A0A3Q0KQB1_SCHMA Loading...

asparaginase

AlphaFold DB , UniProt , Accession A0A3Q0KQB1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 735 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	30.5	Very low	29.2	Very low	240 Å²	240	167.7 Å²	167.7	100%	1.182	86%	0.864	S	S	*	*				0	29.5	0	-137.4	179.6	-74.8	0	0	111.8
2	W	26.8	Very low	28.9	Very low	246 Å²	246	163.4 Å²	163.4	93%	0.932	86%	0.857	S	S	*	*			trans	-121.8	55.5	179.7	-95.2	35.6	0	0	0	109.5
3	A	27.6	Very low	28.8	Very low	97 Å²	97	165.3 Å²	165.3	80%	0.802	85%	0.854	S	S	*	*			trans	-145.3	70.1	-179.8	0	0	0	0	0	110.1
4	S	28.6	Very low	28.8	Very low	97 Å²	97	164.5 Å²	164.5	68%	0.678	85%	0.849	S	S	*	*			trans	-174.6	104	155.9	55.7	0	0	0	0	107.9
5	F	31.8	Very low	28.9	Very low	214 Å²	214	161.7 Å²	161.7	94%	0.939	84%	0.843	S	S	*	*			trans	165.8	58.8	144.8	-83.5	-62.7	0	0	0	107.7
6	S	29.6	Very low	28.9	Very low	107 Å²	107	162.1 Å²	162.1	75%	0.748	84%	0.839	S	S	*	*			trans	-96.4	132.2	153	76	0	0	0	0	107.7
7	K	28.8	Very low	29	Very low	196 Å²	196	159 Å²	159	85%	0.852	82%	0.824	S	S	*	*			trans	54	103	157.5	-66.1	-177.6	174.9	-176.9	0	116.8
8	K	31.4	Very low	29.2	Very low	206 Å²	206	157.6 Å²	157.6	90%	0.896	81%	0.813	S	S	*	*			trans	-137.9	127.8	133.3	-84.7	-165.3	177.1	178.4	0	109.8
9	D	28.5	Very low	29.5	Very low	147 Å²	147	158.5 Å²	158.5	79%	0.786	81%	0.81	S	S	*	*			trans	-60.8	137.6	177.5	-52.5	-71.9	0	0	0	111.8
10	T	31.5	Very low	29.8	Very low	138 Å²	138	154.2 Å²	154.2	85%	0.847	80%	0.795	S	S	*	*			trans	-137.1	101.1	144.5	36.9	0	0	0	0	108.1	C12	T10-C12 PolarHBondContact O-N 3.05Å; T10-C12 VanDerWaalsContact O-N 3.07Å
11	D	25.9	Very low	30	Very low	157 Å²	157	150.9 Å²	150.9	84%	0.84	79%	0.785	S	S	*	*			trans	-48.2	107.7	162.3	-80.7	-47.9	0	0	0	110.1
12	C	26.2	Very low	30.2	Very low	116 Å²	116	147 Å²	147	78%	0.784	76%	0.762	S	S	*	*			trans	-116.7	93.5	159.2	-146.9	0	0	0	0	107.4	T10 I14	T10-C12 PolarHBondContact O-N 3.05Å; T10-C12 VanDerWaalsContact O-N 3.07Å; C12-I14 PolarHBondContact O-N 3.4Å
13	K	26.7	Very low	30.7	Very low	188 Å²	188	143.5 Å²	143.5	82%	0.817	75%	0.754	S	S	*	*			trans	-60.3	97.2	170.5	-77.7	178.3	174.8	174.5	0	108.5	T15	K13-T15 VanDerWaalsContact C-N 3.34Å; K13-T15 PolarHBondContact O-N 3.03Å; K13-T15 VanDerWaalsContact O-N 3.08Å
14	I	28.8	Very low	31.1	Very low	154 Å²	154	144.2 Å²	144.2	79%	0.79	74%	0.742	S	S	*	*			trans	-71.2	99.5	159.5	-61.6	175	0	0	0	105.6	C12 Q16	C12-I14 PolarHBondContact O-N 3.4Å; I14-Q16 PolarHBondContact O-N 3.49Å; I14-Q16 VanDerWaalsContact O-N 3.12Å
15	T	31.3	Very low	31.3	Very low	123 Å²	123	142.9 Å²	142.9	76%	0.755	73%	0.733	S	S	*	*			trans	-56.7	114	166.8	43	0	0	0	0	108.4	K13 D17	K13-T15 VanDerWaalsContact C-N 3.34Å; K13-T15 PolarHBondContact O-N 3.03Å; K13-T15 VanDerWaalsContact O-N 3.08Å; T15-D17 PolarHBondContact O-N 2.95Å
16	Q	27.9	Very low	31.4	Very low	168 Å²	168	135.6 Å²	135.6	79%	0.785	71%	0.708	S	S	*	*			trans	-57.3	104.1	169.4	-75.4	175.3	-38.2	0	0	109.1	I14 E18	I14-Q16 PolarHBondContact O-N 3.49Å; I14-Q16 VanDerWaalsContact O-N 3.12Å; Q16-E18 VanDerWaalsContact C-N 3.34Å; Q16-E18 HydrophobicContact CB-CG 4.44Å; Q16-E18 PolarHBondContact O-N 3.2Å
17	D	30.9	Very low	31.6	Very low	109 Å²	109	139.9 Å²	139.9	58%	0.583	71%	0.709	S	S	*	*			trans	-84.6	85	163.9	-157.5	-2.7	0	0	0	108.4	T15 K19 S20	T15-D17 PolarHBondContact O-N 2.95Å; D17-K19 PolarHBondContact O-N 3.33Å; D17-S20 PolarHBondContact O-N 3.47Å
18	E	32.2	Very low	31.9	Very low	133 Å²	133	136.3 Å²	136.3	62%	0.621	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-2.1	-180	-76.9	-169.7	136.8	0	0	114.2	Q16	Q16-E18 VanDerWaalsContact C-N 3.34Å; Q16-E18 HydrophobicContact CB-CG 4.44Å; Q16-E18 PolarHBondContact O-N 3.2Å
19	K	36.1	Very low	32	Very low	175 Å²	175	133.1 Å²	133.1	76%	0.761	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-20.5	178.4	-75.2	-179.4	177.6	175.4	0	114.3	D17	D17-K19 PolarHBondContact O-N 3.33Å
20	S	35	Very low	32.3	Very low	72 Å²	72	133 Å²	133	50%	0.503	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.6	-32.7	-178.8	-58.4	0	0	0	0	112.9	D17 K22 K23	D17-S20 PolarHBondContact O-N 3.47Å; S20-K22 VanDerWaalsContact C-N 3.29Å; S20-K22 PolarHBondContact O-N 3.25Å; S20-K23 PolarHBondContact O-N 3.43Å
21	S	33.9	Very low	32.6	Very low	85 Å²	85	132.5 Å²	132.5	59%	0.594	68%	0.678	S	S	*	*	H	α-helix	trans	-68.6	-22.7	174	-85.3	0	0	0	0	114	C25	S21-C25 PolarHBondContact O-N 3.37Å; S21-C25 PolarHBondContact O-SG 3.07Å
22	K	35.7	Very low	32.9	Very low	159 Å²	159	133.8 Å²	133.8	69%	0.691	68%	0.676	S	S	*	*	H	α-helix	trans	-77.5	-22	178.4	-78.8	179.3	177.3	169.2	0	114	S20	S20-K22 VanDerWaalsContact C-N 3.29Å; S20-K22 PolarHBondContact O-N 3.25Å
23	K	36.8	Very low	33	Very low	173 Å²	173	137.1 Å²	137.1	75%	0.752	68%	0.677	S	S	*	*	H	α-helix	trans	-81.9	-36.2	174	-91.7	-178.1	173.8	-179.2	0	112.6	S20 S26	S20-K23 PolarHBondContact O-N 3.43Å; K23-S26 PolarHBondContact O-N 3.28Å; K23-S26 PolarHBondContact O-OG 2.74Å
24	I	35	Very low	33.2	Very low	111 Å²	111	134.1 Å²	134.1	57%	0.569	68%	0.677	S	S	*	*	H	α-helix	trans	-71.2	-35.3	178.6	-62	172.5	0	0	0	111.3	S26 Y27	I24-S26 VanDerWaalsContact C-N 3.27Å; I24-S26 PolarHBondContact O-N 3.43Å; I24-Y27 PolarHBondContact O-N 2.85Å
25	C	34.2	Very low	33.1	Very low	70 Å²	70	130.9 Å²	130.9	47%	0.473	67%	0.673	S	S	.	*	H	α-helix	trans	-65.4	-26.3	172.4	-76.7	0	0	0	0	113.8	S21 Q29	S21-C25 PolarHBondContact O-N 3.37Å; S21-C25 PolarHBondContact O-SG 3.07Å; C25-Q29 WeakPolarHBondContact O-CB 3.35Å; C25-Q29 WeakPolarHBondContact O-CG 3.21Å; C25-Q29 PolarHBondContact O-N 2.97Å
26	S	33.7	Very low	33	Very low	61 Å²	61	131.5 Å²	131.5	43%	0.427	68%	0.676	S	S	.	*	H	α-helix	trans	-76.8	-22.9	-178.9	74.3	0	0	0	0	114	K23 I24	K23-S26 PolarHBondContact O-N 3.28Å; K23-S26 PolarHBondContact O-OG 2.74Å; I24-S26 VanDerWaalsContact C-N 3.27Å; I24-S26 PolarHBondContact O-N 3.43Å
27	Y	33.1	Very low	33.1	Very low	196 Å²	196	131 Å²	131	77%	0.769	68%	0.677	S	S	*	*	H	α-helix	trans	-84.4	-32.4	178.7	-137.2	-97	0	0	0	112	I24	I24-Y27 PolarHBondContact O-N 2.85Å
28	L	34.7	Very low	33	Very low	122 Å²	122	132.6 Å²	132.6	64%	0.639	69%	0.686	S	S	*	*	H	α-helix	trans	-83.6	-20.6	177.1	-67.7	170.6	0	0	0	113.5	N30	L28-N30 VanDerWaalsContact C-N 3.34Å
29	Q	34.4	Very low	32.7	Very low	138 Å²	138	135.9 Å²	135.9	65%	0.645	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-78	-14.7	176.6	-79.1	176	-12.1	0	0	114.2	C25 I31	C25-Q29 WeakPolarHBondContact O-CB 3.35Å; C25-Q29 WeakPolarHBondContact O-CG 3.21Å; C25-Q29 PolarHBondContact O-N 2.97Å; Q29-I31 VanDerWaalsContact C-N 3.31Å; Q29-I31 PolarHBondContact O-N 3.22Å
30	N	34.1	Very low	32.2	Very low	144 Å²	144	133.6 Å²	133.6	77%	0.77	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-83.9	0.8	176	-80.8	-27	0	0	0	114.7	L28	L28-N30 VanDerWaalsContact C-N 3.34Å
31	I	37.2	Very low	31.8	Very low	129 Å²	129	137.6 Å²	137.6	66%	0.662	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-89.3	-6.3	173.9	-56.8	176.5	0	0	0	111.2	Q29 K33	Q29-I31 VanDerWaalsContact C-N 3.31Å; Q29-I31 PolarHBondContact O-N 3.22Å; I31-K33 PolarHBondContact O-N 3.3Å
32	K	33.2	Very low	31.2	Very low	184 Å²	184	143.2 Å²	143.2	80%	0.8	73%	0.727	S	S	*	*			trans	-93.2	64.4	175	-72.5	-171.8	176.1	-177.5	0	112.7
33	K	28.6	Very low	30.8	Very low	186 Å²	186	144.4 Å²	144.4	81%	0.809	73%	0.727	S	S	*	*			trans	-142.9	114.6	151	-87.4	-171.1	179.8	176	0	108.3	I31 A35	I31-K33 PolarHBondContact O-N 3.3Å; K33-A35 PolarHBondContact O-N 3.02Å; K33-A35 VanDerWaalsContact O-N 3.07Å
34	P	29.6	Very low	30.3	Very low	125 Å²	125	139.8 Å²	139.8	81%	0.812	72%	0.717	S	S	*	*			trans	-63.7	115.9	165.9	29.1	-31.4	0	0	0	106.3	T36	P34-T36 PolarHBondContact O-N 3.48Å
35	A	28.7	Very low	30.1	Very low	86 Å²	86	142.6 Å²	142.6	71%	0.711	73%	0.733	S	S	*	*			trans	-60.9	112.5	165.6	0	0	0	0	0	106.5	K33 I37	K33-A35 PolarHBondContact O-N 3.02Å; K33-A35 VanDerWaalsContact O-N 3.07Å; A35-I37 VanDerWaalsContact C-N 3.27Å; A35-I37 PolarHBondContact O-N 3.28Å
36	T	28.5	Very low	29.9	Very low	135 Å²	135	143.3 Å²	143.3	83%	0.828	74%	0.738	S	S	*	*			trans	-56.9	94.2	164.2	31.1	0	0	0	0	107.9	P34 N38	P34-T36 PolarHBondContact O-N 3.48Å; T36-N38 PolarHBondContact O-N 3.16Å
37	I	29.5	Very low	29.6	Very low	157 Å²	157	145.1 Å²	145.1	81%	0.805	75%	0.747	S	S	*	*			trans	-75.4	120.1	164.7	-64.9	174.6	0	0	0	105.9	A35 K39	A35-I37 VanDerWaalsContact C-N 3.27Å; A35-I37 PolarHBondContact O-N 3.28Å; I37-K39 PolarHBondContact O-N 3.08Å
38	N	28.3	Very low	29.6	Very low	143 Å²	143	140.2 Å²	140.2	77%	0.765	75%	0.747	S	S	*	*			trans	-54.5	131.5	178	-79.6	-32.3	0	0	0	110.5	T36 T40	T36-N38 PolarHBondContact O-N 3.16Å; N38-T40 PolarHBondContact O-N 3.12Å
39	K	26.3	Very low	29.8	Very low	202 Å²	202	135.8 Å²	135.8	88%	0.878	73%	0.726	S	S	*	*	S	Bend	trans	-60.9	100.6	166.6	-71.9	177.8	173.5	-178.8	0	108.9	I37	I37-K39 PolarHBondContact O-N 3.08Å
40	T	25.9	Very low	29.9	Very low	128 Å²	128	133.8 Å²	133.8	79%	0.785	72%	0.715	S	S	*	*			trans	171.8	81.8	148.8	44	0	0	0	0	108.1	N38	N38-T40 PolarHBondContact O-N 3.12Å
41	E	25.7	Very low	30.4	Very low	156 Å²	156	131.7 Å²	131.7	73%	0.729	71%	0.707	S	S	*	*			trans	-168.5	103.1	153.4	-107.5	172.3	-155.6	0	0	105.5	W43	E41-W43 VanDerWaalsContact C-N 3.28Å; E41-W43 PolarHBondContact O-N 3.4Å; E41-W43 PolarHBondContact OE2-NE1 3.24Å; E41-W43 VanDerWaalsContact OE2-NE1 3.08Å
42	E	22.7	Very low	31.5	Very low	203 Å²	203	127.3 Å²	127.3	95%	0.949	69%	0.694	S	S	*	*			trans	-66	93.1	166.6	-77.2	174.3	150.5	0	0	107	S44	E42-S44 PolarHBondContact O-N 2.95Å; E42-S44 VanDerWaalsContact O-N 3.16Å
43	W	27.4	Very low	33.6	Very low	183 Å²	183	120.1 Å²	120.1	69%	0.693	67%	0.667	S	S	*	*			trans	-71.6	106.1	164.2	-75.9	64.2	0	0	0	106	E41 D45	E41-W43 VanDerWaalsContact C-N 3.28Å; E41-W43 PolarHBondContact O-N 3.4Å; E41-W43 PolarHBondContact OE2-NE1 3.24Å; E41-W43 VanDerWaalsContact OE2-NE1 3.08Å; W43-D45 PolarHBondContact O-N 3.43Å
44	S	26.3	Very low	36.3	Very low	76 Å²	76	111.5 Å²	111.5	53%	0.531	63%	0.63	S	S	.	*			trans	-52.3	138.1	173.4	56.2	0	0	0	0	109.5	E42 S46	E42-S44 PolarHBondContact O-N 2.95Å; E42-S44 VanDerWaalsContact O-N 3.16Å; S44-S46 PolarHBondContact O-N 2.7Å; S44-S46 PolarHBondContact OG-OG 3.12Å
45	D	29.7	Very low	39	Very low	171 Å²	171	107.8 Å²	107.8	91%	0.914	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	14.3	179.7	-74	-38.7	0	0	0	115.1	W43	W43-D45 PolarHBondContact O-N 3.43Å
46	S	29.3	Very low	41.7	Very low	84 Å²	84	104 Å²	104	59%	0.587	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	1.3	-169.3	64.9	0	0	0	0	115.3	S44	S44-S46 PolarHBondContact O-N 2.7Å; S44-S46 PolarHBondContact OG-OG 3.12Å
47	V	29.1	Very low	44.4	Very low	100 Å²	100	100.4 Å²	100.4	61%	0.606	55%	0.546	S	S	*	.	S	Bend	trans	-104.9	2.3	-171.8	-167.8	0	0	0	0	113.7
48	A	31.8	Very low	47	Very low	92 Å²	92	93.7 Å²	93.7	76%	0.76	51%	0.511	S	S	*	.	S	Bend	trans	-93.4	-2.3	-172.5	0	0	0	0	0	115.9
49	S	39.2	Very low	49.6	Very low	29 Å²	29	89.2 Å²	89.2	20%	0.203	49%	0.491	C	S	.	.	S	Bend	trans	-101.9	-2.9	-158.5	77.3	0	0	0	0	117.2	N99 H160	S49-N99 WeakPolarHBondContact CB-ND2 3.42Å; S49-H160 WeakPolarHBondContact CB-ND1 3.3Å; S49-H160 PolarHBondContact OG-CE1 3.36Å; S49-H160 PolarHBondContact OG-ND1 3.12Å
50	F	37.2	Very low	52.6	Low	96 Å²	96	79.8 Å²	79.8	42%	0.421	45%	0.45	S	S	.	.	S	Bend	trans	-144.5	81.8	172.3	-167.8	-107.9	0	0	0	114.5	E157	F50-E157 HydrophobicContact CD1-CB 4.37Å; F50-E157 WeakPolarHBondContact CD2-O 3.48Å; F50-E157 HydrophobicContact CE1-CB 3.68Å; F50-E157 HydrophobicContact CE1-CG 3.78Å; F50-E157 HydrophobicContact CE2-CB 3.99Å; F50-E157 HydrophobicContact CE2-CG 4.4Å; F50-E157 WeakPolarHBondContact CE2-O 3.31Å; F50-E157 WeakPolarHBondContact CG-O 3.31Å; F50-E157 HydrophobicContact CZ-CB 3.5Å; F50-E157 VanDerWaalsContact CZ-CB 3.5Å; F50-E157 HydrophobicContact CZ-CG 3.53Å
51	V	44.2	Very low	55.6	Low	100 Å²	100	74.1 Å²	74.1	61%	0.606	42%	0.415	S	S	*	.	S	Bend	trans	-157.1	62	151.2	-165.8	0	0	0	0	108.8	L128	V51-L128 HydrophobicContact CB-CD2 3.81Å; V51-L128 HydrophobicContact CG1-CD2 3.63Å; V51-L128 HydrophobicContact CG2-CD2 4Å
52	G	59.2	Low	58.5	Low	37 Å²	37	68 Å²	68	38%	0.381	39%	0.388	S	S	.	.			trans	-130.3	131	-172.6	0	0	0	0	0	114	I161	G52-I161 WeakPolarHBondContact O-CD1 3.21Å
53	S	77.3	Confident	61.7	Low	33 Å²	33	61 Å²	61	23%	0.231	36%	0.357	C	S	.	.			trans	-81	141.8	150.7	175	0	0	0	0	106.5	M55	S53-M55 PolarHBondContact O-N 3.21Å; S53-M55 WeakPolarHBondContact OG-CB 3.45Å; S53-M55 WeakPolarHBondContact OG-CG 3.26Å; S53-M55 PolarHBondContact OG-N 3.45Å
54	P	86.1	Confident	64.8	Low	5 Å²	5	52.3 Å²	52.3	3%	0.032	32%	0.324	C	S	.	.	S	Bend	trans	-65.9	-17	175.2	29.5	-36.3	0	0	0	112.3	L77 L155 I161 T178 V180 F206 F210	P54-L77 HydrophobicContact CB-CD1 3.93Å; P54-L155 HydrophobicContact CG-CD1 3.78Å; P54-I161 HydrophobicContact CB-CG2 4.43Å; P54-T178 HydrophobicContact CB-CG2 4.12Å; P54-T178 VanDerWaalsContact O-CB 3.26Å; P54-T178 WeakPolarHBondContact O-CB 3.27Å; P54-T178 WeakPolarHBondContact O-CG2 3.43Å; P54-T178 PolarHBondContact O-OG1 3.35Å; P54-V180 HydrophobicContact CB-CG2 3.91Å; P54-F206 HydrophobicContact CG-CD1 3.9Å; P54-F206 HydrophobicContact CG-CD2 4.08Å; P54-F206 HydrophobicContact CG-CE1 3.39Å; P54-F206 HydrophobicContact CG-CE2 3.61Å; P54-F206 HydrophobicContact CG-CG 4.24Å; P54-F206 HydrophobicContact CG-CZ 3.25Å; P54-F210 WeakPolarHBondContact O-CZ 3.49Å
55	M	85.7	Confident	67.9	Low	48 Å²	48	52 Å²	52	24%	0.236	32%	0.316	C	S	.	.			trans	-58.3	135.9	-176.2	-66.7	-178.3	65.9	0	0	113	S53 F148 F206 E209	S53-M55 PolarHBondContact O-N 3.21Å; S53-M55 WeakPolarHBondContact OG-CB 3.45Å; S53-M55 WeakPolarHBondContact OG-CG 3.26Å; S53-M55 PolarHBondContact OG-N 3.45Å; M55-F148 HydrophobicContact SD-CD1 3.47Å; M55-F148 WeakPolarHBondContact SD-CD1 3.49Å; M55-F148 HydrophobicContact SD-CE1 3.49Å; M55-F148 WeakPolarHBondContact SD-CE1 3.45Å; M55-F206 HydrophobicContact CG-CD1 4.42Å; M55-E209 HydrophobicContact CE-CG 3.7Å; M55-E209 HydrophobicContact CG-CG 4.35Å; M55-E209 HydrophobicContact SD-CG 4.29Å
56	I	87.2	Confident	70.7	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.031	31%	0.306	C	S	.	.			trans	-93.6	106.5	170.3	-58.8	173.5	0	0	0	107	L60 V61 R75 T163 L176 T178 F210	I56-L60 HydrophobicContact CG2-CD2 4.16Å; I56-V61 HydrophobicContact CG2-CG2 4.22Å; I56-R75 HydrophobicContact CB-CG 4.07Å; I56-R75 HydrophobicContact CD1-CB 4.16Å; I56-R75 HydrophobicContact CD1-CG 4.16Å; I56-R75 HydrophobicContact CG2-CG 4.15Å; I56-T163 HydrophobicContact CD1-CG2 4.22Å; I56-T163 HydrophobicContact CG1-CG2 4.03Å; I56-L176 HydrophobicContact CD1-CB 3.82Å; I56-L176 HydrophobicContact CG2-CB 4.26Å; I56-L176 HydrophobicContact CG2-CD1 3.84Å; I56-T178 VanDerWaalsContact CG1-OG1 3.29Å; I56-T178 WeakPolarHBondContact CG1-OG1 3.42Å; I56-F210 HydrophobicContact CD1-CE1 3.97Å; I56-F210 HydrophobicContact CG1-CE1 4.18Å
57	D	84	Confident	73.7	Confident	60 Å²	60	50.1 Å²	50.1	32%	0.321	29%	0.291	S	S	.	.			trans	-60.4	141.1	-178.1	-168.2	-73.6	0	0	0	111.2	S59 L60 V61 F123	D57-S59 PolarHBondContact O-N 3.41Å; D57-S59 VanDerWaalsContact OD1-CB 3.32Å; D57-S59 WeakPolarHBondContact OD1-CB 3.4Å; D57-S59 PolarHBondContact OD1-N 2.96Å; D57-S59 PolarHBondContact OD1-OG 3.1Å; D57-L60 WeakPolarHBondContact O-CB 3.32Å; D57-L60 PolarHBondContact O-N 3.07Å; D57-V61 PolarHBondContact O-N 3.06Å; D57-F123 HydrophobicContact CB-CE1 3.75Å; D57-F123 HydrophobicContact CB-CZ 3.61Å
58	Q	84.1	Confident	76.6	Confident	15 Å²	15	51.3 Å²	51.3	7%	0.07	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-29.5	-179.5	-176.3	61.9	39.9	0	0	112.8	L60 V61 D62 E618	Q58-L60 VanDerWaalsContact C-N 3.28Å; Q58-L60 PolarHBondContact O-N 2.83Å; Q58-V61 CarbonylContact O-C 3.57Å; Q58-V61 WeakPolarHBondContact O-CA 3.46Å; Q58-V61 VanDerWaalsContact O-CB 3.31Å; Q58-V61 WeakPolarHBondContact O-CB 3.45Å; Q58-V61 PolarHBondContact O-N 2.74Å; Q58-V61 VanDerWaalsContact O-N 3.08Å; Q58-D62 PolarHBondContact NE2-OD1 3.26Å; Q58-D62 VanDerWaalsContact O-CG 3.24Å; Q58-D62 PolarHBondContact O-N 3.49Å; Q58-E618 HydrophobicContact CB-CB 3.84Å; Q58-E618 HydrophobicContact CG-CB 3.99Å; Q58-E618 WeakPolarHBondContact CG-O 3.39Å
59	S	83.4	Confident	79.4	Confident	50 Å²	50	54.9 Å²	54.9	35%	0.35	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-30.8	175.8	58.4	0	0	0	0	113.4	D57 L63 F123	D57-S59 PolarHBondContact O-N 3.41Å; D57-S59 VanDerWaalsContact OD1-CB 3.32Å; D57-S59 WeakPolarHBondContact OD1-CB 3.4Å; D57-S59 PolarHBondContact OD1-N 2.96Å; D57-S59 PolarHBondContact OD1-OG 3.1Å; S59-L63 WeakPolarHBondContact O-CB 3.22Å; S59-L63 PolarHBondContact O-N 3.32Å; S59-F123 WeakPolarHBondContact OG-CE2 3.41Å; S59-F123 WeakPolarHBondContact OG-CZ 3.2Å
60	L	88.7	Confident	82	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-71.8	-35.5	172.2	-177.1	61.2	0	0	0	111.3	I56 D57 Q58 L63 A64 F116 I120 T163 L176	I56-L60 HydrophobicContact CG2-CD2 4.16Å; D57-L60 WeakPolarHBondContact O-CB 3.32Å; D57-L60 PolarHBondContact O-N 3.07Å; Q58-L60 VanDerWaalsContact C-N 3.28Å; Q58-L60 PolarHBondContact O-N 2.83Å; L60-L63 HydrophobicContact CD1-CD2 4.38Å; L60-L63 PolarHBondContact O-N 3.27Å; L60-A64 PolarHBondContact O-N 3.16Å; L60-F116 HydrophobicContact CD1-CE1 3.93Å; L60-F116 HydrophobicContact CD1-CZ 3.93Å; L60-F116 HydrophobicContact CG-CE1 4.45Å; L60-I120 HydrophobicContact CD1-CG1 4.05Å; L60-I120 HydrophobicContact CD2-CG1 4.05Å; L60-T163 HydrophobicContact CD2-CG2 4.48Å; L60-L176 HydrophobicContact CD2-CD1 4.45Å; L60-L176 HydrophobicContact CG-CD1 4.19Å
61	V	89.6	Confident	84.5	Confident	8 Å²	8	55.4 Å²	55.4	5%	0.048	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-46.1	171.8	176	0	0	0	0	110.8	I56 D57 Q58 L63 A64 L65 V73 R75 L176	I56-V61 HydrophobicContact CG2-CG2 4.22Å; D57-V61 PolarHBondContact O-N 3.06Å; Q58-V61 CarbonylContact O-C 3.57Å; Q58-V61 WeakPolarHBondContact O-CA 3.46Å; Q58-V61 VanDerWaalsContact O-CB 3.31Å; Q58-V61 WeakPolarHBondContact O-CB 3.45Å; Q58-V61 PolarHBondContact O-N 2.74Å; Q58-V61 VanDerWaalsContact O-N 3.08Å; V61-L63 VanDerWaalsContact C-N 3.28Å; V61-L63 PolarHBondContact O-N 3.2Å; V61-A64 WeakPolarHBondContact O-CB 3.49Å; V61-A64 PolarHBondContact O-N 3.45Å; V61-A64 VanDerWaalsContact O-N 3.15Å; V61-L65 HydrophobicContact CG1-CD1 4.1Å; V61-L65 WeakPolarHBondContact O-CG 3.34Å; V61-L65 PolarHBondContact O-N 2.69Å; V61-V73 HydrophobicContact CG1-CB 3.88Å; V61-V73 HydrophobicContact CG1-CG1 4.02Å; V61-V73 HydrophobicContact CG1-CG2 4.28Å; V61-V73 HydrophobicContact CG2-CG1 4.31Å; V61-R75 HydrophobicContact CG2-CG 4.22Å; V61-L176 HydrophobicContact CG2-CD1 4.24Å
62	D	86.9	Confident	86.7	Confident	27 Å²	27	52.2 Å²	52.2	14%	0.144	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-36.7	177.8	-65.2	-12.9	0	0	0	111	Q58 L65 K66 Q620	Q58-D62 PolarHBondContact NE2-OD1 3.26Å; Q58-D62 VanDerWaalsContact O-CG 3.24Å; Q58-D62 PolarHBondContact O-N 3.49Å; D62-L65 PolarHBondContact O-N 3.07Å; D62-K66 WeakPolarHBondContact O-CG 3.47Å; D62-K66 PolarHBondContact O-N 3.37Å; D62-K66 VanDerWaalsContact O-N 3.12Å; D62-Q620 WeakPolarHBondContact OD2-CG 3.38Å; D62-Q620 PolarHBondContact OD2-NE2 3.31Å
63	L	89.9	Confident	88.3	Confident	57 Å²	57	51.2 Å²	51.2	30%	0.298	27%	0.272	S	S	.	.	H	α-helix	trans	-64.4	-41.7	173.4	-176.8	62.3	0	0	0	112.2	S59 L60 V61 K66 F116 H119	S59-L63 WeakPolarHBondContact O-CB 3.22Å; S59-L63 PolarHBondContact O-N 3.32Å; L60-L63 HydrophobicContact CD1-CD2 4.38Å; L60-L63 PolarHBondContact O-N 3.27Å; V61-L63 VanDerWaalsContact C-N 3.28Å; V61-L63 PolarHBondContact O-N 3.2Å; L63-K66 PolarHBondContact O-N 2.93Å; L63-F116 HydrophobicContact CG-CE2 4.4Å; L63-H119 HydrophobicContact CD2-CB 3.73Å
64	A	92.2	Very high	89.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-44.1	173.7	0	0	0	0	0	111.8	L60 V61 K66 I67 C70 V73 F116	L60-A64 PolarHBondContact O-N 3.16Å; V61-A64 WeakPolarHBondContact O-CB 3.49Å; V61-A64 PolarHBondContact O-N 3.45Å; V61-A64 VanDerWaalsContact O-N 3.15Å; A64-K66 PolarHBondContact O-N 3.47Å; A64-I67 VanDerWaalsContact O-CB 3.3Å; A64-I67 WeakPolarHBondContact O-CB 3.47Å; A64-I67 WeakPolarHBondContact O-CG1 3.45Å; A64-I67 PolarHBondContact O-N 3.49Å; A64-I67 VanDerWaalsContact O-N 3.07Å; A64-C70 WeakPolarHBondContact O-CB 3.41Å; A64-V73 HydrophobicContact CB-CG2 3.74Å; A64-F116 HydrophobicContact CB-CE1 4.38Å; A64-F116 HydrophobicContact CB-CE2 3.99Å; A64-F116 HydrophobicContact CB-CZ 3.62Å
65	L	90.4	Very high	89.6	Confident	71 Å²	71	50.5 Å²	50.5	37%	0.372	26%	0.264	S	S	.	.	H	α-helix	trans	-66.2	-21.5	179.1	-70.5	170.4	0	0	0	113.8	V61 D62 I67 V73	V61-L65 HydrophobicContact CG1-CD1 4.1Å; V61-L65 WeakPolarHBondContact O-CG 3.34Å; V61-L65 PolarHBondContact O-N 2.69Å; D62-L65 PolarHBondContact O-N 3.07Å; L65-I67 PolarHBondContact O-N 2.92Å; L65-V73 HydrophobicContact CD2-CG2 3.84Å; L65-V73 HydrophobicContact CG-CG2 3.89Å
66	K	89.9	Confident	90.2	Very high	164 Å²	164	48.2 Å²	48.2	71%	0.713	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-14.4	172.5	-74.6	169.9	-174.3	174.8	0	113.3	D62 L63 A64 P68	D62-K66 WeakPolarHBondContact O-CG 3.47Å; D62-K66 PolarHBondContact O-N 3.37Å; D62-K66 VanDerWaalsContact O-N 3.12Å; L63-K66 PolarHBondContact O-N 2.93Å; A64-K66 PolarHBondContact O-N 3.47Å; K66-P68 WeakPolarHBondContact O-CD 3.28Å
67	I	91.4	Very high	90.7	Very high	50 Å²	50	47.9 Å²	47.9	26%	0.256	25%	0.251	S	S	.	.	S	Bend	trans	-73.7	122.5	175.7	-60.8	173.7	0	0	0	108.3	A64 L65 K69 C70 F116 I168	A64-I67 VanDerWaalsContact O-CB 3.3Å; A64-I67 WeakPolarHBondContact O-CB 3.47Å; A64-I67 WeakPolarHBondContact O-CG1 3.45Å; A64-I67 PolarHBondContact O-N 3.49Å; A64-I67 VanDerWaalsContact O-N 3.07Å; L65-I67 PolarHBondContact O-N 2.92Å; I67-K69 PolarHBondContact O-N 3.32Å; I67-C70 HydrophobicContact CB-CB 4.06Å; I67-C70 WeakPolarHBondContact O-CB 3.36Å; I67-C70 PolarHBondContact O-N 3.38Å; I67-F116 HydrophobicContact CD1-CD2 3.56Å; I67-F116 HydrophobicContact CD1-CE2 3.76Å; I67-I168 HydrophobicContact CG2-CD1 4.11Å
68	P	89.6	Confident	91.4	Very high	125 Å²	125	45 Å²	45	81%	0.812	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.6	-171.4	-29.4	35.1	0	0	0	116.3	K66	K66-P68 WeakPolarHBondContact O-CD 3.28Å
69	K	91.5	Very high	92.1	Very high	167 Å²	167	44.4 Å²	44.4	73%	0.726	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-13.8	177.6	-65.2	-177.2	179.9	177.7	0	113.7	I67 I168 G172	I67-K69 PolarHBondContact O-N 3.32Å; K69-I168 HydrophobicContact CB-CD1 4.1Å; K69-G172 WeakPolarHBondContact O-CA 3.21Å
70	C	92.8	Very high	92.8	Very high	6 Å²	6	42 Å²	42	4%	0.041	22%	0.216	C	C	.	.			trans	-92.8	101.8	-175.9	-168.7	0	0	0	0	109.6	A64 I67 I168 G172	A64-C70 WeakPolarHBondContact O-CB 3.41Å; I67-C70 HydrophobicContact CB-CB 4.06Å; I67-C70 WeakPolarHBondContact O-CB 3.36Å; I67-C70 PolarHBondContact O-N 3.38Å; C70-I168 HydrophobicContact CB-CD1 3.84Å; C70-G172 CarbonylContact C-O 3.6Å; C70-G172 WeakPolarHBondContact CA-O 3.46Å
71	L	89.6	Confident	93.2	Very high	130 Å²	130	42.1 Å²	42.1	68%	0.681	22%	0.217	S	C	*	.			trans	-87.7	-27.5	180	-58	-177.1	0	0	0	112.5	G172	L71-G172 PolarHBondContact N-O 2.69Å
72	S	90.4	Very high	93.5	Very high	33 Å²	33	41.8 Å²	41.8	23%	0.231	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	156.6	177.3	62.3	0	0	0	0	111.9	G172 H173 R174	S72-G172 PolarHBondContact N-O 3.34Å; S72-H173 WeakPolarHBondContact O-CA 3.44Å; S72-H173 PolarHBondContact O-ND1 2.96Å; S72-H173 PolarHBondContact OG-ND1 3.16Å; S72-R174 PolarHBondContact O-N 3.32Å
73	V	93.2	Very high	94	Very high	17 Å²	17	40.5 Å²	40.5	10%	0.103	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.8	-179.8	-179.7	0	0	0	0	109.5	V61 A64 L65 R174 L176	V61-V73 HydrophobicContact CG1-CB 3.88Å; V61-V73 HydrophobicContact CG1-CG1 4.02Å; V61-V73 HydrophobicContact CG1-CG2 4.28Å; V61-V73 HydrophobicContact CG2-CG1 4.31Å; A64-V73 HydrophobicContact CB-CG2 3.74Å; L65-V73 HydrophobicContact CD2-CG2 3.84Å; L65-V73 HydrophobicContact CG-CG2 3.89Å; V73-R174 CarbonylContact C-O 3.55Å; V73-R174 VanDerWaalsContact CA-O 3.23Å; V73-R174 WeakPolarHBondContact CA-O 3.46Å; V73-R174 HydrophobicContact CG2-CB 4.4Å; V73-L176 HydrophobicContact CG1-CD1 3.89Å; V73-L176 HydrophobicContact CG1-CG 3.82Å
74	S	94.7	Very high	94.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	152.4	166.6	-68.3	0	0	0	0	110.6	H173 R174 L176 D211 G268 K270	S74-H173 PolarHBondContact N-CE1 3.02Å; S74-H173 PolarHBondContact OG-CE1 3.12Å; S74-H173 PolarHBondContact OG-NE2 3.34Å; S74-H173 VanDerWaalsContact OG-NE2 3.1Å; S74-R174 PolarHBondContact N-O 3.26Å; S74-L176 PolarHBondContact O-N 2.81Å; S74-D211 VanDerWaalsContact CA-OD2 3.25Å; S74-D211 WeakPolarHBondContact CA-OD2 3.24Å; S74-G268 WeakPolarHBondContact CB-O 2.79Å; S74-G268 PolarHBondContact OG-O 2.92Å; S74-K270 VanDerWaalsContact OG-CE 3.29Å; S74-K270 WeakPolarHBondContact OG-CE 3.37Å
75	R	96.1	Very high	94.5	Very high	21 Å²	21	39.5 Å²	39.5	8%	0.079	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.9	176.5	-67	176.9	-105.6	163.4	-25.1	109.4	I56 V61 L176 E209 F210 D211 N616	I56-R75 HydrophobicContact CB-CG 4.07Å; I56-R75 HydrophobicContact CD1-CB 4.16Å; I56-R75 HydrophobicContact CD1-CG 4.16Å; I56-R75 HydrophobicContact CG2-CG 4.15Å; V61-R75 HydrophobicContact CG2-CG 4.22Å; R75-L176 CarbonylContact C-O 3.5Å; R75-L176 WeakPolarHBondContact CA-O 3.39Å; R75-E209 PolarHBondContact NH1-O 2.94Å; R75-F210 HydrophobicContact CB-CD1 3.89Å; R75-F210 HydrophobicContact CB-CE1 4.49Å; R75-D211 PolarHBondContact N-OD2 3.28Å; R75-D211 PolarHBondContact O-N 3.15Å; R75-N616 PolarHBondContact NH2-ND2 2.84Å
76	V	98.1	Very high	94.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133	176.9	176.7	0	0	0	0	111	V78 I175 L176 Y177 T178 G212 V214 L264 A267 G268	V76-V78 HydrophobicContact CG1-CG2 4.34Å; V76-I175 HydrophobicContact CB-CG2 4.29Å; V76-I175 HydrophobicContact CG2-CG2 3.75Å; V76-L176 PolarHBondContact N-O 2.99Å; V76-Y177 CarbonylContact O-C 3.56Å; V76-Y177 WeakPolarHBondContact O-CA 3.23Å; V76-Y177 WeakPolarHBondContact O-CB 3.3Å; V76-T178 PolarHBondContact O-N 3.08Å; V76-G212 WeakPolarHBondContact CA-O 2.85Å; V76-V214 HydrophobicContact CG1-CG2 3.89Å; V76-L264 HydrophobicContact CB-CD2 4.49Å; V76-L264 HydrophobicContact CG1-CD2 3.96Å; V76-A267 HydrophobicContact CG1-CB 3.91Å; V76-A267 HydrophobicContact CG2-CB 4.12Å; V76-G268 VanDerWaalsContact CG2-CA 3.46Å
77	L	98.2	Very high	95	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.3	171.1	-178.1	62.4	0	0	0	109.1	P54 L79 V180 F206 F210 G212 F213 V214	P54-L77 HydrophobicContact CB-CD1 3.93Å; L77-L79 HydrophobicContact CD1-CD2 4.49Å; L77-L79 HydrophobicContact CD2-CD2 4.02Å; L77-L79 HydrophobicContact CG-CD2 4.05Å; L77-L79 HydrophobicContact CG-CG 4.46Å; L77-V180 HydrophobicContact CD1-CG2 3.81Å; L77-F206 HydrophobicContact CD2-CB 3.94Å; L77-F206 HydrophobicContact CD2-CD2 3.81Å; L77-F206 HydrophobicContact CD2-CG 4.18Å; L77-F210 HydrophobicContact CB-CB 4.4Å; L77-F210 HydrophobicContact CB-CD1 3.72Å; L77-F210 HydrophobicContact CB-CD2 3.84Å; L77-F210 HydrophobicContact CB-CE1 3.79Å; L77-F210 HydrophobicContact CB-CE2 3.92Å; L77-F210 HydrophobicContact CB-CG 3.72Å; L77-F210 HydrophobicContact CB-CZ 3.88Å; L77-F210 HydrophobicContact CD1-CE1 4.35Å; L77-F210 HydrophobicContact CD1-CE2 4.15Å; L77-F210 HydrophobicContact CD1-CZ 3.84Å; L77-F210 HydrophobicContact CD2-CD2 4.33Å; L77-F210 HydrophobicContact CD2-CE2 4.15Å; L77-F210 HydrophobicContact CG-CE2 4.31Å; L77-F210 HydrophobicContact CG-CZ 4.33Å; L77-G212 PolarHBondContact N-O 3.06Å; L77-G212 VanDerWaalsContact N-O 3.15Å; L77-F213 HydrophobicContact CB-CD1 3.81Å; L77-F213 HydrophobicContact CB-CE1 4.01Å; L77-F213 HydrophobicContact CD2-CD1 4.06Å; L77-F213 HydrophobicContact CD2-CE1 3.95Å; L77-F213 HydrophobicContact CG-CD1 4.37Å; L77-F213 CarbonylContact O-C 3.56Å; L77-F213 WeakPolarHBondContact O-CA 3.32Å; L77-V214 PolarHBondContact O-N 2.9Å
78	V	98.6	Very high	95.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.1	175.9	-173.3	0	0	0	0	108.4	V76 Y177 T178 V179 V180 V214 L216 F260 L264	V76-V78 HydrophobicContact CG1-CG2 4.34Å; V78-Y177 HydrophobicContact CG2-CD2 3.76Å; V78-Y177 HydrophobicContact CG2-CG 4.43Å; V78-T178 PolarHBondContact N-O 3.03Å; V78-V179 HydrophobicContact CB-CB 4.33Å; V78-V179 HydrophobicContact CB-CG1 4.32Å; V78-V179 HydrophobicContact CB-CG2 4.01Å; V78-V179 HydrophobicContact CG1-CG1 4.27Å; V78-V179 HydrophobicContact CG1-CG2 4.38Å; V78-V179 HydrophobicContact CG2-CG2 4.28Å; V78-V179 CarbonylContact O-C 3.58Å; V78-V179 WeakPolarHBondContact O-CA 3.11Å; V78-V180 PolarHBondContact O-N 2.89Å; V78-V214 CarbonylContact C-O 3.55Å; V78-V214 VanDerWaalsContact CA-O 3.3Å; V78-V214 WeakPolarHBondContact CA-O 3.4Å; V78-V214 HydrophobicContact CB-CB 4.48Å; V78-V214 HydrophobicContact CG1-CB 4.24Å; V78-V214 HydrophobicContact CG1-CG1 4.19Å; V78-V214 HydrophobicContact CG2-CB 4.17Å; V78-L216 HydrophobicContact CG1-CD1 3.91Å; V78-L216 HydrophobicContact CG1-CG 3.77Å; V78-F260 HydrophobicContact CG1-CE2 3.89Å; V78-F260 HydrophobicContact CG1-CZ 4.17Å; V78-F260 HydrophobicContact CG2-CE2 4.14Å; V78-F260 HydrophobicContact CG2-CZ 4.33Å; V78-L264 HydrophobicContact CG2-CD2 3.68Å
79	L	98.3	Very high	95.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	110.3	172.7	-58.3	178.6	0	0	0	108.3	L77 V180 Y182 I199 D202 I203 V214 V215 L216	L77-L79 HydrophobicContact CD1-CD2 4.49Å; L77-L79 HydrophobicContact CD2-CD2 4.02Å; L77-L79 HydrophobicContact CG-CD2 4.05Å; L77-L79 HydrophobicContact CG-CG 4.46Å; L79-V180 HydrophobicContact CD2-CB 4.1Å; L79-V180 HydrophobicContact CD2-CG2 4.38Å; L79-Y182 HydrophobicContact CD2-CE1 4.2Å; L79-I199 HydrophobicContact CD1-CG2 4.03Å; L79-D202 HydrophobicContact CD1-CB 4.23Å; L79-D202 HydrophobicContact CD2-CB 4.33Å; L79-I203 HydrophobicContact CD1-CD1 4.48Å; L79-I203 HydrophobicContact CD1-CG1 3.92Å; L79-V214 PolarHBondContact N-O 2.97Å; L79-V215 CarbonylContact O-C 3.46Å; L79-V215 WeakPolarHBondContact O-CA 3.45Å; L79-L216 PolarHBondContact O-N 2.87Å
80	Y	98.2	Very high	95.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	106	178.2	175.1	-143.6	0	0	0	110.2	G82 I85 G86 F101 V180 E181 Y182 L185 L216	Y80-G82 VanDerWaalsContact CE2-CA 3.46Å; Y80-G82 WeakPolarHBondContact CE2-O 3.35Å; Y80-I85 HydrophobicContact CE2-CG2 4.18Å; Y80-G86 WeakPolarHBondContact OH-CA 3.41Å; Y80-F101 HydrophobicContact CD1-CB 4.02Å; Y80-F101 AromaticContact CD1-CD1 3.77Å; Y80-F101 HydrophobicContact CD1-CD1 3.77Å; Y80-F101 HydrophobicContact CD1-CE1 4.39Å; Y80-F101 AromaticContact CD1-CG 3.93Å; Y80-F101 HydrophobicContact CD1-CG 3.93Å; Y80-F101 HydrophobicContact CE1-CB 3.57Å; Y80-F101 HydrophobicContact CE1-CD1 4.12Å; Y80-F101 HydrophobicContact CE1-CD2 4.28Å; Y80-F101 AromaticContact CE1-CG 3.76Å; Y80-F101 HydrophobicContact CE1-CG 3.76Å; Y80-F101 HydrophobicContact CG-CD1 4.43Å; Y80-V180 PolarHBondContact N-O 3Å; Y80-E181 HydrophobicContact CD1-CB 4.13Å; Y80-E181 HydrophobicContact CD1-CG 3.64Å; Y80-E181 HydrophobicContact CE1-CG 4.04Å; Y80-Y182 WeakPolarHBondContact O-CB 3.5Å; Y80-Y182 PolarHBondContact O-N 3.28Å; Y80-L185 HydrophobicContact CD1-CD1 4.43Å; Y80-L185 HydrophobicContact CD1-CD2 3.85Å; Y80-L185 HydrophobicContact CD2-CD2 4.3Å; Y80-L185 HydrophobicContact CE1-CD1 3.58Å; Y80-L185 HydrophobicContact CE1-CD2 3.67Å; Y80-L185 HydrophobicContact CE1-CG 4.29Å; Y80-L185 HydrophobicContact CE2-CD2 4.18Å; Y80-L185 HydrophobicContact CG-CD2 4.13Å; Y80-L185 WeakPolarHBondContact O-CD2 3.45Å; Y80-L216 HydrophobicContact CD2-CB 3.68Å; Y80-L216 HydrophobicContact CD2-CD1 4.32Å; Y80-L216 HydrophobicContact CG-CB 4.36Å; Y80-L216 HydrophobicContact CG-CD1 4.46Å
81	T	97.7	Very high	95.2	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.043	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-12.7	-174.2	74.8	0	0	0	0	113	Y182 L186 I199 V215 L216 H217	T81-Y182 HydrophobicContact CG2-CD2 3.74Å; T81-Y182 HydrophobicContact CG2-CE2 3.83Å; T81-L186 PolarHBondContact O-N 3.19Å; T81-I199 HydrophobicContact CG2-CD1 3.98Å; T81-I199 HydrophobicContact CG2-CG1 4.02Å; T81-V215 HydrophobicContact CG2-CG1 4.03Å; T81-L216 PolarHBondContact N-O 3.34Å; T81-L216 PolarHBondContact OG1-O 2.96Å; T81-H217 PolarHBondContact OG1-CD2 3.43Å
82	G	96.6	Very high	95.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.5	-154.4	-179.3	0	0	0	0	0	113.2	Y80 L186 H217	Y80-G82 VanDerWaalsContact CE2-CA 3.46Å; Y80-G82 WeakPolarHBondContact CE2-O 3.35Å; G82-L186 WeakPolarHBondContact CA-O 3.45Å; G82-H217 CarbonylContact O-C 3.56Å
83	G	96.2	Very high	95.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	19%	0.185	C	C	.	.	S	Bend	trans	82.9	170.1	-174.4	0	0	0	0	0	115.4	I85 G86 L186 G218	G83-I85 PolarHBondContact O-N 3.08Å; G83-G86 PolarHBondContact O-N 3.46Å; G83-L186 PolarHBondContact N-O 3.18Å; G83-L186 VanDerWaalsContact N-O 3.12Å; G83-G218 VanDerWaalsContact CA-CA 3.44Å
84	T	96.6	Very high	95.1	Very high	35 Å²	35	33 Å²	33	22%	0.215	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-52.4	-31.8	-170.3	-46.8	0	0	0	0	114.4	G86 M87 A245 Q246 P248	T84-G86 PolarHBondContact O-N 2.96Å; T84-G86 VanDerWaalsContact O-N 3.1Å; T84-M87 PolarHBondContact O-N 3.44Å; T84-M87 VanDerWaalsContact O-N 3.1Å; T84-A245 WeakPolarHBondContact CB-O 3.5Å; T84-Q246 WeakPolarHBondContact CG2-O 3.32Å; T84-P248 HydrophobicContact CG2-CG 4.27Å; T84-P248 WeakPolarHBondContact O-CA 3.3Å; T84-P248 WeakPolarHBondContact O-CB 3.49Å; T84-P248 WeakPolarHBondContact O-CG 3.31Å
85	I	96.7	Very high	95	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-54.8	-33.3	-175.5	-165.7	169.5	0	0	0	114	Y80 G83 L216 A245 V249 F260	Y80-I85 HydrophobicContact CE2-CG2 4.18Å; G83-I85 PolarHBondContact O-N 3.08Å; I85-L216 HydrophobicContact CD1-CD2 4.05Å; I85-L216 HydrophobicContact CG2-CB 4.26Å; I85-A245 HydrophobicContact CB-CB 3.84Å; I85-A245 HydrophobicContact CD1-CB 4.32Å; I85-A245 HydrophobicContact CG1-CB 3.86Å; I85-V249 HydrophobicContact CG1-CB 4.05Å; I85-V249 WeakPolarHBondContact O-CB 3.22Å; I85-V249 WeakPolarHBondContact O-CG1 3.49Å; I85-V249 PolarHBondContact O-N 2.99Å; I85-F260 HydrophobicContact CD1-CB 4.18Å
86	G	96.1	Very high	94.9	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-115	9.9	177.6	0	0	0	0	0	114.6	Y80 G83 T84	Y80-G86 WeakPolarHBondContact OH-CA 3.41Å; G83-G86 PolarHBondContact O-N 3.46Å; T84-G86 PolarHBondContact O-N 2.96Å; T84-G86 VanDerWaalsContact O-N 3.1Å
87	M	95.3	Very high	94.7	Very high	17 Å²	17	37.8 Å²	37.8	8%	0.084	23%	0.23	C	C	.	.			trans	-68.7	152.4	178	-72.6	-173.7	173.1	0	0	112.1	T84 Y94 C95 P248	T84-M87 PolarHBondContact O-N 3.44Å; T84-M87 VanDerWaalsContact O-N 3.1Å; M87-Y94 HydrophobicContact CB-CD1 4.42Å; M87-C95 CarbonylContact C-O 3.53Å; M87-C95 VanDerWaalsContact CA-O 3.32Å; M87-C95 WeakPolarHBondContact CA-O 3.1Å; M87-C95 WeakPolarHBondContact CB-O 2.95Å; M87-P248 HydrophobicContact CB-CG 4.38Å; M87-P248 VanDerWaalsContact O-CB 3.25Å; M87-P248 WeakPolarHBondContact O-CB 3.2Å; M87-P248 WeakPolarHBondContact O-CG 3.3Å
88	K	94.4	Very high	94.4	Very high	89 Å²	89	42 Å²	42	39%	0.387	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139.7	173.1	-170.6	-179.6	-180	179.1	0	109.7	V90 Y94 C95 V97 F100	K88-V90 HydrophobicContact CB-CG2 4.4Å; K88-V90 HydrophobicContact CD-CG2 4.26Å; K88-V90 HydrophobicContact CG-CG2 4.25Å; K88-V90 PolarHBondContact O-N 3.16Å; K88-Y94 WeakPolarHBondContact O-CA 3.35Å; K88-C95 PolarHBondContact N-O 2.89Å; K88-C95 PolarHBondContact O-N 3.38Å; K88-V97 HydrophobicContact CB-CB 4.4Å; K88-V97 HydrophobicContact CB-CG2 3.77Å; K88-V97 HydrophobicContact CD-CG2 4.21Å; K88-F100 HydrophobicContact CB-CD1 3.83Å; K88-F100 HydrophobicContact CB-CE1 3.63Å; K88-F100 HydrophobicContact CB-CG 4.34Å; K88-F100 HydrophobicContact CB-CZ 4.01Å; K88-F100 HydrophobicContact CD-CD2 3.9Å; K88-F100 HydrophobicContact CD-CE1 4.39Å; K88-F100 HydrophobicContact CD-CE2 3.79Å; K88-F100 HydrophobicContact CD-CG 4.27Å; K88-F100 HydrophobicContact CD-CZ 4.05Å; K88-F100 HydrophobicContact CG-CD1 4.43Å; K88-F100 HydrophobicContact CG-CE1 3.99Å; K88-F100 HydrophobicContact CG-CE2 4.1Å; K88-F100 HydrophobicContact CG-CZ 3.82Å
89	C	91.7	Very high	94.1	Very high	60 Å²	60	43.9 Å²	43.9	41%	0.405	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	113.9	169.1	-171.1	0	0	0	0	109.7	S93 Y94	C89-S93 WeakPolarHBondContact CA-O 3.47Å; C89-Y94 HydrophobicContact CB-CD1 3.94Å; C89-Y94 HydrophobicContact CB-CE1 3.64Å
90	V	91.4	Very high	93.9	Very high	58 Å²	58	45.8 Å²	45.8	35%	0.352	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	119.1	175.1	-177.1	0	0	0	0	107.6	K88 G92 S93 V97	K88-V90 HydrophobicContact CB-CG2 4.4Å; K88-V90 HydrophobicContact CD-CG2 4.26Å; K88-V90 HydrophobicContact CG-CG2 4.25Å; K88-V90 PolarHBondContact O-N 3.16Å; V90-G92 PolarHBondContact O-N 2.95Å; V90-S93 PolarHBondContact N-O 3.18Å; V90-S93 PolarHBondContact O-N 3.3Å; V90-S93 VanDerWaalsContact O-N 3.14Å; V90-S93 VanDerWaalsContact O-O 3.11Å; V90-V97 HydrophobicContact CG2-CG2 4.27Å
91	N	90.8	Very high	93.8	Very high	170 Å²	170	45.8 Å²	45.8	91%	0.909	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	34.4	-178.6	-57.3	-30.3	0	0	0	114.5	S93	N91-S93 VanDerWaalsContact C-N 3.33Å
92	G	89.2	Confident	93.6	Very high	72 Å²	72	45.6 Å²	45.6	74%	0.742	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	1.8	178.3	0	0	0	0	0	115.1	V90	V90-G92 PolarHBondContact O-N 2.95Å
93	S	90.5	Very high	93.4	Very high	76 Å²	76	48 Å²	48	53%	0.531	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.9	171.8	-170.1	0	0	0	0	110.3	C89 V90 N91	C89-S93 WeakPolarHBondContact CA-O 3.47Å; V90-S93 PolarHBondContact N-O 3.18Å; V90-S93 PolarHBondContact O-N 3.3Å; V90-S93 VanDerWaalsContact O-N 3.14Å; V90-S93 VanDerWaalsContact O-O 3.11Å; N91-S93 VanDerWaalsContact C-N 3.33Å
94	Y	92.1	Very high	93.3	Very high	83 Å²	83	49.2 Å²	49.2	33%	0.325	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	132.4	167.9	-70	-71.6	0	0	0	109.6	M87 K88 C89 P248 E251	M87-Y94 HydrophobicContact CB-CD1 4.42Å; K88-Y94 WeakPolarHBondContact O-CA 3.35Å; C89-Y94 HydrophobicContact CB-CD1 3.94Å; C89-Y94 HydrophobicContact CB-CE1 3.64Å; Y94-P248 HydrophobicContact CD1-CG 3.5Å; Y94-P248 HydrophobicContact CE1-CG 3.42Å; Y94-P248 VanDerWaalsContact CE1-CG 3.42Å; Y94-P248 HydrophobicContact CG-CG 4.31Å; Y94-E251 HydrophobicContact CE1-CG 4.49Å; Y94-E251 PolarHBondContact OH-OE1 3.37Å
95	C	92.7	Very high	93.1	Very high	48 Å²	48	47.6 Å²	47.6	32%	0.324	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	157.7	174	60.3	0	0	0	0	111.1	M87 K88	M87-C95 CarbonylContact C-O 3.53Å; M87-C95 VanDerWaalsContact CA-O 3.32Å; M87-C95 WeakPolarHBondContact CA-O 3.1Å; M87-C95 WeakPolarHBondContact CB-O 2.95Å; K88-C95 PolarHBondContact N-O 2.89Å; K88-C95 PolarHBondContact O-N 3.38Å
96	S	93	Very high	92.8	Very high	33 Å²	33	50 Å²	50	23%	0.231	29%	0.292	C	S	.	.			trans	-69.5	130.1	171.3	-57.2	0	0	0	0	109.6
97	V	93.5	Very high	92.5	Very high	43 Å²	43	57.8 Å²	57.8	26%	0.261	33%	0.326	S	S	.	.			trans	-123.2	125	177.5	178.2	0	0	0	0	108	K88 V90 N99 F100	K88-V97 HydrophobicContact CB-CB 4.4Å; K88-V97 HydrophobicContact CB-CG2 3.77Å; K88-V97 HydrophobicContact CD-CG2 4.21Å; V90-V97 HydrophobicContact CG2-CG2 4.27Å; V97-N99 PolarHBondContact O-N 3.13Å; V97-F100 HydrophobicContact CB-CB 3.82Å; V97-F100 HydrophobicContact CB-CG 4.4Å; V97-F100 HydrophobicContact CG1-CB 3.91Å; V97-F100 WeakPolarHBondContact O-CB 3.33Å; V97-F100 PolarHBondContact O-N 3.05Å
98	E	93.4	Very high	92.4	Very high	89 Å²	89	58.1 Å²	58.1	42%	0.416	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	132	179.8	-166.8	175.6	-179.5	0	0	111.8	F100 H160 W183	E98-F100 PolarHBondContact O-N 3.15Å; E98-H160 WeakPolarHBondContact CG-NE2 3.2Å; E98-H160 IonicContact OE1-CE1 3.14Å; E98-H160 IonicContact OE1-NE2 3.36Å; E98-H160 PolarHBondContact OE1-NE2 2.9Å; E98-W183 HydrophobicContact CB-CD2 4.39Å; E98-W183 HydrophobicContact CB-CE3 3.9Å; E98-W183 HydrophobicContact CB-CH2 3.52Å; E98-W183 HydrophobicContact CB-CZ2 4.01Å; E98-W183 HydrophobicContact CB-CZ3 3.44Å; E98-W183 VanDerWaalsContact CB-CZ3 3.44Å; E98-W183 HydrophobicContact CG-CD2 3.84Å; E98-W183 HydrophobicContact CG-CE3 3.66Å; E98-W183 HydrophobicContact CG-CH2 4.04Å; E98-W183 HydrophobicContact CG-CZ2 4.16Å; E98-W183 HydrophobicContact CG-CZ3 3.78Å
99	N	92.5	Very high	92.4	Very high	39 Å²	39	58.6 Å²	58.6	21%	0.209	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	30.6	176.7	-165.2	27.6	0	0	0	113.4	S49 V97 P103 E181	S49-N99 WeakPolarHBondContact CB-ND2 3.42Å; V97-N99 PolarHBondContact O-N 3.13Å; N99-P103 WeakPolarHBondContact O-CD 3.47Å; N99-P103 VanDerWaalsContact O-CG 3.29Å; N99-P103 WeakPolarHBondContact O-CG 3.49Å; N99-E181 VanDerWaalsContact CA-OE1 3.3Å; N99-E181 WeakPolarHBondContact CA-OE1 3.35Å; N99-E181 PolarHBondContact N-OE1 3.27Å
100	F	94.3	Very high	92.4	Very high	40 Å²	40	58.8 Å²	58.8	18%	0.175	34%	0.34	C	S	.	.			trans	-85.8	-37	175.4	169	-111.9	0	0	0	111.7	K88 V97 E98 T104 F250	K88-F100 HydrophobicContact CB-CD1 3.83Å; K88-F100 HydrophobicContact CB-CE1 3.63Å; K88-F100 HydrophobicContact CB-CG 4.34Å; K88-F100 HydrophobicContact CB-CZ 4.01Å; K88-F100 HydrophobicContact CD-CD2 3.9Å; K88-F100 HydrophobicContact CD-CE1 4.39Å; K88-F100 HydrophobicContact CD-CE2 3.79Å; K88-F100 HydrophobicContact CD-CG 4.27Å; K88-F100 HydrophobicContact CD-CZ 4.05Å; K88-F100 HydrophobicContact CG-CD1 4.43Å; K88-F100 HydrophobicContact CG-CE1 3.99Å; K88-F100 HydrophobicContact CG-CE2 4.1Å; K88-F100 HydrophobicContact CG-CZ 3.82Å; V97-F100 HydrophobicContact CB-CB 3.82Å; V97-F100 HydrophobicContact CB-CG 4.4Å; V97-F100 HydrophobicContact CG1-CB 3.91Å; V97-F100 WeakPolarHBondContact O-CB 3.33Å; V97-F100 PolarHBondContact O-N 3.05Å; E98-F100 PolarHBondContact O-N 3.15Å; F100-T104 WeakPolarHBondContact O-CB 3.41Å; F100-T104 PolarHBondContact O-OG1 3.03Å; F100-F250 HydrophobicContact CD1-CD2 4.41Å; F100-F250 HydrophobicContact CD1-CE2 4.15Å; F100-F250 AromaticContact CE1-CD2 3.49Å; F100-F250 HydrophobicContact CE1-CD2 3.49Å; F100-F250 VanDerWaalsContact CE1-CD2 3.49Å; F100-F250 AromaticContact CE1-CE2 3.66Å; F100-F250 HydrophobicContact CE1-CE2 3.66Å; F100-F250 AromaticContact CZ-CD2 3.84Å; F100-F250 HydrophobicContact CZ-CD2 3.84Å; F100-F250 HydrophobicContact CZ-CE2 4.25Å
101	F	95.1	Very high	92.6	Very high	1 Å²	1	56 Å²	56	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-67.9	-47.2	-173.2	-178.3	-102.5	0	0	0	111.5	Y80 T104 L105 V179 L216 V249 F250 F260	Y80-F101 HydrophobicContact CD1-CB 4.02Å; Y80-F101 AromaticContact CD1-CD1 3.77Å; Y80-F101 HydrophobicContact CD1-CD1 3.77Å; Y80-F101 HydrophobicContact CD1-CE1 4.39Å; Y80-F101 AromaticContact CD1-CG 3.93Å; Y80-F101 HydrophobicContact CD1-CG 3.93Å; Y80-F101 HydrophobicContact CE1-CB 3.57Å; Y80-F101 HydrophobicContact CE1-CD1 4.12Å; Y80-F101 HydrophobicContact CE1-CD2 4.28Å; Y80-F101 AromaticContact CE1-CG 3.76Å; Y80-F101 HydrophobicContact CE1-CG 3.76Å; Y80-F101 HydrophobicContact CG-CD1 4.43Å; F101-T104 PolarHBondContact O-N 2.94Å; F101-L105 HydrophobicContact CD1-CD1 3.81Å; F101-L105 HydrophobicContact CD1-CG 4.33Å; F101-L105 HydrophobicContact CE1-CD1 3.28Å; F101-L105 HydrophobicContact CE1-CG 4.02Å; F101-L105 HydrophobicContact CZ-CD1 3.69Å; F101-L105 HydrophobicContact CZ-CD2 4.21Å; F101-L105 HydrophobicContact CZ-CG 4.1Å; F101-L105 PolarHBondContact O-N 3.26Å; F101-V179 HydrophobicContact CD1-CG1 4.3Å; F101-V179 HydrophobicContact CE1-CG1 4.09Å; F101-L216 HydrophobicContact CE1-CD1 3.79Å; F101-L216 HydrophobicContact CE2-CD1 4.27Å; F101-L216 HydrophobicContact CZ-CD1 3.42Å; F101-L216 VanDerWaalsContact CZ-CD1 3.42Å; F101-V249 HydrophobicContact CD2-CG1 4.29Å; F101-V249 HydrophobicContact CE2-CG1 3.73Å; F101-F250 HydrophobicContact CB-CZ 4.45Å; F101-F250 AromaticContact CD2-CE2 3.71Å; F101-F250 HydrophobicContact CD2-CE2 3.71Å; F101-F250 AromaticContact CD2-CZ 3.47Å; F101-F250 HydrophobicContact CD2-CZ 3.47Å; F101-F250 VanDerWaalsContact CD2-CZ 3.47Å; F101-F250 HydrophobicContact CE2-CE2 4.43Å; F101-F250 AromaticContact CE2-CZ 3.99Å; F101-F250 HydrophobicContact CE2-CZ 3.99Å; F101-F250 HydrophobicContact CG-CZ 4.15Å; F101-F260 HydrophobicContact CZ-CD1 4.42Å; F101-F260 HydrophobicContact CZ-CE1 4.02Å
102	L	94.1	Very high	92.8	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-55.8	-175.4	-51.7	178.5	0	0	0	113.1	T104 L105 N106 H160 Q162 Y164 V179 E181	L102-T104 PolarHBondContact O-N 3.38Å; L102-T104 VanDerWaalsContact O-N 3.12Å; L102-L105 PolarHBondContact O-N 3.43Å; L102-L105 VanDerWaalsContact O-N 3.16Å; L102-N106 PolarHBondContact O-N 3.29Å; L102-N106 PolarHBondContact O-ND2 3.01Å; L102-H160 HydrophobicContact CD1-CB 3.6Å; L102-Q162 HydrophobicContact CB-CB 4.4Å; L102-Q162 HydrophobicContact CD1-CB 4.19Å; L102-Q162 HydrophobicContact CD2-CB 4.48Å; L102-Y164 VanDerWaalsContact C-OH 3.24Å; L102-Y164 WeakPolarHBondContact CA-OH 3.42Å; L102-Y164 WeakPolarHBondContact CB-OH 3.29Å; L102-Y164 HydrophobicContact CD2-CE2 4.44Å; L102-Y164 PolarHBondContact O-OH 3.25Å; L102-V179 HydrophobicContact CD2-CB 3.53Å; L102-V179 HydrophobicContact CD2-CG1 3.47Å; L102-V179 VanDerWaalsContact CD2-CG1 3.47Å; L102-V179 HydrophobicContact CD2-CG2 4.34Å; L102-E181 HydrophobicContact CD1-CB 4.15Å; L102-E181 HydrophobicContact CG-CB 4.34Å
103	P	92.4	Very high	93.1	Very high	50 Å²	50	46 Å²	46	33%	0.325	25%	0.253	S	S	.	.	H	α-helix	trans	-63.9	-26.1	-178.7	-20.8	35.4	0	0	0	112.7	N99	N99-P103 WeakPolarHBondContact O-CD 3.47Å; N99-P103 VanDerWaalsContact O-CG 3.29Å; N99-P103 WeakPolarHBondContact O-CG 3.49Å
104	T	92.7	Very high	93.2	Very high	28 Å²	28	46.4 Å²	46.4	17%	0.172	26%	0.255	C	S	.	.	H	α-helix	trans	-77.1	-36.1	179.4	-49.6	0	0	0	0	111.7	F100 F101 L102 N106 K107 F250	F100-T104 WeakPolarHBondContact O-CB 3.41Å; F100-T104 PolarHBondContact O-OG1 3.03Å; F101-T104 PolarHBondContact O-N 2.94Å; L102-T104 PolarHBondContact O-N 3.38Å; L102-T104 VanDerWaalsContact O-N 3.12Å; T104-N106 VanDerWaalsContact C-N 3.28Å; T104-N106 PolarHBondContact O-N 2.89Å; T104-K107 WeakPolarHBondContact O-CB 3.49Å; T104-K107 PolarHBondContact O-N 3.05Å; T104-F250 HydrophobicContact CG2-CB 4.34Å; T104-F250 HydrophobicContact CG2-CD1 3.2Å; T104-F250 HydrophobicContact CG2-CD2 4.16Å; T104-F250 HydrophobicContact CG2-CE1 3.34Å; T104-F250 HydrophobicContact CG2-CE2 4.26Å; T104-F250 HydrophobicContact CG2-CG 3.63Å; T104-F250 HydrophobicContact CG2-CZ 3.89Å
105	L	93.2	Very high	93.2	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.7	-36.5	172.7	-79.3	-179.3	0	0	0	113.1	F101 L102 K107 M108 F111 Y164 V179 F250 F260	F101-L105 HydrophobicContact CD1-CD1 3.81Å; F101-L105 HydrophobicContact CD1-CG 4.33Å; F101-L105 HydrophobicContact CE1-CD1 3.28Å; F101-L105 HydrophobicContact CE1-CG 4.02Å; F101-L105 HydrophobicContact CZ-CD1 3.69Å; F101-L105 HydrophobicContact CZ-CD2 4.21Å; F101-L105 HydrophobicContact CZ-CG 4.1Å; F101-L105 PolarHBondContact O-N 3.26Å; L102-L105 PolarHBondContact O-N 3.43Å; L102-L105 VanDerWaalsContact O-N 3.16Å; L105-K107 PolarHBondContact O-N 3.36Å; L105-M108 HydrophobicContact CD2-SD 4.3Å; L105-M108 PolarHBondContact O-N 3.23Å; L105-F111 HydrophobicContact CD2-CB 4.14Å; L105-F111 HydrophobicContact CD2-CD2 3.98Å; L105-F111 HydrophobicContact CD2-CG 4.07Å; L105-Y164 HydrophobicContact CB-CE1 3.96Å; L105-Y164 HydrophobicContact CD1-CE2 4.41Å; L105-V179 HydrophobicContact CD1-CG2 4.25Å; L105-F250 HydrophobicContact CD2-CE1 4.32Å; L105-F250 HydrophobicContact CG-CE1 4.5Å; L105-F260 HydrophobicContact CD1-CE1 4.07Å; L105-F260 HydrophobicContact CD2-CD1 4.47Å; L105-F260 HydrophobicContact CD2-CE1 4.04Å
106	N	89.7	Confident	93.2	Very high	50 Å²	50	47.8 Å²	47.8	27%	0.267	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.3	175.9	-73.4	-61.2	0	0	0	113.5	L102 T104 M108 Q162 Y164	L102-N106 PolarHBondContact O-N 3.29Å; L102-N106 PolarHBondContact O-ND2 3.01Å; T104-N106 VanDerWaalsContact C-N 3.28Å; T104-N106 PolarHBondContact O-N 2.89Å; N106-M108 VanDerWaalsContact C-N 3.35Å; N106-Q162 PolarHBondContact ND2-NE2 2.63Å; N106-Q162 PolarHBondContact ND2-OE1 3.48Å; N106-Q162 PolarHBondContact OD1-NE2 2.81Å; N106-Y164 WeakPolarHBondContact OD1-CE1 3.15Å
107	K	90.9	Very high	93.2	Very high	166 Å²	166	46.7 Å²	46.7	72%	0.722	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-0.7	-178.4	-58.3	176.1	-174.4	174.2	0	112.7	T104 L105 P109	T104-K107 WeakPolarHBondContact O-CB 3.49Å; T104-K107 PolarHBondContact O-N 3.05Å; L105-K107 PolarHBondContact O-N 3.36Å; K107-P109 WeakPolarHBondContact O-CD 3.47Å
108	M	93.1	Very high	93.1	Very high	23 Å²	23	48.1 Å²	48.1	11%	0.113	26%	0.26	C	S	.	.			trans	-108.4	102.5	-176.8	-61.3	-176.1	76.5	0	0	110.3	L105 N106 T110 F111 C112 V249 F250 W257	L105-M108 HydrophobicContact CD2-SD 4.3Å; L105-M108 PolarHBondContact O-N 3.23Å; N106-M108 VanDerWaalsContact C-N 3.35Å; M108-T110 PolarHBondContact O-N 3.29Å; M108-F111 HydrophobicContact CB-CB 4.43Å; M108-F111 HydrophobicContact CB-CD2 3.93Å; M108-F111 HydrophobicContact CE-CD2 3.89Å; M108-F111 HydrophobicContact CE-CE2 3.76Å; M108-F111 PolarHBondContact O-N 3.37Å; M108-F111 HydrophobicContact SD-CD2 3.93Å; M108-F111 HydrophobicContact SD-CE2 4.25Å; M108-C112 PolarHBondContact O-N 3.46Å; M108-V249 HydrophobicContact CE-CG2 4.47Å; M108-V249 WeakPolarHBondContact CE-O 3.47Å; M108-F250 HydrophobicContact SD-CD1 3.63Å; M108-F250 HydrophobicContact SD-CE1 3.73Å; M108-W257 HydrophobicContact CE-CD2 4.25Å; M108-W257 HydrophobicContact CE-CZ2 3.99Å
109	P	93.3	Very high	92.9	Very high	100 Å²	100	47.5 Å²	47.5	65%	0.649	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.8	-176	-26.4	35.4	0	0	0	114.7	K107 F111 C112	K107-P109 WeakPolarHBondContact O-CD 3.47Å; P109-F111 VanDerWaalsContact C-N 3.28Å; P109-F111 PolarHBondContact O-N 3.26Å; P109-C112 WeakPolarHBondContact CA-O 3.27Å
110	T	92.7	Very high	92.7	Very high	64 Å²	64	45.7 Å²	45.7	39%	0.393	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-35.1	174.5	-50.3	0	0	0	0	112.3	M108 L166 L261	M108-T110 PolarHBondContact O-N 3.29Å; T110-L166 WeakPolarHBondContact O-CD2 3.36Å; T110-L261 HydrophobicContact CG2-CD1 4.46Å; T110-L261 HydrophobicContact CG2-CD2 3.83Å
111	F	95.5	Very high	92.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-22.8	-177.1	-66.5	-65.3	0	0	0	112.6	L105 M108 P109 L166 Y177 V249 W257 F260 L261 L264	L105-F111 HydrophobicContact CD2-CB 4.14Å; L105-F111 HydrophobicContact CD2-CD2 3.98Å; L105-F111 HydrophobicContact CD2-CG 4.07Å; M108-F111 HydrophobicContact CB-CB 4.43Å; M108-F111 HydrophobicContact CB-CD2 3.93Å; M108-F111 HydrophobicContact CE-CD2 3.89Å; M108-F111 HydrophobicContact CE-CE2 3.76Å; M108-F111 PolarHBondContact O-N 3.37Å; M108-F111 HydrophobicContact SD-CD2 3.93Å; M108-F111 HydrophobicContact SD-CE2 4.25Å; P109-F111 VanDerWaalsContact C-N 3.28Å; P109-F111 PolarHBondContact O-N 3.26Å; F111-L166 HydrophobicContact CD1-CD2 4.35Å; F111-Y177 WeakPolarHBondContact O-CE1 3.39Å; F111-Y177 PolarHBondContact O-OH 3.38Å; F111-V249 HydrophobicContact CE2-CG2 4.02Å; F111-V249 HydrophobicContact CZ-CG2 4.29Å; F111-W257 WeakPolarHBondContact CZ-O 3.49Å; F111-F260 AromaticContact CD1-CD1 3.81Å; F111-F260 HydrophobicContact CD1-CD1 3.81Å; F111-F260 HydrophobicContact CD1-CE1 4.01Å; F111-F260 HydrophobicContact CE1-CB 4.04Å; F111-F260 AromaticContact CE1-CD1 3.38Å; F111-F260 HydrophobicContact CE1-CD1 3.38Å; F111-F260 HydrophobicContact CE1-CE1 4.06Å; F111-F260 AromaticContact CE1-CG 3.89Å; F111-F260 HydrophobicContact CE1-CG 3.89Å; F111-F260 HydrophobicContact CE2-CD1 4.48Å; F111-F260 HydrophobicContact CZ-CB 4.09Å; F111-F260 AromaticContact CZ-CD1 3.77Å; F111-F260 HydrophobicContact CZ-CD1 3.77Å; F111-F260 HydrophobicContact CZ-CG 4.31Å; F111-L261 HydrophobicContact CE1-CB 3.88Å; F111-L261 HydrophobicContact CZ-CB 4.29Å; F111-L264 HydrophobicContact CD1-CD1 4.23Å; F111-L264 HydrophobicContact CE1-CD1 4.5Å
112	C	95.1	Very high	91.8	Very high	5 Å²	5	52 Å²	52	3%	0.034	28%	0.279	C	S	.	.			trans	-131.7	109	-177.5	-177	0	0	0	0	111	M108 P109 S114 Q117 Y164 A165	M108-C112 PolarHBondContact O-N 3.46Å; P109-C112 WeakPolarHBondContact CA-O 3.27Å; C112-S114 PolarHBondContact O-N 3.4Å; C112-Q117 PolarHBondContact SG-OE1 2.93Å; C112-Y164 HydrophobicContact CB-CD1 4.35Å; C112-A165 WeakPolarHBondContact CA-O 3.3Å
113	D	95.4	Very high	91.2	Very high	27 Å²	27	53.7 Å²	53.7	14%	0.144	29%	0.287	C	S	.	.			trans	-68.6	95.8	165.1	177.1	-2.8	0	0	0	109.4	E115 F116 Q117 A165 R174	D113-E115 PolarHBondContact O-N 3.07Å; D113-E115 VanDerWaalsContact O-N 3.15Å; D113-E115 PolarHBondContact OD1-N 3.38Å; D113-E115 VanDerWaalsContact OD1-N 3.12Å; D113-F116 HydrophobicContact CB-CB 4.3Å; D113-F116 PolarHBondContact O-N 3.18Å; D113-F116 VanDerWaalsContact O-N 3.09Å; D113-F116 PolarHBondContact OD1-N 3.08Å; D113-Q117 WeakPolarHBondContact O-CB 3.32Å; D113-Q117 PolarHBondContact O-N 3.18Å; D113-A165 PolarHBondContact N-O 3.29Å; D113-R174 IonicContact OD2-CZ 2.87Å; D113-R174 VanDerWaalsContact OD2-CZ 3.25Å; D113-R174 IonicContact OD2-NH1 2.7Å; D113-R174 PolarHBondContact OD2-NH1 3.12Å; D113-R174 IonicContact OD2-NH2 3.37Å; D113-R174 PolarHBondContact OD2-NH2 3.15Å
114	S	91.7	Very high	90.5	Very high	84 Å²	84	54.5 Å²	54.5	59%	0.587	29%	0.288	S	S	*	.	H	α-helix	trans	-56.8	-29.5	-176.9	61.6	0	0	0	0	114.2	C112	C112-S114 PolarHBondContact O-N 3.4Å
115	E	92.4	Very high	89.6	Confident	157 Å²	157	57.6 Å²	57.6	73%	0.734	30%	0.303	S	S	*	.	H	α-helix	trans	-71.2	-41	178.6	-64	-173.7	171.1	0	0	110.8	D113 H119	D113-E115 PolarHBondContact O-N 3.07Å; D113-E115 VanDerWaalsContact O-N 3.15Å; D113-E115 PolarHBondContact OD1-N 3.38Å; D113-E115 VanDerWaalsContact OD1-N 3.12Å; E115-H119 PolarHBondContact O-ND1 3.02Å
116	F	93.7	Very high	88.6	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.009	33%	0.332	C	S	.	.	H	α-helix	trans	-78.4	-29.8	176.6	-162.6	-101.7	0	0	0	112.6	L60 L63 A64 I67 D113 V118 H119 I120 A165 R174 L176	L60-F116 HydrophobicContact CD1-CE1 3.93Å; L60-F116 HydrophobicContact CD1-CZ 3.93Å; L60-F116 HydrophobicContact CG-CE1 4.45Å; L63-F116 HydrophobicContact CG-CE2 4.4Å; A64-F116 HydrophobicContact CB-CE1 4.38Å; A64-F116 HydrophobicContact CB-CE2 3.99Å; A64-F116 HydrophobicContact CB-CZ 3.62Å; I67-F116 HydrophobicContact CD1-CD2 3.56Å; I67-F116 HydrophobicContact CD1-CE2 3.76Å; D113-F116 HydrophobicContact CB-CB 4.3Å; D113-F116 PolarHBondContact O-N 3.18Å; D113-F116 VanDerWaalsContact O-N 3.09Å; D113-F116 PolarHBondContact OD1-N 3.08Å; F116-V118 PolarHBondContact O-N 3.1Å; F116-H119 HydrophobicContact CE2-CB 4.49Å; F116-H119 WeakPolarHBondContact O-CA 3.3Å; F116-H119 VanDerWaalsContact O-CB 3.28Å; F116-H119 WeakPolarHBondContact O-CB 3.45Å; F116-H119 PolarHBondContact O-N 2.83Å; F116-I120 HydrophobicContact CD1-CD1 3.94Å; F116-I120 HydrophobicContact CD1-CG1 3.95Å; F116-I120 HydrophobicContact CE1-CD1 4.2Å; F116-I120 HydrophobicContact CE1-CG1 3.95Å; F116-I120 PolarHBondContact O-N 3.09Å; F116-A165 HydrophobicContact CB-CB 4.42Å; F116-A165 HydrophobicContact CD1-CB 3.62Å; F116-A165 HydrophobicContact CE1-CB 4.39Å; F116-A165 HydrophobicContact CG-CB 4.39Å; F116-R174 VanDerWaalsContact CB-NH1 3.27Å; F116-L176 HydrophobicContact CD1-CD2 4.16Å; F116-L176 HydrophobicContact CE1-CD2 3.74Å
117	Q	92.3	Very high	87.5	Confident	10 Å²	10	64.2 Å²	64.2	5%	0.047	33%	0.332	C	S	.	.	H	α-helix	trans	-58.8	-31.3	178.9	-164.8	65.4	38.6	0	0	112.6	C112 D113 H119 I120 N121 T163	C112-Q117 PolarHBondContact SG-OE1 2.93Å; D113-Q117 WeakPolarHBondContact O-CB 3.32Å; D113-Q117 PolarHBondContact O-N 3.18Å; Q117-H119 VanDerWaalsContact C-N 3.27Å; Q117-H119 PolarHBondContact O-N 3.21Å; Q117-I120 PolarHBondContact O-N 2.91Å; Q117-N121 VanDerWaalsContact O-CG 3.23Å; Q117-N121 PolarHBondContact O-N 2.87Å; Q117-N121 PolarHBondContact O-ND2 2.81Å; Q117-T163 PolarHBondContact NE2-O 3Å
118	V	90.8	Very high	86	Confident	74 Å²	74	59.2 Å²	59.2	45%	0.448	31%	0.313	S	S	.	.	H	α-helix	trans	-58	-41.3	172.6	176.8	0	0	0	0	111.4	F116 N121 Q122	F116-V118 PolarHBondContact O-N 3.1Å; V118-N121 PolarHBondContact O-N 3.48Å; V118-Q122 WeakPolarHBondContact O-CB 3.37Å; V118-Q122 VanDerWaalsContact O-CG 3.31Å; V118-Q122 WeakPolarHBondContact O-CG 3.49Å; V118-Q122 PolarHBondContact O-N 2.92Å
