A0A060Y7L9_ONCMY Loading...

X-prolyl aminopeptidase 3, mitochondrial

AlphaFold DB , UniProt , Accession A0A060Y7L9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 509 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	35.1	Very low	27.6	Very low	244 Å²	244	159.2 Å²	159.2	100%	1.202	87%	0.872	S	S	*	*				0	102.7	0	-76.5	-179.9	-175.6	0	0	108.3
2	L	24	Very low	27.7	Very low	173 Å²	173	153.7 Å²	153.7	91%	0.906	86%	0.863	S	S	*	*			trans	-144.3	135.2	164.4	-83.4	169.5	0	0	0	106
3	P	27.8	Very low	27.8	Very low	118 Å²	118	152.5 Å²	152.5	77%	0.766	86%	0.862	S	S	*	*			trans	-86	146	-175.4	33.6	-31.1	0	0	0	111.9
4	S	28.2	Very low	27.6	Very low	119 Å²	119	155.3 Å²	155.3	83%	0.832	87%	0.865	S	S	*	*			trans	-62.5	157.4	170.9	-69.1	0	0	0	0	113.3
5	P	28.3	Very low	27.8	Very low	131 Å²	131	155.9 Å²	155.9	85%	0.851	87%	0.865	S	S	*	*			trans	-122	126.2	135.5	28.5	-13.6	0	0	0	111
6	N	30.5	Very low	27.7	Very low	151 Å²	151	154.2 Å²	154.2	81%	0.807	86%	0.859	S	S	*	*			trans	-96.5	163.7	168.7	-138.6	-13.5	0	0	0	108.1
7	I	28	Very low	27.5	Very low	147 Å²	147	150.9 Å²	150.9	75%	0.754	85%	0.849	S	S	*	*			trans	102	90	167.7	-51.6	157.4	0	0	0	115
8	L	24.3	Very low	27.6	Very low	156 Å²	156	155.9 Å²	155.9	82%	0.817	85%	0.854	S	S	*	*				-179.7	152.5	112.3	-94.6	157.3	0	0	0	111.9
9	T	24.2	Very low	27.5	Very low	138 Å²	138	152.7 Å²	152.7	85%	0.847	84%	0.844	S	S	*	*			trans	75.5	79.7	173.8	64.7	0	0	0	0	118.6
10	R	26	Very low	27.7	Very low	250 Å²	250	154.6 Å²	154.6	94%	0.943	84%	0.843	S	S	*	*			trans	-117.3	113.3	144.6	-88.1	-173.4	174.2	-175.5	-1.3	108.4
11	S	27	Very low	27.6	Very low	124 Å²	124	157.1 Å²	157.1	87%	0.867	85%	0.847	S	S	*	*			trans	-176.8	101.9	142.8	46.7	0	0	0	0	109.7
12	A	28.7	Very low	27.4	Very low	93 Å²	93	157.9 Å²	157.9	77%	0.769	84%	0.836	S	S	*	*			trans	175.1	84.5	150.8	0	0	0	0	0	108.6
13	T	29.2	Very low	27.5	Very low	138 Å²	138	154.8 Å²	154.8	85%	0.847	83%	0.829	S	S	*	*			trans	178.3	98.9	145.2	14.7	0	0	0	0	108.2
14	Q	25.3	Very low	27.7	Very low	192 Å²	192	158.2 Å²	158.2	90%	0.897	84%	0.835	S	S	*	*			trans	-116.6	104.6	151.6	-125.6	175.5	-5.8	0	0	106.6	V16	Q14-V16 PolarHBondContact O-N 3.44Å
15	L	30.3	Very low	27.9	Very low	165 Å²	165	156 Å²	156	86%	0.864	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-53.2	122.1	169	-74.7	140.3	0	0	0	109.3
16	V	26.6	Very low	27.8	Very low	128 Å²	128	157.1 Å²	157.1	78%	0.776	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-92.8	122.5	159.5	179	0	0	0	0	107	Q14 Y18	Q14-V16 PolarHBondContact O-N 3.44Å; V16-Y18 PolarHBondContact O-N 3.28Å
17	S	23.7	Very low	27.8	Very low	98 Å²	98	155.9 Å²	155.9	69%	0.685	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-64.4	123.8	-179.9	61.5	0	0	0	0	111.1	S19	S17-S19 PolarHBondContact O-N 3.48Å
18	Y	29.5	Very low	27.6	Very low	241 Å²	241	160.6 Å²	160.6	95%	0.945	83%	0.825	S	S	*	*			trans	-76.8	103.3	165.5	-90.3	-93.1	0	0	0	109.3	V16	V16-Y18 PolarHBondContact O-N 3.28Å