119	H	89.1	Confident	84.3	Confident	76 Å²	76	64 Å²	64	35%	0.352	34%	0.335	S	S	.	.	H	α-helix	trans	-68.8	-39.6	178.3	-61.2	85.2	0	0	0	111.5	L63 E115 F116 Q117 Q122 F123	L63-H119 HydrophobicContact CD2-CB 3.73Å; E115-H119 PolarHBondContact O-ND1 3.02Å; F116-H119 HydrophobicContact CE2-CB 4.49Å; F116-H119 WeakPolarHBondContact O-CA 3.3Å; F116-H119 VanDerWaalsContact O-CB 3.28Å; F116-H119 WeakPolarHBondContact O-CB 3.45Å; F116-H119 PolarHBondContact O-N 2.83Å; Q117-H119 VanDerWaalsContact C-N 3.27Å; Q117-H119 PolarHBondContact O-N 3.21Å; H119-Q122 PolarHBondContact O-N 3.23Å; H119-F123 VanDerWaalsContact O-CB 3.24Å; H119-F123 WeakPolarHBondContact O-CB 3.3Å; H119-F123 PolarHBondContact O-N 3.38Å
120	I	89.3	Confident	82.6	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60	-46.9	173.5	-61.6	177	0	0	0	110.4	L60 F116 Q117 F123 N124 T163 A165	L60-I120 HydrophobicContact CD1-CG1 4.05Å; L60-I120 HydrophobicContact CD2-CG1 4.05Å; F116-I120 HydrophobicContact CD1-CD1 3.94Å; F116-I120 HydrophobicContact CD1-CG1 3.95Å; F116-I120 HydrophobicContact CE1-CD1 4.2Å; F116-I120 HydrophobicContact CE1-CG1 3.95Å; F116-I120 PolarHBondContact O-N 3.09Å; Q117-I120 PolarHBondContact O-N 2.91Å; I120-F123 WeakPolarHBondContact O-CB 3.43Å; I120-F123 PolarHBondContact O-N 3.13Å; I120-N124 VanDerWaalsContact O-CG 3.31Å; I120-N124 PolarHBondContact O-N 2.9Å; I120-N124 PolarHBondContact O-ND2 3.06Å; I120-T163 HydrophobicContact CD1-CG2 4.46Å; I120-T163 HydrophobicContact CG2-CG2 4.43Å; I120-A165 HydrophobicContact CD1-CB 4.1Å
121	N	86.6	Confident	80.8	Confident	73 Å²	73	65.5 Å²	65.5	39%	0.39	32%	0.324	S	S	.	.	H	α-helix	trans	-64.4	-43.1	-179.6	-67.2	-14.8	0	0	0	111.8	Q117 V118 N124 I125	Q117-N121 VanDerWaalsContact O-CG 3.23Å; Q117-N121 PolarHBondContact O-N 2.87Å; Q117-N121 PolarHBondContact O-ND2 2.81Å; V118-N121 PolarHBondContact O-N 3.48Å; N121-N124 PolarHBondContact O-N 3.44Å; N121-I125 VanDerWaalsContact O-CG1 3.31Å; N121-I125 WeakPolarHBondContact O-CG1 3.3Å; N121-I125 PolarHBondContact O-N 3.02Å; N121-I125 VanDerWaalsContact O-N 3.12Å
122	Q	84.4	Confident	78.6	Confident	101 Å²	101	70.5 Å²	70.5	47%	0.472	35%	0.35	S	S	.	.	H	α-helix	trans	-60.8	-46.3	174	-75.6	173.6	-8.7	0	0	111.5	V118 H119 N124 I125 E126	V118-Q122 WeakPolarHBondContact O-CB 3.37Å; V118-Q122 VanDerWaalsContact O-CG 3.31Å; V118-Q122 WeakPolarHBondContact O-CG 3.49Å; V118-Q122 PolarHBondContact O-N 2.92Å; H119-Q122 PolarHBondContact O-N 3.23Å; Q122-N124 VanDerWaalsContact C-N 3.33Å; Q122-N124 PolarHBondContact O-N 3.36Å; Q122-I125 PolarHBondContact O-N 3.45Å; Q122-E126 WeakPolarHBondContact O-CG 3.32Å; Q122-E126 PolarHBondContact O-N 3.11Å
123	F	81.5	Confident	76.4	Confident	38 Å²	38	73.4 Å²	73.4	17%	0.167	37%	0.371	C	S	.	.	H	α-helix	trans	-57.9	-45.7	178.2	-174.5	-96.3	0	0	0	112	D57 S59 H119 I120 I125 E126 H127	D57-F123 HydrophobicContact CB-CE1 3.75Å; D57-F123 HydrophobicContact CB-CZ 3.61Å; S59-F123 WeakPolarHBondContact OG-CE2 3.41Å; S59-F123 WeakPolarHBondContact OG-CZ 3.2Å; H119-F123 VanDerWaalsContact O-CB 3.24Å; H119-F123 WeakPolarHBondContact O-CB 3.3Å; H119-F123 PolarHBondContact O-N 3.38Å; I120-F123 WeakPolarHBondContact O-CB 3.43Å; I120-F123 PolarHBondContact O-N 3.13Å; F123-I125 PolarHBondContact O-N 2.94Å; F123-E126 PolarHBondContact O-N 2.82Å; F123-H127 WeakPolarHBondContact O-CB 3.44Å; F123-H127 PolarHBondContact O-N 2.79Å
124	N	76.8	Confident	74	Confident	66 Å²	66	77 Å²	77	35%	0.353	39%	0.385	S	S	.	.	H	α-helix	trans	-61.8	-42.9	177.9	-72.2	-19.3	0	0	0	111.9	I120 N121 Q122 H127 L128	I120-N124 VanDerWaalsContact O-CG 3.31Å; I120-N124 PolarHBondContact O-N 2.9Å; I120-N124 PolarHBondContact O-ND2 3.06Å; N121-N124 PolarHBondContact O-N 3.44Å; Q122-N124 VanDerWaalsContact C-N 3.33Å; Q122-N124 PolarHBondContact O-N 3.36Å; N124-H127 PolarHBondContact O-N 2.75Å; N124-L128 VanDerWaalsContact O-CB 3.27Å; N124-L128 WeakPolarHBondContact O-CB 3.49Å; N124-L128 WeakPolarHBondContact O-CD1 3.42Å; N124-L128 WeakPolarHBondContact O-CG 3.41Å; N124-L128 PolarHBondContact O-N 2.74Å
125	I	75.1	Confident	71.7	Confident	94 Å²	94	77.8 Å²	77.8	48%	0.482	39%	0.386	S	S	.	.	H	α-helix	trans	-61.9	-48	176.9	-69	165.3	0	0	0	110.9	N121 Q122 F123 H127 L128 H129	N121-I125 VanDerWaalsContact O-CG1 3.31Å; N121-I125 WeakPolarHBondContact O-CG1 3.3Å; N121-I125 PolarHBondContact O-N 3.02Å; N121-I125 VanDerWaalsContact O-N 3.12Å; Q122-I125 PolarHBondContact O-N 3.45Å; F123-I125 PolarHBondContact O-N 2.94Å; I125-H127 PolarHBondContact O-N 3.35Å; I125-L128 WeakPolarHBondContact O-CB 3.44Å; I125-L128 PolarHBondContact O-N 2.91Å; I125-H129 PolarHBondContact O-CD2 3.37Å; I125-H129 PolarHBondContact O-N 3.3Å
126	E	71.4	Confident	69.1	Low	129 Å²	129	79.3 Å²	79.3	60%	0.603	39%	0.391	S	S	*	.	H	α-helix	trans	-62.4	-43.3	179	-71.4	178.4	-178.1	0	0	111.9	Q122 F123 H129 H130	Q122-E126 WeakPolarHBondContact O-CG 3.32Å; Q122-E126 PolarHBondContact O-N 3.11Å; F123-E126 PolarHBondContact O-N 2.82Å; E126-H129 PolarHBondContact O-N 3.36Å; E126-H130 WeakPolarHBondContact O-CB 3.38Å; E126-H130 PolarHBondContact O-N 2.95Å
127	H	67	Low	66.1	Low	60 Å²	60	85.2 Å²	85.2	28%	0.278	42%	0.422	S	S	.	.	H	α-helix	trans	-67	-39	178.9	-160.7	80	0	0	0	112	F123 N124 I125 H130 R131	F123-H127 WeakPolarHBondContact O-CB 3.44Å; F123-H127 PolarHBondContact O-N 2.79Å; N124-H127 PolarHBondContact O-N 2.75Å; I125-H127 PolarHBondContact O-N 3.35Å; H127-H130 PolarHBondContact O-N 2.93Å; H127-R131 PolarHBondContact CD2-NE 3.43Å; H127-R131 PolarHBondContact NE2-NE 3.07Å; H127-R131 VanDerWaalsContact NE2-NE 3.15Å; H127-R131 PolarHBondContact NE2-NH2 3.14Å; H127-R131 WeakPolarHBondContact O-CG 3.46Å; H127-R131 PolarHBondContact O-N 3.27Å
128	L	60	Low	63	Low	61 Å²	61	92.9 Å²	92.9	32%	0.319	46%	0.455	S	S	.	.	H	α-helix	trans	-58.8	-50	170.7	-93.5	154.3	0	0	0	111.6	V51 N124 I125 H130 R131 L132	V51-L128 HydrophobicContact CB-CD2 3.81Å; V51-L128 HydrophobicContact CG1-CD2 3.63Å; V51-L128 HydrophobicContact CG2-CD2 4Å; N124-L128 VanDerWaalsContact O-CB 3.27Å; N124-L128 WeakPolarHBondContact O-CB 3.49Å; N124-L128 WeakPolarHBondContact O-CD1 3.42Å; N124-L128 WeakPolarHBondContact O-CG 3.41Å; N124-L128 PolarHBondContact O-N 2.74Å; I125-L128 WeakPolarHBondContact O-CB 3.44Å; I125-L128 PolarHBondContact O-N 2.91Å; L128-H130 VanDerWaalsContact C-N 3.31Å; L128-H130 PolarHBondContact O-N 2.92Å; L128-R131 PolarHBondContact O-N 3.46Å; L128-L132 WeakPolarHBondContact O-CB 3.45Å; L128-L132 WeakPolarHBondContact O-CG 3.43Å; L128-L132 PolarHBondContact O-N 3.38Å
129	H	57.2	Low	60	Low	124 Å²	124	95.8 Å²	95.8	57%	0.574	48%	0.475	S	S	*	.	H	α-helix	trans	-60.6	-39.4	177.3	-79.3	-62.6	0	0	0	112.5	I125 E126 L132 S133	I125-H129 PolarHBondContact O-CD2 3.37Å; I125-H129 PolarHBondContact O-N 3.3Å; E126-H129 PolarHBondContact O-N 3.36Å; H129-L132 PolarHBondContact O-N 3.5Å; H129-S133 WeakPolarHBondContact O-CB 3.37Å; H129-S133 PolarHBondContact O-N 2.96Å; H129-S133 PolarHBondContact O-OG 2.81Å
130	H	57.8	Low	57.1	Low	93 Å²	93	99.7 Å²	99.7	43%	0.431	50%	0.499	S	S	.	.	H	α-helix	trans	-69	-35.9	177.6	-178.8	-101.2	0	0	0	112.8	E126 H127 L128 S133 K134	E126-H130 WeakPolarHBondContact O-CB 3.38Å; E126-H130 PolarHBondContact O-N 2.95Å; H127-H130 PolarHBondContact O-N 2.93Å; L128-H130 VanDerWaalsContact C-N 3.31Å; L128-H130 PolarHBondContact O-N 2.92Å; H130-S133 PolarHBondContact O-OG 3.08Å; H130-K134 WeakPolarHBondContact CE1-CE 3.31Å; H130-K134 PolarHBondContact CE1-NZ 3.41Å; H130-K134 VanDerWaalsContact CE1-NZ 3.26Å; H130-K134 VanDerWaalsContact NE2-CE 3.3Å; H130-K134 WeakPolarHBondContact NE2-CE 3.02Å; H130-K134 PolarHBondContact O-N 3.25Å
131	R	54.2	Low	54.1	Low	101 Å²	101	103.7 Å²	103.7	38%	0.381	52%	0.523	S	S	.	.	H	α-helix	trans	-66.1	-45.1	171.6	-74.1	-174.1	-174.4	-165.1	2.9	111.6	H127 L128 S133 K134 T135	H127-R131 PolarHBondContact CD2-NE 3.43Å; H127-R131 PolarHBondContact NE2-NE 3.07Å; H127-R131 VanDerWaalsContact NE2-NE 3.15Å; H127-R131 PolarHBondContact NE2-NH2 3.14Å; H127-R131 WeakPolarHBondContact O-CG 3.46Å; H127-R131 PolarHBondContact O-N 3.27Å; L128-R131 PolarHBondContact O-N 3.46Å; R131-S133 VanDerWaalsContact C-N 3.33Å; R131-S133 PolarHBondContact O-N 3.39Å; R131-K134 PolarHBondContact O-N 3.26Å; R131-T135 PolarHBondContact O-N 2.94Å; R131-T135 PolarHBondContact O-OG1 3.03Å
132	L	49.1	Very low	51.1	Low	105 Å²	105	109.4 Å²	109.4	55%	0.55	55%	0.548	S	S	.	.	H	α-helix	trans	-68.1	-29.1	179.5	-69.6	170.7	0	0	0	113.3	L128 H129 T135	L128-L132 WeakPolarHBondContact O-CB 3.45Å; L128-L132 WeakPolarHBondContact O-CG 3.43Å; L128-L132 PolarHBondContact O-N 3.38Å; H129-L132 PolarHBondContact O-N 3.5Å; L132-T135 WeakPolarHBondContact CA-OG1 3.19Å; L132-T135 PolarHBondContact O-OG1 2.86Å; L132-T135 VanDerWaalsContact O-OG1 3.05Å
133	S	48.3	Very low	48.2	Very low	66 Å²	66	111.9 Å²	111.9	46%	0.462	55%	0.554	S	S	.	*	H	α-helix	trans	-75.6	-33.4	176.4	68.3	0	0	0	0	112.3	H129 H130 R131	H129-S133 WeakPolarHBondContact O-CB 3.37Å; H129-S133 PolarHBondContact O-N 2.96Å; H129-S133 PolarHBondContact O-OG 2.81Å; H130-S133 PolarHBondContact O-OG 3.08Å; R131-S133 VanDerWaalsContact C-N 3.33Å; R131-S133 PolarHBondContact O-N 3.39Å
134	K	46	Very low	45.5	Very low	102 Å²	102	113.9 Å²	113.9	44%	0.443	57%	0.573	S	S	.	*	H	α-helix	trans	-72.3	-32.5	174.9	-75.8	-172.5	175.5	-178.8	0	113.5	H130 R131 K136 L137	H130-K134 WeakPolarHBondContact CE1-CE 3.31Å; H130-K134 PolarHBondContact CE1-NZ 3.41Å; H130-K134 VanDerWaalsContact CE1-NZ 3.26Å; H130-K134 VanDerWaalsContact NE2-CE 3.3Å; H130-K134 WeakPolarHBondContact NE2-CE 3.02Å; H130-K134 PolarHBondContact O-N 3.25Å; R131-K134 PolarHBondContact O-N 3.26Å; K134-K136 PolarHBondContact O-N 2.93Å; K134-L137 PolarHBondContact O-N 3.26Å
135	T	42.6	Very low	43.1	Very low	101 Å²	101	118.8 Å²	118.8	62%	0.62	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-14.7	179.1	48.1	0	0	0	0	114.1	R131 L132 L137	R131-T135 PolarHBondContact O-N 2.94Å; R131-T135 PolarHBondContact O-OG1 3.03Å; L132-T135 WeakPolarHBondContact CA-OG1 3.19Å; L132-T135 PolarHBondContact O-OG1 2.86Å; L132-T135 VanDerWaalsContact O-OG1 3.05Å; T135-L137 PolarHBondContact O-N 3.47Å
136	K	37.9	Very low	40.8	Very low	189 Å²	189	118.5 Å²	118.5	82%	0.822	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	0	172.9	-75.1	-173.4	176.9	180	0	114.4	K134	K134-K136 PolarHBondContact O-N 2.93Å
137	L	30.9	Very low	38.9	Very low	126 Å²	126	121.4 Å²	121.4	66%	0.66	61%	0.61	S	S	*	*	S	Bend	trans	-107.9	100.2	177.1	-79.9	148	0	0	0	111.1	K134 T135	K134-L137 PolarHBondContact O-N 3.26Å; T135-L137 PolarHBondContact O-N 3.47Å
138	K	27.7	Very low	37.5	Very low	171 Å²	171	123.1 Å²	123.1	74%	0.743	62%	0.617	S	S	*	*			trans	69	119.2	170.2	-66	-175	177.9	179.1	0	117.6	N140	K138-N140 PolarHBondContact O-N 3.36Å
139	P	26.8	Very low	36.6	Very low	136 Å²	136	122 Å²	122	88%	0.883	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	3.1	177.7	-13.5	28.5	0	0	0	116
140	N	28.5	Very low	36	Very low	157 Å²	157	126.7 Å²	126.7	84%	0.84	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.6	15.2	-167.3	-86.3	-4.5	0	0	0	114.9	K138	K138-N140 PolarHBondContact O-N 3.36Å
141	T	26.8	Very low	36.5	Very low	84 Å²	84	125.4 Å²	125.4	52%	0.515	62%	0.624	S	S	.	*			trans	-98.8	107.1	160.5	30.3	0	0	0	0	107.4	Y143	T141-Y143 PolarHBondContact O-N 3.35Å
142	Q	22.6	Very low	37.1	Very low	193 Å²	193	128.5 Å²	128.5	90%	0.902	64%	0.643	S	S	*	*			trans	-50.7	96.8	151.9	-79.2	176.9	-20.6	0	0	105.6	S144	Q142-S144 PolarHBondContact O-N 2.95Å
143	Y	25.1	Very low	38.6	Very low	154 Å²	154	125.9 Å²	125.9	60%	0.604	63%	0.633	S	S	*	*			trans	-63.7	89.4	158.5	-93.4	-81.9	0	0	0	103.9	T141 H145	T141-Y143 PolarHBondContact O-N 3.35Å; Y143-H145 PolarHBondContact O-N 2.86Å
144	S	23.7	Very low	40.4	Very low	80 Å²	80	123.8 Å²	123.8	56%	0.559	62%	0.619	S	S	*	*			trans	-48.1	128	165.2	57.4	0	0	0	0	105.8	Q142 S146	Q142-S144 PolarHBondContact O-N 2.95Å; S144-S146 PolarHBondContact O-N 3.47Å; S144-S146 PolarHBondContact O-OG 3.05Å; S144-S146 VanDerWaalsContact OG-CB 3.32Å; S144-S146 WeakPolarHBondContact OG-CB 3.29Å; S144-S146 PolarHBondContact OG-OG 3.49Å
145	H	27.1	Very low	42.3	Very low	169 Å²	169	121 Å²	121	78%	0.782	61%	0.609	S	S	*	*			trans	-62.9	35.2	169.4	-77.9	-86.4	0	0	0	111.5	Y143 K147	Y143-H145 PolarHBondContact O-N 2.86Å; H145-K147 VanDerWaalsContact C-N 3.31Å; H145-K147 PolarHBondContact O-N 3.16Å
146	S	26	Very low	44.3	Very low	88 Å²	88	119.1 Å²	119.1	62%	0.615	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	20.8	-163.1	61.9	0	0	0	0	115.1	S144	S144-S146 PolarHBondContact O-N 3.47Å; S144-S146 PolarHBondContact O-OG 3.05Å; S144-S146 VanDerWaalsContact OG-CB 3.32Å; S144-S146 WeakPolarHBondContact OG-CB 3.29Å; S144-S146 PolarHBondContact OG-OG 3.49Å
147	K	32.3	Very low	46.4	Very low	190 Å²	190	117.7 Å²	117.7	83%	0.826	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	-1.1	169.8	-87.7	-166.3	173.8	-167.9	0	115.2	H145	H145-K147 VanDerWaalsContact C-N 3.31Å; H145-K147 PolarHBondContact O-N 3.16Å
148	F	36.6	Very low	49	Very low	95 Å²	95	113.9 Å²	113.9	42%	0.417	58%	0.577	S	S	.	*	S	Bend	trans	-96.2	147.1	171.9	-61	-72.4	0	0	0	108.5	M55 K150	M55-F148 HydrophobicContact SD-CD1 3.47Å; M55-F148 WeakPolarHBondContact SD-CD1 3.49Å; M55-F148 HydrophobicContact SD-CE1 3.49Å; M55-F148 WeakPolarHBondContact SD-CE1 3.45Å; F148-K150 PolarHBondContact O-N 3.46Å
149	S	41.7	Very low	52	Low	38 Å²	38	105.8 Å²	105.8	27%	0.266	54%	0.542	S	S	.	.			trans	-42.8	139.7	-174.3	80	0	0	0	0	110	R151 A205	S149-R151 PolarHBondContact O-N 3.35Å; S149-A205 PolarHBondContact OG-O 3.1Å
150	K	45.3	Very low	55.1	Low	223 Å²	223	100 Å²	100	97%	0.97	50%	0.503	S	S	*	.	S	Bend	trans	-57.2	6.7	179.2	-74.6	-179.5	174.6	178.3	0	113.7	F148	F148-K150 PolarHBondContact O-N 3.46Å
151	R	66.5	Low	58.2	Low	66 Å²	66	93.9 Å²	93.9	25%	0.249	47%	0.47	C	S	.	.	S	Bend	trans	-100.6	121	-172.4	-58.7	178.4	173.7	-175.4	-0.1	108.4	S149 S153 Y204	S149-R151 PolarHBondContact O-N 3.35Å; R151-S153 PolarHBondContact O-N 3.33Å; R151-Y204 HydrophobicContact CB-CD1 3.86Å; R151-Y204 HydrophobicContact CB-CE1 3.72Å; R151-Y204 WeakPolarHBondContact CD-O 3.37Å; R151-Y204 HydrophobicContact CG-CD1 4Å; R151-Y204 HydrophobicContact CG-CE1 3.45Å; R151-Y204 VanDerWaalsContact CG-CE1 3.45Å; R151-Y204 VanDerWaalsContact CZ-CE2 3.49Å; R151-Y204 PolarHBondContact NE-OH 2.73Å; R151-Y204 PolarHBondContact NH1-O 3.38Å
152	E	68.5	Low	61.3	Low	166 Å²	166	92.1 Å²	92.1	78%	0.776	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-63.8	120.5	177.9	-65	179.7	165.6	0	0	110.5
153	S	80.1	Confident	64.7	Low	49 Å²	49	83.5 Å²	83.5	34%	0.343	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-85	154	169.2	169	0	0	0	0	110.4	R151 L155 D202	R151-S153 PolarHBondContact O-N 3.33Å; S153-L155 VanDerWaalsContact OG-CG 3.3Å; S153-L155 WeakPolarHBondContact OG-CG 3.41Å; S153-L155 PolarHBondContact OG-N 2.83Å; S153-L155 VanDerWaalsContact OG-N 3.15Å; S153-D202 PolarHBondContact OG-OD1 3.39Å
154	S	84.6	Confident	68.1	Low	23 Å²	23	76.1 Å²	76.1	16%	0.161	39%	0.388	C	S	.	.			trans	-99.6	11.4	174.4	53.6	0	0	0	0	113.9	R198 D202	S154-R198 WeakPolarHBondContact OG-CA 3.33Å; S154-R198 VanDerWaalsContact OG-CG 3.24Å; S154-R198 WeakPolarHBondContact OG-CG 3.26Å; S154-R198 PolarHBondContact OG-O 3.16Å; S154-D202 PolarHBondContact N-OD1 2.87Å; S154-D202 PolarHBondContact OG-OD1 3.09Å; S154-D202 PolarHBondContact OG-OD2 3.23Å; S154-D202 VanDerWaalsContact OG-OD2 3.08Å
155	L	86.1	Confident	71.6	Confident	44 Å²	44	72.3 Å²	72.3	23%	0.23	36%	0.361	C	S	.	.			trans	-63.6	143.5	172.7	-64.9	-176.4	0	0	0	111.2	P54 S153 D159 I161 V180 Y182 D202 F206	P54-L155 HydrophobicContact CG-CD1 3.78Å; S153-L155 VanDerWaalsContact OG-CG 3.3Å; S153-L155 WeakPolarHBondContact OG-CG 3.41Å; S153-L155 PolarHBondContact OG-N 2.83Å; S153-L155 VanDerWaalsContact OG-N 3.15Å; L155-D159 WeakPolarHBondContact CA-OD2 3.32Å; L155-I161 HydrophobicContact CD1-CD1 4.24Å; L155-V180 HydrophobicContact CD2-CB 4.46Å; L155-V180 HydrophobicContact CD2-CG1 3.4Å; L155-V180 VanDerWaalsContact CD2-CG1 3.4Å; L155-V180 HydrophobicContact CD2-CG2 4.43Å; L155-Y182 HydrophobicContact CD2-CE1 4.08Å; L155-D202 PolarHBondContact N-OD1 3.06Å; L155-F206 HydrophobicContact CD1-CE2 3.63Å; L155-F206 HydrophobicContact CD1-CZ 3.73Å; L155-F206 HydrophobicContact CG-CE2 4.17Å
156	T	84.5	Confident	74.9	Confident	61 Å²	61	64.7 Å²	64.7	37%	0.374	33%	0.326	S	S	.	.			trans	-122.7	165.5	-174.9	64.1	0	0	0	0	111	S158 D159	T156-S158 PolarHBondContact O-N 2.83Å; T156-S158 PolarHBondContact OG1-OG 2.93Å; T156-D159 PolarHBondContact N-OD2 2.76Å; T156-D159 PolarHBondContact O-N 3.07Å; T156-D159 VanDerWaalsContact O-N 3.16Å; T156-D159 PolarHBondContact OG1-OD1 3.47Å; T156-D159 PolarHBondContact OG1-OD2 2.79Å
157	E	83	Confident	78.2	Confident	158 Å²	158	63.5 Å²	63.5	74%	0.738	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-16.3	176.6	-55.5	-166.7	154.7	0	0	114	F50	F50-E157 HydrophobicContact CD1-CB 4.37Å; F50-E157 WeakPolarHBondContact CD2-O 3.48Å; F50-E157 HydrophobicContact CE1-CB 3.68Å; F50-E157 HydrophobicContact CE1-CG 3.78Å; F50-E157 HydrophobicContact CE2-CB 3.99Å; F50-E157 HydrophobicContact CE2-CG 4.4Å; F50-E157 WeakPolarHBondContact CE2-O 3.31Å; F50-E157 WeakPolarHBondContact CG-O 3.31Å; F50-E157 HydrophobicContact CZ-CB 3.5Å; F50-E157 VanDerWaalsContact CZ-CB 3.5Å; F50-E157 HydrophobicContact CZ-CG 3.53Å
158	S	86.2	Confident	81.2	Confident	47 Å²	47	56.6 Å²	56.6	33%	0.329	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.8	176.4	47.3	0	0	0	0	113.9	T156 H160 W183	T156-S158 PolarHBondContact O-N 2.83Å; T156-S158 PolarHBondContact OG1-OG 2.93Å; S158-H160 PolarHBondContact O-NE2 2.9Å; S158-W183 WeakPolarHBondContact O-CB 3.21Å
159	D	89.8	Confident	83.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.285	C	S	.	.			trans	-80.8	135.9	-180	-60.6	-36.2	0	0	0	111	L155 T156 V180 E181 Y182 W183 R198	L155-D159 WeakPolarHBondContact CA-OD2 3.32Å; T156-D159 PolarHBondContact N-OD2 2.76Å; T156-D159 PolarHBondContact O-N 3.07Å; T156-D159 VanDerWaalsContact O-N 3.16Å; T156-D159 PolarHBondContact OG1-OD1 3.47Å; T156-D159 PolarHBondContact OG1-OD2 2.79Å; D159-V180 HydrophobicContact CB-CG1 4.22Å; D159-E181 WeakPolarHBondContact CA-O 3.33Å; D159-Y182 WeakPolarHBondContact OD1-CA 3.48Å; D159-W183 PolarHBondContact OD1-N 3.04Å; D159-R198 IonicContact OD1-CZ 3.74Å; D159-R198 IonicContact OD1-NH2 4Å; D159-R198 PolarHBondContact OD1-NH2 3.15Å; D159-R198 IonicContact OD2-CZ 3.65Å; D159-R198 IonicContact OD2-NH2 2.74Å; D159-R198 PolarHBondContact OD2-NH2 3.44Å
160	H	92.4	Very high	86.1	Confident	14 Å²	14	61.6 Å²	61.6	7%	0.065	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.4	179.5	-55	-76.4	0	0	0	109.5	S49 E98 L102 S158 E181	S49-H160 WeakPolarHBondContact CB-ND1 3.3Å; S49-H160 PolarHBondContact OG-CE1 3.36Å; S49-H160 PolarHBondContact OG-ND1 3.12Å; E98-H160 WeakPolarHBondContact CG-NE2 3.2Å; E98-H160 IonicContact OE1-CE1 3.14Å; E98-H160 IonicContact OE1-NE2 3.36Å; E98-H160 PolarHBondContact OE1-NE2 2.9Å; L102-H160 HydrophobicContact CD1-CB 3.6Å; S158-H160 PolarHBondContact O-NE2 2.9Å; H160-E181 HydrophobicContact CB-CB 4.23Å; H160-E181 PolarHBondContact N-O 3.47Å; H160-E181 VanDerWaalsContact N-O 3.08Å; H160-E181 PolarHBondContact O-N 3.29Å
161	I	92.3	Very high	88.1	Confident	30 Å²	30	55 Å²	55	15%	0.154	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.8	-172.4	-57.2	-179.5	0	0	0	110.1	G52 P54 L155 T178 V179 V180	G52-I161 WeakPolarHBondContact O-CD1 3.21Å; P54-I161 HydrophobicContact CB-CG2 4.43Å; L155-I161 HydrophobicContact CD1-CD1 4.24Å; I161-T178 HydrophobicContact CG2-CG2 3.48Å; I161-T178 VanDerWaalsContact CG2-CG2 3.48Å; I161-V179 WeakPolarHBondContact CA-O 3.47Å; I161-V180 HydrophobicContact CD1-CG2 4.42Å; I161-V180 HydrophobicContact CG1-CG1 4.4Å; I161-V180 HydrophobicContact CG1-CG2 4.2Å
162	Q	93	Very high	89.3	Confident	46 Å²	46	52.2 Å²	52.2	22%	0.215	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	137.7	174.4	-171.7	162.7	3.5	0	0	112.9	L102 N106 Y164 T178 V179	L102-Q162 HydrophobicContact CB-CB 4.4Å; L102-Q162 HydrophobicContact CD1-CB 4.19Å; L102-Q162 HydrophobicContact CD2-CB 4.48Å; N106-Q162 PolarHBondContact ND2-NE2 2.63Å; N106-Q162 PolarHBondContact ND2-OE1 3.48Å; N106-Q162 PolarHBondContact OD1-NE2 2.81Å; Q162-Y164 HydrophobicContact CB-CE2 3.79Å; Q162-Y164 HydrophobicContact CG-CE1 4.16Å; Q162-Y164 HydrophobicContact CG-CE2 3.78Å; Q162-Y164 WeakPolarHBondContact CG-OH 3.31Å; Q162-Y164 WeakPolarHBondContact O-CD2 3.48Å; Q162-Y164 VanDerWaalsContact O-CE2 3.27Å; Q162-Y164 WeakPolarHBondContact O-CE2 3.11Å; Q162-Y164 PolarHBondContact OE1-OH 3.06Å; Q162-T178 WeakPolarHBondContact O-CA 3.44Å; Q162-V179 PolarHBondContact N-O 2.81Å; Q162-V179 PolarHBondContact O-N 2.83Å
163	T	94.5	Very high	90.5	Very high	12 Å²	12	44.9 Å²	44.9	7%	0.074	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	140.5	177.9	-53.8	0	0	0	0	111.6	I56 L60 Q117 I120 Y177 T178	I56-T163 HydrophobicContact CD1-CG2 4.22Å; I56-T163 HydrophobicContact CG1-CG2 4.03Å; L60-T163 HydrophobicContact CD2-CG2 4.48Å; Q117-T163 PolarHBondContact NE2-O 3Å; I120-T163 HydrophobicContact CD1-CG2 4.46Å; I120-T163 HydrophobicContact CG2-CG2 4.43Å; T163-Y177 CarbonylContact C-O 3.51Å; T163-Y177 WeakPolarHBondContact CA-O 3.26Å; T163-T178 PolarHBondContact OG1-OG1 3.05Å
164	Y	95.9	Very high	91.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	167.4	-178.1	-56.5	-90.4	0	0	0	110.6	L102 L105 N106 C112 Q162 L176 Y177 V179	L102-Y164 VanDerWaalsContact C-OH 3.24Å; L102-Y164 WeakPolarHBondContact CA-OH 3.42Å; L102-Y164 WeakPolarHBondContact CB-OH 3.29Å; L102-Y164 HydrophobicContact CD2-CE2 4.44Å; L102-Y164 PolarHBondContact O-OH 3.25Å; L105-Y164 HydrophobicContact CB-CE1 3.96Å; L105-Y164 HydrophobicContact CD1-CE2 4.41Å; N106-Y164 WeakPolarHBondContact OD1-CE1 3.15Å; C112-Y164 HydrophobicContact CB-CD1 4.35Å; Q162-Y164 HydrophobicContact CB-CE2 3.79Å; Q162-Y164 HydrophobicContact CG-CE1 4.16Å; Q162-Y164 HydrophobicContact CG-CE2 3.78Å; Q162-Y164 WeakPolarHBondContact CG-OH 3.31Å; Q162-Y164 WeakPolarHBondContact O-CD2 3.48Å; Q162-Y164 VanDerWaalsContact O-CE2 3.27Å; Q162-Y164 WeakPolarHBondContact O-CE2 3.11Å; Q162-Y164 PolarHBondContact OE1-OH 3.06Å; Y164-L176 WeakPolarHBondContact O-CA 3.45Å; Y164-Y177 VanDerWaalsContact CB-CE1 3.45Å; Y164-Y177 WeakPolarHBondContact CB-OH 3.46Å; Y164-Y177 HydrophobicContact CD2-CD2 4.17Å; Y164-Y177 AromaticContact CD2-CE2 3.56Å; Y164-Y177 HydrophobicContact CD2-CE2 3.56Å; Y164-Y177 AromaticContact CD2-CZ 3.9Å; Y164-Y177 HydrophobicContact CE2-CE2 4.45Å; Y164-Y177 HydrophobicContact CG-CE1 4.38Å; Y164-Y177 AromaticContact CG-CE2 3.92Å; Y164-Y177 HydrophobicContact CG-CE2 3.92Å; Y164-Y177 AromaticContact CG-CZ 3.74Å; Y164-Y177 PolarHBondContact N-O 3.05Å; Y164-Y177 PolarHBondContact O-N 3.38Å; Y164-V179 HydrophobicContact CD2-CG2 3.97Å; Y164-V179 HydrophobicContact CE2-CB 4.25Å; Y164-V179 HydrophobicContact CE2-CG2 3.78Å
165	A	96.7	Very high	91.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.1	169.7	0	0	0	0	0	110.4	C112 D113 F116 I120 L176	C112-A165 WeakPolarHBondContact CA-O 3.3Å; D113-A165 PolarHBondContact N-O 3.29Å; F116-A165 HydrophobicContact CB-CB 4.42Å; F116-A165 HydrophobicContact CD1-CB 3.62Å; F116-A165 HydrophobicContact CE1-CB 4.39Å; F116-A165 HydrophobicContact CG-CB 4.39Å; I120-A165 HydrophobicContact CD1-CB 4.1Å; A165-L176 HydrophobicContact CB-CD2 3.44Å; A165-L176 VanDerWaalsContact CB-CD2 3.44Å
166	L	97	Very high	92.4	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.042	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-68.7	154	163.6	-66.2	-172.3	0	0	0	110.2	T110 F111 R174 I175 Y177 L261 L264	T110-L166 WeakPolarHBondContact O-CD2 3.36Å; F111-L166 HydrophobicContact CD1-CD2 4.35Å; L166-R174 PolarHBondContact O-NH1 3.4Å; L166-I175 HydrophobicContact CB-CB 4.38Å; L166-I175 HydrophobicContact CD1-CB 4.05Å; L166-I175 HydrophobicContact CD1-CD1 4.19Å; L166-I175 HydrophobicContact CD1-CG2 4.4Å; L166-I175 HydrophobicContact CG-CB 4.33Å; L166-I175 PolarHBondContact N-O 2.86Å; L166-Y177 HydrophobicContact CD2-CD1 4.46Å; L166-Y177 HydrophobicContact CD2-CE1 3.77Å; L166-Y177 HydrophobicContact CG-CD1 4.19Å; L166-Y177 HydrophobicContact CG-CE1 3.97Å; L166-L261 HydrophobicContact CD1-CD1 3.98Å; L166-L261 HydrophobicContact CD2-CD1 4.18Å; L166-L264 HydrophobicContact CD1-CB 3.99Å; L166-L264 HydrophobicContact CD1-CD1 4.13Å; L166-L264 HydrophobicContact CD2-CD1 4.04Å; L166-L264 HydrophobicContact CG-CD1 4.38Å
167	P	95.4	Very high	93	Very high	63 Å²	63	37.3 Å²	37.3	41%	0.409	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-54.2	151.2	165.8	-24.6	34.7	0	0	0	112	D169	P167-D169 PolarHBondContact O-N 2.83Å
168	I	95.1	Very high	93.7	Very high	46 Å²	46	29.8 Å²	29.8	24%	0.236	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-67.6	131.1	175.2	-57.1	173.7	0	0	0	109.1	I67 K69 C70 H173 R174	I67-I168 HydrophobicContact CG2-CD1 4.11Å; K69-I168 HydrophobicContact CB-CD1 4.1Å; C70-I168 HydrophobicContact CB-CD1 3.84Å; I168-H173 WeakPolarHBondContact CA-O 3.48Å; I168-R174 HydrophobicContact CG1-CB 4.29Å
169	D	91.7	Very high	94.2	Very high	68 Å²	68	27.6 Å²	27.6	36%	0.364	14%	0.144	S	C	.	.			trans	-78.7	178.4	179.8	80.5	5.4	0	0	0	113.5	P167 T171 G172 H173	P167-D169 PolarHBondContact O-N 2.83Å; D169-T171 PolarHBondContact O-N 3.38Å; D169-T171 VanDerWaalsContact O-N 3.12Å; D169-T171 VanDerWaalsContact OD1-CA 3.28Å; D169-T171 WeakPolarHBondContact OD1-CA 3.31Å; D169-T171 WeakPolarHBondContact OD1-CB 3.41Å; D169-T171 PolarHBondContact OD1-N 3.04Å; D169-T171 PolarHBondContact OD1-OG1 3.4Å; D169-T171 PolarHBondContact OD2-OG1 3.43Å; D169-G172 PolarHBondContact O-N 3.15Å; D169-G172 PolarHBondContact OD1-N 2.97Å; D169-G172 VanDerWaalsContact OD1-N 3.09Å; D169-H173 PolarHBondContact N-O 2.96Å; D169-H173 WeakPolarHBondContact OD1-CB 3.48Å; D169-H173 PolarHBondContact OD1-N 3.48Å
170	K	89.7	Confident	94.5	Very high	170 Å²	170	27.6 Å²	27.6	74%	0.739	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.6	179.5	68.3	179.9	-178.4	179	0	114.2
171	T	87.1	Confident	94.7	Very high	84 Å²	84	26.9 Å²	26.9	52%	0.515	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-0.6	179.7	75.1	0	0	0	0	112.5	D169 H173	D169-T171 PolarHBondContact O-N 3.38Å; D169-T171 VanDerWaalsContact O-N 3.12Å; D169-T171 VanDerWaalsContact OD1-CA 3.28Å; D169-T171 WeakPolarHBondContact OD1-CA 3.31Å; D169-T171 WeakPolarHBondContact OD1-CB 3.41Å; D169-T171 PolarHBondContact OD1-N 3.04Å; D169-T171 PolarHBondContact OD1-OG1 3.4Å; D169-T171 PolarHBondContact OD2-OG1 3.43Å; T171-H173 VanDerWaalsContact C-N 3.33Å
172	G	92.3	Very high	94.9	Very high	8 Å²	8	25.8 Å²	25.8	8%	0.082	14%	0.135	C	C	.	.	S	Bend	trans	79.4	16.2	-174.7	0	0	0	0	0	113	K69 C70 L71 S72 D169	K69-G172 WeakPolarHBondContact O-CA 3.21Å; C70-G172 CarbonylContact C-O 3.6Å; C70-G172 WeakPolarHBondContact CA-O 3.46Å; L71-G172 PolarHBondContact N-O 2.69Å; S72-G172 PolarHBondContact N-O 3.34Å; D169-G172 PolarHBondContact O-N 3.15Å; D169-G172 PolarHBondContact OD1-N 2.97Å; D169-G172 VanDerWaalsContact OD1-N 3.09Å
173	H	93.1	Very high	94.9	Very high	12 Å²	12	27.3 Å²	27.3	6%	0.056	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	137.5	178.6	-172.6	60.4	0	0	0	111.1	S72 S74 I168 D169 T171 G268	S72-H173 WeakPolarHBondContact O-CA 3.44Å; S72-H173 PolarHBondContact O-ND1 2.96Å; S72-H173 PolarHBondContact OG-ND1 3.16Å; S74-H173 PolarHBondContact N-CE1 3.02Å; S74-H173 PolarHBondContact OG-CE1 3.12Å; S74-H173 PolarHBondContact OG-NE2 3.34Å; S74-H173 VanDerWaalsContact OG-NE2 3.1Å; I168-H173 WeakPolarHBondContact CA-O 3.48Å; D169-H173 PolarHBondContact N-O 2.96Å; D169-H173 WeakPolarHBondContact OD1-CB 3.48Å; D169-H173 PolarHBondContact OD1-N 3.48Å; T171-H173 VanDerWaalsContact C-N 3.33Å; H173-G268 PolarHBondContact NE2-O 2.81Å; H173-G268 VanDerWaalsContact NE2-O 3.07Å
174	R	96	Very high	94.9	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.026	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.1	174.8	-175.6	177.9	-77	-99.7	5.5	110.4	S72 V73 S74 D113 F116 L166 I168 L176	S72-R174 PolarHBondContact O-N 3.32Å; V73-R174 CarbonylContact C-O 3.55Å; V73-R174 VanDerWaalsContact CA-O 3.23Å; V73-R174 WeakPolarHBondContact CA-O 3.46Å; V73-R174 HydrophobicContact CG2-CB 4.4Å; S74-R174 PolarHBondContact N-O 3.26Å; D113-R174 IonicContact OD2-CZ 2.87Å; D113-R174 VanDerWaalsContact OD2-CZ 3.25Å; D113-R174 IonicContact OD2-NH1 2.7Å; D113-R174 PolarHBondContact OD2-NH1 3.12Å; D113-R174 IonicContact OD2-NH2 3.37Å; D113-R174 PolarHBondContact OD2-NH2 3.15Å; F116-R174 VanDerWaalsContact CB-NH1 3.27Å; L166-R174 PolarHBondContact O-NH1 3.4Å; I168-R174 HydrophobicContact CG1-CB 4.29Å; R174-L176 HydrophobicContact CG-CD2 4.25Å
175	I	97.2	Very high	94.9	Very high	11 Å²	11	31.1 Å²	31.1	6%	0.056	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	115.1	172.6	-60.7	172.3	0	0	0	108	V76 L166 L264	V76-I175 HydrophobicContact CB-CG2 4.29Å; V76-I175 HydrophobicContact CG2-CG2 3.75Å; L166-I175 HydrophobicContact CB-CB 4.38Å; L166-I175 HydrophobicContact CD1-CB 4.05Å; L166-I175 HydrophobicContact CD1-CD1 4.19Å; L166-I175 HydrophobicContact CD1-CG2 4.4Å; L166-I175 HydrophobicContact CG-CB 4.33Å; L166-I175 PolarHBondContact N-O 2.86Å; I175-L264 WeakPolarHBondContact CD1-O 3.5Å
176	L	97.2	Very high	94.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	134.1	165	-57.5	-177.5	0	0	0	107.6	I56 L60 V61 V73 S74 R75 V76 F116 Y164 A165 R174	I56-L176 HydrophobicContact CD1-CB 3.82Å; I56-L176 HydrophobicContact CG2-CB 4.26Å; I56-L176 HydrophobicContact CG2-CD1 3.84Å; L60-L176 HydrophobicContact CD2-CD1 4.45Å; L60-L176 HydrophobicContact CG-CD1 4.19Å; V61-L176 HydrophobicContact CG2-CD1 4.24Å; V73-L176 HydrophobicContact CG1-CD1 3.89Å; V73-L176 HydrophobicContact CG1-CG 3.82Å; S74-L176 PolarHBondContact O-N 2.81Å; R75-L176 CarbonylContact C-O 3.5Å; R75-L176 WeakPolarHBondContact CA-O 3.39Å; V76-L176 PolarHBondContact N-O 2.99Å; F116-L176 HydrophobicContact CD1-CD2 4.16Å; F116-L176 HydrophobicContact CE1-CD2 3.74Å; Y164-L176 WeakPolarHBondContact O-CA 3.45Å; A165-L176 HydrophobicContact CB-CD2 3.44Å; A165-L176 VanDerWaalsContact CB-CD2 3.44Å; R174-L176 HydrophobicContact CG-CD2 4.25Å
177	Y	97.8	Very high	94.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.9	-179.8	70.1	-84.1	0	0	0	112	V76 V78 F111 T163 Y164 L166 V179 F260 L264	V76-Y177 CarbonylContact O-C 3.56Å; V76-Y177 WeakPolarHBondContact O-CA 3.23Å; V76-Y177 WeakPolarHBondContact O-CB 3.3Å; V78-Y177 HydrophobicContact CG2-CD2 3.76Å; V78-Y177 HydrophobicContact CG2-CG 4.43Å; F111-Y177 WeakPolarHBondContact O-CE1 3.39Å; F111-Y177 PolarHBondContact O-OH 3.38Å; T163-Y177 CarbonylContact C-O 3.51Å; T163-Y177 WeakPolarHBondContact CA-O 3.26Å; Y164-Y177 VanDerWaalsContact CB-CE1 3.45Å; Y164-Y177 WeakPolarHBondContact CB-OH 3.46Å; Y164-Y177 HydrophobicContact CD2-CD2 4.17Å; Y164-Y177 AromaticContact CD2-CE2 3.56Å; Y164-Y177 HydrophobicContact CD2-CE2 3.56Å; Y164-Y177 AromaticContact CD2-CZ 3.9Å; Y164-Y177 HydrophobicContact CE2-CE2 4.45Å; Y164-Y177 HydrophobicContact CG-CE1 4.38Å; Y164-Y177 AromaticContact CG-CE2 3.92Å; Y164-Y177 HydrophobicContact CG-CE2 3.92Å; Y164-Y177 AromaticContact CG-CZ 3.74Å; Y164-Y177 PolarHBondContact N-O 3.05Å; Y164-Y177 PolarHBondContact O-N 3.38Å; L166-Y177 HydrophobicContact CD2-CD1 4.46Å; L166-Y177 HydrophobicContact CD2-CE1 3.77Å; L166-Y177 HydrophobicContact CG-CD1 4.19Å; L166-Y177 HydrophobicContact CG-CE1 3.97Å; Y177-V179 HydrophobicContact CD2-CG2 3.78Å; Y177-V179 HydrophobicContact CE2-CG2 3.61Å; Y177-F260 HydrophobicContact CE2-CZ 4.11Å; Y177-L264 HydrophobicContact CD1-CD1 4.21Å; Y177-L264 HydrophobicContact CD1-CD2 4.3Å; Y177-L264 HydrophobicContact CD2-CD1 4.49Å; Y177-L264 HydrophobicContact CD2-CD2 4.05Å; Y177-L264 HydrophobicContact CE1-CD1 4.06Å; Y177-L264 HydrophobicContact CE2-CD1 4.35Å; Y177-L264 HydrophobicContact CG-CD1 4.42Å; Y177-L264 HydrophobicContact CG-CD2 3.85Å
178	T	96.9	Very high	94.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.5	174.1	-61.5	0	0	0	0	108.7	P54 I56 V76 V78 I161 Q162 T163	P54-T178 HydrophobicContact CB-CG2 4.12Å; P54-T178 VanDerWaalsContact O-CB 3.26Å; P54-T178 WeakPolarHBondContact O-CB 3.27Å; P54-T178 WeakPolarHBondContact O-CG2 3.43Å; P54-T178 PolarHBondContact O-OG1 3.35Å; I56-T178 VanDerWaalsContact CG1-OG1 3.29Å; I56-T178 WeakPolarHBondContact CG1-OG1 3.42Å; V76-T178 PolarHBondContact O-N 3.08Å; V78-T178 PolarHBondContact N-O 3.03Å; I161-T178 HydrophobicContact CG2-CG2 3.48Å; I161-T178 VanDerWaalsContact CG2-CG2 3.48Å; Q162-T178 WeakPolarHBondContact O-CA 3.44Å; T163-T178 PolarHBondContact OG1-OG1 3.05Å
179	V	97.1	Very high	94.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.5	171.6	-171.7	0	0	0	0	108.6	V78 F101 L102 L105 I161 Q162 Y164 Y177	V78-V179 HydrophobicContact CB-CB 4.33Å; V78-V179 HydrophobicContact CB-CG1 4.32Å; V78-V179 HydrophobicContact CB-CG2 4.01Å; V78-V179 HydrophobicContact CG1-CG1 4.27Å; V78-V179 HydrophobicContact CG1-CG2 4.38Å; V78-V179 HydrophobicContact CG2-CG2 4.28Å; V78-V179 CarbonylContact O-C 3.58Å; V78-V179 WeakPolarHBondContact O-CA 3.11Å; F101-V179 HydrophobicContact CD1-CG1 4.3Å; F101-V179 HydrophobicContact CE1-CG1 4.09Å; L102-V179 HydrophobicContact CD2-CB 3.53Å; L102-V179 HydrophobicContact CD2-CG1 3.47Å; L102-V179 VanDerWaalsContact CD2-CG1 3.47Å; L102-V179 HydrophobicContact CD2-CG2 4.34Å; L105-V179 HydrophobicContact CD1-CG2 4.25Å; I161-V179 WeakPolarHBondContact CA-O 3.47Å; Q162-V179 PolarHBondContact N-O 2.81Å; Q162-V179 PolarHBondContact O-N 2.83Å; Y164-V179 HydrophobicContact CD2-CG2 3.97Å; Y164-V179 HydrophobicContact CE2-CB 4.25Å; Y164-V179 HydrophobicContact CE2-CG2 3.78Å; Y177-V179 HydrophobicContact CD2-CG2 3.78Å; Y177-V179 HydrophobicContact CE2-CG2 3.61Å
180	V	96.6	Very high	94.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	109.7	164.9	179	0	0	0	0	106.9	P54 L77 V78 L79 Y80 L155 D159 I161 Y182	P54-V180 HydrophobicContact CB-CG2 3.91Å; L77-V180 HydrophobicContact CD1-CG2 3.81Å; V78-V180 PolarHBondContact O-N 2.89Å; L79-V180 HydrophobicContact CD2-CB 4.1Å; L79-V180 HydrophobicContact CD2-CG2 4.38Å; Y80-V180 PolarHBondContact N-O 3Å; L155-V180 HydrophobicContact CD2-CB 4.46Å; L155-V180 HydrophobicContact CD2-CG1 3.4Å; L155-V180 VanDerWaalsContact CD2-CG1 3.4Å; L155-V180 HydrophobicContact CD2-CG2 4.43Å; D159-V180 HydrophobicContact CB-CG1 4.22Å; I161-V180 HydrophobicContact CD1-CG2 4.42Å; I161-V180 HydrophobicContact CG1-CG1 4.4Å; I161-V180 HydrophobicContact CG1-CG2 4.2Å; V180-Y182 HydrophobicContact CG1-CD1 3.89Å; V180-Y182 HydrophobicContact CG1-CE1 3.96Å
181	E	96.8	Very high	95.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	110.6	170.4	-176.2	173.9	130.3	0	0	108.8	Y80 N99 L102 D159 H160 L185	Y80-E181 HydrophobicContact CD1-CB 4.13Å; Y80-E181 HydrophobicContact CD1-CG 3.64Å; Y80-E181 HydrophobicContact CE1-CG 4.04Å; N99-E181 VanDerWaalsContact CA-OE1 3.3Å; N99-E181 WeakPolarHBondContact CA-OE1 3.35Å; N99-E181 PolarHBondContact N-OE1 3.27Å; L102-E181 HydrophobicContact CD1-CB 4.15Å; L102-E181 HydrophobicContact CG-CB 4.34Å; D159-E181 WeakPolarHBondContact CA-O 3.33Å; H160-E181 HydrophobicContact CB-CB 4.23Å; H160-E181 PolarHBondContact N-O 3.47Å; H160-E181 VanDerWaalsContact N-O 3.08Å; H160-E181 PolarHBondContact O-N 3.29Å; E181-L185 HydrophobicContact CG-CD1 4.06Å; E181-L185 HydrophobicContact CG-CD2 3.89Å; E181-L185 HydrophobicContact CG-CG 4.13Å
182	Y	95.7	Very high	95.3	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.027	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	140	175	-74.3	-8.4	0	0	0	110.6	L79 Y80 T81 L155 D159 V180 P184 L185 R198 I199 D202	L79-Y182 HydrophobicContact CD2-CE1 4.2Å; Y80-Y182 WeakPolarHBondContact O-CB 3.5Å; Y80-Y182 PolarHBondContact O-N 3.28Å; T81-Y182 HydrophobicContact CG2-CD2 3.74Å; T81-Y182 HydrophobicContact CG2-CE2 3.83Å; L155-Y182 HydrophobicContact CD2-CE1 4.08Å; D159-Y182 WeakPolarHBondContact OD1-CA 3.48Å; V180-Y182 HydrophobicContact CG1-CD1 3.89Å; V180-Y182 HydrophobicContact CG1-CE1 3.96Å; Y182-P184 CarbonylContact O-C 3.53Å; Y182-L185 WeakPolarHBondContact O-CD2 3.39Å; Y182-L185 VanDerWaalsContact O-CG 3.3Å; Y182-L185 WeakPolarHBondContact O-CG 3.41Å; Y182-L185 PolarHBondContact O-N 3.31Å; Y182-R198 HydrophobicContact CE2-CG 3.99Å; Y182-I199 HydrophobicContact CE2-CG1 4.06Å; Y182-D202 WeakPolarHBondContact CE1-OD2 3.33Å; Y182-D202 PolarHBondContact OH-OD2 3.08Å
183	W	93.4	Very high	95.3	Very high	78 Å²	78	27.9 Å²	27.9	30%	0.295	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.9	167.7	-166.9	-110.7	0	0	0	111.8	E98 S158 D159 L185 R198	E98-W183 HydrophobicContact CB-CD2 4.39Å; E98-W183 HydrophobicContact CB-CE3 3.9Å; E98-W183 HydrophobicContact CB-CH2 3.52Å; E98-W183 HydrophobicContact CB-CZ2 4.01Å; E98-W183 HydrophobicContact CB-CZ3 3.44Å; E98-W183 VanDerWaalsContact CB-CZ3 3.44Å; E98-W183 HydrophobicContact CG-CD2 3.84Å; E98-W183 HydrophobicContact CG-CE3 3.66Å; E98-W183 HydrophobicContact CG-CH2 4.04Å; E98-W183 HydrophobicContact CG-CZ2 4.16Å; E98-W183 HydrophobicContact CG-CZ3 3.78Å; S158-W183 WeakPolarHBondContact O-CB 3.21Å; D159-W183 PolarHBondContact OD1-N 3.04Å; W183-L185 HydrophobicContact CE3-CG 4.4Å; W183-L185 HydrophobicContact CZ3-CB 4.49Å; W183-R198 PolarHBondContact O-NH1 2.56Å
184	P	94.8	Very high	95.3	Very high	79 Å²	79	32.4 Å²	32.4	51%	0.513	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-63.8	147.9	-13.2	30.4	-35.4	0	0	0	112.4	Y182 L186	Y182-P184 CarbonylContact O-C 3.53Å; P184-L186 HydrophobicContact CG-CD2 4.35Å
185	L	95.9	Very high	95.3	Very high	13 Å²	13	34.3 Å²	34.3	7%	0.068	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	135.6	166.4	-72.9	172.4	0	0	0	109.5	Y80 E181 Y182 W183	Y80-L185 HydrophobicContact CD1-CD1 4.43Å; Y80-L185 HydrophobicContact CD1-CD2 3.85Å; Y80-L185 HydrophobicContact CD2-CD2 4.3Å; Y80-L185 HydrophobicContact CE1-CD1 3.58Å; Y80-L185 HydrophobicContact CE1-CD2 3.67Å; Y80-L185 HydrophobicContact CE1-CG 4.29Å; Y80-L185 HydrophobicContact CE2-CD2 4.18Å; Y80-L185 HydrophobicContact CG-CD2 4.13Å; Y80-L185 WeakPolarHBondContact O-CD2 3.45Å; E181-L185 HydrophobicContact CG-CD1 4.06Å; E181-L185 HydrophobicContact CG-CD2 3.89Å; E181-L185 HydrophobicContact CG-CG 4.13Å; Y182-L185 WeakPolarHBondContact O-CD2 3.39Å; Y182-L185 VanDerWaalsContact O-CG 3.3Å; Y182-L185 WeakPolarHBondContact O-CG 3.41Å; Y182-L185 PolarHBondContact O-N 3.31Å; W183-L185 HydrophobicContact CE3-CG 4.4Å; W183-L185 HydrophobicContact CZ3-CB 4.49Å
186	L	95.1	Very high	95.3	Very high	40 Å²	40	35.7 Å²	35.7	21%	0.209	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	148.3	-173.7	-62.9	173.1	0	0	0	112.3	T81 G82 G83 P184 L191 E195	T81-L186 PolarHBondContact O-N 3.19Å; G82-L186 WeakPolarHBondContact CA-O 3.45Å; G83-L186 PolarHBondContact N-O 3.18Å; G83-L186 VanDerWaalsContact N-O 3.12Å; P184-L186 HydrophobicContact CG-CD2 4.35Å; L186-L191 HydrophobicContact CB-CD1 3.87Å; L186-L191 HydrophobicContact CD1-CD1 4.49Å; L186-L191 HydrophobicContact CD1-CG 4.41Å; L186-E195 HydrophobicContact CD1-CG 3.47Å; L186-E195 VanDerWaalsContact CD1-CG 3.47Å
187	D	93.8	Very high	95.3	Very high	54 Å²	54	39 Å²	39	29%	0.289	21%	0.207	S	C	.	.			trans	-68	139.6	155.8	-163.2	-46.3	0	0	0	108.2	S189 D190 L191	D187-S189 PolarHBondContact O-N 3.22Å; D187-S189 VanDerWaalsContact O-N 3.11Å; D187-S189 PolarHBondContact OD1-N 3.35Å; D187-S189 VanDerWaalsContact OD1-N 3.1Å; D187-S189 PolarHBondContact OD1-OG 3.17Å; D187-D190 PolarHBondContact O-N 3.07Å; D187-L191 WeakPolarHBondContact O-CD1 3.46Å
188	S	96.6	Very high	95.2	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-54.4	-26.8	175.8	50.9	0	0	0	0	114.6	D190 L191 G218 D220 T221	S188-D190 PolarHBondContact O-N 3.2Å; S188-L191 PolarHBondContact O-N 2.85Å; S188-G218 VanDerWaalsContact CB-C 3.48Å; S188-G218 WeakPolarHBondContact CB-O 3.32Å; S188-G218 WeakPolarHBondContact OG-CA 3.26Å; S188-G218 PolarHBondContact OG-O 3.42Å; S188-D220 WeakPolarHBondContact OG-CB 3.27Å; S188-D220 PolarHBondContact OG-N 3.42Å; S188-D220 VanDerWaalsContact OG-N 3.13Å; S188-T221 WeakPolarHBondContact CB-OG1 3.43Å; S188-T221 WeakPolarHBondContact O-CB 3.44Å; S188-T221 WeakPolarHBondContact O-CG2 3.45Å; S188-T221 PolarHBondContact O-OG1 2.94Å
189	S	95.3	Very high	95.2	Very high	71 Å²	71	40.7 Å²	40.7	50%	0.497	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-65	-25	173.8	60.8	0	0	0	0	114.1	D187	D187-S189 PolarHBondContact O-N 3.22Å; D187-S189 VanDerWaalsContact O-N 3.11Å; D187-S189 PolarHBondContact OD1-N 3.35Å; D187-S189 VanDerWaalsContact OD1-N 3.1Å; D187-S189 PolarHBondContact OD1-OG 3.17Å
190	D	95.3	Very high	95.2	Very high	114 Å²	114	40.7 Å²	40.7	61%	0.61	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-97.2	-3.3	-176.7	-62.9	-31.8	0	0	0	112.8	D187 S188	D187-D190 PolarHBondContact O-N 3.07Å; S188-D190 PolarHBondContact O-N 3.2Å
191	L	92.5	Very high	95.2	Very high	26 Å²	26	42.8 Å²	42.8	14%	0.136	22%	0.224	C	C	.	.			trans	-67.8	138.8	177.8	-94.1	94.8	0	0	0	112	L186 D187 S188 E195 H217	L186-L191 HydrophobicContact CB-CD1 3.87Å; L186-L191 HydrophobicContact CD1-CD1 4.49Å; L186-L191 HydrophobicContact CD1-CG 4.41Å; D187-L191 WeakPolarHBondContact O-CD1 3.46Å; S188-L191 PolarHBondContact O-N 2.85Å; L191-E195 HydrophobicContact CD2-CB 3.68Å; L191-E195 HydrophobicContact CD2-CG 4.31Å; L191-E195 HydrophobicContact CG-CB 3.93Å; L191-E195 HydrophobicContact CG-CG 4.05Å; L191-H217 WeakPolarHBondContact CD2-NE2 3.32Å
192	S	91.3	Very high	95.1	Very high	48 Å²	48	42.8 Å²	42.8	34%	0.336	22%	0.224	S	C	.	.			trans	-124.5	-175.4	178.6	80.4	0	0	0	0	111.9	N194 E195 W196	S192-N194 PolarHBondContact O-N 3.38Å; S192-N194 PolarHBondContact OG-N 3.47Å; S192-E195 WeakPolarHBondContact CA-OE2 3.34Å; S192-E195 WeakPolarHBondContact CB-OE2 3.37Å; S192-E195 PolarHBondContact N-OE2 2.99Å; S192-E195 PolarHBondContact O-N 3.05Å; S192-E195 PolarHBondContact OG-OE2 3.3Å; S192-W196 PolarHBondContact O-N 3.31Å
193	M	92.7	Very high	95.2	Very high	23 Å²	23	42.5 Å²	42.5	11%	0.113	22%	0.222	C	C	.	.	H	α-helix	trans	-56.5	-29.3	173.1	-175.4	61.8	-149.6	0	0	112.9	W196 K197 M232 T337 L339	M193-W196 HydrophobicContact SD-CE3 3.81Å; M193-W196 HydrophobicContact SD-CZ3 4.42Å; M193-K197 WeakPolarHBondContact O-CB 3.41Å; M193-K197 PolarHBondContact O-N 3.45Å; M193-M232 HydrophobicContact CE-CE 3.94Å; M193-M232 HydrophobicContact CE-SD 4.46Å; M193-T337 WeakPolarHBondContact CE-O 3.46Å; M193-L339 HydrophobicContact CE-CB 3.81Å; M193-L339 HydrophobicContact CE-CD1 4.06Å; M193-L339 HydrophobicContact CE-CG 3.64Å; M193-L339 HydrophobicContact SD-CB 3.72Å; M193-L339 HydrophobicContact SD-CD1 3.92Å; M193-L339 HydrophobicContact SD-CG 3.94Å
194	N	94	Very high	95.3	Very high	108 Å²	108	41.8 Å²	41.8	58%	0.578	22%	0.22	S	C	*	.	H	α-helix	trans	-65.5	-42	179.9	-68.2	-34.4	0	0	0	111.6	S192 K197 R198	S192-N194 PolarHBondContact O-N 3.38Å; S192-N194 PolarHBondContact OG-N 3.47Å; N194-K197 WeakPolarHBondContact O-CB 3.29Å; N194-K197 PolarHBondContact O-N 2.92Å; N194-R198 PolarHBondContact O-N 3.2Å
195	E	95.3	Very high	95.1	Very high	47 Å²	47	38.1 Å²	38.1	22%	0.22	20%	0.196	C	C	.	.	H	α-helix	trans	-70.5	-39.1	179.9	-70.7	62.4	-123	0	0	111	L186 L191 S192 K197 R198 I199	L186-E195 HydrophobicContact CD1-CG 3.47Å; L186-E195 VanDerWaalsContact CD1-CG 3.47Å; L191-E195 HydrophobicContact CD2-CB 3.68Å; L191-E195 HydrophobicContact CD2-CG 4.31Å; L191-E195 HydrophobicContact CG-CB 3.93Å; L191-E195 HydrophobicContact CG-CG 4.05Å; S192-E195 WeakPolarHBondContact CA-OE2 3.34Å; S192-E195 WeakPolarHBondContact CB-OE2 3.37Å; S192-E195 PolarHBondContact N-OE2 2.99Å; S192-E195 PolarHBondContact O-N 3.05Å; S192-E195 PolarHBondContact OG-OE2 3.3Å; E195-K197 VanDerWaalsContact C-N 3.32Å; E195-K197 PolarHBondContact O-N 3.14Å; E195-R198 WeakPolarHBondContact O-CB 3.37Å; E195-R198 PolarHBondContact O-N 3.23Å; E195-I199 VanDerWaalsContact O-CG1 3.29Å; E195-I199 WeakPolarHBondContact O-CG1 3.46Å; E195-I199 PolarHBondContact O-N 3.44Å
196	W	96.8	Very high	95	Very high	40 Å²	40	38.4 Å²	38.4	15%	0.152	20%	0.197	C	C	.	.	H	α-helix	trans	-60.4	-42.7	171.5	-65.6	-15.9	0	0	0	112.2	S192 M193 R198 I199 A200 T225 A228 M232 L339 T438	S192-W196 PolarHBondContact O-N 3.31Å; M193-W196 HydrophobicContact SD-CE3 3.81Å; M193-W196 HydrophobicContact SD-CZ3 4.42Å; W196-R198 VanDerWaalsContact C-N 3.35Å; W196-I199 PolarHBondContact O-N 2.96Å; W196-A200 WeakPolarHBondContact O-CB 3.34Å; W196-A200 PolarHBondContact O-N 3.42Å; W196-T225 PolarHBondContact NE1-OG1 3.31Å; W196-A228 HydrophobicContact CD2-CB 3.65Å; W196-A228 HydrophobicContact CE3-CB 3.62Å; W196-A228 HydrophobicContact CG-CB 4.24Å; W196-A228 HydrophobicContact CH2-CB 4.14Å; W196-A228 HydrophobicContact CZ2-CB 4.17Å; W196-A228 HydrophobicContact CZ3-CB 3.88Å; W196-M232 HydrophobicContact CB-CE 4.16Å; W196-M232 HydrophobicContact CB-SD 3.87Å; W196-L339 HydrophobicContact CE3-CD1 4.39Å; W196-T438 HydrophobicContact CH2-CG2 4.44Å
197	K	96.5	Very high	94.9	Very high	69 Å²	69	36.7 Å²	36.7	30%	0.3	19%	0.188	S	C	.	.	H	α-helix	trans	-59.9	-45.9	175.1	165.9	173	178.9	-170.5	0	111	M193 N194 E195 A200 Q201 T337	M193-K197 WeakPolarHBondContact O-CB 3.41Å; M193-K197 PolarHBondContact O-N 3.45Å; N194-K197 WeakPolarHBondContact O-CB 3.29Å; N194-K197 PolarHBondContact O-N 2.92Å; E195-K197 VanDerWaalsContact C-N 3.32Å; E195-K197 PolarHBondContact O-N 3.14Å; K197-A200 PolarHBondContact O-N 3.17Å; K197-Q201 HydrophobicContact CG-CG 4.27Å; K197-Q201 WeakPolarHBondContact O-CB 3.31Å; K197-Q201 VanDerWaalsContact O-CG 3.3Å; K197-Q201 WeakPolarHBondContact O-CG 3.47Å; K197-Q201 PolarHBondContact O-N 3.12Å; K197-T337 HydrophobicContact CG-CG2 4.08Å
198	R	95.7	Very high	94.6	Very high	36 Å²	36	37 Å²	37	14%	0.136	19%	0.19	C	C	.	.	H	α-helix	trans	-57.4	-51.8	177.8	-169	-176.4	179.3	177.8	-0.3	111.7	S154 D159 Y182 W183 N194 E195 W196 A200 Q201 D202	S154-R198 WeakPolarHBondContact OG-CA 3.33Å; S154-R198 VanDerWaalsContact OG-CG 3.24Å; S154-R198 WeakPolarHBondContact OG-CG 3.26Å; S154-R198 PolarHBondContact OG-O 3.16Å; D159-R198 IonicContact OD1-CZ 3.74Å; D159-R198 IonicContact OD1-NH2 4Å; D159-R198 PolarHBondContact OD1-NH2 3.15Å; D159-R198 IonicContact OD2-CZ 3.65Å; D159-R198 IonicContact OD2-NH2 2.74Å; D159-R198 PolarHBondContact OD2-NH2 3.44Å; Y182-R198 HydrophobicContact CE2-CG 3.99Å; W183-R198 PolarHBondContact O-NH1 2.56Å; N194-R198 PolarHBondContact O-N 3.2Å; E195-R198 WeakPolarHBondContact O-CB 3.37Å; E195-R198 PolarHBondContact O-N 3.23Å; W196-R198 VanDerWaalsContact C-N 3.35Å; R198-A200 VanDerWaalsContact C-N 3.32Å; R198-A200 PolarHBondContact O-N 2.76Å; R198-Q201 PolarHBondContact O-N 3.05Å; R198-D202 PolarHBondContact O-N 2.95Å
199	I	97.6	Very high	94.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55.6	-47.6	176.8	-62.8	161.8	0	0	0	110.7	L79 T81 Y182 E195 W196 D202 I203 V215 T225 L229	L79-I199 HydrophobicContact CD1-CG2 4.03Å; T81-I199 HydrophobicContact CG2-CD1 3.98Å; T81-I199 HydrophobicContact CG2-CG1 4.02Å; Y182-I199 HydrophobicContact CE2-CG1 4.06Å; E195-I199 VanDerWaalsContact O-CG1 3.29Å; E195-I199 WeakPolarHBondContact O-CG1 3.46Å; E195-I199 PolarHBondContact O-N 3.44Å; W196-I199 PolarHBondContact O-N 2.96Å; I199-D202 PolarHBondContact O-N 3Å; I199-I203 HydrophobicContact CG2-CD1 3.83Å; I199-I203 VanDerWaalsContact O-CG1 3.32Å; I199-I203 WeakPolarHBondContact O-CG1 3.48Å; I199-I203 PolarHBondContact O-N 2.61Å; I199-V215 HydrophobicContact CD1-CG1 4.3Å; I199-V215 HydrophobicContact CG2-CG2 4.04Å; I199-T225 HydrophobicContact CD1-CG2 4.17Å; I199-L229 HydrophobicContact CB-CD2 4.27Å; I199-L229 HydrophobicContact CG2-CD1 3.8Å; I199-L229 HydrophobicContact CG2-CD2 3.92Å
200	A	97.6	Very high	94.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.7	-38.6	-179.1	0	0	0	0	0	113.1	W196 K197 R198 Y204 L229 M232 L233	W196-A200 WeakPolarHBondContact O-CB 3.34Å; W196-A200 PolarHBondContact O-N 3.42Å; K197-A200 PolarHBondContact O-N 3.17Å; R198-A200 VanDerWaalsContact C-N 3.32Å; R198-A200 PolarHBondContact O-N 2.76Å; A200-Y204 VanDerWaalsContact O-CB 3.3Å; A200-Y204 WeakPolarHBondContact O-CB 3.36Å; A200-Y204 PolarHBondContact O-N 2.77Å; A200-L229 HydrophobicContact CB-CD2 4.34Å; A200-M232 HydrophobicContact CB-CE 3.79Å; A200-L233 HydrophobicContact CB-CD2 3.91Å
201	Q	96.3	Very high	94	Very high	44 Å²	44	32.2 Å²	32.2	21%	0.206	16%	0.157	C	C	.	.	H	α-helix	trans	-65.5	-43.9	177	-75.3	-180	-62.8	0	0	111.8	K197 R198 Y204 A205 I335 T337	K197-Q201 HydrophobicContact CG-CG 4.27Å; K197-Q201 WeakPolarHBondContact O-CB 3.31Å; K197-Q201 VanDerWaalsContact O-CG 3.3Å; K197-Q201 WeakPolarHBondContact O-CG 3.47Å; K197-Q201 PolarHBondContact O-N 3.12Å; R198-Q201 PolarHBondContact O-N 3.05Å; Q201-Y204 WeakPolarHBondContact O-CB 3.46Å; Q201-Y204 PolarHBondContact O-N 2.9Å; Q201-A205 WeakPolarHBondContact O-CB 3.45Å; Q201-A205 PolarHBondContact O-N 3.29Å; Q201-I335 HydrophobicContact CG-CD1 4.09Å; Q201-T337 HydrophobicContact CG-CG2 3.91Å
202	D	95.7	Very high	94.2	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69.1	-41.1	179	-70	-29.1	0	0	0	112.3	L79 S153 S154 L155 Y182 R198 I199 Y204 A205 F206	L79-D202 HydrophobicContact CD1-CB 4.23Å; L79-D202 HydrophobicContact CD2-CB 4.33Å; S153-D202 PolarHBondContact OG-OD1 3.39Å; S154-D202 PolarHBondContact N-OD1 2.87Å; S154-D202 PolarHBondContact OG-OD1 3.09Å; S154-D202 PolarHBondContact OG-OD2 3.23Å; S154-D202 VanDerWaalsContact OG-OD2 3.08Å; L155-D202 PolarHBondContact N-OD1 3.06Å; Y182-D202 WeakPolarHBondContact CE1-OD2 3.33Å; Y182-D202 PolarHBondContact OH-OD2 3.08Å; R198-D202 PolarHBondContact O-N 2.95Å; I199-D202 PolarHBondContact O-N 3Å; D202-Y204 VanDerWaalsContact C-N 3.25Å; D202-Y204 PolarHBondContact O-N 3.47Å; D202-A205 PolarHBondContact O-N 3.26Å; D202-F206 WeakPolarHBondContact O-CD2 3.47Å; D202-F206 PolarHBondContact O-N 3Å; D202-F206 VanDerWaalsContact O-N 3.11Å
203	I	96.7	Very high	94.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.7	-42	171.3	-68.6	171.3	0	0	0	110.5	L79 I199 Y207 F213 L233 V240 F333	L79-I203 HydrophobicContact CD1-CD1 4.48Å; L79-I203 HydrophobicContact CD1-CG1 3.92Å; I199-I203 HydrophobicContact CG2-CD1 3.83Å; I199-I203 VanDerWaalsContact O-CG1 3.32Å; I199-I203 WeakPolarHBondContact O-CG1 3.48Å; I199-I203 PolarHBondContact O-N 2.61Å; I203-Y207 HydrophobicContact CG2-CD2 4.23Å; I203-Y207 VanDerWaalsContact O-CA 3.28Å; I203-Y207 WeakPolarHBondContact O-CA 3.3Å; I203-Y207 VanDerWaalsContact O-CB 3.28Å; I203-Y207 WeakPolarHBondContact O-CB 3.3Å; I203-Y207 PolarHBondContact O-N 3.05Å; I203-F213 HydrophobicContact CB-CD1 4.4Å; I203-F213 HydrophobicContact CG1-CB 4.46Å; I203-F213 HydrophobicContact CG1-CD1 3.92Å; I203-F213 HydrophobicContact CG1-CG 4.14Å; I203-F213 HydrophobicContact CG2-CD1 4.27Å; I203-F213 HydrophobicContact CG2-CD2 4.11Å; I203-F213 HydrophobicContact CG2-CE1 4.3Å; I203-F213 HydrophobicContact CG2-CE2 4.14Å; I203-F213 HydrophobicContact CG2-CG 4.22Å; I203-F213 HydrophobicContact CG2-CZ 4.27Å; I203-L233 HydrophobicContact CD1-CD1 3.94Å; I203-L233 HydrophobicContact CG2-CD1 4.4Å; I203-V240 HydrophobicContact CD1-CG1 4Å; I203-V240 HydrophobicContact CD1-CG2 4.32Å; I203-F333 HydrophobicContact CG2-CZ 4.22Å
204	Y	95.2	Very high	94.8	Very high	63 Å²	63	27.6 Å²	27.6	25%	0.247	13%	0.129	C	C	.	.	H	α-helix	trans	-66.8	-40.9	179.3	-177.8	-110.3	0	0	0	113.7	R151 A200 Q201 D202 F206 F333 I335	R151-Y204 HydrophobicContact CB-CD1 3.86Å; R151-Y204 HydrophobicContact CB-CE1 3.72Å; R151-Y204 WeakPolarHBondContact CD-O 3.37Å; R151-Y204 HydrophobicContact CG-CD1 4Å; R151-Y204 HydrophobicContact CG-CE1 3.45Å; R151-Y204 VanDerWaalsContact CG-CE1 3.45Å; R151-Y204 VanDerWaalsContact CZ-CE2 3.49Å; R151-Y204 PolarHBondContact NE-OH 2.73Å; R151-Y204 PolarHBondContact NH1-O 3.38Å; A200-Y204 VanDerWaalsContact O-CB 3.3Å; A200-Y204 WeakPolarHBondContact O-CB 3.36Å; A200-Y204 PolarHBondContact O-N 2.77Å; Q201-Y204 WeakPolarHBondContact O-CB 3.46Å; Q201-Y204 PolarHBondContact O-N 2.9Å; D202-Y204 VanDerWaalsContact C-N 3.25Å; D202-Y204 PolarHBondContact O-N 3.47Å; Y204-F206 VanDerWaalsContact C-N 3.34Å; Y204-F333 AromaticContact CD2-CD1 3.93Å; Y204-F333 HydrophobicContact CD2-CD1 3.93Å; Y204-F333 AromaticContact CD2-CE1 3.77Å; Y204-F333 HydrophobicContact CD2-CE1 3.77Å; Y204-F333 HydrophobicContact CE2-CD1 4.45Å; Y204-I335 HydrophobicContact CD1-CD1 3.97Å; Y204-I335 HydrophobicContact CD1-CG1 4.28Å; Y204-I335 HydrophobicContact CD2-CG1 4.24Å; Y204-I335 HydrophobicContact CD2-CG2 3.94Å; Y204-I335 HydrophobicContact CG-CD1 3.85Å; Y204-I335 HydrophobicContact CG-CG1 3.99Å; Y204-I335 HydrophobicContact CG-CG2 4.05Å
205	A	91.9	Very high	95.1	Very high	2 Å²	2	22.4 Å²	22.4	2%	0.017	10%	0.102	C	C	.	.	H	α-helix	trans	-65.5	-37.6	-179.7	0	0	0	0	0	112.4	S149 Q201 D202	S149-A205 PolarHBondContact OG-O 3.1Å; Q201-A205 WeakPolarHBondContact O-CB 3.45Å; Q201-A205 PolarHBondContact O-N 3.29Å; D202-A205 PolarHBondContact O-N 3.26Å
206	F	92.6	Very high	95.2	Very high	20 Å²	20	20.2 Å²	20.2	9%	0.088	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	16.5	-177.7	-56	-64.5	0	0	0	113.9	P54 M55 L77 L155 D202 Y204 N208 E209 F210	P54-F206 HydrophobicContact CG-CD1 3.9Å; P54-F206 HydrophobicContact CG-CD2 4.08Å; P54-F206 HydrophobicContact CG-CE1 3.39Å; P54-F206 HydrophobicContact CG-CE2 3.61Å; P54-F206 HydrophobicContact CG-CG 4.24Å; P54-F206 HydrophobicContact CG-CZ 3.25Å; M55-F206 HydrophobicContact CG-CD1 4.42Å; L77-F206 HydrophobicContact CD2-CB 3.94Å; L77-F206 HydrophobicContact CD2-CD2 3.81Å; L77-F206 HydrophobicContact CD2-CG 4.18Å; L155-F206 HydrophobicContact CD1-CE2 3.63Å; L155-F206 HydrophobicContact CD1-CZ 3.73Å; L155-F206 HydrophobicContact CG-CE2 4.17Å; D202-F206 WeakPolarHBondContact O-CD2 3.47Å; D202-F206 PolarHBondContact O-N 3Å; D202-F206 VanDerWaalsContact O-N 3.11Å; Y204-F206 VanDerWaalsContact C-N 3.34Å; F206-N208 VanDerWaalsContact C-N 3.26Å; F206-N208 PolarHBondContact O-N 2.86Å; F206-E209 WeakPolarHBondContact CA-OE2 3.49Å; F206-E209 PolarHBondContact O-N 2.92Å; F206-F210 HydrophobicContact CB-CD2 3.76Å; F206-F210 HydrophobicContact CB-CE2 3.84Å; F206-F210 HydrophobicContact CG-CE2 4.3Å; F206-F210 WeakPolarHBondContact O-CD2 3.4Å; F206-F210 PolarHBondContact O-N 3.2Å
207	Y	92.7	Very high	95.3	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.016	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-31.6	-171.8	-167.2	-106.4	0	0	0	114.4	I203 E209 F213 L236 G237 R238 F333	I203-Y207 HydrophobicContact CG2-CD2 4.23Å; I203-Y207 VanDerWaalsContact O-CA 3.28Å; I203-Y207 WeakPolarHBondContact O-CA 3.3Å; I203-Y207 VanDerWaalsContact O-CB 3.28Å; I203-Y207 WeakPolarHBondContact O-CB 3.3Å; I203-Y207 PolarHBondContact O-N 3.05Å; Y207-E209 PolarHBondContact N-OE2 3.37Å; Y207-F213 AromaticContact CD2-CE2 3.92Å; Y207-F213 HydrophobicContact CD2-CE2 3.92Å; Y207-F213 HydrophobicContact CD2-CZ 4.23Å; Y207-F213 HydrophobicContact CE2-CE2 4.27Å; Y207-L236 HydrophobicContact CE2-CD1 3.79Å; Y207-G237 VanDerWaalsContact OH-CA 3.22Å; Y207-G237 WeakPolarHBondContact OH-CA 3.36Å; Y207-G237 PolarHBondContact OH-N 2.89Å; Y207-R238 HydrophobicContact CE2-CB 4.08Å; Y207-R238 HydrophobicContact CE2-CG 4.13Å; Y207-R238 WeakPolarHBondContact O-CD 3.17Å; Y207-R238 PolarHBondContact O-NE 3.39Å; Y207-R238 PolarHBondContact OH-N 3.27Å; Y207-F333 HydrophobicContact CD1-CB 4.24Å; Y207-F333 AromaticContact CD1-CD1 3.47Å; Y207-F333 HydrophobicContact CD1-CD1 3.47Å; Y207-F333 VanDerWaalsContact CD1-CD1 3.47Å; Y207-F333 HydrophobicContact CD1-CE1 4.07Å; Y207-F333 HydrophobicContact CD1-CG 4.06Å; Y207-F333 AromaticContact CD2-CD1 3.53Å; Y207-F333 HydrophobicContact CD2-CD1 3.53Å; Y207-F333 AromaticContact CD2-CE1 3.25Å; Y207-F333 HydrophobicContact CD2-CE1 3.25Å; Y207-F333 HydrophobicContact CD2-CG 4.28Å; Y207-F333 AromaticContact CD2-CZ 3.84Å; Y207-F333 HydrophobicContact CD2-CZ 3.84Å; Y207-F333 HydrophobicContact CE1-CB 3.76Å; Y207-F333 AromaticContact CE1-CD1 3.66Å; Y207-F333 HydrophobicContact CE1-CD1 3.66Å; Y207-F333 HydrophobicContact CE1-CE1 4.38Å; Y207-F333 AromaticContact CE1-CG 3.76Å; Y207-F333 HydrophobicContact CE1-CG 3.76Å; Y207-F333 AromaticContact CE2-CD1 3.73Å; Y207-F333 HydrophobicContact CE2-CD1 3.73Å; Y207-F333 HydrophobicContact CE2-CD2 4.23Å; Y207-F333 AromaticContact CE2-CE1 3.65Å; Y207-F333 HydrophobicContact CE2-CE1 3.65Å; Y207-F333 HydrophobicContact CE2-CE2 4.19Å; Y207-F333 HydrophobicContact CE2-CG 4.01Å; Y207-F333 AromaticContact CE2-CZ 3.89Å; Y207-F333 HydrophobicContact CE2-CZ 3.89Å; Y207-F333 AromaticContact CG-CD1 3.38Å; Y207-F333 HydrophobicContact CG-CD1 3.38Å; Y207-F333 AromaticContact CG-CE1 3.48Å; Y207-F333 HydrophobicContact CG-CE1 3.48Å; Y207-F333 VanDerWaalsContact CG-CE1 3.48Å; Y207-F333 HydrophobicContact CG-CG 4.29Å; Y207-F333 HydrophobicContact CG-CZ 4.48Å; Y207-F333 AromaticContact CZ-CD1 3.77Å; Y207-F333 AromaticContact CZ-CG 3.72Å
208	N	88.3	Confident	95.3	Very high	60 Å²	60	15.1 Å²	15.1	32%	0.321	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-18	-174.7	-68.5	-13.9	0	0	0	112	F206 V614	F206-N208 VanDerWaalsContact C-N 3.26Å; F206-N208 PolarHBondContact O-N 2.86Å; N208-V614 HydrophobicContact CB-CG1 4.39Å
209	E	87.6	Confident	95.4	Very high	32 Å²	32	13.7 Å²	13.7	15%	0.15	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-21.5	-170.7	-65.2	75	-175.8	0	0	112.7	M55 R75 F206 Y207	M55-E209 HydrophobicContact CE-CG 3.7Å; M55-E209 HydrophobicContact CG-CG 4.35Å; M55-E209 HydrophobicContact SD-CG 4.29Å; R75-E209 PolarHBondContact NH1-O 2.94Å; F206-E209 WeakPolarHBondContact CA-OE2 3.49Å; F206-E209 PolarHBondContact O-N 2.92Å; Y207-E209 PolarHBondContact N-OE2 3.37Å
210	F	93.1	Very high	95.4	Very high	1 Å²	1	18 Å²	18	0%	0.004	9%	0.089	C	C	.	.			trans	-120.9	148.8	-178	-67.7	-88.1	0	0	0	112.2	P54 I56 R75 L77 F206 F213 R238	P54-F210 WeakPolarHBondContact O-CZ 3.49Å; I56-F210 HydrophobicContact CD1-CE1 3.97Å; I56-F210 HydrophobicContact CG1-CE1 4.18Å; R75-F210 HydrophobicContact CB-CD1 3.89Å; R75-F210 HydrophobicContact CB-CE1 4.49Å; L77-F210 HydrophobicContact CB-CB 4.4Å; L77-F210 HydrophobicContact CB-CD1 3.72Å; L77-F210 HydrophobicContact CB-CD2 3.84Å; L77-F210 HydrophobicContact CB-CE1 3.79Å; L77-F210 HydrophobicContact CB-CE2 3.92Å; L77-F210 HydrophobicContact CB-CG 3.72Å; L77-F210 HydrophobicContact CB-CZ 3.88Å; L77-F210 HydrophobicContact CD1-CE1 4.35Å; L77-F210 HydrophobicContact CD1-CE2 4.15Å; L77-F210 HydrophobicContact CD1-CZ 3.84Å; L77-F210 HydrophobicContact CD2-CD2 4.33Å; L77-F210 HydrophobicContact CD2-CE2 4.15Å; L77-F210 HydrophobicContact CG-CE2 4.31Å; L77-F210 HydrophobicContact CG-CZ 4.33Å; F206-F210 HydrophobicContact CB-CD2 3.76Å; F206-F210 HydrophobicContact CB-CE2 3.84Å; F206-F210 HydrophobicContact CG-CE2 4.3Å; F206-F210 WeakPolarHBondContact O-CD2 3.4Å; F206-F210 PolarHBondContact O-N 3.2Å; F210-F213 HydrophobicContact CB-CE1 4.16Å; F210-F213 HydrophobicContact CB-CZ 4.02Å; F210-R238 WeakPolarHBondContact O-CD 3.35Å; F210-R238 PolarHBondContact O-NE 3.09Å; F210-R238 VanDerWaalsContact O-NE 3.08Å; F210-R238 PolarHBondContact O-NH1 3.16Å
211	D	93.8	Very high	95.4	Very high	53 Å²	53	19.4 Å²	19.4	28%	0.283	10%	0.098	S	C	.	.	S	Bend	trans	-79.5	-28.2	178.2	-64	-59.9	0	0	0	112.5	S74 R75 R238	S74-D211 VanDerWaalsContact CA-OD2 3.25Å; S74-D211 WeakPolarHBondContact CA-OD2 3.24Å; R75-D211 PolarHBondContact N-OD2 3.28Å; R75-D211 PolarHBondContact O-N 3.15Å; D211-R238 IonicContact OD1-NH1 3.25Å
212	G	96.9	Very high	95.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	170.2	177.5	0	0	0	0	0	112.7	V76 L77	V76-G212 WeakPolarHBondContact CA-O 2.85Å; L77-G212 PolarHBondContact N-O 3.06Å; L77-G212 VanDerWaalsContact N-O 3.15Å
213	F	98.6	Very high	95.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140	-176.2	-56.8	-90.2	0	0	0	110.3	L77 I203 Y207 F210 R238 P239 V240 V241	L77-F213 HydrophobicContact CB-CD1 3.81Å; L77-F213 HydrophobicContact CB-CE1 4.01Å; L77-F213 HydrophobicContact CD2-CD1 4.06Å; L77-F213 HydrophobicContact CD2-CE1 3.95Å; L77-F213 HydrophobicContact CG-CD1 4.37Å; L77-F213 CarbonylContact O-C 3.56Å; L77-F213 WeakPolarHBondContact O-CA 3.32Å; I203-F213 HydrophobicContact CB-CD1 4.4Å; I203-F213 HydrophobicContact CG1-CB 4.46Å; I203-F213 HydrophobicContact CG1-CD1 3.92Å; I203-F213 HydrophobicContact CG1-CG 4.14Å; I203-F213 HydrophobicContact CG2-CD1 4.27Å; I203-F213 HydrophobicContact CG2-CD2 4.11Å; I203-F213 HydrophobicContact CG2-CE1 4.3Å; I203-F213 HydrophobicContact CG2-CE2 4.14Å; I203-F213 HydrophobicContact CG2-CG 4.22Å; I203-F213 HydrophobicContact CG2-CZ 4.27Å; Y207-F213 AromaticContact CD2-CE2 3.92Å; Y207-F213 HydrophobicContact CD2-CE2 3.92Å; Y207-F213 HydrophobicContact CD2-CZ 4.23Å; Y207-F213 HydrophobicContact CE2-CE2 4.27Å; F210-F213 HydrophobicContact CB-CE1 4.16Å; F210-F213 HydrophobicContact CB-CZ 4.02Å; F213-R238 HydrophobicContact CE2-CB 4.39Å; F213-P239 PolarHBondContact N-O 3.4Å; F213-V240 HydrophobicContact CB-CG1 4.46Å; F213-V240 HydrophobicContact CB-CG2 4.16Å; F213-V240 HydrophobicContact CD2-CG2 4.11Å; F213-V240 HydrophobicContact CG-CG2 4.46Å; F213-V240 CarbonylContact O-C 3.6Å; F213-V240 WeakPolarHBondContact O-CA 3.38Å; F213-V241 PolarHBondContact O-N 3.05Å
214	V	98.8	Very high	95.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.2	167.9	176.4	0	0	0	0	108.2	V76 L77 V78 L79 L216 V241 T243 F260 A263 L264 A267	V76-V214 HydrophobicContact CG1-CG2 3.89Å; L77-V214 PolarHBondContact O-N 2.9Å; V78-V214 CarbonylContact C-O 3.55Å; V78-V214 VanDerWaalsContact CA-O 3.3Å; V78-V214 WeakPolarHBondContact CA-O 3.4Å; V78-V214 HydrophobicContact CB-CB 4.48Å; V78-V214 HydrophobicContact CG1-CB 4.24Å; V78-V214 HydrophobicContact CG1-CG1 4.19Å; V78-V214 HydrophobicContact CG2-CB 4.17Å; L79-V214 PolarHBondContact N-O 2.97Å; V214-L216 HydrophobicContact CG1-CD2 3.9Å; V214-L216 HydrophobicContact CG1-CG 4.44Å; V214-V241 CarbonylContact C-O 3.56Å; V214-V241 VanDerWaalsContact CA-O 3.26Å; V214-V241 WeakPolarHBondContact CA-O 3.19Å; V214-T243 HydrophobicContact CG1-CG2 4.38Å; V214-F260 HydrophobicContact CG1-CD2 4.41Å; V214-F260 HydrophobicContact CG1-CE2 4.31Å; V214-A263 HydrophobicContact CG1-CB 3.92Å; V214-A263 HydrophobicContact CG2-CB 4.11Å; V214-L264 HydrophobicContact CG2-CD2 4.2Å; V214-A267 HydrophobicContact CG2-CB 3.71Å
215	V	98.8	Very high	95.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	112.7	172.6	-175.7	0	0	0	0	108.2	L79 T81 I199 V240 V241 L242 T243	L79-V215 CarbonylContact O-C 3.46Å; L79-V215 WeakPolarHBondContact O-CA 3.45Å; T81-V215 HydrophobicContact CG2-CG1 4.03Å; I199-V215 HydrophobicContact CD1-CG1 4.3Å; I199-V215 HydrophobicContact CG2-CG2 4.04Å; V215-V240 HydrophobicContact CG2-CG1 4.37Å; V215-V241 PolarHBondContact N-O 3.43Å; V215-L242 HydrophobicContact CB-CG 4.14Å; V215-L242 WeakPolarHBondContact O-CA 3.45Å; V215-T243 PolarHBondContact O-N 2.97Å
216	L	98.6	Very high	96.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	120	174.6	-61	-173.8	0	0	0	108.9	V78 L79 Y80 T81 I85 F101 V214 T243 F260	V78-L216 HydrophobicContact CG1-CD1 3.91Å; V78-L216 HydrophobicContact CG1-CG 3.77Å; L79-L216 PolarHBondContact O-N 2.87Å; Y80-L216 HydrophobicContact CD2-CB 3.68Å; Y80-L216 HydrophobicContact CD2-CD1 4.32Å; Y80-L216 HydrophobicContact CG-CB 4.36Å; Y80-L216 HydrophobicContact CG-CD1 4.46Å; T81-L216 PolarHBondContact N-O 3.34Å; T81-L216 PolarHBondContact OG1-O 2.96Å; I85-L216 HydrophobicContact CD1-CD2 4.05Å; I85-L216 HydrophobicContact CG2-CB 4.26Å; F101-L216 HydrophobicContact CE1-CD1 3.79Å; F101-L216 HydrophobicContact CE2-CD1 4.27Å; F101-L216 HydrophobicContact CZ-CD1 3.42Å; F101-L216 VanDerWaalsContact CZ-CD1 3.42Å; V214-L216 HydrophobicContact CG1-CD2 3.9Å; V214-L216 HydrophobicContact CG1-CG 4.44Å; L216-T243 HydrophobicContact CD2-CG2 3.5Å; L216-F260 HydrophobicContact CD1-CD2 4.25Å; L216-F260 HydrophobicContact CD1-CE2 4.01Å; L216-F260 HydrophobicContact CD1-CZ 4.16Å; L216-F260 HydrophobicContact CD2-CD2 3.65Å; L216-F260 HydrophobicContact CD2-CE2 4Å; L216-F260 HydrophobicContact CD2-CG 4.29Å; L216-F260 HydrophobicContact CG-CD2 4.41Å; L216-F260 HydrophobicContact CG-CE2 4.31Å
217	H	98.4	Very high	96.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.			trans	-139.7	153.5	-166	-160.3	-78.9	0	0	0	111.6	T81 G82 L191 L222 T225 T243 G244	T81-H217 PolarHBondContact OG1-CD2 3.43Å; G82-H217 CarbonylContact O-C 3.56Å; L191-H217 WeakPolarHBondContact CD2-NE2 3.32Å; H217-L222 HydrophobicContact CB-CD1 4.42Å; H217-T225 PolarHBondContact CE1-OG1 2.93Å; H217-T225 VanDerWaalsContact CE1-OG1 3.24Å; H217-T225 PolarHBondContact NE2-OG1 3.22Å; H217-T243 PolarHBondContact N-O 2.81Å; H217-G244 WeakPolarHBondContact O-CA 3.35Å
218	G	97.2	Very high	96.7	Very high	2 Å²	2	16.5 Å²	16.5	2%	0.021	9%	0.085	C	C	.	.			trans	-68.3	146.8	169.9	0	0	0	0	0	112.1	G83 S188 D220 L222	G83-G218 VanDerWaalsContact CA-CA 3.44Å; S188-G218 VanDerWaalsContact CB-C 3.48Å; S188-G218 WeakPolarHBondContact CB-O 3.32Å; S188-G218 WeakPolarHBondContact OG-CA 3.26Å; S188-G218 PolarHBondContact OG-O 3.42Å; G218-D220 PolarHBondContact O-N 3.34Å; G218-L222 WeakPolarHBondContact O-CB 3.41Å
219	T	97.7	Very high	97.2	Very high	6 Å²	6	13.6 Å²	13.6	4%	0.037	7%	0.07	C	C	.	.	S	Bend	trans	-78.1	-20.7	-169	61.9	0	0	0	0	113.2	T221 A245 Q246 F280 K292 F301	T219-T221 PolarHBondContact O-N 3.18Å; T219-A245 WeakPolarHBondContact CG2-O 3.41Å; T219-Q246 PolarHBondContact OG1-NE2 3.08Å; T219-F280 HydrophobicContact CG2-CE2 4.09Å; T219-F280 HydrophobicContact CG2-CZ 3.91Å; T219-K292 WeakPolarHBondContact O-CD 3.34Å; T219-K292 PolarHBondContact OG1-NZ 2.88Å; T219-F301 HydrophobicContact CG2-CE2 4.08Å; T219-F301 VanDerWaalsContact O-CZ 3.31Å; T219-F301 WeakPolarHBondContact O-CZ 3.3Å
220	D	97	Very high	97.7	Very high	91 Å²	91	12.5 Å²	12.5	49%	0.487	7%	0.065	S	C	.	.	S	Bend	trans	-66.1	-38.5	-172.3	-68.7	-24.1	0	0	0	113.5	S188 G218 K292	S188-D220 WeakPolarHBondContact OG-CB 3.27Å; S188-D220 PolarHBondContact OG-N 3.42Å; S188-D220 VanDerWaalsContact OG-N 3.13Å; G218-D220 PolarHBondContact O-N 3.34Å; D220-K292 IonicContact OD1-NZ 3.51Å; D220-K292 PolarHBondContact OD1-NZ 3.28Å
221	T	97.8	Very high	98	Very high	30 Å²	30	12.5 Å²	12.5	18%	0.184	7%	0.065	C	C	.	.	S	Bend	trans	-117.2	12	179	66.9	0	0	0	0	113.6	S188 T219 A223 Y224 T225	S188-T221 WeakPolarHBondContact CB-OG1 3.43Å; S188-T221 WeakPolarHBondContact O-CB 3.44Å; S188-T221 WeakPolarHBondContact O-CG2 3.45Å; S188-T221 PolarHBondContact O-OG1 2.94Å; T219-T221 PolarHBondContact O-N 3.18Å; T221-A223 VanDerWaalsContact C-N 3.26Å; T221-A223 PolarHBondContact O-N 3.4Å; T221-Y224 WeakPolarHBondContact O-CB 3.49Å; T221-Y224 PolarHBondContact O-N 3.41Å; T221-T225 PolarHBondContact O-N 2.88Å
222	L	98.4	Very high	98.1	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-53.6	-41.7	-178.8	-171	153.6	0	0	0	112.6	H217 G218 Y224 T225 A226 L242 V278 F301	H217-L222 HydrophobicContact CB-CD1 4.42Å; G218-L222 WeakPolarHBondContact O-CB 3.41Å; L222-Y224 VanDerWaalsContact C-N 3.33Å; L222-Y224 PolarHBondContact O-N 2.83Å; L222-T225 PolarHBondContact O-N 2.8Å; L222-A226 VanDerWaalsContact O-CB 3.32Å; L222-A226 WeakPolarHBondContact O-CB 3.31Å; L222-A226 PolarHBondContact O-N 3.46Å; L222-L242 HydrophobicContact CD2-CB 4.39Å; L222-V278 HydrophobicContact CD2-CB 4.12Å; L222-V278 HydrophobicContact CD2-CG1 3.5Å; L222-V278 VanDerWaalsContact CD2-CG1 3.5Å; L222-V278 HydrophobicContact CD2-CG2 3.45Å; L222-V278 VanDerWaalsContact CD2-CG2 3.45Å; L222-F301 HydrophobicContact CB-CE1 4Å; L222-F301 HydrophobicContact CB-CZ 3.64Å; L222-F301 HydrophobicContact CD1-CE2 4.27Å; L222-F301 HydrophobicContact CD1-CZ 4.08Å; L222-F301 HydrophobicContact CD2-CD1 4.48Å; L222-F301 HydrophobicContact CD2-CE1 3.94Å; L222-F301 HydrophobicContact CD2-CZ 3.99Å; L222-F301 HydrophobicContact CG-CE1 4.46Å; L222-F301 HydrophobicContact CG-CZ 4.12Å
223	A	98.4	Very high	98.1	Very high	4 Å²	4	10.1 Å²	10.1	3%	0.033	5%	0.053	C	C	.	.	H	α-helix	trans	-64.3	-35.5	178.5	0	0	0	0	0	112.9	T221 S227 V290 F301 E434	T221-A223 VanDerWaalsContact C-N 3.26Å; T221-A223 PolarHBondContact O-N 3.4Å; A223-S227 VanDerWaalsContact O-CB 3.3Å; A223-S227 WeakPolarHBondContact O-CB 3.28Å; A223-S227 PolarHBondContact O-N 2.94Å; A223-S227 PolarHBondContact O-OG 3.47Å; A223-V290 HydrophobicContact CB-CG2 3.93Å; A223-F301 HydrophobicContact CB-CE1 4.4Å; A223-E434 HydrophobicContact CB-CB 4.49Å; A223-E434 HydrophobicContact CB-CG 3.92Å
224	Y	98.2	Very high	97.9	Very high	67 Å²	67	12 Å²	12	26%	0.263	6%	0.061	S	C	.	.	H	α-helix	trans	-68.2	-46.3	173.3	-70.2	-86.9	0	0	0	111.1	T221 L222 S227 A228 I345 E434 L437	T221-Y224 WeakPolarHBondContact O-CB 3.49Å; T221-Y224 PolarHBondContact O-N 3.41Å; L222-Y224 VanDerWaalsContact C-N 3.33Å; L222-Y224 PolarHBondContact O-N 2.83Å; Y224-S227 PolarHBondContact O-N 3.43Å; Y224-A228 WeakPolarHBondContact O-CB 3.11Å; Y224-A228 PolarHBondContact O-N 3.09Å; Y224-I345 HydrophobicContact CE1-CD1 4.46Å; Y224-E434 HydrophobicContact CD1-CB 3.99Å; Y224-E434 HydrophobicContact CD1-CG 3.86Å; Y224-E434 HydrophobicContact CD2-CG 3.79Å; Y224-E434 HydrophobicContact CE1-CB 4.18Å; Y224-E434 HydrophobicContact CE1-CG 3.78Å; Y224-E434 HydrophobicContact CE2-CG 3.71Å; Y224-E434 HydrophobicContact CG-CB 4.25Å; Y224-E434 HydrophobicContact CG-CG 3.87Å; Y224-L437 HydrophobicContact CD1-CD2 4.19Å; Y224-L437 HydrophobicContact CE1-CD2 3.9Å
225	T	98.5	Very high	97.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.5	-44.3	177.1	-57.5	0	0	0	0	111.7	W196 I199 H217 T221 L222 S227 A228 L229 L242	W196-T225 PolarHBondContact NE1-OG1 3.31Å; I199-T225 HydrophobicContact CD1-CG2 4.17Å; H217-T225 PolarHBondContact CE1-OG1 2.93Å; H217-T225 VanDerWaalsContact CE1-OG1 3.24Å; H217-T225 PolarHBondContact NE2-OG1 3.22Å; T221-T225 PolarHBondContact O-N 2.88Å; L222-T225 PolarHBondContact O-N 2.8Å; T225-S227 VanDerWaalsContact C-N 3.31Å; T225-S227 PolarHBondContact O-N 3.44Å; T225-A228 PolarHBondContact O-N 3.14Å; T225-L229 HydrophobicContact CG2-CD1 3.89Å; T225-L229 HydrophobicContact CG2-CG 4.24Å; T225-L229 WeakPolarHBondContact O-CB 3.46Å; T225-L229 WeakPolarHBondContact O-CG 3.46Å; T225-L229 PolarHBondContact O-N 2.87Å; T225-L242 HydrophobicContact CG2-CD2 3.87Å
226	A	98.7	Very high	97.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60	-42.6	176.5	0	0	0	0	0	111.5	L222 S230 L242 V276 V278 V290	L222-A226 VanDerWaalsContact O-CB 3.32Å; L222-A226 WeakPolarHBondContact O-CB 3.31Å; L222-A226 PolarHBondContact O-N 3.46Å; A226-S230 WeakPolarHBondContact O-CB 3.29Å; A226-S230 PolarHBondContact O-N 3.31Å; A226-S230 PolarHBondContact O-OG 2.95Å; A226-L242 HydrophobicContact CB-CD1 4.26Å; A226-L242 HydrophobicContact CB-CD2 3.95Å; A226-V276 WeakPolarHBondContact O-CG1 3.26Å; A226-V278 HydrophobicContact CB-CG2 3.58Å; A226-V290 HydrophobicContact CB-CG2 4.46Å
227	S	98.5	Very high	97	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66.4	-45.1	176.4	-62.5	0	0	0	0	111.9	A223 Y224 T225 S230 F231 T438	A223-S227 VanDerWaalsContact O-CB 3.3Å; A223-S227 WeakPolarHBondContact O-CB 3.28Å; A223-S227 PolarHBondContact O-N 2.94Å; A223-S227 PolarHBondContact O-OG 3.47Å; Y224-S227 PolarHBondContact O-N 3.43Å; T225-S227 VanDerWaalsContact C-N 3.31Å; T225-S227 PolarHBondContact O-N 3.44Å; S227-S230 WeakPolarHBondContact O-CB 3.34Å; S227-S230 PolarHBondContact O-N 2.73Å; S227-F231 WeakPolarHBondContact O-CD2 3.1Å; S227-F231 PolarHBondContact O-N 3.2Å; S227-T438 VanDerWaalsContact CB-OG1 3.28Å; S227-T438 WeakPolarHBondContact CB-OG1 3.45Å
228	A	98.2	Very high	96.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.9	-52.9	177.7	0	0	0	0	0	111.1	W196 Y224 T225 S230 F231 M232 L339 T438	W196-A228 HydrophobicContact CD2-CB 3.65Å; W196-A228 HydrophobicContact CE3-CB 3.62Å; W196-A228 HydrophobicContact CG-CB 4.24Å; W196-A228 HydrophobicContact CH2-CB 4.14Å; W196-A228 HydrophobicContact CZ2-CB 4.17Å; W196-A228 HydrophobicContact CZ3-CB 3.88Å; Y224-A228 WeakPolarHBondContact O-CB 3.11Å; Y224-A228 PolarHBondContact O-N 3.09Å; T225-A228 PolarHBondContact O-N 3.14Å; A228-S230 VanDerWaalsContact C-N 3.26Å; A228-S230 PolarHBondContact O-N 3.29Å; A228-F231 PolarHBondContact O-N 3.04Å; A228-M232 HydrophobicContact CB-SD 4.28Å; A228-M232 VanDerWaalsContact O-CG 3.23Å; A228-M232 WeakPolarHBondContact O-CG 3.35Å; A228-M232 PolarHBondContact O-N 3.28Å; A228-L339 HydrophobicContact CB-CD1 4.48Å; A228-T438 HydrophobicContact CB-CG2 3.91Å
229	L	98.6	Very high	96.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.4	-35.5	178.8	-68.2	177.1	0	0	0	112.2	I199 A200 T225 F231 M232 L233 L242 V276	I199-L229 HydrophobicContact CB-CD2 4.27Å; I199-L229 HydrophobicContact CG2-CD1 3.8Å; I199-L229 HydrophobicContact CG2-CD2 3.92Å; A200-L229 HydrophobicContact CB-CD2 4.34Å; T225-L229 HydrophobicContact CG2-CD1 3.89Å; T225-L229 HydrophobicContact CG2-CG 4.24Å; T225-L229 WeakPolarHBondContact O-CB 3.46Å; T225-L229 WeakPolarHBondContact O-CG 3.46Å; T225-L229 PolarHBondContact O-N 2.87Å; L229-F231 PolarHBondContact O-N 3.36Å; L229-M232 HydrophobicContact CD2-SD 4.43Å; L229-M232 PolarHBondContact O-N 3.2Å; L229-L233 HydrophobicContact CB-CD1 4.35Å; L229-L233 VanDerWaalsContact O-CB 3.3Å; L229-L233 WeakPolarHBondContact O-CB 3.27Å; L229-L233 VanDerWaalsContact O-CG 3.3Å; L229-L233 WeakPolarHBondContact O-CG 3.5Å; L229-L233 PolarHBondContact O-N 3.14Å; L229-L242 HydrophobicContact CD1-CD1 4.29Å; L229-L242 HydrophobicContact CD1-CD2 4.3Å; L229-V276 HydrophobicContact CB-CG1 4.08Å; L229-V276 HydrophobicContact CB-CG2 4.18Å
230	S	98.3	Very high	96.7	Very high	9 Å²	9	17 Å²	17	6%	0.063	9%	0.089	C	C	.	.	H	α-helix	trans	-55.5	-40.3	174.5	-61.4	0	0	0	0	111.8	A226 S227 A228 R464	A226-S230 WeakPolarHBondContact O-CB 3.29Å; A226-S230 PolarHBondContact O-N 3.31Å; A226-S230 PolarHBondContact O-OG 2.95Å; S227-S230 WeakPolarHBondContact O-CB 3.34Å; S227-S230 PolarHBondContact O-N 2.73Å; A228-S230 VanDerWaalsContact C-N 3.26Å; A228-S230 PolarHBondContact O-N 3.29Å; S230-R464 WeakPolarHBondContact O-CD 3.29Å; S230-R464 VanDerWaalsContact O-CG 3.24Å; S230-R464 WeakPolarHBondContact O-CG 3.11Å; S230-R464 PolarHBondContact O-NE 2.84Å
231	F	97.7	Very high	96.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-82.6	-38.4	176.9	-65.3	-72.6	0	0	0	113	S227 A228 L229 T438 K439 Y442 L463 R464 E466	S227-F231 WeakPolarHBondContact O-CD2 3.1Å; S227-F231 PolarHBondContact O-N 3.2Å; A228-F231 PolarHBondContact O-N 3.04Å; L229-F231 PolarHBondContact O-N 3.36Å; F231-T438 WeakPolarHBondContact CD2-OG1 3.12Å; F231-T438 WeakPolarHBondContact CE2-OG1 3.25Å; F231-K439 HydrophobicContact CE1-CB 3.87Å; F231-K439 HydrophobicContact CE1-CD 4.3Å; F231-K439 HydrophobicContact CE1-CG 3.74Å; F231-K439 HydrophobicContact CE2-CB 3.77Å; F231-K439 HydrophobicContact CZ-CB 3.41Å; F231-K439 VanDerWaalsContact CZ-CB 3.41Å; F231-K439 HydrophobicContact CZ-CD 4.17Å; F231-K439 HydrophobicContact CZ-CG 3.74Å; F231-Y442 HydrophobicContact CB-CD1 4.26Å; F231-Y442 HydrophobicContact CB-CD2 3.86Å; F231-Y442 HydrophobicContact CB-CE2 4.41Å; F231-Y442 HydrophobicContact CB-CG 3.75Å; F231-Y442 HydrophobicContact CD1-CD1 4.01Å; F231-Y442 HydrophobicContact CD1-CE1 4.48Å; F231-Y442 HydrophobicContact CD1-CG 4.3Å; F231-Y442 HydrophobicContact CG-CD1 4.45Å; F231-Y442 HydrophobicContact CG-CG 4.27Å; F231-Y442 VanDerWaalsContact O-CE2 3.25Å; F231-Y442 WeakPolarHBondContact O-CE2 3.33Å; F231-L463 HydrophobicContact CE1-CB 4.1Å; F231-L463 HydrophobicContact CE1-CD1 4.4Å; F231-R464 HydrophobicContact CD1-CB 4.48Å; F231-R464 HydrophobicContact CD1-CG 3.71Å; F231-R464 HydrophobicContact CE1-CB 4.21Å; F231-R464 HydrophobicContact CE1-CG 3.88Å; F231-R464 HydrophobicContact CG-CG 4.41Å; F231-E466 HydrophobicContact CZ-CB 4.31Å; F231-E466 HydrophobicContact CZ-CG 3.99Å
232	M	97.7	Very high	96.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-67.1	-36.9	-177.2	-66.6	172.8	73.4	0	0	112.6	M193 W196 A200 A228 L229 E234 I335 H336 L339	M193-M232 HydrophobicContact CE-CE 3.94Å; M193-M232 HydrophobicContact CE-SD 4.46Å; W196-M232 HydrophobicContact CB-CE 4.16Å; W196-M232 HydrophobicContact CB-SD 3.87Å; A200-M232 HydrophobicContact CB-CE 3.79Å; A228-M232 HydrophobicContact CB-SD 4.28Å; A228-M232 VanDerWaalsContact O-CG 3.23Å; A228-M232 WeakPolarHBondContact O-CG 3.35Å; A228-M232 PolarHBondContact O-N 3.28Å; L229-M232 HydrophobicContact CD2-SD 4.43Å; L229-M232 PolarHBondContact O-N 3.2Å; M232-E234 PolarHBondContact O-N 2.9Å; M232-I335 CarbonylContact O-C 3.49Å; M232-I335 VanDerWaalsContact O-CA 3.26Å; M232-I335 WeakPolarHBondContact O-CA 3.36Å; M232-H336 WeakPolarHBondContact CE-O 3.3Å; M232-H336 WeakPolarHBondContact CG-O 3.25Å; M232-H336 PolarHBondContact O-N 3.31Å; M232-L339 HydrophobicContact CG-CD1 3.88Å; M232-L339 HydrophobicContact CG-CD2 4.14Å; M232-L339 HydrophobicContact CG-CG 4.17Å; M232-L339 HydrophobicContact SD-CD1 3.93Å; M232-L339 HydrophobicContact SD-CG 4.48Å
233	L	97.1	Very high	96.9	Very high	3 Å²	3	11.3 Å²	11.3	2%	0.016	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	79.6	-177.8	-56.5	-174.7	0	0	0	110.3	A200 I203 L229 V240 V276 F333 I335	A200-L233 HydrophobicContact CB-CD2 3.91Å; I203-L233 HydrophobicContact CD1-CD1 3.94Å; I203-L233 HydrophobicContact CG2-CD1 4.4Å; L229-L233 HydrophobicContact CB-CD1 4.35Å; L229-L233 VanDerWaalsContact O-CB 3.3Å; L229-L233 WeakPolarHBondContact O-CB 3.27Å; L229-L233 VanDerWaalsContact O-CG 3.3Å; L229-L233 WeakPolarHBondContact O-CG 3.5Å; L229-L233 PolarHBondContact O-N 3.14Å; L233-V240 HydrophobicContact CD1-CG1 4.4Å; L233-V240 HydrophobicContact CD1-CG2 3.95Å; L233-V276 HydrophobicContact CD1-CG2 3.97Å; L233-F333 HydrophobicContact CB-CE2 3.96Å; L233-F333 HydrophobicContact CB-CZ 4.41Å; L233-F333 HydrophobicContact CD2-CE2 4.43Å; L233-F333 HydrophobicContact CD2-CZ 4.06Å; L233-I335 HydrophobicContact CD2-CG2 3.78Å
234	E	94.2	Very high	96.8	Very high	40 Å²	40	11.1 Å²	11.1	19%	0.187	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135.4	-175.5	179.2	152.5	-113.5	0	0	111.9	M232 L236 F333 C334 H336 Y442 K446 R464	M232-E234 PolarHBondContact O-N 2.9Å; E234-L236 VanDerWaalsContact C-N 3.33Å; E234-F333 VanDerWaalsContact O-CD2 3.25Å; E234-F333 WeakPolarHBondContact O-CD2 3.36Å; E234-C334 PolarHBondContact N-O 3.22Å; E234-C334 PolarHBondContact O-N 3.05Å; E234-H336 IonicContact OE2-CD2 3.28Å; E234-H336 IonicContact OE2-CE1 2.69Å; E234-H336 IonicContact OE2-NE2 3.94Å; E234-H336 PolarHBondContact OE2-NE2 3.03Å; E234-Y442 VanDerWaalsContact CD-OH 3.28Å; E234-Y442 PolarHBondContact OE1-OH 3.3Å; E234-Y442 PolarHBondContact OE2-OH 3.01Å; E234-K446 IonicContact OE2-NZ 2.72Å; E234-K446 PolarHBondContact OE2-NZ 2.84Å; E234-R464 VanDerWaalsContact CB-NH2 3.28Å; E234-R464 VanDerWaalsContact CD-NH2 3.31Å; E234-R464 VanDerWaalsContact CG-NH2 3.25Å; E234-R464 IonicContact OE1-CZ 2.62Å; E234-R464 IonicContact OE1-NH1 3.52Å; E234-R464 IonicContact OE1-NH2 3.93Å; E234-R464 PolarHBondContact OE1-NH2 3.4Å
235	N	92.1	Very high	96.8	Very high	41 Å²	41	8 Å²	8	22%	0.219	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	42.7	-173.4	-38.8	-56.6	0	0	0	113.1	G237 K331 P332	N235-G237 PolarHBondContact O-N 2.86Å; N235-K331 WeakPolarHBondContact CB-O 3.41Å; N235-K331 WeakPolarHBondContact ND2-CB 3.21Å; N235-P332 PolarHBondContact ND2-O 2.87Å
236	L	93.4	Very high	96.7	Very high	25 Å²	25	9.4 Å²	9.4	13%	0.131	5%	0.05	C	C	.	.			trans	-59.7	132.9	173.6	-173.2	67	0	0	0	110.3	Y207 E234 R238 V240 C274 E275 V276 F333	Y207-L236 HydrophobicContact CE2-CD1 3.79Å; E234-L236 VanDerWaalsContact C-N 3.33Å; L236-R238 WeakPolarHBondContact CD1-O 3.37Å; L236-R238 WeakPolarHBondContact CD2-O 3.43Å; L236-R238 WeakPolarHBondContact CG-O 3.18Å; L236-V240 HydrophobicContact CD1-CG2 3.89Å; L236-V240 HydrophobicContact CD2-CB 4.32Å; L236-V240 HydrophobicContact CD2-CG2 3.85Å; L236-C274 WeakPolarHBondContact O-CB 3.42Å; L236-E275 VanDerWaalsContact CD2-C 3.47Å; L236-V276 HydrophobicContact CD2-CG2 3.93Å; L236-F333 HydrophobicContact CB-CE2 4.47Å; L236-F333 HydrophobicContact CD1-CD2 4.41Å; L236-F333 HydrophobicContact CD1-CE2 3.85Å; L236-F333 HydrophobicContact CD1-CZ 4.33Å
237	G	90.9	Very high	96.6	Very high	11 Å²	11	12 Å²	12	11%	0.113	6%	0.063	C	C	.	.			trans	-125.4	4.8	-178.2	0	0	0	0	0	113.4	Y207 N235 C274 H581	Y207-G237 VanDerWaalsContact OH-CA 3.22Å; Y207-G237 WeakPolarHBondContact OH-CA 3.36Å; Y207-G237 PolarHBondContact OH-N 2.89Å; N235-G237 PolarHBondContact O-N 2.86Å; G237-C274 PolarHBondContact O-SG 2.89Å; G237-H581 PolarHBondContact O-CD2 2.71Å; G237-H581 VanDerWaalsContact O-CD2 3.25Å
238	R	92.2	Very high	96.4	Very high	27 Å²	27	12 Å²	12	10%	0.102	6%	0.064	C	C	.	.	S	Bend	trans	-134.1	151.8	179.1	-65.2	-175.5	-176.5	-79.8	12.3	110.1	Y207 F210 D211 F213 L236 V240	Y207-R238 HydrophobicContact CE2-CB 4.08Å; Y207-R238 HydrophobicContact CE2-CG 4.13Å; Y207-R238 WeakPolarHBondContact O-CD 3.17Å; Y207-R238 PolarHBondContact O-NE 3.39Å; Y207-R238 PolarHBondContact OH-N 3.27Å; F210-R238 WeakPolarHBondContact O-CD 3.35Å; F210-R238 PolarHBondContact O-NE 3.09Å; F210-R238 VanDerWaalsContact O-NE 3.08Å; F210-R238 PolarHBondContact O-NH1 3.16Å; D211-R238 IonicContact OD1-NH1 3.25Å; F213-R238 HydrophobicContact CE2-CB 4.39Å; L236-R238 WeakPolarHBondContact CD1-O 3.37Å; L236-R238 WeakPolarHBondContact CD2-O 3.43Å; L236-R238 WeakPolarHBondContact CG-O 3.18Å; R238-V240 PolarHBondContact O-N 3.04Å
239	P	97	Very high	96.2	Very high	10 Å²	10	12 Å²	12	7%	0.065	6%	0.064	C	C	.	.			trans	-67.3	134.4	178	26.3	-33.6	0	0	0	111.3	F213 V241 A267 I273	F213-P239 PolarHBondContact N-O 3.4Å; P239-V241 HydrophobicContact CB-CG2 4.38Å; P239-A267 WeakPolarHBondContact CG-O 3.49Å; P239-I273 WeakPolarHBondContact CA-O 3.14Å; P239-I273 WeakPolarHBondContact CB-O 3.4Å
240	V	98.6	Very high	95.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	107.7	166.5	178.2	0	0	0	0	107	I203 F213 V215 L233 L236 R238 L242 E275 V276 T277	I203-V240 HydrophobicContact CD1-CG1 4Å; I203-V240 HydrophobicContact CD1-CG2 4.32Å; F213-V240 HydrophobicContact CB-CG1 4.46Å; F213-V240 HydrophobicContact CB-CG2 4.16Å; F213-V240 HydrophobicContact CD2-CG2 4.11Å; F213-V240 HydrophobicContact CG-CG2 4.46Å; F213-V240 CarbonylContact O-C 3.6Å; F213-V240 WeakPolarHBondContact O-CA 3.38Å; V215-V240 HydrophobicContact CG2-CG1 4.37Å; L233-V240 HydrophobicContact CD1-CG1 4.4Å; L233-V240 HydrophobicContact CD1-CG2 3.95Å; L236-V240 HydrophobicContact CD1-CG2 3.89Å; L236-V240 HydrophobicContact CD2-CB 4.32Å; L236-V240 HydrophobicContact CD2-CG2 3.85Å; R238-V240 PolarHBondContact O-N 3.04Å; V240-L242 HydrophobicContact CG1-CD1 4.35Å; V240-E275 PolarHBondContact N-O 3.31Å; V240-V276 HydrophobicContact CB-CG2 4.17Å; V240-V276 HydrophobicContact CG1-CG2 4.42Å; V240-V276 CarbonylContact O-C 3.6Å; V240-V276 WeakPolarHBondContact O-CA 3.45Å; V240-T277 PolarHBondContact O-N 3.34Å; V240-T277 PolarHBondContact O-OG1 3.05Å
241	V	98.8	Very high	95.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	108.7	-174.1	-166.9	0	0	0	0	109.7	F213 V214 V215 P239 A263 I266 A267 L279 L284	F213-V241 PolarHBondContact O-N 3.05Å; V214-V241 CarbonylContact C-O 3.56Å; V214-V241 VanDerWaalsContact CA-O 3.26Å; V214-V241 WeakPolarHBondContact CA-O 3.19Å; V215-V241 PolarHBondContact N-O 3.43Å; P239-V241 HydrophobicContact CB-CG2 4.38Å; V241-A263 HydrophobicContact CB-CB 4.29Å; V241-A263 HydrophobicContact CG1-CB 3.8Å; V241-I266 HydrophobicContact CG2-CB 4.13Å; V241-I266 HydrophobicContact CG2-CG2 3.67Å; V241-A267 HydrophobicContact CG2-CB 4.17Å; V241-L279 HydrophobicContact CG1-CB 3.71Å; V241-L284 HydrophobicContact CG1-CD1 4Å
242	L	98.8	Very high	95.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	141.3	169.5	-68.7	84.8	0	0	0	109.3	V215 L222 T225 A226 L229 V240 V276 T277 V278 L279	V215-L242 HydrophobicContact CB-CG 4.14Å; V215-L242 WeakPolarHBondContact O-CA 3.45Å; L222-L242 HydrophobicContact CD2-CB 4.39Å; T225-L242 HydrophobicContact CG2-CD2 3.87Å; A226-L242 HydrophobicContact CB-CD1 4.26Å; A226-L242 HydrophobicContact CB-CD2 3.95Å; L229-L242 HydrophobicContact CD1-CD1 4.29Å; L229-L242 HydrophobicContact CD1-CD2 4.3Å; V240-L242 HydrophobicContact CG1-CD1 4.35Å; L242-V276 HydrophobicContact CD1-CG1 3.34Å; L242-T277 WeakPolarHBondContact CD1-O 3.07Å; L242-T277 PolarHBondContact N-O 2.7Å; L242-V278 HydrophobicContact CB-CG2 4.2Å; L242-V278 WeakPolarHBondContact O-CA 3.31Å; L242-L279 PolarHBondContact O-N 3.01Å
243	T	98.7	Very high	95	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	171.2	170.4	-163.4	0	0	0	0	111	V214 V215 L216 H217 N259 A263 L279	V214-T243 HydrophobicContact CG1-CG2 4.38Å; V215-T243 PolarHBondContact O-N 2.97Å; L216-T243 HydrophobicContact CD2-CG2 3.5Å; H217-T243 PolarHBondContact N-O 2.81Å; T243-N259 WeakPolarHBondContact OG1-CB 3.25Å; T243-A263 HydrophobicContact CG2-CB 3.69Å; T243-L279 WeakPolarHBondContact CB-O 3.47Å; T243-L279 PolarHBondContact OG1-O 2.85Å
244	G	97.8	Very high	94.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.166	C	C	.	.			trans	-163	-162.7	-180	0	0	0	0	0	109.9	H217 N259 F280	H217-G244 WeakPolarHBondContact O-CA 3.35Å; G244-N259 WeakPolarHBondContact O-CB 3.49Å; G244-N259 PolarHBondContact O-ND2 2.83Å; G244-F280 VanDerWaalsContact C-CE2 3.47Å; G244-F280 VanDerWaalsContact O-CE2 3.31Å; G244-F280 WeakPolarHBondContact O-CE2 3.3Å
245	A	97.7	Very high	95	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	16%	0.159	C	C	.	.			trans	-153	155.2	177.9	0	0	0	0	0	111.2	T84 I85 T219 L247 D255 G256	T84-A245 WeakPolarHBondContact CB-O 3.5Å; I85-A245 HydrophobicContact CB-CB 3.84Å; I85-A245 HydrophobicContact CD1-CB 4.32Å; I85-A245 HydrophobicContact CG1-CB 3.86Å; T219-A245 WeakPolarHBondContact CG2-O 3.41Å; A245-L247 WeakPolarHBondContact CB-O 3.33Å; A245-D255 WeakPolarHBondContact CA-OD2 3.18Å; A245-G256 VanDerWaalsContact CB-CA 3.47Å
246	Q	96.2	Very high	95.1	Very high	30 Å²	30	32.7 Å²	32.7	14%	0.14	15%	0.149	C	C	.	.	S	Bend	trans	-82	-26.2	167.8	-63	-55.8	-39.7	0	0	112	T84 T219 D255 S295 N297 F298 A300	T84-Q246 WeakPolarHBondContact CG2-O 3.32Å; T219-Q246 PolarHBondContact OG1-NE2 3.08Å; Q246-D255 PolarHBondContact N-OD1 3.39Å; Q246-D255 PolarHBondContact N-OD2 3.49Å; Q246-S295 PolarHBondContact OE1-O 2.93Å; Q246-N297 WeakPolarHBondContact CG-O 3.49Å; Q246-F298 HydrophobicContact CB-CD1 4.12Å; Q246-F298 HydrophobicContact CB-CE1 4.37Å; Q246-F298 HydrophobicContact CG-CD1 4.45Å; Q246-A300 HydrophobicContact CG-CB 4.28Å
247	L	95.4	Very high	95.1	Very high	54 Å²	54	36.1 Å²	36.1	28%	0.283	16%	0.16	S	C	.	.	S	Bend	trans	-124.9	147.8	172.9	-66.5	173.9	0	0	0	110.5	A245 R253 S254 D255 F298	A245-L247 WeakPolarHBondContact CB-O 3.33Å; L247-R253 WeakPolarHBondContact CD1-O 3.36Å; L247-S254 PolarHBondContact O-OG 2.92Å; L247-D255 PolarHBondContact N-OD1 3.33Å; L247-D255 VanDerWaalsContact N-OD1 3.07Å; L247-F298 HydrophobicContact CD1-CE1 3.91Å; L247-F298 HydrophobicContact CD1-CZ 3.92Å; L247-F298 HydrophobicContact CG-CE1 4.24Å
248	P	95.5	Very high	95.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.013	19%	0.186	C	C	.	.			trans	-55.8	146.6	177.7	-23.4	31.8	0	0	0	112.6	T84 M87 Y94 F250 E251 S254	T84-P248 HydrophobicContact CG2-CG 4.27Å; T84-P248 WeakPolarHBondContact O-CA 3.3Å; T84-P248 WeakPolarHBondContact O-CB 3.49Å; T84-P248 WeakPolarHBondContact O-CG 3.31Å; M87-P248 HydrophobicContact CB-CG 4.38Å; M87-P248 VanDerWaalsContact O-CB 3.25Å; M87-P248 WeakPolarHBondContact O-CB 3.2Å; M87-P248 WeakPolarHBondContact O-CG 3.3Å; Y94-P248 HydrophobicContact CD1-CG 3.5Å; Y94-P248 HydrophobicContact CE1-CG 3.42Å; Y94-P248 VanDerWaalsContact CE1-CG 3.42Å; Y94-P248 HydrophobicContact CG-CG 4.31Å; P248-F250 PolarHBondContact O-N 3.05Å; P248-E251 HydrophobicContact CB-CG 4.3Å; P248-E251 HydrophobicContact CG-CG 4.27Å; P248-E251 PolarHBondContact O-N 2.87Å; P248-E251 VanDerWaalsContact O-N 3.1Å; P248-S254 WeakPolarHBondContact O-CB 3.27Å; P248-S254 PolarHBondContact O-OG 3.18Å
249	V	94.3	Very high	95.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-9.4	-179.3	77	0	0	0	0	112.5	I85 F101 M108 F111 W257	I85-V249 HydrophobicContact CG1-CB 4.05Å; I85-V249 WeakPolarHBondContact O-CB 3.22Å; I85-V249 WeakPolarHBondContact O-CG1 3.49Å; I85-V249 PolarHBondContact O-N 2.99Å; F101-V249 HydrophobicContact CD2-CG1 4.29Å; F101-V249 HydrophobicContact CE2-CG1 3.73Å; M108-V249 HydrophobicContact CE-CG2 4.47Å; M108-V249 WeakPolarHBondContact CE-O 3.47Å; F111-V249 HydrophobicContact CE2-CG2 4.02Å; F111-V249 HydrophobicContact CZ-CG2 4.29Å; V249-W257 HydrophobicContact CG2-CG 4.49Å; V249-W257 PolarHBondContact O-NE1 3.2Å
250	F	91.8	Very high	95.7	Very high	49 Å²	49	39.8 Å²	39.8	22%	0.215	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-6.8	179.7	-48.4	-61.4	0	0	0	113.2	F100 F101 T104 L105 M108 P248	F100-F250 HydrophobicContact CD1-CD2 4.41Å; F100-F250 HydrophobicContact CD1-CE2 4.15Å; F100-F250 AromaticContact CE1-CD2 3.49Å; F100-F250 HydrophobicContact CE1-CD2 3.49Å; F100-F250 VanDerWaalsContact CE1-CD2 3.49Å; F100-F250 AromaticContact CE1-CE2 3.66Å; F100-F250 HydrophobicContact CE1-CE2 3.66Å; F100-F250 AromaticContact CZ-CD2 3.84Å; F100-F250 HydrophobicContact CZ-CD2 3.84Å; F100-F250 HydrophobicContact CZ-CE2 4.25Å; F101-F250 HydrophobicContact CB-CZ 4.45Å; F101-F250 AromaticContact CD2-CE2 3.71Å; F101-F250 HydrophobicContact CD2-CE2 3.71Å; F101-F250 AromaticContact CD2-CZ 3.47Å; F101-F250 HydrophobicContact CD2-CZ 3.47Å; F101-F250 VanDerWaalsContact CD2-CZ 3.47Å; F101-F250 HydrophobicContact CE2-CE2 4.43Å; F101-F250 AromaticContact CE2-CZ 3.99Å; F101-F250 HydrophobicContact CE2-CZ 3.99Å; F101-F250 HydrophobicContact CG-CZ 4.15Å; T104-F250 HydrophobicContact CG2-CB 4.34Å; T104-F250 HydrophobicContact CG2-CD1 3.2Å; T104-F250 HydrophobicContact CG2-CD2 4.16Å; T104-F250 HydrophobicContact CG2-CE1 3.34Å; T104-F250 HydrophobicContact CG2-CE2 4.26Å; T104-F250 HydrophobicContact CG2-CG 3.63Å; T104-F250 HydrophobicContact CG2-CZ 3.89Å; L105-F250 HydrophobicContact CD2-CE1 4.32Å; L105-F250 HydrophobicContact CG-CE1 4.5Å; M108-F250 HydrophobicContact SD-CD1 3.63Å; M108-F250 HydrophobicContact SD-CE1 3.73Å; P248-F250 PolarHBondContact O-N 3.05Å
251	E	92	Very high	95.6	Very high	70 Å²	70	41.8 Å²	41.8	33%	0.327	19%	0.189	S	C	.	.	S	Bend	trans	-71.3	146	173.5	-71.7	-60	150.4	0	0	111.2	Y94 P248 R253	Y94-E251 HydrophobicContact CE1-CG 4.49Å; Y94-E251 PolarHBondContact OH-OE1 3.37Å; P248-E251 HydrophobicContact CB-CG 4.3Å; P248-E251 HydrophobicContact CG-CG 4.27Å; P248-E251 PolarHBondContact O-N 2.87Å; P248-E251 VanDerWaalsContact O-N 3.1Å; E251-R253 VanDerWaalsContact C-N 3.25Å; E251-R253 PolarHBondContact O-N 3.24Å
252	F	89.8	Confident	95.5	Very high	196 Å²	196	41.9 Å²	41.9	86%	0.86	19%	0.19	S	C	*	.	S	Bend	trans	-57.1	-38.6	-176.4	175.1	-101.3	0	0	0	113
253	R	92.7	Very high	95.5	Very high	187 Å²	187	41.9 Å²	41.9	71%	0.706	19%	0.19	S	C	*	.	S	Bend	trans	-117.6	93.7	174.3	-177.6	-174.3	174	103.4	-0.4	108.3	L247 E251	L247-R253 WeakPolarHBondContact CD1-O 3.36Å; E251-R253 VanDerWaalsContact C-N 3.25Å; E251-R253 PolarHBondContact O-N 3.24Å
254	S	94.4	Very high	95.5	Very high	16 Å²	16	41.9 Å²	41.9	11%	0.112	19%	0.19	C	C	.	.			trans	-127.8	140.1	-179.9	178.6	0	0	0	0	111.3	L247 P248 G256	L247-S254 PolarHBondContact O-OG 2.92Å; P248-S254 WeakPolarHBondContact O-CB 3.27Å; P248-S254 PolarHBondContact O-OG 3.18Å; S254-G256 VanDerWaalsContact C-N 3.27Å; S254-G256 PolarHBondContact OG-N 3.42Å
255	D	96.3	Very high	95.4	Very high	9 Å²	9	45.2 Å²	45.2	5%	0.048	21%	0.207	C	C	.	.	S	Bend	trans	-73	-23.3	166.3	59.5	-44.8	0	0	0	112.1	A245 Q246 L247 W257 N258 N259 F298	A245-D255 WeakPolarHBondContact CA-OD2 3.18Å; Q246-D255 PolarHBondContact N-OD1 3.39Å; Q246-D255 PolarHBondContact N-OD2 3.49Å; L247-D255 PolarHBondContact N-OD1 3.33Å; L247-D255 VanDerWaalsContact N-OD1 3.07Å; D255-W257 PolarHBondContact O-N 3.4Å; D255-W257 VanDerWaalsContact O-N 3.13Å; D255-N258 PolarHBondContact O-N 3.3Å; D255-N259 WeakPolarHBondContact O-CB 3.4Å; D255-N259 VanDerWaalsContact O-CG 3.3Å; D255-N259 PolarHBondContact O-N 2.98Å; D255-N259 VanDerWaalsContact O-N 3.1Å; D255-N259 PolarHBondContact OD2-ND2 2.82Å; D255-F298 HydrophobicContact CB-CB 3.97Å; D255-F298 HydrophobicContact CB-CD1 3.68Å; D255-F298 HydrophobicContact CB-CD2 4.15Å; D255-F298 HydrophobicContact CB-CE1 4.12Å; D255-F298 HydrophobicContact CB-CG 3.7Å
256	G	95.6	Very high	95.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.8	-27.6	180	0	0	0	0	0	114.2	A245 S254 F260	A245-G256 VanDerWaalsContact CB-CA 3.47Å; S254-G256 VanDerWaalsContact C-N 3.27Å; S254-G256 PolarHBondContact OG-N 3.42Å; G256-F260 VanDerWaalsContact O-CB 3.27Å; G256-F260 WeakPolarHBondContact O-CB 3.25Å; G256-F260 PolarHBondContact O-N 2.89Å
257	W	93.4	Very high	95.5	Very high	97 Å²	97	43.9 Å²	43.9	37%	0.367	20%	0.2	S	C	.	.	H	α-helix	trans	-62.5	-57.2	179.3	-70	27.7	0	0	0	110.8	M108 F111 V249 D255 L261	M108-W257 HydrophobicContact CE-CD2 4.25Å; M108-W257 HydrophobicContact CE-CZ2 3.99Å; F111-W257 WeakPolarHBondContact CZ-O 3.49Å; V249-W257 HydrophobicContact CG2-CG 4.49Å; V249-W257 PolarHBondContact O-NE1 3.2Å; D255-W257 PolarHBondContact O-N 3.4Å; D255-W257 VanDerWaalsContact O-N 3.13Å; W257-L261 VanDerWaalsContact O-CB 3.31Å; W257-L261 WeakPolarHBondContact O-CB 3.3Å; W257-L261 PolarHBondContact O-N 3.16Å
258	N	95	Very high	95.5	Very high	122 Å²	122	41.3 Å²	41.3	65%	0.652	19%	0.187	S	C	*	.	H	α-helix	trans	-72.3	-35.4	-176.9	-68.8	-29.5	0	0	0	111.4	D255 G262	D255-N258 PolarHBondContact O-N 3.3Å; N258-G262 WeakPolarHBondContact O-CA 3.49Å; N258-G262 PolarHBondContact O-N 3.39Å
259	N	98	Very high	95.4	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.011	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-50.3	176.5	-75.1	-5.4	0	0	0	111.3	T243 G244 D255 A263 L279 F280 H281	T243-N259 WeakPolarHBondContact OG1-CB 3.25Å; G244-N259 WeakPolarHBondContact O-CB 3.49Å; G244-N259 PolarHBondContact O-ND2 2.83Å; D255-N259 WeakPolarHBondContact O-CB 3.4Å; D255-N259 VanDerWaalsContact O-CG 3.3Å; D255-N259 PolarHBondContact O-N 2.98Å; D255-N259 VanDerWaalsContact O-N 3.1Å; D255-N259 PolarHBondContact OD2-ND2 2.82Å; N259-A263 WeakPolarHBondContact O-CB 3.36Å; N259-A263 PolarHBondContact O-N 3.49Å; N259-L279 VanDerWaalsContact O-CD2 3.31Å; N259-L279 WeakPolarHBondContact O-CD2 3.03Å; N259-F280 WeakPolarHBondContact ND2-CZ 3.41Å; N259-H281 PolarHBondContact OD1-N 3.12Å
260	F	98	Very high	95	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-68.8	-45.4	-179.5	-176.2	-150.7	0	0	0	112.4	V78 I85 F101 L105 F111 Y177 V214 L216 G256 G262 A263 L264	V78-F260 HydrophobicContact CG1-CE2 3.89Å; V78-F260 HydrophobicContact CG1-CZ 4.17Å; V78-F260 HydrophobicContact CG2-CE2 4.14Å; V78-F260 HydrophobicContact CG2-CZ 4.33Å; I85-F260 HydrophobicContact CD1-CB 4.18Å; F101-F260 HydrophobicContact CZ-CD1 4.42Å; F101-F260 HydrophobicContact CZ-CE1 4.02Å; L105-F260 HydrophobicContact CD1-CE1 4.07Å; L105-F260 HydrophobicContact CD2-CD1 4.47Å; L105-F260 HydrophobicContact CD2-CE1 4.04Å; F111-F260 AromaticContact CD1-CD1 3.81Å; F111-F260 HydrophobicContact CD1-CD1 3.81Å; F111-F260 HydrophobicContact CD1-CE1 4.01Å; F111-F260 HydrophobicContact CE1-CB 4.04Å; F111-F260 AromaticContact CE1-CD1 3.38Å; F111-F260 HydrophobicContact CE1-CD1 3.38Å; F111-F260 HydrophobicContact CE1-CE1 4.06Å; F111-F260 AromaticContact CE1-CG 3.89Å; F111-F260 HydrophobicContact CE1-CG 3.89Å; F111-F260 HydrophobicContact CE2-CD1 4.48Å; F111-F260 HydrophobicContact CZ-CB 4.09Å; F111-F260 AromaticContact CZ-CD1 3.77Å; F111-F260 HydrophobicContact CZ-CD1 3.77Å; F111-F260 HydrophobicContact CZ-CG 4.31Å; Y177-F260 HydrophobicContact CE2-CZ 4.11Å; V214-F260 HydrophobicContact CG1-CD2 4.41Å; V214-F260 HydrophobicContact CG1-CE2 4.31Å; L216-F260 HydrophobicContact CD1-CD2 4.25Å; L216-F260 HydrophobicContact CD1-CE2 4.01Å; L216-F260 HydrophobicContact CD1-CZ 4.16Å; L216-F260 HydrophobicContact CD2-CD2 3.65Å; L216-F260 HydrophobicContact CD2-CE2 4Å; L216-F260 HydrophobicContact CD2-CG 4.29Å; L216-F260 HydrophobicContact CG-CD2 4.41Å; L216-F260 HydrophobicContact CG-CE2 4.31Å; G256-F260 VanDerWaalsContact O-CB 3.27Å; G256-F260 WeakPolarHBondContact O-CB 3.25Å; G256-F260 PolarHBondContact O-N 2.89Å; F260-G262 VanDerWaalsContact C-N 3.35Å; F260-G262 PolarHBondContact O-N 2.67Å; F260-A263 PolarHBondContact O-N 2.7Å; F260-L264 HydrophobicContact CD2-CD1 4.18Å; F260-L264 HydrophobicContact CD2-CG 4.05Å; F260-L264 HydrophobicContact CE1-CD1 4.26Å; F260-L264 HydrophobicContact CE2-CD1 3.8Å; F260-L264 HydrophobicContact CE2-CD2 3.95Å; F260-L264 HydrophobicContact CE2-CG 3.72Å; F260-L264 HydrophobicContact CZ-CD1 3.85Å; F260-L264 HydrophobicContact CZ-CD2 4.39Å; F260-L264 HydrophobicContact CZ-CG 4.25Å; F260-L264 PolarHBondContact O-N 2.71Å
261	L	97	Very high	94.9	Very high	42 Å²	42	47.1 Å²	47.1	22%	0.22	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-45.6	178.1	-179.9	63.5	0	0	0	111.1	T110 F111 L166 W257 A263 L264 M265	T110-L261 HydrophobicContact CG2-CD1 4.46Å; T110-L261 HydrophobicContact CG2-CD2 3.83Å; F111-L261 HydrophobicContact CE1-CB 3.88Å; F111-L261 HydrophobicContact CZ-CB 4.29Å; L166-L261 HydrophobicContact CD1-CD1 3.98Å; L166-L261 HydrophobicContact CD2-CD1 4.18Å; W257-L261 VanDerWaalsContact O-CB 3.31Å; W257-L261 WeakPolarHBondContact O-CB 3.3Å; W257-L261 PolarHBondContact O-N 3.16Å; L261-A263 VanDerWaalsContact C-N 3.32Å; L261-A263 PolarHBondContact O-N 3.13Å; L261-L264 PolarHBondContact O-N 3.14Å; L261-M265 HydrophobicContact CD1-CG 4.46Å; L261-M265 HydrophobicContact CD1-SD 4.49Å; L261-M265 HydrophobicContact CG-SD 4.09Å; L261-M265 VanDerWaalsContact O-CG 3.29Å; L261-M265 WeakPolarHBondContact O-CG 3.37Å; L261-M265 PolarHBondContact O-N 3.09Å
262	G	97.6	Very high	94.8	Very high	3 Å²	3	44 Å²	44	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-42.3	176	0	0	0	0	0	112.2	N258 F260 M265 I266	N258-G262 WeakPolarHBondContact O-CA 3.49Å; N258-G262 PolarHBondContact O-N 3.39Å; F260-G262 VanDerWaalsContact C-N 3.35Å; F260-G262 PolarHBondContact O-N 2.67Å; G262-M265 PolarHBondContact O-N 3.19Å; G262-I266 WeakPolarHBondContact O-CG1 3.26Å; G262-I266 PolarHBondContact O-N 3.18Å
263	A	98.5	Very high	95	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.2	-43.2	177.1	0	0	0	0	0	112.5	V214 V241 T243 N259 F260 L261 I266 A267	V214-A263 HydrophobicContact CG1-CB 3.92Å; V214-A263 HydrophobicContact CG2-CB 4.11Å; V241-A263 HydrophobicContact CB-CB 4.29Å; V241-A263 HydrophobicContact CG1-CB 3.8Å; T243-A263 HydrophobicContact CG2-CB 3.69Å; N259-A263 WeakPolarHBondContact O-CB 3.36Å; N259-A263 PolarHBondContact O-N 3.49Å; F260-A263 PolarHBondContact O-N 2.7Å; L261-A263 VanDerWaalsContact C-N 3.32Å; L261-A263 PolarHBondContact O-N 3.13Å; A263-I266 PolarHBondContact O-N 2.78Å; A263-A267 VanDerWaalsContact O-CB 3.32Å; A263-A267 WeakPolarHBondContact O-CB 3.4Å; A263-A267 PolarHBondContact O-N 3.33Å
264	L	98.2	Very high	94.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.3	-43.9	173.9	-70.8	171.7	0	0	0	111.5	V76 V78 F111 L166 I175 Y177 V214 F260 L261 A267 G268	V76-L264 HydrophobicContact CB-CD2 4.49Å; V76-L264 HydrophobicContact CG1-CD2 3.96Å; V78-L264 HydrophobicContact CG2-CD2 3.68Å; F111-L264 HydrophobicContact CD1-CD1 4.23Å; F111-L264 HydrophobicContact CE1-CD1 4.5Å; L166-L264 HydrophobicContact CD1-CB 3.99Å; L166-L264 HydrophobicContact CD1-CD1 4.13Å; L166-L264 HydrophobicContact CD2-CD1 4.04Å; L166-L264 HydrophobicContact CG-CD1 4.38Å; I175-L264 WeakPolarHBondContact CD1-O 3.5Å; Y177-L264 HydrophobicContact CD1-CD1 4.21Å; Y177-L264 HydrophobicContact CD1-CD2 4.3Å; Y177-L264 HydrophobicContact CD2-CD1 4.49Å; Y177-L264 HydrophobicContact CD2-CD2 4.05Å; Y177-L264 HydrophobicContact CE1-CD1 4.06Å; Y177-L264 HydrophobicContact CE2-CD1 4.35Å; Y177-L264 HydrophobicContact CG-CD1 4.42Å; Y177-L264 HydrophobicContact CG-CD2 3.85Å; V214-L264 HydrophobicContact CG2-CD2 4.2Å; F260-L264 HydrophobicContact CD2-CD1 4.18Å; F260-L264 HydrophobicContact CD2-CG 4.05Å; F260-L264 HydrophobicContact CE1-CD1 4.26Å; F260-L264 HydrophobicContact CE2-CD1 3.8Å; F260-L264 HydrophobicContact CE2-CD2 3.95Å; F260-L264 HydrophobicContact CE2-CG 3.72Å; F260-L264 HydrophobicContact CZ-CD1 3.85Å; F260-L264 HydrophobicContact CZ-CD2 4.39Å; F260-L264 HydrophobicContact CZ-CG 4.25Å; F260-L264 PolarHBondContact O-N 2.71Å; L261-L264 PolarHBondContact O-N 3.14Å; L264-A267 PolarHBondContact O-N 3.06Å; L264-G268 PolarHBondContact O-N 3.18Å
265	M	96.9	Very high	95	Very high	70 Å²	70	27.3 Å²	27.3	35%	0.345	14%	0.137	S	C	.	.	H	α-helix	trans	-63.5	-39.9	178	-70.2	176.1	76.3	0	0	112.3	L261 G262 G269 I316	L261-M265 HydrophobicContact CD1-CG 4.46Å; L261-M265 HydrophobicContact CD1-SD 4.49Å; L261-M265 HydrophobicContact CG-SD 4.09Å; L261-M265 VanDerWaalsContact O-CG 3.29Å; L261-M265 WeakPolarHBondContact O-CG 3.37Å; L261-M265 PolarHBondContact O-N 3.09Å; G262-M265 PolarHBondContact O-N 3.19Å; M265-G269 WeakPolarHBondContact O-CA 3.46Å; M265-G269 PolarHBondContact O-N 2.69Å; M265-I316 HydrophobicContact CB-CD1 4.32Å; M265-I316 HydrophobicContact CE-CD1 3.83Å
266	I	97.5	Very high	95.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-69	-44.7	175.7	-66.1	-59.7	0	0	0	111.1	V241 G262 A263 Y271 I273 L279 L284 L312 I316	V241-I266 HydrophobicContact CG2-CB 4.13Å; V241-I266 HydrophobicContact CG2-CG2 3.67Å; G262-I266 WeakPolarHBondContact O-CG1 3.26Å; G262-I266 PolarHBondContact O-N 3.18Å; A263-I266 PolarHBondContact O-N 2.78Å; I266-Y271 HydrophobicContact CD1-CD2 4.18Å; I266-Y271 HydrophobicContact CD1-CE2 4.15Å; I266-I273 HydrophobicContact CG2-CD1 4Å; I266-L279 HydrophobicContact CG1-CD1 3.68Å; I266-L284 HydrophobicContact CD1-CD2 4.47Å; I266-L284 HydrophobicContact CG1-CD2 4.48Å; I266-L284 HydrophobicContact CG2-CD1 4.19Å; I266-L284 HydrophobicContact CG2-CD2 3.83Å; I266-L312 HydrophobicContact CD1-CD1 4.25Å; I266-L312 HydrophobicContact CG1-CD1 4.45Å; I266-I316 HydrophobicContact CD1-CD1 4.45Å; I266-I316 HydrophobicContact CD1-CG2 3.84Å
267	A	97.7	Very high	95.3	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.017	14%	0.137	C	C	.	.	H	α-helix	trans	-68.4	-39.8	-178.4	0	0	0	0	0	112.9	V76 V214 P239 V241 A263 L264	V76-A267 HydrophobicContact CG1-CB 3.91Å; V76-A267 HydrophobicContact CG2-CB 4.12Å; V214-A267 HydrophobicContact CG2-CB 3.71Å; P239-A267 WeakPolarHBondContact CG-O 3.49Å; V241-A267 HydrophobicContact CG2-CB 4.17Å; A263-A267 VanDerWaalsContact O-CB 3.32Å; A263-A267 WeakPolarHBondContact O-CB 3.4Å; A263-A267 PolarHBondContact O-N 3.33Å; L264-A267 PolarHBondContact O-N 3.06Å
268	G	95.7	Very high	95.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-95.7	-15.5	-177.7	0	0	0	0	0	114.7	S74 V76 H173 L264 K270	S74-G268 WeakPolarHBondContact CB-O 2.79Å; S74-G268 PolarHBondContact OG-O 2.92Å; V76-G268 VanDerWaalsContact CG2-CA 3.46Å; H173-G268 PolarHBondContact NE2-O 2.81Å; H173-G268 VanDerWaalsContact NE2-O 3.07Å; L264-G268 PolarHBondContact O-N 3.18Å; G268-K270 PolarHBondContact O-N 3.1Å
269	G	92.2	Very high	95.7	Very high	23 Å²	23	16.7 Å²	16.7	24%	0.237	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	9.1	-171.8	0	0	0	0	0	115.9	M265 Y271	M265-G269 WeakPolarHBondContact O-CA 3.46Å; M265-G269 PolarHBondContact O-N 2.69Å; G269-Y271 PolarHBondContact O-N 3.07Å
270	K	86.8	Confident	95.7	Very high	90 Å²	90	16.7 Å²	16.7	39%	0.391	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	29.1	179.3	-57.9	-175.7	174.1	-179.1	0	114.6	S74 G268	S74-K270 VanDerWaalsContact OG-CE 3.29Å; S74-K270 WeakPolarHBondContact OG-CE 3.37Å; G268-K270 PolarHBondContact O-N 3.1Å
271	Y	90.2	Very high	95.6	Very high	61 Å²	61	21.6 Å²	21.6	24%	0.239	11%	0.111	C	C	.	.			trans	-75.7	141.3	172.5	-56.8	-63.2	0	0	0	111	I266 G269 I273 I316 I318	I266-Y271 HydrophobicContact CD1-CD2 4.18Å; I266-Y271 HydrophobicContact CD1-CE2 4.15Å; G269-Y271 PolarHBondContact O-N 3.07Å; Y271-I273 PolarHBondContact O-N 3.01Å; Y271-I316 HydrophobicContact CE2-CD1 4.31Å; Y271-I316 HydrophobicContact CE2-CG2 4.38Å; Y271-I318 HydrophobicContact CD1-CD1 3.07Å; Y271-I318 HydrophobicContact CD1-CG1 4.46Å; Y271-I318 HydrophobicContact CD2-CD1 4.05Å; Y271-I318 HydrophobicContact CE1-CD1 3.63Å; Y271-I318 HydrophobicContact CG-CD1 3.29Å
272	A	89.4	Confident	95.6	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.033	12%	0.118	C	C	.	.			trans	-79.1	55.2	178.6	0	0	0	0	0	112.8	Y320 I323 Q548 F550 I582	A272-Y320 HydrophobicContact CB-CE1 4Å; A272-I323 WeakPolarHBondContact O-CD1 3.47Å; A272-Q548 HydrophobicContact CB-CG 3.85Å; A272-F550 HydrophobicContact CB-CZ 3.9Å; A272-I582 HydrophobicContact CB-CD1 3.64Å; A272-I582 HydrophobicContact CB-CG1 3.98Å
273	I	92.9	Very high	95.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.132	C	C	.	.			trans	-102.6	92.8	177.4	-59.4	164.5	0	0	0	107.8	P239 I266 Y271 E275 T277 L284 I318 I323	P239-I273 WeakPolarHBondContact CA-O 3.14Å; P239-I273 WeakPolarHBondContact CB-O 3.4Å; I266-I273 HydrophobicContact CG2-CD1 4Å; Y271-I273 PolarHBondContact O-N 3.01Å; I273-E275 VanDerWaalsContact C-N 3.29Å; I273-E275 HydrophobicContact CG2-CB 4.48Å; I273-E275 PolarHBondContact O-N 3.44Å; I273-T277 HydrophobicContact CG2-CG2 3.93Å; I273-L284 HydrophobicContact CD1-CD2 3.68Å; I273-L284 HydrophobicContact CG2-CD2 4.45Å; I273-I318 HydrophobicContact CD1-CD1 4Å; I273-I318 HydrophobicContact CD1-CG2 4.37Å; I273-I318 HydrophobicContact CG1-CG2 4.4Å; I273-I323 HydrophobicContact CG1-CD1 3.91Å
274	C	92.1	Very high	95.6	Very high	33 Å²	33	25.1 Å²	25.1	22%	0.223	13%	0.132	C	C	.	.			trans	-94	49.7	-177.7	-58.9	0	0	0	0	111.5	L236 G237	L236-C274 WeakPolarHBondContact O-CB 3.42Å; G237-C274 PolarHBondContact O-SG 2.89Å
275	E	95.9	Very high	95.6	Very high	14 Å²	14	25.3 Å²	25.3	7%	0.065	13%	0.133	C	C	.	.	S	Bend	trans	-137.7	158.4	-173.8	-67.9	-166.9	-124.6	0	0	112.2	L236 V240 I273 T277 R286 I323 F324	L236-E275 VanDerWaalsContact CD2-C 3.47Å; V240-E275 PolarHBondContact N-O 3.31Å; I273-E275 VanDerWaalsContact C-N 3.29Å; I273-E275 HydrophobicContact CG2-CB 4.48Å; I273-E275 PolarHBondContact O-N 3.44Å; E275-T277 HydrophobicContact CB-CG2 4.01Å; E275-R286 IonicContact OE1-CZ 3.79Å; E275-R286 IonicContact OE1-NE 2.7Å; E275-R286 IonicContact OE1-NH2 3.68Å; E275-R286 PolarHBondContact OE1-NH2 3.31Å; E275-R286 IonicContact OE2-CZ 3.83Å; E275-R286 IonicContact OE2-NE 2.89Å; E275-R286 PolarHBondContact OE2-NE 2.76Å; E275-R286 IonicContact OE2-NH2 3.52Å; E275-R286 PolarHBondContact OE2-NH2 2.86Å; E275-I323 HydrophobicContact CG-CG2 4.35Å; E275-I323 VanDerWaalsContact OE1-CA 3.29Å; E275-I323 WeakPolarHBondContact OE1-CA 3.49Å; E275-I323 WeakPolarHBondContact OE1-CG2 3.47Å; E275-F324 PolarHBondContact OE1-N 3.47Å
276	V	98.6	Very high	95.7	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.03	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	121	160.9	179.6	0	0	0	0	107.8	A226 L229 L233 L236 V240 L242 G287	A226-V276 WeakPolarHBondContact O-CG1 3.26Å; L229-V276 HydrophobicContact CB-CG1 4.08Å; L229-V276 HydrophobicContact CB-CG2 4.18Å; L233-V276 HydrophobicContact CD1-CG2 3.97Å; L236-V276 HydrophobicContact CD2-CG2 3.93Å; V240-V276 HydrophobicContact CB-CG2 4.17Å; V240-V276 HydrophobicContact CG1-CG2 4.42Å; V240-V276 CarbonylContact O-C 3.6Å; V240-V276 WeakPolarHBondContact O-CA 3.45Å; L242-V276 HydrophobicContact CD1-CG1 3.34Å; V276-G287 WeakPolarHBondContact O-CA 3.37Å; V276-G287 PolarHBondContact O-N 2.8Å
277	T	98.8	Very high	95.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	161.7	-173.3	53.3	0	0	0	0	111.1	V240 L242 I273 E275 L284 F285 I309	V240-T277 PolarHBondContact O-N 3.34Å; V240-T277 PolarHBondContact O-OG1 3.05Å; L242-T277 WeakPolarHBondContact CD1-O 3.07Å; L242-T277 PolarHBondContact N-O 2.7Å; I273-T277 HydrophobicContact CG2-CG2 3.93Å; E275-T277 HydrophobicContact CB-CG2 4.01Å; T277-L284 HydrophobicContact CG2-CD1 4.42Å; T277-L284 HydrophobicContact CG2-CD2 4.32Å; T277-L284 HydrophobicContact CG2-CG 4.25Å; T277-F285 CarbonylContact C-O 3.43Å; T277-F285 WeakPolarHBondContact CA-O 3.32Å; T277-F285 VanDerWaalsContact CB-O 3.27Å; T277-F285 WeakPolarHBondContact CB-O 3.5Å; T277-I309 HydrophobicContact CG2-CD1 4.07Å
278	V	98.8	Very high	95.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.6	173.7	173.1	0	0	0	0	108.2	L222 A226 L242 F285 V290	L222-V278 HydrophobicContact CD2-CB 4.12Å; L222-V278 HydrophobicContact CD2-CG1 3.5Å; L222-V278 VanDerWaalsContact CD2-CG1 3.5Å; L222-V278 HydrophobicContact CD2-CG2 3.45Å; L222-V278 VanDerWaalsContact CD2-CG2 3.45Å; A226-V278 HydrophobicContact CB-CG2 3.58Å; L242-V278 HydrophobicContact CB-CG2 4.2Å; L242-V278 WeakPolarHBondContact O-CA 3.31Å; V278-F285 PolarHBondContact N-O 3.1Å; V278-F285 PolarHBondContact O-N 3.1Å; V278-V290 HydrophobicContact CB-CG1 3.98Å; V278-V290 HydrophobicContact CB-CG2 4.29Å; V278-V290 HydrophobicContact CG1-CG1 4.46Å; V278-V290 HydrophobicContact CG2-CG1 4.27Å; V278-V290 HydrophobicContact CG2-CG2 3.73Å
279	L	98.6	Very high	95.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.4	174.2	-171.1	143.6	0	0	0	110.1	V241 L242 T243 N259 I266 K283 L284 L312	V241-L279 HydrophobicContact CG1-CB 3.71Å; L242-L279 PolarHBondContact O-N 3.01Å; T243-L279 WeakPolarHBondContact CB-O 3.47Å; T243-L279 PolarHBondContact OG1-O 2.85Å; N259-L279 VanDerWaalsContact O-CD2 3.31Å; N259-L279 WeakPolarHBondContact O-CD2 3.03Å; I266-L279 HydrophobicContact CG1-CD1 3.68Å; L279-K283 WeakPolarHBondContact CA-O 3.4Å; L279-L284 HydrophobicContact CB-CD1 3.82Å; L279-L284 HydrophobicContact CD1-CD1 4.09Å; L279-L284 HydrophobicContact CG-CD1 4.4Å; L279-L312 HydrophobicContact CD1-CD1 3.86Å; L279-L312 HydrophobicContact CD1-CD2 3.88Å
280	F	97.8	Very high	96.2	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.009	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	137.4	176.3	-128.5	-94	0	0	0	109.9	T219 G244 N259 A282 K283 F298 A300 F301	T219-F280 HydrophobicContact CG2-CE2 4.09Å; T219-F280 HydrophobicContact CG2-CZ 3.91Å; G244-F280 VanDerWaalsContact C-CE2 3.47Å; G244-F280 VanDerWaalsContact O-CE2 3.31Å; G244-F280 WeakPolarHBondContact O-CE2 3.3Å; N259-F280 WeakPolarHBondContact ND2-CZ 3.41Å; F280-A282 PolarHBondContact O-N 2.79Å; F280-K283 PolarHBondContact N-O 2.79Å; F280-K283 PolarHBondContact O-N 2.97Å; F280-F298 WeakPolarHBondContact CD1-O 3.36Å; F280-F298 VanDerWaalsContact CE1-O 3.27Å; F280-F298 WeakPolarHBondContact CE1-O 3.36Å; F280-A300 HydrophobicContact CD1-CB 4.27Å; F280-A300 HydrophobicContact CE1-CB 3.85Å; F280-A300 HydrophobicContact CZ-CB 4.46Å; F280-F301 HydrophobicContact CB-CB 4.32Å; F280-F301 HydrophobicContact CB-CD2 4.22Å; F280-F301 AromaticContact CD1-CD2 3.99Å; F280-F301 HydrophobicContact CD1-CD2 3.99Å; F280-F301 AromaticContact CD2-CD2 3.63Å; F280-F301 HydrophobicContact CD2-CD2 3.63Å; F280-F301 AromaticContact CD2-CE2 3.92Å; F280-F301 HydrophobicContact CD2-CE2 3.92Å; F280-F301 HydrophobicContact CE1-CD2 4.26Å; F280-F301 AromaticContact CE2-CD2 3.9Å; F280-F301 HydrophobicContact CE2-CD2 3.9Å; F280-F301 AromaticContact CE2-CE2 3.76Å; F280-F301 HydrophobicContact CE2-CE2 3.76Å; F280-F301 AromaticContact CG-CD2 3.67Å; F280-F301 HydrophobicContact CG-CD2 3.67Å; F280-F301 HydrophobicContact CG-CE2 4.38Å; F280-F301 HydrophobicContact CZ-CD2 4.22Å; F280-F301 HydrophobicContact CZ-CE2 4.11Å
281	H	96.9	Very high	96.7	Very high	103 Å²	103	17.5 Å²	17.5	48%	0.477	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	52	174.9	-162.4	74	0	0	0	113.7	N259 K283 D299	N259-H281 PolarHBondContact OD1-N 3.12Å; H281-K283 PolarHBondContact O-N 2.92Å; H281-K283 VanDerWaalsContact O-N 3.11Å; H281-D299 HydrophobicContact CB-CB 4.18Å
282	A	96.8	Very high	97.1	Very high	46 Å²	46	17 Å²	17	38%	0.38	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	15.1	179.5	0	0	0	0	0	115.9	F280 E311 L312	F280-A282 PolarHBondContact O-N 2.79Å; A282-E311 WeakPolarHBondContact O-CA 3.46Å; A282-L312 HydrophobicContact CB-CB 4.18Å; A282-L312 PolarHBondContact O-N 2.67Å
283	K	98.1	Very high	97.3	Very high	73 Å²	73	19.8 Å²	19.8	32%	0.317	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.7	173.1	-66.2	179	177.9	178.2	0	110.7	L279 F280 H281 F285 A308	L279-K283 WeakPolarHBondContact CA-O 3.4Å; F280-K283 PolarHBondContact N-O 2.79Å; F280-K283 PolarHBondContact O-N 2.97Å; H281-K283 PolarHBondContact O-N 2.92Å; H281-K283 VanDerWaalsContact O-N 3.11Å; K283-F285 HydrophobicContact CB-CD2 4.41Å; K283-F285 HydrophobicContact CB-CE1 4.11Å; K283-F285 HydrophobicContact CB-CE2 3.67Å; K283-F285 HydrophobicContact CB-CZ 3.51Å; K283-F285 HydrophobicContact CD-CE1 4.11Å; K283-F285 HydrophobicContact CD-CZ 3.62Å; K283-F285 HydrophobicContact CG-CZ 4.23Å; K283-A308 HydrophobicContact CB-CB 4.37Å