19	S	26.7	Very low	27.8	Very low	95 Å²	95	156.4 Å²	156.4	66%	0.664	81%	0.808	S	S	*	*			trans	-135.1	114	162.8	67.1	0	0	0	0	110.3	S17	S17-S19 PolarHBondContact O-N 3.48Å
20	K	31.7	Very low	28	Very low	190 Å²	190	155.8 Å²	155.8	83%	0.826	81%	0.807	S	S	*	*			trans	45.7	101	153.4	-69.6	-179.8	176.3	178.6	0	117
21	F	25.2	Very low	28.4	Very low	208 Å²	208	147 Å²	147	91%	0.912	78%	0.783	S	S	*	*			trans	-156.9	99.1	131.4	-100.1	-76.5	0	0	0	108.3
22	W	30.3	Very low	28.8	Very low	260 Å²	260	151.5 Å²	151.5	99%	0.985	78%	0.781	S	S	*	*			trans	-90.3	112	167.6	-82.5	72.4	0	0	0	107.8
23	S	26.2	Very low	29.1	Very low	108 Å²	108	152.8 Å²	152.8	76%	0.755	77%	0.774	S	S	*	*			trans	-138.6	128.6	156.1	59.4	0	0	0	0	108.2
24	Q	32.5	Very low	29.5	Very low	191 Å²	191	148.6 Å²	148.6	89%	0.893	75%	0.749	S	S	*	*	S	Bend	trans	-12.9	125.8	178.9	-64.2	172.2	-15	0	0	117.8
25	G	32.8	Very low	30	Very low	71 Å²	71	144.3 Å²	144.3	73%	0.732	74%	0.74	S	S	*	*			trans	101.3	18.6	135.5	0	0	0	0	0	120.6
26	H	26	Very low	30.5	Very low	156 Å²	156	138.6 Å²	138.6	72%	0.722	71%	0.712	S	S	*	*			trans	-135.5	104.5	176.7	-66.5	-55	0	0	0	113.4
27	L	28.8	Very low	31	Very low	125 Å²	125	139.3 Å²	139.3	65%	0.654	70%	0.704	S	S	*	*			trans	-74	131.5	158.3	-89.6	103.8	0	0	0	108.9	C29	L27-C29 PolarHBondContact O-N 3.48Å
28	W	23.9	Very low	31.9	Very low	246 Å²	246	140 Å²	140	93%	0.932	71%	0.707	S	S	*	*			trans	-83.2	106	178.8	-157.9	76.5	0	0	0	109.6
29	C	29.9	Very low	32.2	Very low	68 Å²	68	135.9 Å²	135.9	46%	0.459	70%	0.696	S	S	.	*			trans	-116.8	138.6	169.9	-177.9	0	0	0	0	108	L27 C31	L27-C29 PolarHBondContact O-N 3.48Å; C29-C31 PolarHBondContact O-N 3.47Å; C29-C31 VanDerWaalsContact SG-SG 3.7Å
30	P	28.7	Very low	33	Very low	125 Å²	125	134.9 Å²	134.9	81%	0.812	70%	0.701	S	S	*	*	S	Bend	trans	-67.8	-2.8	179.3	7.3	-0.7	0	0	0	113.7
31	C	33.1	Very low	33.7	Very low	65 Å²	65	131.2 Å²	131.2	44%	0.439	68%	0.682	S	S	.	*	S	Bend	trans	-82.7	115.6	167	-51.1	0	0	0	0	108.2	C29 N33	C29-C31 PolarHBondContact O-N 3.47Å; C29-C31 VanDerWaalsContact SG-SG 3.7Å; C31-N33 PolarHBondContact O-N 3.28Å
32	R	34.8	Very low	34.8	Very low	218 Å²	218	130.3 Å²	130.3	82%	0.823	68%	0.678	S	S	*	*			trans	-35	132.6	174.2	-71.7	176.8	173.7	-172.5	-1.1	111.1	V34	R32-V34 VanDerWaalsContact C-N 3.3Å; R32-V34 PolarHBondContact O-N 3.34Å
33	N	35.3	Very low	35.9	Very low	120 Å²	120	122.8 Å²	122.8	64%	0.642	66%	0.662	S	S	*	*			trans	-55.3	91.9	170.9	-81.9	-25.6	0	0	0	109.6	C31 S35	C31-N33 PolarHBondContact O-N 3.28Å; N33-S35 VanDerWaalsContact C-N 3.34Å; N33-S35 PolarHBondContact O-N 3.35Å
34	V	38.2	Very low	37.7	Very low	50 Å²	50	122.7 Å²	122.7	30%	0.303	65%	0.65	S	S	.	*			trans	-76.7	93	170.2	-178.6	0	0	0	0	106.2	R32 V36 Q82	R32-V34 VanDerWaalsContact C-N 3.3Å; R32-V34 PolarHBondContact O-N 3.34Å; V34-V36 HydrophobicContact CG1-CG2 4.35Å; V34-Q82 HydrophobicContact CG1-CB 4.45Å
35	S	35.1	Very low	39.6	Very low	103 Å²	103	123 Å²	123	72%	0.72	65%	0.648	S	S	*	*			trans	-85.6	108.2	168	-178.4	0	0	0	0	107.9	N33 K37	N33-S35 VanDerWaalsContact C-N 3.34Å; N33-S35 PolarHBondContact O-N 3.35Å; S35-K37 PolarHBondContact O-N 3.5Å