284	L	98.4	Very high	97.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.3	173.6	-172.6	75.3	0	0	0	109.4	V241 I266 I273 T277 L279 A308 I309 A310	V241-L284 HydrophobicContact CG1-CD1 4Å; I266-L284 HydrophobicContact CD1-CD2 4.47Å; I266-L284 HydrophobicContact CG1-CD2 4.48Å; I266-L284 HydrophobicContact CG2-CD1 4.19Å; I266-L284 HydrophobicContact CG2-CD2 3.83Å; I273-L284 HydrophobicContact CD1-CD2 3.68Å; I273-L284 HydrophobicContact CG2-CD2 4.45Å; T277-L284 HydrophobicContact CG2-CD1 4.42Å; T277-L284 HydrophobicContact CG2-CD2 4.32Å; T277-L284 HydrophobicContact CG2-CG 4.25Å; L279-L284 HydrophobicContact CB-CD1 3.82Å; L279-L284 HydrophobicContact CD1-CD1 4.09Å; L279-L284 HydrophobicContact CG-CD1 4.4Å; L284-A308 CarbonylContact O-C 3.55Å; L284-A308 WeakPolarHBondContact O-CA 3.31Å; L284-I309 HydrophobicContact CD2-CB 4.5Å; L284-I309 HydrophobicContact CD2-CG2 4.38Å; L284-I309 PolarHBondContact O-N 2.94Å; L284-A310 HydrophobicContact CB-CB 3.83Å; L284-A310 HydrophobicContact CD2-CB 3.99Å; L284-A310 PolarHBondContact N-O 3.29Å; L284-A310 PolarHBondContact O-N 2.67Å
285	F	98.4	Very high	97.6	Very high	3 Å²	3	23.7 Å²	23.7	1%	0.013	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	153.1	-178.4	-55.3	-77.3	0	0	0	111.4	T277 V278 K283 G287 V290 E302 A308	T277-F285 CarbonylContact C-O 3.43Å; T277-F285 WeakPolarHBondContact CA-O 3.32Å; T277-F285 VanDerWaalsContact CB-O 3.27Å; T277-F285 WeakPolarHBondContact CB-O 3.5Å; V278-F285 PolarHBondContact N-O 3.1Å; V278-F285 PolarHBondContact O-N 3.1Å; K283-F285 HydrophobicContact CB-CD2 4.41Å; K283-F285 HydrophobicContact CB-CE1 4.11Å; K283-F285 HydrophobicContact CB-CE2 3.67Å; K283-F285 HydrophobicContact CB-CZ 3.51Å; K283-F285 HydrophobicContact CD-CE1 4.11Å; K283-F285 HydrophobicContact CD-CZ 3.62Å; K283-F285 HydrophobicContact CG-CZ 4.23Å; F285-G287 PolarHBondContact O-N 3.32Å; F285-V290 HydrophobicContact CB-CG1 3.3Å; F285-V290 HydrophobicContact CD2-CG1 4.19Å; F285-V290 HydrophobicContact CG-CG1 3.94Å; F285-E302 VanDerWaalsContact CE1-OE1 3.31Å; F285-E302 WeakPolarHBondContact CE1-OE1 3.2Å; F285-A308 HydrophobicContact CD1-CB 4.04Å; F285-A308 HydrophobicContact CE1-CB 4Å
286	R	98.4	Very high	97.4	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.015	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	126.5	165.6	173.9	170.7	-70.9	130.6	21.9	109.3	E275 S288 R289 V290 Y306 I309 L322 F324 G465	E275-R286 IonicContact OE1-CZ 3.79Å; E275-R286 IonicContact OE1-NE 2.7Å; E275-R286 IonicContact OE1-NH2 3.68Å; E275-R286 PolarHBondContact OE1-NH2 3.31Å; E275-R286 IonicContact OE2-CZ 3.83Å; E275-R286 IonicContact OE2-NE 2.89Å; E275-R286 PolarHBondContact OE2-NE 2.76Å; E275-R286 IonicContact OE2-NH2 3.52Å; E275-R286 PolarHBondContact OE2-NH2 2.86Å; R286-S288 VanDerWaalsContact C-N 3.32Å; R286-S288 WeakPolarHBondContact CD-OG 3.46Å; R286-S288 WeakPolarHBondContact CG-OG 3.44Å; R286-S288 PolarHBondContact O-N 3.06Å; R286-R289 HydrophobicContact CB-CB 4.1Å; R286-R289 HydrophobicContact CB-CG 4Å; R286-R289 HydrophobicContact CG-CB 4.32Å; R286-R289 HydrophobicContact CG-CG 3.88Å; R286-R289 PolarHBondContact O-N 2.82Å; R286-V290 PolarHBondContact O-N 3.28Å; R286-Y306 VanDerWaalsContact NH1-CE1 3.32Å; R286-Y306 VanDerWaalsContact NH1-CZ 3.27Å; R286-Y306 PolarHBondContact NH1-OH 2.85Å; R286-I309 HydrophobicContact CB-CD1 3.99Å; R286-L322 PolarHBondContact NH2-O 3.26Å; R286-F324 VanDerWaalsContact NH2-CB 3.33Å; R286-G465 WeakPolarHBondContact CD-O 3.26Å; R286-G465 PolarHBondContact NH1-O 2.81Å; R286-G465 VanDerWaalsContact NH1-O 3.1Å
287	G	98.3	Very high	97.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-60.8	-37.2	-173.8	0	0	0	0	0	114.1	V276 F285 R289 V290	V276-G287 WeakPolarHBondContact O-CA 3.37Å; V276-G287 PolarHBondContact O-N 2.8Å; F285-G287 PolarHBondContact O-N 3.32Å; G287-R289 PolarHBondContact O-N 2.83Å; G287-V290 VanDerWaalsContact O-CG2 3.27Å; G287-V290 WeakPolarHBondContact O-CG2 3.42Å
288	S	98.2	Very high	97.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-77.6	9.3	175.5	61.8	0	0	0	0	114.6	R286 A435 R464	R286-S288 VanDerWaalsContact C-N 3.32Å; R286-S288 WeakPolarHBondContact CD-OG 3.46Å; R286-S288 WeakPolarHBondContact CG-OG 3.44Å; R286-S288 PolarHBondContact O-N 3.06Å; S288-A435 VanDerWaalsContact O-CB 3.24Å; S288-A435 WeakPolarHBondContact O-CB 3.41Å; S288-R464 PolarHBondContact OG-O 2.98Å
289	R	98.4	Very high	96.9	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.015	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-126.9	2.2	179.6	-66.3	-73.6	-159.6	148.3	7.1	113.2	R286 G287 S303 Y306 D430 G465 E466 V467 T468	R286-R289 HydrophobicContact CB-CB 4.1Å; R286-R289 HydrophobicContact CB-CG 4Å; R286-R289 HydrophobicContact CG-CB 4.32Å; R286-R289 HydrophobicContact CG-CG 3.88Å; R286-R289 PolarHBondContact O-N 2.82Å; G287-R289 PolarHBondContact O-N 2.83Å; R289-S303 VanDerWaalsContact CB-OG 3.24Å; R289-S303 WeakPolarHBondContact CB-OG 3.28Å; R289-S303 WeakPolarHBondContact O-CA 3.28Å; R289-S303 PolarHBondContact O-OG 3.08Å; R289-Y306 HydrophobicContact CG-CG 4.44Å; R289-D430 IonicContact CZ-OD2 3.76Å; R289-D430 IonicContact NH1-OD1 3.65Å; R289-D430 PolarHBondContact NH1-OD1 3.47Å; R289-D430 IonicContact NH1-OD2 2.83Å; R289-D430 PolarHBondContact NH1-OD2 3.13Å; R289-D430 IonicContact NH2-OD2 2.65Å; R289-G465 PolarHBondContact NE-O 2.8Å; R289-G465 PolarHBondContact NH2-O 2.85Å; R289-E466 WeakPolarHBondContact CD-O 3.43Å; R289-E466 VanDerWaalsContact CZ-C 3.49Å; R289-E466 PolarHBondContact NE-O 3.49Å; R289-E466 VanDerWaalsContact NE-O 3.14Å; R289-V467 PolarHBondContact NH2-O 2.97Å; R289-T468 VanDerWaalsContact NH2-N 3.15Å; R289-T468 PolarHBondContact NH2-OG1 3.05Å
290	V	98.1	Very high	96.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.213	C	C	.	.			trans	-90.9	156.8	179.7	-64.5	0	0	0	0	112.6	A223 A226 V278 F285 R286 G287 E302	A223-V290 HydrophobicContact CB-CG2 3.93Å; A226-V290 HydrophobicContact CB-CG2 4.46Å; V278-V290 HydrophobicContact CB-CG1 3.98Å; V278-V290 HydrophobicContact CB-CG2 4.29Å; V278-V290 HydrophobicContact CG1-CG1 4.46Å; V278-V290 HydrophobicContact CG2-CG1 4.27Å; V278-V290 HydrophobicContact CG2-CG2 3.73Å; F285-V290 HydrophobicContact CB-CG1 3.3Å; F285-V290 HydrophobicContact CD2-CG1 4.19Å; F285-V290 HydrophobicContact CG-CG1 3.94Å; R286-V290 PolarHBondContact O-N 3.28Å; G287-V290 VanDerWaalsContact O-CG2 3.27Å; G287-V290 WeakPolarHBondContact O-CG2 3.42Å; V290-E302 WeakPolarHBondContact CA-O 3.42Å
291	V	97.8	Very high	96.8	Very high	14 Å²	14	38.7 Å²	38.7	9%	0.085	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	145.1	175.6	-86.9	0	0	0	0	107.8	C293 F301 E302 P304 W406 T432 E434	V291-C293 PolarHBondContact O-N 2.95Å; V291-F301 WeakPolarHBondContact O-CA 3.46Å; V291-E302 WeakPolarHBondContact CG2-O 3.44Å; V291-E302 PolarHBondContact N-O 2.8Å; V291-E302 VanDerWaalsContact N-O 3.13Å; V291-E302 PolarHBondContact O-N 3.31Å; V291-P304 HydrophobicContact CG2-CG 3.72Å; V291-W406 HydrophobicContact CB-CH2 3.73Å; V291-W406 HydrophobicContact CB-CZ3 3.52Å; V291-W406 HydrophobicContact CG1-CZ3 4.35Å; V291-W406 HydrophobicContact CG2-CE3 4.16Å; V291-W406 HydrophobicContact CG2-CH2 3.03Å; V291-W406 HydrophobicContact CG2-CZ2 3.91Å; V291-W406 HydrophobicContact CG2-CZ3 3.21Å; V291-T432 HydrophobicContact CG1-CG2 3.76Å; V291-E434 WeakPolarHBondContact CG1-OE2 3.26Å
292	K	97.9	Very high	96.8	Very high	51 Å²	51	37 Å²	37	22%	0.222	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	109.3	173.9	-169.2	178.6	-174.4	169.9	0	108.9	T219 D220 S294 A300 F301	T219-K292 WeakPolarHBondContact O-CD 3.34Å; T219-K292 PolarHBondContact OG1-NZ 2.88Å; D220-K292 IonicContact OD1-NZ 3.51Å; D220-K292 PolarHBondContact OD1-NZ 3.28Å; K292-S294 VanDerWaalsContact CE-O 3.31Å; K292-S294 WeakPolarHBondContact CE-O 3.37Å; K292-A300 CarbonylContact C-O 3.2Å; K292-A300 WeakPolarHBondContact CA-O 3.4Å; K292-F301 HydrophobicContact CB-CD1 4.28Å; K292-F301 HydrophobicContact CB-CE1 3.9Å; K292-F301 HydrophobicContact CB-CZ 4.39Å; K292-F301 HydrophobicContact CG-CE1 4.29Å; K292-F301 HydrophobicContact CG-CZ 4.32Å
293	C	95	Very high	96.8	Very high	61 Å²	61	35.1 Å²	35.1	41%	0.412	19%	0.191	S	C	.	.			trans	-92.2	-20.4	-177.1	60.9	0	0	0	0	113.7	V291 D299 A300 E302 W406	V291-C293 PolarHBondContact O-N 2.95Å; C293-D299 PolarHBondContact SG-O 2.78Å; C293-A300 PolarHBondContact N-O 3.3Å; C293-A300 PolarHBondContact SG-O 3.15Å; C293-A300 VanDerWaalsContact SG-O 3.36Å; C293-E302 HydrophobicContact CB-CB 4.46Å; C293-W406 HydrophobicContact CB-CH2 3.35Å; C293-W406 HydrophobicContact CB-CZ2 3.68Å; C293-W406 HydrophobicContact CB-CZ3 4.11Å
294	S	96.2	Very high	96.7	Very high	18 Å²	18	32.2 Å²	32.2	13%	0.126	18%	0.179	C	C	.	.			trans	-141.1	144.1	-178	-177.7	0	0	0	0	111.7	K292 N296 N297 A300	K292-S294 VanDerWaalsContact CE-O 3.31Å; K292-S294 WeakPolarHBondContact CE-O 3.37Å; S294-N296 PolarHBondContact OG-N 3.49Å; S294-N296 PolarHBondContact OG-OD1 3Å; S294-N297 WeakPolarHBondContact OG-CB 3.31Å; S294-N297 PolarHBondContact OG-N 3.39Å; S294-A300 PolarHBondContact N-O 3.41Å
295	S	94.1	Very high	96.5	Very high	98 Å²	98	34.1 Å²	34.1	69%	0.685	19%	0.189	S	C	*	.	S	Bend	trans	-95.1	-7.8	175.1	56.8	0	0	0	0	113.5	Q246	Q246-S295 PolarHBondContact OE1-O 2.93Å
296	N	92	Very high	96.4	Very high	117 Å²	117	36 Å²	36	63%	0.626	20%	0.196	S	C	*	.	S	Bend	trans	-138.9	-20.5	-172.4	65	-14.5	0	0	0	115.1	S294	S294-N296 PolarHBondContact OG-N 3.49Å; S294-N296 PolarHBondContact OG-OD1 3Å
297	N	95.2	Very high	96.2	Very high	81 Å²	81	39.4 Å²	39.4	43%	0.433	22%	0.219	S	C	.	.	S	Bend	trans	-84.8	152.3	178.3	-59.2	-25.7	0	0	0	111.3	Q246 S294 D299 A300	Q246-N297 WeakPolarHBondContact CG-O 3.49Å; S294-N297 WeakPolarHBondContact OG-CB 3.31Å; S294-N297 PolarHBondContact OG-N 3.39Å; N297-D299 VanDerWaalsContact C-N 3.27Å; N297-D299 WeakPolarHBondContact CB-OD1 3.2Å; N297-D299 PolarHBondContact O-N 2.62Å; N297-A300 WeakPolarHBondContact O-CB 3.46Å; N297-A300 PolarHBondContact O-N 2.92Å
298	F	95.3	Very high	96.1	Very high	55 Å²	55	40 Å²	40	24%	0.241	22%	0.224	C	C	.	.	S	Bend	trans	-69.2	-22	176.9	-65.8	-22.3	0	0	0	113.6	Q246 L247 D255 F280 A300	Q246-F298 HydrophobicContact CB-CD1 4.12Å; Q246-F298 HydrophobicContact CB-CE1 4.37Å; Q246-F298 HydrophobicContact CG-CD1 4.45Å; L247-F298 HydrophobicContact CD1-CE1 3.91Å; L247-F298 HydrophobicContact CD1-CZ 3.92Å; L247-F298 HydrophobicContact CG-CE1 4.24Å; D255-F298 HydrophobicContact CB-CB 3.97Å; D255-F298 HydrophobicContact CB-CD1 3.68Å; D255-F298 HydrophobicContact CB-CD2 4.15Å; D255-F298 HydrophobicContact CB-CE1 4.12Å; D255-F298 HydrophobicContact CB-CG 3.7Å; F280-F298 WeakPolarHBondContact CD1-O 3.36Å; F280-F298 VanDerWaalsContact CE1-O 3.27Å; F280-F298 WeakPolarHBondContact CE1-O 3.36Å; F298-A300 PolarHBondContact O-N 2.7Å
299	D	94.9	Very high	96	Very high	78 Å²	78	40 Å²	40	42%	0.417	22%	0.224	S	C	.	.			trans	-86.7	51.7	169.5	61.5	-21.7	0	0	0	111	H281 C293 N297 F301	H281-D299 HydrophobicContact CB-CB 4.18Å; C293-D299 PolarHBondContact SG-O 2.78Å; N297-D299 VanDerWaalsContact C-N 3.27Å; N297-D299 WeakPolarHBondContact CB-OD1 3.2Å; N297-D299 PolarHBondContact O-N 2.62Å; D299-F301 PolarHBondContact O-N 2.93Å
300	A	97.1	Very high	95.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.223	C	C	.	.			trans	-68.6	-14.7	-169.6	0	0	0	0	0	115.7	Q246 F280 K292 C293 S294 N297 F298	Q246-A300 HydrophobicContact CG-CB 4.28Å; F280-A300 HydrophobicContact CD1-CB 4.27Å; F280-A300 HydrophobicContact CE1-CB 3.85Å; F280-A300 HydrophobicContact CZ-CB 4.46Å; K292-A300 CarbonylContact C-O 3.2Å; K292-A300 WeakPolarHBondContact CA-O 3.4Å; C293-A300 PolarHBondContact N-O 3.3Å; C293-A300 PolarHBondContact SG-O 3.15Å; C293-A300 VanDerWaalsContact SG-O 3.36Å; S294-A300 PolarHBondContact N-O 3.41Å; N297-A300 WeakPolarHBondContact O-CB 3.46Å; N297-A300 PolarHBondContact O-N 2.92Å; F298-A300 PolarHBondContact O-N 2.7Å
301	F	97.9	Very high	95.8	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.6	-177.7	-68.3	-89.7	0	0	0	111.1	T219 L222 A223 F280 V291 K292 D299	T219-F301 HydrophobicContact CG2-CE2 4.08Å; T219-F301 VanDerWaalsContact O-CZ 3.31Å; T219-F301 WeakPolarHBondContact O-CZ 3.3Å; L222-F301 HydrophobicContact CB-CE1 4Å; L222-F301 HydrophobicContact CB-CZ 3.64Å; L222-F301 HydrophobicContact CD1-CE2 4.27Å; L222-F301 HydrophobicContact CD1-CZ 4.08Å; L222-F301 HydrophobicContact CD2-CD1 4.48Å; L222-F301 HydrophobicContact CD2-CE1 3.94Å; L222-F301 HydrophobicContact CD2-CZ 3.99Å; L222-F301 HydrophobicContact CG-CE1 4.46Å; L222-F301 HydrophobicContact CG-CZ 4.12Å; A223-F301 HydrophobicContact CB-CE1 4.4Å; F280-F301 HydrophobicContact CB-CB 4.32Å; F280-F301 HydrophobicContact CB-CD2 4.22Å; F280-F301 AromaticContact CD1-CD2 3.99Å; F280-F301 HydrophobicContact CD1-CD2 3.99Å; F280-F301 AromaticContact CD2-CD2 3.63Å; F280-F301 HydrophobicContact CD2-CD2 3.63Å; F280-F301 AromaticContact CD2-CE2 3.92Å; F280-F301 HydrophobicContact CD2-CE2 3.92Å; F280-F301 HydrophobicContact CE1-CD2 4.26Å; F280-F301 AromaticContact CE2-CD2 3.9Å; F280-F301 HydrophobicContact CE2-CD2 3.9Å; F280-F301 AromaticContact CE2-CE2 3.76Å; F280-F301 HydrophobicContact CE2-CE2 3.76Å; F280-F301 AromaticContact CG-CD2 3.67Å; F280-F301 HydrophobicContact CG-CD2 3.67Å; F280-F301 HydrophobicContact CG-CE2 4.38Å; F280-F301 HydrophobicContact CZ-CD2 4.22Å; F280-F301 HydrophobicContact CZ-CE2 4.11Å; V291-F301 WeakPolarHBondContact O-CA 3.46Å; K292-F301 HydrophobicContact CB-CD1 4.28Å; K292-F301 HydrophobicContact CB-CE1 3.9Å; K292-F301 HydrophobicContact CB-CZ 4.39Å; K292-F301 HydrophobicContact CG-CE1 4.29Å; K292-F301 HydrophobicContact CG-CZ 4.32Å; D299-F301 PolarHBondContact O-N 2.93Å
302	E	96.3	Very high	95.7	Very high	67 Å²	67	45.8 Å²	45.8	31%	0.313	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	159.3	176.4	-177.2	57.5	-87.2	0	0	109.6	F285 V290 V291 C293 W406	F285-E302 VanDerWaalsContact CE1-OE1 3.31Å; F285-E302 WeakPolarHBondContact CE1-OE1 3.2Å; V290-E302 WeakPolarHBondContact CA-O 3.42Å; V291-E302 WeakPolarHBondContact CG2-O 3.44Å; V291-E302 PolarHBondContact N-O 2.8Å; V291-E302 VanDerWaalsContact N-O 3.13Å; V291-E302 PolarHBondContact O-N 3.31Å; C293-E302 HydrophobicContact CB-CB 4.46Å; E302-W406 HydrophobicContact CB-CH2 4.28Å; E302-W406 HydrophobicContact CB-CZ2 3.85Å; E302-W406 HydrophobicContact CG-CZ2 4.12Å
303	S	97.2	Very high	95.4	Very high	8 Å²	8	46.3 Å²	46.3	6%	0.056	27%	0.271	C	S	.	.			trans	-111.2	96.7	169.5	-168	0	0	0	0	110.3	R289 N305 Y306	R289-S303 VanDerWaalsContact CB-OG 3.24Å; R289-S303 WeakPolarHBondContact CB-OG 3.28Å; R289-S303 WeakPolarHBondContact O-CA 3.28Å; R289-S303 PolarHBondContact O-OG 3.08Å; S303-N305 VanDerWaalsContact C-N 3.3Å; S303-N305 PolarHBondContact O-N 3.39Å; S303-Y306 WeakPolarHBondContact CB-O 3.42Å; S303-Y306 VanDerWaalsContact O-O 3.07Å; S303-Y306 PolarHBondContact OG-O 2.95Å; S303-Y306 VanDerWaalsContact OG-O 3.12Å
304	P	95.4	Very high	95.1	Very high	11 Å²	11	50.4 Å²	50.4	7%	0.071	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-29.8	-165.4	23.9	-34.4	0	0	0	113.7	V291 W406 R407	V291-P304 HydrophobicContact CG2-CG 3.72Å; P304-W406 HydrophobicContact CB-CZ2 4.34Å; P304-W406 WeakPolarHBondContact CB-O 3.36Å; P304-W406 WeakPolarHBondContact CG-O 3.34Å; P304-R407 HydrophobicContact CB-CB 4.32Å; P304-R407 HydrophobicContact CB-CG 4.43Å; P304-R407 WeakPolarHBondContact O-CG 3.14Å; P304-R407 PolarHBondContact O-NE 3.24Å
305	N	95.2	Very high	94.7	Very high	40 Å²	40	55.7 Å²	55.7	21%	0.214	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	3.4	-171.8	-62.8	-36.3	0	0	0	113.5	S303 G408 D430	S303-N305 VanDerWaalsContact C-N 3.3Å; S303-N305 PolarHBondContact O-N 3.39Å; N305-G408 PolarHBondContact ND2-O 2.7Å; N305-G408 PolarHBondContact OD1-N 3.5Å; N305-G408 PolarHBondContact OD1-O 2.97Å; N305-D430 HydrophobicContact CB-CB 4Å; N305-D430 PolarHBondContact ND2-O 2.86Å
306	Y	95.3	Very high	94.6	Very high	42 Å²	42	52.8 Å²	52.8	17%	0.165	29%	0.294	C	S	.	.	S	Bend	trans	-143.5	136.8	178.3	-156.8	-101.6	0	0	0	110.6	R286 R289 S303 L322	R286-Y306 VanDerWaalsContact NH1-CE1 3.32Å; R286-Y306 VanDerWaalsContact NH1-CZ 3.27Å; R286-Y306 PolarHBondContact NH1-OH 2.85Å; R289-Y306 HydrophobicContact CG-CG 4.44Å; S303-Y306 WeakPolarHBondContact CB-O 3.42Å; S303-Y306 VanDerWaalsContact O-O 3.07Å; S303-Y306 PolarHBondContact OG-O 2.95Å; S303-Y306 VanDerWaalsContact OG-O 3.12Å; Y306-L322 HydrophobicContact CE1-CB 4.09Å; Y306-L322 PolarHBondContact OH-O 2.89Å
307	P	94.8	Very high	94.6	Very high	77 Å²	77	51.1 Å²	51.1	50%	0.5	29%	0.288	S	S	.	.			trans	-67.7	161.9	-179.1	-14.2	27.8	0	0	0	112.8	L322	P307-L322 HydrophobicContact CB-CD1 3.79Å; P307-L322 HydrophobicContact CG-CD1 4.22Å
308	A	95.7	Very high	94.4	Very high	12 Å²	12	48.3 Å²	48.3	10%	0.099	27%	0.272	C	S	.	.			trans	-63.7	135.9	172.1	0	0	0	0	0	110.9	K283 L284 F285 A310 N319 L322	K283-A308 HydrophobicContact CB-CB 4.37Å; L284-A308 CarbonylContact O-C 3.55Å; L284-A308 WeakPolarHBondContact O-CA 3.31Å; F285-A308 HydrophobicContact CD1-CB 4.04Å; F285-A308 HydrophobicContact CE1-CB 4Å; A308-A310 VanDerWaalsContact C-N 3.35Å; A308-N319 PolarHBondContact O-ND2 3.45Å; A308-L322 WeakPolarHBondContact O-CD1 3.49Å
309	I	95.3	Very high	94	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-69.8	-37.2	177.3	-65.5	172.1	0	0	0	110.1	T277 L284 R286 N319 I323	T277-I309 HydrophobicContact CG2-CD1 4.07Å; L284-I309 HydrophobicContact CD2-CB 4.5Å; L284-I309 HydrophobicContact CD2-CG2 4.38Å; L284-I309 PolarHBondContact O-N 2.94Å; R286-I309 HydrophobicContact CB-CD1 3.99Å; I309-N319 PolarHBondContact O-N 3.28Å; I309-I323 HydrophobicContact CG2-CD1 4.36Å; I309-I323 HydrophobicContact CG2-CG1 3.84Å
310	A	96.1	Very high	93.6	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	153.5	178.1	0	0	0	0	0	112.3	L284 A308 T317 I318	L284-A310 HydrophobicContact CB-CB 3.83Å; L284-A310 HydrophobicContact CD2-CB 3.99Å; L284-A310 PolarHBondContact N-O 3.29Å; L284-A310 PolarHBondContact O-N 2.67Å; A308-A310 VanDerWaalsContact C-N 3.35Å; A310-T317 CarbonylContact C-O 3.52Å; A310-T317 WeakPolarHBondContact CA-O 3.43Å; A310-T317 VanDerWaalsContact CB-O 3.3Å; A310-T317 WeakPolarHBondContact CB-O 3.47Å; A310-I318 HydrophobicContact CB-CB 4.48Å; A310-I318 HydrophobicContact CB-CG1 3.89Å
311	E	96.6	Very high	92.9	Very high	106 Å²	106	51.7 Å²	51.7	50%	0.495	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.3	173.3	-63	-172.8	176.6	0	0	109.4	A282 G313 T317	A282-E311 WeakPolarHBondContact O-CA 3.46Å; E311-G313 PolarHBondContact O-N 3.47Å; E311-T317 PolarHBondContact N-O 3.29Å; E311-T317 PolarHBondContact O-N 2.89Å
312	L	95.4	Very high	92.5	Very high	34 Å²	34	52.6 Å²	52.6	18%	0.178	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	80.8	-177.2	-73.2	74	0	0	0	109.2	I266 L279 A282 I316	I266-L312 HydrophobicContact CD1-CD1 4.25Å; I266-L312 HydrophobicContact CG1-CD1 4.45Å; L279-L312 HydrophobicContact CD1-CD1 3.86Å; L279-L312 HydrophobicContact CD1-CD2 3.88Å; A282-L312 HydrophobicContact CB-CB 4.18Å; A282-L312 PolarHBondContact O-N 2.67Å; L312-I316 HydrophobicContact CD2-CD1 4.41Å; L312-I316 HydrophobicContact CG-CD1 4.25Å; L312-I316 HydrophobicContact CG-CG1 4.13Å; L312-I316 HydrophobicContact CG-CG2 4.45Å
313	G	91.4	Very high	92.3	Very high	62 Å²	62	49.8 Å²	49.8	64%	0.639	28%	0.282	S	S	*	.	S	Bend	trans	-92.3	-144.6	174.7	0	0	0	0	0	112.8	E311 E315	E311-G313 PolarHBondContact O-N 3.47Å; G313-E315 CarbonylContact C-O 3.52Å; G313-E315 WeakPolarHBondContact CA-O 3.24Å; G313-E315 PolarHBondContact N-O 3.13Å; G313-E315 PolarHBondContact O-N 3.03Å
314	T	89.1	Confident	92	Very high	147 Å²	147	51.8 Å²	51.8	90%	0.902	29%	0.29	S	S	*	.	S	Bend	trans	-60.4	-28	168	51.9	0	0	0	0	112.1
315	E	88.3	Confident	91.5	Very high	129 Å²	129	53.4 Å²	53.4	60%	0.603	29%	0.294	S	S	*	.	S	Bend	trans	-127.5	154.7	167.5	-56.8	-166.2	151.5	0	0	108.6	G313 T317	G313-E315 CarbonylContact C-O 3.52Å; G313-E315 WeakPolarHBondContact CA-O 3.24Å; G313-E315 PolarHBondContact N-O 3.13Å; G313-E315 PolarHBondContact O-N 3.03Å; E315-T317 PolarHBondContact O-N 3.1Å
316	I	92.3	Very high	90.7	Very high	36 Å²	36	55 Å²	55	19%	0.185	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	110.6	174.1	-59.5	-175.2	0	0	0	107.3	M265 I266 Y271 L312 I318	M265-I316 HydrophobicContact CB-CD1 4.32Å; M265-I316 HydrophobicContact CE-CD1 3.83Å; I266-I316 HydrophobicContact CD1-CD1 4.45Å; I266-I316 HydrophobicContact CD1-CG2 3.84Å; Y271-I316 HydrophobicContact CE2-CD1 4.31Å; Y271-I316 HydrophobicContact CE2-CG2 4.38Å; L312-I316 HydrophobicContact CD2-CD1 4.41Å; L312-I316 HydrophobicContact CG-CD1 4.25Å; L312-I316 HydrophobicContact CG-CG1 4.13Å; L312-I316 HydrophobicContact CG-CG2 4.45Å; I316-I318 HydrophobicContact CG2-CD1 4.47Å; I316-I318 HydrophobicContact CG2-CG1 4.17Å
317	T	91.4	Very high	89.6	Confident	83 Å²	83	58.2 Å²	58.2	51%	0.509	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.3	178.8	-58.2	0	0	0	0	109.2	A310 E311 E315	A310-T317 CarbonylContact C-O 3.52Å; A310-T317 WeakPolarHBondContact CA-O 3.43Å; A310-T317 VanDerWaalsContact CB-O 3.3Å; A310-T317 WeakPolarHBondContact CB-O 3.47Å; E311-T317 PolarHBondContact N-O 3.29Å; E311-T317 PolarHBondContact O-N 2.89Å; E315-T317 PolarHBondContact O-N 3.1Å
318	I	90.9	Very high	89.1	Confident	21 Å²	21	56 Å²	56	11%	0.108	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.9	-178.9	-57.3	173.8	0	0	0	109.7	Y271 I273 A310 I316 Y320 I323	Y271-I318 HydrophobicContact CD1-CD1 3.07Å; Y271-I318 HydrophobicContact CD1-CG1 4.46Å; Y271-I318 HydrophobicContact CD2-CD1 4.05Å; Y271-I318 HydrophobicContact CE1-CD1 3.63Å; Y271-I318 HydrophobicContact CG-CD1 3.29Å; I273-I318 HydrophobicContact CD1-CD1 4Å; I273-I318 HydrophobicContact CD1-CG2 4.37Å; I273-I318 HydrophobicContact CG1-CG2 4.4Å; A310-I318 HydrophobicContact CB-CB 4.48Å; A310-I318 HydrophobicContact CB-CG1 3.89Å; I316-I318 HydrophobicContact CG2-CD1 4.47Å; I316-I318 HydrophobicContact CG2-CG1 4.17Å; I318-Y320 HydrophobicContact CB-CD2 4.34Å; I318-Y320 HydrophobicContact CB-CE2 3.96Å; I318-Y320 HydrophobicContact CG2-CD1 4.17Å; I318-Y320 HydrophobicContact CG2-CD2 4.13Å; I318-Y320 HydrophobicContact CG2-CE1 4.03Å; I318-Y320 HydrophobicContact CG2-CE2 4.02Å; I318-Y320 HydrophobicContact CG2-CG 4.21Å; I318-Y320 PolarHBondContact O-N 2.91Å; I318-I323 HydrophobicContact CG2-CD1 4.22Å
319	N	88.3	Confident	88.7	Confident	56 Å²	56	58.9 Å²	58.9	30%	0.299	34%	0.337	S	S	.	.			trans	-90.6	83.6	175.8	-58.3	-43.5	0	0	0	109.1	A308 I309 D321 L322	A308-N319 PolarHBondContact O-ND2 3.45Å; I309-N319 PolarHBondContact O-N 3.28Å; N319-D321 VanDerWaalsContact C-OD1 3.27Å; N319-D321 PolarHBondContact O-N 2.93Å; N319-L322 HydrophobicContact CB-CB 4.23Å; N319-L322 HydrophobicContact CB-CD1 3.63Å; N319-L322 HydrophobicContact CB-CG 3.76Å; N319-L322 WeakPolarHBondContact O-CB 3.4Å; N319-L322 PolarHBondContact O-N 2.82Å
320	Y	86	Confident	88.3	Confident	49 Å²	49	61 Å²	61	19%	0.192	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-62.5	-22.5	-175.4	-74.2	-78.8	0	0	0	113.9	A272 I318 L322 I323 R325 Q548 F550	A272-Y320 HydrophobicContact CB-CE1 4Å; I318-Y320 HydrophobicContact CB-CD2 4.34Å; I318-Y320 HydrophobicContact CB-CE2 3.96Å; I318-Y320 HydrophobicContact CG2-CD1 4.17Å; I318-Y320 HydrophobicContact CG2-CD2 4.13Å; I318-Y320 HydrophobicContact CG2-CE1 4.03Å; I318-Y320 HydrophobicContact CG2-CE2 4.02Å; I318-Y320 HydrophobicContact CG2-CG 4.21Å; I318-Y320 PolarHBondContact O-N 2.91Å; Y320-L322 VanDerWaalsContact C-N 3.3Å; Y320-I323 HydrophobicContact CD1-CD1 3.67Å; Y320-I323 HydrophobicContact CE1-CD1 4.25Å; Y320-I323 HydrophobicContact CG-CD1 4.43Å; Y320-I323 PolarHBondContact O-N 3.07Å; Y320-R325 VanDerWaalsContact O-CZ 3.31Å; Y320-R325 PolarHBondContact O-NH1 3.27Å; Y320-R325 PolarHBondContact O-NH2 3.42Å; Y320-Q548 HydrophobicContact CD1-CG 4.27Å; Y320-F550 HydrophobicContact CD1-CE2 4.48Å; Y320-F550 AromaticContact CE1-CE2 3.95Å; Y320-F550 HydrophobicContact CE1-CE2 3.95Å; Y320-F550 HydrophobicContact CE1-CZ 4.25Å; Y320-F550 HydrophobicContact CE2-CE2 4.16Å; Y320-F550 AromaticContact CZ-CE2 3.75Å
321	D	82.1	Confident	87.9	Confident	99 Å²	99	68 Å²	68	53%	0.529	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-67.8	-28.9	173.1	61.1	-54.1	0	0	0	112.4	N319 I323	N319-D321 VanDerWaalsContact C-OD1 3.27Å; N319-D321 PolarHBondContact O-N 2.93Å; D321-I323 VanDerWaalsContact C-N 3.34Å
322	L	90.3	Very high	87.5	Confident	25 Å²	25	66.4 Å²	66.4	13%	0.131	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-80.8	-12	177.1	-58.8	-175.8	0	0	0	113.5	R286 Y306 P307 A308 N319 Y320 F324	R286-L322 PolarHBondContact NH2-O 3.26Å; Y306-L322 HydrophobicContact CE1-CB 4.09Å; Y306-L322 PolarHBondContact OH-O 2.89Å; P307-L322 HydrophobicContact CB-CD1 3.79Å; P307-L322 HydrophobicContact CG-CD1 4.22Å; A308-L322 WeakPolarHBondContact O-CD1 3.49Å; N319-L322 HydrophobicContact CB-CB 4.23Å; N319-L322 HydrophobicContact CB-CD1 3.63Å; N319-L322 HydrophobicContact CB-CG 3.76Å; N319-L322 WeakPolarHBondContact O-CB 3.4Å; N319-L322 PolarHBondContact O-N 2.82Å; Y320-L322 VanDerWaalsContact C-N 3.3Å; L322-F324 PolarHBondContact O-N 2.9Å
323	I	91.3	Very high	87.4	Confident	9 Å²	9	65.5 Å²	65.5	5%	0.046	37%	0.374	C	S	.	.	S	Bend	trans	-73.2	127.5	-179.2	-60.2	176.8	0	0	0	110	A272 I273 E275 I309 I318 Y320 D321 R325	A272-I323 WeakPolarHBondContact O-CD1 3.47Å; I273-I323 HydrophobicContact CG1-CD1 3.91Å; E275-I323 HydrophobicContact CG-CG2 4.35Å; E275-I323 VanDerWaalsContact OE1-CA 3.29Å; E275-I323 WeakPolarHBondContact OE1-CA 3.49Å; E275-I323 WeakPolarHBondContact OE1-CG2 3.47Å; I309-I323 HydrophobicContact CG2-CD1 4.36Å; I309-I323 HydrophobicContact CG2-CG1 3.84Å; I318-I323 HydrophobicContact CG2-CD1 4.22Å; Y320-I323 HydrophobicContact CD1-CD1 3.67Å; Y320-I323 HydrophobicContact CE1-CD1 4.25Å; Y320-I323 HydrophobicContact CG-CD1 4.43Å; Y320-I323 PolarHBondContact O-N 3.07Å; D321-I323 VanDerWaalsContact C-N 3.34Å; I323-R325 PolarHBondContact O-NH1 2.92Å
324	F	90.8	Very high	87.5	Confident	50 Å²	50	64.5 Å²	64.5	22%	0.219	36%	0.357	C	S	.	.			trans	-68.4	134.3	-178.3	-179.5	-103.7	0	0	0	110.2	E275 R286 L322 L463 G465	E275-F324 PolarHBondContact OE1-N 3.47Å; R286-F324 VanDerWaalsContact NH2-CB 3.33Å; L322-F324 PolarHBondContact O-N 2.9Å; F324-L463 WeakPolarHBondContact CE1-O 3.45Å; F324-G465 VanDerWaalsContact CD2-N 3.27Å; F324-G465 VanDerWaalsContact CE2-N 3.25Å
325	R	85.9	Confident	87.8	Confident	45 Å²	45	59.2 Å²	59.2	17%	0.17	32%	0.323	C	S	.	.			trans	-131.7	121.6	178.4	-65.5	177.1	-177	85.5	-1.9	108.3	Y320 I323 P327 C576	Y320-R325 VanDerWaalsContact O-CZ 3.31Å; Y320-R325 PolarHBondContact O-NH1 3.27Å; Y320-R325 PolarHBondContact O-NH2 3.42Å; I323-R325 PolarHBondContact O-NH1 2.92Å; R325-P327 WeakPolarHBondContact O-CD 3.46Å; R325-C576 WeakPolarHBondContact CD-O 3.46Å
326	T	78.2	Confident	88.1	Confident	74 Å²	74	55.2 Å²	55.2	45%	0.454	30%	0.304	S	S	.	.			trans	-68.2	126.6	175	-53	0	0	0	0	108.8
327	P	72.1	Confident	88.1	Confident	108 Å²	108	54.8 Å²	54.8	70%	0.701	30%	0.303	S	S	*	.	S	Bend	trans	-62.8	140.6	175.8	-22.4	33.2	0	0	0	112.1	R325	R325-P327 WeakPolarHBondContact O-CD 3.46Å
328	G	84.3	Confident	88.1	Confident	32 Å²	32	56.4 Å²	56.4	33%	0.33	31%	0.308	S	S	.	.	S	Bend	trans	93.3	-177	175.4	0	0	0	0	0	113	E575	G328-E575 PolarHBondContact N-O 2.78Å; G328-E575 WeakPolarHBondContact O-CA 3.35Å
329	L	86.8	Confident	88.3	Confident	72 Å²	72	56 Å²	56	38%	0.377	31%	0.306	S	S	.	.	S	Bend	trans	-67.4	128.2	-174.9	-163.8	71.4	0	0	0	110.1	K571 L574 E575 L607 V611	L329-K571 HydrophobicContact CD1-CG 4.48Å; L329-L574 HydrophobicContact CD1-CB 3.84Å; L329-L574 HydrophobicContact CD1-CD1 4.32Å; L329-E575 HydrophobicContact CB-CG 4.44Å; L329-E575 HydrophobicContact CD1-CG 4.39Å; L329-L607 HydrophobicContact CD1-CD1 4.2Å; L329-L607 HydrophobicContact CD2-CD1 4.04Å; L329-V611 HydrophobicContact CD1-CG1 3.7Å; L329-V611 HydrophobicContact CD2-CG1 4.11Å; L329-V611 HydrophobicContact CG-CG1 3.65Å
330	P	86.6	Confident	88.6	Confident	44 Å²	44	54.1 Å²	54.1	29%	0.286	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-60.4	147.3	177.4	-5.6	12.7	0	0	0	110.5	V611	P330-V611 HydrophobicContact CB-CB 4.15Å; P330-V611 HydrophobicContact CG-CB 4.02Å; P330-V611 HydrophobicContact CG-CG1 4.17Å; P330-V611 WeakPolarHBondContact O-CG1 3.27Å
331	K	87.9	Confident	89.1	Confident	148 Å²	148	58.9 Å²	58.9	64%	0.643	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-98.8	162.1	167.6	-68.9	179.4	-178.5	-177.3	0	109.3	N235	N235-K331 WeakPolarHBondContact CB-O 3.41Å; N235-K331 WeakPolarHBondContact ND2-CB 3.21Å
332	P	87.8	Confident	89.8	Confident	71 Å²	71	56.4 Å²	56.4	46%	0.461	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-57.7	148.5	173.3	-24.2	35.4	0	0	0	111.7	N235 C334 D610	N235-P332 PolarHBondContact ND2-O 2.87Å; P332-C334 PolarHBondContact O-N 3.01Å; P332-D610 WeakPolarHBondContact CD-O 3.33Å; P332-D610 VanDerWaalsContact CG-O 3.28Å; P332-D610 WeakPolarHBondContact CG-O 3.18Å
333	F	93	Very high	90.1	Very high	15 Å²	15	56.6 Å²	56.6	7%	0.066	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-57.2	129.6	176.1	176.5	-118.7	0	0	0	111.6	I203 Y204 Y207 L233 E234 L236 I335	I203-F333 HydrophobicContact CG2-CZ 4.22Å; Y204-F333 AromaticContact CD2-CD1 3.93Å; Y204-F333 HydrophobicContact CD2-CD1 3.93Å; Y204-F333 AromaticContact CD2-CE1 3.77Å; Y204-F333 HydrophobicContact CD2-CE1 3.77Å; Y204-F333 HydrophobicContact CE2-CD1 4.45Å; Y207-F333 HydrophobicContact CD1-CB 4.24Å; Y207-F333 AromaticContact CD1-CD1 3.47Å; Y207-F333 HydrophobicContact CD1-CD1 3.47Å; Y207-F333 VanDerWaalsContact CD1-CD1 3.47Å; Y207-F333 HydrophobicContact CD1-CE1 4.07Å; Y207-F333 HydrophobicContact CD1-CG 4.06Å; Y207-F333 AromaticContact CD2-CD1 3.53Å; Y207-F333 HydrophobicContact CD2-CD1 3.53Å; Y207-F333 AromaticContact CD2-CE1 3.25Å; Y207-F333 HydrophobicContact CD2-CE1 3.25Å; Y207-F333 HydrophobicContact CD2-CG 4.28Å; Y207-F333 AromaticContact CD2-CZ 3.84Å; Y207-F333 HydrophobicContact CD2-CZ 3.84Å; Y207-F333 HydrophobicContact CE1-CB 3.76Å; Y207-F333 AromaticContact CE1-CD1 3.66Å; Y207-F333 HydrophobicContact CE1-CD1 3.66Å; Y207-F333 HydrophobicContact CE1-CE1 4.38Å; Y207-F333 AromaticContact CE1-CG 3.76Å; Y207-F333 HydrophobicContact CE1-CG 3.76Å; Y207-F333 AromaticContact CE2-CD1 3.73Å; Y207-F333 HydrophobicContact CE2-CD1 3.73Å; Y207-F333 HydrophobicContact CE2-CD2 4.23Å; Y207-F333 AromaticContact CE2-CE1 3.65Å; Y207-F333 HydrophobicContact CE2-CE1 3.65Å; Y207-F333 HydrophobicContact CE2-CE2 4.19Å; Y207-F333 HydrophobicContact CE2-CG 4.01Å; Y207-F333 AromaticContact CE2-CZ 3.89Å; Y207-F333 HydrophobicContact CE2-CZ 3.89Å; Y207-F333 AromaticContact CG-CD1 3.38Å; Y207-F333 HydrophobicContact CG-CD1 3.38Å; Y207-F333 AromaticContact CG-CE1 3.48Å; Y207-F333 HydrophobicContact CG-CE1 3.48Å; Y207-F333 VanDerWaalsContact CG-CE1 3.48Å; Y207-F333 HydrophobicContact CG-CG 4.29Å; Y207-F333 HydrophobicContact CG-CZ 4.48Å; Y207-F333 AromaticContact CZ-CD1 3.77Å; Y207-F333 AromaticContact CZ-CG 3.72Å; L233-F333 HydrophobicContact CB-CE2 3.96Å; L233-F333 HydrophobicContact CB-CZ 4.41Å; L233-F333 HydrophobicContact CD2-CE2 4.43Å; L233-F333 HydrophobicContact CD2-CZ 4.06Å; E234-F333 VanDerWaalsContact O-CD2 3.25Å; E234-F333 WeakPolarHBondContact O-CD2 3.36Å; L236-F333 HydrophobicContact CB-CE2 4.47Å; L236-F333 HydrophobicContact CD1-CD2 4.41Å; L236-F333 HydrophobicContact CD1-CE2 3.85Å; L236-F333 HydrophobicContact CD1-CZ 4.33Å; F333-I335 HydrophobicContact CE1-CG2 4.35Å; F333-I335 HydrophobicContact CZ-CG2 3.99Å
334	C	93.4	Very high	90.4	Very high	41 Å²	41	57.3 Å²	57.3	28%	0.277	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	162.7	176.8	69.5	0	0	0	0	111.6	E234 P332	E234-C334 PolarHBondContact N-O 3.22Å; E234-C334 PolarHBondContact O-N 3.05Å; P332-C334 PolarHBondContact O-N 3.01Å
335	I	95.8	Very high	90.7	Very high	37 Å²	37	57.7 Å²	57.7	19%	0.19	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.9	-179.2	61.1	168.4	0	0	0	112.7	Q201 Y204 M232 L233 F333 T337	Q201-I335 HydrophobicContact CG-CD1 4.09Å; Y204-I335 HydrophobicContact CD1-CD1 3.97Å; Y204-I335 HydrophobicContact CD1-CG1 4.28Å; Y204-I335 HydrophobicContact CD2-CG1 4.24Å; Y204-I335 HydrophobicContact CD2-CG2 3.94Å; Y204-I335 HydrophobicContact CG-CD1 3.85Å; Y204-I335 HydrophobicContact CG-CG1 3.99Å; Y204-I335 HydrophobicContact CG-CG2 4.05Å; M232-I335 CarbonylContact O-C 3.49Å; M232-I335 VanDerWaalsContact O-CA 3.26Å; M232-I335 WeakPolarHBondContact O-CA 3.36Å; L233-I335 HydrophobicContact CD2-CG2 3.78Å; F333-I335 HydrophobicContact CE1-CG2 4.35Å; F333-I335 HydrophobicContact CZ-CG2 3.99Å; I335-T337 HydrophobicContact CD1-CG2 3.62Å; I335-T337 HydrophobicContact CG1-CG2 4.16Å
336	H	95.1	Very high	91.3	Very high	44 Å²	44	56.1 Å²	56.1	20%	0.204	32%	0.316	C	S	.	.			trans	-115.4	95.8	173.4	-63.2	-83.1	0	0	0	109.9	M232 E234 Y442 K446	M232-H336 WeakPolarHBondContact CE-O 3.3Å; M232-H336 WeakPolarHBondContact CG-O 3.25Å; M232-H336 PolarHBondContact O-N 3.31Å; E234-H336 IonicContact OE2-CD2 3.28Å; E234-H336 IonicContact OE2-CE1 2.69Å; E234-H336 IonicContact OE2-NE2 3.94Å; E234-H336 PolarHBondContact OE2-NE2 3.03Å; H336-Y442 HydrophobicContact CB-CD2 4.38Å; H336-Y442 HydrophobicContact CB-CE2 4.03Å; H336-Y442 AromaticContact CD2-CE2 3.71Å; H336-Y442 AromaticContact CG-CE2 3.72Å; H336-K446 PolarHBondContact CE1-NZ 3.39Å; H336-K446 PolarHBondContact ND1-NZ 2.99Å; H336-K446 PolarHBondContact NE2-NZ 2.92Å; H336-K446 VanDerWaalsContact NE2-NZ 3.15Å
337	T	92.7	Very high	92.1	Very high	28 Å²	28	56 Å²	56	17%	0.172	31%	0.313	C	S	.	.			trans	-87.7	-7.2	-172.7	57.6	0	0	0	0	115	M193 K197 Q201 I335	M193-T337 WeakPolarHBondContact CE-O 3.46Å; K197-T337 HydrophobicContact CG-CG2 4.08Å; Q201-T337 HydrophobicContact CG-CG2 3.91Å; I335-T337 HydrophobicContact CD1-CG2 3.62Å; I335-T337 HydrophobicContact CG1-CG2 4.16Å
338	N	91	Very high	93.3	Very high	116 Å²	116	51 Å²	51	62%	0.62	28%	0.28	S	S	*	.			trans	-121.3	80.2	-174.1	-62.3	-28.6	0	0	0	109.6	S445	N338-S445 WeakPolarHBondContact O-CB 3.41Å; N338-S445 PolarHBondContact O-OG 3.05Å
339	L	94.9	Very high	93.8	Very high	12 Å²	12	53.5 Å²	53.5	6%	0.063	28%	0.282	C	S	.	.			trans	-77.6	151.9	171.9	-56.1	178	0	0	0	110.1	M193 W196 A228 M232 Q341 A441 Y442	M193-L339 HydrophobicContact CE-CB 3.81Å; M193-L339 HydrophobicContact CE-CD1 4.06Å; M193-L339 HydrophobicContact CE-CG 3.64Å; M193-L339 HydrophobicContact SD-CB 3.72Å; M193-L339 HydrophobicContact SD-CD1 3.92Å; M193-L339 HydrophobicContact SD-CG 3.94Å; W196-L339 HydrophobicContact CE3-CD1 4.39Å; A228-L339 HydrophobicContact CB-CD1 4.48Å; M232-L339 HydrophobicContact CG-CD1 3.88Å; M232-L339 HydrophobicContact CG-CD2 4.14Å; M232-L339 HydrophobicContact CG-CG 4.17Å; M232-L339 HydrophobicContact SD-CD1 3.93Å; M232-L339 HydrophobicContact SD-CG 4.48Å; L339-Q341 PolarHBondContact O-N 3.38Å; L339-A441 HydrophobicContact CB-CB 4.05Å; L339-Y442 HydrophobicContact CD2-CD2 3.97Å; L339-Y442 HydrophobicContact CD2-CG 4.47Å
340	C	95.5	Very high	94.2	Very high	17 Å²	17	55.5 Å²	55.5	12%	0.115	30%	0.299	C	S	.	.			trans	-70.1	121.7	176	-176.6	0	0	0	0	110.3	A441 L444	C340-A441 WeakPolarHBondContact CB-O 3.45Å; C340-A441 PolarHBondContact N-O 3.48Å; C340-A441 VanDerWaalsContact O-CB 3.31Å; C340-A441 WeakPolarHBondContact O-CB 3.33Å; C340-L444 HydrophobicContact CB-CB 3.48Å; C340-L444 VanDerWaalsContact CB-CB 3.48Å; C340-L444 HydrophobicContact CB-CD1 4.36Å
341	Q	95.5	Very high	94.6	Very high	150 Å²	150	60.6 Å²	60.6	70%	0.701	32%	0.323	S	S	*	.			trans	-85	-13.7	177.9	-63.6	-177.6	54.5	0	0	112.9	L339 V343	L339-Q341 PolarHBondContact O-N 3.38Å; Q341-V343 PolarHBondContact O-N 3.02Å
342	D	96.7	Very high	94.9	Very high	46 Å²	46	54 Å²	54	25%	0.246	30%	0.295	C	S	.	.			trans	-80.7	46.5	-179.1	-52	-48.2	0	0	0	112	P364 K366 G367	D342-P364 WeakPolarHBondContact CB-O 3.47Å; D342-K366 HydrophobicContact CB-CB 4.24Å; D342-K366 HydrophobicContact CB-CD 4.11Å; D342-K366 HydrophobicContact CB-CG 4.09Å; D342-K366 PolarHBondContact O-N 2.81Å; D342-K366 WeakPolarHBondContact OD2-CE 3.44Å; D342-K366 IonicContact OD2-NZ 2.65Å; D342-K366 PolarHBondContact OD2-NZ 2.83Å; D342-G367 PolarHBondContact O-N 3.3Å
343	V	97.2	Very high	95.3	Very high	30 Å²	30	52.1 Å²	52.1	18%	0.182	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147	179.1	-66.7	0	0	0	0	111.2	Q341 G367 L437 L440 A441 L444	Q341-V343 PolarHBondContact O-N 3.02Å; V343-G367 VanDerWaalsContact CA-O 3.28Å; V343-G367 WeakPolarHBondContact CA-O 3.26Å; V343-L437 HydrophobicContact CB-CD1 3.94Å; V343-L437 HydrophobicContact CG2-CD1 3.63Å; V343-L437 HydrophobicContact CG2-CG 4.31Å; V343-L440 HydrophobicContact CG1-CD2 4.28Å; V343-L440 HydrophobicContact CG1-CG 4.03Å; V343-A441 HydrophobicContact CG1-CB 4.34Å; V343-A441 HydrophobicContact CG2-CB 4.15Å; V343-L444 HydrophobicContact CG1-CD1 3.53Å
344	A	97.2	Very high	95.5	Very high	23 Å²	23	54.5 Å²	54.5	19%	0.19	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	163.1	-178.9	0	0	0	0	0	112.9	I365 G367 V368 V369	A344-I365 HydrophobicContact CB-CD1 4.1Å; A344-G367 PolarHBondContact N-O 3.45Å; A344-V368 HydrophobicContact CB-CG2 4.44Å; A344-V368 CarbonylContact O-C 3.56Å; A344-V368 WeakPolarHBondContact O-CA 3.42Å; A344-V369 PolarHBondContact O-N 3.49Å
345	I	97.6	Very high	95.6	Very high	59 Å²	59	58.5 Å²	58.5	30%	0.303	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.9	167.4	-60.7	168.6	0	0	0	107.7	Y224 V369 R371 T433 L437	Y224-I345 HydrophobicContact CE1-CD1 4.46Å; I345-V369 WeakPolarHBondContact CA-O 3.46Å; I345-V369 HydrophobicContact CG1-CB 4.33Å; I345-R371 HydrophobicContact CG2-CG 3.92Å; I345-T433 HydrophobicContact CD1-CG2 3.57Å; I345-T433 HydrophobicContact CG1-CG2 4.18Å; I345-T433 HydrophobicContact CG2-CG2 4.18Å; I345-L437 HydrophobicContact CD1-CD2 3.99Å; I345-L437 HydrophobicContact CG1-CD1 4Å; I345-L437 HydrophobicContact CG1-CD2 4.34Å
346	L	97.4	Very high	95.6	Very high	11 Å²	11	61.1 Å²	61.1	6%	0.058	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	113.2	175.4	176.9	58.8	0	0	0	110.2	I348 I352 I357 M360 V368 V369 L370 R371	L346-I348 HydrophobicContact CG-CD1 4.48Å; L346-I352 HydrophobicContact CD1-CD1 4.17Å; L346-I357 HydrophobicContact CD2-CG1 4.3Å; L346-M360 HydrophobicContact CD1-CB 4.45Å; L346-M360 HydrophobicContact CD1-CG 4.09Å; L346-V368 HydrophobicContact CB-CG2 3.77Å; L346-V369 PolarHBondContact N-O 3.24Å; L346-L370 HydrophobicContact CB-CD2 3.97Å; L346-L370 HydrophobicContact CD2-CD2 3.77Å; L346-L370 HydrophobicContact CG-CD2 4.19Å; L346-R371 PolarHBondContact O-N 3.45Å
347	N	96.8	Very high	95.7	Very high	73 Å²	73	59 Å²	59	39%	0.39	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	125.2	171.5	-68.4	-34.4	0	0	0	110	F349 R371	N347-F349 VanDerWaalsContact O-CD1 3.3Å; N347-F349 WeakPolarHBondContact O-CD1 3.31Å; N347-R371 WeakPolarHBondContact OD1-CB 3.44Å; N347-R371 WeakPolarHBondContact OD1-CD 3.27Å; N347-R371 PolarHBondContact OD1-NH1 3.45Å
348	I	95.3	Very high	95.9	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.015	32%	0.317	C	S	.	.			trans	-77.4	129.1	167.9	-55.2	-53.8	0	0	0	108.7	L346 I352 R371 T372 Y373 I378 Q404	L346-I348 HydrophobicContact CG-CD1 4.48Å; I348-I352 HydrophobicContact CD1-CD1 3.89Å; I348-I352 HydrophobicContact CG2-CG2 4.31Å; I348-R371 WeakPolarHBondContact CB-O 3.41Å; I348-R371 WeakPolarHBondContact CG1-O 3.44Å; I348-R371 PolarHBondContact N-O 3.19Å; I348-T372 HydrophobicContact CG1-CG2 4.03Å; I348-Y373 HydrophobicContact CG2-CE1 4.32Å; I348-Y373 HydrophobicContact CG2-CE2 3.75Å; I348-Y373 WeakPolarHBondContact O-CE1 3.45Å; I348-I378 HydrophobicContact CD1-CD1 4.1Å; I348-I378 HydrophobicContact CG1-CD1 4.47Å; I348-I378 HydrophobicContact CG2-CG1 4.22Å; I348-Q404 PolarHBondContact O-NE2 2.91Å
349	F	96.1	Very high	96.1	Very high	83 Å²	83	59.1 Å²	59.1	36%	0.364	32%	0.315	S	S	.	.			trans	-136.6	156.8	175.9	55.6	-90	0	0	0	110	N347 L351 I352 Y373	N347-F349 VanDerWaalsContact O-CD1 3.3Å; N347-F349 WeakPolarHBondContact O-CD1 3.31Å; F349-L351 HydrophobicContact CD2-CB 4.1Å; F349-L351 HydrophobicContact CE2-CB 4.14Å; F349-L351 PolarHBondContact O-N 2.88Å; F349-I352 HydrophobicContact CD1-CB 4.35Å; F349-I352 HydrophobicContact CD2-CB 4.24Å; F349-I352 HydrophobicContact CE1-CB 4.13Å; F349-I352 HydrophobicContact CE1-CD1 4.25Å; F349-I352 HydrophobicContact CE1-CG1 4.09Å; F349-I352 HydrophobicContact CE2-CB 4.03Å; F349-I352 VanDerWaalsContact CE2-N 3.34Å; F349-I352 HydrophobicContact CG-CB 4.4Å; F349-I352 HydrophobicContact CZ-CB 3.96Å; F349-I352 HydrophobicContact CZ-CG1 4.07Å; F349-I352 WeakPolarHBondContact O-CB 3.38Å; F349-I352 VanDerWaalsContact O-CG2 3.24Å; F349-I352 WeakPolarHBondContact O-CG2 3.36Å; F349-I352 PolarHBondContact O-N 3.09Å; F349-Y373 WeakPolarHBondContact CA-OH 2.94Å; F349-Y373 PolarHBondContact N-OH 2.84Å; F349-Y373 PolarHBondContact O-OH 2.91Å
350	P	94.3	Very high	96.1	Very high	114 Å²	114	63.1 Å²	63.1	74%	0.74	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.3	-165.3	-31	37.3	0	0	0	115.1	Y373	P350-Y373 WeakPolarHBondContact CA-OH 3.44Å; P350-Y373 WeakPolarHBondContact CD-OH 3.37Å
351	L	95.2	Very high	96.2	Very high	151 Å²	151	62.3 Å²	62.3	79%	0.791	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	9.4	179.7	-62.8	175.3	0	0	0	114	F349 S353	F349-L351 HydrophobicContact CD2-CB 4.1Å; F349-L351 HydrophobicContact CE2-CB 4.14Å; F349-L351 PolarHBondContact O-N 2.88Å; L351-S353 PolarHBondContact O-N 3.48Å
352	I	95.2	Very high	96.2	Very high	11 Å²	11	57 Å²	57	6%	0.056	31%	0.311	C	S	.	.			trans	-61.6	132.5	-179.8	-163.2	169.8	0	0	0	110.3	L346 I348 F349 H356 I357 L385	L346-I352 HydrophobicContact CD1-CD1 4.17Å; I348-I352 HydrophobicContact CD1-CD1 3.89Å; I348-I352 HydrophobicContact CG2-CG2 4.31Å; F349-I352 HydrophobicContact CD1-CB 4.35Å; F349-I352 HydrophobicContact CD2-CB 4.24Å; F349-I352 HydrophobicContact CE1-CB 4.13Å; F349-I352 HydrophobicContact CE1-CD1 4.25Å; F349-I352 HydrophobicContact CE1-CG1 4.09Å; F349-I352 HydrophobicContact CE2-CB 4.03Å; F349-I352 VanDerWaalsContact CE2-N 3.34Å; F349-I352 HydrophobicContact CG-CB 4.4Å; F349-I352 HydrophobicContact CZ-CB 3.96Å; F349-I352 HydrophobicContact CZ-CG1 4.07Å; F349-I352 WeakPolarHBondContact O-CB 3.38Å; F349-I352 VanDerWaalsContact O-CG2 3.24Å; F349-I352 WeakPolarHBondContact O-CG2 3.36Å; F349-I352 PolarHBondContact O-N 3.09Å; I352-H356 HydrophobicContact CG1-CB 3.94Å; I352-I357 HydrophobicContact CD1-CG1 4.05Å; I352-I357 HydrophobicContact CG1-CG1 4.39Å; I352-L385 HydrophobicContact CG2-CD1 4.2Å
353	S	95.5	Very high	96.1	Very high	30 Å²	30	60.2 Å²	60.2	21%	0.21	34%	0.335	C	S	.	.			trans	-104.4	164.8	177.3	86.2	0	0	0	0	111.5	L351 E355 H356 I357	L351-S353 PolarHBondContact O-N 3.48Å; S353-E355 VanDerWaalsContact CB-OE2 3.25Å; S353-E355 WeakPolarHBondContact CB-OE2 3.42Å; S353-E355 PolarHBondContact O-N 2.94Å; S353-E355 PolarHBondContact OG-N 3.02Å; S353-E355 PolarHBondContact OG-OE2 2.85Å; S353-H356 WeakPolarHBondContact CB-ND1 3.36Å; S353-H356 PolarHBondContact N-ND1 3.39Å; S353-H356 VanDerWaalsContact N-ND1 3.18Å; S353-H356 WeakPolarHBondContact O-CB 3.17Å; S353-H356 PolarHBondContact O-N 3.01Å; S353-H356 PolarHBondContact OG-N 2.84Å; S353-H356 PolarHBondContact OG-ND1 2.77Å; S353-I357 PolarHBondContact O-N 2.6Å
354	K	96.4	Very high	96.1	Very high	65 Å²	65	63.1 Å²	63.1	28%	0.283	35%	0.354	S	S	.	.	H	α-helix	trans	-55.9	-40.2	172.7	173.2	173.7	176.2	172.7	0	111.8	H356 I357 I358 D384 L385 A388	K354-H356 VanDerWaalsContact C-N 3.3Å; K354-H356 PolarHBondContact O-N 3.22Å; K354-I357 PolarHBondContact O-N 2.94Å; K354-I358 HydrophobicContact CD-CD1 4.28Å; K354-I358 HydrophobicContact CG-CD1 3.76Å; K354-I358 HydrophobicContact CG-CG1 4.31Å; K354-I358 WeakPolarHBondContact O-CG1 3.43Å; K354-I358 PolarHBondContact O-N 3.12Å; K354-D384 HydrophobicContact CD-CB 4.16Å; K354-L385 HydrophobicContact CB-CD2 4.31Å; K354-A388 HydrophobicContact CG-CB 4.21Å
355	E	96.8	Very high	96.1	Very high	126 Å²	126	63.8 Å²	63.8	59%	0.589	35%	0.354	S	S	*	.	H	α-helix	trans	-64.6	-35	-179.3	-60.6	67.7	-143.9	0	0	111.8	S353 I358 S359	S353-E355 VanDerWaalsContact CB-OE2 3.25Å; S353-E355 WeakPolarHBondContact CB-OE2 3.42Å; S353-E355 PolarHBondContact O-N 2.94Å; S353-E355 PolarHBondContact OG-N 3.02Å; S353-E355 PolarHBondContact OG-OE2 2.85Å; E355-I358 PolarHBondContact O-N 2.88Å; E355-S359 VanDerWaalsContact O-CB 3.25Å; E355-S359 WeakPolarHBondContact O-CB 3.32Å; E355-S359 PolarHBondContact O-N 3.15Å
356	H	95.4	Very high	96	Very high	91 Å²	91	65.9 Å²	65.9	42%	0.421	36%	0.361	S	S	.	.	H	α-helix	trans	-61.3	-46.9	173.1	-68.2	96.6	0	0	0	111.2	I352 S353 K354 M360	I352-H356 HydrophobicContact CG1-CB 3.94Å; S353-H356 WeakPolarHBondContact CB-ND1 3.36Å; S353-H356 PolarHBondContact N-ND1 3.39Å; S353-H356 VanDerWaalsContact N-ND1 3.18Å; S353-H356 WeakPolarHBondContact O-CB 3.17Å; S353-H356 PolarHBondContact O-N 3.01Å; S353-H356 PolarHBondContact OG-N 2.84Å; S353-H356 PolarHBondContact OG-ND1 2.77Å; K354-H356 VanDerWaalsContact C-N 3.3Å; K354-H356 PolarHBondContact O-N 3.22Å; H356-M360 WeakPolarHBondContact O-CB 3.2Å; H356-M360 VanDerWaalsContact O-CG 3.22Å; H356-M360 WeakPolarHBondContact O-CG 3.47Å; H356-M360 PolarHBondContact O-N 3.26Å
357	I	96.2	Very high	96	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-63.2	-49.1	178.6	-60.8	-176.5	0	0	0	110.3	L346 I352 S353 K354 S359 M360 L361 L385 A388 L389	L346-I357 HydrophobicContact CD2-CG1 4.3Å; I352-I357 HydrophobicContact CD1-CG1 4.05Å; I352-I357 HydrophobicContact CG1-CG1 4.39Å; S353-I357 PolarHBondContact O-N 2.6Å; K354-I357 PolarHBondContact O-N 2.94Å; I357-S359 PolarHBondContact O-N 2.86Å; I357-M360 PolarHBondContact O-N 2.83Å; I357-L361 HydrophobicContact CG2-CD1 3.67Å; I357-L361 HydrophobicContact CG2-CG 4.33Å; I357-L361 WeakPolarHBondContact O-CB 3.37Å; I357-L361 VanDerWaalsContact O-CG 3.29Å; I357-L361 WeakPolarHBondContact O-CG 3.34Å; I357-L361 PolarHBondContact O-N 3.32Å; I357-L385 HydrophobicContact CD1-CB 4.07Å; I357-L385 HydrophobicContact CD1-CD2 3.76Å; I357-L385 HydrophobicContact CD1-CG 4.39Å; I357-A388 HydrophobicContact CB-CB 4.4Å; I357-A388 HydrophobicContact CG2-CB 4.02Å; I357-L389 HydrophobicContact CG2-CD2 4Å
358	I	96.8	Very high	96.1	Very high	64 Å²	64	61.9 Å²	61.9	33%	0.328	34%	0.34	S	S	.	.	H	α-helix	trans	-60.1	-45.9	-179.6	-69	176.1	0	0	0	111.1	K354 E355 M360 L361 A362 A388	K354-I358 HydrophobicContact CD-CD1 4.28Å; K354-I358 HydrophobicContact CG-CD1 3.76Å; K354-I358 HydrophobicContact CG-CG1 4.31Å; K354-I358 WeakPolarHBondContact O-CG1 3.43Å; K354-I358 PolarHBondContact O-N 3.12Å; E355-I358 PolarHBondContact O-N 2.88Å; I358-M360 VanDerWaalsContact C-N 3.34Å; I358-M360 PolarHBondContact O-N 3.27Å; I358-L361 CarbonylContact O-C 3.57Å; I358-L361 PolarHBondContact O-N 3.19Å; I358-A362 PolarHBondContact O-N 2.99Å; I358-A388 HydrophobicContact CG1-CB 4.17Å
359	S	96.6	Very high	96.3	Very high	83 Å²	83	61.8 Å²	61.8	58%	0.58	34%	0.339	S	S	*	.	H	α-helix	trans	-64.8	-38.4	-179.5	-174.5	0	0	0	0	112.3	E355 I357 L361	E355-S359 VanDerWaalsContact O-CB 3.25Å; E355-S359 WeakPolarHBondContact O-CB 3.32Å; E355-S359 PolarHBondContact O-N 3.15Å; I357-S359 PolarHBondContact O-N 2.86Å; S359-L361 VanDerWaalsContact C-N 3.34Å
360	M	94.8	Very high	96.3	Very high	95 Å²	95	57.9 Å²	57.9	47%	0.468	32%	0.322	S	S	.	.	H	α-helix	trans	-73.8	-25.6	178.6	-72.2	-74.9	111.4	0	0	112.7	L346 H356 I357 I358	L346-M360 HydrophobicContact CD1-CB 4.45Å; L346-M360 HydrophobicContact CD1-CG 4.09Å; H356-M360 WeakPolarHBondContact O-CB 3.2Å; H356-M360 VanDerWaalsContact O-CG 3.22Å; H356-M360 WeakPolarHBondContact O-CG 3.47Å; H356-M360 PolarHBondContact O-N 3.26Å; I357-M360 PolarHBondContact O-N 2.83Å; I358-M360 VanDerWaalsContact C-N 3.34Å; I358-M360 PolarHBondContact O-N 3.27Å
361	L	96.2	Very high	96.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	18.1	-179.8	-55.4	-177.5	0	0	0	113	I357 I358 S359 V368 L389 A392 R395 I397 M399	I357-L361 HydrophobicContact CG2-CD1 3.67Å; I357-L361 HydrophobicContact CG2-CG 4.33Å; I357-L361 WeakPolarHBondContact O-CB 3.37Å; I357-L361 VanDerWaalsContact O-CG 3.29Å; I357-L361 WeakPolarHBondContact O-CG 3.34Å; I357-L361 PolarHBondContact O-N 3.32Å; I358-L361 CarbonylContact O-C 3.57Å; I358-L361 PolarHBondContact O-N 3.19Å; S359-L361 VanDerWaalsContact C-N 3.34Å; L361-V368 HydrophobicContact CD2-CB 3.64Å; L361-V368 HydrophobicContact CD2-CG1 3.44Å; L361-V368 VanDerWaalsContact CD2-CG1 3.44Å; L361-V368 HydrophobicContact CD2-CG2 3.95Å; L361-L389 HydrophobicContact CD1-CD2 4.22Å; L361-A392 HydrophobicContact CB-CB 4.28Å; L361-A392 HydrophobicContact CD1-CB 3.61Å; L361-R395 PolarHBondContact O-NH2 3.22Å; L361-I397 HydrophobicContact CB-CD1 4.04Å; L361-I397 WeakPolarHBondContact O-CD1 3.03Å; L361-M399 HydrophobicContact CD1-SD 4.47Å
362	A	95.7	Very high	96.5	Very high	39 Å²	39	48.4 Å²	48.4	32%	0.322	26%	0.261	S	S	.	.			trans	-73.3	154.4	171.8	0	0	0	0	0	110.5	I358 I365	I358-A362 PolarHBondContact O-N 2.99Å; A362-I365 WeakPolarHBondContact O-CB 3.47Å; A362-I365 WeakPolarHBondContact O-CG1 3.46Å; A362-I365 PolarHBondContact O-N 3.08Å
363	P	96	Very high	96.4	Very high	114 Å²	114	50.7 Å²	50.7	74%	0.74	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	141.6	170.7	-26.5	35.4	0	0	0	111.7
364	P	96.3	Very high	96.2	Very high	90 Å²	90	50.9 Å²	50.9	58%	0.584	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.6	8.4	15.6	36.5	-36.9	0	0	0	115.7	D342 K366	D342-P364 WeakPolarHBondContact CB-O 3.47Å; P364-K366 PolarHBondContact O-N 2.97Å
365	I	97.3	Very high	95.8	Very high	37 Å²	37	49 Å²	49	19%	0.19	27%	0.272	C	S	.	.			trans	-56.6	127.6	-173.3	-62	-59.2	0	0	0	112.4	A344 A362 G367 I397	A344-I365 HydrophobicContact CB-CD1 4.1Å; A362-I365 WeakPolarHBondContact O-CB 3.47Å; A362-I365 WeakPolarHBondContact O-CG1 3.46Å; A362-I365 PolarHBondContact O-N 3.08Å; I365-G367 WeakPolarHBondContact CG2-O 3.29Å; I365-I397 HydrophobicContact CG2-CG2 4.47Å
366	K	96.4	Very high	95.5	Very high	104 Å²	104	43 Å²	43	45%	0.452	24%	0.244	S	C	.	.			trans	-109.9	-18.9	178.8	-68.8	172.3	-174.9	147.8	0	113	D342 P364 I397 L398 L444	D342-K366 HydrophobicContact CB-CB 4.24Å; D342-K366 HydrophobicContact CB-CD 4.11Å; D342-K366 HydrophobicContact CB-CG 4.09Å; D342-K366 PolarHBondContact O-N 2.81Å; D342-K366 WeakPolarHBondContact OD2-CE 3.44Å; D342-K366 IonicContact OD2-NZ 2.65Å; D342-K366 PolarHBondContact OD2-NZ 2.83Å; P364-K366 PolarHBondContact O-N 2.97Å; K366-I397 WeakPolarHBondContact O-CA 3.14Å; K366-L398 PolarHBondContact O-N 3.05Å; K366-L444 HydrophobicContact CB-CD1 3.96Å; K366-L444 HydrophobicContact CB-CD2 4.02Å
367	G	97.5	Very high	95.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	154.5	172.4	0	0	0	0	0	114	D342 V343 A344 I365 L398	D342-G367 PolarHBondContact O-N 3.3Å; V343-G367 VanDerWaalsContact CA-O 3.28Å; V343-G367 WeakPolarHBondContact CA-O 3.26Å; A344-G367 PolarHBondContact N-O 3.45Å; I365-G367 WeakPolarHBondContact CG2-O 3.29Å; G367-L398 CarbonylContact C-O 3.49Å; G367-L398 WeakPolarHBondContact CA-O 3.47Å
368	V	98.3	Very high	95	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.7	176.8	60.9	0	0	0	0	112.1	A344 L346 L361 L370 I397 L398 M399 V400 L440	A344-V368 HydrophobicContact CB-CG2 4.44Å; A344-V368 CarbonylContact O-C 3.56Å; A344-V368 WeakPolarHBondContact O-CA 3.42Å; L346-V368 HydrophobicContact CB-CG2 3.77Å; L361-V368 HydrophobicContact CD2-CB 3.64Å; L361-V368 HydrophobicContact CD2-CG1 3.44Å; L361-V368 VanDerWaalsContact CD2-CG1 3.44Å; L361-V368 HydrophobicContact CD2-CG2 3.95Å; V368-L370 HydrophobicContact CG1-CD2 4.09Å; V368-L370 HydrophobicContact CG1-CG 4.29Å; V368-L370 HydrophobicContact CG2-CD2 3.99Å; V368-I397 HydrophobicContact CG1-CG2 4.38Å; V368-L398 PolarHBondContact N-O 3.3Å; V368-M399 HydrophobicContact CG1-CB 4.12Å; V368-M399 HydrophobicContact CG1-CG 3.56Å; V368-M399 HydrophobicContact CG1-SD 4.36Å; V368-M399 WeakPolarHBondContact O-CA 3.32Å; V368-V400 PolarHBondContact O-N 3.26Å; V368-L440 VanDerWaalsContact N-CD2 3.35Å
369	V	98.2	Very high	94.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	110.3	164.2	179.9	0	0	0	0	108.3	A344 I345 L346 R371 V400 V402 A436 L437 L440	A344-V369 PolarHBondContact O-N 3.49Å; I345-V369 WeakPolarHBondContact CA-O 3.46Å; I345-V369 HydrophobicContact CG1-CB 4.33Å; L346-V369 PolarHBondContact N-O 3.24Å; V369-R371 HydrophobicContact CG1-CG 4.4Å; V369-V400 CarbonylContact C-O 3.56Å; V369-V400 WeakPolarHBondContact CA-O 3.3Å; V369-V402 HydrophobicContact CG1-CB 4.45Å; V369-V402 HydrophobicContact CG1-CG1 4.17Å; V369-V402 HydrophobicContact CG1-CG2 3.46Å; V369-V402 VanDerWaalsContact CG1-CG2 3.46Å; V369-A436 HydrophobicContact CG1-CB 4Å; V369-A436 HydrophobicContact CG2-CB 3.92Å; V369-L437 HydrophobicContact CG2-CB 4.23Å; V369-L437 HydrophobicContact CG2-CD1 4.4Å; V369-L440 HydrophobicContact CG2-CD2 4.27Å
370	L	97.3	Very high	94.1	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	112.8	175	-61.3	179.3	0	0	0	109.1	L346 V368 T372 L389 M399 V400 N401 V402 V425	L346-L370 HydrophobicContact CB-CD2 3.97Å; L346-L370 HydrophobicContact CD2-CD2 3.77Å; L346-L370 HydrophobicContact CG-CD2 4.19Å; V368-L370 HydrophobicContact CG1-CD2 4.09Å; V368-L370 HydrophobicContact CG1-CG 4.29Å; V368-L370 HydrophobicContact CG2-CD2 3.99Å; L370-T372 HydrophobicContact CB-CG2 4.36Å; L370-L389 HydrophobicContact CD1-CD1 4.36Å; L370-L389 HydrophobicContact CD1-CD2 3.85Å; L370-L389 HydrophobicContact CD2-CD2 4.42Å; L370-M399 HydrophobicContact CD1-CB 4.38Å; L370-M399 HydrophobicContact CD1-SD 4.44Å; L370-V400 PolarHBondContact N-O 3.01Å; L370-N401 WeakPolarHBondContact O-CA 3.36Å; L370-V402 PolarHBondContact O-N 3.2Å; L370-V402 VanDerWaalsContact O-O 3.14Å; L370-V425 HydrophobicContact CD1-CG1 3.83Å; L370-V425 HydrophobicContact CD1-CG2 3.87Å
371	R	97.3	Very high	93.8	Very high	66 Å²	66	40.5 Å²	40.5	25%	0.249	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	104.8	175	-59.4	-173.7	60.1	-137.8	11	109.1	I345 L346 N347 I348 V369 V402 Q404 T433	I345-R371 HydrophobicContact CG2-CG 3.92Å; L346-R371 PolarHBondContact O-N 3.45Å; N347-R371 WeakPolarHBondContact OD1-CB 3.44Å; N347-R371 WeakPolarHBondContact OD1-CD 3.27Å; N347-R371 PolarHBondContact OD1-NH1 3.45Å; I348-R371 WeakPolarHBondContact CB-O 3.41Å; I348-R371 WeakPolarHBondContact CG1-O 3.44Å; I348-R371 PolarHBondContact N-O 3.19Å; V369-R371 HydrophobicContact CG1-CG 4.4Å; R371-V402 CarbonylContact C-O 3.54Å; R371-V402 WeakPolarHBondContact CA-O 3.38Å; R371-V402 HydrophobicContact CB-CG2 4.44Å; R371-V402 HydrophobicContact CG-CG2 3.73Å; R371-Q404 HydrophobicContact CB-CG 3.9Å; R371-Q404 PolarHBondContact O-NE2 3.47Å; R371-T433 WeakPolarHBondContact CD-OG1 3.25Å; R371-T433 HydrophobicContact CG-CG2 4.47Å; R371-T433 PolarHBondContact NE-OG1 3.44Å; R371-T433 VanDerWaalsContact NE-OG1 3.08Å
372	T	95.3	Very high	93.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	171	-172.9	64.9	0	0	0	0	112.5	I348 L370 G376 N377 N401 V402 Q404 L420	I348-T372 HydrophobicContact CG1-CG2 4.03Å; L370-T372 HydrophobicContact CB-CG2 4.36Å; T372-G376 WeakPolarHBondContact OG1-CA 3.24Å; T372-N377 WeakPolarHBondContact CB-O 3.4Å; T372-N401 WeakPolarHBondContact CB-OD1 3.31Å; T372-N401 WeakPolarHBondContact CG2-OD1 3.45Å; T372-N401 PolarHBondContact OG1-OD1 2.82Å; T372-V402 PolarHBondContact N-O 3.24Å; T372-V402 PolarHBondContact OG1-O 3.49Å; T372-Q404 WeakPolarHBondContact O-CG 3.3Å; T372-Q404 PolarHBondContact O-N 3.35Å; T372-L420 HydrophobicContact CG2-CD1 4.3Å
373	Y	93.4	Very high	93.6	Very high	60 Å²	60	48.6 Å²	48.6	24%	0.235	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-78.7	144.3	-175.8	-47.2	-56.7	0	0	0	112.6	I348 F349 P350 A375 G376 N377 P379	I348-Y373 HydrophobicContact CG2-CE1 4.32Å; I348-Y373 HydrophobicContact CG2-CE2 3.75Å; I348-Y373 WeakPolarHBondContact O-CE1 3.45Å; F349-Y373 WeakPolarHBondContact CA-OH 2.94Å; F349-Y373 PolarHBondContact N-OH 2.84Å; F349-Y373 PolarHBondContact O-OH 2.91Å; P350-Y373 WeakPolarHBondContact CA-OH 3.44Å; P350-Y373 WeakPolarHBondContact CD-OH 3.37Å; Y373-A375 PolarHBondContact O-N 2.61Å; Y373-G376 PolarHBondContact O-N 3.11Å; Y373-N377 VanDerWaalsContact CD2-O 3.29Å; Y373-N377 WeakPolarHBondContact CD2-O 3.26Å; Y373-N377 PolarHBondContact N-O 3.35Å; Y373-N377 PolarHBondContact O-N 2.87Å; Y373-P379 HydrophobicContact CE2-CG 4.43Å
374	G	90.9	Very high	93.5	Very high	34 Å²	34	45 Å²	45	35%	0.351	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-121.6	167.1	0	0	0	0	0	112.8	G376 T403	G374-G376 PolarHBondContact O-N 3.01Å; G374-T403 VanDerWaalsContact O-CB 3.29Å; G374-T403 WeakPolarHBondContact O-CB 3.18Å; G374-T403 PolarHBondContact O-OG1 2.88Å
375	A	89.6	Confident	93.5	Very high	25 Å²	25	40.9 Å²	40.9	21%	0.207	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	16.9	-177.5	0	0	0	0	0	114.8	Y373 V410 K411 Y414	Y373-A375 PolarHBondContact O-N 2.61Å; A375-V410 WeakPolarHBondContact O-CA 3.13Å; A375-K411 HydrophobicContact CB-CB 4.46Å; A375-K411 HydrophobicContact CB-CG 4.28Å; A375-K411 PolarHBondContact O-N 3.04Å; A375-Y414 HydrophobicContact CB-CD2 3.87Å; A375-Y414 HydrophobicContact CB-CE2 4.01Å
376	G	90.5	Very high	93.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	118.7	22.5	179.6	0	0	0	0	0	115.8	T372 Y373 G374 N401 L420	T372-G376 WeakPolarHBondContact OG1-CA 3.24Å; Y373-G376 PolarHBondContact O-N 3.11Å; G374-G376 PolarHBondContact O-N 3.01Å; G376-N401 PolarHBondContact O-ND2 3.3Å; G376-N401 VanDerWaalsContact O-ND2 3.08Å; G376-L420 WeakPolarHBondContact O-CD1 3.22Å
377	N	90.2	Very high	93.3	Very high	52 Å²	52	37.8 Å²	37.8	28%	0.278	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-93.6	140.2	-163.7	-55.7	-33.3	0	0	0	113.5	T372 Y373 T416	T372-N377 WeakPolarHBondContact CB-O 3.4Å; Y373-N377 VanDerWaalsContact CD2-O 3.29Å; Y373-N377 WeakPolarHBondContact CD2-O 3.26Å; Y373-N377 PolarHBondContact N-O 3.35Å; Y373-N377 PolarHBondContact O-N 2.87Å; N377-T416 HydrophobicContact CB-CG2 4.49Å; N377-T416 WeakPolarHBondContact OD1-CB 3.45Å; N377-T416 PolarHBondContact OD1-OG1 2.87Å
378	I	90.7	Very high	93.3	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.051	21%	0.21	C	C	.	.			trans	-119.2	162.7	166.5	-165	162	0	0	0	108.8	I348 S380 L386 L389 L420	I348-I378 HydrophobicContact CD1-CD1 4.1Å; I348-I378 HydrophobicContact CG1-CD1 4.47Å; I348-I378 HydrophobicContact CG2-CG1 4.22Å; I378-S380 VanDerWaalsContact C-N 3.3Å; I378-S380 PolarHBondContact O-N 3.34Å; I378-L386 HydrophobicContact CG2-CD2 4.04Å; I378-L389 HydrophobicContact CD1-CD1 3.95Å; I378-L420 HydrophobicContact CG2-CD1 4.25Å; I378-L420 HydrophobicContact CG2-CD2 3.9Å; I378-L420 HydrophobicContact CG2-CG 4.12Å
379	P	89	Confident	93.2	Very high	40 Å²	40	37.9 Å²	37.9	26%	0.26	21%	0.21	S	C	.	.			trans	-61.2	85.7	171.6	-26.4	37.5	0	0	0	112.5	Y373 S381 R382	Y373-P379 HydrophobicContact CE2-CG 4.43Å; P379-S381 PolarHBondContact O-N 3.41Å; P379-S381 VanDerWaalsContact O-N 3.12Å; P379-R382 HydrophobicContact CB-CB 4.38Å; P379-R382 HydrophobicContact CB-CG 4.02Å; P379-R382 WeakPolarHBondContact O-CB 3.47Å; P379-R382 PolarHBondContact O-N 3.02Å
380	S	84.5	Confident	93	Very high	66 Å²	66	41.3 Å²	41.3	46%	0.462	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.9	-173.5	54.9	0	0	0	0	114.3	I378 R382	I378-S380 VanDerWaalsContact C-N 3.3Å; I378-S380 PolarHBondContact O-N 3.34Å; S380-R382 PolarHBondContact O-N 3.03Å
381	S	89	Confident	93	Very high	113 Å²	113	45.7 Å²	45.7	79%	0.79	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-10.7	171.6	62.7	0	0	0	0	113.7	P379 Q383	P379-S381 PolarHBondContact O-N 3.41Å; P379-S381 VanDerWaalsContact O-N 3.12Å; S381-Q383 PolarHBondContact O-N 2.76Å
382	R	93	Very high	92.9	Very high	117 Å²	117	42.5 Å²	42.5	44%	0.442	23%	0.233	S	C	.	.			trans	-96	83.5	179.5	-70.1	-67.9	-56.2	-141.2	-3.8	110.3	P379 S380 D384 L385 L386	P379-R382 HydrophobicContact CB-CB 4.38Å; P379-R382 HydrophobicContact CB-CG 4.02Å; P379-R382 WeakPolarHBondContact O-CB 3.47Å; P379-R382 PolarHBondContact O-N 3.02Å; S380-R382 PolarHBondContact O-N 3.03Å; R382-D384 WeakPolarHBondContact CB-OD1 3.3Å; R382-D384 IonicContact CZ-OD1 3.29Å; R382-D384 IonicContact CZ-OD2 2.64Å; R382-D384 IonicContact NE-OD1 2.61Å; R382-D384 PolarHBondContact NE-OD1 3.34Å; R382-D384 IonicContact NE-OD2 3.47Å; R382-D384 VanDerWaalsContact NH2-CG 3.29Å; R382-D384 IonicContact NH2-OD1 2.81Å; R382-D384 PolarHBondContact NH2-OD1 2.9Å; R382-D384 IonicContact NH2-OD2 3.38Å; R382-D384 PolarHBondContact NH2-OD2 3.33Å; R382-D384 PolarHBondContact O-N 3.24Å; R382-L385 HydrophobicContact CB-CB 4.28Å; R382-L385 HydrophobicContact CB-CD1 3.77Å; R382-L385 HydrophobicContact CB-CG 3.81Å; R382-L385 HydrophobicContact CG-CD1 4.2Å; R382-L385 PolarHBondContact O-N 2.94Å; R382-L385 VanDerWaalsContact O-N 3.1Å; R382-L386 PolarHBondContact O-N 3.4Å
383	Q	94.1	Very high	92.9	Very high	91 Å²	91	43.2 Å²	43.2	43%	0.425	24%	0.238	S	C	.	.	H	α-helix	trans	-57.3	-35	179.8	-170.8	59.6	43.4	0	0	112.4	S381 L385 L386 D387 Y423	S381-Q383 PolarHBondContact O-N 2.76Å; Q383-L385 VanDerWaalsContact C-N 3.26Å; Q383-L385 PolarHBondContact O-N 2.94Å; Q383-L386 PolarHBondContact O-N 2.97Å; Q383-L386 VanDerWaalsContact O-N 3.1Å; Q383-D387 PolarHBondContact NE2-OD1 2.99Å; Q383-D387 WeakPolarHBondContact O-CB 3.11Å; Q383-D387 PolarHBondContact O-N 2.82Å; Q383-Y423 PolarHBondContact NE2-OH 2.81Å; Q383-Y423 VanDerWaalsContact NE2-OH 3.07Å
384	D	96	Very high	93	Very high	39 Å²	39	45.5 Å²	45.5	21%	0.209	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-30.7	179	69.3	-57.4	0	0	0	113.6	K354 R382 A388	K354-D384 HydrophobicContact CD-CB 4.16Å; R382-D384 WeakPolarHBondContact CB-OD1 3.3Å; R382-D384 IonicContact CZ-OD1 3.29Å; R382-D384 IonicContact CZ-OD2 2.64Å; R382-D384 IonicContact NE-OD1 2.61Å; R382-D384 PolarHBondContact NE-OD1 3.34Å; R382-D384 IonicContact NE-OD2 3.47Å; R382-D384 VanDerWaalsContact NH2-CG 3.29Å; R382-D384 IonicContact NH2-OD1 2.81Å; R382-D384 PolarHBondContact NH2-OD1 2.9Å; R382-D384 IonicContact NH2-OD2 3.38Å; R382-D384 PolarHBondContact NH2-OD2 3.33Å; R382-D384 PolarHBondContact O-N 3.24Å; D384-A388 PolarHBondContact O-N 3.29Å
385	L	95.3	Very high	93.1	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-74.8	-42.1	173.1	-59.5	-177.4	0	0	0	111.2	I352 K354 I357 R382 Q383 A388 L389	I352-L385 HydrophobicContact CG2-CD1 4.2Å; K354-L385 HydrophobicContact CB-CD2 4.31Å; I357-L385 HydrophobicContact CD1-CB 4.07Å; I357-L385 HydrophobicContact CD1-CD2 3.76Å; I357-L385 HydrophobicContact CD1-CG 4.39Å; R382-L385 HydrophobicContact CB-CB 4.28Å; R382-L385 HydrophobicContact CB-CD1 3.77Å; R382-L385 HydrophobicContact CB-CG 3.81Å; R382-L385 HydrophobicContact CG-CD1 4.2Å; R382-L385 PolarHBondContact O-N 2.94Å; R382-L385 VanDerWaalsContact O-N 3.1Å; Q383-L385 VanDerWaalsContact C-N 3.26Å; Q383-L385 PolarHBondContact O-N 2.94Å; L385-A388 PolarHBondContact O-N 3.08Å; L385-L389 WeakPolarHBondContact O-CG 3.27Å; L385-L389 PolarHBondContact O-N 2.68Å; L385-L389 VanDerWaalsContact O-N 3.14Å
386	L	94.4	Very high	93.3	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-41.3	178.1	-61	177.7	0	0	0	111.3	I378 R382 Q383 A388 L389 K390 V419 L420 Y423	I378-L386 HydrophobicContact CG2-CD2 4.04Å; R382-L386 PolarHBondContact O-N 3.4Å; Q383-L386 PolarHBondContact O-N 2.97Å; Q383-L386 VanDerWaalsContact O-N 3.1Å; L386-A388 VanDerWaalsContact C-N 3.33Å; L386-A388 PolarHBondContact O-N 3.03Å; L386-L389 PolarHBondContact O-N 2.83Å; L386-K390 PolarHBondContact O-N 2.78Å; L386-V419 HydrophobicContact CD1-CG1 4.14Å; L386-V419 HydrophobicContact CD2-CG1 4.09Å; L386-L420 HydrophobicContact CD2-CD2 4.4Å; L386-Y423 HydrophobicContact CB-CD1 4.04Å; L386-Y423 HydrophobicContact CB-CD2 4.26Å; L386-Y423 HydrophobicContact CB-CE1 3.74Å; L386-Y423 HydrophobicContact CB-CE2 4.05Å; L386-Y423 HydrophobicContact CB-CG 4.31Å; L386-Y423 HydrophobicContact CD1-CE2 3.86Å; L386-Y423 HydrophobicContact CD2-CD2 4.16Å; L386-Y423 HydrophobicContact CD2-CE2 4.32Å; L386-Y423 HydrophobicContact CG-CE2 4.3Å; L386-Y423 WeakPolarHBondContact O-CD1 3.06Å
387	D	95.6	Very high	93.6	Very high	72 Å²	72	49.7 Å²	49.7	39%	0.385	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-39.6	175.9	-65.9	-17.2	0	0	0	111.6	Q383 L389 K390 E391	Q383-D387 PolarHBondContact NE2-OD1 2.99Å; Q383-D387 WeakPolarHBondContact O-CB 3.11Å; Q383-D387 PolarHBondContact O-N 2.82Å; D387-L389 VanDerWaalsContact C-N 3.34Å; D387-L389 PolarHBondContact O-N 3.3Å; D387-K390 WeakPolarHBondContact O-CB 2.98Å; D387-K390 PolarHBondContact O-N 3.11Å; D387-E391 WeakPolarHBondContact O-CB 3.43Å; D387-E391 PolarHBondContact O-N 3.03Å
388	A	96.3	Very high	93.9	Very high	2 Å²	2	47.3 Å²	47.3	2%	0.017	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-38.2	176.3	0	0	0	0	0	112.3	K354 I357 I358 D384 L385 L386 A392	K354-A388 HydrophobicContact CG-CB 4.21Å; I357-A388 HydrophobicContact CB-CB 4.4Å; I357-A388 HydrophobicContact CG2-CB 4.02Å; I358-A388 HydrophobicContact CG1-CB 4.17Å; D384-A388 PolarHBondContact O-N 3.29Å; L385-A388 PolarHBondContact O-N 3.08Å; L386-A388 VanDerWaalsContact C-N 3.33Å; L386-A388 PolarHBondContact O-N 3.03Å; A388-A392 PolarHBondContact O-N 3.29Å; A388-A392 VanDerWaalsContact O-N 3.1Å
389	L	96	Very high	94.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-41.3	172.3	-64.9	176.1	0	0	0	111.1	I357 L361 L370 I378 L385 L386 D387 E391 A392 S393 M399 L420 V425	I357-L389 HydrophobicContact CG2-CD2 4Å; L361-L389 HydrophobicContact CD1-CD2 4.22Å; L370-L389 HydrophobicContact CD1-CD1 4.36Å; L370-L389 HydrophobicContact CD1-CD2 3.85Å; L370-L389 HydrophobicContact CD2-CD2 4.42Å; I378-L389 HydrophobicContact CD1-CD1 3.95Å; L385-L389 WeakPolarHBondContact O-CG 3.27Å; L385-L389 PolarHBondContact O-N 2.68Å; L385-L389 VanDerWaalsContact O-N 3.14Å; L386-L389 PolarHBondContact O-N 2.83Å; D387-L389 VanDerWaalsContact C-N 3.34Å; D387-L389 PolarHBondContact O-N 3.3Å; L389-E391 VanDerWaalsContact C-N 3.33Å; L389-E391 PolarHBondContact O-N 2.99Å; L389-A392 WeakPolarHBondContact O-CB 3.35Å; L389-A392 PolarHBondContact O-N 3.17Å; L389-S393 PolarHBondContact O-N 3.28Å; L389-M399 HydrophobicContact CB-SD 4.47Å; L389-M399 HydrophobicContact CD2-SD 3.94Å; L389-M399 VanDerWaalsContact O-CE 3.27Å; L389-M399 WeakPolarHBondContact O-CE 3.23Å; L389-L420 HydrophobicContact CD1-CD2 3.69Å; L389-V425 HydrophobicContact CD1-CG2 4.43Å
390	K	95.6	Very high	94.6	Very high	71 Å²	71	45 Å²	45	31%	0.309	24%	0.239	S	C	.	.	H	α-helix	trans	-57.3	-48.9	175.6	-165.7	56.3	179.9	69	0	111.4	L386 D387 A392 S393 D394 Y423	L386-K390 PolarHBondContact O-N 2.78Å; D387-K390 WeakPolarHBondContact O-CB 2.98Å; D387-K390 PolarHBondContact O-N 3.11Å; K390-A392 VanDerWaalsContact C-N 3.3Å; K390-A392 PolarHBondContact O-N 3.44Å; K390-S393 WeakPolarHBondContact O-CB 3.37Å; K390-S393 PolarHBondContact O-N 2.95Å; K390-S393 VanDerWaalsContact O-N 3.14Å; K390-D394 IonicContact NZ-OD1 3.25Å; K390-D394 PolarHBondContact NZ-OD1 3.48Å; K390-D394 IonicContact NZ-OD2 2.59Å; K390-D394 PolarHBondContact NZ-OD2 2.95Å; K390-D394 VanDerWaalsContact O-CG 3.25Å; K390-D394 PolarHBondContact O-N 2.99Å; K390-Y423 HydrophobicContact CB-CD1 3.89Å; K390-Y423 HydrophobicContact CD-CD1 4.13Å; K390-Y423 HydrophobicContact CG-CD1 4.35Å
391	E	96.1	Very high	95.1	Very high	93 Å²	93	42 Å²	42	44%	0.435	22%	0.217	S	C	.	.	H	α-helix	trans	-61.1	-41.3	-179.5	-163.9	-165.8	137.4	0	0	110.8	D387 L389 D394 R395	D387-E391 WeakPolarHBondContact O-CB 3.43Å; D387-E391 PolarHBondContact O-N 3.03Å; L389-E391 VanDerWaalsContact C-N 3.33Å; L389-E391 PolarHBondContact O-N 2.99Å; E391-D394 PolarHBondContact O-N 3.13Å; E391-R395 WeakPolarHBondContact O-CG 3.49Å; E391-R395 PolarHBondContact O-N 2.86Å; E391-R395 IonicContact OE1-NH1 2.6Å; E391-R395 PolarHBondContact OE1-NH1 3.42Å
392	A	96.2	Very high	95.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62	-44	173.4	0	0	0	0	0	112.5	L361 A388 L389 K390 D394 R395 G396 I397 M399	L361-A392 HydrophobicContact CB-CB 4.28Å; L361-A392 HydrophobicContact CD1-CB 3.61Å; A388-A392 PolarHBondContact O-N 3.29Å; A388-A392 VanDerWaalsContact O-N 3.1Å; L389-A392 WeakPolarHBondContact O-CB 3.35Å; L389-A392 PolarHBondContact O-N 3.17Å; K390-A392 VanDerWaalsContact C-N 3.3Å; K390-A392 PolarHBondContact O-N 3.44Å; A392-D394 VanDerWaalsContact C-N 3.29Å; A392-D394 PolarHBondContact O-N 3.17Å; A392-R395 PolarHBondContact O-N 2.89Å; A392-G396 PolarHBondContact O-N 2.82Å; A392-I397 HydrophobicContact CB-CB 4.4Å; A392-I397 HydrophobicContact CB-CD1 4.04Å; A392-I397 WeakPolarHBondContact O-CB 3.37Å; A392-I397 PolarHBondContact O-N 3.11Å; A392-M399 HydrophobicContact CB-CE 4.5Å; A392-M399 HydrophobicContact CB-SD 4.23Å
393	S	94.9	Very high	95.6	Very high	14 Å²	14	31.7 Å²	31.7	10%	0.098	16%	0.163	C	C	.	.	H	α-helix	trans	-60.2	-40.4	173.9	-176	0	0	0	0	111.6	L389 K390 R395 G396 Y452	L389-S393 PolarHBondContact O-N 3.28Å; K390-S393 WeakPolarHBondContact O-CB 3.37Å; K390-S393 PolarHBondContact O-N 2.95Å; K390-S393 VanDerWaalsContact O-N 3.14Å; S393-R395 VanDerWaalsContact C-N 3.3Å; S393-R395 PolarHBondContact O-N 3.47Å; S393-G396 WeakPolarHBondContact O-CA 3.42Å; S393-G396 PolarHBondContact O-N 3.39Å; S393-Y452 PolarHBondContact OG-OH 3.48Å; S393-Y452 VanDerWaalsContact OG-OH 3.06Å
394	D	94.6	Very high	95.7	Very high	109 Å²	109	30.5 Å²	30.5	58%	0.583	16%	0.157	S	C	*	.	H	α-helix	trans	-71.1	-27.6	-178.9	-69.4	-19.6	0	0	0	112.2	K390 E391 A392 G396	K390-D394 IonicContact NZ-OD1 3.25Å; K390-D394 PolarHBondContact NZ-OD1 3.48Å; K390-D394 IonicContact NZ-OD2 2.59Å; K390-D394 PolarHBondContact NZ-OD2 2.95Å; K390-D394 VanDerWaalsContact O-CG 3.25Å; K390-D394 PolarHBondContact O-N 2.99Å; E391-D394 PolarHBondContact O-N 3.13Å; A392-D394 VanDerWaalsContact C-N 3.29Å; A392-D394 PolarHBondContact O-N 3.17Å; D394-G396 PolarHBondContact O-N 3.2Å
395	R	94.3	Very high	95.7	Very high	104 Å²	104	31.6 Å²	31.6	39%	0.392	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-5.6	166.4	-66.6	-168.4	-54.9	-98.4	4.3	113.6	L361 E391 A392 S393	L361-R395 PolarHBondContact O-NH2 3.22Å; E391-R395 WeakPolarHBondContact O-CG 3.49Å; E391-R395 PolarHBondContact O-N 2.86Å; E391-R395 IonicContact OE1-NH1 2.6Å; E391-R395 PolarHBondContact OE1-NH1 3.42Å; A392-R395 PolarHBondContact O-N 2.89Å; S393-R395 VanDerWaalsContact C-N 3.3Å; S393-R395 PolarHBondContact O-N 3.47Å
396	G	94	Very high	95.3	Very high	36 Å²	36	37.6 Å²	37.6	37%	0.371	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	16.8	179.1	0	0	0	0	0	115	A392 S393 D394 L398	A392-G396 PolarHBondContact O-N 2.82Å; S393-G396 WeakPolarHBondContact O-CA 3.42Å; S393-G396 PolarHBondContact O-N 3.39Å; D394-G396 PolarHBondContact O-N 3.2Å; G396-L398 PolarHBondContact O-N 3.29Å
397	I	96.2	Very high	95.2	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.036	22%	0.222	C	C	.	.			trans	-73.7	122.6	175.7	-59.1	178.9	0	0	0	109	L361 I365 K366 V368 A392 M399	L361-I397 HydrophobicContact CB-CD1 4.04Å; L361-I397 WeakPolarHBondContact O-CD1 3.03Å; I365-I397 HydrophobicContact CG2-CG2 4.47Å; K366-I397 WeakPolarHBondContact O-CA 3.14Å; V368-I397 HydrophobicContact CG1-CG2 4.38Å; A392-I397 HydrophobicContact CB-CB 4.4Å; A392-I397 HydrophobicContact CB-CD1 4.04Å; A392-I397 WeakPolarHBondContact O-CB 3.37Å; A392-I397 PolarHBondContact O-N 3.11Å; I397-M399 HydrophobicContact CG2-CG 4.27Å
398	L	96.3	Very high	95	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	123.8	175.9	-73.7	174.4	0	0	0	110.6	K366 G367 V368 G396 L440 I443 L444 Y452 K455 R456 L459	K366-L398 PolarHBondContact O-N 3.05Å; G367-L398 CarbonylContact C-O 3.49Å; G367-L398 WeakPolarHBondContact CA-O 3.47Å; V368-L398 PolarHBondContact N-O 3.3Å; G396-L398 PolarHBondContact O-N 3.29Å; L398-L440 HydrophobicContact CB-CD1 3.68Å; L398-L440 HydrophobicContact CD1-CD1 4.31Å; L398-I443 HydrophobicContact CD1-CG2 4.41Å; L398-L444 HydrophobicContact CD1-CD2 3.62Å; L398-L444 HydrophobicContact CD1-CG 4.11Å; L398-L444 HydrophobicContact CG-CD2 4.34Å; L398-Y452 HydrophobicContact CD2-CD2 3.81Å; L398-Y452 HydrophobicContact CD2-CE2 3.55Å; L398-Y452 HydrophobicContact CG-CD2 4.4Å; L398-Y452 HydrophobicContact CG-CE2 4.18Å; L398-K455 HydrophobicContact CD1-CB 3.61Å; L398-K455 HydrophobicContact CD1-CD 3.92Å; L398-K455 HydrophobicContact CD1-CG 4.38Å; L398-K455 HydrophobicContact CD2-CB 4.26Å; L398-R456 HydrophobicContact CD2-CB 4.42Å; L398-L459 HydrophobicContact CB-CD1 4.34Å; L398-L459 HydrophobicContact CD1-CD1 4.46Å; L398-L459 HydrophobicContact CD2-CD1 4.25Å
399	M	97.3	Very high	94.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.7	-177.1	-58	-178	-82.2	0	0	110.9	L361 V368 L370 L389 A392 I397 V425 T426	L361-M399 HydrophobicContact CD1-SD 4.47Å; V368-M399 HydrophobicContact CG1-CB 4.12Å; V368-M399 HydrophobicContact CG1-CG 3.56Å; V368-M399 HydrophobicContact CG1-SD 4.36Å; V368-M399 WeakPolarHBondContact O-CA 3.32Å; L370-M399 HydrophobicContact CD1-CB 4.38Å; L370-M399 HydrophobicContact CD1-SD 4.44Å; L389-M399 HydrophobicContact CB-SD 4.47Å; L389-M399 HydrophobicContact CD2-SD 3.94Å; L389-M399 VanDerWaalsContact O-CE 3.27Å; L389-M399 WeakPolarHBondContact O-CE 3.23Å; A392-M399 HydrophobicContact CB-CE 4.5Å; A392-M399 HydrophobicContact CB-SD 4.23Å; I397-M399 HydrophobicContact CG2-CG 4.27Å; M399-V425 HydrophobicContact CB-CB 4.24Å; M399-V425 HydrophobicContact CB-CG1 4.02Å; M399-V425 HydrophobicContact CB-CG2 3.96Å; M399-V425 HydrophobicContact CE-CG2 3.85Å; M399-V425 HydrophobicContact SD-CG2 3.97Å; M399-T426 WeakPolarHBondContact O-CB 3.3Å; M399-T426 PolarHBondContact O-N 3.03Å
400	V	96.8	Very high	94.4	Very high	1 Å²	1	45 Å²	45	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.8	176.3	-176.4	0	0	0	0	109.4	V368 V369 L370 V402 T426 M431 A436 L440 L459	V368-V400 PolarHBondContact O-N 3.26Å; V369-V400 CarbonylContact C-O 3.56Å; V369-V400 WeakPolarHBondContact CA-O 3.3Å; L370-V400 PolarHBondContact N-O 3.01Å; V400-V402 HydrophobicContact CG1-CG1 4.19Å; V400-T426 CarbonylContact C-O 3.46Å; V400-T426 WeakPolarHBondContact CA-O 3.44Å; V400-M431 HydrophobicContact CG1-CE 3.93Å; V400-A436 HydrophobicContact CG1-CB 4.42Å; V400-L440 HydrophobicContact CG2-CD1 4.34Å; V400-L459 HydrophobicContact CG2-CD1 3.8Å; V400-L459 HydrophobicContact CG2-CD2 3.55Å; V400-L459 HydrophobicContact CG2-CG 4.24Å
401	N	96.1	Very high	93.8	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	116	176.1	-176.4	6.1	0	0	0	110.5	L370 T372 G376 V410 L420 V425 T426 G428	L370-N401 WeakPolarHBondContact O-CA 3.36Å; T372-N401 WeakPolarHBondContact CB-OD1 3.31Å; T372-N401 WeakPolarHBondContact CG2-OD1 3.45Å; T372-N401 PolarHBondContact OG1-OD1 2.82Å; G376-N401 PolarHBondContact O-ND2 3.3Å; G376-N401 VanDerWaalsContact O-ND2 3.08Å; N401-V410 VanDerWaalsContact O-CG2 3.31Å; N401-V410 WeakPolarHBondContact O-CG2 3.44Å; N401-L420 VanDerWaalsContact ND2-CD1 3.27Å; N401-L420 WeakPolarHBondContact ND2-CD1 3.42Å; N401-V425 HydrophobicContact CB-CG1 3.71Å; N401-T426 PolarHBondContact N-O 3.26Å; N401-G428 VanDerWaalsContact O-CA 3.27Å; N401-G428 WeakPolarHBondContact O-CA 3.13Å; N401-G428 PolarHBondContact O-N 3.08Å
402	V	96.3	Very high	92.6	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	158.3	170.1	-58	0	0	0	0	110	V369 L370 R371 T372 V400 M431 A436	V369-V402 HydrophobicContact CG1-CB 4.45Å; V369-V402 HydrophobicContact CG1-CG1 4.17Å; V369-V402 HydrophobicContact CG1-CG2 3.46Å; V369-V402 VanDerWaalsContact CG1-CG2 3.46Å; L370-V402 PolarHBondContact O-N 3.2Å; L370-V402 VanDerWaalsContact O-O 3.14Å; R371-V402 CarbonylContact C-O 3.54Å; R371-V402 WeakPolarHBondContact CA-O 3.38Å; R371-V402 HydrophobicContact CB-CG2 4.44Å; R371-V402 HydrophobicContact CG-CG2 3.73Å; T372-V402 PolarHBondContact N-O 3.24Å; T372-V402 PolarHBondContact OG1-O 3.49Å; V400-V402 HydrophobicContact CG1-CG1 4.19Å; V402-M431 HydrophobicContact CG1-CB 4.45Å; V402-A436 HydrophobicContact CG1-CB 3.69Å
403	T	95.6	Very high	90.9	Very high	12 Å²	12	48.4 Å²	48.4	7%	0.074	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	149.4	177.8	-176	0	0	0	0	111.9	G374 C405	G374-T403 VanDerWaalsContact O-CB 3.29Å; G374-T403 WeakPolarHBondContact O-CB 3.18Å; G374-T403 PolarHBondContact O-OG1 2.88Å; T403-C405 VanDerWaalsContact C-N 3.26Å; T403-C405 HydrophobicContact CG2-CB 4.11Å; T403-C405 VanDerWaalsContact OG1-CB 3.3Å; T403-C405 WeakPolarHBondContact OG1-CB 3.27Å; T403-C405 PolarHBondContact OG1-N 3.43Å
404	Q	96.5	Very high	89.2	Confident	67 Å²	67	54.4 Å²	54.4	31%	0.313	28%	0.276	S	S	.	.	S	Bend	trans	-73.9	-19.8	164.3	-70	170.8	17.3	0	0	112.6	I348 R371 T372	I348-Q404 PolarHBondContact O-NE2 2.91Å; R371-Q404 HydrophobicContact CB-CG 3.9Å; R371-Q404 PolarHBondContact O-NE2 3.47Å; T372-Q404 WeakPolarHBondContact O-CG 3.3Å; T372-Q404 PolarHBondContact O-N 3.35Å
405	C	95.1	Very high	87.3	Confident	62 Å²	62	53.7 Å²	53.7	42%	0.419	28%	0.28	S	S	.	.	S	Bend	trans	-65.1	139.9	-179	-64.9	0	0	0	0	110.6	T403 R407	T403-C405 VanDerWaalsContact C-N 3.26Å; T403-C405 HydrophobicContact CG2-CB 4.11Å; T403-C405 VanDerWaalsContact OG1-CB 3.3Å; T403-C405 WeakPolarHBondContact OG1-CB 3.27Å; T403-C405 PolarHBondContact OG1-N 3.43Å; C405-R407 VanDerWaalsContact C-N 3.28Å; C405-R407 PolarHBondContact O-N 3.01Å
406	W	88.3	Confident	85.4	Confident	128 Å²	128	50 Å²	50	49%	0.485	27%	0.269	S	S	.	.	S	Bend	trans	-58.5	-37.7	176.2	168.6	-110.4	0	0	0	113.4	V291 C293 E302 P304	V291-W406 HydrophobicContact CB-CH2 3.73Å; V291-W406 HydrophobicContact CB-CZ3 3.52Å; V291-W406 HydrophobicContact CG1-CZ3 4.35Å; V291-W406 HydrophobicContact CG2-CE3 4.16Å; V291-W406 HydrophobicContact CG2-CH2 3.03Å; V291-W406 HydrophobicContact CG2-CZ2 3.91Å; V291-W406 HydrophobicContact CG2-CZ3 3.21Å; C293-W406 HydrophobicContact CB-CH2 3.35Å; C293-W406 HydrophobicContact CB-CZ2 3.68Å; C293-W406 HydrophobicContact CB-CZ3 4.11Å; E302-W406 HydrophobicContact CB-CH2 4.28Å; E302-W406 HydrophobicContact CB-CZ2 3.85Å; E302-W406 HydrophobicContact CG-CZ2 4.12Å; P304-W406 HydrophobicContact CB-CZ2 4.34Å; P304-W406 WeakPolarHBondContact CB-O 3.36Å; P304-W406 WeakPolarHBondContact CG-O 3.34Å
407	R	92.1	Very high	83.7	Confident	187 Å²	187	48.8 Å²	48.8	71%	0.706	26%	0.256	S	S	*	.	S	Bend	trans	-131.2	151.4	-178.7	-171.2	171.1	-166.8	-169.3	-0.2	110.6	P304 C405	P304-R407 HydrophobicContact CB-CB 4.32Å; P304-R407 HydrophobicContact CB-CG 4.43Å; P304-R407 WeakPolarHBondContact O-CG 3.14Å; P304-R407 PolarHBondContact O-NE 3.24Å; C405-R407 VanDerWaalsContact C-N 3.28Å; C405-R407 PolarHBondContact O-N 3.01Å
408	G	90.7	Very high	82.4	Confident	33 Å²	33	52.5 Å²	52.5	34%	0.34	28%	0.275	S	S	.	.			trans	94.3	-166.4	-172.9	0	0	0	0	0	111.5	N305	N305-G408 PolarHBondContact ND2-O 2.7Å; N305-G408 PolarHBondContact OD1-N 3.5Å; N305-G408 PolarHBondContact OD1-O 2.97Å
409	G	89.8	Confident	81.5	Confident	14 Å²	14	54.1 Å²	54.1	14%	0.144	29%	0.285	C	S	.	.			trans	-160	174.2	-175.4	0	0	0	0	0	112.7	Y429	G409-Y429 CarbonylContact C-O 3.53Å; G409-Y429 WeakPolarHBondContact CA-O 3.14Å
410	V	90.5	Very high	81.1	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	29%	0.285	C	S	.	.			trans	-69.1	127	172.9	175.4	0	0	0	0	109.7	A375 N401 P427 Y429	A375-V410 WeakPolarHBondContact O-CA 3.13Å; N401-V410 VanDerWaalsContact O-CG2 3.31Å; N401-V410 WeakPolarHBondContact O-CG2 3.44Å; V410-P427 HydrophobicContact CG1-CB 4.06Å; V410-Y429 PolarHBondContact N-O 3.25Å; V410-Y429 WeakPolarHBondContact O-CA 3.3Å
411	K	82.1	Confident	80.5	Confident	89 Å²	89	57.3 Å²	57.3	39%	0.387	30%	0.302	S	S	.	.			trans	-100.6	117.6	179.1	-64.1	-69	178.5	178.2	0	108.9	A375 V413 Y414 E470	A375-K411 HydrophobicContact CB-CB 4.46Å; A375-K411 HydrophobicContact CB-CG 4.28Å; A375-K411 PolarHBondContact O-N 3.04Å; K411-V413 PolarHBondContact O-N 2.85Å; K411-Y414 HydrophobicContact CB-CD2 3.52Å; K411-Y414 HydrophobicContact CB-CE2 3.75Å; K411-Y414 HydrophobicContact CG-CD2 4.12Å; K411-Y414 HydrophobicContact CG-CE2 3.84Å; K411-E470 WeakPolarHBondContact CD-OE1 3.49Å; K411-E470 WeakPolarHBondContact CE-OE1 3.43Å; K411-E470 IonicContact NZ-OE1 3.53Å; K411-E470 PolarHBondContact NZ-OE1 3.38Å
412	A	70.3	Confident	80.1	Confident	28 Å²	28	64 Å²	64	23%	0.231	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.3	-177	0	0	0	0	0	113.2	L418 P427 Y429	A412-L418 WeakPolarHBondContact O-CD2 3.32Å; A412-L418 WeakPolarHBondContact O-CG 3.31Å; A412-P427 HydrophobicContact CB-CG 4.44Å; A412-Y429 HydrophobicContact CB-CE1 4.17Å
413	V	61.4	Low	79.9	Confident	118 Å²	118	66 Å²	66	72%	0.715	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-19.5	-172.7	-169.3	0	0	0	0	113.4	K411	K411-V413 PolarHBondContact O-N 2.85Å
414	Y	59	Low	79.7	Confident	140 Å²	140	65.9 Å²	65.9	55%	0.549	34%	0.341	S	S	.	.	S	Bend	trans	-72.3	147.6	177.2	-71.8	-59.9	0	0	0	111.4	A375 K411 T416 G417 L418	A375-Y414 HydrophobicContact CB-CD2 3.87Å; A375-Y414 HydrophobicContact CB-CE2 4.01Å; K411-Y414 HydrophobicContact CB-CD2 3.52Å; K411-Y414 HydrophobicContact CB-CE2 3.75Å; K411-Y414 HydrophobicContact CG-CD2 4.12Å; K411-Y414 HydrophobicContact CG-CE2 3.84Å; Y414-T416 PolarHBondContact O-N 3.19Å; Y414-G417 PolarHBondContact O-N 2.96Å; Y414-L418 PolarHBondContact O-N 3.12Å
415	S	54.7	Low	79.6	Confident	94 Å²	94	62.8 Å²	62.8	66%	0.657	33%	0.327	S	S	*	.	H	α-helix	trans	-51	-36.1	-179.5	52	0	0	0	0	112.9	V419	S415-V419 WeakPolarHBondContact O-CG2 3.49Å; S415-V419 PolarHBondContact O-N 2.69Å; S415-V419 VanDerWaalsContact O-N 3.14Å
416	T	55.6	Low	79.6	Confident	27 Å²	27	59.9 Å²	59.9	17%	0.166	31%	0.308	C	S	.	.	H	α-helix	trans	-72.7	-36.2	176.7	43.4	0	0	0	0	114.2	N377 Y414 L420	N377-T416 HydrophobicContact CB-CG2 4.49Å; N377-T416 WeakPolarHBondContact OD1-CB 3.45Å; N377-T416 PolarHBondContact OD1-OG1 2.87Å; Y414-T416 PolarHBondContact O-N 3.19Å; T416-L420 PolarHBondContact O-N 2.98Å
417	G	57.5	Low	79.8	Confident	9 Å²	9	54.4 Å²	54.4	9%	0.093	29%	0.289	C	S	.	.	H	α-helix	trans	-70	-39.2	175.5	0	0	0	0	0	112	Y414 N421	Y414-G417 PolarHBondContact O-N 2.96Å; G417-N421 PolarHBondContact O-N 3.24Å
418	L	67.9	Low	79.9	Confident	86 Å²	86	45.5 Å²	45.5	45%	0.45	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-43.8	172.8	-72.7	170.6	0	0	0	111.8	A412 Y414 L420 N421 E422	A412-L418 WeakPolarHBondContact O-CD2 3.32Å; A412-L418 WeakPolarHBondContact O-CG 3.31Å; Y414-L418 PolarHBondContact O-N 3.12Å; L418-L420 PolarHBondContact O-N 2.99Å; L418-N421 VanDerWaalsContact O-CB 3.3Å; L418-N421 WeakPolarHBondContact O-CB 3.49Å; L418-N421 PolarHBondContact O-N 3.38Å; L418-N421 VanDerWaalsContact O-N 3.16Å; L418-E422 PolarHBondContact O-N 3.48Å
419	V	77.7	Confident	80.1	Confident	35 Å²	35	45.4 Å²	45.4	21%	0.212	25%	0.245	C	C	.	.	H	α-helix	trans	-53.5	-57.3	176.8	164.5	0	0	0	0	110.3	L386 S415 N421 E422 Y423	L386-V419 HydrophobicContact CD1-CG1 4.14Å; L386-V419 HydrophobicContact CD2-CG1 4.09Å; S415-V419 WeakPolarHBondContact O-CG2 3.49Å; S415-V419 PolarHBondContact O-N 2.69Å; S415-V419 VanDerWaalsContact O-N 3.14Å; V419-N421 PolarHBondContact O-N 3.02Å; V419-N421 VanDerWaalsContact O-N 3.13Å; V419-E422 WeakPolarHBondContact O-CB 3.43Å; V419-E422 PolarHBondContact O-N 3.32Å; V419-Y423 HydrophobicContact CG1-CD2 3.95Å; V419-Y423 HydrophobicContact CG1-CE2 3.83Å; V419-Y423 WeakPolarHBondContact O-CD2 3.41Å; V419-Y423 PolarHBondContact O-N 2.87Å
420	L	88.9	Confident	80.3	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-31.7	-178.2	-79	177.8	0	0	0	113.4	T372 G376 I378 L386 L389 N401 T416 L418 Y423 G424 V425	T372-L420 HydrophobicContact CG2-CD1 4.3Å; G376-L420 WeakPolarHBondContact O-CD1 3.22Å; I378-L420 HydrophobicContact CG2-CD1 4.25Å; I378-L420 HydrophobicContact CG2-CD2 3.9Å; I378-L420 HydrophobicContact CG2-CG 4.12Å; L386-L420 HydrophobicContact CD2-CD2 4.4Å; L389-L420 HydrophobicContact CD1-CD2 3.69Å; N401-L420 VanDerWaalsContact ND2-CD1 3.27Å; N401-L420 WeakPolarHBondContact ND2-CD1 3.42Å; T416-L420 PolarHBondContact O-N 2.98Å; L418-L420 PolarHBondContact O-N 2.99Å; L420-Y423 CarbonylContact O-C 3.6Å; L420-Y423 PolarHBondContact O-N 2.83Å; L420-G424 PolarHBondContact O-N 2.94Å; L420-V425 HydrophobicContact CB-CB 4.1Å; L420-V425 HydrophobicContact CD2-CG2 4.21Å; L420-V425 WeakPolarHBondContact O-CB 3.42Å; L420-V425 PolarHBondContact O-N 3.5Å
421	N	85.4	Confident	80.6	Confident	67 Å²	67	46 Å²	46	36%	0.358	24%	0.244	S	C	.	.	H	α-helix	trans	-64.7	-36.9	175.7	-164.6	36.7	0	0	0	113	G417 L418 V419 Y423 G424 V425 R456	G417-N421 PolarHBondContact O-N 3.24Å; L418-N421 VanDerWaalsContact O-CB 3.3Å; L418-N421 WeakPolarHBondContact O-CB 3.49Å; L418-N421 PolarHBondContact O-N 3.38Å; L418-N421 VanDerWaalsContact O-N 3.16Å; V419-N421 PolarHBondContact O-N 3.02Å; V419-N421 VanDerWaalsContact O-N 3.13Å; N421-Y423 VanDerWaalsContact C-N 3.28Å; N421-Y423 PolarHBondContact O-N 2.97Å; N421-G424 PolarHBondContact O-N 2.84Å; N421-V425 WeakPolarHBondContact CA-O 3.45Å; N421-R456 PolarHBondContact O-NH2 2.89Å; N421-R456 PolarHBondContact OD1-NH2 3.34Å
422	E	86.7	Confident	81.4	Confident	144 Å²	144	42.3 Å²	42.3	67%	0.673	23%	0.229	S	C	*	.	H	α-helix	trans	-67.1	-30	174.3	-64.8	173.6	172.5	0	0	112.1	L418 V419 G424	L418-E422 PolarHBondContact O-N 3.48Å; V419-E422 WeakPolarHBondContact O-CB 3.43Å; V419-E422 PolarHBondContact O-N 3.32Å; E422-G424 VanDerWaalsContact C-N 3.26Å; E422-G424 PolarHBondContact O-N 3.18Å
423	Y	92	Very high	82.7	Confident	44 Å²	44	41.8 Å²	41.8	17%	0.173	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	11.3	176.2	-67.5	-80.3	0	0	0	113.6	Q383 L386 K390 V419 L420 N421	Q383-Y423 PolarHBondContact NE2-OH 2.81Å; Q383-Y423 VanDerWaalsContact NE2-OH 3.07Å; L386-Y423 HydrophobicContact CB-CD1 4.04Å; L386-Y423 HydrophobicContact CB-CD2 4.26Å; L386-Y423 HydrophobicContact CB-CE1 3.74Å; L386-Y423 HydrophobicContact CB-CE2 4.05Å; L386-Y423 HydrophobicContact CB-CG 4.31Å; L386-Y423 HydrophobicContact CD1-CE2 3.86Å; L386-Y423 HydrophobicContact CD2-CD2 4.16Å; L386-Y423 HydrophobicContact CD2-CE2 4.32Å; L386-Y423 HydrophobicContact CG-CE2 4.3Å; L386-Y423 WeakPolarHBondContact O-CD1 3.06Å; K390-Y423 HydrophobicContact CB-CD1 3.89Å; K390-Y423 HydrophobicContact CD-CD1 4.13Å; K390-Y423 HydrophobicContact CG-CD1 4.35Å; V419-Y423 HydrophobicContact CG1-CD2 3.95Å; V419-Y423 HydrophobicContact CG1-CE2 3.83Å; V419-Y423 WeakPolarHBondContact O-CD2 3.41Å; V419-Y423 PolarHBondContact O-N 2.87Å; L420-Y423 CarbonylContact O-C 3.6Å; L420-Y423 PolarHBondContact O-N 2.83Å; N421-Y423 VanDerWaalsContact C-N 3.28Å; N421-Y423 PolarHBondContact O-N 2.97Å
424	G	92.1	Very high	84.4	Confident	8 Å²	8	37.3 Å²	37.3	8%	0.082	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	7.1	173.6	0	0	0	0	0	115.4	L420 N421 E422 Y452	L420-G424 PolarHBondContact O-N 2.94Å; N421-G424 PolarHBondContact O-N 2.84Å; E422-G424 VanDerWaalsContact C-N 3.26Å; E422-G424 PolarHBondContact O-N 3.18Å; G424-Y452 PolarHBondContact O-OH 3.18Å
425	V	94.4	Very high	86.3	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.8	179.2	-174.4	0	0	0	0	110.7	L370 L389 M399 N401 L420 N421	L370-V425 HydrophobicContact CD1-CG1 3.83Å; L370-V425 HydrophobicContact CD1-CG2 3.87Å; L389-V425 HydrophobicContact CD1-CG2 4.43Å; M399-V425 HydrophobicContact CB-CB 4.24Å; M399-V425 HydrophobicContact CB-CG1 4.02Å; M399-V425 HydrophobicContact CB-CG2 3.96Å; M399-V425 HydrophobicContact CE-CG2 3.85Å; M399-V425 HydrophobicContact SD-CG2 3.97Å; N401-V425 HydrophobicContact CB-CG1 3.71Å; L420-V425 HydrophobicContact CB-CB 4.1Å; L420-V425 HydrophobicContact CD2-CG2 4.21Å; L420-V425 WeakPolarHBondContact O-CB 3.42Å; L420-V425 PolarHBondContact O-N 3.5Å; N421-V425 WeakPolarHBondContact CA-O 3.45Å
426	T	93.9	Very high	88.4	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	133.9	-178.9	-57.6	0	0	0	0	111.1	M399 V400 N401 G428 R456 L459 L460	M399-T426 WeakPolarHBondContact O-CB 3.3Å; M399-T426 PolarHBondContact O-N 3.03Å; V400-T426 CarbonylContact C-O 3.46Å; V400-T426 WeakPolarHBondContact CA-O 3.44Å; N401-T426 PolarHBondContact N-O 3.26Å; T426-G428 PolarHBondContact O-N 3.42Å; T426-R456 WeakPolarHBondContact OG1-CG 3.33Å; T426-R456 PolarHBondContact OG1-NE 3.41Å; T426-L459 HydrophobicContact CG2-CB 3.99Å; T426-L460 HydrophobicContact CG2-CD2 3.6Å; T426-L460 HydrophobicContact CG2-CG 3.79Å
427	P	93.6	Very high	90.4	Very high	13 Å²	13	26.3 Å²	26.3	8%	0.084	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	128.9	172.6	27.9	-34.5	0	0	0	110.5	V410 A412 Y429 L460	V410-P427 HydrophobicContact CG1-CB 4.06Å; A412-P427 HydrophobicContact CB-CG 4.44Å; P427-Y429 VanDerWaalsContact C-N 3.31Å; P427-Y429 HydrophobicContact CB-CE1 4.48Å; P427-Y429 HydrophobicContact CG-CE1 4.47Å; P427-Y429 HydrophobicContact CG-CE2 4.33Å; P427-L460 HydrophobicContact CG-CD2 4.06Å
428	G	94.4	Very high	92.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.			trans	-87.9	1.6	173.8	0	0	0	0	0	114	N401 T426 D430 M431	N401-G428 VanDerWaalsContact O-CA 3.27Å; N401-G428 WeakPolarHBondContact O-CA 3.13Å; N401-G428 PolarHBondContact O-N 3.08Å; T426-G428 PolarHBondContact O-N 3.42Å; G428-D430 PolarHBondContact O-N 2.99Å; G428-M431 WeakPolarHBondContact O-CB 3.41Å; G428-M431 VanDerWaalsContact O-CE 3.31Å; G428-M431 WeakPolarHBondContact O-CE 3.3Å; G428-M431 WeakPolarHBondContact O-CG 3.39Å; G428-M431 PolarHBondContact O-N 3.43Å; G428-M431 VanDerWaalsContact O-N 3.12Å
429	Y	94.1	Very high	93.8	Very high	31 Å²	31	21.9 Å²	21.9	12%	0.122	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	-120.5	-174.5	-54.2	-78.7	0	0	0	111.6	G409 V410 A412 P427 L460 V467 V469 E470	G409-Y429 CarbonylContact C-O 3.53Å; G409-Y429 WeakPolarHBondContact CA-O 3.14Å; V410-Y429 PolarHBondContact N-O 3.25Å; V410-Y429 WeakPolarHBondContact O-CA 3.3Å; A412-Y429 HydrophobicContact CB-CE1 4.17Å; P427-Y429 VanDerWaalsContact C-N 3.31Å; P427-Y429 HydrophobicContact CB-CE1 4.48Å; P427-Y429 HydrophobicContact CG-CE1 4.47Å; P427-Y429 HydrophobicContact CG-CE2 4.33Å; Y429-L460 HydrophobicContact CE2-CD2 4.29Å; Y429-V467 HydrophobicContact CD2-CG2 3.87Å; Y429-V467 HydrophobicContact CG-CG2 4.23Å; Y429-V469 HydrophobicContact CD2-CG2 4.3Å; Y429-V469 HydrophobicContact CE2-CB 4.45Å; Y429-V469 HydrophobicContact CE2-CG1 3.95Å; Y429-V469 HydrophobicContact CE2-CG2 4.19Å; Y429-E470 HydrophobicContact CD1-CG 4.22Å; Y429-E470 HydrophobicContact CE1-CG 4.36Å
430	D	94.6	Very high	94.8	Very high	21 Å²	21	20.2 Å²	20.2	11%	0.112	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	17.3	-175.1	73.1	-26.2	0	0	0	113.8	R289 N305 G428 V467 T468	R289-D430 IonicContact CZ-OD2 3.76Å; R289-D430 IonicContact NH1-OD1 3.65Å; R289-D430 PolarHBondContact NH1-OD1 3.47Å; R289-D430 IonicContact NH1-OD2 2.83Å; R289-D430 PolarHBondContact NH1-OD2 3.13Å; R289-D430 IonicContact NH2-OD2 2.65Å; N305-D430 HydrophobicContact CB-CB 4Å; N305-D430 PolarHBondContact ND2-O 2.86Å; G428-D430 PolarHBondContact O-N 2.99Å; D430-V467 WeakPolarHBondContact OD1-CA 3.42Å; D430-T468 PolarHBondContact OD1-N 3.49Å; D430-T468 WeakPolarHBondContact OD2-CB 3.11Å
431	M	97	Very high	95.2	Very high	8 Å²	8	20.6 Å²	20.6	4%	0.039	10%	0.104	C	C	.	.			trans	-59.2	143.6	173.4	-75.9	-169.6	-75.3	0	0	111.8	V400 V402 G428 A436 K439 E466 V467	V400-M431 HydrophobicContact CG1-CE 3.93Å; V402-M431 HydrophobicContact CG1-CB 4.45Å; G428-M431 WeakPolarHBondContact O-CB 3.41Å; G428-M431 VanDerWaalsContact O-CE 3.31Å; G428-M431 WeakPolarHBondContact O-CE 3.3Å; G428-M431 WeakPolarHBondContact O-CG 3.39Å; G428-M431 PolarHBondContact O-N 3.43Å; G428-M431 VanDerWaalsContact O-N 3.12Å; M431-A436 HydrophobicContact CB-CB 4.42Å; M431-K439 HydrophobicContact CE-CD 4.42Å; M431-K439 HydrophobicContact SD-CD 3.72Å; M431-E466 HydrophobicContact CG-CG 4.11Å; M431-E466 HydrophobicContact SD-CG 3.8Å; M431-V467 HydrophobicContact CG-CB 3.52Å; M431-V467 HydrophobicContact CG-CG2 3.75Å; M431-V467 HydrophobicContact SD-CB 4.19Å
432	T	97.9	Very high	95.7	Very high	10 Å²	10	17.5 Å²	17.5	6%	0.061	9%	0.088	C	C	.	.			trans	-70.2	161.9	165.5	68.1	0	0	0	0	110.4	V291 E434 A435 A436	V291-T432 HydrophobicContact CG1-CG2 3.76Å; T432-E434 VanDerWaalsContact C-N 3.29Å; T432-E434 WeakPolarHBondContact CB-OE2 3.37Å; T432-E434 PolarHBondContact O-N 2.73Å; T432-A435 PolarHBondContact O-N 2.92Å; T432-A435 VanDerWaalsContact OG1-CB 3.31Å; T432-A435 WeakPolarHBondContact OG1-CB 3.23Å; T432-A435 PolarHBondContact OG1-N 2.88Å; T432-A436 WeakPolarHBondContact O-CB 3.35Å; T432-A436 PolarHBondContact O-N 2.66Å
433	T	98	Very high	96.2	Very high	17 Å²	17	10.7 Å²	10.7	10%	0.104	6%	0.056	C	C	.	.	H	α-helix	trans	-65.8	-39.2	179.2	-65.7	0	0	0	0	110.8	I345 R371 A436 L437	I345-T433 HydrophobicContact CD1-CG2 3.57Å; I345-T433 HydrophobicContact CG1-CG2 4.18Å; I345-T433 HydrophobicContact CG2-CG2 4.18Å; R371-T433 WeakPolarHBondContact CD-OG1 3.25Å; R371-T433 HydrophobicContact CG-CG2 4.47Å; R371-T433 PolarHBondContact NE-OG1 3.44Å; R371-T433 VanDerWaalsContact NE-OG1 3.08Å; T433-A436 PolarHBondContact O-N 3.44Å; T433-L437 WeakPolarHBondContact O-CB 3.26Å; T433-L437 PolarHBondContact O-N 3.24Å
434	E	98	Very high	96.4	Very high	24 Å²	24	9.6 Å²	9.6	11%	0.112	5%	0.053	C	C	.	.	H	α-helix	trans	-59	-52.4	177	-60.8	87.6	158.8	0	0	110.5	A223 Y224 V291 T432 L437 T438	A223-E434 HydrophobicContact CB-CB 4.49Å; A223-E434 HydrophobicContact CB-CG 3.92Å; Y224-E434 HydrophobicContact CD1-CB 3.99Å; Y224-E434 HydrophobicContact CD1-CG 3.86Å; Y224-E434 HydrophobicContact CD2-CG 3.79Å; Y224-E434 HydrophobicContact CE1-CB 4.18Å; Y224-E434 HydrophobicContact CE1-CG 3.78Å; Y224-E434 HydrophobicContact CE2-CG 3.71Å; Y224-E434 HydrophobicContact CG-CB 4.25Å; Y224-E434 HydrophobicContact CG-CG 3.87Å; V291-E434 WeakPolarHBondContact CG1-OE2 3.26Å; T432-E434 VanDerWaalsContact C-N 3.29Å; T432-E434 WeakPolarHBondContact CB-OE2 3.37Å; T432-E434 PolarHBondContact O-N 2.73Å; E434-L437 PolarHBondContact O-N 3.17Å; E434-T438 WeakPolarHBondContact O-CG2 3.28Å; E434-T438 PolarHBondContact O-N 2.88Å; E434-T438 VanDerWaalsContact O-N 3.08Å; E434-T438 PolarHBondContact O-OG1 3.37Å
435	A	98.5	Very high	96.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.9	-41	178.6	0	0	0	0	0	112.4	S288 T432 L437 T438 K439 E466	S288-A435 VanDerWaalsContact O-CB 3.24Å; S288-A435 WeakPolarHBondContact O-CB 3.41Å; T432-A435 PolarHBondContact O-N 2.92Å; T432-A435 VanDerWaalsContact OG1-CB 3.31Å; T432-A435 WeakPolarHBondContact OG1-CB 3.23Å; T432-A435 PolarHBondContact OG1-N 2.88Å; A435-L437 PolarHBondContact O-N 3.45Å; A435-T438 PolarHBondContact O-OG1 3.1Å; A435-K439 WeakPolarHBondContact O-CB 3.21Å; A435-K439 PolarHBondContact O-N 3.11Å; A435-E466 HydrophobicContact CB-CB 4.22Å
436	A	98.4	Very high	96.4	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.008	7%	0.068	C	C	.	.	H	α-helix	trans	-62.7	-42.2	177.2	0	0	0	0	0	112	V369 V400 V402 M431 T432 T433 L440	V369-A436 HydrophobicContact CG1-CB 4Å; V369-A436 HydrophobicContact CG2-CB 3.92Å; V400-A436 HydrophobicContact CG1-CB 4.42Å; V402-A436 HydrophobicContact CG1-CB 3.69Å; M431-A436 HydrophobicContact CB-CB 4.42Å; T432-A436 WeakPolarHBondContact O-CB 3.35Å; T432-A436 PolarHBondContact O-N 2.66Å; T433-A436 PolarHBondContact O-N 3.44Å; A436-L440 VanDerWaalsContact O-CB 3.24Å; A436-L440 WeakPolarHBondContact O-CB 3.38Å; A436-L440 PolarHBondContact O-N 2.62Å
437	L	98.2	Very high	95.7	Very high	29 Å²	29	17.5 Å²	17.5	15%	0.152	10%	0.098	C	C	.	.	H	α-helix	trans	-63.6	-49.8	178.4	-177.6	68.9	0	0	0	111.1	Y224 V343 I345 V369 T433 E434 A435 L440 A441	Y224-L437 HydrophobicContact CD1-CD2 4.19Å; Y224-L437 HydrophobicContact CE1-CD2 3.9Å; V343-L437 HydrophobicContact CB-CD1 3.94Å; V343-L437 HydrophobicContact CG2-CD1 3.63Å; V343-L437 HydrophobicContact CG2-CG 4.31Å; I345-L437 HydrophobicContact CD1-CD2 3.99Å; I345-L437 HydrophobicContact CG1-CD1 4Å; I345-L437 HydrophobicContact CG1-CD2 4.34Å; V369-L437 HydrophobicContact CG2-CB 4.23Å; V369-L437 HydrophobicContact CG2-CD1 4.4Å; T433-L437 WeakPolarHBondContact O-CB 3.26Å; T433-L437 PolarHBondContact O-N 3.24Å; E434-L437 PolarHBondContact O-N 3.17Å; A435-L437 PolarHBondContact O-N 3.45Å; L437-L440 WeakPolarHBondContact O-CB 3.03Å; L437-L440 PolarHBondContact O-N 3.01Å; L437-A441 PolarHBondContact O-N 3.32Å
438	T	97.9	Very high	95	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.012	13%	0.133	C	C	.	.	H	α-helix	trans	-72.2	-34.1	-177.3	60.1	0	0	0	0	112.1	W196 S227 A228 F231 E434 A435 L440 A441 Y442	W196-T438 HydrophobicContact CH2-CG2 4.44Å; S227-T438 VanDerWaalsContact CB-OG1 3.28Å; S227-T438 WeakPolarHBondContact CB-OG1 3.45Å; A228-T438 HydrophobicContact CB-CG2 3.91Å; F231-T438 WeakPolarHBondContact CD2-OG1 3.12Å; F231-T438 WeakPolarHBondContact CE2-OG1 3.25Å; E434-T438 WeakPolarHBondContact O-CG2 3.28Å; E434-T438 PolarHBondContact O-N 2.88Å; E434-T438 VanDerWaalsContact O-N 3.08Å; E434-T438 PolarHBondContact O-OG1 3.37Å; A435-T438 PolarHBondContact O-OG1 3.1Å; T438-L440 VanDerWaalsContact C-N 3.32Å; T438-A441 PolarHBondContact O-N 3.28Å; T438-Y442 WeakPolarHBondContact O-CB 3.44Å; T438-Y442 PolarHBondContact O-N 3.04Å
439	K	98.1	Very high	93.9	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-44	171.6	-172.7	177.1	-175.8	176.8	0	111.1	F231 M431 A435 Y442 I443 L459 K461 L463 E466	F231-K439 HydrophobicContact CE1-CB 3.87Å; F231-K439 HydrophobicContact CE1-CD 4.3Å; F231-K439 HydrophobicContact CE1-CG 3.74Å; F231-K439 HydrophobicContact CE2-CB 3.77Å; F231-K439 HydrophobicContact CZ-CB 3.41Å; F231-K439 VanDerWaalsContact CZ-CB 3.41Å; F231-K439 HydrophobicContact CZ-CD 4.17Å; F231-K439 HydrophobicContact CZ-CG 3.74Å; M431-K439 HydrophobicContact CE-CD 4.42Å; M431-K439 HydrophobicContact SD-CD 3.72Å; A435-K439 WeakPolarHBondContact O-CB 3.21Å; A435-K439 PolarHBondContact O-N 3.11Å; K439-Y442 PolarHBondContact O-N 3.46Å; K439-I443 HydrophobicContact CD-CD1 4.47Å; K439-I443 HydrophobicContact CG-CD1 3.82Å; K439-I443 WeakPolarHBondContact O-CG1 3.37Å; K439-I443 PolarHBondContact O-N 3.23Å; K439-L459 HydrophobicContact CD-CD2 4.42Å; K439-L459 HydrophobicContact CG-CD2 4.4Å; K439-L459 PolarHBondContact NZ-O 2.84Å; K439-K461 PolarHBondContact NZ-O 3.5Å; K439-L463 HydrophobicContact CG-CD1 4.42Å; K439-E466 HydrophobicContact CD-CG 4.23Å; K439-E466 WeakPolarHBondContact CD-OE1 3.16Å; K439-E466 WeakPolarHBondContact CE-OE1 3.44Å; K439-E466 IonicContact NZ-OE1 2.77Å; K439-E466 PolarHBondContact NZ-OE1 3.21Å
440	L	97.6	Very high	93	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.1	-46.1	178	-172.6	59	0	0	0	111.2	V343 V368 V369 L398 V400 A436 L437 T438 Y442 I443 L444 L459	V343-L440 HydrophobicContact CG1-CD2 4.28Å; V343-L440 HydrophobicContact CG1-CG 4.03Å; V368-L440 VanDerWaalsContact N-CD2 3.35Å; V369-L440 HydrophobicContact CG2-CD2 4.27Å; L398-L440 HydrophobicContact CB-CD1 3.68Å; L398-L440 HydrophobicContact CD1-CD1 4.31Å; V400-L440 HydrophobicContact CG2-CD1 4.34Å; A436-L440 VanDerWaalsContact O-CB 3.24Å; A436-L440 WeakPolarHBondContact O-CB 3.38Å; A436-L440 PolarHBondContact O-N 2.62Å; L437-L440 WeakPolarHBondContact O-CB 3.03Å; L437-L440 PolarHBondContact O-N 3.01Å; T438-L440 VanDerWaalsContact C-N 3.32Å; L440-Y442 VanDerWaalsContact C-N 3.3Å; L440-Y442 PolarHBondContact O-N 3.25Å; L440-I443 PolarHBondContact O-N 3.37Å; L440-L444 HydrophobicContact CD1-CD1 4.2Å; L440-L444 HydrophobicContact CD1-CG 4.44Å; L440-L444 HydrophobicContact CG-CD1 4.02Å; L440-L444 WeakPolarHBondContact O-CB 3.01Å; L440-L444 VanDerWaalsContact O-CG 3.31Å; L440-L444 WeakPolarHBondContact O-CG 3.38Å; L440-L444 PolarHBondContact O-N 3.23Å; L440-L459 HydrophobicContact CD1-CD1 4.21Å; L440-L459 HydrophobicContact CD1-CD2 4.24Å
441	A	97.5	Very high	92.6	Very high	8 Å²	8	37.4 Å²	37.4	7%	0.066	19%	0.192	C	C	.	.	H	α-helix	trans	-58.3	-40.8	175.2	0	0	0	0	0	112.4	L339 C340 V343 L437 T438 S445	L339-A441 HydrophobicContact CB-CB 4.05Å; C340-A441 WeakPolarHBondContact CB-O 3.45Å; C340-A441 PolarHBondContact N-O 3.48Å; C340-A441 VanDerWaalsContact O-CB 3.31Å; C340-A441 WeakPolarHBondContact O-CB 3.33Å; V343-A441 HydrophobicContact CG1-CB 4.34Å; V343-A441 HydrophobicContact CG2-CB 4.15Å; L437-A441 PolarHBondContact O-N 3.32Å; T438-A441 PolarHBondContact O-N 3.28Å; A441-S445 PolarHBondContact O-N 2.98Å
442	Y	97.2	Very high	92.2	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-67.5	-47.7	176.8	175.2	-104.9	0	0	0	113.2	F231 E234 H336 L339 T438 K439 L440 L444 S445 K446 L463 R464	F231-Y442 HydrophobicContact CB-CD1 4.26Å; F231-Y442 HydrophobicContact CB-CD2 3.86Å; F231-Y442 HydrophobicContact CB-CE2 4.41Å; F231-Y442 HydrophobicContact CB-CG 3.75Å; F231-Y442 HydrophobicContact CD1-CD1 4.01Å; F231-Y442 HydrophobicContact CD1-CE1 4.48Å; F231-Y442 HydrophobicContact CD1-CG 4.3Å; F231-Y442 HydrophobicContact CG-CD1 4.45Å; F231-Y442 HydrophobicContact CG-CG 4.27Å; F231-Y442 VanDerWaalsContact O-CE2 3.25Å; F231-Y442 WeakPolarHBondContact O-CE2 3.33Å; E234-Y442 VanDerWaalsContact CD-OH 3.28Å; E234-Y442 PolarHBondContact OE1-OH 3.3Å; E234-Y442 PolarHBondContact OE2-OH 3.01Å; H336-Y442 HydrophobicContact CB-CD2 4.38Å; H336-Y442 HydrophobicContact CB-CE2 4.03Å; H336-Y442 AromaticContact CD2-CE2 3.71Å; H336-Y442 AromaticContact CG-CE2 3.72Å; L339-Y442 HydrophobicContact CD2-CD2 3.97Å; L339-Y442 HydrophobicContact CD2-CG 4.47Å; T438-Y442 WeakPolarHBondContact O-CB 3.44Å; T438-Y442 PolarHBondContact O-N 3.04Å; K439-Y442 PolarHBondContact O-N 3.46Å; L440-Y442 VanDerWaalsContact C-N 3.3Å; L440-Y442 PolarHBondContact O-N 3.25Å; Y442-L444 VanDerWaalsContact C-N 3.31Å; Y442-L444 PolarHBondContact O-N 2.91Å; Y442-S445 PolarHBondContact O-N 3.45Å; Y442-S445 PolarHBondContact O-OG 3.34Å; Y442-K446 WeakPolarHBondContact OH-CE 3.37Å; Y442-K446 PolarHBondContact OH-NZ 2.98Å; Y442-L463 HydrophobicContact CD1-CD1 4.23Å; Y442-L463 HydrophobicContact CE1-CD1 4.16Å; Y442-R464 PolarHBondContact OH-NH2 2.95Å
443	I	96.8	Very high	91.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-39.2	-179.8	-71	168.4	0	0	0	110.7	L398 K439 L440 S445 K446 K455 M458 L459 L463	L398-I443 HydrophobicContact CD1-CG2 4.41Å; K439-I443 HydrophobicContact CD-CD1 4.47Å; K439-I443 HydrophobicContact CG-CD1 3.82Å; K439-I443 WeakPolarHBondContact O-CG1 3.37Å; K439-I443 PolarHBondContact O-N 3.23Å; L440-I443 PolarHBondContact O-N 3.37Å; I443-S445 PolarHBondContact O-N 3.19Å; I443-K446 PolarHBondContact O-N 2.88Å; I443-K455 HydrophobicContact CG2-CB 3.65Å; I443-K455 HydrophobicContact CG2-CD 4.3Å; I443-K455 HydrophobicContact CG2-CG 3.89Å; I443-M458 HydrophobicContact CD1-CB 3.76Å; I443-M458 HydrophobicContact CG1-CB 4.02Å; I443-M458 HydrophobicContact CG1-CE 4.12Å; I443-M458 HydrophobicContact CG2-CB 4.26Å; I443-M458 HydrophobicContact CG2-SD 4.26Å; I443-L459 HydrophobicContact CD1-CB 4.36Å; I443-L459 HydrophobicContact CD1-CD2 3.53Å; I443-L459 HydrophobicContact CD1-CG 3.67Å; I443-L463 HydrophobicContact CD1-CD1 4.11Å; I443-L463 HydrophobicContact CG1-CD1 4.14Å
444	L	95.8	Very high	91.5	Very high	22 Å²	22	44.9 Å²	44.9	12%	0.115	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-30.3	178.5	-78.3	169.2	0	0	0	112.7	C340 V343 K366 L398 L440 Y442 K455	C340-L444 HydrophobicContact CB-CB 3.48Å; C340-L444 VanDerWaalsContact CB-CB 3.48Å; C340-L444 HydrophobicContact CB-CD1 4.36Å; V343-L444 HydrophobicContact CG1-CD1 3.53Å; K366-L444 HydrophobicContact CB-CD1 3.96Å; K366-L444 HydrophobicContact CB-CD2 4.02Å; L398-L444 HydrophobicContact CD1-CD2 3.62Å; L398-L444 HydrophobicContact CD1-CG 4.11Å; L398-L444 HydrophobicContact CG-CD2 4.34Å; L440-L444 HydrophobicContact CD1-CD1 4.2Å; L440-L444 HydrophobicContact CD1-CG 4.44Å; L440-L444 HydrophobicContact CG-CD1 4.02Å; L440-L444 WeakPolarHBondContact O-CB 3.01Å; L440-L444 VanDerWaalsContact O-CG 3.31Å; L440-L444 WeakPolarHBondContact O-CG 3.38Å; L440-L444 PolarHBondContact O-N 3.23Å; Y442-L444 VanDerWaalsContact C-N 3.31Å; Y442-L444 PolarHBondContact O-N 2.91Å; L444-K455 PolarHBondContact O-NZ 2.97Å
445	S	94.2	Very high	91.3	Very high	35 Å²	35	45.1 Å²	45.1	25%	0.245	24%	0.237	C	C	.	.	H	α-helix	trans	-79.2	-14.3	178.3	72.4	0	0	0	0	114.8	N338 A441 Y442 I443 T447	N338-S445 WeakPolarHBondContact O-CB 3.41Å; N338-S445 PolarHBondContact O-OG 3.05Å; A441-S445 PolarHBondContact O-N 2.98Å; Y442-S445 PolarHBondContact O-N 3.45Å; Y442-S445 PolarHBondContact O-OG 3.34Å; I443-S445 PolarHBondContact O-N 3.19Å; S445-T447 PolarHBondContact O-N 3.44Å
446	K	91.6	Very high	91	Very high	36 Å²	36	48.2 Å²	48.2	16%	0.157	25%	0.249	C	C	.	.			trans	-67.6	121.5	176.9	-65.7	-63.9	-173.3	177.7	0	111.2	E234 H336 Y442 I443 M458	E234-K446 IonicContact OE2-NZ 2.72Å; E234-K446 PolarHBondContact OE2-NZ 2.84Å; H336-K446 PolarHBondContact CE1-NZ 3.39Å; H336-K446 PolarHBondContact ND1-NZ 2.99Å; H336-K446 PolarHBondContact NE2-NZ 2.92Å; H336-K446 VanDerWaalsContact NE2-NZ 3.15Å; Y442-K446 WeakPolarHBondContact OH-CE 3.37Å; Y442-K446 PolarHBondContact OH-NZ 2.98Å; I443-K446 PolarHBondContact O-N 2.88Å; K446-M458 HydrophobicContact CG-CE 4.27Å
447	T	81.2	Confident	90.6	Very high	106 Å²	106	50.3 Å²	50.3	65%	0.65	27%	0.266	S	S	*	.	S	Bend	trans	-90.4	-20.8	-178.3	52.4	0	0	0	0	113.7	S445 K450	S445-T447 PolarHBondContact O-N 3.44Å; T447-K450 WeakPolarHBondContact O-CE 3.45Å; T447-K450 WeakPolarHBondContact O-CG 3.41Å
448	E	78.8	Confident	90.4	Very high	177 Å²	177	50.4 Å²	50.4	83%	0.827	27%	0.266	S	S	*	.	S	Bend	trans	-74.7	-37.3	179.6	-63.7	172.9	-171.5	0	0	111.6	K450	E448-K450 PolarHBondContact O-N 3.33Å
449	N	70.3	Confident	90.1	Very high	59 Å²	59	50.5 Å²	50.5	32%	0.316	27%	0.266	S	S	.	.			trans	-98.9	69.5	179.4	-64.4	-32.6	0	0	0	110.3	D451 K455 M458	N449-D451 PolarHBondContact O-N 3.38Å; N449-K455 WeakPolarHBondContact O-CE 3.37Å; N449-K455 WeakPolarHBondContact O-CG 3.47Å; N449-M458 HydrophobicContact CB-SD 4.22Å; N449-M458 PolarHBondContact ND2-SD 2.84Å
450	K	74.6	Confident	89.8	Confident	173 Å²	173	53.3 Å²	53.3	75%	0.752	28%	0.281	S	S	*	.			trans	-69.6	-31.1	-171.8	-64.8	-171	-180	177.1	0	113.8	T447 E448	T447-K450 WeakPolarHBondContact O-CE 3.45Å; T447-K450 WeakPolarHBondContact O-CG 3.41Å; E448-K450 PolarHBondContact O-N 3.33Å
451	D	86	Confident	89.4	Confident	74 Å²	74	59.3 Å²	59.3	40%	0.396	31%	0.308	S	S	.	.	S	Bend	trans	-78.4	147.4	-172.2	72.1	-78	0	0	0	112.4	N449 S453 S454 K455	N449-D451 PolarHBondContact O-N 3.38Å; D451-S453 VanDerWaalsContact C-N 3.26Å; D451-S453 PolarHBondContact O-N 2.85Å; D451-S453 WeakPolarHBondContact OD2-CB 3.42Å; D451-S453 PolarHBondContact OD2-N 3.35Å; D451-S454 PolarHBondContact O-N 3.19Å; D451-S454 WeakPolarHBondContact OD1-CB 3.5Å; D451-S454 PolarHBondContact OD1-OG 3.35Å; D451-S454 WeakPolarHBondContact OD2-CB 3.42Å; D451-S454 PolarHBondContact OD2-N 3.14Å; D451-S454 PolarHBondContact OD2-OG 3.19Å; D451-S454 VanDerWaalsContact OD2-OG 3.09Å; D451-K455 PolarHBondContact O-N 3.33Å
452	Y	88.8	Confident	89.3	Confident	65 Å²	65	60.7 Å²	60.7	26%	0.255	32%	0.316	S	S	.	.	H	α-helix	trans	-56.3	-40.4	-179.2	-178.6	-95.2	0	0	0	112.2	S393 L398 G424 K455 R456	S393-Y452 PolarHBondContact OG-OH 3.48Å; S393-Y452 VanDerWaalsContact OG-OH 3.06Å; L398-Y452 HydrophobicContact CD2-CD2 3.81Å; L398-Y452 HydrophobicContact CD2-CE2 3.55Å; L398-Y452 HydrophobicContact CG-CD2 4.4Å; L398-Y452 HydrophobicContact CG-CE2 4.18Å; G424-Y452 PolarHBondContact O-OH 3.18Å; Y452-K455 PolarHBondContact O-N 2.89Å; Y452-R456 WeakPolarHBondContact O-CB 3.27Å; Y452-R456 PolarHBondContact O-N 2.85Å
453	S	89.6	Confident	89.1	Confident	86 Å²	86	61.9 Å²	61.9	60%	0.601	32%	0.323	S	S	*	.	H	α-helix	trans	-66.8	-43.5	-177.3	-59.6	0	0	0	0	112.3	D451 R456 A457	D451-S453 VanDerWaalsContact C-N 3.26Å; D451-S453 PolarHBondContact O-N 2.85Å; D451-S453 WeakPolarHBondContact OD2-CB 3.42Å; D451-S453 PolarHBondContact OD2-N 3.35Å; S453-R456 PolarHBondContact O-N 3.31Å; S453-A457 WeakPolarHBondContact O-CB 3.31Å; S453-A457 PolarHBondContact O-N 3.47Å
454	S	92	Very high	89	Confident	41 Å²	41	63.3 Å²	63.3	29%	0.287	33%	0.328	S	S	.	.	H	α-helix	trans	-63.7	-44.1	175.8	-66	0	0	0	0	111.7	D451 R456 A457 M458	D451-S454 PolarHBondContact O-N 3.19Å; D451-S454 WeakPolarHBondContact OD1-CB 3.5Å; D451-S454 PolarHBondContact OD1-OG 3.35Å; D451-S454 WeakPolarHBondContact OD2-CB 3.42Å; D451-S454 PolarHBondContact OD2-N 3.14Å; D451-S454 PolarHBondContact OD2-OG 3.19Å; D451-S454 VanDerWaalsContact OD2-OG 3.09Å; S454-R456 VanDerWaalsContact C-N 3.32Å; S454-R456 PolarHBondContact O-N 3.2Å; S454-A457 WeakPolarHBondContact O-CB 3.43Å; S454-A457 PolarHBondContact O-N 3.21Å; S454-M458 WeakPolarHBondContact O-CG 3.43Å; S454-M458 PolarHBondContact O-N 3.18Å
455	K	93.8	Very high	89	Confident	30 Å²	30	62.3 Å²	62.3	13%	0.13	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-39.9	175.4	-68.2	-170.1	178.9	-172.2	0	111.9	L398 I443 L444 N449 D451 Y452 M458 L459	L398-K455 HydrophobicContact CD1-CB 3.61Å; L398-K455 HydrophobicContact CD1-CD 3.92Å; L398-K455 HydrophobicContact CD1-CG 4.38Å; L398-K455 HydrophobicContact CD2-CB 4.26Å; I443-K455 HydrophobicContact CG2-CB 3.65Å; I443-K455 HydrophobicContact CG2-CD 4.3Å; I443-K455 HydrophobicContact CG2-CG 3.89Å; L444-K455 PolarHBondContact O-NZ 2.97Å; N449-K455 WeakPolarHBondContact O-CE 3.37Å; N449-K455 WeakPolarHBondContact O-CG 3.47Å; D451-K455 PolarHBondContact O-N 3.33Å; Y452-K455 PolarHBondContact O-N 2.89Å; K455-M458 WeakPolarHBondContact O-CB 3.44Å; K455-M458 PolarHBondContact O-N 3.31Å; K455-L459 PolarHBondContact O-N 2.77Å; K455-L459 VanDerWaalsContact O-N 3.12Å
456	R	92	Very high	89.1	Confident	65 Å²	65	60.7 Å²	60.7	25%	0.245	31%	0.312	C	S	.	.	H	α-helix	trans	-64.3	-39.4	174.1	-169.1	170	175.7	-125.7	6.9	112.5	L398 N421 T426 Y452 S453 S454 M458 L459 L460	L398-R456 HydrophobicContact CD2-CB 4.42Å; N421-R456 PolarHBondContact O-NH2 2.89Å; N421-R456 PolarHBondContact OD1-NH2 3.34Å; T426-R456 WeakPolarHBondContact OG1-CG 3.33Å; T426-R456 PolarHBondContact OG1-NE 3.41Å; Y452-R456 WeakPolarHBondContact O-CB 3.27Å; Y452-R456 PolarHBondContact O-N 2.85Å; S453-R456 PolarHBondContact O-N 3.31Å; S454-R456 VanDerWaalsContact C-N 3.32Å; S454-R456 PolarHBondContact O-N 3.2Å; R456-M458 VanDerWaalsContact C-N 3.32Å; R456-M458 PolarHBondContact O-N 2.93Å; R456-L459 WeakPolarHBondContact O-CB 3.37Å; R456-L459 PolarHBondContact O-N 3.38Å; R456-L460 PolarHBondContact O-N 3.01Å
457	A	91	Very high	89.2	Confident	44 Å²	44	59.3 Å²	59.3	36%	0.364	31%	0.307	S	S	.	.	H	α-helix	trans	-65	-34.9	174.2	0	0	0	0	0	112.4	S453 S454 L459 L460	S453-A457 WeakPolarHBondContact O-CB 3.31Å; S453-A457 PolarHBondContact O-N 3.47Å; S454-A457 WeakPolarHBondContact O-CB 3.43Å; S454-A457 PolarHBondContact O-N 3.21Å; A457-L459 VanDerWaalsContact C-N 3.34Å; A457-L460 PolarHBondContact O-N 2.89Å
458	M	93.2	Very high	89.7	Confident	32 Å²	32	56.2 Å²	56.2	16%	0.158	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-36.1	172.7	-67.4	178.1	73.9	0	0	112.4	I443 K446 N449 S454 K455 R456 L460 K461 L463	I443-M458 HydrophobicContact CD1-CB 3.76Å; I443-M458 HydrophobicContact CG1-CB 4.02Å; I443-M458 HydrophobicContact CG1-CE 4.12Å; I443-M458 HydrophobicContact CG2-CB 4.26Å; I443-M458 HydrophobicContact CG2-SD 4.26Å; K446-M458 HydrophobicContact CG-CE 4.27Å; N449-M458 HydrophobicContact CB-SD 4.22Å; N449-M458 PolarHBondContact ND2-SD 2.84Å; S454-M458 WeakPolarHBondContact O-CG 3.43Å; S454-M458 PolarHBondContact O-N 3.18Å; K455-M458 WeakPolarHBondContact O-CB 3.44Å; K455-M458 PolarHBondContact O-N 3.31Å; R456-M458 VanDerWaalsContact C-N 3.32Å; R456-M458 PolarHBondContact O-N 2.93Å; M458-L460 VanDerWaalsContact C-N 3.27Å; M458-L460 PolarHBondContact O-N 3.45Å; M458-K461 PolarHBondContact O-N 2.97Å; M458-L463 HydrophobicContact CE-CD1 4.42Å
459	L	92.8	Very high	89.9	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.016	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-33.7	177.2	-78.3	169	0	0	0	112.7	L398 V400 T426 K439 L440 I443 K455 R456 A457 K461	L398-L459 HydrophobicContact CB-CD1 4.34Å; L398-L459 HydrophobicContact CD1-CD1 4.46Å; L398-L459 HydrophobicContact CD2-CD1 4.25Å; V400-L459 HydrophobicContact CG2-CD1 3.8Å; V400-L459 HydrophobicContact CG2-CD2 3.55Å; V400-L459 HydrophobicContact CG2-CG 4.24Å; T426-L459 HydrophobicContact CG2-CB 3.99Å; K439-L459 HydrophobicContact CD-CD2 4.42Å; K439-L459 HydrophobicContact CG-CD2 4.4Å; K439-L459 PolarHBondContact NZ-O 2.84Å; L440-L459 HydrophobicContact CD1-CD1 4.21Å; L440-L459 HydrophobicContact CD1-CD2 4.24Å; I443-L459 HydrophobicContact CD1-CB 4.36Å; I443-L459 HydrophobicContact CD1-CD2 3.53Å; I443-L459 HydrophobicContact CD1-CG 3.67Å; K455-L459 PolarHBondContact O-N 2.77Å; K455-L459 VanDerWaalsContact O-N 3.12Å; R456-L459 WeakPolarHBondContact O-CB 3.37Å; R456-L459 PolarHBondContact O-N 3.38Å; A457-L459 VanDerWaalsContact C-N 3.34Å; L459-K461 VanDerWaalsContact C-N 3.35Å
460	L	90.6	Very high	89.9	Confident	61 Å²	61	49.4 Å²	49.4	32%	0.319	26%	0.255	S	S	.	.	H	α-helix	trans	-75.9	-16.7	-179.7	-73.8	169.5	0	0	0	114.4	T426 P427 Y429 R456 A457 M458 V469	T426-L460 HydrophobicContact CG2-CD2 3.6Å; T426-L460 HydrophobicContact CG2-CG 3.79Å; P427-L460 HydrophobicContact CG-CD2 4.06Å; Y429-L460 HydrophobicContact CE2-CD2 4.29Å; R456-L460 PolarHBondContact O-N 3.01Å; A457-L460 PolarHBondContact O-N 2.89Å; M458-L460 VanDerWaalsContact C-N 3.27Å; M458-L460 PolarHBondContact O-N 3.45Å; L460-V469 WeakPolarHBondContact O-CG2 3.24Å
461	K	90.6	Very high	89.1	Confident	126 Å²	126	44.4 Å²	44.4	55%	0.548	25%	0.253	S	S	.	.	S	Bend	trans	-96.8	145.9	-178.7	-66.8	-179.9	-179.7	-176.2	0	111	K439 M458 L459 L463	K439-K461 PolarHBondContact NZ-O 3.5Å; M458-K461 PolarHBondContact O-N 2.97Å; L459-K461 VanDerWaalsContact C-N 3.35Å; K461-L463 HydrophobicContact CB-CD2 4.36Å; K461-L463 PolarHBondContact O-N 3.09Å
462	S	93.6	Very high	87.5	Confident	36 Å²	36	46.7 Å²	46.7	25%	0.252	26%	0.261	S	S	.	.			trans	-70.6	118.6	163.6	-177.1	0	0	0	0	110.1	G465 E466	S462-G465 WeakPolarHBondContact OG-CA 3.4Å; S462-G465 PolarHBondContact OG-N 3.3Å; S462-E466 PolarHBondContact OG-OE2 3.36Å
463	L	93.8	Very high	85.3	Confident	28 Å²	28	47.7 Å²	47.7	15%	0.147	27%	0.271	C	S	.	.	S	Bend	trans	-94.8	-29.4	178.5	-57.1	-179.5	0	0	0	111.9	F231 F324 K439 Y442 I443 M458 K461 E466	F231-L463 HydrophobicContact CE1-CB 4.1Å; F231-L463 HydrophobicContact CE1-CD1 4.4Å; F324-L463 WeakPolarHBondContact CE1-O 3.45Å; K439-L463 HydrophobicContact CG-CD1 4.42Å; Y442-L463 HydrophobicContact CD1-CD1 4.23Å; Y442-L463 HydrophobicContact CE1-CD1 4.16Å; I443-L463 HydrophobicContact CD1-CD1 4.11Å; I443-L463 HydrophobicContact CG1-CD1 4.14Å; M458-L463 HydrophobicContact CE-CD1 4.42Å; K461-L463 HydrophobicContact CB-CD2 4.36Å; K461-L463 PolarHBondContact O-N 3.09Å; L463-E466 PolarHBondContact N-OE1 3.48Å; L463-E466 VanDerWaalsContact N-OE1 3.1Å; L463-E466 PolarHBondContact N-OE2 3.1Å
464	R	95.1	Very high	82.7	Confident	30 Å²	30	46.4 Å²	46.4	11%	0.113	26%	0.262	C	S	.	.	S	Bend	trans	-145.8	30.4	-171.7	-60.7	-65.3	-175.5	-91.2	-3.3	112.3	S230 F231 E234 S288 Y442 E466	S230-R464 WeakPolarHBondContact O-CD 3.29Å; S230-R464 VanDerWaalsContact O-CG 3.24Å; S230-R464 WeakPolarHBondContact O-CG 3.11Å; S230-R464 PolarHBondContact O-NE 2.84Å; F231-R464 HydrophobicContact CD1-CB 4.48Å; F231-R464 HydrophobicContact CD1-CG 3.71Å; F231-R464 HydrophobicContact CE1-CB 4.21Å; F231-R464 HydrophobicContact CE1-CG 3.88Å; F231-R464 HydrophobicContact CG-CG 4.41Å; E234-R464 VanDerWaalsContact CB-NH2 3.28Å; E234-R464 VanDerWaalsContact CD-NH2 3.31Å; E234-R464 VanDerWaalsContact CG-NH2 3.25Å; E234-R464 IonicContact OE1-CZ 2.62Å; E234-R464 IonicContact OE1-NH1 3.52Å; E234-R464 IonicContact OE1-NH2 3.93Å; E234-R464 PolarHBondContact OE1-NH2 3.4Å; S288-R464 PolarHBondContact OG-O 2.98Å; Y442-R464 PolarHBondContact OH-NH2 2.95Å; R464-E466 PolarHBondContact N-OE2 3.45Å; R464-E466 PolarHBondContact O-N 3.1Å
465	G	94.5	Very high	80.3	Confident	2 Å²	2	52.2 Å²	52.2	2%	0.021	28%	0.277	C	S	.	.	S	Bend	trans	69.1	12.8	-179.8	0	0	0	0	0	115.2	R286 R289 F324 S462 V467	R286-G465 WeakPolarHBondContact CD-O 3.26Å; R286-G465 PolarHBondContact NH1-O 2.81Å; R286-G465 VanDerWaalsContact NH1-O 3.1Å; R289-G465 PolarHBondContact NE-O 2.8Å; R289-G465 PolarHBondContact NH2-O 2.85Å; F324-G465 VanDerWaalsContact CD2-N 3.27Å; F324-G465 VanDerWaalsContact CE2-N 3.25Å; S462-G465 WeakPolarHBondContact OG-CA 3.4Å; S462-G465 PolarHBondContact OG-N 3.3Å; G465-V467 VanDerWaalsContact C-N 3.33Å; G465-V467 PolarHBondContact O-N 3.24Å
466	E	96.9	Very high	77.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.309	C	S	.	.			trans	-74.8	-16.9	-174.1	79	-74	-171	0	0	114.5	F231 R289 M431 A435 K439 S462 L463 R464	F231-E466 HydrophobicContact CZ-CB 4.31Å; F231-E466 HydrophobicContact CZ-CG 3.99Å; R289-E466 WeakPolarHBondContact CD-O 3.43Å; R289-E466 VanDerWaalsContact CZ-C 3.49Å; R289-E466 PolarHBondContact NE-O 3.49Å; R289-E466 VanDerWaalsContact NE-O 3.14Å; M431-E466 HydrophobicContact CG-CG 4.11Å; M431-E466 HydrophobicContact SD-CG 3.8Å; A435-E466 HydrophobicContact CB-CB 4.22Å; K439-E466 HydrophobicContact CD-CG 4.23Å; K439-E466 WeakPolarHBondContact CD-OE1 3.16Å; K439-E466 WeakPolarHBondContact CE-OE1 3.44Å; K439-E466 IonicContact NZ-OE1 2.77Å; K439-E466 PolarHBondContact NZ-OE1 3.21Å; S462-E466 PolarHBondContact OG-OE2 3.36Å; L463-E466 PolarHBondContact N-OE1 3.48Å; L463-E466 VanDerWaalsContact N-OE1 3.1Å; L463-E466 PolarHBondContact N-OE2 3.1Å; R464-E466 PolarHBondContact N-OE2 3.45Å; R464-E466 PolarHBondContact O-N 3.1Å
467	V	95	Very high	74.6	Confident	7 Å²	7	54 Å²	54	4%	0.042	31%	0.311	C	S	.	.			trans	-142.3	142	-173.2	66.7	0	0	0	0	110.7	R289 Y429 D430 M431 G465 V469	R289-V467 PolarHBondContact NH2-O 2.97Å; Y429-V467 HydrophobicContact CD2-CG2 3.87Å; Y429-V467 HydrophobicContact CG-CG2 4.23Å; D430-V467 WeakPolarHBondContact OD1-CA 3.42Å; M431-V467 HydrophobicContact CG-CB 3.52Å; M431-V467 HydrophobicContact CG-CG2 3.75Å; M431-V467 HydrophobicContact SD-CB 4.19Å; G465-V467 VanDerWaalsContact C-N 3.33Å; G465-V467 PolarHBondContact O-N 3.24Å; V467-V469 HydrophobicContact CG1-CG2 4.2Å
468	T	91.2	Very high	71.9	Confident	41 Å²	41	54.7 Å²	54.7	25%	0.252	31%	0.309	S	S	.	.			trans	-105	110.2	170.4	-80.7	0	0	0	0	107.9	R289 D430 D473	R289-T468 VanDerWaalsContact NH2-N 3.15Å; R289-T468 PolarHBondContact NH2-OG1 3.05Å; D430-T468 PolarHBondContact OD1-N 3.49Å; D430-T468 WeakPolarHBondContact OD2-CB 3.11Å; T468-D473 WeakPolarHBondContact CA-OD2 3.44Å; T468-D473 WeakPolarHBondContact CB-OD2 3.29Å; T468-D473 HydrophobicContact CG2-CB 4.05Å; T468-D473 WeakPolarHBondContact CG2-OD2 3.4Å; T468-D473 PolarHBondContact OG1-OD2 3.36Å
469	V	82.9	Confident	69.3	Low	13 Å²	13	57.7 Å²	57.7	8%	0.079	33%	0.326	C	S	.	.			trans	-86.2	128.7	-177.7	-177.2	0	0	0	0	109.1	Y429 L460 V467 G471 E472	Y429-V469 HydrophobicContact CD2-CG2 4.3Å; Y429-V469 HydrophobicContact CE2-CB 4.45Å; Y429-V469 HydrophobicContact CE2-CG1 3.95Å; Y429-V469 HydrophobicContact CE2-CG2 4.19Å; L460-V469 WeakPolarHBondContact O-CG2 3.24Å; V467-V469 HydrophobicContact CG1-CG2 4.2Å; V469-G471 PolarHBondContact O-N 2.98Å; V469-E472 HydrophobicContact CB-CB 4.26Å; V469-E472 HydrophobicContact CB-CG 4.33Å; V469-E472 HydrophobicContact CG1-CG 4.26Å; V469-E472 PolarHBondContact O-N 3.3Å; V469-E472 VanDerWaalsContact O-N 3.16Å
470	E	70.4	Confident	66.5	Low	80 Å²	80	62.2 Å²	62.2	37%	0.374	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	124.4	178.5	-61.2	-167.5	137.8	0	0	110.9	K411 Y429	K411-E470 WeakPolarHBondContact CD-OE1 3.49Å; K411-E470 WeakPolarHBondContact CE-OE1 3.43Å; K411-E470 IonicContact NZ-OE1 3.53Å; K411-E470 PolarHBondContact NZ-OE1 3.38Å; Y429-E470 HydrophobicContact CD1-CG 4.22Å; Y429-E470 HydrophobicContact CE1-CG 4.36Å
471	G	56.3	Low	63.9	Low	69 Å²	69	64.8 Å²	64.8	71%	0.711	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	-16.7	-179.1	0	0	0	0	0	115.5	V469	V469-G471 PolarHBondContact O-N 2.98Å
472	E	53.4	Low	61.2	Low	121 Å²	121	63.4 Å²	63.4	57%	0.565	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-26	174	-66.4	-169.8	153	0	0	112.3	V469 S474	V469-E472 HydrophobicContact CB-CB 4.26Å; V469-E472 HydrophobicContact CB-CG 4.33Å; V469-E472 HydrophobicContact CG1-CG 4.26Å; V469-E472 PolarHBondContact O-N 3.3Å; V469-E472 VanDerWaalsContact O-N 3.16Å; E472-S474 VanDerWaalsContact C-N 3.31Å; E472-S474 PolarHBondContact O-N 2.85Å
473	D	42.8	Very low	58.5	Low	86 Å²	86	67.5 Å²	67.5	46%	0.46	38%	0.382	S	S	.	.			trans	-90.6	35.3	-177.7	-80.1	-11.3	0	0	0	114.9	T468 R475	T468-D473 WeakPolarHBondContact CA-OD2 3.44Å; T468-D473 WeakPolarHBondContact CB-OD2 3.29Å; T468-D473 HydrophobicContact CG2-CB 4.05Å; T468-D473 WeakPolarHBondContact CG2-OD2 3.4Å; T468-D473 PolarHBondContact OG1-OD2 3.36Å; D473-R475 PolarHBondContact O-N 3.35Å; D473-R475 VanDerWaalsContact O-N 3.15Å
474	S	34.1	Very low	55.9	Low	60 Å²	60	69.8 Å²	69.8	42%	0.42	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-7.7	166.8	-45.7	0	0	0	0	113.1	E472 A477 N478	E472-S474 VanDerWaalsContact C-N 3.31Å; E472-S474 PolarHBondContact O-N 2.85Å; S474-A477 PolarHBondContact O-N 2.86Å; S474-N478 PolarHBondContact O-N 3.29Å; S474-N478 VanDerWaalsContact O-N 3.08Å; S474-N478 PolarHBondContact O-ND2 2.9Å; S474-N478 PolarHBondContact O-OD1 3.28Å
475	R	41.7	Very low	53.2	Low	162 Å²	162	74.8 Å²	74.8	61%	0.611	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-32.8	-171.2	-66.5	-176.4	-177.3	170.3	3.8	113.7	D473 A477	D473-R475 PolarHBondContact O-N 3.35Å; D473-R475 VanDerWaalsContact O-N 3.15Å; R475-A477 VanDerWaalsContact C-N 3.32Å
476	A	36.3	Very low	50.7	Low	96 Å²	96	80.7 Å²	80.7	79%	0.793	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-24.9	170.5	0	0	0	0	0	112.3
477	A	31.3	Very low	47.7	Very low	36 Å²	36	85.4 Å²	85.4	30%	0.298	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-17.3	176.7	0	0	0	0	0	113.6	S474 R475 L479 S480 L481	S474-A477 PolarHBondContact O-N 2.86Å; R475-A477 VanDerWaalsContact C-N 3.32Å; A477-L479 VanDerWaalsContact C-N 3.27Å; A477-L479 PolarHBondContact O-N 3.38Å; A477-S480 PolarHBondContact O-N 3.5Å; A477-S480 PolarHBondContact O-OG 3.41Å; A477-L481 HydrophobicContact CB-CD1 4.24Å; A477-L481 PolarHBondContact O-N 3.01Å
478	N	34.2	Very low	45	Very low	60 Å²	60	92.3 Å²	92.3	32%	0.321	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.1	-174.9	-76.1	-21.1	0	0	0	114.4	S474 S480	S474-N478 PolarHBondContact O-N 3.29Å; S474-N478 VanDerWaalsContact O-N 3.08Å; S474-N478 PolarHBondContact O-ND2 2.9Å; S474-N478 PolarHBondContact O-OD1 3.28Å; N478-S480 VanDerWaalsContact C-N 3.34Å
479	L	37.6	Very low	42.5	Very low	95 Å²	95	99.3 Å²	99.3	50%	0.497	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74	-28.4	171.1	-142.3	88.3	0	0	0	112	A477 I543	A477-L479 VanDerWaalsContact C-N 3.27Å; A477-L479 PolarHBondContact O-N 3.38Å; L479-I543 WeakPolarHBondContact CD1-O 3.33Å
480	S	35	Very low	40.6	Very low	97 Å²	97	105.6 Å²	105.6	68%	0.678	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-15.1	-179	70.3	0	0	0	0	114.3	A477 N478	A477-S480 PolarHBondContact O-N 3.5Å; A477-S480 PolarHBondContact O-OG 3.41Å; N478-S480 VanDerWaalsContact C-N 3.34Å
481	L	34.3	Very low	39.5	Very low	116 Å²	116	114.1 Å²	114.1	61%	0.607	62%	0.619	S	S	*	*			trans	-119	30	-171.6	-79.9	164.8	0	0	0	113.4	A477 N483	A477-L481 HydrophobicContact CB-CD1 4.24Å; A477-L481 PolarHBondContact O-N 3.01Å; L481-N483 PolarHBondContact O-N 2.87Å
482	Y	35.4	Very low	39.6	Very low	97 Å²	97	113.5 Å²	113.5	38%	0.38	60%	0.599	S	S	.	*			trans	-64.2	80.7	169.2	-126	-83	0	0	0	109.7	T484 A498 I543	Y482-T484 PolarHBondContact O-N 3.22Å; Y482-T484 VanDerWaalsContact O-N 3.11Å; Y482-A498 HydrophobicContact CE2-CB 4.3Å; Y482-I543 HydrophobicContact CE2-CG1 4.21Å
483	N	35.9	Very low	39.9	Very low	121 Å²	121	112.9 Å²	112.9	65%	0.647	60%	0.599	S	S	*	*			trans	-75.1	102.9	179.8	-142.4	-6.5	0	0	0	106	L481 N485	L481-N483 PolarHBondContact O-N 2.87Å; N483-N485 PolarHBondContact O-N 3.45Å
484	T	38.8	Very low	40.4	Very low	77 Å²	77	109.1 Å²	109.1	47%	0.472	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59	11.5	-173.9	26.3	0	0	0	0	116.1	Y482 L487	Y482-T484 PolarHBondContact O-N 3.22Å; Y482-T484 VanDerWaalsContact O-N 3.11Å; T484-L487 WeakPolarHBondContact O-CD1 3.39Å
485	N	39.6	Very low	41.4	Very low	134 Å²	134	108.9 Å²	108.9	72%	0.717	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	1.9	-167.2	-66.9	-13.7	0	0	0	115	N483	N483-N485 PolarHBondContact O-N 3.45Å
486	C	40.7	Very low	42.2	Very low	126 Å²	126	108.6 Å²	108.6	85%	0.851	57%	0.572	S	S	*	*			trans	-101.9	19	175.2	-64.9	0	0	0	0	114	N488	C486-N488 PolarHBondContact O-N 2.9Å; C486-N488 VanDerWaalsContact O-N 3.16Å
487	L	35.7	Very low	43.5	Very low	100 Å²	100	106 Å²	106	52%	0.524	54%	0.543	S	S	.	.			trans	-84.8	84.3	-174.2	-68.6	169.4	0	0	0	112.3	T484 I495	T484-L487 WeakPolarHBondContact O-CD1 3.39Å; L487-I495 HydrophobicContact CD2-CG2 4.02Å
488	N	36.5	Very low	44.7	Very low	151 Å²	151	104.5 Å²	104.5	81%	0.807	53%	0.531	S	S	*	.			trans	-95.8	107	161.9	-79.4	-20.9	0	0	0	110.6	C486 D490	C486-N488 PolarHBondContact O-N 2.9Å; C486-N488 VanDerWaalsContact O-N 3.16Å; N488-D490 PolarHBondContact O-N 3.19Å
489	Q	40.1	Very low	45.8	Very low	189 Å²	189	107.4 Å²	107.4	88%	0.883	54%	0.541	S	S	*	.	S	Bend	trans	62.7	-12.1	146.7	-67	-175	-12.5	0	0	124.2
490	D	43	Very low	46.8	Very low	144 Å²	144	106.2 Å²	106.2	77%	0.77	53%	0.534	S	S	*	.			trans	-101.2	111.6	176.9	-73.5	-32.9	0	0	0	114	N488 N492	N488-D490 PolarHBondContact O-N 3.19Å; D490-N492 VanDerWaalsContact C-N 3.34Å; D490-N492 PolarHBondContact O-N 3.12Å
491	R	46.9	Very low	47.9	Very low	260 Å²	260	103 Å²	103	98%	0.981	51%	0.508	S	S	*	.			trans	-71.2	77.8	177.6	-67.3	-179.1	178.6	-177.3	-0.6	111.3
492	N	58.2	Low	49	Very low	55 Å²	55	99.2 Å²	99.2	29%	0.294	49%	0.491	S	S	.	.			trans	-88.5	128.5	173.3	-167.3	-26.4	0	0	0	111.1	D490 M494 I495 Y496 E539	D490-N492 VanDerWaalsContact C-N 3.34Å; D490-N492 PolarHBondContact O-N 3.12Å; N492-M494 PolarHBondContact O-N 3.29Å; N492-M494 VanDerWaalsContact O-N 3.12Å; N492-M494 PolarHBondContact OD1-N 3.1Å; N492-M494 VanDerWaalsContact OD1-N 3.09Å; N492-I495 HydrophobicContact CB-CD1 4.19Å; N492-I495 HydrophobicContact CB-CG1 4.29Å; N492-I495 WeakPolarHBondContact O-CB 3.21Å; N492-I495 PolarHBondContact O-N 3.32Å; N492-Y496 PolarHBondContact O-N 3.49Å; N492-E539 VanDerWaalsContact ND2-CD 3.25Å; N492-E539 PolarHBondContact ND2-OE1 2.61Å; N492-E539 VanDerWaalsContact ND2-OE1 3.07Å; N492-E539 PolarHBondContact ND2-OE2 3.43Å
493	L	59.2	Low	49.9	Very low	109 Å²	109	98 Å²	98	57%	0.571	49%	0.494	S	S	*	.	H	α-helix	trans	-52.2	-32.7	177.3	-163.4	84.8	0	0	0	111.8	I495 Y496 F497	L493-I495 PolarHBondContact O-N 2.86Å; L493-Y496 WeakPolarHBondContact O-CB 3.29Å; L493-Y496 PolarHBondContact O-N 3.3Å; L493-F497 HydrophobicContact CD2-CD2 4.22Å; L493-F497 HydrophobicContact CD2-CE2 3.5Å; L493-F497 HydrophobicContact CD2-CZ 4.34Å; L493-F497 HydrophobicContact CG-CD2 4.04Å; L493-F497 HydrophobicContact CG-CE2 3.67Å; L493-F497 HydrophobicContact CG-CZ 4.49Å; L493-F497 VanDerWaalsContact O-CD2 3.27Å; L493-F497 WeakPolarHBondContact O-CD2 3.34Å; L493-F497 PolarHBondContact O-N 3.02Å
494	M	55	Low	50.7	Low	6 Å²	6	94 Å²	94	3%	0.03	47%	0.474	C	S	.	.	H	α-helix	trans	-65.9	-34.4	177	-74.9	-55.8	-50.8	0	0	113.4	N492 F497 A498 L524 M540 I543	N492-M494 PolarHBondContact O-N 3.29Å; N492-M494 VanDerWaalsContact O-N 3.12Å; N492-M494 PolarHBondContact OD1-N 3.1Å; N492-M494 VanDerWaalsContact OD1-N 3.09Å; M494-F497 PolarHBondContact O-N 3.19Å; M494-A498 WeakPolarHBondContact O-CB 3.31Å; M494-A498 PolarHBondContact O-N 3.45Å; M494-L524 HydrophobicContact SD-CD1 4.35Å; M494-M540 HydrophobicContact CE-CB 4.5Å; M494-M540 HydrophobicContact CE-CE 4.44Å; M494-M540 HydrophobicContact CE-CG 3.43Å; M494-M540 VanDerWaalsContact CE-CG 3.43Å; M494-M540 HydrophobicContact CE-SD 4.44Å; M494-M540 HydrophobicContact SD-CG 3.98Å; M494-M540 HydrophobicContact SD-SD 4.4Å; M494-I543 HydrophobicContact CE-CD1 4.02Å
495	I	54.1	Low	51.4	Low	55 Å²	55	93.9 Å²	93.9	28%	0.282	48%	0.477	S	S	.	.	H	α-helix	trans	-71	-36.5	174.8	-62.6	172.8	0	0	0	110.1	L487 N492 L493 A498 K499	L487-I495 HydrophobicContact CD2-CG2 4.02Å; N492-I495 HydrophobicContact CB-CD1 4.19Å; N492-I495 HydrophobicContact CB-CG1 4.29Å; N492-I495 WeakPolarHBondContact O-CB 3.21Å; N492-I495 PolarHBondContact O-N 3.32Å; L493-I495 PolarHBondContact O-N 2.86Å; I495-A498 PolarHBondContact O-N 2.83Å; I495-K499 WeakPolarHBondContact O-CB 3.43Å; I495-K499 PolarHBondContact O-N 2.98Å
496	Y	58.3	Low	52	Low	157 Å²	157	94.4 Å²	94.4	62%	0.616	48%	0.479	S	S	*	.	H	α-helix	trans	-63.1	-45.4	173.8	-173.3	-94.1	0	0	0	110.8	N492 L493 K499 L500	N492-Y496 PolarHBondContact O-N 3.49Å; L493-Y496 WeakPolarHBondContact O-CB 3.29Å; L493-Y496 PolarHBondContact O-N 3.3Å; Y496-K499 PolarHBondContact O-N 2.7Å; Y496-L500 HydrophobicContact CE1-CD1 4.04Å; Y496-L500 WeakPolarHBondContact O-CB 3.44Å; Y496-L500 PolarHBondContact O-N 3.27Å
497	F	64.5	Low	52.7	Low	42 Å²	42	95.1 Å²	95.1	18%	0.184	47%	0.474	C	S	.	.	H	α-helix	trans	-62.3	-46.6	173.3	-77.8	-50.6	0	0	0	111.8	L493 M494 K499 L500 F501 L524	L493-F497 HydrophobicContact CD2-CD2 4.22Å; L493-F497 HydrophobicContact CD2-CE2 3.5Å; L493-F497 HydrophobicContact CD2-CZ 4.34Å; L493-F497 HydrophobicContact CG-CD2 4.04Å; L493-F497 HydrophobicContact CG-CE2 3.67Å; L493-F497 HydrophobicContact CG-CZ 4.49Å; L493-F497 VanDerWaalsContact O-CD2 3.27Å; L493-F497 WeakPolarHBondContact O-CD2 3.34Å; L493-F497 PolarHBondContact O-N 3.02Å; M494-F497 PolarHBondContact O-N 3.19Å; F497-K499 VanDerWaalsContact C-N 3.28Å; F497-K499 PolarHBondContact O-N 3.04Å; F497-L500 CarbonylContact O-C 3.4Å; F497-L500 WeakPolarHBondContact O-CA 3.27Å; F497-L500 WeakPolarHBondContact O-CB 3.39Å; F497-L500 PolarHBondContact O-N 3.28Å; F497-F501 VanDerWaalsContact C-CE2 3.47Å; F497-F501 HydrophobicContact CB-CD2 4.32Å; F497-F501 HydrophobicContact CB-CE1 4.41Å; F497-F501 HydrophobicContact CB-CE2 3.54Å; F497-F501 HydrophobicContact CB-CZ 3.61Å; F497-F501 HydrophobicContact CD1-CZ 4.25Å; F497-F501 HydrophobicContact CG-CZ 4.17Å; F497-F501 WeakPolarHBondContact O-CB 3.15Å; F497-F501 WeakPolarHBondContact O-CD1 3.37Å; F497-F501 WeakPolarHBondContact O-CD2 3.3Å; F497-F501 WeakPolarHBondContact O-CE2 3.07Å; F497-F501 WeakPolarHBondContact O-CG 3.36Å; F497-F501 PolarHBondContact O-N 2.92Å; F497-L524 HydrophobicContact CD2-CD1 4.09Å; F497-L524 HydrophobicContact CE2-CD1 3.79Å
498	A	56.1	Low	53.8	Low	4 Å²	4	92.3 Å²	92.3	3%	0.033	46%	0.459	C	S	.	.	H	α-helix	trans	-55.2	-41.9	175	0	0	0	0	0	112.8	Y482 M494 I495 F501 S502 I543	Y482-A498 HydrophobicContact CE2-CB 4.3Å; M494-A498 WeakPolarHBondContact O-CB 3.31Å; M494-A498 PolarHBondContact O-N 3.45Å; I495-A498 PolarHBondContact O-N 2.83Å; A498-F501 WeakPolarHBondContact O-CB 3.31Å; A498-F501 PolarHBondContact O-N 3.44Å; A498-S502 PolarHBondContact O-N 2.9Å; A498-I543 HydrophobicContact CB-CD1 3.87Å; A498-I543 HydrophobicContact CB-CG1 4.26Å; A498-I543 HydrophobicContact CB-CG2 4.45Å
499	K	56.2	Low	54.7	Low	121 Å²	121	90.9 Å²	90.9	53%	0.526	46%	0.461	S	S	.	.	H	α-helix	trans	-69.2	-40.9	175.4	-167.3	173.3	-175.9	177.1	0	111.9	I495 Y496 F497 F501 S502 T503	I495-K499 WeakPolarHBondContact O-CB 3.43Å; I495-K499 PolarHBondContact O-N 2.98Å; Y496-K499 PolarHBondContact O-N 2.7Å; F497-K499 VanDerWaalsContact C-N 3.28Å; F497-K499 PolarHBondContact O-N 3.04Å; K499-F501 PolarHBondContact O-N 3.3Å; K499-S502 PolarHBondContact O-N 3.41Å; K499-S502 PolarHBondContact O-OG 2.89Å; K499-S502 VanDerWaalsContact O-OG 3.04Å; K499-T503 WeakPolarHBondContact O-CG2 3.25Å; K499-T503 PolarHBondContact O-N 3.44Å; K499-T503 PolarHBondContact O-OG1 3.3Å
500	L	59.3	Low	55.5	Low	70 Å²	70	89.2 Å²	89.2	37%	0.366	45%	0.453	S	S	.	.	H	α-helix	trans	-59.7	-39.2	172.8	-152.4	93.3	0	0	0	110.3	Y496 F497 T503 T504	Y496-L500 HydrophobicContact CE1-CD1 4.04Å; Y496-L500 WeakPolarHBondContact O-CB 3.44Å; Y496-L500 PolarHBondContact O-N 3.27Å; F497-L500 CarbonylContact O-C 3.4Å; F497-L500 WeakPolarHBondContact O-CA 3.27Å; F497-L500 WeakPolarHBondContact O-CB 3.39Å; F497-L500 PolarHBondContact O-N 3.28Å; L500-T503 WeakPolarHBondContact CA-OG1 3.36Å; L500-T503 PolarHBondContact O-N 3.49Å; L500-T503 PolarHBondContact O-OG1 3.14Å; L500-T504 VanDerWaalsContact O-CB 3.3Å; L500-T504 WeakPolarHBondContact O-CB 3.28Å; L500-T504 VanDerWaalsContact O-CG2 3.26Å; L500-T504 WeakPolarHBondContact O-CG2 3.24Å; L500-T504 PolarHBondContact O-N 2.96Å; L500-T504 PolarHBondContact O-OG1 3.06Å
501	F	58.7	Low	56.4	Low	29 Å²	29	83.9 Å²	83.9	13%	0.127	43%	0.433	C	S	.	.	H	α-helix	trans	-68.5	-44.3	179.3	-57.6	-34.1	0	0	0	112.5	F497 A498 K499 T503 T504 S505 V517 I521	F497-F501 VanDerWaalsContact C-CE2 3.47Å; F497-F501 HydrophobicContact CB-CD2 4.32Å; F497-F501 HydrophobicContact CB-CE1 4.41Å; F497-F501 HydrophobicContact CB-CE2 3.54Å; F497-F501 HydrophobicContact CB-CZ 3.61Å; F497-F501 HydrophobicContact CD1-CZ 4.25Å; F497-F501 HydrophobicContact CG-CZ 4.17Å; F497-F501 WeakPolarHBondContact O-CB 3.15Å; F497-F501 WeakPolarHBondContact O-CD1 3.37Å; F497-F501 WeakPolarHBondContact O-CD2 3.3Å; F497-F501 WeakPolarHBondContact O-CE2 3.07Å; F497-F501 WeakPolarHBondContact O-CG 3.36Å; F497-F501 PolarHBondContact O-N 2.92Å; A498-F501 WeakPolarHBondContact O-CB 3.31Å; A498-F501 PolarHBondContact O-N 3.44Å; K499-F501 PolarHBondContact O-N 3.3Å; F501-T503 VanDerWaalsContact C-N 3.32Å; F501-T503 PolarHBondContact O-N 3.29Å; F501-T504 WeakPolarHBondContact CA-OG1 3.05Å; F501-T504 PolarHBondContact O-N 3.47Å; F501-T504 PolarHBondContact O-OG1 3.46Å; F501-S505 WeakPolarHBondContact O-CB 3.07Å; F501-S505 PolarHBondContact O-N 3.39Å; F501-S505 PolarHBondContact O-OG 2.88Å; F501-V517 HydrophobicContact CD1-CB 4.38Å; F501-V517 HydrophobicContact CD1-CG1 4.34Å; F501-V517 HydrophobicContact CD1-CG2 3.26Å; F501-V517 HydrophobicContact CE1-CB 4.01Å; F501-V517 HydrophobicContact CE1-CG1 3.99Å; F501-V517 HydrophobicContact CE1-CG2 3.21Å; F501-V517 HydrophobicContact CG-CG2 4.25Å; F501-V517 HydrophobicContact CZ-CG1 4.16Å; F501-V517 HydrophobicContact CZ-CG2 4.17Å; F501-I521 HydrophobicContact CE2-CD1 3.79Å; F501-I521 HydrophobicContact CE2-CG1 4.39Å; F501-I521 HydrophobicContact CZ-CD1 3.83Å; F501-I521 HydrophobicContact CZ-CG1 4.04Å
502	S	55.9	Low	57	Low	36 Å²	36	75 Å²	75	25%	0.252	40%	0.404	S	S	.	.	H	α-helix	trans	-64.7	-38.6	175.5	66.1	0	0	0	0	111.5	A498 K499 S505	A498-S502 PolarHBondContact O-N 2.9Å; K499-S502 PolarHBondContact O-N 3.41Å; K499-S502 PolarHBondContact O-OG 2.89Å; K499-S502 VanDerWaalsContact O-OG 3.04Å; S502-S505 PolarHBondContact O-OG 2.81Å; S502-S505 VanDerWaalsContact O-OG 3.09Å
503	T	55.6	Low	56.9	Low	72 Å²	72	73 Å²	73	44%	0.442	40%	0.397	S	S	.	.	H	α-helix	trans	-73.4	-36.3	176.6	53.9	0	0	0	0	113.8	K499 L500 F501	K499-T503 WeakPolarHBondContact O-CG2 3.25Å; K499-T503 PolarHBondContact O-N 3.44Å; K499-T503 PolarHBondContact O-OG1 3.3Å; L500-T503 WeakPolarHBondContact CA-OG1 3.36Å; L500-T503 PolarHBondContact O-N 3.49Å; L500-T503 PolarHBondContact O-OG1 3.14Å; F501-T503 VanDerWaalsContact C-N 3.32Å; F501-T503 PolarHBondContact O-N 3.29Å
504	T	52.6	Low	57	Low	37 Å²	37	70.6 Å²	70.6	23%	0.227	39%	0.389	C	S	.	.	H	α-helix	trans	-73.7	-40.2	179.8	44.8	0	0	0	0	110.9	L500 F501 L506 D507 D508	L500-T504 VanDerWaalsContact O-CB 3.3Å; L500-T504 WeakPolarHBondContact O-CB 3.28Å; L500-T504 VanDerWaalsContact O-CG2 3.26Å; L500-T504 WeakPolarHBondContact O-CG2 3.24Å; L500-T504 PolarHBondContact O-N 2.96Å; L500-T504 PolarHBondContact O-OG1 3.06Å; F501-T504 WeakPolarHBondContact CA-OG1 3.05Å; F501-T504 PolarHBondContact O-N 3.47Å; F501-T504 PolarHBondContact O-OG1 3.46Å; T504-L506 PolarHBondContact O-N 3.33Å; T504-D507 PolarHBondContact O-N 3.19Å; T504-D508 WeakPolarHBondContact O-CA 3.5Å; T504-D508 WeakPolarHBondContact O-CB 3.42Å; T504-D508 PolarHBondContact O-N 2.87Å
505	S	53.9	Low	57.4	Low	75 Å²	75	73.5 Å²	73.5	52%	0.524	40%	0.403	S	S	.	.	H	α-helix	trans	-57.9	-21.1	179	69.1	0	0	0	0	115.3	F501 S502	F501-S505 WeakPolarHBondContact O-CB 3.07Å; F501-S505 PolarHBondContact O-N 3.39Å; F501-S505 PolarHBondContact O-OG 2.88Å; S502-S505 PolarHBondContact O-OG 2.81Å; S502-S505 VanDerWaalsContact O-OG 3.09Å
506	L	52.5	Low	57.8	Low	145 Å²	145	77.8 Å²	77.8	76%	0.759	42%	0.416	S	S	*	.	H	α-helix	trans	-88.7	-26.4	178.5	-70.6	166.3	0	0	0	113.6	T504	T504-L506 PolarHBondContact O-N 3.33Å
507	D	54.2	Low	58.1	Low	141 Å²	141	71.9 Å²	71.9	75%	0.754	40%	0.396	S	S	*	.	H	α-helix	trans	-120.8	-0.1	-175.1	-74	-32.3	0	0	0	114	T504 S509	T504-D507 PolarHBondContact O-N 3.19Å; D507-S509 PolarHBondContact O-N 3.43Å
508	D	60.1	Low	58.1	Low	41 Å²	41	76.5 Å²	76.5	22%	0.219	42%	0.418	C	S	.	.			trans	-79.9	57.3	-176	-167.9	32.1	0	0	0	112.6	T504 E510 G511 I512 G513 S514	T504-D508 WeakPolarHBondContact O-CA 3.5Å; T504-D508 WeakPolarHBondContact O-CB 3.42Å; T504-D508 PolarHBondContact O-N 2.87Å; D508-E510 PolarHBondContact O-N 2.91Å; D508-E510 VanDerWaalsContact O-N 3.16Å; D508-G511 VanDerWaalsContact CG-C 3.48Å; D508-G511 PolarHBondContact O-N 2.94Å; D508-G511 VanDerWaalsContact OD1-C 3.27Å; D508-G511 WeakPolarHBondContact OD1-CA 2.97Å; D508-G511 PolarHBondContact OD1-N 3.3Å; D508-G511 VanDerWaalsContact OD1-N 3.11Å; D508-G511 WeakPolarHBondContact OD2-CA 2.96Å; D508-I512 PolarHBondContact OD1-N 3.38Å; D508-I512 PolarHBondContact OD2-N 3.01Å; D508-G513 PolarHBondContact OD1-N 3.36Å; D508-G513 WeakPolarHBondContact OD2-CA 3.25Å; D508-G513 PolarHBondContact OD2-N 3.16Å; D508-S514 PolarHBondContact OD2-N 3.43Å
509	S	53.3	Low	58.9	Low	121 Å²	121	84.2 Å²	84.2	85%	0.846	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.3	175.3	57.6	0	0	0	0	113.4	D507	D507-S509 PolarHBondContact O-N 3.43Å
510	E	57.8	Low	60	Low	153 Å²	153	81.4 Å²	81.4	72%	0.715	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-4.6	177.2	-63.8	-170.7	164.9	0	0	113.7	D508 I512	D508-E510 PolarHBondContact O-N 2.91Å; D508-E510 VanDerWaalsContact O-N 3.16Å; E510-I512 HydrophobicContact CB-CD1 3.98Å; E510-I512 HydrophobicContact CB-CG1 3.92Å; E510-I512 PolarHBondContact O-N 2.99Å; E510-I512 WeakPolarHBondContact OE2-CD1 3.38Å
511	G	62.1	Low	61.2	Low	33 Å²	33	78.5 Å²	78.5	34%	0.34	42%	0.421	S	S	.	.	S	Bend	trans	67.5	10.3	-178.8	0	0	0	0	0	115	D508 M515	D508-G511 VanDerWaalsContact CG-C 3.48Å; D508-G511 PolarHBondContact O-N 2.94Å; D508-G511 VanDerWaalsContact OD1-C 3.27Å; D508-G511 WeakPolarHBondContact OD1-CA 2.97Å; D508-G511 PolarHBondContact OD1-N 3.3Å; D508-G511 VanDerWaalsContact OD1-N 3.11Å; D508-G511 WeakPolarHBondContact OD2-CA 2.96Å; G511-M515 WeakPolarHBondContact O-CB 3.45Å; G511-M515 PolarHBondContact O-N 2.91Å
512	I	58.6	Low	62.6	Low	74 Å²	74	77.5 Å²	77.5	38%	0.379	42%	0.417	S	S	.	.	H	α-helix	trans	-65.8	-45.7	-178	-66.3	176.3	0	0	0	110.6	D508 E510 M515 W516	D508-I512 PolarHBondContact OD1-N 3.38Å; D508-I512 PolarHBondContact OD2-N 3.01Å; E510-I512 HydrophobicContact CB-CD1 3.98Å; E510-I512 HydrophobicContact CB-CG1 3.92Å; E510-I512 PolarHBondContact O-N 2.99Å; E510-I512 WeakPolarHBondContact OE2-CD1 3.38Å; I512-M515 WeakPolarHBondContact O-CB 3.36Å; I512-M515 PolarHBondContact O-N 2.8Å; I512-W516 PolarHBondContact O-N 3.2Å
513	G	57.5	Low	64.1	Low	13 Å²	13	78.5 Å²	78.5	13%	0.134	42%	0.422	C	S	.	.	H	α-helix	trans	-57	-51.9	177.8	0	0	0	0	0	111	D508 M515 W516 V517	D508-G513 PolarHBondContact OD1-N 3.36Å; D508-G513 WeakPolarHBondContact OD2-CA 3.25Å; D508-G513 PolarHBondContact OD2-N 3.16Å; G513-M515 VanDerWaalsContact C-N 3.32Å; G513-M515 PolarHBondContact O-N 3.15Å; G513-W516 PolarHBondContact O-N 3.34Å; G513-V517 WeakPolarHBondContact O-CG2 3.26Å; G513-V517 PolarHBondContact O-N 3.21Å
514	S	60.3	Low	65.7	Low	58 Å²	58	77.4 Å²	77.4	41%	0.406	41%	0.413	S	S	.	.	H	α-helix	trans	-56.5	-42.7	174.6	-170.6	0	0	0	0	112.3	D508 W516 V517 Q518	D508-S514 PolarHBondContact OD2-N 3.43Å; S514-W516 PolarHBondContact O-N 2.76Å; S514-V517 WeakPolarHBondContact O-CB 2.93Å; S514-V517 PolarHBondContact O-N 2.96Å; S514-Q518 WeakPolarHBondContact O-CG 3.3Å; S514-Q518 PolarHBondContact O-N 2.92Å
515	M	63.7	Low	67.6	Low	67 Å²	67	75.7 Å²	75.7	33%	0.33	40%	0.403	S	S	.	.	H	α-helix	trans	-62.1	-44.7	176.6	-175.9	-163.1	62.7	0	0	112.4	G511 I512 G513 V517 Q518 R519	G511-M515 WeakPolarHBondContact O-CB 3.45Å; G511-M515 PolarHBondContact O-N 2.91Å; I512-M515 WeakPolarHBondContact O-CB 3.36Å; I512-M515 PolarHBondContact O-N 2.8Å; G513-M515 VanDerWaalsContact C-N 3.32Å; G513-M515 PolarHBondContact O-N 3.15Å; M515-V517 VanDerWaalsContact C-N 3.32Å; M515-V517 PolarHBondContact O-N 2.89Å; M515-Q518 PolarHBondContact O-N 3.16Å; M515-R519 WeakPolarHBondContact O-CG 3.45Å; M515-R519 PolarHBondContact O-N 3.2Å
516	W	62.5	Low	69.5	Low	144 Å²	144	72.3 Å²	72.3	55%	0.545	38%	0.379	S	S	.	.	H	α-helix	trans	-63.6	-39.4	176.3	-74.8	108.7	0	0	0	111.6	I512 G513 S514 R519 I520	I512-W516 PolarHBondContact O-N 3.2Å; G513-W516 PolarHBondContact O-N 3.34Å; S514-W516 PolarHBondContact O-N 2.76Å; W516-R519 PolarHBondContact O-N 3.11Å; W516-I520 HydrophobicContact CB-CD1 4.36Å; W516-I520 HydrophobicContact CE3-CD1 3.97Å; W516-I520 HydrophobicContact CE3-CG1 4.43Å; W516-I520 WeakPolarHBondContact O-CB 2.98Å; W516-I520 WeakPolarHBondContact O-CG1 3.38Å; W516-I520 PolarHBondContact O-N 2.82Å
517	V	64	Low	71.5	Confident	33 Å²	33	68.2 Å²	68.2	20%	0.2	36%	0.362	C	S	.	.	H	α-helix	trans	-55.4	-54	174.8	-177.5	0	0	0	0	110.1	F501 G513 S514 M515 R519 I520 I521	F501-V517 HydrophobicContact CD1-CB 4.38Å; F501-V517 HydrophobicContact CD1-CG1 4.34Å; F501-V517 HydrophobicContact CD1-CG2 3.26Å; F501-V517 HydrophobicContact CE1-CB 4.01Å; F501-V517 HydrophobicContact CE1-CG1 3.99Å; F501-V517 HydrophobicContact CE1-CG2 3.21Å; F501-V517 HydrophobicContact CG-CG2 4.25Å; F501-V517 HydrophobicContact CZ-CG1 4.16Å; F501-V517 HydrophobicContact CZ-CG2 4.17Å; G513-V517 WeakPolarHBondContact O-CG2 3.26Å; G513-V517 PolarHBondContact O-N 3.21Å; S514-V517 WeakPolarHBondContact O-CB 2.93Å; S514-V517 PolarHBondContact O-N 2.96Å; M515-V517 VanDerWaalsContact C-N 3.32Å; M515-V517 PolarHBondContact O-N 2.89Å; V517-R519 PolarHBondContact O-N 3.01Å; V517-R519 VanDerWaalsContact O-N 3.14Å; V517-I520 PolarHBondContact O-N 2.93Å; V517-I521 HydrophobicContact CG1-CD1 3.3Å; V517-I521 HydrophobicContact CG1-CG1 3.89Å; V517-I521 VanDerWaalsContact O-CB 3.27Å; V517-I521 WeakPolarHBondContact O-CB 3.27Å; V517-I521 WeakPolarHBondContact O-CG1 3.35Å; V517-I521 PolarHBondContact O-N 2.99Å
518	Q	65.1	Low	73.4	Confident	139 Å²	139	61.7 Å²	61.7	65%	0.65	33%	0.328	S	S	*	.	H	α-helix	trans	-60.7	-25.5	-178.3	-71.2	178.5	0	0	0	112.9	S514 M515 P522	S514-Q518 WeakPolarHBondContact O-CG 3.3Å; S514-Q518 PolarHBondContact O-N 2.92Å; M515-Q518 PolarHBondContact O-N 3.16Å; Q518-P522 VanDerWaalsContact O-CD 3.24Å; Q518-P522 WeakPolarHBondContact O-CD 3.45Å; Q518-P522 VanDerWaalsContact O-CG 3.26Å; Q518-P522 WeakPolarHBondContact O-CG 3.21Å
519	R	72.9	Confident	75.1	Confident	166 Å²	166	59.8 Å²	59.8	63%	0.626	32%	0.317	S	S	*	.	H	α-helix	trans	-91.1	-37.8	178.9	-70.3	-177.8	176.4	-174.8	1.4	114.2	M515 W516 V517	M515-R519 WeakPolarHBondContact O-CG 3.45Å; M515-R519 PolarHBondContact O-N 3.2Å; W516-R519 PolarHBondContact O-N 3.11Å; V517-R519 PolarHBondContact O-N 3.01Å; V517-R519 VanDerWaalsContact O-N 3.14Å
520	I	80.4	Confident	77.1	Confident	62 Å²	62	55.2 Å²	55.2	32%	0.318	29%	0.287	S	S	.	.	H	α-helix	trans	-86.4	-42.2	-173.5	-66.1	172.3	0	0	0	111.5	W516 V517 T523 L524	W516-I520 HydrophobicContact CB-CD1 4.36Å; W516-I520 HydrophobicContact CE3-CD1 3.97Å; W516-I520 HydrophobicContact CE3-CG1 4.43Å; W516-I520 WeakPolarHBondContact O-CB 2.98Å; W516-I520 WeakPolarHBondContact O-CG1 3.38Å; W516-I520 PolarHBondContact O-N 2.82Å; V517-I520 PolarHBondContact O-N 2.93Å; I520-T523 PolarHBondContact O-N 3.49Å; I520-L524 HydrophobicContact CG2-CD1 3.64Å; I520-L524 HydrophobicContact CG2-CG 3.91Å; I520-L524 PolarHBondContact O-N 3.01Å
521	I	83.1	Confident	78.9	Confident	9 Å²	9	51.6 Å²	51.6	5%	0.046	28%	0.279	C	S	.	.	H	α-helix	trans	-57.2	-46.8	-175.1	-75.7	-166.3	0	0	0	112.3	F501 V517 T523 L524 A525 M540 I544 L549	F501-I521 HydrophobicContact CE2-CD1 3.79Å; F501-I521 HydrophobicContact CE2-CG1 4.39Å; F501-I521 HydrophobicContact CZ-CD1 3.83Å; F501-I521 HydrophobicContact CZ-CG1 4.04Å; V517-I521 HydrophobicContact CG1-CD1 3.3Å; V517-I521 HydrophobicContact CG1-CG1 3.89Å; V517-I521 VanDerWaalsContact O-CB 3.27Å; V517-I521 WeakPolarHBondContact O-CB 3.27Å; V517-I521 WeakPolarHBondContact O-CG1 3.35Å; V517-I521 PolarHBondContact O-N 2.99Å; I521-T523 VanDerWaalsContact C-N 3.31Å; I521-T523 PolarHBondContact O-N 3.21Å; I521-L524 PolarHBondContact O-N 3.02Å; I521-A525 WeakPolarHBondContact O-CB 3.47Å; I521-A525 PolarHBondContact O-N 2.95Å; I521-M540 HydrophobicContact CG2-CE 3.78Å; I521-M540 WeakPolarHBondContact O-CE 3.3Å; I521-I544 HydrophobicContact CD1-CD1 3.96Å; I521-I544 HydrophobicContact CD1-CG1 4.15Å; I521-I544 HydrophobicContact CG2-CD1 3.45Å; I521-I544 VanDerWaalsContact CG2-CD1 3.45Å; I521-L549 HydrophobicContact CG2-CD1 3.66Å; I521-L549 HydrophobicContact CG2-CD2 4.12Å
522	P	87.8	Confident	80.5	Confident	8 Å²	8	52.5 Å²	52.5	5%	0.052	28%	0.276	C	S	.	.	H	α-helix	trans	-59.1	-41.5	178.3	-25.9	35.3	0	0	0	113.3	Q518 A525 C526 L549 F550	Q518-P522 VanDerWaalsContact O-CD 3.24Å; Q518-P522 WeakPolarHBondContact O-CD 3.45Å; Q518-P522 VanDerWaalsContact O-CG 3.26Å; Q518-P522 WeakPolarHBondContact O-CG 3.21Å; P522-A525 PolarHBondContact O-N 3.21Å; P522-C526 WeakPolarHBondContact O-CB 3.18Å; P522-C526 PolarHBondContact O-N 2.99Å; P522-C526 PolarHBondContact O-SG 3.48Å; P522-L549 HydrophobicContact CB-CB 3.99Å; P522-L549 HydrophobicContact CG-CB 4.19Å; P522-L549 HydrophobicContact CG-CD2 4.44Å; P522-F550 VanDerWaalsContact CB-C 3.49Å; P522-F550 WeakPolarHBondContact CB-O 3.08Å; P522-F550 WeakPolarHBondContact CG-O 3.38Å
523	T	88.8	Confident	82.2	Confident	57 Å²	57	52.4 Å²	52.4	35%	0.35	28%	0.276	S	S	.	.	H	α-helix	trans	-64	-43.9	176.5	-53.9	0	0	0	0	111.4	I520 I521 C526 C527	I520-T523 PolarHBondContact O-N 3.49Å; I521-T523 VanDerWaalsContact C-N 3.31Å; I521-T523 PolarHBondContact O-N 3.21Å; T523-C526 PolarHBondContact O-N 3.4Å; T523-C527 PolarHBondContact O-N 3.26Å; T523-C527 PolarHBondContact O-SG 3.06Å; T523-C527 VanDerWaalsContact O-SG 3.33Å
524	L	89.1	Confident	84	Confident	50 Å²	50	54.3 Å²	54.3	26%	0.262	28%	0.283	S	S	.	.	H	α-helix	trans	-62.4	-43.7	176.5	-71.1	176.8	0	0	0	112.1	M494 F497 I520 I521 C526 C527 A528 M540	M494-L524 HydrophobicContact SD-CD1 4.35Å; F497-L524 HydrophobicContact CD2-CD1 4.09Å; F497-L524 HydrophobicContact CE2-CD1 3.79Å; I520-L524 HydrophobicContact CG2-CD1 3.64Å; I520-L524 HydrophobicContact CG2-CG 3.91Å; I520-L524 PolarHBondContact O-N 3.01Å; I521-L524 PolarHBondContact O-N 3.02Å; L524-C526 VanDerWaalsContact C-N 3.33Å; L524-C526 PolarHBondContact O-N 2.98Å; L524-C527 PolarHBondContact O-N 3.32Å; L524-A528 WeakPolarHBondContact O-CB 3.42Å; L524-A528 PolarHBondContact O-N 3.25Å; L524-M540 HydrophobicContact CB-CE 4.15Å
525	A	92.1	Very high	85.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-42.2	176.7	0	0	0	0	0	111.2	I521 P522 A528 A529 M540 L549 P557	I521-A525 WeakPolarHBondContact O-CB 3.47Å; I521-A525 PolarHBondContact O-N 2.95Å; P522-A525 PolarHBondContact O-N 3.21Å; A525-A528 PolarHBondContact O-N 2.9Å; A525-A529 WeakPolarHBondContact O-CB 3.42Å; A525-A529 PolarHBondContact O-N 3.2Å; A525-M540 HydrophobicContact CB-CE 3.61Å; A525-M540 HydrophobicContact CB-SD 3.97Å; A525-L549 HydrophobicContact CB-CD1 3.63Å; A525-P557 HydrophobicContact CB-CB 4.39Å; A525-P557 HydrophobicContact CB-CG 3.55Å
526	C	94.1	Very high	86.7	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.034	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-42.5	174.7	-74.5	0	0	0	0	112.2	P522 T523 L524 A529 A530 K560	P522-C526 WeakPolarHBondContact O-CB 3.18Å; P522-C526 PolarHBondContact O-N 2.99Å; P522-C526 PolarHBondContact O-SG 3.48Å; T523-C526 PolarHBondContact O-N 3.4Å; L524-C526 VanDerWaalsContact C-N 3.33Å; L524-C526 PolarHBondContact O-N 2.98Å; C526-A529 PolarHBondContact O-N 2.89Å; C526-A530 VanDerWaalsContact O-CB 3.27Å; C526-A530 WeakPolarHBondContact O-CB 3.33Å; C526-A530 PolarHBondContact O-N 3.21Å; C526-K560 HydrophobicContact CB-CG 3.84Å
527	C	93.3	Very high	88	Confident	59 Å²	59	45.7 Å²	45.7	40%	0.399	25%	0.251	S	S	.	.	H	α-helix	trans	-66.2	-40	174.6	-70	0	0	0	0	112.5	T523 L524 A530 S531	T523-C527 PolarHBondContact O-N 3.26Å; T523-C527 PolarHBondContact O-SG 3.06Å; T523-C527 VanDerWaalsContact O-SG 3.33Å; L524-C527 PolarHBondContact O-N 3.32Å; C527-A530 PolarHBondContact O-N 2.84Å; C527-S531 WeakPolarHBondContact O-CB 3.19Å; C527-S531 PolarHBondContact O-N 3.41Å; C527-S531 PolarHBondContact O-OG 2.77Å
528	A	94.3	Very high	89.3	Confident	4 Å²	4	49.6 Å²	49.6	3%	0.033	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-43.7	175.9	0	0	0	0	0	111.1	L524 A525 S531 N532 N533 C536 L537	L524-A528 WeakPolarHBondContact O-CB 3.42Å; L524-A528 PolarHBondContact O-N 3.25Å; A525-A528 PolarHBondContact O-N 2.9Å; A528-S531 PolarHBondContact O-N 2.8Å; A528-S531 PolarHBondContact O-OG 3.49Å; A528-N532 PolarHBondContact O-N 3.2Å; A528-N533 HydrophobicContact CB-CB 4.4Å; A528-N533 PolarHBondContact O-N 3.31Å; A528-C536 HydrophobicContact CB-CB 3.97Å; A528-L537 HydrophobicContact CB-CD2 3.84Å; A528-L537 HydrophobicContact CB-CG 4.02Å
529	A	96.4	Very high	90.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.3	-42.3	175.1	0	0	0	0	0	112.9	A525 C526 S531 N532 L537 P557 K560 H566 L573	A525-A529 WeakPolarHBondContact O-CB 3.42Å; A525-A529 PolarHBondContact O-N 3.2Å; C526-A529 PolarHBondContact O-N 2.89Å; A529-S531 PolarHBondContact O-N 2.89Å; A529-N532 PolarHBondContact O-N 3.36Å; A529-L537 HydrophobicContact CB-CD1 4.38Å; A529-P557 HydrophobicContact CB-CB 3.8Å; A529-P557 WeakPolarHBondContact CB-O 3.31Å; A529-K560 HydrophobicContact CB-CB 4.41Å; A529-H566 PolarHBondContact O-CD2 3.43Å; A529-L573 HydrophobicContact CB-CD1 4.02Å
530	A	95.2	Very high	90.8	Very high	25 Å²	25	37.6 Å²	37.6	21%	0.207	22%	0.216	C	C	.	.	H	α-helix	trans	-64.6	-23.9	176.4	0	0	0	0	0	114	C526 C527 K560 Y564 H566	C526-A530 VanDerWaalsContact O-CB 3.27Å; C526-A530 WeakPolarHBondContact O-CB 3.33Å; C526-A530 PolarHBondContact O-N 3.21Å; C527-A530 PolarHBondContact O-N 2.84Å; A530-K560 HydrophobicContact CB-CB 4.11Å; A530-Y564 HydrophobicContact CB-CD2 3.68Å; A530-Y564 HydrophobicContact CB-CE2 3.58Å; A530-H566 PolarHBondContact O-CD2 3.01Å; A530-H566 PolarHBondContact O-NE2 3.2Å; A530-H566 VanDerWaalsContact O-NE2 3.1Å
531	S	95.1	Very high	91	Very high	77 Å²	77	37.3 Å²	37.3	54%	0.538	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	7.6	178.2	56.1	0	0	0	0	113.2	C527 A528 A529 N533	C527-S531 WeakPolarHBondContact O-CB 3.19Å; C527-S531 PolarHBondContact O-N 3.41Å; C527-S531 PolarHBondContact O-OG 2.77Å; A528-S531 PolarHBondContact O-N 2.8Å; A528-S531 PolarHBondContact O-OG 3.49Å; A529-S531 PolarHBondContact O-N 2.89Å; S531-N533 PolarHBondContact O-N 3.47Å
532	N	95.6	Very high	90.9	Very high	53 Å²	53	43.1 Å²	43.1	28%	0.283	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	29.8	-174.7	-158.8	29.4	0	0	0	114.4	A528 A529 L534 H566 S568 A569	A528-N532 PolarHBondContact O-N 3.2Å; A529-N532 PolarHBondContact O-N 3.36Å; N532-L534 PolarHBondContact O-N 2.84Å; N532-H566 HydrophobicContact CB-CB 4.1Å; N532-S568 VanDerWaalsContact CG-OG 3.24Å; N532-S568 PolarHBondContact ND2-OG 3.47Å; N532-S568 PolarHBondContact OD1-OG 3.41Å; N532-A569 VanDerWaalsContact OD1-CB 3.25Å; N532-A569 WeakPolarHBondContact OD1-CB 3.46Å; N532-A569 PolarHBondContact OD1-N 2.89Å; N532-A569 VanDerWaalsContact OD1-N 3.12Å
533	N	94.9	Very high	90.1	Very high	72 Å²	72	43.6 Å²	43.6	39%	0.385	24%	0.24	S	C	.	.			trans	-82.1	83.1	-178.5	-171.4	-18.9	0	0	0	111.5	A528 S531 S535 C536 L537	A528-N533 HydrophobicContact CB-CB 4.4Å; A528-N533 PolarHBondContact O-N 3.31Å; S531-N533 PolarHBondContact O-N 3.47Å; N533-S535 VanDerWaalsContact C-N 3.31Å; N533-S535 PolarHBondContact O-N 2.93Å; N533-S535 PolarHBondContact OD1-N 3.47Å; N533-C536 HydrophobicContact CB-CB 4.2Å; N533-C536 PolarHBondContact O-N 3.22Å; N533-C536 WeakPolarHBondContact OD1-CB 3.41Å; N533-C536 PolarHBondContact OD1-N 3.21Å; N533-L537 PolarHBondContact O-N 2.87Å
534	L	94.5	Very high	89.5	Confident	52 Å²	52	42.8 Å²	42.8	27%	0.272	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-33.8	179.2	-65.9	177.1	0	0	0	113.8	N532 L537 K538 A569 Y572	N532-L534 PolarHBondContact O-N 2.84Å; L534-L537 PolarHBondContact O-N 2.71Å; L534-K538 WeakPolarHBondContact O-CB 3.14Å; L534-K538 VanDerWaalsContact O-CG 3.25Å; L534-K538 WeakPolarHBondContact O-CG 3.32Å; L534-K538 PolarHBondContact O-N 2.87Å; L534-A569 HydrophobicContact CD2-CB 4.2Å; L534-Y572 HydrophobicContact CD2-CG 4.35Å
535	S	91.5	Very high	88.8	Confident	70 Å²	70	42 Å²	42	49%	0.49	24%	0.237	S	C	.	.	H	α-helix	trans	-63.2	-46.8	-180	-162.8	0	0	0	0	110.2	N533 K538 E539	N533-S535 VanDerWaalsContact C-N 3.31Å; N533-S535 PolarHBondContact O-N 2.93Å; N533-S535 PolarHBondContact OD1-N 3.47Å; S535-K538 PolarHBondContact O-N 3.18Å; S535-E539 WeakPolarHBondContact O-CG 3.48Å; S535-E539 PolarHBondContact O-N 3.47Å; S535-E539 PolarHBondContact OG-OE1 2.87Å
536	C	89.3	Confident	88.5	Confident	19 Å²	19	43 Å²	43	13%	0.128	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-46.6	176.7	-173.9	0	0	0	0	111.4	A528 N533 K538 E539 M540	A528-C536 HydrophobicContact CB-CB 3.97Å; N533-C536 HydrophobicContact CB-CB 4.2Å; N533-C536 PolarHBondContact O-N 3.22Å; N533-C536 WeakPolarHBondContact OD1-CB 3.41Å; N533-C536 PolarHBondContact OD1-N 3.21Å; C536-K538 VanDerWaalsContact C-N 3.32Å; C536-K538 PolarHBondContact O-N 3.22Å; C536-E539 PolarHBondContact O-N 3.33Å; C536-M540 WeakPolarHBondContact O-CB 3.41Å; C536-M540 WeakPolarHBondContact O-CG 3.31Å; C536-M540 PolarHBondContact O-N 3.13Å
537	L	91.2	Very high	88.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-40.1	177	-68.1	176	0	0	0	112.5	A528 A529 N533 L534 M540 Y541 L547 A569 Y572 L573	A528-L537 HydrophobicContact CB-CD2 3.84Å; A528-L537 HydrophobicContact CB-CG 4.02Å; A529-L537 HydrophobicContact CB-CD1 4.38Å; N533-L537 PolarHBondContact O-N 2.87Å; L534-L537 PolarHBondContact O-N 2.71Å; L537-M540 PolarHBondContact O-N 2.69Å; L537-Y541 WeakPolarHBondContact O-CB 3.41Å; L537-Y541 PolarHBondContact O-N 2.92Å; L537-L547 HydrophobicContact CB-CD1 4.33Å; L537-L547 HydrophobicContact CD2-CD1 4.44Å; L537-A569 HydrophobicContact CD1-CB 4.15Å; L537-Y572 HydrophobicContact CB-CD1 3.93Å; L537-Y572 HydrophobicContact CB-CE1 3.81Å; L537-Y572 HydrophobicContact CD1-CD1 4.43Å; L537-L573 HydrophobicContact CD1-CD1 4.39Å; L537-L573 HydrophobicContact CD1-CD2 4.34Å; L537-L573 HydrophobicContact CD1-CG 4.26Å; L537-L573 HydrophobicContact CD2-CD2 4.33Å
538	K	91.1	Very high	88.2	Confident	114 Å²	114	40.1 Å²	40.1	50%	0.496	22%	0.222	S	C	.	.	H	α-helix	trans	-65.5	-44.4	177.1	-76.4	173	178.9	-174.6	0	112.6	L534 S535 C536 Y541 H542 Y572	L534-K538 WeakPolarHBondContact O-CB 3.14Å; L534-K538 VanDerWaalsContact O-CG 3.25Å; L534-K538 WeakPolarHBondContact O-CG 3.32Å; L534-K538 PolarHBondContact O-N 2.87Å; S535-K538 PolarHBondContact O-N 3.18Å; C536-K538 VanDerWaalsContact C-N 3.32Å; C536-K538 PolarHBondContact O-N 3.22Å; K538-Y541 PolarHBondContact O-N 3.29Å; K538-H542 PolarHBondContact O-N 3.5Å; K538-Y572 WeakPolarHBondContact CA-OH 3.48Å; K538-Y572 HydrophobicContact CG-CD2 4.47Å; K538-Y572 HydrophobicContact CG-CE1 3.81Å; K538-Y572 HydrophobicContact CG-CE2 3.74Å; K538-Y572 WeakPolarHBondContact CG-OH 3.45Å
539	E	83.5	Confident	88	Confident	54 Å²	54	40.8 Å²	40.8	25%	0.252	23%	0.225	S	C	.	.	H	α-helix	trans	-63.1	-44.9	175.1	-72.4	169.9	-158	0	0	111.3	N492 S535 C536 Y541 H542 I543	N492-E539 VanDerWaalsContact ND2-CD 3.25Å; N492-E539 PolarHBondContact ND2-OE1 2.61Å; N492-E539 VanDerWaalsContact ND2-OE1 3.07Å; N492-E539 PolarHBondContact ND2-OE2 3.43Å; S535-E539 WeakPolarHBondContact O-CG 3.48Å; S535-E539 PolarHBondContact O-N 3.47Å; S535-E539 PolarHBondContact OG-OE1 2.87Å; C536-E539 PolarHBondContact O-N 3.33Å; E539-Y541 PolarHBondContact O-N 2.96Å; E539-H542 WeakPolarHBondContact O-CB 3.24Å; E539-H542 PolarHBondContact O-N 3.25Å; E539-H542 VanDerWaalsContact O-N 3.16Å; E539-I543 WeakPolarHBondContact O-CD1 3.44Å; E539-I543 VanDerWaalsContact O-CG1 3.31Å; E539-I543 WeakPolarHBondContact O-CG1 3.18Å; E539-I543 PolarHBondContact O-N 3.31Å
540	M	85.2	Confident	87.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.5	-46.7	175.2	-73.1	-177.7	87	0	0	111.6	M494 I521 L524 A525 C536 L537 H542 I543 I544 L547	M494-M540 HydrophobicContact CE-CB 4.5Å; M494-M540 HydrophobicContact CE-CE 4.44Å; M494-M540 HydrophobicContact CE-CG 3.43Å; M494-M540 VanDerWaalsContact CE-CG 3.43Å; M494-M540 HydrophobicContact CE-SD 4.44Å; M494-M540 HydrophobicContact SD-CG 3.98Å; M494-M540 HydrophobicContact SD-SD 4.4Å; I521-M540 HydrophobicContact CG2-CE 3.78Å; I521-M540 WeakPolarHBondContact O-CE 3.3Å; L524-M540 HydrophobicContact CB-CE 4.15Å; A525-M540 HydrophobicContact CB-CE 3.61Å; A525-M540 HydrophobicContact CB-SD 3.97Å; C536-M540 WeakPolarHBondContact O-CB 3.41Å; C536-M540 WeakPolarHBondContact O-CG 3.31Å; C536-M540 PolarHBondContact O-N 3.13Å; L537-M540 PolarHBondContact O-N 2.69Å; M540-H542 VanDerWaalsContact C-N 3.3Å; M540-H542 PolarHBondContact O-N 2.72Å; M540-I543 PolarHBondContact O-N 3.13Å; M540-I544 HydrophobicContact CB-CD1 4.1Å; M540-I544 HydrophobicContact CE-CD1 4.18Å; M540-I544 WeakPolarHBondContact O-CB 3.44Å; M540-I544 WeakPolarHBondContact O-CD1 3.15Å; M540-I544 VanDerWaalsContact O-CG1 3.3Å; M540-I544 WeakPolarHBondContact O-CG1 3.49Å; M540-I544 PolarHBondContact O-N 3.44Å; M540-L547 HydrophobicContact CB-CD2 3.91Å
541	Y	85	Confident	87.3	Confident	56 Å²	56	43.6 Å²	43.6	22%	0.22	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-38.1	175.8	-177	-95.6	0	0	0	112	L537 K538 E539 I543 G545 L547 C576	L537-Y541 WeakPolarHBondContact O-CB 3.41Å; L537-Y541 PolarHBondContact O-N 2.92Å; K538-Y541 PolarHBondContact O-N 3.29Å; E539-Y541 PolarHBondContact O-N 2.96Å; Y541-I543 VanDerWaalsContact C-N 3.34Å; Y541-I543 PolarHBondContact O-N 3.24Å; Y541-G545 WeakPolarHBondContact CE2-O 3.46Å; Y541-G545 WeakPolarHBondContact O-CA 3.32Å; Y541-G545 PolarHBondContact O-N 2.72Å; Y541-L547 HydrophobicContact CD2-CD1 4.4Å; Y541-L547 HydrophobicContact CD2-CG 4.13Å; Y541-C576 HydrophobicContact CD2-CB 3.88Å; Y541-C576 HydrophobicContact CE2-CB 3.76Å
542	H	80.9	Confident	86.8	Confident	130 Å²	130	45 Å²	45	60%	0.602	24%	0.239	S	C	*	.	H	α-helix	trans	-64.9	-38.1	176.3	-168.5	-10.6	0	0	0	112.3	K538 E539 M540	K538-H542 PolarHBondContact O-N 3.5Å; E539-H542 WeakPolarHBondContact O-CB 3.24Å; E539-H542 PolarHBondContact O-N 3.25Å; E539-H542 VanDerWaalsContact O-N 3.16Å; M540-H542 VanDerWaalsContact C-N 3.3Å; M540-H542 PolarHBondContact O-N 2.72Å
543	I	70.3	Confident	86.3	Confident	19 Å²	19	46.8 Å²	46.8	10%	0.097	25%	0.246	C	C	.	.	H	α-helix	trans	-76.8	-46.8	-179.2	-64.9	158.6	0	0	0	111.5	L479 Y482 M494 A498 E539 M540 Y541	L479-I543 WeakPolarHBondContact CD1-O 3.33Å; Y482-I543 HydrophobicContact CE2-CG1 4.21Å; M494-I543 HydrophobicContact CE-CD1 4.02Å; A498-I543 HydrophobicContact CB-CD1 3.87Å; A498-I543 HydrophobicContact CB-CG1 4.26Å; A498-I543 HydrophobicContact CB-CG2 4.45Å; E539-I543 WeakPolarHBondContact O-CD1 3.44Å; E539-I543 VanDerWaalsContact O-CG1 3.31Å; E539-I543 WeakPolarHBondContact O-CG1 3.18Å; E539-I543 PolarHBondContact O-N 3.31Å; M540-I543 PolarHBondContact O-N 3.13Å; Y541-I543 VanDerWaalsContact C-N 3.34Å; Y541-I543 PolarHBondContact O-N 3.24Å
544	I	76.1	Confident	86	Confident	39 Å²	39	44.1 Å²	44.1	20%	0.2	24%	0.235	C	C	.	.	H	α-helix	trans	-92.1	-26.4	-169.5	-55	159.5	0	0	0	111.5	I521 M540 H546 L549	I521-I544 HydrophobicContact CD1-CD1 3.96Å; I521-I544 HydrophobicContact CD1-CG1 4.15Å; I521-I544 HydrophobicContact CG2-CD1 3.45Å; I521-I544 VanDerWaalsContact CG2-CD1 3.45Å; M540-I544 HydrophobicContact CB-CD1 4.1Å; M540-I544 HydrophobicContact CE-CD1 4.18Å; M540-I544 WeakPolarHBondContact O-CB 3.44Å; M540-I544 WeakPolarHBondContact O-CD1 3.15Å; M540-I544 VanDerWaalsContact O-CG1 3.3Å; M540-I544 WeakPolarHBondContact O-CG1 3.49Å; M540-I544 PolarHBondContact O-N 3.44Å; I544-H546 PolarHBondContact O-N 3.41Å; I544-L549 HydrophobicContact CD1-CD1 4.41Å
545	G	75.8	Confident	85.9	Confident	33 Å²	33	42 Å²	42	34%	0.34	23%	0.225	S	C	.	.	S	Bend	trans	81.5	-13.4	-175.1	0	0	0	0	0	114.8	Y541	Y541-G545 WeakPolarHBondContact CE2-O 3.46Å; Y541-G545 WeakPolarHBondContact O-CA 3.32Å; Y541-G545 PolarHBondContact O-N 2.72Å
546	H	86.1	Confident	86	Confident	21 Å²	21	38.7 Å²	38.7	10%	0.097	20%	0.202	C	C	.	.			trans	-149.4	162.7	175.3	72.3	94.8	0	0	0	112.3	I544 Q548	I544-H546 PolarHBondContact O-N 3.41Å; H546-Q548 PolarHBondContact ND1-N 3.37Å; H546-Q548 PolarHBondContact ND1-O 2.98Å
547	L	90.3	Very high	86.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.			trans	-123	12.4	175.5	-67.5	175	0	0	0	113.6	L537 M540 Y541 L549 Y572 L573 C576 V578	L537-L547 HydrophobicContact CB-CD1 4.33Å; L537-L547 HydrophobicContact CD2-CD1 4.44Å; M540-L547 HydrophobicContact CB-CD2 3.91Å; Y541-L547 HydrophobicContact CD2-CD1 4.4Å; Y541-L547 HydrophobicContact CD2-CG 4.13Å; L547-L549 HydrophobicContact CD2-CD1 4.3Å; L547-L549 PolarHBondContact O-N 2.95Å; L547-Y572 HydrophobicContact CD1-CE1 4.05Å; L547-L573 HydrophobicContact CB-CD2 4.01Å; L547-L573 HydrophobicContact CD1-CD2 3.65Å; L547-L573 HydrophobicContact CG-CD2 4.45Å; L547-C576 HydrophobicContact CD1-CB 4.5Å; L547-V578 HydrophobicContact CB-CG2 3.84Å
548	Q	90.4	Very high	86.6	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.019	20%	0.196	C	C	.	.			trans	-72.2	81.6	168.8	-169.2	67.6	47.3	0	0	109.7	A272 Y320 H546 F550	A272-Q548 HydrophobicContact CB-CG 3.85Å; Y320-Q548 HydrophobicContact CD1-CG 4.27Å; H546-Q548 PolarHBondContact ND1-N 3.37Å; H546-Q548 PolarHBondContact ND1-O 2.98Å; Q548-F550 HydrophobicContact CG-CE2 4.21Å; Q548-F550 HydrophobicContact CG-CZ 3.92Å; Q548-F550 VanDerWaalsContact NE2-CZ 3.32Å
549	L	89.8	Confident	86.9	Confident	18 Å²	18	32.5 Å²	32.5	9%	0.094	17%	0.173	C	C	.	.			trans	-123.6	150.5	-174.6	-60.2	167.3	0	0	0	109.2	I521 P522 A525 I544 L547 T556 P557	I521-L549 HydrophobicContact CG2-CD1 3.66Å; I521-L549 HydrophobicContact CG2-CD2 4.12Å; P522-L549 HydrophobicContact CB-CB 3.99Å; P522-L549 HydrophobicContact CG-CB 4.19Å; P522-L549 HydrophobicContact CG-CD2 4.44Å; A525-L549 HydrophobicContact CB-CD1 3.63Å; I544-L549 HydrophobicContact CD1-CD1 4.41Å; L547-L549 HydrophobicContact CD2-CD1 4.3Å; L547-L549 PolarHBondContact O-N 2.95Å; L549-T556 VanDerWaalsContact O-CA 3.3Å; L549-T556 WeakPolarHBondContact O-CA 3.42Å; L549-P557 WeakPolarHBondContact O-CD 3.37Å
550	F	88.7	Confident	87.5	Confident	57 Å²	57	32.6 Å²	32.6	25%	0.25	17%	0.172	C	C	.	.			trans	-128.4	126.3	-176.6	-50.8	-86.7	0	0	0	110.3	A272 Y320 P522 Q548 C555 T556 I582	A272-F550 HydrophobicContact CB-CZ 3.9Å; Y320-F550 HydrophobicContact CD1-CE2 4.48Å; Y320-F550 AromaticContact CE1-CE2 3.95Å; Y320-F550 HydrophobicContact CE1-CE2 3.95Å; Y320-F550 HydrophobicContact CE1-CZ 4.25Å; Y320-F550 HydrophobicContact CE2-CE2 4.16Å; Y320-F550 AromaticContact CZ-CE2 3.75Å; P522-F550 VanDerWaalsContact CB-C 3.49Å; P522-F550 WeakPolarHBondContact CB-O 3.08Å; P522-F550 WeakPolarHBondContact CG-O 3.38Å; Q548-F550 HydrophobicContact CG-CE2 4.21Å; Q548-F550 HydrophobicContact CG-CZ 3.92Å; Q548-F550 VanDerWaalsContact NE2-CZ 3.32Å; F550-C555 WeakPolarHBondContact CA-O 3.39Å; F550-T556 HydrophobicContact CD1-CG2 3.76Å; F550-T556 HydrophobicContact CE1-CG2 3.72Å; F550-I582 HydrophobicContact CE1-CG2 4.09Å
551	D	88	Confident	88.1	Confident	28 Å²	28	32.6 Å²	32.6	15%	0.15	17%	0.172	C	C	.	.			trans	-75.3	-177.9	169.9	73.5	11.1	0	0	0	111.6	E553 G554 C555 K560	D551-E553 PolarHBondContact O-N 3.38Å; D551-E553 VanDerWaalsContact O-N 3.17Å; D551-E553 WeakPolarHBondContact OD1-CA 3.08Å; D551-E553 WeakPolarHBondContact OD1-CB 3.28Å; D551-E553 PolarHBondContact OD1-N 3.5Å; D551-G554 PolarHBondContact O-N 3.14Å; D551-G554 PolarHBondContact OD1-N 3.29Å; D551-G554 VanDerWaalsContact OD1-N 3.13Å; D551-C555 PolarHBondContact N-O 3.36Å; D551-C555 WeakPolarHBondContact OD1-CB 3.36Å; D551-C555 PolarHBondContact OD1-N 2.82Å; D551-C555 WeakPolarHBondContact OD2-CB 3.5Å; D551-K560 WeakPolarHBondContact OD2-CE 3.33Å; D551-K560 IonicContact OD2-NZ 3.42Å; D551-K560 PolarHBondContact OD2-NZ 3.49Å
552	T	85.4	Confident	88.7	Confident	105 Å²	105	30 Å²	30	64%	0.644	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.6	-179.8	55.6	0	0	0	0	113.7	K585	T552-K585 VanDerWaalsContact O-CE 3.25Å; T552-K585 WeakPolarHBondContact O-CE 3.32Å; T552-K585 PolarHBondContact O-NZ 3.49Å
553	E	84.8	Confident	89.4	Confident	91 Å²	91	27.2 Å²	27.2	43%	0.425	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	1.4	176.4	-58.6	-52.3	120.2	0	0	112.2	D551 C555 K585	D551-E553 PolarHBondContact O-N 3.38Å; D551-E553 VanDerWaalsContact O-N 3.17Å; D551-E553 WeakPolarHBondContact OD1-CA 3.08Å; D551-E553 WeakPolarHBondContact OD1-CB 3.28Å; D551-E553 PolarHBondContact OD1-N 3.5Å; E553-C555 PolarHBondContact O-N 3.22Å; E553-K585 WeakPolarHBondContact O-CB 2.89Å; E553-K585 VanDerWaalsContact O-CG 3.26Å; E553-K585 WeakPolarHBondContact O-CG 3.15Å; E553-K585 PolarHBondContact O-N 2.97Å
554	G	87.8	Confident	90.6	Very high	16 Å²	16	31.3 Å²	31.3	17%	0.165	16%	0.164	C	C	.	.	S	Bend	trans	76.7	6.8	-174.6	0	0	0	0	0	113.5	D551	D551-G554 PolarHBondContact O-N 3.14Å; D551-G554 PolarHBondContact OD1-N 3.29Å; D551-G554 VanDerWaalsContact OD1-N 3.13Å
555	C	92.8	Very high	91.5	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.061	16%	0.16	C	C	.	.			trans	-72.6	139.1	176.3	-59.1	0	0	0	0	110	F550 D551 E553 H559 K560	F550-C555 WeakPolarHBondContact CA-O 3.39Å; D551-C555 PolarHBondContact N-O 3.36Å; D551-C555 WeakPolarHBondContact OD1-CB 3.36Å; D551-C555 PolarHBondContact OD1-N 2.82Å; D551-C555 WeakPolarHBondContact OD2-CB 3.5Å; E553-C555 PolarHBondContact O-N 3.22Å; C555-H559 HydrophobicContact CB-CB 4.17Å; C555-K560 PolarHBondContact SG-NZ 3.22Å; C555-K560 VanDerWaalsContact SG-NZ 3.42Å
556	T	94.6	Very high	92.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.			trans	-92.4	162.8	168.8	72.8	0	0	0	0	110.8	L549 F550 L558 H559 K560	L549-T556 VanDerWaalsContact O-CA 3.3Å; L549-T556 WeakPolarHBondContact O-CA 3.42Å; F550-T556 HydrophobicContact CD1-CG2 3.76Å; F550-T556 HydrophobicContact CE1-CG2 3.72Å; T556-L558 PolarHBondContact O-N 3.29Å; T556-L558 VanDerWaalsContact O-N 3.09Å; T556-L558 PolarHBondContact OG1-N 2.8Å; T556-H559 PolarHBondContact N-ND1 2.88Å; T556-H559 WeakPolarHBondContact O-CB 3.37Å; T556-H559 PolarHBondContact O-N 3.04Å; T556-H559 PolarHBondContact OG1-N 3.4Å; T556-H559 PolarHBondContact OG1-ND1 3.34Å; T556-K560 PolarHBondContact O-N 2.82Å
557	P	96	Very high	92.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-52.1	-32.9	171	-28.1	36.2	0	0	0	112.8	A525 A529 L549 H559 K560 S561 L573	A525-P557 HydrophobicContact CB-CB 4.39Å; A525-P557 HydrophobicContact CB-CG 3.55Å; A529-P557 HydrophobicContact CB-CB 3.8Å; A529-P557 WeakPolarHBondContact CB-O 3.31Å; L549-P557 WeakPolarHBondContact O-CD 3.37Å; P557-H559 PolarHBondContact O-N 3.31Å; P557-K560 PolarHBondContact O-N 3.29Å; P557-S561 PolarHBondContact O-N 3.34Å; P557-L573 HydrophobicContact CB-CD1 3.93Å; P557-L573 HydrophobicContact CB-CD2 3.86Å
558	L	97	Very high	93.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.5	-35.4	177.8	-174.7	64.4	0	0	0	112.6	T556 K560 S561 A562 T570 L573 L574 V578 V580 P590	T556-L558 PolarHBondContact O-N 3.29Å; T556-L558 VanDerWaalsContact O-N 3.09Å; T556-L558 PolarHBondContact OG1-N 2.8Å; L558-K560 VanDerWaalsContact C-N 3.31Å; L558-K560 PolarHBondContact O-N 3.37Å; L558-S561 PolarHBondContact O-OG 2.91Å; L558-A562 WeakPolarHBondContact O-CB 3.4Å; L558-A562 PolarHBondContact O-N 3.43Å; L558-T570 HydrophobicContact CD1-CG2 3.53Å; L558-L573 HydrophobicContact CB-CD1 4.39Å; L558-L573 HydrophobicContact CD1-CB 4.06Å; L558-L574 HydrophobicContact CD1-CD2 4.14Å; L558-L574 HydrophobicContact CD1-CG 4.03Å; L558-L574 HydrophobicContact CD2-CD2 3.72Å; L558-L574 HydrophobicContact CD2-CG 4.49Å; L558-V578 HydrophobicContact CB-CG1 3.8Å; L558-V578 HydrophobicContact CD2-CG1 4.11Å; L558-V580 HydrophobicContact CD2-CB 4.46Å; L558-V580 HydrophobicContact CD2-CG2 4.5Å; L558-P590 HydrophobicContact CB-CG 4.42Å; L558-P590 HydrophobicContact CD2-CB 4.09Å; L558-P590 HydrophobicContact CD2-CG 3.83Å; L558-P590 HydrophobicContact CG-CB 3.9Å; L558-P590 HydrophobicContact CG-CG 3.92Å
559	H	97.3	Very high	93.5	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-60.5	-44.6	172.3	-69.2	78.3	0	0	0	110.8	C555 T556 P557 A562 F563 I582 Y588	C555-H559 HydrophobicContact CB-CB 4.17Å; T556-H559 PolarHBondContact N-ND1 2.88Å; T556-H559 WeakPolarHBondContact O-CB 3.37Å; T556-H559 PolarHBondContact O-N 3.04Å; T556-H559 PolarHBondContact OG1-N 3.4Å; T556-H559 PolarHBondContact OG1-ND1 3.34Å; P557-H559 PolarHBondContact O-N 3.31Å; H559-A562 PolarHBondContact O-N 3.04Å; H559-F563 VanDerWaalsContact O-CB 3.3Å; H559-F563 WeakPolarHBondContact O-CB 3.37Å; H559-F563 PolarHBondContact O-N 2.97Å; H559-I582 PolarHBondContact CE1-O 2.87Å; H559-I582 VanDerWaalsContact CE1-O 3.26Å; H559-I582 PolarHBondContact NE2-O 2.73Å; H559-I582 VanDerWaalsContact NE2-O 3.12Å; H559-Y588 PolarHBondContact CD2-O 3.3Å; H559-Y588 VanDerWaalsContact CD2-O 3.24Å; H559-Y588 PolarHBondContact NE2-O 3Å
560	K	96.2	Very high	93.9	Very high	57 Å²	57	33 Å²	33	25%	0.248	17%	0.171	C	C	.	.	H	α-helix	trans	-68.5	-49.1	-178.5	-57.9	-55.7	-173.8	-164.8	0	111.5	C526 A529 A530 D551 C555 T556 P557 L558 A562 F563 Y564	C526-K560 HydrophobicContact CB-CG 3.84Å; A529-K560 HydrophobicContact CB-CB 4.41Å; A530-K560 HydrophobicContact CB-CB 4.11Å; D551-K560 WeakPolarHBondContact OD2-CE 3.33Å; D551-K560 IonicContact OD2-NZ 3.42Å; D551-K560 PolarHBondContact OD2-NZ 3.49Å; C555-K560 PolarHBondContact SG-NZ 3.22Å; C555-K560 VanDerWaalsContact SG-NZ 3.42Å; T556-K560 PolarHBondContact O-N 2.82Å; P557-K560 PolarHBondContact O-N 3.29Å; L558-K560 VanDerWaalsContact C-N 3.31Å; L558-K560 PolarHBondContact O-N 3.37Å; K560-A562 PolarHBondContact O-N 2.7Å; K560-F563 PolarHBondContact O-N 3.15Å; K560-Y564 VanDerWaalsContact O-CD2 3.23Å; K560-Y564 WeakPolarHBondContact O-CD2 3.41Å; K560-Y564 PolarHBondContact O-N 2.87Å; K560-Y564 VanDerWaalsContact O-N 3.1Å
561	S	96.9	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.5	-38.2	177.8	65.1	0	0	0	0	111.8	P557 L558 G565 H566 T570	P557-S561 PolarHBondContact O-N 3.34Å; L558-S561 PolarHBondContact O-OG 2.91Å; S561-G565 PolarHBondContact O-N 2.79Å; S561-H566 PolarHBondContact O-N 2.67Å; S561-T570 WeakPolarHBondContact CB-OG1 3.34Å; S561-T570 WeakPolarHBondContact OG-CA 3.32Å; S561-T570 PolarHBondContact OG-OG1 2.92Å
562	A	97.2	Very high	94.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.5	-46.4	176.5	0	0	0	0	0	112.4	L558 H559 K560 Y564 G565 P590 C593 A594 L608	L558-A562 WeakPolarHBondContact O-CB 3.4Å; L558-A562 PolarHBondContact O-N 3.43Å; H559-A562 PolarHBondContact O-N 3.04Å; K560-A562 PolarHBondContact O-N 2.7Å; A562-Y564 VanDerWaalsContact C-N 3.28Å; A562-Y564 PolarHBondContact O-N 2.86Å; A562-G565 PolarHBondContact O-N 3.06Å; A562-G565 VanDerWaalsContact O-N 3.12Å; A562-P590 HydrophobicContact CB-CB 4.36Å; A562-P590 VanDerWaalsContact CB-O 3.27Å; A562-P590 WeakPolarHBondContact CB-O 3.15Å; A562-C593 HydrophobicContact CB-CB 4.25Å; A562-A594 HydrophobicContact CB-CB 4.21Å; A562-A594 WeakPolarHBondContact O-CA 3.44Å; A562-L608 HydrophobicContact CB-CD1 4.44Å
563	F	96.3	Very high	95.2	Very high	72 Å²	72	30.2 Å²	30.2	32%	0.316	15%	0.148	S	C	.	.	H	α-helix	trans	-61.4	-33.2	179.1	-175.1	-100.9	0	0	0	113.5	H559 K560 C593 S597	H559-F563 VanDerWaalsContact O-CB 3.3Å; H559-F563 WeakPolarHBondContact O-CB 3.37Å; H559-F563 PolarHBondContact O-N 2.97Å; K560-F563 PolarHBondContact O-N 3.15Å; F563-C593 HydrophobicContact CB-CB 4.01Å; F563-C593 HydrophobicContact CD2-CB 4.47Å; F563-S597 WeakPolarHBondContact O-CA 3.48Å; F563-S597 WeakPolarHBondContact O-CB 3.24Å
564	Y	95.3	Very high	95.7	Very high	106 Å²	106	25.9 Å²	25.9	42%	0.416	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	4.7	178	-71.1	-76	0	0	0	113.9	A530 K560 A562 H566	A530-Y564 HydrophobicContact CB-CD2 3.68Å; A530-Y564 HydrophobicContact CB-CE2 3.58Å; K560-Y564 VanDerWaalsContact O-CD2 3.23Å; K560-Y564 WeakPolarHBondContact O-CD2 3.41Å; K560-Y564 PolarHBondContact O-N 2.87Å; K560-Y564 VanDerWaalsContact O-N 3.1Å; A562-Y564 VanDerWaalsContact C-N 3.28Å; A562-Y564 PolarHBondContact O-N 2.86Å; Y564-H566 VanDerWaalsContact C-N 3.33Å; Y564-H566 PolarHBondContact O-N 3.28Å
565	G	94.6	Very high	95.9	Very high	13 Å²	13	28.6 Å²	28.6	13%	0.134	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	18.4	176.6	0	0	0	0	0	114.5	S561 A562 I567	S561-G565 PolarHBondContact O-N 2.79Å; A562-G565 PolarHBondContact O-N 3.06Å; A562-G565 VanDerWaalsContact O-N 3.12Å; G565-I567 PolarHBondContact O-N 2.98Å
566	H	96	Very high	95.8	Very high	45 Å²	45	28.4 Å²	28.4	21%	0.208	14%	0.135	C	C	.	.			trans	-86.5	90.1	-173.3	-65.5	-32.8	0	0	0	112.2	A529 A530 N532 S561 Y564 S568 A569 T570	A529-H566 PolarHBondContact O-CD2 3.43Å; A530-H566 PolarHBondContact O-CD2 3.01Å; A530-H566 PolarHBondContact O-NE2 3.2Å; A530-H566 VanDerWaalsContact O-NE2 3.1Å; N532-H566 HydrophobicContact CB-CB 4.1Å; S561-H566 PolarHBondContact O-N 2.67Å; Y564-H566 VanDerWaalsContact C-N 3.33Å; Y564-H566 PolarHBondContact O-N 3.28Å; H566-S568 VanDerWaalsContact C-N 3.34Å; H566-S568 PolarHBondContact O-N 3.32Å; H566-A569 HydrophobicContact CB-CB 4.23Å; H566-A569 PolarHBondContact O-N 2.83Å; H566-T570 VanDerWaalsContact O-CB 3.31Å; H566-T570 WeakPolarHBondContact O-CB 3.44Å; H566-T570 PolarHBondContact O-N 3.41Å; H566-T570 PolarHBondContact O-OG1 3.4Å
567	I	95.9	Very high	95.6	Very high	42 Å²	42	29.5 Å²	29.5	22%	0.215	15%	0.146	C	C	.	.	H	α-helix	trans	-57.7	-44.3	-178.7	-59.6	173.6	0	0	0	111.7	G565 T570 K571 E603 L604 L607	G565-I567 PolarHBondContact O-N 2.98Å; I567-T570 PolarHBondContact O-N 2.86Å; I567-K571 VanDerWaalsContact O-CB 3.31Å; I567-K571 WeakPolarHBondContact O-CB 3.42Å; I567-K571 PolarHBondContact O-N 3.18Å; I567-E603 HydrophobicContact CD1-CB 3.94Å; I567-E603 HydrophobicContact CD1-CG 3.92Å; I567-E603 WeakPolarHBondContact CD1-OE2 3.42Å; I567-L604 HydrophobicContact CG1-CB 4.02Å; I567-L604 HydrophobicContact CG1-CD1 4.35Å; I567-L607 HydrophobicContact CG2-CD2 4.24Å
568	S	96.7	Very high	95.4	Very high	49 Å²	49	29.7 Å²	29.7	34%	0.343	15%	0.147	S	C	.	.	H	α-helix	trans	-66.2	-46.1	-176.5	49.4	0	0	0	0	113.3	N532 H566 Y572	N532-S568 VanDerWaalsContact CG-OG 3.24Å; N532-S568 PolarHBondContact ND2-OG 3.47Å; N532-S568 PolarHBondContact OD1-OG 3.41Å; H566-S568 VanDerWaalsContact C-N 3.34Å; H566-S568 PolarHBondContact O-N 3.32Å; S568-Y572 WeakPolarHBondContact O-CB 3.49Å; S568-Y572 PolarHBondContact O-N 3.03Å
569	A	97	Very high	95.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-41.7	174.8	0	0	0	0	0	111.5	N532 L534 L537 H566 Y572 L573	N532-A569 VanDerWaalsContact OD1-CB 3.25Å; N532-A569 WeakPolarHBondContact OD1-CB 3.46Å; N532-A569 PolarHBondContact OD1-N 2.89Å; N532-A569 VanDerWaalsContact OD1-N 3.12Å; L534-A569 HydrophobicContact CD2-CB 4.2Å; L537-A569 HydrophobicContact CD1-CB 4.15Å; H566-A569 HydrophobicContact CB-CB 4.23Å; H566-A569 PolarHBondContact O-N 2.83Å; A569-Y572 PolarHBondContact O-N 2.84Å; A569-L573 WeakPolarHBondContact O-CB 3.31Å; A569-L573 WeakPolarHBondContact O-CD1 3.47Å; A569-L573 WeakPolarHBondContact O-CG 3.32Å; A569-L573 PolarHBondContact O-N 3.22Å
570	T	97.3	Very high	95	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.7	-50.2	176.9	-57	0	0	0	0	111	L558 S561 H566 I567 Y572 L573 L574 L604 L607 L608	L558-T570 HydrophobicContact CD1-CG2 3.53Å; S561-T570 WeakPolarHBondContact CB-OG1 3.34Å; S561-T570 WeakPolarHBondContact OG-CA 3.32Å; S561-T570 PolarHBondContact OG-OG1 2.92Å; H566-T570 VanDerWaalsContact O-CB 3.31Å; H566-T570 WeakPolarHBondContact O-CB 3.44Å; H566-T570 PolarHBondContact O-N 3.41Å; H566-T570 PolarHBondContact O-OG1 3.4Å; I567-T570 PolarHBondContact O-N 2.86Å; T570-Y572 PolarHBondContact O-N 3.31Å; T570-L573 PolarHBondContact O-N 3.37Å; T570-L574 HydrophobicContact CG2-CD1 4.01Å; T570-L574 VanDerWaalsContact O-CG 3.29Å; T570-L574 WeakPolarHBondContact O-CG 3.43Å; T570-L574 PolarHBondContact O-N 3.12Å; T570-L604 HydrophobicContact CG2-CD1 3.66Å; T570-L607 HydrophobicContact CG2-CD2 4.39Å; T570-L608 HydrophobicContact CG2-CD2 3.99Å
571	K	97	Very high	94.7	Very high	99 Å²	99	29.9 Å²	29.9	43%	0.43	15%	0.15	S	C	.	.	H	α-helix	trans	-57.7	-46.7	177.8	-176.2	175	178.8	174.8	0	111.8	L329 I567 L573 L574 E575 L607	L329-K571 HydrophobicContact CD1-CG 4.48Å; I567-K571 VanDerWaalsContact O-CB 3.31Å; I567-K571 WeakPolarHBondContact O-CB 3.42Å; I567-K571 PolarHBondContact O-N 3.18Å; K571-L573 PolarHBondContact O-N 3.02Å; K571-L574 PolarHBondContact O-N 3.04Å; K571-E575 WeakPolarHBondContact CE-OE1 3.38Å; K571-E575 WeakPolarHBondContact O-CG 3.44Å; K571-E575 PolarHBondContact O-N 3.14Å; K571-L607 HydrophobicContact CB-CD2 4.05Å
572	Y	96.2	Very high	94.4	Very high	33 Å²	33	30.9 Å²	30.9	13%	0.129	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-42.4	178.6	-179.4	-109.2	0	0	0	112.5	L534 L537 K538 L547 S568 A569 T570 L574 E575 C576	L534-Y572 HydrophobicContact CD2-CG 4.35Å; L537-Y572 HydrophobicContact CB-CD1 3.93Å; L537-Y572 HydrophobicContact CB-CE1 3.81Å; L537-Y572 HydrophobicContact CD1-CD1 4.43Å; K538-Y572 WeakPolarHBondContact CA-OH 3.48Å; K538-Y572 HydrophobicContact CG-CD2 4.47Å; K538-Y572 HydrophobicContact CG-CE1 3.81Å; K538-Y572 HydrophobicContact CG-CE2 3.74Å; K538-Y572 WeakPolarHBondContact CG-OH 3.45Å; L547-Y572 HydrophobicContact CD1-CE1 4.05Å; S568-Y572 WeakPolarHBondContact O-CB 3.49Å; S568-Y572 PolarHBondContact O-N 3.03Å; A569-Y572 PolarHBondContact O-N 2.84Å; T570-Y572 PolarHBondContact O-N 3.31Å; Y572-L574 PolarHBondContact O-N 3.38Å; Y572-E575 PolarHBondContact O-N 3.36Å; Y572-C576 PolarHBondContact O-N 3.44Å; Y572-C576 PolarHBondContact O-SG 3.14Å
573	L	95.9	Very high	94.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.2	-39.7	177.4	-71.8	165.1	0	0	0	112	A529 L537 L547 P557 L558 A569 T570 K571 C576 G577 V578	A529-L573 HydrophobicContact CB-CD1 4.02Å; L537-L573 HydrophobicContact CD1-CD1 4.39Å; L537-L573 HydrophobicContact CD1-CD2 4.34Å; L537-L573 HydrophobicContact CD1-CG 4.26Å; L537-L573 HydrophobicContact CD2-CD2 4.33Å; L547-L573 HydrophobicContact CB-CD2 4.01Å; L547-L573 HydrophobicContact CD1-CD2 3.65Å; L547-L573 HydrophobicContact CG-CD2 4.45Å; P557-L573 HydrophobicContact CB-CD1 3.93Å; P557-L573 HydrophobicContact CB-CD2 3.86Å; L558-L573 HydrophobicContact CB-CD1 4.39Å; L558-L573 HydrophobicContact CD1-CB 4.06Å; A569-L573 WeakPolarHBondContact O-CB 3.31Å; A569-L573 WeakPolarHBondContact O-CD1 3.47Å; A569-L573 WeakPolarHBondContact O-CG 3.32Å; A569-L573 PolarHBondContact O-N 3.22Å; T570-L573 PolarHBondContact O-N 3.37Å; K571-L573 PolarHBondContact O-N 3.02Å; L573-C576 PolarHBondContact O-N 3.25Å; L573-G577 PolarHBondContact O-N 3.28Å; L573-V578 HydrophobicContact CB-CB 4.48Å; L573-V578 HydrophobicContact CB-CG2 4.28Å; L573-V578 HydrophobicContact CD2-CG2 4.19Å; L573-V578 WeakPolarHBondContact O-CB 3.25Å; L573-V578 WeakPolarHBondContact O-CG2 3.36Å; L573-V578 PolarHBondContact O-N 3.47Å; L573-V578 VanDerWaalsContact O-N 3.13Å
574	L	94.9	Very high	93.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.5	-43.1	173.6	-67.8	169.3	0	0	0	111.5	L329 L558 T570 K571 Y572 C576 G577 V580 L607 L608 V611	L329-L574 HydrophobicContact CD1-CB 3.84Å; L329-L574 HydrophobicContact CD1-CD1 4.32Å; L558-L574 HydrophobicContact CD1-CD2 4.14Å; L558-L574 HydrophobicContact CD1-CG 4.03Å; L558-L574 HydrophobicContact CD2-CD2 3.72Å; L558-L574 HydrophobicContact CD2-CG 4.49Å; T570-L574 HydrophobicContact CG2-CD1 4.01Å; T570-L574 VanDerWaalsContact O-CG 3.29Å; T570-L574 WeakPolarHBondContact O-CG 3.43Å; T570-L574 PolarHBondContact O-N 3.12Å; K571-L574 PolarHBondContact O-N 3.04Å; Y572-L574 PolarHBondContact O-N 3.38Å; L574-C576 PolarHBondContact O-N 3.1Å; L574-G577 PolarHBondContact O-N 3.01Å; L574-V580 HydrophobicContact CD2-CB 4.24Å; L574-V580 HydrophobicContact CD2-CG2 4.37Å; L574-L607 HydrophobicContact CD1-CD2 4.35Å; L574-L607 HydrophobicContact CD1-CG 4.18Å; L574-L608 HydrophobicContact CD1-CD2 4.22Å; L574-V611 HydrophobicContact CD1-CG1 4.11Å; L574-V611 HydrophobicContact CD1-CG2 4.01Å; L574-V611 HydrophobicContact CD2-CG2 3.97Å
575	E	93.5	Very high	93.5	Very high	73 Å²	73	31.9 Å²	31.9	34%	0.341	17%	0.169	S	C	.	.	H	α-helix	trans	-62.5	-26	175.1	-73.7	170.7	176	0	0	113.3	G328 L329 K571 Y572 G577	G328-E575 PolarHBondContact N-O 2.78Å; G328-E575 WeakPolarHBondContact O-CA 3.35Å; L329-E575 HydrophobicContact CB-CG 4.44Å; L329-E575 HydrophobicContact CD1-CG 4.39Å; K571-E575 WeakPolarHBondContact CE-OE1 3.38Å; K571-E575 WeakPolarHBondContact O-CG 3.44Å; K571-E575 PolarHBondContact O-N 3.14Å; Y572-E575 PolarHBondContact O-N 3.36Å; E575-G577 VanDerWaalsContact C-N 3.27Å
576	C	91	Very high	93.1	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.041	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-0.1	172.6	-64.4	0	0	0	0	113.4	R325 Y541 L547 Y572 L573 L574	R325-C576 WeakPolarHBondContact CD-O 3.46Å; Y541-C576 HydrophobicContact CD2-CB 3.88Å; Y541-C576 HydrophobicContact CE2-CB 3.76Å; L547-C576 HydrophobicContact CD1-CB 4.5Å; Y572-C576 PolarHBondContact O-N 3.44Å; Y572-C576 PolarHBondContact O-SG 3.14Å; L573-C576 PolarHBondContact O-N 3.25Å; L574-C576 PolarHBondContact O-N 3.1Å
577	G	89.7	Confident	92.8	Very high	22 Å²	22	35.6 Å²	35.6	23%	0.227	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	28.1	179.1	0	0	0	0	0	114.9	L573 L574 E575 S579	L573-G577 PolarHBondContact O-N 3.28Å; L574-G577 PolarHBondContact O-N 3.01Å; E575-G577 VanDerWaalsContact C-N 3.27Å; G577-S579 PolarHBondContact O-N 3.06Å
578	V	92.5	Very high	92.7	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.024	20%	0.195	C	C	.	.			trans	-70.4	126.8	169.9	-179.7	0	0	0	0	109.2	L547 L558 L573 V580	L547-V578 HydrophobicContact CB-CG2 3.84Å; L558-V578 HydrophobicContact CB-CG1 3.8Å; L558-V578 HydrophobicContact CD2-CG1 4.11Å; L573-V578 HydrophobicContact CB-CB 4.48Å; L573-V578 HydrophobicContact CB-CG2 4.28Å; L573-V578 HydrophobicContact CD2-CG2 4.19Å; L573-V578 WeakPolarHBondContact O-CB 3.25Å; L573-V578 WeakPolarHBondContact O-CG2 3.36Å; L573-V578 PolarHBondContact O-N 3.47Å; L573-V578 VanDerWaalsContact O-N 3.13Å; V578-V580 PolarHBondContact O-N 3.29Å
579	S	91.5	Very high	92.6	Very high	12 Å²	12	35.2 Å²	35.2	8%	0.084	19%	0.187	C	C	.	.			trans	-64.2	129.6	-176.6	176.8	0	0	0	0	111.7	G577 H581	G577-S579 PolarHBondContact O-N 3.06Å; S579-H581 VanDerWaalsContact C-N 3.33Å; S579-H581 PolarHBondContact OG-N 3.12Å
580	V	93.1	Very high	92.5	Very high	11 Å²	11	35.2 Å²	35.2	7%	0.067	19%	0.187	C	C	.	.	S	Bend	trans	-82.6	-11.6	178.9	73.7	0	0	0	0	113	L558 L574 V578 P590 L608 V611 A613	L558-V580 HydrophobicContact CD2-CB 4.46Å; L558-V580 HydrophobicContact CD2-CG2 4.5Å; L574-V580 HydrophobicContact CD2-CB 4.24Å; L574-V580 HydrophobicContact CD2-CG2 4.37Å; V578-V580 PolarHBondContact O-N 3.29Å; V580-P590 WeakPolarHBondContact O-CD 3.43Å; V580-L608 HydrophobicContact CG2-CD2 3.81Å; V580-V611 HydrophobicContact CB-CG2 4.43Å; V580-V611 HydrophobicContact CG1-CG2 4.47Å; V580-V611 HydrophobicContact CG2-CG2 4.13Å; V580-A613 HydrophobicContact CG1-CB 4.46Å; V580-A613 HydrophobicContact CG2-CB 3.64Å
581	H	91.2	Very high	92.5	Very high	40 Å²	40	35.2 Å²	35.2	19%	0.185	19%	0.187	C	C	.	.	S	Bend	trans	-97.4	-10.3	-171.9	-59	-69.1	0	0	0	114.3	G237 S579 A583 G612	G237-H581 PolarHBondContact O-CD2 2.71Å; G237-H581 VanDerWaalsContact O-CD2 3.25Å; S579-H581 VanDerWaalsContact C-N 3.33Å; S579-H581 PolarHBondContact OG-N 3.12Å; H581-A583 PolarHBondContact O-N 2.93Å; H581-G612 PolarHBondContact CE1-O 2.77Å
582	I	90	Very high	92.5	Very high	21 Å²	21	30.7 Å²	30.7	11%	0.108	17%	0.167	C	C	.	.			trans	-68.5	134	-178.3	-55.5	-57.5	0	0	0	109.8	A272 F550 H559 P590	A272-I582 HydrophobicContact CB-CD1 3.64Å; A272-I582 HydrophobicContact CB-CG1 3.98Å; F550-I582 HydrophobicContact CE1-CG2 4.09Å; H559-I582 PolarHBondContact CE1-O 2.87Å; H559-I582 VanDerWaalsContact CE1-O 3.26Å; H559-I582 PolarHBondContact NE2-O 2.73Å; H559-I582 VanDerWaalsContact NE2-O 3.12Å; I582-P590 VanDerWaalsContact O-CD 3.26Å; I582-P590 WeakPolarHBondContact O-CD 3.46Å
583	A	90.2	Very high	92.5	Very high	31 Å²	31	29.5 Å²	29.5	26%	0.256	16%	0.164	S	C	.	.			trans	-100	142.3	168.4	0	0	0	0	0	110.4	H581 Y588 T589	H581-A583 PolarHBondContact O-N 2.93Å; A583-Y588 CarbonylContact C-O 3.53Å; A583-Y588 VanDerWaalsContact CA-O 3.26Å; A583-Y588 WeakPolarHBondContact CA-O 3.47Å; A583-T589 HydrophobicContact CB-CG2 4.1Å
584	D	91.4	Very high	92.6	Very high	17 Å²	17	29.6 Å²	29.6	9%	0.091	16%	0.164	C	C	.	.			trans	-69.6	-178.7	169.7	76.5	4.3	0	0	0	112.1	N586 G587 Y588	D584-N586 PolarHBondContact O-N 2.99Å; D584-N586 VanDerWaalsContact O-N 3.12Å; D584-N586 WeakPolarHBondContact OD1-CA 3.45Å; D584-N586 WeakPolarHBondContact OD1-CB 3.34Å; D584-N586 PolarHBondContact OD1-N 3.35Å; D584-G587 PolarHBondContact O-N 2.91Å; D584-G587 PolarHBondContact OD1-N 3.43Å; D584-Y588 PolarHBondContact N-O 3.19Å; D584-Y588 PolarHBondContact OD1-N 3.22Å
585	K	87.1	Confident	92.6	Very high	151 Å²	151	29.6 Å²	29.6	66%	0.657	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.4	179.4	-73.6	-179.9	-179	178.8	0	114.3	T552 E553	T552-K585 VanDerWaalsContact O-CE 3.25Å; T552-K585 WeakPolarHBondContact O-CE 3.32Å; T552-K585 PolarHBondContact O-NZ 3.49Å; E553-K585 WeakPolarHBondContact O-CB 2.89Å; E553-K585 VanDerWaalsContact O-CG 3.26Å; E553-K585 WeakPolarHBondContact O-CG 3.15Å; E553-K585 PolarHBondContact O-N 2.97Å
586	N	87.7	Confident	92.7	Very high	102 Å²	102	27.6 Å²	27.6	55%	0.545	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	1.9	178.6	-61.7	-53.6	0	0	0	112.5	D584 Y588 L621	D584-N586 PolarHBondContact O-N 2.99Å; D584-N586 VanDerWaalsContact O-N 3.12Å; D584-N586 WeakPolarHBondContact OD1-CA 3.45Å; D584-N586 WeakPolarHBondContact OD1-CB 3.34Å; D584-N586 PolarHBondContact OD1-N 3.35Å; N586-Y588 HydrophobicContact CB-CD2 3.87Å; N586-Y588 HydrophobicContact CB-CE2 4.23Å; N586-L621 VanDerWaalsContact O-CD2 3.26Å; N586-L621 WeakPolarHBondContact O-CD2 3.35Å
587	G	88.3	Confident	92.8	Very high	34 Å²	34	27.3 Å²	27.3	35%	0.351	15%	0.154	S	C	.	.	S	Bend	trans	85	8.3	-179.2	0	0	0	0	0	114.5	D584	D584-G587 PolarHBondContact O-N 2.91Å; D584-G587 PolarHBondContact OD1-N 3.43Å
588	Y	93.6	Very high	92.6	Very high	55 Å²	55	33.7 Å²	33.7	22%	0.216	18%	0.183	C	C	.	.			trans	-78.8	123.2	176	-77	-103.9	0	0	0	110.4	H559 A583 D584 N586 L592 N596 L621 L625	H559-Y588 PolarHBondContact CD2-O 3.3Å; H559-Y588 VanDerWaalsContact CD2-O 3.24Å; H559-Y588 PolarHBondContact NE2-O 3Å; A583-Y588 CarbonylContact C-O 3.53Å; A583-Y588 VanDerWaalsContact CA-O 3.26Å; A583-Y588 WeakPolarHBondContact CA-O 3.47Å; D584-Y588 PolarHBondContact N-O 3.19Å; D584-Y588 PolarHBondContact OD1-N 3.22Å; N586-Y588 HydrophobicContact CB-CD2 3.87Å; N586-Y588 HydrophobicContact CB-CE2 4.23Å; Y588-L592 HydrophobicContact CD1-CB 4.16Å; Y588-L592 HydrophobicContact CD1-CD2 3.87Å; Y588-L592 HydrophobicContact CD1-CG 3.78Å; Y588-L592 HydrophobicContact CE1-CD2 4.19Å; Y588-L592 HydrophobicContact CE1-CG 4.1Å; Y588-L592 HydrophobicContact CG-CD2 4.17Å; Y588-N596 HydrophobicContact CE1-CB 4.47Å; Y588-L621 HydrophobicContact CD2-CD2 4.2Å; Y588-L621 HydrophobicContact CE2-CD1 4.19Å; Y588-L621 HydrophobicContact CE2-CD2 4.19Å; Y588-L625 HydrophobicContact CE1-CD1 3.95Å
589	T	94.6	Very high	92.5	Very high	28 Å²	28	38.8 Å²	38.8	17%	0.172	21%	0.208	C	C	.	.			trans	-87.2	164.7	164.9	63.4	0	0	0	0	110.1	A583 L591 L592 C593	A583-T589 HydrophobicContact CB-CG2 4.1Å; T589-L591 PolarHBondContact O-N 3.49Å; T589-L592 PolarHBondContact O-N 3.08Å; T589-L592 PolarHBondContact OG1-N 3.19Å; T589-C593 PolarHBondContact O-N 3.35Å
590	P	96.2	Very high	92.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-52.4	-37.8	172.6	-29.6	35.8	0	0	0	113.9	L558 A562 V580 I582 C593 A594 L608	L558-P590 HydrophobicContact CB-CG 4.42Å; L558-P590 HydrophobicContact CD2-CB 4.09Å; L558-P590 HydrophobicContact CD2-CG 3.83Å; L558-P590 HydrophobicContact CG-CB 3.9Å; L558-P590 HydrophobicContact CG-CG 3.92Å; A562-P590 HydrophobicContact CB-CB 4.36Å; A562-P590 VanDerWaalsContact CB-O 3.27Å; A562-P590 WeakPolarHBondContact CB-O 3.15Å; V580-P590 WeakPolarHBondContact O-CD 3.43Å; I582-P590 VanDerWaalsContact O-CD 3.26Å; I582-P590 WeakPolarHBondContact O-CD 3.46Å; P590-C593 WeakPolarHBondContact O-CB 3.42Å; P590-C593 PolarHBondContact O-N 3.3Å; P590-A594 PolarHBondContact O-N 3.02Å; P590-L608 HydrophobicContact CB-CD2 4.49Å
591	L	97	Very high	92.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-44.2	174.5	-179.9	63.1	0	0	0	111.9	T589 C593 A594 L595 V605 L608 L609 A613 L615	T589-L591 PolarHBondContact O-N 3.49Å; L591-C593 VanDerWaalsContact C-N 3.32Å; L591-C593 PolarHBondContact O-N 3.49Å; L591-A594 PolarHBondContact O-N 2.97Å; L591-L595 HydrophobicContact CD1-CD1 4.38Å; L591-L595 HydrophobicContact CG-CD1 4.11Å; L591-L595 WeakPolarHBondContact O-CG 3.03Å; L591-L595 PolarHBondContact O-N 3.48Å; L591-V605 HydrophobicContact CD1-CG1 4.15Å; L591-L608 HydrophobicContact CD1-CB 4.09Å; L591-L608 HydrophobicContact CD1-CD1 4.32Å; L591-L609 HydrophobicContact CD1-CD2 4.48Å; L591-L609 HydrophobicContact CD2-CD2 4.06Å; L591-A613 HydrophobicContact CB-CB 3.99Å; L591-A613 HydrophobicContact CD2-CB 3.97Å; L591-A613 HydrophobicContact CG-CB 4.41Å; L591-L615 HydrophobicContact CD2-CB 4.12Å
592	L	96.8	Very high	92.7	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-67.2	-34.8	177.5	-165.1	61.2	0	0	0	111.8	Y588 T589 L595 N596 L615 L621 V622 L625 Y641	Y588-L592 HydrophobicContact CD1-CB 4.16Å; Y588-L592 HydrophobicContact CD1-CD2 3.87Å; Y588-L592 HydrophobicContact CD1-CG 3.78Å; Y588-L592 HydrophobicContact CE1-CD2 4.19Å; Y588-L592 HydrophobicContact CE1-CG 4.1Å; Y588-L592 HydrophobicContact CG-CD2 4.17Å; T589-L592 PolarHBondContact O-N 3.08Å; T589-L592 PolarHBondContact OG1-N 3.19Å; L592-L595 PolarHBondContact O-N 2.96Å; L592-N596 WeakPolarHBondContact CD1-ND2 3.48Å; L592-N596 PolarHBondContact O-N 2.85Å; L592-N596 VanDerWaalsContact O-N 3.09Å; L592-N596 PolarHBondContact O-ND2 3.36Å; L592-L615 HydrophobicContact CD1-CD1 4.12Å; L592-L621 HydrophobicContact CD2-CD2 3.78Å; L592-L621 HydrophobicContact CD2-CG 4.18Å; L592-V622 HydrophobicContact CD1-CG2 4.09Å; L592-V622 HydrophobicContact CD2-CG2 4.21Å; L592-L625 HydrophobicContact CD1-CD1 3.92Å; L592-L625 HydrophobicContact CD2-CD1 3.87Å; L592-L625 HydrophobicContact CG-CD1 4.02Å; L592-Y641 HydrophobicContact CD1-CE1 4.21Å
593	C	96.6	Very high	92.9	Very high	9 Å²	9	48.2 Å²	48.2	6%	0.061	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-45.9	170.4	-72.4	0	0	0	0	111.9	A562 F563 T589 P590 L591 N596 S597	A562-C593 HydrophobicContact CB-CB 4.25Å; F563-C593 HydrophobicContact CB-CB 4.01Å; F563-C593 HydrophobicContact CD2-CB 4.47Å; T589-C593 PolarHBondContact O-N 3.35Å; P590-C593 WeakPolarHBondContact O-CB 3.42Å; P590-C593 PolarHBondContact O-N 3.3Å; L591-C593 VanDerWaalsContact C-N 3.32Å; L591-C593 PolarHBondContact O-N 3.49Å; C593-N596 CarbonylContact O-C 3.52Å; C593-N596 PolarHBondContact O-N 2.83Å; C593-S597 PolarHBondContact O-N 3.4Å
594	A	97.1	Very high	93.2	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-43.5	177.2	0	0	0	0	0	112.4	A562 P590 L591 N596 S597 L604 V605 L608	A562-A594 HydrophobicContact CB-CB 4.21Å; A562-A594 WeakPolarHBondContact O-CA 3.44Å; P590-A594 PolarHBondContact O-N 3.02Å; L591-A594 PolarHBondContact O-N 2.97Å; A594-N596 VanDerWaalsContact C-N 3.28Å; A594-N596 PolarHBondContact O-N 3Å; A594-S597 VanDerWaalsContact O-CB 3.31Å; A594-S597 WeakPolarHBondContact O-CB 3.41Å; A594-S597 PolarHBondContact O-N 2.9Å; A594-S597 PolarHBondContact O-OG 3.38Å; A594-L604 HydrophobicContact CB-CD2 3.99Å; A594-L604 HydrophobicContact CB-CG 4.2Å; A594-V605 HydrophobicContact CB-CG2 4.32Å; A594-L608 HydrophobicContact CB-CD1 3.71Å
595	L	96.6	Very high	93.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-29.9	178.1	-71.4	166.6	0	0	0	112.9	L591 L592 L600 V605 L615 R637 L640 Y641	L591-L595 HydrophobicContact CD1-CD1 4.38Å; L591-L595 HydrophobicContact CG-CD1 4.11Å; L591-L595 WeakPolarHBondContact O-CG 3.03Å; L591-L595 PolarHBondContact O-N 3.48Å; L592-L595 PolarHBondContact O-N 2.96Å; L595-L600 WeakPolarHBondContact O-CD1 3.34Å; L595-V605 HydrophobicContact CD2-CG1 4.4Å; L595-V605 HydrophobicContact CD2-CG2 3.95Å; L595-V605 HydrophobicContact CG-CG2 4.39Å; L595-L615 HydrophobicContact CD1-CD1 4.09Å; L595-R637 VanDerWaalsContact O-CD 3.31Å; L595-R637 WeakPolarHBondContact O-CD 3.4Å; L595-R637 PolarHBondContact O-NE 3.32Å; L595-L640 HydrophobicContact CD2-CB 3.57Å; L595-Y641 HydrophobicContact CB-CE1 4.07Å; L595-Y641 HydrophobicContact CD1-CD1 3.84Å; L595-Y641 HydrophobicContact CD1-CE1 3.7Å; L595-Y641 HydrophobicContact CD2-CD1 4.49Å; L595-Y641 HydrophobicContact CG-CE1 4.36Å
596	N	94	Very high	93.8	Very high	31 Å²	31	42.3 Å²	42.3	17%	0.166	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	20.1	179.8	-62.3	-79.3	0	0	0	113	Y588 L592 C593 A594 Y641	Y588-N596 HydrophobicContact CE1-CB 4.47Å; L592-N596 WeakPolarHBondContact CD1-ND2 3.48Å; L592-N596 PolarHBondContact O-N 2.85Å; L592-N596 VanDerWaalsContact O-N 3.09Å; L592-N596 PolarHBondContact O-ND2 3.36Å; C593-N596 CarbonylContact O-C 3.52Å; C593-N596 PolarHBondContact O-N 2.83Å; A594-N596 VanDerWaalsContact C-N 3.28Å; A594-N596 PolarHBondContact O-N 3Å; N596-Y641 VanDerWaalsContact CG-OH 3.29Å; N596-Y641 PolarHBondContact ND2-OH 2.91Å; N596-Y641 PolarHBondContact OD1-OH 2.92Å
597	S	93	Very high	94.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	21%	0.211	C	C	.	.			trans	-68.3	154.8	173.4	62.1	0	0	0	0	111.4	F563 C593 A594 I599 R637	F563-S597 WeakPolarHBondContact O-CA 3.48Å; F563-S597 WeakPolarHBondContact O-CB 3.24Å; C593-S597 PolarHBondContact O-N 3.4Å; A594-S597 VanDerWaalsContact O-CB 3.31Å; A594-S597 WeakPolarHBondContact O-CB 3.41Å; A594-S597 PolarHBondContact O-N 2.9Å; A594-S597 PolarHBondContact O-OG 3.38Å; S597-I599 VanDerWaalsContact C-N 3.28Å; S597-I599 VanDerWaalsContact OG-C 3.31Å; S597-I599 PolarHBondContact OG-O 2.97Å; S597-R637 PolarHBondContact O-NH2 2.82Å
598	L	87	Confident	94.6	Very high	156 Å²	156	36.9 Å²	36.9	82%	0.817	20%	0.195	S	C	*	.	S	Bend	trans	-69.3	-29.5	168.4	-67.9	173.7	0	0	0	111.8
599	I	90.5	Very high	94.6	Very high	110 Å²	110	36.1 Å²	36.1	56%	0.564	19%	0.194	S	C	*	.	S	Bend	trans	-111.2	88.4	179.3	-56.1	174.5	0	0	0	108	S597 S601	S597-I599 VanDerWaalsContact C-N 3.28Å; S597-I599 VanDerWaalsContact OG-C 3.31Å; S597-I599 PolarHBondContact OG-O 2.97Å; I599-S601 PolarHBondContact O-N 3.32Å
600	L	91.5	Very high	94.5	Very high	52 Å²	52	38.8 Å²	38.8	27%	0.272	21%	0.207	S	C	.	.			trans	-69.9	127.5	-178.4	-162.5	69.8	0	0	0	110.8	L595 Q636 R637 L640	L595-L600 WeakPolarHBondContact O-CD1 3.34Å; L600-Q636 HydrophobicContact CD2-CB 3.94Å; L600-R637 HydrophobicContact CD2-CB 4.06Å; L600-L640 HydrophobicContact CD1-CD1 3.63Å; L600-L640 HydrophobicContact CD2-CD1 3.65Å; L600-L640 HydrophobicContact CD2-CG 4.45Å; L600-L640 HydrophobicContact CG-CD1 3.42Å; L600-L640 VanDerWaalsContact CG-CD1 3.42Å
601	S	93.4	Very high	94.3	Very high	23 Å²	23	39 Å²	39	16%	0.161	21%	0.209	C	C	.	.			trans	-133	117.4	-179.7	171.5	0	0	0	0	110.8	I599 E603 L604 V605	I599-S601 PolarHBondContact O-N 3.32Å; S601-E603 VanDerWaalsContact C-N 3.32Å; S601-E603 PolarHBondContact OG-N 2.92Å; S601-L604 PolarHBondContact O-N 3.37Å; S601-L604 PolarHBondContact OG-N 3.29Å; S601-L604 VanDerWaalsContact OG-N 3.1Å; S601-V605 WeakPolarHBondContact O-CG2 3.33Å; S601-V605 PolarHBondContact O-N 3.45Å; S601-V605 VanDerWaalsContact O-N 3.16Å
602	S	93.7	Very high	94	Very high	80 Å²	80	39.9 Å²	39.9	56%	0.559	22%	0.217	S	C	*	.	H	α-helix	trans	-64.1	-37.9	173.1	52.3	0	0	0	0	111.8	V605 Q606	S602-V605 PolarHBondContact O-N 3.27Å; S602-Q606 WeakPolarHBondContact O-CB 3.46Å; S602-Q606 PolarHBondContact O-N 2.91Å
603	E	95.5	Very high	93.9	Very high	128 Å²	128	40 Å²	40	60%	0.598	22%	0.219	S	C	*	.	H	α-helix	trans	-61.7	-43.2	176.3	-173.7	-175.5	173	0	0	111.7	I567 S601 Q606 L607	I567-E603 HydrophobicContact CD1-CB 3.94Å; I567-E603 HydrophobicContact CD1-CG 3.92Å; I567-E603 WeakPolarHBondContact CD1-OE2 3.42Å; S601-E603 VanDerWaalsContact C-N 3.32Å; S601-E603 PolarHBondContact OG-N 2.92Å; E603-Q606 PolarHBondContact O-N 3.29Å; E603-L607 WeakPolarHBondContact O-CB 3.22Å; E603-L607 PolarHBondContact O-N 2.98Å
604	L	96.4	Very high	93.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-43.6	176.9	179.4	60.6	0	0	0	112.2	I567 T570 A594 S601 L607 L608	I567-L604 HydrophobicContact CG1-CB 4.02Å; I567-L604 HydrophobicContact CG1-CD1 4.35Å; T570-L604 HydrophobicContact CG2-CD1 3.66Å; A594-L604 HydrophobicContact CB-CD2 3.99Å; A594-L604 HydrophobicContact CB-CG 4.2Å; S601-L604 PolarHBondContact O-N 3.37Å; S601-L604 PolarHBondContact OG-N 3.29Å; S601-L604 VanDerWaalsContact OG-N 3.1Å; L604-L607 PolarHBondContact O-N 2.8Å; L604-L608 HydrophobicContact CG-CD1 4.41Å; L604-L608 WeakPolarHBondContact O-CG 3.05Å; L604-L608 PolarHBondContact O-N 2.96Å
605	V	96.4	Very high	93.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-45.6	176.9	169.5	0	0	0	0	110.1	L591 A594 L595 S601 S602 L607 L608 L609 L640 L643 C644	L591-V605 HydrophobicContact CD1-CG1 4.15Å; A594-V605 HydrophobicContact CB-CG2 4.32Å; L595-V605 HydrophobicContact CD2-CG1 4.4Å; L595-V605 HydrophobicContact CD2-CG2 3.95Å; L595-V605 HydrophobicContact CG-CG2 4.39Å; S601-V605 WeakPolarHBondContact O-CG2 3.33Å; S601-V605 PolarHBondContact O-N 3.45Å; S601-V605 VanDerWaalsContact O-N 3.16Å; S602-V605 PolarHBondContact O-N 3.27Å; V605-L607 PolarHBondContact O-N 3.43Å; V605-L608 PolarHBondContact O-N 3.47Å; V605-L609 HydrophobicContact CG1-CD1 4.07Å; V605-L609 HydrophobicContact CG1-CG 4.42Å; V605-L609 WeakPolarHBondContact O-CG 3.31Å; V605-L609 PolarHBondContact O-N 3.06Å; V605-L640 HydrophobicContact CG2-CD1 4.08Å; V605-L643 HydrophobicContact CG1-CD2 4.3Å; V605-C644 VanDerWaalsContact CG1-SG 3.57Å
606	Q	95	Very high	92.9	Very high	74 Å²	74	45.7 Å²	45.7	35%	0.346	25%	0.25	S	S	.	.	H	α-helix	trans	-61.1	-43.8	176.8	-169.1	61.9	51	0	0	111.6	S602 E603 L608 L609 D610	S602-Q606 WeakPolarHBondContact O-CB 3.46Å; S602-Q606 PolarHBondContact O-N 2.91Å; E603-Q606 PolarHBondContact O-N 3.29Å; Q606-L608 VanDerWaalsContact C-N 3.3Å; Q606-L608 PolarHBondContact O-N 3.46Å; Q606-L609 PolarHBondContact O-N 3.41Å; Q606-L609 VanDerWaalsContact O-N 3.14Å; Q606-D610 PolarHBondContact NE2-OD1 3.04Å; Q606-D610 WeakPolarHBondContact O-CB 3.45Å; Q606-D610 PolarHBondContact O-N 2.72Å
607	L	95.9	Very high	92.4	Very high	22 Å²	22	45.7 Å²	45.7	12%	0.115	25%	0.252	C	S	.	.	H	α-helix	trans	-56.4	-43.6	175.1	174.8	65.9	0	0	0	111.9	L329 I567 T570 K571 L574 E603 L604 V605 D610 V611	L329-L607 HydrophobicContact CD1-CD1 4.2Å; L329-L607 HydrophobicContact CD2-CD1 4.04Å; I567-L607 HydrophobicContact CG2-CD2 4.24Å; T570-L607 HydrophobicContact CG2-CD2 4.39Å; K571-L607 HydrophobicContact CB-CD2 4.05Å; L574-L607 HydrophobicContact CD1-CD2 4.35Å; L574-L607 HydrophobicContact CD1-CG 4.18Å; E603-L607 WeakPolarHBondContact O-CB 3.22Å; E603-L607 PolarHBondContact O-N 2.98Å; L604-L607 PolarHBondContact O-N 2.8Å; V605-L607 PolarHBondContact O-N 3.43Å; L607-D610 PolarHBondContact O-N 2.91Å; L607-V611 PolarHBondContact O-N 3.44Å
608	L	96	Very high	91.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-39.2	177.9	-70.1	169.6	0	0	0	111.7	A562 T570 L574 V580 P590 L591 A594 L604 V605 Q606 V611 G612 A613	A562-L608 HydrophobicContact CB-CD1 4.44Å; T570-L608 HydrophobicContact CG2-CD2 3.99Å; L574-L608 HydrophobicContact CD1-CD2 4.22Å; V580-L608 HydrophobicContact CG2-CD2 3.81Å; P590-L608 HydrophobicContact CB-CD2 4.49Å; L591-L608 HydrophobicContact CD1-CB 4.09Å; L591-L608 HydrophobicContact CD1-CD1 4.32Å; A594-L608 HydrophobicContact CB-CD1 3.71Å; L604-L608 HydrophobicContact CG-CD1 4.41Å; L604-L608 WeakPolarHBondContact O-CG 3.05Å; L604-L608 PolarHBondContact O-N 2.96Å; V605-L608 PolarHBondContact O-N 3.47Å; Q606-L608 VanDerWaalsContact C-N 3.3Å; Q606-L608 PolarHBondContact O-N 3.46Å; L608-V611 WeakPolarHBondContact O-CG2 3.49Å; L608-V611 PolarHBondContact O-N 3.09Å; L608-G612 PolarHBondContact O-N 2.94Å; L608-A613 HydrophobicContact CB-CB 4.01Å; L608-A613 WeakPolarHBondContact O-CB 3.49Å; L608-A613 PolarHBondContact O-N 3.05Å
609	L	93.9	Very high	91.8	Very high	39 Å²	39	43.1 Å²	43.1	20%	0.204	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-40.3	175.1	-66.6	175	0	0	0	112	L591 V605 Q606 V611 G612 A613 L643	L591-L609 HydrophobicContact CD1-CD2 4.48Å; L591-L609 HydrophobicContact CD2-CD2 4.06Å; V605-L609 HydrophobicContact CG1-CD1 4.07Å; V605-L609 HydrophobicContact CG1-CG 4.42Å; V605-L609 WeakPolarHBondContact O-CG 3.31Å; V605-L609 PolarHBondContact O-N 3.06Å; Q606-L609 PolarHBondContact O-N 3.41Å; Q606-L609 VanDerWaalsContact O-N 3.14Å; L609-V611 PolarHBondContact O-N 3.32Å; L609-G612 WeakPolarHBondContact O-CA 3.45Å; L609-G612 PolarHBondContact O-N 3.32Å; L609-A613 WeakPolarHBondContact CD2-O 3.04Å; L609-L643 HydrophobicContact CD1-CD2 4.38Å; L609-L643 HydrophobicContact CD1-CG 4.1Å
610	D	92.9	Very high	91.6	Very high	83 Å²	83	40.1 Å²	40.1	44%	0.444	22%	0.222	S	C	.	.	H	α-helix	trans	-63.5	-29.4	179.8	-70.7	-12.7	0	0	0	112.3	P332 Q606 L607 G612	P332-D610 WeakPolarHBondContact CD-O 3.33Å; P332-D610 VanDerWaalsContact CG-O 3.28Å; P332-D610 WeakPolarHBondContact CG-O 3.18Å; Q606-D610 PolarHBondContact NE2-OD1 3.04Å; Q606-D610 WeakPolarHBondContact O-CB 3.45Å; Q606-D610 PolarHBondContact O-N 2.72Å; L607-D610 PolarHBondContact O-N 2.91Å; D610-G612 VanDerWaalsContact C-N 3.31Å
611	V	91.9	Very high	91.5	Very high	6 Å²	6	39.8 Å²	39.8	4%	0.036	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	1.4	173.1	-56.4	0	0	0	0	113.5	L329 P330 L574 V580 L607 L608 L609	L329-V611 HydrophobicContact CD1-CG1 3.7Å; L329-V611 HydrophobicContact CD2-CG1 4.11Å; L329-V611 HydrophobicContact CG-CG1 3.65Å; P330-V611 HydrophobicContact CB-CB 4.15Å; P330-V611 HydrophobicContact CG-CB 4.02Å; P330-V611 HydrophobicContact CG-CG1 4.17Å; P330-V611 WeakPolarHBondContact O-CG1 3.27Å; L574-V611 HydrophobicContact CD1-CG1 4.11Å; L574-V611 HydrophobicContact CD1-CG2 4.01Å; L574-V611 HydrophobicContact CD2-CG2 3.97Å; V580-V611 HydrophobicContact CB-CG2 4.43Å; V580-V611 HydrophobicContact CG1-CG2 4.47Å; V580-V611 HydrophobicContact CG2-CG2 4.13Å; L607-V611 PolarHBondContact O-N 3.44Å; L608-V611 WeakPolarHBondContact O-CG2 3.49Å; L608-V611 PolarHBondContact O-N 3.09Å; L609-V611 PolarHBondContact O-N 3.32Å
612	G	90.9	Very high	91.5	Very high	17 Å²	17	38.9 Å²	38.9	18%	0.175	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.6	14.6	174.1	0	0	0	0	0	115.9	H581 L608 L609 D610	H581-G612 PolarHBondContact CE1-O 2.77Å; L608-G612 PolarHBondContact O-N 2.94Å; L609-G612 WeakPolarHBondContact O-CA 3.45Å; L609-G612 PolarHBondContact O-N 3.32Å; D610-G612 VanDerWaalsContact C-N 3.31Å
613	A	92.9	Very high	91.5	Very high	7 Å²	7	35.2 Å²	35.2	6%	0.058	19%	0.188	C	C	.	.			trans	-59.1	142.9	173.2	0	0	0	0	0	111.4	V580 L591 L608 L609	V580-A613 HydrophobicContact CG1-CB 4.46Å; V580-A613 HydrophobicContact CG2-CB 3.64Å; L591-A613 HydrophobicContact CB-CB 3.99Å; L591-A613 HydrophobicContact CD2-CB 3.97Å; L591-A613 HydrophobicContact CG-CB 4.41Å; L608-A613 HydrophobicContact CB-CB 4.01Å; L608-A613 WeakPolarHBondContact O-CB 3.49Å; L608-A613 PolarHBondContact O-N 3.05Å; L609-A613 WeakPolarHBondContact CD2-O 3.04Å
614	V	90.8	Very high	91.5	Very high	49 Å²	49	36.6 Å²	36.6	30%	0.297	19%	0.192	S	C	.	.			trans	-126.4	136.7	-178.5	-178.4	0	0	0	0	109.5	N208	N208-V614 HydrophobicContact CB-CG1 4.39Å
615	L	91.9	Very high	91.5	Very high	14 Å²	14	37.8 Å²	37.8	7%	0.073	20%	0.199	C	C	.	.			trans	-90.6	118.9	169.2	-176.2	69.6	0	0	0	109	L591 L592 L595 S617 V622 Y641 C644 Y646	L591-L615 HydrophobicContact CD2-CB 4.12Å; L592-L615 HydrophobicContact CD1-CD1 4.12Å; L595-L615 HydrophobicContact CD1-CD1 4.09Å; L615-S617 VanDerWaalsContact C-N 3.34Å; L615-S617 PolarHBondContact O-N 3.29Å; L615-V622 HydrophobicContact CD1-CG1 3.84Å; L615-V622 HydrophobicContact CD1-CG2 3.93Å; L615-V622 HydrophobicContact CD2-CG1 4.15Å; L615-V622 HydrophobicContact CG-CG1 4.12Å; L615-Y641 HydrophobicContact CD2-CD1 3.87Å; L615-Y641 HydrophobicContact CD2-CE1 4.48Å; L615-C644 HydrophobicContact CB-CB 3.94Å; L615-C644 HydrophobicContact CD2-CB 3.74Å; L615-C644 HydrophobicContact CG-CB 4.46Å; L615-Y646 HydrophobicContact CD2-CD2 4.37Å
616	N	87.1	Confident	91.5	Very high	66 Å²	66	37.8 Å²	37.8	35%	0.353	20%	0.199	S	C	.	.			trans	-73.9	90.7	170.1	-179.5	5.4	0	0	0	109.1	R75 E618 S619 V622	R75-N616 PolarHBondContact NH2-ND2 2.84Å; N616-E618 PolarHBondContact O-N 3.35Å; N616-E618 PolarHBondContact OD1-N 2.87Å; N616-S619 WeakPolarHBondContact O-CB 3.05Å; N616-S619 PolarHBondContact O-N 2.8Å; N616-V622 WeakPolarHBondContact O-CG2 3.31Å
617	S	83.6	Confident	91.5	Very high	31 Å²	31	34.7 Å²	34.7	22%	0.217	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.6	-174.7	61.9	0	0	0	0	113.1	L615 S619 Y646 N650	L615-S617 VanDerWaalsContact C-N 3.34Å; L615-S617 PolarHBondContact O-N 3.29Å; S617-S619 VanDerWaalsContact C-N 3.32Å; S617-Y646 WeakPolarHBondContact O-CE2 3.2Å; S617-N650 VanDerWaalsContact C-ND2 3.31Å; S617-N650 PolarHBondContact O-ND2 3.27Å
618	E	81.3	Confident	91.6	Very high	80 Å²	80	38.6 Å²	38.6	37%	0.374	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-16.3	-179.1	-59	-176.2	163.3	0	0	112.8	Q58 N616 Q620	Q58-E618 HydrophobicContact CB-CB 3.84Å; Q58-E618 HydrophobicContact CG-CB 3.99Å; Q58-E618 WeakPolarHBondContact CG-O 3.39Å; N616-E618 PolarHBondContact O-N 3.35Å; N616-E618 PolarHBondContact OD1-N 2.87Å; E618-Q620 PolarHBondContact O-N 3.25Å
619	S	85.5	Confident	91.6	Very high	24 Å²	24	38.7 Å²	38.7	17%	0.168	20%	0.203	C	C	.	.			trans	-61	127.3	-178.1	176.1	0	0	0	0	112.7	N616 S617 L621 V622 T623	N616-S619 WeakPolarHBondContact O-CB 3.05Å; N616-S619 PolarHBondContact O-N 2.8Å; S617-S619 VanDerWaalsContact C-N 3.32Å; S619-L621 PolarHBondContact O-N 3.35Å; S619-L621 PolarHBondContact OG-N 3.5Å; S619-V622 WeakPolarHBondContact O-CA 3.3Å; S619-V622 WeakPolarHBondContact O-CB 3.06Å; S619-V622 PolarHBondContact O-N 3.39Å; S619-T623 PolarHBondContact O-N 2.94Å; S619-T623 PolarHBondContact O-OG1 3.43Å
620	Q	86.5	Confident	91.7	Very high	46 Å²	46	36.9 Å²	36.9	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-56.9	-33.2	174.1	-66.1	-59.9	-25.2	0	0	112.8	D62 E618 T623 K624	D62-Q620 WeakPolarHBondContact OD2-CG 3.38Å; D62-Q620 PolarHBondContact OD2-NE2 3.31Å; E618-Q620 PolarHBondContact O-N 3.25Å; Q620-T623 PolarHBondContact O-N 3.07Å; Q620-K624 VanDerWaalsContact O-CB 3.3Å; Q620-K624 WeakPolarHBondContact O-CB 3.31Å; Q620-K624 PolarHBondContact O-N 3.16Å
621	L	90	Very high	91.9	Very high	45 Å²	45	33.5 Å²	33.5	24%	0.236	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-47.5	173.3	174.4	65.5	0	0	0	111	N586 Y588 L592 S619 K624 L625	N586-L621 VanDerWaalsContact O-CD2 3.26Å; N586-L621 WeakPolarHBondContact O-CD2 3.35Å; Y588-L621 HydrophobicContact CD2-CD2 4.2Å; Y588-L621 HydrophobicContact CE2-CD1 4.19Å; Y588-L621 HydrophobicContact CE2-CD2 4.19Å; L592-L621 HydrophobicContact CD2-CD2 3.78Å; L592-L621 HydrophobicContact CD2-CG 4.18Å; S619-L621 PolarHBondContact O-N 3.35Å; S619-L621 PolarHBondContact OG-N 3.5Å; L621-K624 PolarHBondContact O-N 2.96Å; L621-L625 HydrophobicContact CD1-CD1 4.06Å; L621-L625 HydrophobicContact CD1-CG 4.43Å; L621-L625 HydrophobicContact CG-CD1 4.05Å; L621-L625 VanDerWaalsContact O-CG 3.26Å; L621-L625 WeakPolarHBondContact O-CG 3.33Å; L621-L625 PolarHBondContact O-N 3.12Å
622	V	93.8	Very high	92.1	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.03	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-45	179.3	177.2	0	0	0	0	109.9	L592 L615 N616 S619 K624 L625 V626 Y641 Y646	L592-V622 HydrophobicContact CD1-CG2 4.09Å; L592-V622 HydrophobicContact CD2-CG2 4.21Å; L615-V622 HydrophobicContact CD1-CG1 3.84Å; L615-V622 HydrophobicContact CD1-CG2 3.93Å; L615-V622 HydrophobicContact CD2-CG1 4.15Å; L615-V622 HydrophobicContact CG-CG1 4.12Å; N616-V622 WeakPolarHBondContact O-CG2 3.31Å; S619-V622 WeakPolarHBondContact O-CA 3.3Å; S619-V622 WeakPolarHBondContact O-CB 3.06Å; S619-V622 PolarHBondContact O-N 3.39Å; V622-K624 VanDerWaalsContact C-N 3.35Å; V622-K624 PolarHBondContact O-N 3.46Å; V622-L625 PolarHBondContact O-N 2.94Å; V622-V626 HydrophobicContact CG1-CG2 4.2Å; V622-V626 VanDerWaalsContact O-CG2 3.3Å; V622-V626 WeakPolarHBondContact O-CG2 3.29Å; V622-V626 PolarHBondContact O-N 3.09Å; V622-Y641 HydrophobicContact CG1-CE1 4.36Å; V622-Y646 HydrophobicContact CG1-CD2 3.73Å; V622-Y646 HydrophobicContact CG1-CE2 3.79Å
623	T	93.9	Very high	92.3	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-44.9	176.2	-63.6	0	0	0	0	112.3	S619 Q620 L625 V626 H627 Y646 D652	S619-T623 PolarHBondContact O-N 2.94Å; S619-T623 PolarHBondContact O-OG1 3.43Å; Q620-T623 PolarHBondContact O-N 3.07Å; T623-L625 VanDerWaalsContact C-N 3.35Å; T623-L625 PolarHBondContact O-N 3.45Å; T623-V626 PolarHBondContact O-N 2.68Å; T623-H627 WeakPolarHBondContact O-CB 3.48Å; T623-H627 PolarHBondContact O-CD2 3.49Å; T623-H627 VanDerWaalsContact O-CG 3.27Å; T623-H627 PolarHBondContact O-N 2.98Å; T623-Y646 WeakPolarHBondContact CA-OH 3.36Å; T623-Y646 PolarHBondContact OG1-OH 3.16Å; T623-Y646 VanDerWaalsContact OG1-OH 3.09Å; T623-D652 HydrophobicContact CG2-CB 4.12Å
624	K	94.3	Very high	92.4	Very high	157 Å²	157	39.7 Å²	39.7	68%	0.683	21%	0.208	S	C	*	.	H	α-helix	trans	-57.8	-45.8	174.9	-178.8	179.3	179	178.2	0	112.1	Q620 L621 V622 H627 Q628	Q620-K624 VanDerWaalsContact O-CB 3.3Å; Q620-K624 WeakPolarHBondContact O-CB 3.31Å; Q620-K624 PolarHBondContact O-N 3.16Å; L621-K624 PolarHBondContact O-N 2.96Å; V622-K624 VanDerWaalsContact C-N 3.35Å; V622-K624 PolarHBondContact O-N 3.46Å; K624-H627 PolarHBondContact O-N 2.91Å; K624-Q628 WeakPolarHBondContact O-CB 3.5Å; K624-Q628 PolarHBondContact O-N 3.36Å
625	L	96.1	Very high	92.6	Very high	26 Å²	26	39 Å²	39	14%	0.136	20%	0.202	C	C	.	.	H	α-helix	trans	-68.2	-39.2	-180	-67.5	167.7	0	0	0	112.4	Y588 L592 L621 V622 T623 Q628 A629 Y641	Y588-L625 HydrophobicContact CE1-CD1 3.95Å; L592-L625 HydrophobicContact CD1-CD1 3.92Å; L592-L625 HydrophobicContact CD2-CD1 3.87Å; L592-L625 HydrophobicContact CG-CD1 4.02Å; L621-L625 HydrophobicContact CD1-CD1 4.06Å; L621-L625 HydrophobicContact CD1-CG 4.43Å; L621-L625 HydrophobicContact CG-CD1 4.05Å; L621-L625 VanDerWaalsContact O-CG 3.26Å; L621-L625 WeakPolarHBondContact O-CG 3.33Å; L621-L625 PolarHBondContact O-N 3.12Å; V622-L625 PolarHBondContact O-N 2.94Å; T623-L625 VanDerWaalsContact C-N 3.35Å; T623-L625 PolarHBondContact O-N 3.45Å; L625-Q628 PolarHBondContact O-N 3.45Å; L625-A629 PolarHBondContact O-N 3.38Å; L625-Y641 WeakPolarHBondContact CB-OH 3.42Å
626	V	96.8	Very high	92.7	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-45.4	174.1	174.8	0	0	0	0	110.4	V622 T623 Q628 A629 V630 L638 Y641 Y646 F648	V622-V626 HydrophobicContact CG1-CG2 4.2Å; V622-V626 VanDerWaalsContact O-CG2 3.3Å; V622-V626 WeakPolarHBondContact O-CG2 3.29Å; V622-V626 PolarHBondContact O-N 3.09Å; T623-V626 PolarHBondContact O-N 2.68Å; V626-Q628 VanDerWaalsContact C-N 3.28Å; V626-Q628 PolarHBondContact O-N 2.86Å; V626-A629 WeakPolarHBondContact O-CB 3.2Å; V626-A629 PolarHBondContact O-N 3.28Å; V626-A629 VanDerWaalsContact O-N 3.09Å; V626-V630 HydrophobicContact CG1-CG2 4.45Å; V626-V630 WeakPolarHBondContact O-CG2 3.35Å; V626-V630 PolarHBondContact O-N 2.95Å; V626-L638 HydrophobicContact CG1-CD2 4.04Å; V626-Y641 HydrophobicContact CG2-CD1 3.65Å; V626-Y641 HydrophobicContact CG2-CD2 3.7Å; V626-Y641 HydrophobicContact CG2-CE1 3.8Å; V626-Y641 HydrophobicContact CG2-CE2 3.82Å; V626-Y641 HydrophobicContact CG2-CG 3.61Å; V626-Y646 HydrophobicContact CB-CE1 4Å; V626-Y646 HydrophobicContact CG1-CD1 3.99Å; V626-Y646 HydrophobicContact CG1-CE1 3.56Å; V626-Y646 HydrophobicContact CG2-CD1 4.05Å; V626-Y646 HydrophobicContact CG2-CD2 4.03Å; V626-Y646 HydrophobicContact CG2-CE1 3.94Å; V626-Y646 HydrophobicContact CG2-CE2 3.93Å; V626-Y646 HydrophobicContact CG2-CG 4.09Å; V626-F648 HydrophobicContact CG1-CD1 4.21Å; V626-F648 HydrophobicContact CG1-CE1 3.86Å
627	H	96.4	Very high	93.1	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.046	22%	0.216	C	C	.	.	H	α-helix	trans	-65	-33.6	179.3	-73.6	-169.5	0	0	0	112.1	T623 K624 V630 S631 D652 R656 A658 V661	T623-H627 WeakPolarHBondContact O-CB 3.48Å; T623-H627 PolarHBondContact O-CD2 3.49Å; T623-H627 VanDerWaalsContact O-CG 3.27Å; T623-H627 PolarHBondContact O-N 2.98Å; K624-H627 PolarHBondContact O-N 2.91Å; H627-V630 WeakPolarHBondContact O-CB 3.03Å; H627-V630 PolarHBondContact O-N 2.78Å; H627-S631 PolarHBondContact O-N 2.99Å; H627-S631 PolarHBondContact O-OG 2.98Å; H627-D652 IonicContact ND1-OD2 3.52Å; H627-R656 PolarHBondContact CE1-O 2.86Å; H627-A658 PolarHBondContact NE2-N 3.41Å; H627-V661 HydrophobicContact CB-CG1 4.27Å; H627-V661 HydrophobicContact CB-CG2 4.21Å
628	Q	96.1	Very high	93.6	Very high	104 Å²	104	41.3 Å²	41.3	49%	0.486	21%	0.206	S	C	.	.	H	α-helix	trans	-62	-46.6	169.1	-175.2	62.2	47.2	0	0	111.5	K624 L625 V626 V630 S631 D632	K624-Q628 WeakPolarHBondContact O-CB 3.5Å; K624-Q628 PolarHBondContact O-N 3.36Å; L625-Q628 PolarHBondContact O-N 3.45Å; V626-Q628 VanDerWaalsContact C-N 3.28Å; V626-Q628 PolarHBondContact O-N 2.86Å; Q628-V630 VanDerWaalsContact C-N 3.25Å; Q628-V630 PolarHBondContact O-N 3.44Å; Q628-S631 WeakPolarHBondContact CA-OG 3.05Å; Q628-S631 PolarHBondContact O-N 2.76Å; Q628-S631 VanDerWaalsContact O-N 3.14Å; Q628-S631 PolarHBondContact O-OG 3.12Å; Q628-D632 VanDerWaalsContact NE2-CG 3.32Å; Q628-D632 PolarHBondContact NE2-OD1 2.98Å; Q628-D632 PolarHBondContact NE2-OD2 2.69Å; Q628-D632 WeakPolarHBondContact O-CB 3.5Å; Q628-D632 PolarHBondContact O-N 2.85Å
629	A	96.7	Very high	94.2	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.017	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-33.6	175.6	0	0	0	0	0	112.6	L625 V626 G633 D634 R637 L638	L625-A629 PolarHBondContact O-N 3.38Å; V626-A629 WeakPolarHBondContact O-CB 3.2Å; V626-A629 PolarHBondContact O-N 3.28Å; V626-A629 VanDerWaalsContact O-N 3.09Å; A629-G633 PolarHBondContact O-N 2.84Å; A629-D634 PolarHBondContact O-N 3.28Å; A629-R637 HydrophobicContact CB-CB 4.43Å; A629-R637 HydrophobicContact CB-CG 4.23Å; A629-L638 HydrophobicContact CB-CD2 3.84Å; A629-L638 HydrophobicContact CB-CG 4.38Å
630	V	97.4	Very high	94.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-45.8	172	173	0	0	0	0	111.4	V626 H627 Q628 D632 G633 L638 A658 V661 A662 Q667 S670	V626-V630 HydrophobicContact CG1-CG2 4.45Å; V626-V630 WeakPolarHBondContact O-CG2 3.35Å; V626-V630 PolarHBondContact O-N 2.95Å; H627-V630 WeakPolarHBondContact O-CB 3.03Å; H627-V630 PolarHBondContact O-N 2.78Å; Q628-V630 VanDerWaalsContact C-N 3.25Å; Q628-V630 PolarHBondContact O-N 3.44Å; V630-D632 PolarHBondContact O-N 2.97Å; V630-G633 PolarHBondContact O-N 3.08Å; V630-L638 HydrophobicContact CG2-CD1 4.01Å; V630-L638 HydrophobicContact CG2-CD2 3.54Å; V630-L638 HydrophobicContact CG2-CG 4.44Å; V630-A658 WeakPolarHBondContact CG1-O 3.14Å; V630-A658 HydrophobicContact CG2-CB 4.09Å; V630-V661 HydrophobicContact CB-CG1 4.47Å; V630-V661 HydrophobicContact CG1-CB 4.3Å; V630-V661 HydrophobicContact CG1-CG1 4.2Å; V630-A662 HydrophobicContact CG1-CB 3.47Å; V630-A662 VanDerWaalsContact CG1-CB 3.47Å; V630-Q667 WeakPolarHBondContact O-CG 3.34Å; V630-S670 PolarHBondContact O-OG 3.42Å
631	S	96.7	Very high	95.1	Very high	13 Å²	13	37.1 Å²	37.1	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-66.6	-26.1	178.6	62.2	0	0	0	0	112.9	H627 Q628 Q667	H627-S631 PolarHBondContact O-N 2.99Å; H627-S631 PolarHBondContact O-OG 2.98Å; Q628-S631 WeakPolarHBondContact CA-OG 3.05Å; Q628-S631 PolarHBondContact O-N 2.76Å; Q628-S631 VanDerWaalsContact O-N 3.14Å; Q628-S631 PolarHBondContact O-OG 3.12Å; S631-Q667 VanDerWaalsContact O-CG 3.27Å; S631-Q667 WeakPolarHBondContact O-CG 3.37Å; S631-Q667 PolarHBondContact O-NE2 3.5Å
632	D	95.7	Very high	95.2	Very high	96 Å²	96	36.8 Å²	36.8	51%	0.513	18%	0.179	S	C	.	.	H	α-helix	trans	-86.7	-12.2	179.2	-63.6	-17.6	0	0	0	113	Q628 V630 D634	Q628-D632 VanDerWaalsContact NE2-CG 3.32Å; Q628-D632 PolarHBondContact NE2-OD1 2.98Å; Q628-D632 PolarHBondContact NE2-OD2 2.69Å; Q628-D632 WeakPolarHBondContact O-CB 3.5Å; Q628-D632 PolarHBondContact O-N 2.85Å; V630-D632 PolarHBondContact O-N 2.97Å; D632-D634 VanDerWaalsContact C-N 3.35Å
633	G	95.6	Very high	95.1	Very high	18 Å²	18	40.6 Å²	40.6	19%	0.186	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	18.4	-176	0	0	0	0	0	114.2	A629 V630 I635 S670	A629-G633 PolarHBondContact O-N 2.84Å; V630-G633 PolarHBondContact O-N 3.08Å; G633-I635 PolarHBondContact O-N 2.86Å; G633-S670 WeakPolarHBondContact CA-OG 3.14Å
634	D	95.3	Very high	95.1	Very high	46 Å²	46	41.2 Å²	41.2	25%	0.246	20%	0.203	C	C	.	.			trans	-80.5	80.3	-174.2	-167.7	-27.5	0	0	0	112.2	A629 D632 Q636 R637 L638	A629-D634 PolarHBondContact O-N 3.28Å; D632-D634 VanDerWaalsContact C-N 3.35Å; D634-Q636 VanDerWaalsContact C-N 3.25Å; D634-Q636 PolarHBondContact O-N 3.1Å; D634-Q636 PolarHBondContact OD1-N 2.69Å; D634-R637 HydrophobicContact CB-CB 4.2Å; D634-R637 PolarHBondContact O-N 2.65Å; D634-R637 WeakPolarHBondContact OD1-CB 3.49Å; D634-R637 PolarHBondContact OD1-N 2.86Å; D634-R637 IonicContact OD2-CZ 2.76Å; D634-R637 IonicContact OD2-NH1 2.79Å; D634-R637 PolarHBondContact OD2-NH1 2.97Å; D634-L638 VanDerWaalsContact O-CG 3.31Å; D634-L638 WeakPolarHBondContact O-CG 3.27Å; D634-L638 PolarHBondContact O-N 3.3Å
635	I	94.5	Very high	94.9	Very high	33 Å²	33	36.4 Å²	36.4	17%	0.169	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-33.8	-176.8	-50.1	-50.3	0	0	0	112.3	G633 L638 R639 D669 F673	G633-I635 PolarHBondContact O-N 2.86Å; I635-L638 HydrophobicContact CD1-CD1 4.23Å; I635-L638 PolarHBondContact O-N 3.26Å; I635-R639 HydrophobicContact CG2-CG 4.42Å; I635-R639 VanDerWaalsContact O-CG 3.3Å; I635-R639 WeakPolarHBondContact O-CG 3.39Å; I635-R639 PolarHBondContact O-N 2.84Å; I635-D669 HydrophobicContact CD1-CB 4.01Å; I635-D669 HydrophobicContact CG1-CB 4.14Å; I635-F673 HydrophobicContact CD1-CB 4.12Å; I635-F673 HydrophobicContact CG2-CB 4.2Å; I635-F673 HydrophobicContact CG2-CD2 3.93Å; I635-F673 HydrophobicContact CG2-CG 4.04Å
636	Q	93.1	Very high	94.7	Very high	120 Å²	120	35.6 Å²	35.6	56%	0.561	19%	0.193	S	C	*	.	H	α-helix	trans	-67	-43.9	-179.5	-65.4	-60.6	-18.8	0	0	111	L600 D634 R639 L640	L600-Q636 HydrophobicContact CD2-CB 3.94Å; D634-Q636 VanDerWaalsContact C-N 3.25Å; D634-Q636 PolarHBondContact O-N 3.1Å; D634-Q636 PolarHBondContact OD1-N 2.69Å; Q636-R639 PolarHBondContact O-N 3.04Å; Q636-L640 PolarHBondContact O-N 3.25Å
637	R	95.3	Very high	94.5	Very high	40 Å²	40	37.6 Å²	37.6	15%	0.151	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-40.5	174.2	-173.1	171.9	-75.3	105.2	8.1	111.7	L595 S597 L600 A629 D634 R639 L640 Y641	L595-R637 VanDerWaalsContact O-CD 3.31Å; L595-R637 WeakPolarHBondContact O-CD 3.4Å; L595-R637 PolarHBondContact O-NE 3.32Å; S597-R637 PolarHBondContact O-NH2 2.82Å; L600-R637 HydrophobicContact CD2-CB 4.06Å; A629-R637 HydrophobicContact CB-CB 4.43Å; A629-R637 HydrophobicContact CB-CG 4.23Å; D634-R637 HydrophobicContact CB-CB 4.2Å; D634-R637 PolarHBondContact O-N 2.65Å; D634-R637 WeakPolarHBondContact OD1-CB 3.49Å; D634-R637 PolarHBondContact OD1-N 2.86Å; D634-R637 IonicContact OD2-CZ 2.76Å; D634-R637 IonicContact OD2-NH1 2.79Å; D634-R637 PolarHBondContact OD2-NH1 2.97Å; R637-R639 VanDerWaalsContact C-N 3.34Å; R637-R639 PolarHBondContact O-N 2.89Å; R637-L640 PolarHBondContact O-N 3.34Å; R637-Y641 HydrophobicContact CG-CD2 3.86Å; R637-Y641 HydrophobicContact CG-CE2 3.57Å; R637-Y641 VanDerWaalsContact O-CD2 3.27Å; R637-Y641 WeakPolarHBondContact O-CD2 3.49Å; R637-Y641 PolarHBondContact O-N 3.21Å
638	L	95.4	Very high	94.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-39.8	175.8	-63.4	176.4	0	0	0	112.5	V626 A629 V630 D634 I635 L640 Y641 Q642 F648 F673	V626-L638 HydrophobicContact CG1-CD2 4.04Å; A629-L638 HydrophobicContact CB-CD2 3.84Å; A629-L638 HydrophobicContact CB-CG 4.38Å; V630-L638 HydrophobicContact CG2-CD1 4.01Å; V630-L638 HydrophobicContact CG2-CD2 3.54Å; V630-L638 HydrophobicContact CG2-CG 4.44Å; D634-L638 VanDerWaalsContact O-CG 3.31Å; D634-L638 WeakPolarHBondContact O-CG 3.27Å; D634-L638 PolarHBondContact O-N 3.3Å; I635-L638 HydrophobicContact CD1-CD1 4.23Å; I635-L638 PolarHBondContact O-N 3.26Å; L638-L640 VanDerWaalsContact C-N 3.33Å; L638-L640 PolarHBondContact O-N 2.83Å; L638-Y641 PolarHBondContact O-N 2.93Å; L638-Q642 PolarHBondContact O-N 3.19Å; L638-F648 HydrophobicContact CB-CZ 4.37Å; L638-F648 HydrophobicContact CD2-CE1 4.04Å; L638-F673 HydrophobicContact CB-CD1 4.11Å; L638-F673 HydrophobicContact CB-CE1 3.64Å; L638-F673 HydrophobicContact CB-CZ 4.26Å; L638-F673 HydrophobicContact CD1-CD1 4.09Å; L638-F673 HydrophobicContact CD1-CE1 4.39Å
639	R	94.1	Very high	94.2	Very high	48 Å²	48	37.6 Å²	37.6	18%	0.181	20%	0.203	C	C	.	.	H	α-helix	trans	-61.2	-39.8	174.2	-75.2	177.4	-174.2	-71.1	-0.1	112.3	I635 Q636 R637 Q642 L643 F673 L697 Y699	I635-R639 HydrophobicContact CG2-CG 4.42Å; I635-R639 VanDerWaalsContact O-CG 3.3Å; I635-R639 WeakPolarHBondContact O-CG 3.39Å; I635-R639 PolarHBondContact O-N 2.84Å; Q636-R639 PolarHBondContact O-N 3.04Å; R637-R639 VanDerWaalsContact C-N 3.34Å; R637-R639 PolarHBondContact O-N 2.89Å; R639-Q642 WeakPolarHBondContact O-CB 3.4Å; R639-Q642 PolarHBondContact O-N 2.7Å; R639-L643 PolarHBondContact O-N 3.26Å; R639-F673 HydrophobicContact CG-CD2 4.37Å; R639-F673 HydrophobicContact CG-CE2 3.57Å; R639-F673 HydrophobicContact CG-CZ 3.98Å; R639-L697 PolarHBondContact NH1-O 3.34Å; R639-L697 VanDerWaalsContact NH1-O 3.17Å; R639-L697 PolarHBondContact NH2-O 2.98Å; R639-Y699 PolarHBondContact NH1-O 3.38Å; R639-Y699 PolarHBondContact NH2-O 3.36Å
640	L	94.7	Very high	93.8	Very high	14 Å²	14	39.2 Å²	39.2	7%	0.073	21%	0.211	C	C	.	.	H	α-helix	trans	-71.7	-35.5	176.5	-65	-176.8	0	0	0	112.8	L595 L600 V605 Q636 R637 L638 Q642 L643 C644	L595-L640 HydrophobicContact CD2-CB 3.57Å; L600-L640 HydrophobicContact CD1-CD1 3.63Å; L600-L640 HydrophobicContact CD2-CD1 3.65Å; L600-L640 HydrophobicContact CD2-CG 4.45Å; L600-L640 HydrophobicContact CG-CD1 3.42Å; L600-L640 VanDerWaalsContact CG-CD1 3.42Å; V605-L640 HydrophobicContact CG2-CD1 4.08Å; Q636-L640 PolarHBondContact O-N 3.25Å; R637-L640 PolarHBondContact O-N 3.34Å; L638-L640 VanDerWaalsContact C-N 3.33Å; L638-L640 PolarHBondContact O-N 2.83Å; L640-Q642 VanDerWaalsContact C-N 3.31Å; L640-Q642 PolarHBondContact O-N 3.32Å; L640-L643 HydrophobicContact CD2-CD2 4.05Å; L640-L643 WeakPolarHBondContact O-CB 3.3Å; L640-L643 PolarHBondContact O-N 3.06Å; L640-C644 PolarHBondContact O-N 3.48Å; L640-C644 PolarHBondContact O-SG 3.38Å
641	Y	95.3	Very high	93.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-40.8	169.6	-80.4	-62.6	0	0	0	111.9	L592 L595 N596 L615 V622 L625 V626 R637 L638 C644 G645 Y646	L592-Y641 HydrophobicContact CD1-CE1 4.21Å; L595-Y641 HydrophobicContact CB-CE1 4.07Å; L595-Y641 HydrophobicContact CD1-CD1 3.84Å; L595-Y641 HydrophobicContact CD1-CE1 3.7Å; L595-Y641 HydrophobicContact CD2-CD1 4.49Å; L595-Y641 HydrophobicContact CG-CE1 4.36Å; N596-Y641 VanDerWaalsContact CG-OH 3.29Å; N596-Y641 PolarHBondContact ND2-OH 2.91Å; N596-Y641 PolarHBondContact OD1-OH 2.92Å; L615-Y641 HydrophobicContact CD2-CD1 3.87Å; L615-Y641 HydrophobicContact CD2-CE1 4.48Å; V622-Y641 HydrophobicContact CG1-CE1 4.36Å; L625-Y641 WeakPolarHBondContact CB-OH 3.42Å; V626-Y641 HydrophobicContact CG2-CD1 3.65Å; V626-Y641 HydrophobicContact CG2-CD2 3.7Å; V626-Y641 HydrophobicContact CG2-CE1 3.8Å; V626-Y641 HydrophobicContact CG2-CE2 3.82Å; V626-Y641 HydrophobicContact CG2-CG 3.61Å; R637-Y641 HydrophobicContact CG-CD2 3.86Å; R637-Y641 HydrophobicContact CG-CE2 3.57Å; R637-Y641 VanDerWaalsContact O-CD2 3.27Å; R637-Y641 WeakPolarHBondContact O-CD2 3.49Å; R637-Y641 PolarHBondContact O-N 3.21Å; L638-Y641 PolarHBondContact O-N 2.93Å; Y641-C644 PolarHBondContact O-N 3.08Å; Y641-G645 PolarHBondContact O-N 3.14Å; Y641-Y646 WeakPolarHBondContact O-CB 3.43Å; Y641-Y646 PolarHBondContact O-N 3.24Å
642	Q	93	Very high	93.2	Very high	38 Å²	38	43.1 Å²	43.1	18%	0.178	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-44.1	173.8	-168.1	-178.3	6.4	0	0	111.8	L638 R639 L640 C644 G645 F648 F673 G700	L638-Q642 PolarHBondContact O-N 3.19Å; R639-Q642 WeakPolarHBondContact O-CB 3.4Å; R639-Q642 PolarHBondContact O-N 2.7Å; L640-Q642 VanDerWaalsContact C-N 3.31Å; L640-Q642 PolarHBondContact O-N 3.32Å; Q642-C644 PolarHBondContact O-N 3.18Å; Q642-G645 PolarHBondContact O-N 3.15Å; Q642-F648 HydrophobicContact CB-CE2 3.87Å; Q642-F648 HydrophobicContact CB-CZ 4.32Å; Q642-F648 HydrophobicContact CG-CE2 4.11Å; Q642-F673 VanDerWaalsContact OE1-CZ 3.29Å; Q642-G700 PolarHBondContact NE2-O 2.98Å; Q642-G700 VanDerWaalsContact NE2-O 3.08Å
643	L	91.6	Very high	92.7	Very high	86 Å²	86	46.8 Å²	46.8	45%	0.45	24%	0.244	S	C	.	.	H	α-helix	trans	-57.5	-39	175.8	179.6	66.2	0	0	0	111.6	V605 L609 R639 L640 G645	V605-L643 HydrophobicContact CG1-CD2 4.3Å; L609-L643 HydrophobicContact CD1-CD2 4.38Å; L609-L643 HydrophobicContact CD1-CG 4.1Å; R639-L643 PolarHBondContact O-N 3.26Å; L640-L643 HydrophobicContact CD2-CD2 4.05Å; L640-L643 WeakPolarHBondContact O-CB 3.3Å; L640-L643 PolarHBondContact O-N 3.06Å; L643-G645 PolarHBondContact O-N 3.42Å
644	C	92.5	Very high	92.3	Very high	15 Å²	15	51.2 Å²	51.2	10%	0.101	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	4.1	175.6	-65.6	0	0	0	0	114.2	V605 L615 L640 Y641 Q642	V605-C644 VanDerWaalsContact CG1-SG 3.57Å; L615-C644 HydrophobicContact CB-CB 3.94Å; L615-C644 HydrophobicContact CD2-CB 3.74Å; L615-C644 HydrophobicContact CG-CB 4.46Å; L640-C644 PolarHBondContact O-N 3.48Å; L640-C644 PolarHBondContact O-SG 3.38Å; Y641-C644 PolarHBondContact O-N 3.08Å; Q642-C644 PolarHBondContact O-N 3.18Å
645	G	90.1	Very high	91.9	Very high	55 Å²	55	49.2 Å²	49.2	57%	0.567	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	18.2	177.3	0	0	0	0	0	115.3	Y641 Q642 L643 S647	Y641-G645 PolarHBondContact O-N 3.14Å; Q642-G645 PolarHBondContact O-N 3.15Å; L643-G645 PolarHBondContact O-N 3.42Å; G645-S647 PolarHBondContact O-N 3.23Å
646	Y	93.4	Very high	91.8	Very high	10 Å²	10	49.9 Å²	49.9	4%	0.039	25%	0.251	C	S	.	.			trans	-64.1	134.9	175.3	-174.4	-97.6	0	0	0	111.6	L615 S617 V622 T623 V626 Y641 F648 N650	L615-Y646 HydrophobicContact CD2-CD2 4.37Å; S617-Y646 WeakPolarHBondContact O-CE2 3.2Å; V622-Y646 HydrophobicContact CG1-CD2 3.73Å; V622-Y646 HydrophobicContact CG1-CE2 3.79Å; T623-Y646 WeakPolarHBondContact CA-OH 3.36Å; T623-Y646 PolarHBondContact OG1-OH 3.16Å; T623-Y646 VanDerWaalsContact OG1-OH 3.09Å; V626-Y646 HydrophobicContact CB-CE1 4Å; V626-Y646 HydrophobicContact CG1-CD1 3.99Å; V626-Y646 HydrophobicContact CG1-CE1 3.56Å; V626-Y646 HydrophobicContact CG2-CD1 4.05Å; V626-Y646 HydrophobicContact CG2-CD2 4.03Å; V626-Y646 HydrophobicContact CG2-CE1 3.94Å; V626-Y646 HydrophobicContact CG2-CE2 3.93Å; V626-Y646 HydrophobicContact CG2-CG 4.09Å; Y641-Y646 WeakPolarHBondContact O-CB 3.43Å; Y641-Y646 PolarHBondContact O-N 3.24Å; Y646-F648 HydrophobicContact CD1-CD1 4.02Å; Y646-F648 HydrophobicContact CD1-CE1 4.11Å; Y646-F648 HydrophobicContact CD1-CG 4.3Å; Y646-F648 HydrophobicContact CD1-CZ 4.49Å; Y646-F648 HydrophobicContact CE1-CD1 4.07Å; Y646-F648 HydrophobicContact CE1-CE1 4.45Å; Y646-N650 HydrophobicContact CE2-CB 4.45Å
647	S	91.6	Very high	91.8	Very high	41 Å²	41	44.4 Å²	44.4	29%	0.287	23%	0.225	S	C	.	.			trans	-93.3	115.3	174.2	-167.3	0	0	0	0	110.7	G645 Y649 N650	G645-S647 PolarHBondContact O-N 3.23Å; S647-Y649 PolarHBondContact O-N 3.03Å; S647-N650 VanDerWaalsContact O-CB 3.31Å; S647-N650 WeakPolarHBondContact O-CB 3.47Å; S647-N650 VanDerWaalsContact O-CG 3.27Å; S647-N650 PolarHBondContact O-N 2.61Å
648	F	93.7	Very high	91.8	Very high	7 Å²	7	42.5 Å²	42.5	3%	0.031	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	0.3	175.8	-65.9	-76.9	0	0	0	114.4	V626 L638 Q642 Y646 A658 F673 L674 A701 V703	V626-F648 HydrophobicContact CG1-CD1 4.21Å; V626-F648 HydrophobicContact CG1-CE1 3.86Å; L638-F648 HydrophobicContact CB-CZ 4.37Å; L638-F648 HydrophobicContact CD2-CE1 4.04Å; Q642-F648 HydrophobicContact CB-CE2 3.87Å; Q642-F648 HydrophobicContact CB-CZ 4.32Å; Q642-F648 HydrophobicContact CG-CE2 4.11Å; Y646-F648 HydrophobicContact CD1-CD1 4.02Å; Y646-F648 HydrophobicContact CD1-CE1 4.11Å; Y646-F648 HydrophobicContact CD1-CG 4.3Å; Y646-F648 HydrophobicContact CD1-CZ 4.49Å; Y646-F648 HydrophobicContact CE1-CD1 4.07Å; Y646-F648 HydrophobicContact CE1-CE1 4.45Å; F648-A658 HydrophobicContact CB-CB 4.13Å; F648-A658 HydrophobicContact CD1-CB 3.8Å; F648-A658 HydrophobicContact CG-CB 4.46Å; F648-F673 HydrophobicContact CE2-CE1 4.19Å; F648-F673 AromaticContact CZ-CE1 3.9Å; F648-F673 HydrophobicContact CZ-CE1 3.9Å; F648-F673 HydrophobicContact CZ-CZ 4.48Å; F648-L674 HydrophobicContact CB-CD2 3.86Å; F648-L674 HydrophobicContact CD1-CD2 3.47Å; F648-L674 VanDerWaalsContact CD1-CD2 3.47Å; F648-L674 HydrophobicContact CD2-CD2 4.17Å; F648-L674 HydrophobicContact CE1-CD2 4Å; F648-L674 HydrophobicContact CG-CD2 3.56Å; F648-A701 HydrophobicContact CD2-CB 3.5Å; F648-A701 VanDerWaalsContact CD2-CB 3.5Å; F648-A701 HydrophobicContact CE2-CB 3.69Å; F648-A701 HydrophobicContact CG-CB 4.31Å; F648-V703 HydrophobicContact CB-CG2 3.53Å; F648-V703 HydrophobicContact CG-CG2 4.41Å
649	Y	91.8	Very high	91.8	Very high	108 Å²	108	42.5 Å²	42.5	42%	0.424	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-12.8	168.1	-65.9	-81.4	0	0	0	113.1	S647 G702 V703 D704 C707	S647-Y649 PolarHBondContact O-N 3.03Å; Y649-G702 PolarHBondContact OH-O 2.86Å; Y649-V703 HydrophobicContact CE1-CG1 4.12Å; Y649-D704 PolarHBondContact OH-N 3.14Å; Y649-C707 HydrophobicContact CD1-CB 4.4Å; Y649-C707 HydrophobicContact CE1-CB 4.33Å
650	N	89.9	Confident	91.9	Very high	35 Å²	35	40.2 Å²	40.2	19%	0.187	21%	0.209	C	C	.	.			trans	-62.6	140.3	177	-67.5	-7.5	0	0	0	109.8	S617 Y646 S647	S617-N650 VanDerWaalsContact C-ND2 3.31Å; S617-N650 PolarHBondContact O-ND2 3.27Å; Y646-N650 HydrophobicContact CE2-CB 4.45Å; S647-N650 VanDerWaalsContact O-CB 3.31Å; S647-N650 WeakPolarHBondContact O-CB 3.47Å; S647-N650 VanDerWaalsContact O-CG 3.27Å; S647-N650 PolarHBondContact O-N 2.61Å
651	M	90.4	Very high	91.9	Very high	74 Å²	74	39.8 Å²	39.8	37%	0.365	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-107.2	143.1	-174.1	-64.2	-176	-70.7	0	0	110.7	R656 I710	M651-R656 CarbonylContact C-O 3.56Å; M651-R656 WeakPolarHBondContact CA-O 3.5Å; M651-I710 HydrophobicContact SD-CB 4.37Å
652	D	90.2	Very high	92	Very high	22 Å²	22	39.8 Å²	39.8	12%	0.118	21%	0.208	C	C	.	.			trans	-70.9	178.1	171.4	60.9	16.4	0	0	0	112.1	T623 H627 E654 G655 R656	T623-D652 HydrophobicContact CG2-CB 4.12Å; H627-D652 IonicContact ND1-OD2 3.52Å; D652-E654 PolarHBondContact O-N 3.23Å; D652-E654 VanDerWaalsContact O-N 3.13Å; D652-E654 WeakPolarHBondContact OD1-CA 3.42Å; D652-E654 WeakPolarHBondContact OD1-CB 3.37Å; D652-E654 PolarHBondContact OD1-N 3.31Å; D652-E654 VanDerWaalsContact OD1-N 3.11Å; D652-G655 WeakPolarHBondContact O-CA 3.49Å; D652-G655 PolarHBondContact O-N 2.95Å; D652-G655 PolarHBondContact OD1-N 3.36Å; D652-R656 PolarHBondContact N-O 2.59Å; D652-R656 WeakPolarHBondContact OD1-CB 3.44Å; D652-R656 PolarHBondContact OD1-N 2.78Å; D652-R656 IonicContact OD1-NE 3.8Å; D652-R656 IonicContact OD2-CZ 3.1Å; D652-R656 IonicContact OD2-NE 2.9Å; D652-R656 PolarHBondContact OD2-NE 2.86Å; D652-R656 IonicContact OD2-NH2 2.85Å; D652-R656 PolarHBondContact OD2-NH2 2.8Å
653	E	84.5	Confident	92.1	Very high	172 Å²	172	38 Å²	38	80%	0.804	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.5	175.5	-61.3	-174.5	168.1	0	0	113.1	G655	E653-G655 VanDerWaalsContact C-N 3.31Å
654	E	87	Confident	92.2	Very high	111 Å²	111	35.6 Å²	35.6	52%	0.519	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	7.4	174.1	-64.4	167.2	-129.8	0	0	111.5	D652 R656 W711	D652-E654 PolarHBondContact O-N 3.23Å; D652-E654 VanDerWaalsContact O-N 3.13Å; D652-E654 WeakPolarHBondContact OD1-CA 3.42Å; D652-E654 WeakPolarHBondContact OD1-CB 3.37Å; D652-E654 PolarHBondContact OD1-N 3.31Å; D652-E654 VanDerWaalsContact OD1-N 3.11Å; E654-R656 VanDerWaalsContact C-N 3.32Å; E654-R656 PolarHBondContact O-N 2.67Å; E654-R656 IonicContact OE1-CZ 2.87Å; E654-R656 IonicContact OE1-NH2 2.69Å; E654-R656 PolarHBondContact OE1-NH2 2.8Å; E654-R656 VanDerWaalsContact OE1-NH2 3.1Å; E654-R656 IonicContact OE2-CZ 3.94Å; E654-R656 IonicContact OE2-NE 2.79Å; E654-R656 IonicContact OE2-NH1 3.43Å; E654-R656 PolarHBondContact OE2-NH1 2.9Å; E654-R656 IonicContact OE2-NH2 3.9Å; E654-R656 PolarHBondContact OE2-NH2 3.38Å; E654-W711 WeakPolarHBondContact O-CH2 3.29Å; E654-W711 WeakPolarHBondContact O-CZ3 3.33Å
655	G	88.8	Confident	92.3	Very high	5 Å²	5	39.5 Å²	39.5	5%	0.052	21%	0.205	C	C	.	.	S	Bend	trans	69.8	21.8	175.9	0	0	0	0	0	115.3	D652 E653 T709 I710	D652-G655 WeakPolarHBondContact O-CA 3.49Å; D652-G655 PolarHBondContact O-N 2.95Å; D652-G655 PolarHBondContact OD1-N 3.36Å; E653-G655 VanDerWaalsContact C-N 3.31Å; G655-T709 WeakPolarHBondContact O-CA 3.33Å; G655-T709 VanDerWaalsContact O-CB 3.26Å; G655-T709 WeakPolarHBondContact O-CB 3.38Å; G655-I710 PolarHBondContact O-N 2.98Å; G655-I710 VanDerWaalsContact O-N 3.07Å
656	R	91.7	Very high	92.5	Very high	47 Å²	47	43.5 Å²	43.5	18%	0.177	20%	0.203	C	C	.	.			trans	-101.8	139.1	176.7	-61.4	179.4	-57.7	-146.6	-7.6	110.7	H627 M651 D652 E654 H660 V661 T709 W711	H627-R656 PolarHBondContact CE1-O 2.86Å; M651-R656 CarbonylContact C-O 3.56Å; M651-R656 WeakPolarHBondContact CA-O 3.5Å; D652-R656 PolarHBondContact N-O 2.59Å; D652-R656 WeakPolarHBondContact OD1-CB 3.44Å; D652-R656 PolarHBondContact OD1-N 2.78Å; D652-R656 IonicContact OD1-NE 3.8Å; D652-R656 IonicContact OD2-CZ 3.1Å; D652-R656 IonicContact OD2-NE 2.9Å; D652-R656 PolarHBondContact OD2-NE 2.86Å; D652-R656 IonicContact OD2-NH2 2.85Å; D652-R656 PolarHBondContact OD2-NH2 2.8Å; E654-R656 VanDerWaalsContact C-N 3.32Å; E654-R656 PolarHBondContact O-N 2.67Å; E654-R656 IonicContact OE1-CZ 2.87Å; E654-R656 IonicContact OE1-NH2 2.69Å; E654-R656 PolarHBondContact OE1-NH2 2.8Å; E654-R656 VanDerWaalsContact OE1-NH2 3.1Å; E654-R656 IonicContact OE2-CZ 3.94Å; E654-R656 IonicContact OE2-NE 2.79Å; E654-R656 IonicContact OE2-NH1 3.43Å; E654-R656 PolarHBondContact OE2-NH1 2.9Å; E654-R656 IonicContact OE2-NH2 3.9Å; E654-R656 PolarHBondContact OE2-NH2 3.38Å; R656-H660 HydrophobicContact CB-CB 3.91Å; R656-H660 HydrophobicContact CG-CB 4.36Å; R656-V661 HydrophobicContact CB-CG2 4.39Å; R656-T709 HydrophobicContact CG-CG2 4.39Å; R656-W711 HydrophobicContact CG-CH2 4.18Å; R656-W711 HydrophobicContact CG-CZ2 4.42Å
657	S	93.7	Very high	92.6	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.028	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-83	171.4	168.8	74.4	0	0	0	0	112	L659 H660 V661 C707	S657-L659 PolarHBondContact O-N 3.34Å; S657-H660 PolarHBondContact N-ND1 2.75Å; S657-H660 WeakPolarHBondContact O-CB 3.25Å; S657-H660 PolarHBondContact O-N 3.35Å; S657-H660 PolarHBondContact OG-CE1 3.21Å; S657-H660 PolarHBondContact OG-ND1 2.86Å; S657-V661 PolarHBondContact O-N 3.4Å; S657-C707 PolarHBondContact OG-SG 3.31Å
658	A	95.4	Very high	92.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-51.7	-39.8	175.4	0	0	0	0	0	113	H627 V630 F648 H660 V661 A662 L674	H627-A658 PolarHBondContact NE2-N 3.41Å; V630-A658 WeakPolarHBondContact CG1-O 3.14Å; V630-A658 HydrophobicContact CG2-CB 4.09Å; F648-A658 HydrophobicContact CB-CB 4.13Å; F648-A658 HydrophobicContact CD1-CB 3.8Å; F648-A658 HydrophobicContact CG-CB 4.46Å; A658-H660 PolarHBondContact O-N 2.77Å; A658-V661 PolarHBondContact O-N 3.21Å; A658-A662 PolarHBondContact O-N 3.47Å; A658-L674 HydrophobicContact CB-CD1 4.13Å; A658-L674 HydrophobicContact CB-CD2 4.19Å
659	L	95.4	Very high	92.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.7	-39.7	179.9	-173.1	61.7	0	0	0	112.4	S657 A662 V663 I671 L674 I675 V703 A715 L731	S657-L659 PolarHBondContact O-N 3.34Å; L659-A662 PolarHBondContact O-N 3.26Å; L659-V663 WeakPolarHBondContact O-CG2 3.18Å; L659-V663 PolarHBondContact O-N 2.97Å; L659-I671 HydrophobicContact CD1-CG2 4.26Å; L659-L674 HydrophobicContact CB-CD1 4.39Å; L659-L674 HydrophobicContact CD1-CB 4.21Å; L659-L674 HydrophobicContact CD1-CD1 4.24Å; L659-I675 HydrophobicContact CD1-CG2 3.93Å; L659-I675 HydrophobicContact CD2-CG2 4.33Å; L659-V703 HydrophobicContact CB-CG1 4.34Å; L659-V703 HydrophobicContact CD2-CG1 4.34Å; L659-A715 HydrophobicContact CB-CB 4.46Å; L659-A715 HydrophobicContact CD2-CB 3.63Å; L659-A715 HydrophobicContact CG-CB 3.65Å; L659-L731 HydrophobicContact CD1-CD2 4.35Å; L659-L731 HydrophobicContact CD2-CD2 4.49Å
660	H	95	Very high	92.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-40.5	176.7	-65.3	95.5	0	0	0	112	R656 S657 A658 V663 T664 C707 T709 T713 A715 E718	R656-H660 HydrophobicContact CB-CB 3.91Å; R656-H660 HydrophobicContact CG-CB 4.36Å; S657-H660 PolarHBondContact N-ND1 2.75Å; S657-H660 WeakPolarHBondContact O-CB 3.25Å; S657-H660 PolarHBondContact O-N 3.35Å; S657-H660 PolarHBondContact OG-CE1 3.21Å; S657-H660 PolarHBondContact OG-ND1 2.86Å; A658-H660 PolarHBondContact O-N 2.77Å; H660-V663 PolarHBondContact O-N 2.96Å; H660-T664 WeakPolarHBondContact O-CB 3.34Å; H660-T664 PolarHBondContact O-N 3.17Å; H660-T664 PolarHBondContact O-OG1 3.04Å; H660-C707 PolarHBondContact CE1-O 3.12Å; H660-T709 VanDerWaalsContact CD2-CG2 3.47Å; H660-T709 WeakPolarHBondContact CD2-CG2 3.48Å; H660-T709 WeakPolarHBondContact NE2-CG2 3.36Å; H660-T713 PolarHBondContact NE2-O 3.41Å; H660-A715 PolarHBondContact NE2-N 2.86Å; H660-E718 WeakPolarHBondContact CB-OE2 3.41Å; H660-E718 IonicContact CD2-OE2 3.79Å; H660-E718 PolarHBondContact CD2-OE2 3.19Å; H660-E718 IonicContact CG-OE2 3.8Å
661	V	95.6	Very high	93	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.036	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-43	174.9	177.7	0	0	0	0	111	H627 V630 R656 S657 A658 V663 T664 H665	H627-V661 HydrophobicContact CB-CG1 4.27Å; H627-V661 HydrophobicContact CB-CG2 4.21Å; V630-V661 HydrophobicContact CB-CG1 4.47Å; V630-V661 HydrophobicContact CG1-CB 4.3Å; V630-V661 HydrophobicContact CG1-CG1 4.2Å; R656-V661 HydrophobicContact CB-CG2 4.39Å; S657-V661 PolarHBondContact O-N 3.4Å; A658-V661 PolarHBondContact O-N 3.21Å; V661-V663 PolarHBondContact O-N 2.84Å; V661-T664 PolarHBondContact O-N 3.4Å; V661-H665 PolarHBondContact O-N 3.45Å; V661-H665 VanDerWaalsContact O-N 3.08Å; V661-H665 PolarHBondContact O-ND1 3.31Å
662	A	96.3	Very high	93.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-43	178.5	0	0	0	0	0	111.9	V630 A658 L659 R666 Q667 I671 L674	V630-A662 HydrophobicContact CG1-CB 3.47Å; V630-A662 VanDerWaalsContact CG1-CB 3.47Å; A658-A662 PolarHBondContact O-N 3.47Å; L659-A662 PolarHBondContact O-N 3.26Å; A662-R666 PolarHBondContact O-N 3.44Å; A662-R666 VanDerWaalsContact O-N 3.14Å; A662-Q667 PolarHBondContact O-N 2.62Å; A662-I671 HydrophobicContact CB-CD1 4.5Å; A662-I671 HydrophobicContact CB-CG1 3.6Å; A662-L674 HydrophobicContact CB-CD1 4.09Å
663	V	95.1	Very high	93.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.5	-45.3	175.3	173.6	0	0	0	0	111.1	L659 H660 V661 H665 R666 I671 A715 E718 A719 F724 I727 L731	L659-V663 WeakPolarHBondContact O-CG2 3.18Å; L659-V663 PolarHBondContact O-N 2.97Å; H660-V663 PolarHBondContact O-N 2.96Å; V661-V663 PolarHBondContact O-N 2.84Å; V663-H665 VanDerWaalsContact C-N 3.27Å; V663-H665 PolarHBondContact O-N 3Å; V663-R666 PolarHBondContact O-N 3.18Å; V663-R666 VanDerWaalsContact O-N 3.07Å; V663-I671 HydrophobicContact CG2-CD1 4.08Å; V663-I671 HydrophobicContact CG2-CG1 4.39Å; V663-A715 HydrophobicContact CG2-CB 4.22Å; V663-E718 HydrophobicContact CB-CG 4.29Å; V663-E718 HydrophobicContact CG1-CB 4.34Å; V663-E718 HydrophobicContact CG1-CG 3.72Å; V663-A719 HydrophobicContact CG1-CB 3.72Å; V663-F724 VanDerWaalsContact O-CE2 3.29Å; V663-F724 WeakPolarHBondContact O-CE2 3.35Å; V663-I727 HydrophobicContact CG1-CG2 4.29Å; V663-I727 HydrophobicContact CG2-CG2 3.98Å; V663-L731 HydrophobicContact CG2-CD1 4.11Å
664	T	93.6	Very high	93.8	Very high	36 Å²	36	35.9 Å²	35.9	22%	0.221	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-37.3	-179.2	-65.8	0	0	0	0	112.5	H660 V661 E718 R722	H660-T664 WeakPolarHBondContact O-CB 3.34Å; H660-T664 PolarHBondContact O-N 3.17Å; H660-T664 PolarHBondContact O-OG1 3.04Å; V661-T664 PolarHBondContact O-N 3.4Å; T664-E718 PolarHBondContact OG1-OE1 3.14Å; T664-R722 PolarHBondContact OG1-NH2 3.21Å
665	H	94.5	Very high	94	Very high	97 Å²	97	31 Å²	31	45%	0.449	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	3.9	179.2	-64.6	84.4	0	0	0	113.7	V661 V663 Q667	V661-H665 PolarHBondContact O-N 3.45Å; V661-H665 VanDerWaalsContact O-N 3.08Å; V661-H665 PolarHBondContact O-ND1 3.31Å; V663-H665 VanDerWaalsContact C-N 3.27Å; V663-H665 PolarHBondContact O-N 3Å; H665-Q667 HydrophobicContact CB-CG 3.94Å; H665-Q667 PolarHBondContact O-N 2.92Å
666	R	95	Very high	94.1	Very high	138 Å²	138	31.7 Å²	31.7	52%	0.521	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	37.8	-176.5	-158	-179.3	171.2	-148.2	-5.2	113.3	A662 V663 L668 F724 D726 I727	A662-R666 PolarHBondContact O-N 3.44Å; A662-R666 VanDerWaalsContact O-N 3.14Å; V663-R666 PolarHBondContact O-N 3.18Å; V663-R666 VanDerWaalsContact O-N 3.07Å; R666-L668 PolarHBondContact O-N 3.44Å; R666-F724 HydrophobicContact CB-CD2 4.47Å; R666-F724 HydrophobicContact CB-CE2 4.14Å; R666-F724 HydrophobicContact CB-CZ 4.35Å; R666-F724 HydrophobicContact CG-CD2 4.35Å; R666-F724 HydrophobicContact CG-CE2 4.43Å; R666-F724 HydrophobicContact CG-CG 4.43Å; R666-D726 IonicContact CZ-OD2 3.06Å; R666-D726 IonicContact NE-OD1 3.71Å; R666-D726 IonicContact NE-OD2 2.75Å; R666-D726 PolarHBondContact NE-OD2 3.2Å; R666-D726 VanDerWaalsContact NE-OD2 3.14Å; R666-D726 IonicContact NH2-OD1 3.73Å; R666-D726 IonicContact NH2-OD2 3.36Å; R666-D726 PolarHBondContact NH2-OD2 3.09Å; R666-I727 HydrophobicContact CB-CD1 4.26Å; R666-I727 HydrophobicContact CG-CD1 3.73Å
667	Q	95.3	Very high	93.8	Very high	53 Å²	53	33.8 Å²	33.8	25%	0.248	17%	0.168	C	C	.	.			trans	-86	87.5	-178.7	-72	-65.6	-1.6	0	0	111.6	V630 S631 A662 H665 D669 S670 I671	V630-Q667 WeakPolarHBondContact O-CG 3.34Å; S631-Q667 VanDerWaalsContact O-CG 3.27Å; S631-Q667 WeakPolarHBondContact O-CG 3.37Å; S631-Q667 PolarHBondContact O-NE2 3.5Å; A662-Q667 PolarHBondContact O-N 2.62Å; H665-Q667 HydrophobicContact CB-CG 3.94Å; H665-Q667 PolarHBondContact O-N 2.92Å; Q667-D669 VanDerWaalsContact C-N 3.32Å; Q667-D669 PolarHBondContact O-N 2.77Å; Q667-S670 PolarHBondContact O-N 3.37Å; Q667-I671 VanDerWaalsContact O-CG1 3.3Å; Q667-I671 WeakPolarHBondContact O-CG1 3.37Å; Q667-I671 PolarHBondContact O-N 3.41Å
668	L	93	Very high	93.2	Very high	60 Å²	60	38 Å²	38	31%	0.314	19%	0.19	S	C	.	.	H	α-helix	trans	-58.7	-40.2	-174.6	-68.7	174.1	0	0	0	113.1	R666 I671 K672 I727	R666-L668 PolarHBondContact O-N 3.44Å; L668-I671 PolarHBondContact O-N 3.47Å; L668-K672 WeakPolarHBondContact O-CG 3.37Å; L668-K672 PolarHBondContact O-N 3.31Å; L668-I727 HydrophobicContact CD2-CD1 4.42Å; L668-I727 HydrophobicContact CD2-CG1 3.68Å
669	D	93.7	Very high	92	Very high	90 Å²	90	44 Å²	44	48%	0.481	21%	0.213	S	C	.	.	H	α-helix	trans	-70.6	-38.7	-177.7	-63	-36.1	0	0	0	111.6	I635 Q667 K672 F673	I635-D669 HydrophobicContact CD1-CB 4.01Å; I635-D669 HydrophobicContact CG1-CB 4.14Å; Q667-D669 VanDerWaalsContact C-N 3.32Å; Q667-D669 PolarHBondContact O-N 2.77Å; D669-K672 PolarHBondContact O-N 3.43Å; D669-K672 IonicContact OD1-NZ 3.78Å; D669-F673 WeakPolarHBondContact O-CB 2.92Å; D669-F673 PolarHBondContact O-N 3.29Å
670	S	95.4	Very high	90.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-40.6	173.8	-61.5	0	0	0	0	111.5	V630 G633 Q667 F673 L674	V630-S670 PolarHBondContact O-OG 3.42Å; G633-S670 WeakPolarHBondContact CA-OG 3.14Å; Q667-S670 PolarHBondContact O-N 3.37Å; S670-F673 PolarHBondContact O-N 2.9Å; S670-L674 WeakPolarHBondContact O-CB 3.29Å; S670-L674 WeakPolarHBondContact O-CG 3.47Å; S670-L674 PolarHBondContact O-N 2.9Å
671	I	94.5	Very high	88.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-48.9	175.7	-64.7	162.8	0	0	0	110.3	L659 A662 V663 Q667 L668 F673 L674 I675 I727 L730 L731	L659-I671 HydrophobicContact CD1-CG2 4.26Å; A662-I671 HydrophobicContact CB-CD1 4.5Å; A662-I671 HydrophobicContact CB-CG1 3.6Å; V663-I671 HydrophobicContact CG2-CD1 4.08Å; V663-I671 HydrophobicContact CG2-CG1 4.39Å; Q667-I671 VanDerWaalsContact O-CG1 3.3Å; Q667-I671 WeakPolarHBondContact O-CG1 3.37Å; Q667-I671 PolarHBondContact O-N 3.41Å; L668-I671 PolarHBondContact O-N 3.47Å; I671-F673 VanDerWaalsContact C-N 3.33Å; I671-F673 PolarHBondContact O-N 2.99Å; I671-L674 PolarHBondContact O-N 3.05Å; I671-I675 HydrophobicContact CG2-CD1 4.24Å; I671-I675 VanDerWaalsContact O-CG1 3.32Å; I671-I675 WeakPolarHBondContact O-CG1 3.27Å; I671-I675 PolarHBondContact O-N 3.11Å; I671-I675 VanDerWaalsContact O-N 3.09Å; I671-I727 HydrophobicContact CD1-CB 4.45Å; I671-I727 HydrophobicContact CD1-CD1 3.55Å; I671-I727 HydrophobicContact CD1-CG1 3.73Å; I671-I727 HydrophobicContact CD1-CG2 3.91Å; I671-L730 HydrophobicContact CB-CD2 4.18Å; I671-L730 HydrophobicContact CG2-CD2 3.58Å; I671-L730 HydrophobicContact CG2-CG 4.38Å; I671-L731 HydrophobicContact CG2-CD2 3.95Å
672	K	93.2	Very high	85.7	Confident	98 Å²	98	64.6 Å²	64.6	43%	0.426	31%	0.312	S	S	.	.	H	α-helix	trans	-57.9	-45.4	177.1	-72.2	171.9	-170.9	165	0	111.8	L668 D669 S676 L730	L668-K672 WeakPolarHBondContact O-CG 3.37Å; L668-K672 PolarHBondContact O-N 3.31Å; D669-K672 PolarHBondContact O-N 3.43Å; D669-K672 IonicContact OD1-NZ 3.78Å; K672-S676 VanDerWaalsContact O-CB 3.26Å; K672-S676 WeakPolarHBondContact O-CB 3.45Å; K672-S676 PolarHBondContact O-N 2.65Å; K672-S676 VanDerWaalsContact O-N 3.14Å; K672-S676 PolarHBondContact O-OG 3.07Å; K672-L730 HydrophobicContact CG-CD1 4.34Å; K672-L730 HydrophobicContact CG-CD2 3.87Å
673	F	94.1	Very high	83	Confident	8 Å²	8	71.9 Å²	71.9	4%	0.035	35%	0.351	C	S	.	.	H	α-helix	trans	-62.3	-44.9	177.5	169.3	-102.9	0	0	0	111.5	I635 L638 R639 Q642 F648 D669 S670 I671 G700 A701	I635-F673 HydrophobicContact CD1-CB 4.12Å; I635-F673 HydrophobicContact CG2-CB 4.2Å; I635-F673 HydrophobicContact CG2-CD2 3.93Å; I635-F673 HydrophobicContact CG2-CG 4.04Å; L638-F673 HydrophobicContact CB-CD1 4.11Å; L638-F673 HydrophobicContact CB-CE1 3.64Å; L638-F673 HydrophobicContact CB-CZ 4.26Å; L638-F673 HydrophobicContact CD1-CD1 4.09Å; L638-F673 HydrophobicContact CD1-CE1 4.39Å; R639-F673 HydrophobicContact CG-CD2 4.37Å; R639-F673 HydrophobicContact CG-CE2 3.57Å; R639-F673 HydrophobicContact CG-CZ 3.98Å; Q642-F673 VanDerWaalsContact OE1-CZ 3.29Å; F648-F673 HydrophobicContact CE2-CE1 4.19Å; F648-F673 AromaticContact CZ-CE1 3.9Å; F648-F673 HydrophobicContact CZ-CE1 3.9Å; F648-F673 HydrophobicContact CZ-CZ 4.48Å; D669-F673 WeakPolarHBondContact O-CB 2.92Å; D669-F673 PolarHBondContact O-N 3.29Å; S670-F673 PolarHBondContact O-N 2.9Å; I671-F673 VanDerWaalsContact C-N 3.33Å; I671-F673 PolarHBondContact O-N 2.99Å; F673-G700 CarbonylContact O-C 3.49Å; F673-G700 WeakPolarHBondContact O-CA 3.33Å; F673-A701 HydrophobicContact CE1-CB 4.09Å; F673-A701 HydrophobicContact CZ-CB 4.29Å; F673-A701 PolarHBondContact O-N 3.3Å
674	L	93.8	Very high	80.4	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-65.9	-43.9	-175.9	-73.6	168.5	0	0	0	112.8	F648 A658 L659 A662 S670 I671 A701 G702 V703	F648-L674 HydrophobicContact CB-CD2 3.86Å; F648-L674 HydrophobicContact CD1-CD2 3.47Å; F648-L674 VanDerWaalsContact CD1-CD2 3.47Å; F648-L674 HydrophobicContact CD2-CD2 4.17Å; F648-L674 HydrophobicContact CE1-CD2 4Å; F648-L674 HydrophobicContact CG-CD2 3.56Å; A658-L674 HydrophobicContact CB-CD1 4.13Å; A658-L674 HydrophobicContact CB-CD2 4.19Å; L659-L674 HydrophobicContact CB-CD1 4.39Å; L659-L674 HydrophobicContact CD1-CB 4.21Å; L659-L674 HydrophobicContact CD1-CD1 4.24Å; A662-L674 HydrophobicContact CB-CD1 4.09Å; S670-L674 WeakPolarHBondContact O-CB 3.29Å; S670-L674 WeakPolarHBondContact O-CG 3.47Å; S670-L674 PolarHBondContact O-N 2.9Å; I671-L674 PolarHBondContact O-N 3.05Å; L674-A701 HydrophobicContact CD2-CB 4.17Å; L674-A701 CarbonylContact O-C 3.54Å; L674-G702 PolarHBondContact O-N 3.34Å; L674-G702 VanDerWaalsContact O-N 3.13Å; L674-V703 HydrophobicContact CB-CB 4.48Å; L674-V703 HydrophobicContact CB-CG2 4.32Å; L674-V703 HydrophobicContact CD2-CG2 4.07Å; L674-V703 WeakPolarHBondContact O-CB 3.33Å; L674-V703 PolarHBondContact O-N 3.23Å
675	I	91.5	Very high	77.9	Confident	9 Å²	9	81.8 Å²	81.8	5%	0.046	40%	0.401	C	S	.	.	H	α-helix	trans	-83.7	-20.3	-175.9	70.2	-171.1	0	0	0	113.7	L659 I671 P705 L730 L731 Y734	L659-I675 HydrophobicContact CD1-CG2 3.93Å; L659-I675 HydrophobicContact CD2-CG2 4.33Å; I671-I675 HydrophobicContact CG2-CD1 4.24Å; I671-I675 VanDerWaalsContact O-CG1 3.32Å; I671-I675 WeakPolarHBondContact O-CG1 3.27Å; I671-I675 PolarHBondContact O-N 3.11Å; I671-I675 VanDerWaalsContact O-N 3.09Å; I675-P705 HydrophobicContact CG2-CG 4.14Å; I675-L730 HydrophobicContact CD1-CD1 4.36Å; I675-L730 HydrophobicContact CD1-CD2 4.42Å; I675-L730 HydrophobicContact CD1-CG 3.99Å; I675-L731 HydrophobicContact CG2-CD2 4.06Å; I675-Y734 HydrophobicContact CB-CD1 4.41Å; I675-Y734 HydrophobicContact CB-CG 4.43Å; I675-Y734 HydrophobicContact CD1-CD1 4.33Å; I675-Y734 HydrophobicContact CD1-CD2 3.45Å; I675-Y734 VanDerWaalsContact CD1-CD2 3.45Å; I675-Y734 HydrophobicContact CD1-CE2 3.74Å; I675-Y734 HydrophobicContact CD1-CG 3.78Å; I675-Y734 HydrophobicContact CG1-CD1 4.08Å; I675-Y734 HydrophobicContact CG1-CD2 4.09Å; I675-Y734 HydrophobicContact CG1-CE1 4.19Å; I675-Y734 HydrophobicContact CG1-CE2 4.19Å; I675-Y734 HydrophobicContact CG1-CG 4.03Å
676	S	89.8	Confident	75.1	Confident	20 Å²	20	84.8 Å²	84.8	14%	0.14	42%	0.421	C	S	.	.	S	Bend	trans	-66.7	142.8	180	-67.1	0	0	0	0	110.9	K672 G700 A701 G702	K672-S676 VanDerWaalsContact O-CB 3.26Å; K672-S676 WeakPolarHBondContact O-CB 3.45Å; K672-S676 PolarHBondContact O-N 2.65Å; K672-S676 VanDerWaalsContact O-N 3.14Å; K672-S676 PolarHBondContact O-OG 3.07Å; S676-G700 CarbonylContact O-C 3.52Å; S676-G700 VanDerWaalsContact O-CA 3.25Å; S676-G700 WeakPolarHBondContact O-CA 3.36Å; S676-A701 PolarHBondContact O-N 3.4Å; S676-G702 WeakPolarHBondContact O-CA 3.24Å; S676-G702 PolarHBondContact O-N 3.2Å
677	P	85.4	Confident	72.3	Confident	91 Å²	91	87.5 Å²	87.5	59%	0.591	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-62.6	150.7	-174.3	25.1	-33.9	0	0	0	112.3	G700	P677-G700 PolarHBondContact O-N 2.73Å
678	I	81.7	Confident	69.3	Low	92 Å²	92	93.9 Å²	93.9	47%	0.472	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-68.9	142.4	172.9	-55.8	172.8	0	0	0	108.5	N680 A701	I678-N680 PolarHBondContact O-N 3.16Å; I678-A701 WeakPolarHBondContact CG1-O 3.34Å
679	Y	70.6	Confident	66.4	Low	127 Å²	127	103.3 Å²	103.3	50%	0.498	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-67	118.6	173.2	-172.8	-105.7	0	0	0	110.6	E681 Y699	Y679-E681 HydrophobicContact CD1-CG 4.05Å; Y679-E681 HydrophobicContact CE1-CB 4.46Å; Y679-E681 HydrophobicContact CE1-CG 3.57Å; Y679-Y699 HydrophobicContact CD2-CD1 4.33Å; Y679-Y699 HydrophobicContact CG-CD1 4.07Å
680	N	56.5	Low	63.4	Low	112 Å²	112	103.6 Å²	103.6	60%	0.599	51%	0.506	S	S	*	.			trans	-100.6	113.7	169.2	-73.7	-13.1	0	0	0	108.8	I678 E682	I678-N680 PolarHBondContact O-N 3.16Å; N680-E682 PolarHBondContact O-N 3.06Å; N680-E682 VanDerWaalsContact O-N 3.11Å
681	E	53.6	Low	60.3	Low	152 Å²	152	112 Å²	112	71%	0.71	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-59.2	-18.7	176.4	-83.9	-176.1	165.5	0	0	113.6	Y679 N683 S684	Y679-E681 HydrophobicContact CD1-CG 4.05Å; Y679-E681 HydrophobicContact CE1-CB 4.46Å; Y679-E681 HydrophobicContact CE1-CG 3.57Å; E681-N683 PolarHBondContact O-N 3.18Å; E681-S684 PolarHBondContact O-N 2.65Å; E681-S684 PolarHBondContact O-OG 2.83Å
682	E	44.2	Very low	57.3	Low	173 Å²	173	117.4 Å²	117.4	81%	0.808	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-65.1	-13.1	-174.4	-66.8	-173	161.3	0	0	115.1	N680	N680-E682 PolarHBondContact O-N 3.06Å; N680-E682 VanDerWaalsContact O-N 3.11Å
683	N	39.4	Very low	54.2	Low	153 Å²	153	121 Å²	121	82%	0.818	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-99.6	3.6	-178.9	-81.2	-26.7	0	0	0	115.4	E681	E681-N683 PolarHBondContact O-N 3.18Å
684	S	40.9	Very low	51.2	Low	60 Å²	60	127.3 Å²	127.3	42%	0.42	64%	0.642	S	S	.	*			trans	-102.8	9	-168.9	75.8	0	0	0	0	116.9	E681 N686	E681-S684 PolarHBondContact O-N 2.65Å; E681-S684 PolarHBondContact O-OG 2.83Å; S684-N686 PolarHBondContact O-N 3.06Å
685	H	40.3	Very low	48.3	Very low	184 Å²	184	133 Å²	133	85%	0.852	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	2.9	180	-89.5	-59.8	0	0	0	115.8
686	N	35.3	Very low	45.7	Very low	161 Å²	161	140.8 Å²	140.8	86%	0.861	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.5	17.5	-175.5	-80.6	-19.5	0	0	0	116.1	S684	S684-N686 PolarHBondContact O-N 3.06Å
687	K	35.8	Very low	43.6	Very low	194 Å²	194	144.3 Å²	144.3	84%	0.843	73%	0.73	S	S	*	*	S	Bend	trans	-128.3	115.7	171.4	-76.7	-174.9	177.7	178.7	0	111.6	R689	K687-R689 PolarHBondContact O-N 3.02Å
688	E	33	Very low	42.2	Very low	188 Å²	188	148.8 Å²	148.8	88%	0.879	74%	0.743	S	S	*	*			trans	-50.3	130.2	175	-67.9	176.5	152.4	0	0	111	S690	E688-S690 PolarHBondContact O-N 3.23Å
689	R	31.4	Very low	41.9	Very low	258 Å²	258	147.7 Å²	147.7	97%	0.974	73%	0.733	S	S	*	*			trans	-64.1	91.8	171.7	-81.4	177.1	170.5	172	-3.4	109.2	K687	K687-R689 PolarHBondContact O-N 3.02Å
690	S	32.4	Very low	42.6	Very low	95 Å²	95	141.6 Å²	141.6	66%	0.664	71%	0.709	S	S	*	*			trans	-99.1	142.2	164.3	59.6	0	0	0	0	110.1	E688 V692	E688-S690 PolarHBondContact O-N 3.23Å; S690-V692 PolarHBondContact O-N 3.21Å
691	N	30	Very low	44.2	Very low	176 Å²	176	136.7 Å²	136.7	94%	0.941	69%	0.685	S	S	*	*			trans	-62.7	83.2	-172.7	-66.1	-34	0	0	0	113.4
692	V	30.6	Very low	45.9	Very low	114 Å²	114	130.8 Å²	130.8	69%	0.691	66%	0.664	S	S	*	*			trans	-109	122.7	171.6	-174.4	0	0	0	0	108.8	S690 T694	S690-V692 PolarHBondContact O-N 3.21Å; V692-T694 PolarHBondContact O-N 3.08Å; V692-T694 VanDerWaalsContact O-N 3.15Å
693	E	28.5	Very low	48.1	Very low	175 Å²	175	122.7 Å²	122.7	82%	0.818	63%	0.627	S	S	*	*			trans	-48.5	116.1	170.8	-70.8	174.7	150.9	0	0	109.8	T695	E693-T695 PolarHBondContact O-N 3.38Å
694	T	30.4	Very low	50.4	Low	139 Å²	139	119 Å²	119	85%	0.853	61%	0.607	S	S	*	*	S	Bend	trans	-75.8	81.3	-173	30.8	0	0	0	0	111.5	V692	V692-T694 PolarHBondContact O-N 3.08Å; V692-T694 VanDerWaalsContact O-N 3.15Å
695	T	33.6	Very low	52.6	Low	121 Å²	121	116.7 Å²	116.7	74%	0.742	59%	0.59	S	S	*	*			trans	-122.6	-5.9	176.7	44.2	0	0	0	0	115.7	E693	E693-T695 PolarHBondContact O-N 3.38Å
696	E	37.1	Very low	54.8	Low	171 Å²	171	113.2 Å²	113.2	80%	0.799	57%	0.573	S	S	*	*			trans	-126.8	87.1	178.4	-72	-175.6	164	0	0	112.1	E698	E696-E698 PolarHBondContact O-N 2.92Å
697	L	45.1	Very low	57.2	Low	94 Å²	94	106.3 Å²	106.3	49%	0.492	54%	0.537	S	S	.	.			trans	-83.3	89.8	168.4	-70.5	162.7	0	0	0	108.8	R639 Y699	R639-L697 PolarHBondContact NH1-O 3.34Å; R639-L697 VanDerWaalsContact NH1-O 3.17Å; R639-L697 PolarHBondContact NH2-O 2.98Å; L697-Y699 HydrophobicContact CB-CD1 3.85Å; L697-Y699 HydrophobicContact CB-CE1 3.5Å; L697-Y699 HydrophobicContact CD1-CE1 4.03Å; L697-Y699 HydrophobicContact CD2-CD1 4.03Å; L697-Y699 HydrophobicContact CD2-CE1 3.3Å; L697-Y699 HydrophobicContact CG-CD1 4.46Å; L697-Y699 HydrophobicContact CG-CE1 3.74Å; L697-Y699 PolarHBondContact O-N 2.95Å
698	E	56.5	Low	59.9	Low	185 Å²	185	102.8 Å²	102.8	86%	0.864	52%	0.524	S	S	*	.			trans	-66.3	9.2	179.2	-84.6	-168.5	152.8	0	0	115.4	E696	E696-E698 PolarHBondContact O-N 2.92Å
699	Y	74.9	Confident	62.6	Low	69 Å²	69	94.1 Å²	94.1	27%	0.271	48%	0.484	S	S	.	.			trans	-90.8	156.5	176.6	64.4	-103.8	0	0	0	113	R639 Y679 L697	R639-Y699 PolarHBondContact NH1-O 3.38Å; R639-Y699 PolarHBondContact NH2-O 3.36Å; Y679-Y699 HydrophobicContact CD2-CD1 4.33Å; Y679-Y699 HydrophobicContact CG-CD1 4.07Å; L697-Y699 HydrophobicContact CB-CD1 3.85Å; L697-Y699 HydrophobicContact CB-CE1 3.5Å; L697-Y699 HydrophobicContact CD1-CE1 4.03Å; L697-Y699 HydrophobicContact CD2-CD1 4.03Å; L697-Y699 HydrophobicContact CD2-CE1 3.3Å; L697-Y699 HydrophobicContact CG-CD1 4.46Å; L697-Y699 HydrophobicContact CG-CE1 3.74Å; L697-Y699 PolarHBondContact O-N 2.95Å
700	G	85.8	Confident	65.1	Low	0 Å²	0	87.9 Å²	87.9	0%	0	47%	0.468	C	S	.	.			trans	-119.3	-160.9	178.9	0	0	0	0	0	114.6	Q642 F673 S676 P677	Q642-G700 PolarHBondContact NE2-O 2.98Å; Q642-G700 VanDerWaalsContact NE2-O 3.08Å; F673-G700 CarbonylContact O-C 3.49Å; F673-G700 WeakPolarHBondContact O-CA 3.33Å; S676-G700 CarbonylContact O-C 3.52Å; S676-G700 VanDerWaalsContact O-CA 3.25Å; S676-G700 WeakPolarHBondContact O-CA 3.36Å; P677-G700 PolarHBondContact O-N 2.73Å
701	A	89.3	Confident	67.7	Low	9 Å²	9	90.2 Å²	90.2	7%	0.074	46%	0.462	C	S	.	.			trans	-93.9	-9.4	-176.4	0	0	0	0	0	115.2	F648 F673 L674 S676 I678 V703	F648-A701 HydrophobicContact CD2-CB 3.5Å; F648-A701 VanDerWaalsContact CD2-CB 3.5Å; F648-A701 HydrophobicContact CE2-CB 3.69Å; F648-A701 HydrophobicContact CG-CB 4.31Å; F673-A701 HydrophobicContact CE1-CB 4.09Å; F673-A701 HydrophobicContact CZ-CB 4.29Å; F673-A701 PolarHBondContact O-N 3.3Å; L674-A701 HydrophobicContact CD2-CB 4.17Å; L674-A701 CarbonylContact O-C 3.54Å; S676-A701 PolarHBondContact O-N 3.4Å; I678-A701 WeakPolarHBondContact CG1-O 3.34Å; A701-V703 VanDerWaalsContact C-N 3.32Å; A701-V703 HydrophobicContact CB-CG2 4.19Å; A701-V703 PolarHBondContact O-N 3.49Å
702	G	89.8	Confident	70.5	Confident	28 Å²	28	83.3 Å²	83.3	29%	0.289	43%	0.433	S	S	.	.			trans	61.3	34.1	178.1	0	0	0	0	0	114.7	Y649 L674 S676	Y649-G702 PolarHBondContact OH-O 2.86Å; L674-G702 PolarHBondContact O-N 3.34Å; L674-G702 VanDerWaalsContact O-N 3.13Å; S676-G702 WeakPolarHBondContact O-CA 3.24Å; S676-G702 PolarHBondContact O-N 3.2Å
703	V	90.5	Very high	73.4	Confident	3 Å²	3	80.2 Å²	80.2	2%	0.018	42%	0.415	C	S	.	.			trans	-75	124.2	175.9	-177.8	0	0	0	0	109.5	F648 Y649 L659 L674 A701 P705	F648-V703 HydrophobicContact CB-CG2 3.53Å; F648-V703 HydrophobicContact CG-CG2 4.41Å; Y649-V703 HydrophobicContact CE1-CG1 4.12Å; L659-V703 HydrophobicContact CB-CG1 4.34Å; L659-V703 HydrophobicContact CD2-CG1 4.34Å; L674-V703 HydrophobicContact CB-CB 4.48Å; L674-V703 HydrophobicContact CB-CG2 4.32Å; L674-V703 HydrophobicContact CD2-CG2 4.07Å; L674-V703 WeakPolarHBondContact O-CB 3.33Å; L674-V703 PolarHBondContact O-N 3.23Å; A701-V703 VanDerWaalsContact C-N 3.32Å; A701-V703 HydrophobicContact CB-CG2 4.19Å; A701-V703 PolarHBondContact O-N 3.49Å; V703-P705 VanDerWaalsContact O-CD 3.31Å; V703-P705 WeakPolarHBondContact O-CD 3.25Å
704	D	88.3	Confident	76.4	Confident	76 Å²	76	72.6 Å²	72.6	41%	0.406	38%	0.38	S	S	.	.			trans	-61.6	120.6	174.7	-175.6	-9.1	0	0	0	110.1	Y649 K706 C707	Y649-D704 PolarHBondContact OH-N 3.14Å; D704-K706 PolarHBondContact O-N 2.91Å; D704-K706 VanDerWaalsContact OD1-CB 3.32Å; D704-K706 WeakPolarHBondContact OD1-CB 3.47Å; D704-K706 PolarHBondContact OD1-N 3.24Å; D704-C707 VanDerWaalsContact O-CB 3.31Å; D704-C707 WeakPolarHBondContact O-CB 3.27Å; D704-C707 PolarHBondContact O-N 3.34Å
705	P	85.4	Confident	79.2	Confident	10 Å²	10	66 Å²	66	7%	0.065	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.6	175.1	-25.9	35.6	0	0	0	114.3	I675 V703 C707 L731	I675-P705 HydrophobicContact CG2-CG 4.14Å; V703-P705 VanDerWaalsContact O-CD 3.31Å; V703-P705 WeakPolarHBondContact O-CD 3.25Å; P705-C707 VanDerWaalsContact C-N 3.25Å; P705-C707 PolarHBondContact O-N 3.06Å; P705-L731 HydrophobicContact CB-CD2 4.41Å
706	K	86.7	Confident	82	Confident	111 Å²	111	60.6 Å²	60.6	48%	0.483	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	2	177.1	-62.5	167.2	-174.8	145.9	0	113.1	D704 Q708 Q735	D704-K706 PolarHBondContact O-N 2.91Å; D704-K706 VanDerWaalsContact OD1-CB 3.32Å; D704-K706 WeakPolarHBondContact OD1-CB 3.47Å; D704-K706 PolarHBondContact OD1-N 3.24Å; K706-Q708 PolarHBondContact O-N 3.26Å; K706-Q735 PolarHBondContact NZ-O 3.43Å
707	C	87	Confident	84.5	Confident	16 Å²	16	56.2 Å²	56.2	11%	0.108	29%	0.288	C	S	.	.			trans	-55.1	137.2	173.5	76.8	0	0	0	0	110.2	Y649 S657 H660 D704 P705	Y649-C707 HydrophobicContact CD1-CB 4.4Å; Y649-C707 HydrophobicContact CE1-CB 4.33Å; S657-C707 PolarHBondContact OG-SG 3.31Å; H660-C707 PolarHBondContact CE1-O 3.12Å; D704-C707 VanDerWaalsContact O-CB 3.31Å; D704-C707 WeakPolarHBondContact O-CB 3.27Å; D704-C707 PolarHBondContact O-N 3.34Å; P705-C707 VanDerWaalsContact C-N 3.25Å; P705-C707 PolarHBondContact O-N 3.06Å
708	Q	90.9	Very high	86.7	Confident	121 Å²	121	52.6 Å²	52.6	57%	0.565	27%	0.269	S	S	*	.	B	Isolated β-bridge	trans	-112.8	146.6	-176.9	-68.4	-179.1	-23.1	0	0	110.2	K706 G712 T713	K706-Q708 PolarHBondContact O-N 3.26Å; Q708-G712 PolarHBondContact NE2-O 3.36Å; Q708-T713 WeakPolarHBondContact CA-O 3.45Å
709	T	89.6	Confident	88.4	Confident	6 Å²	6	43.8 Å²	43.8	4%	0.037	23%	0.228	C	C	.	.			trans	-61.3	169.7	163.2	58.8	0	0	0	0	111.4	G655 R656 H660 W711 G712 T713	G655-T709 WeakPolarHBondContact O-CA 3.33Å; G655-T709 VanDerWaalsContact O-CB 3.26Å; G655-T709 WeakPolarHBondContact O-CB 3.38Å; R656-T709 HydrophobicContact CG-CG2 4.39Å; H660-T709 VanDerWaalsContact CD2-CG2 3.47Å; H660-T709 WeakPolarHBondContact CD2-CG2 3.48Å; H660-T709 WeakPolarHBondContact NE2-CG2 3.36Å; T709-W711 HydrophobicContact CG2-CZ2 3.86Å; T709-W711 PolarHBondContact O-N 3.48Å; T709-W711 VanDerWaalsContact O-N 3.1Å; T709-W711 VanDerWaalsContact OG1-CD1 3.23Å; T709-W711 PolarHBondContact OG1-NE1 3.43Å; T709-G712 PolarHBondContact O-N 2.86Å; T709-G712 PolarHBondContact OG1-N 3.14Å; T709-T713 PolarHBondContact N-O 2.93Å; T709-T713 PolarHBondContact OG1-N 2.95Å; T709-T713 VanDerWaalsContact OG1-N 3.15Å; T709-T713 PolarHBondContact OG1-O 3.1Å; T709-T713 PolarHBondContact OG1-OG1 3.28Å
710	I	85.2	Confident	89.2	Confident	127 Å²	127	45.1 Å²	45.1	65%	0.651	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.7	176	-158.3	169.6	0	0	0	113.8	M651 G655	M651-I710 HydrophobicContact SD-CB 4.37Å; G655-I710 PolarHBondContact O-N 2.98Å; G655-I710 VanDerWaalsContact O-N 3.07Å
711	W	86.9	Confident	89.5	Confident	143 Å²	143	51.7 Å²	51.7	54%	0.542	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	12.1	175.2	58.3	75	0	0	0	113.8	E654 R656 T709 T713	E654-W711 WeakPolarHBondContact O-CH2 3.29Å; E654-W711 WeakPolarHBondContact O-CZ3 3.33Å; R656-W711 HydrophobicContact CG-CH2 4.18Å; R656-W711 HydrophobicContact CG-CZ2 4.42Å; T709-W711 HydrophobicContact CG2-CZ2 3.86Å; T709-W711 PolarHBondContact O-N 3.48Å; T709-W711 VanDerWaalsContact O-N 3.1Å; T709-W711 VanDerWaalsContact OG1-CD1 3.23Å; T709-W711 PolarHBondContact OG1-NE1 3.43Å; W711-T713 PolarHBondContact NE1-OG1 3.26Å
712	G	89.1	Confident	89.7	Confident	32 Å²	32	55.4 Å²	55.4	33%	0.33	28%	0.282	S	S	.	.	S	Bend	trans	88	5.9	166.1	0	0	0	0	0	116.8	Q708 T709	Q708-G712 PolarHBondContact NE2-O 3.36Å; T709-G712 PolarHBondContact O-N 2.86Å; T709-G712 PolarHBondContact OG1-N 3.14Å
713	T	90.6	Very high	89.8	Confident	49 Å²	49	60.2 Å²	60.2	30%	0.301	30%	0.301	S	S	.	.			trans	-81	136	171.4	52.1	0	0	0	0	110.9	H660 Q708 T709 W711	H660-T713 PolarHBondContact NE2-O 3.41Å; Q708-T713 WeakPolarHBondContact CA-O 3.45Å; T709-T713 PolarHBondContact N-O 2.93Å; T709-T713 PolarHBondContact OG1-N 2.95Å; T709-T713 VanDerWaalsContact OG1-N 3.15Å; T709-T713 PolarHBondContact OG1-O 3.1Å; T709-T713 PolarHBondContact OG1-OG1 3.28Å; W711-T713 PolarHBondContact NE1-OG1 3.26Å
714	S	92.1	Very high	89.9	Confident	14 Å²	14	62.4 Å²	62.4	10%	0.098	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-83.7	163.6	171.9	71.8	0	0	0	0	112.3	L716 D717 E718	S714-L716 PolarHBondContact O-N 2.83Å; S714-L716 PolarHBondContact OG-N 2.79Å; S714-D717 WeakPolarHBondContact CB-OD2 3.38Å; S714-D717 PolarHBondContact N-OD2 3.37Å; S714-D717 PolarHBondContact O-N 2.56Å; S714-D717 VanDerWaalsContact O-N 3.16Å; S714-D717 PolarHBondContact OG-N 3.07Å; S714-D717 PolarHBondContact OG-OD2 2.77Å; S714-E718 PolarHBondContact O-N 3.34Å; S714-E718 VanDerWaalsContact O-N 3.08Å
715	A	89.8	Confident	90.1	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-31	173.1	0	0	0	0	0	112.6	L659 H660 V663 A719 L731	L659-A715 HydrophobicContact CB-CB 4.46Å; L659-A715 HydrophobicContact CD2-CB 3.63Å; L659-A715 HydrophobicContact CG-CB 3.65Å; H660-A715 PolarHBondContact NE2-N 2.86Å; V663-A715 HydrophobicContact CG2-CB 4.22Å; A715-A719 PolarHBondContact O-N 3.16Å; A715-L731 HydrophobicContact CB-CD1 4.32Å
716	L	90.7	Very high	90.3	Very high	8 Å²	8	65.9 Å²	65.9	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-68.9	-41.4	174.7	-179.1	63	0	0	0	111.8	S714 E718 A719 K720 V728 L731 E732	S714-L716 PolarHBondContact O-N 2.83Å; S714-L716 PolarHBondContact OG-N 2.79Å; L716-E718 VanDerWaalsContact C-N 3.29Å; L716-E718 PolarHBondContact O-N 3.47Å; L716-A719 PolarHBondContact O-N 3.29Å; L716-K720 HydrophobicContact CD1-CD 4.48Å; L716-K720 HydrophobicContact CD1-CG 4.49Å; L716-K720 HydrophobicContact CG-CD 4.26Å; L716-K720 WeakPolarHBondContact O-CG 3.39Å; L716-K720 PolarHBondContact O-N 2.77Å; L716-V728 HydrophobicContact CD1-CB 4.49Å; L716-V728 HydrophobicContact CD1-CG1 4.15Å; L716-V728 HydrophobicContact CD1-CG2 4.47Å; L716-L731 HydrophobicContact CB-CD1 4.44Å; L716-L731 HydrophobicContact CD1-CB 4.04Å; L716-L731 HydrophobicContact CD1-CD1 4.48Å; L716-E732 HydrophobicContact CD1-CG 3.93Å; L716-E732 HydrophobicContact CD2-CG 4.07Å
717	D	91.6	Very high	90.6	Very high	79 Å²	79	60.6 Å²	60.6	42%	0.422	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-40.8	177	-58.4	-44.6	0	0	0	110.8	S714 K720 L721	S714-D717 WeakPolarHBondContact CB-OD2 3.38Å; S714-D717 PolarHBondContact N-OD2 3.37Å; S714-D717 PolarHBondContact O-N 2.56Å; S714-D717 VanDerWaalsContact O-N 3.16Å; S714-D717 PolarHBondContact OG-N 3.07Å; S714-D717 PolarHBondContact OG-OD2 2.77Å; D717-K720 PolarHBondContact O-N 2.92Å; D717-L721 VanDerWaalsContact O-CB 3.3Å; D717-L721 WeakPolarHBondContact O-CB 3.48Å; D717-L721 PolarHBondContact O-N 3.02Å
718	E	90.5	Very high	90.8	Very high	19 Å²	19	60.6 Å²	60.6	9%	0.089	31%	0.305	C	S	.	.	H	α-helix	trans	-61.6	-41	175.3	170.1	131.7	-110.6	0	0	112.5	H660 V663 T664 S714 L716 R722	H660-E718 WeakPolarHBondContact CB-OE2 3.41Å; H660-E718 IonicContact CD2-OE2 3.79Å; H660-E718 PolarHBondContact CD2-OE2 3.19Å; H660-E718 IonicContact CG-OE2 3.8Å; V663-E718 HydrophobicContact CB-CG 4.29Å; V663-E718 HydrophobicContact CG1-CB 4.34Å; V663-E718 HydrophobicContact CG1-CG 3.72Å; T664-E718 PolarHBondContact OG1-OE1 3.14Å; S714-E718 PolarHBondContact O-N 3.34Å; S714-E718 VanDerWaalsContact O-N 3.08Å; L716-E718 VanDerWaalsContact C-N 3.29Å; L716-E718 PolarHBondContact O-N 3.47Å; E718-R722 VanDerWaalsContact CG-NH1 3.28Å; E718-R722 WeakPolarHBondContact O-CG 3.3Å; E718-R722 PolarHBondContact O-N 3.41Å; E718-R722 PolarHBondContact O-NH1 3.44Å; E718-R722 IonicContact OE1-CZ 3.03Å; E718-R722 IonicContact OE1-NH1 2.74Å; E718-R722 PolarHBondContact OE1-NH1 3.26Å; E718-R722 IonicContact OE1-NH2 2.7Å; E718-R722 PolarHBondContact OE1-NH2 3.31Å
719	A	92.2	Very high	90.7	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-67.9	-43.1	175.6	0	0	0	0	0	112.4	V663 A715 L716 R722 N723 F724 I727 V728 L731	V663-A719 HydrophobicContact CG1-CB 3.72Å; A715-A719 PolarHBondContact O-N 3.16Å; L716-A719 PolarHBondContact O-N 3.29Å; A719-R722 PolarHBondContact O-N 3.1Å; A719-N723 PolarHBondContact O-N 3.49Å; A719-F724 PolarHBondContact O-N 2.66Å; A719-F724 VanDerWaalsContact O-N 3.13Å; A719-I727 HydrophobicContact CB-CB 4.3Å; A719-I727 HydrophobicContact CB-CG2 3.65Å; A719-V728 HydrophobicContact CB-CG2 3.83Å; A719-L731 HydrophobicContact CB-CD1 4.35Å
720	K	92.3	Very high	90.7	Very high	96 Å²	96	62.8 Å²	62.8	42%	0.417	32%	0.315	S	S	.	.	H	α-helix	trans	-62.9	-44.2	176.7	-74.4	179.1	177.2	177.3	0	111.2	L716 D717 R722 N723 V728 E732	L716-K720 HydrophobicContact CD1-CD 4.48Å; L716-K720 HydrophobicContact CD1-CG 4.49Å; L716-K720 HydrophobicContact CG-CD 4.26Å; L716-K720 WeakPolarHBondContact O-CG 3.39Å; L716-K720 PolarHBondContact O-N 2.77Å; D717-K720 PolarHBondContact O-N 2.92Å; K720-R722 PolarHBondContact O-N 2.95Å; K720-N723 PolarHBondContact O-N 2.99Å; K720-N723 VanDerWaalsContact O-N 3.16Å; K720-V728 HydrophobicContact CG-CG1 4.3Å; K720-V728 HydrophobicContact CG-CG2 3.76Å; K720-E732 WeakPolarHBondContact CE-OE1 3.18Å; K720-E732 IonicContact NZ-OE1 2.81Å; K720-E732 PolarHBondContact NZ-OE1 3.23Å
721	L	91.5	Very high	90.8	Very high	139 Å²	139	56.7 Å²	56.7	73%	0.728	28%	0.284	S	S	*	.	H	α-helix	trans	-60.4	-33	178.3	-174.6	66.9	0	0	0	112.7	D717	D717-L721 VanDerWaalsContact O-CB 3.3Å; D717-L721 WeakPolarHBondContact O-CB 3.48Å; D717-L721 PolarHBondContact O-N 3.02Å
722	R	92.4	Very high	90.8	Very high	86 Å²	86	54.1 Å²	54.1	33%	0.325	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-0.7	-180	-70.3	174.4	173.4	75	-16.9	114.3	T664 E718 A719 K720 F724	T664-R722 PolarHBondContact OG1-NH2 3.21Å; E718-R722 VanDerWaalsContact CG-NH1 3.28Å; E718-R722 WeakPolarHBondContact O-CG 3.3Å; E718-R722 PolarHBondContact O-N 3.41Å; E718-R722 PolarHBondContact O-NH1 3.44Å; E718-R722 IonicContact OE1-CZ 3.03Å; E718-R722 IonicContact OE1-NH1 2.74Å; E718-R722 PolarHBondContact OE1-NH1 3.26Å; E718-R722 IonicContact OE1-NH2 2.7Å; E718-R722 PolarHBondContact OE1-NH2 3.31Å; A719-R722 PolarHBondContact O-N 3.1Å; K720-R722 PolarHBondContact O-N 2.95Å; R722-F724 VanDerWaalsContact C-N 3.32Å; R722-F724 HydrophobicContact CB-CD1 4.2Å; R722-F724 HydrophobicContact CB-CD2 3.85Å; R722-F724 HydrophobicContact CB-CE1 4.1Å; R722-F724 HydrophobicContact CB-CE2 3.75Å; R722-F724 HydrophobicContact CB-CG 4.09Å; R722-F724 HydrophobicContact CB-CZ 3.88Å; R722-F724 HydrophobicContact CG-CE2 4.31Å; R722-F724 HydrophobicContact CG-CZ 4.5Å; R722-F724 WeakPolarHBondContact O-CD1 3.44Å; R722-F724 PolarHBondContact O-N 3.36Å
723	N	91.8	Very high	90.5	Very high	130 Å²	130	60.6 Å²	60.6	70%	0.695	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	35.3	-175.7	-58	-58.3	0	0	0	114.3	A719 K720 N725	A719-N723 PolarHBondContact O-N 3.49Å; K720-N723 PolarHBondContact O-N 2.99Å; K720-N723 VanDerWaalsContact O-N 3.16Å; N723-N725 PolarHBondContact O-N 3.13Å; N723-N725 VanDerWaalsContact O-N 3.15Å
724	F	93.9	Very high	89.6	Confident	48 Å²	48	62.8 Å²	62.8	21%	0.211	30%	0.301	C	S	.	.			trans	-86	77.5	176.2	-63	-21.9	0	0	0	111.1	V663 R666 A719 R722 D726 I727 V728	V663-F724 VanDerWaalsContact O-CE2 3.29Å; V663-F724 WeakPolarHBondContact O-CE2 3.35Å; R666-F724 HydrophobicContact CB-CD2 4.47Å; R666-F724 HydrophobicContact CB-CE2 4.14Å; R666-F724 HydrophobicContact CB-CZ 4.35Å; R666-F724 HydrophobicContact CG-CD2 4.35Å; R666-F724 HydrophobicContact CG-CE2 4.43Å; R666-F724 HydrophobicContact CG-CG 4.43Å; A719-F724 PolarHBondContact O-N 2.66Å; A719-F724 VanDerWaalsContact O-N 3.13Å; R722-F724 VanDerWaalsContact C-N 3.32Å; R722-F724 HydrophobicContact CB-CD1 4.2Å; R722-F724 HydrophobicContact CB-CD2 3.85Å; R722-F724 HydrophobicContact CB-CE1 4.1Å; R722-F724 HydrophobicContact CB-CE2 3.75Å; R722-F724 HydrophobicContact CB-CG 4.09Å; R722-F724 HydrophobicContact CB-CZ 3.88Å; R722-F724 HydrophobicContact CG-CE2 4.31Å; R722-F724 HydrophobicContact CG-CZ 4.5Å; R722-F724 WeakPolarHBondContact O-CD1 3.44Å; R722-F724 PolarHBondContact O-N 3.36Å; F724-D726 VanDerWaalsContact C-N 3.27Å; F724-D726 PolarHBondContact O-N 3.29Å; F724-I727 HydrophobicContact CB-CB 4.03Å; F724-I727 HydrophobicContact CB-CD1 4Å; F724-I727 HydrophobicContact CB-CG1 4.27Å; F724-I727 HydrophobicContact CD2-CD1 3.89Å; F724-I727 HydrophobicContact CG-CD1 4.28Å; F724-I727 PolarHBondContact O-N 3.1Å; F724-I727 VanDerWaalsContact O-N 3.08Å; F724-V728 WeakPolarHBondContact O-CG2 3.44Å; F724-V728 PolarHBondContact O-N 2.64Å
725	N	91.1	Very high	88.3	Confident	112 Å²	112	68.2 Å²	68.2	60%	0.599	33%	0.325	S	S	*	.	H	α-helix	trans	-57.4	-36.4	-173.7	-68.3	-33.3	0	0	0	114	N723 V728 Q729	N723-N725 PolarHBondContact O-N 3.13Å; N723-N725 VanDerWaalsContact O-N 3.15Å; N725-V728 PolarHBondContact O-N 2.86Å; N725-Q729 VanDerWaalsContact O-CG 3.3Å; N725-Q729 WeakPolarHBondContact O-CG 3.38Å; N725-Q729 PolarHBondContact O-N 2.9Å
726	D	91.4	Very high	88.2	Confident	47 Å²	47	71.7 Å²	71.7	25%	0.251	34%	0.341	S	S	.	.	H	α-helix	trans	-61.2	-43.6	175.2	49.9	-8.7	0	0	0	112.2	R666 F724 L730	R666-D726 IonicContact CZ-OD2 3.06Å; R666-D726 IonicContact NE-OD1 3.71Å; R666-D726 IonicContact NE-OD2 2.75Å; R666-D726 PolarHBondContact NE-OD2 3.2Å; R666-D726 VanDerWaalsContact NE-OD2 3.14Å; R666-D726 IonicContact NH2-OD1 3.73Å; R666-D726 IonicContact NH2-OD2 3.36Å; R666-D726 PolarHBondContact NH2-OD2 3.09Å; F724-D726 VanDerWaalsContact C-N 3.27Å; F724-D726 PolarHBondContact O-N 3.29Å; D726-L730 WeakPolarHBondContact O-CB 3.44Å; D726-L730 PolarHBondContact O-N 2.81Å; D726-L730 VanDerWaalsContact O-N 3.17Å
727	I	91.9	Very high	88.1	Confident	0 Å²	0	75 Å²	75	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-73.1	-40.2	178	-67.1	174.8	0	0	0	111.4	V663 R666 L668 I671 A719 F724 Q729 L730 L731	V663-I727 HydrophobicContact CG1-CG2 4.29Å; V663-I727 HydrophobicContact CG2-CG2 3.98Å; R666-I727 HydrophobicContact CB-CD1 4.26Å; R666-I727 HydrophobicContact CG-CD1 3.73Å; L668-I727 HydrophobicContact CD2-CD1 4.42Å; L668-I727 HydrophobicContact CD2-CG1 3.68Å; I671-I727 HydrophobicContact CD1-CB 4.45Å; I671-I727 HydrophobicContact CD1-CD1 3.55Å; I671-I727 HydrophobicContact CD1-CG1 3.73Å; I671-I727 HydrophobicContact CD1-CG2 3.91Å; A719-I727 HydrophobicContact CB-CB 4.3Å; A719-I727 HydrophobicContact CB-CG2 3.65Å; F724-I727 HydrophobicContact CB-CB 4.03Å; F724-I727 HydrophobicContact CB-CD1 4Å; F724-I727 HydrophobicContact CB-CG1 4.27Å; F724-I727 HydrophobicContact CD2-CD1 3.89Å; F724-I727 HydrophobicContact CG-CD1 4.28Å; F724-I727 PolarHBondContact O-N 3.1Å; F724-I727 VanDerWaalsContact O-N 3.08Å; I727-Q729 VanDerWaalsContact C-N 3.34Å; I727-Q729 PolarHBondContact O-N 3.31Å; I727-L730 WeakPolarHBondContact O-CB 3.13Å; I727-L730 PolarHBondContact O-N 3.26Å; I727-L730 VanDerWaalsContact O-N 3.16Å; I727-L731 HydrophobicContact CG2-CD1 3.78Å; I727-L731 HydrophobicContact CG2-CG 4.11Å; I727-L731 WeakPolarHBondContact O-CG 3.49Å; I727-L731 PolarHBondContact O-N 3.33Å
728	V	91.1	Very high	87.9	Confident	16 Å²	16	74.8 Å²	74.8	10%	0.097	35%	0.353	C	S	.	.	H	α-helix	trans	-57.9	-49.2	176.5	171.3	0	0	0	0	110.1	L716 A719 K720 F724 N725 L730 L731 E732	L716-V728 HydrophobicContact CD1-CB 4.49Å; L716-V728 HydrophobicContact CD1-CG1 4.15Å; L716-V728 HydrophobicContact CD1-CG2 4.47Å; A719-V728 HydrophobicContact CB-CG2 3.83Å; K720-V728 HydrophobicContact CG-CG1 4.3Å; K720-V728 HydrophobicContact CG-CG2 3.76Å; F724-V728 WeakPolarHBondContact O-CG2 3.44Å; F724-V728 PolarHBondContact O-N 2.64Å; N725-V728 PolarHBondContact O-N 2.86Å; V728-L730 VanDerWaalsContact C-N 3.28Å; V728-L730 PolarHBondContact O-N 3.23Å; V728-L731 PolarHBondContact O-N 3.45Å; V728-E732 HydrophobicContact CG1-CG 4.34Å; V728-E732 WeakPolarHBondContact O-CB 3.37Å; V728-E732 WeakPolarHBondContact O-CG 3.37Å; V728-E732 PolarHBondContact O-N 2.83Å
729	Q	89.4	Confident	87.8	Confident	141 Å²	141	78.1 Å²	78.1	66%	0.659	37%	0.369	S	S	*	.	H	α-helix	trans	-59.6	-38.9	176.2	-72.9	175.7	7.9	0	0	112.4	N725 I727 K733	N725-Q729 VanDerWaalsContact O-CG 3.3Å; N725-Q729 WeakPolarHBondContact O-CG 3.38Å; N725-Q729 PolarHBondContact O-N 2.9Å; I727-Q729 VanDerWaalsContact C-N 3.34Å; I727-Q729 PolarHBondContact O-N 3.31Å; Q729-K733 PolarHBondContact O-N 3.47Å
730	L	89.1	Confident	87.5	Confident	32 Å²	32	82.9 Å²	82.9	17%	0.168	39%	0.392	C	S	.	.	H	α-helix	trans	-67.2	-47.6	178.9	-175.9	64.7	0	0	0	112	I671 K672 I675 D726 I727 V728 K733 Y734	I671-L730 HydrophobicContact CB-CD2 4.18Å; I671-L730 HydrophobicContact CG2-CD2 3.58Å; I671-L730 HydrophobicContact CG2-CG 4.38Å; K672-L730 HydrophobicContact CG-CD1 4.34Å; K672-L730 HydrophobicContact CG-CD2 3.87Å; I675-L730 HydrophobicContact CD1-CD1 4.36Å; I675-L730 HydrophobicContact CD1-CD2 4.42Å; I675-L730 HydrophobicContact CD1-CG 3.99Å; D726-L730 WeakPolarHBondContact O-CB 3.44Å; D726-L730 PolarHBondContact O-N 2.81Å; D726-L730 VanDerWaalsContact O-N 3.17Å; I727-L730 WeakPolarHBondContact O-CB 3.13Å; I727-L730 PolarHBondContact O-N 3.26Å; I727-L730 VanDerWaalsContact O-N 3.16Å; V728-L730 VanDerWaalsContact C-N 3.28Å; V728-L730 PolarHBondContact O-N 3.23Å; L730-K733 PolarHBondContact O-N 2.59Å; L730-Y734 HydrophobicContact CD1-CE2 4.3Å; L730-Y734 WeakPolarHBondContact O-CD2 3.14Å
731	L	87.6	Confident	87.2	Confident	0 Å²	0	82.1 Å²	82.1	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-70.2	-38.5	-178.5	-68.9	176.8	0	0	0	112.2	L659 V663 I671 I675 P705 A715 L716 A719 I727 V728 K733 Y734 Q735	L659-L731 HydrophobicContact CD1-CD2 4.35Å; L659-L731 HydrophobicContact CD2-CD2 4.49Å; V663-L731 HydrophobicContact CG2-CD1 4.11Å; I671-L731 HydrophobicContact CG2-CD2 3.95Å; I675-L731 HydrophobicContact CG2-CD2 4.06Å; P705-L731 HydrophobicContact CB-CD2 4.41Å; A715-L731 HydrophobicContact CB-CD1 4.32Å; L716-L731 HydrophobicContact CB-CD1 4.44Å; L716-L731 HydrophobicContact CD1-CB 4.04Å; L716-L731 HydrophobicContact CD1-CD1 4.48Å; A719-L731 HydrophobicContact CB-CD1 4.35Å; I727-L731 HydrophobicContact CG2-CD1 3.78Å; I727-L731 HydrophobicContact CG2-CG 4.11Å; I727-L731 WeakPolarHBondContact O-CG 3.49Å; I727-L731 PolarHBondContact O-N 3.33Å; V728-L731 PolarHBondContact O-N 3.45Å; L731-K733 PolarHBondContact O-N 3.07Å; L731-Y734 PolarHBondContact O-N 3.12Å; L731-Y734 VanDerWaalsContact O-N 3.16Å; L731-Q735 PolarHBondContact O-N 2.81Å
732	E	87.2	Confident	86.8	Confident	88 Å²	88	78 Å²	78	41%	0.411	37%	0.366	S	S	.	.	H	α-helix	trans	-64	-28.8	176.7	-74	179.1	165.6	0	0	112.4	L716 K720 V728 Y734	L716-E732 HydrophobicContact CD1-CG 3.93Å; L716-E732 HydrophobicContact CD2-CG 4.07Å; K720-E732 WeakPolarHBondContact CE-OE1 3.18Å; K720-E732 IonicContact NZ-OE1 2.81Å; K720-E732 PolarHBondContact NZ-OE1 3.23Å; V728-E732 HydrophobicContact CG1-CG 4.34Å; V728-E732 WeakPolarHBondContact O-CB 3.37Å; V728-E732 WeakPolarHBondContact O-CG 3.37Å; V728-E732 PolarHBondContact O-N 2.83Å; E732-Y734 VanDerWaalsContact C-N 3.27Å; E732-Y734 PolarHBondContact O-N 3.46Å
733	K	82.1	Confident	86.4	Confident	169 Å²	169	77.4 Å²	77.4	74%	0.735	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-24.5	175.7	-171.9	-179.3	176.9	-172.7	0	113.4	Q729 L730 L731	Q729-K733 PolarHBondContact O-N 3.47Å; L730-K733 PolarHBondContact O-N 2.59Å; L731-K733 PolarHBondContact O-N 3.07Å
734	Y	72.2	Confident	86	Confident	95 Å²	95	73 Å²	73	37%	0.373	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	7.7	-175.7	-79.1	-97.9	0	0	0	113.6	I675 L730 L731 E732	I675-Y734 HydrophobicContact CB-CD1 4.41Å; I675-Y734 HydrophobicContact CB-CG 4.43Å; I675-Y734 HydrophobicContact CD1-CD1 4.33Å; I675-Y734 HydrophobicContact CD1-CD2 3.45Å; I675-Y734 VanDerWaalsContact CD1-CD2 3.45Å; I675-Y734 HydrophobicContact CD1-CE2 3.74Å; I675-Y734 HydrophobicContact CD1-CG 3.78Å; I675-Y734 HydrophobicContact CG1-CD1 4.08Å; I675-Y734 HydrophobicContact CG1-CD2 4.09Å; I675-Y734 HydrophobicContact CG1-CE1 4.19Å; I675-Y734 HydrophobicContact CG1-CE2 4.19Å; I675-Y734 HydrophobicContact CG1-CG 4.03Å; L730-Y734 HydrophobicContact CD1-CE2 4.3Å; L730-Y734 WeakPolarHBondContact O-CD2 3.14Å; L731-Y734 PolarHBondContact O-N 3.12Å; L731-Y734 VanDerWaalsContact O-N 3.16Å; E732-Y734 VanDerWaalsContact C-N 3.27Å; E732-Y734 PolarHBondContact O-N 3.46Å
735	Q	64.7	Low	85.2	Confident	128 Å²	128	75.3 Å²	75.3	60%	0.598	35%	0.354	S	S	*	.			trans	-77.9	0	175.3	-78	-163.1	-28.1	0	0	113.6	K706 L731	K706-Q735 PolarHBondContact NZ-O 3.43Å; L731-Q735 PolarHBondContact O-N 2.81Å

Retrieved 735 of 735 residues in 1083.5 ms (Link to these results)

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