36	V	41.7	Very low	41.7	Very low	44 Å²	44	121.1 Å²	121.1	27%	0.267	62%	0.623	S	S	.	*			trans	-79.8	109.2	164.1	-177.6	0	0	0	0	106.2	V34 P38 L79 Q82	V34-V36 HydrophobicContact CG1-CG2 4.35Å; V36-P38 WeakPolarHBondContact O-CD 3.42Å; V36-L79 HydrophobicContact CB-CD2 4.07Å; V36-L79 HydrophobicContact CG2-CD2 3.41Å; V36-L79 VanDerWaalsContact CG2-CD2 3.41Å; V36-L79 HydrophobicContact CG2-CG 4.24Å; V36-Q82 VanDerWaalsContact CG2-CD 3.5Å; V36-Q82 VanDerWaalsContact CG2-NE2 3.3Å
37	K	37.9	Very low	44.1	Very low	143 Å²	143	114.6 Å²	114.6	62%	0.622	59%	0.594	S	S	*	*			trans	-64.5	130	168.6	-76.1	-172.8	166.6	-160.1	0	108	S35 E39	S35-K37 PolarHBondContact O-N 3.5Å; K37-E39 HydrophobicContact CB-CB 4.34Å; K37-E39 IonicContact NZ-OE2 3.55Å; K37-E39 PolarHBondContact NZ-OE2 2.68Å; K37-E39 PolarHBondContact O-N 3.01Å
38	P	42.3	Very low	46.3	Very low	113 Å²	113	113.4 Å²	113.4	73%	0.734	59%	0.594	S	S	*	*			trans	-64	-5.5	171	-17.9	30.3	0	0	0	113.5	V36 G40	V36-P38 WeakPolarHBondContact O-CD 3.42Å; P38-G40 PolarHBondContact O-N 2.98Å; P38-G40 VanDerWaalsContact O-N 3.13Å
39	E	35.5	Very low	49.1	Very low	154 Å²	154	105 Å²	105	72%	0.72	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	102.2	-173.9	-66.2	-179	156	0	0	110.9	K37	K37-E39 HydrophobicContact CB-CB 4.34Å; K37-E39 IonicContact NZ-OE2 3.55Å; K37-E39 PolarHBondContact NZ-OE2 2.68Å; K37-E39 PolarHBondContact O-N 3.01Å
40	G	42.5	Very low	51.3	Low	75 Å²	75	109.8 Å²	109.8	77%	0.773	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	133.4	-10.3	170.8	0	0	0	0	0	114.8	P38 K42	P38-G40 PolarHBondContact O-N 2.98Å; P38-G40 VanDerWaalsContact O-N 3.13Å; G40-K42 PolarHBondContact O-N 2.86Å
41	W	46.9	Very low	54.1	Low	112 Å²	112	104.1 Å²	104.1	42%	0.424	53%	0.534	S	S	.	.			trans	-71.2	102.5	178.1	-122.8	65.8	0	0	0	110.3	P43 Q74 G183	W41-P43 WeakPolarHBondContact O-CD 3.37Å; W41-Q74 HydrophobicContact CH2-CB 3.44Å; W41-Q74 VanDerWaalsContact CH2-CB 3.44Å; W41-Q74 HydrophobicContact CH2-CG 3.74Å; W41-Q74 HydrophobicContact CZ2-CB 3.87Å; W41-Q74 HydrophobicContact CZ3-CB 4.15Å; W41-Q74 VanDerWaalsContact CZ3-CD 3.48Å; W41-Q74 HydrophobicContact CZ3-CG 4.38Å; W41-G183 VanDerWaalsContact CH2-CA 3.48Å; W41-G183 VanDerWaalsContact CZ2-CA 3.49Å
42	K	48.8	Very low	56.6	Low	189 Å²	189	102.1 Å²	102.1	82%	0.822	53%	0.525	S	S	*	.			trans	-80.3	106.9	163.5	-74.6	-174.9	-179.8	178.8	0	106.6	G40 Q44	G40-K42 PolarHBondContact O-N 2.86Å; K42-Q44 PolarHBondContact O-N 2.61Å
43	P	53.3	Low	59.4	Low	102 Å²	102	92.7 Å²	92.7	66%	0.662	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-58.8	116.5	178.7	21.8	-30.5	0	0	0	108.6	W41 K45	W41-P43 WeakPolarHBondContact O-CD 3.37Å; P43-K45 PolarHBondContact O-N 3.26Å
44	Q	64.1	Low	62.1	Low	106 Å²	106	88.9 Å²	88.9	50%	0.495	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-65.3	127.3	169.4	-72.3	-168.8	-0.2	0	0	107.3	K42 V46 A180	K42-Q44 PolarHBondContact O-N 2.61Å; Q44-V46 PolarHBondContact O-N 3.08Å; Q44-V46 VanDerWaalsContact O-N 3.12Å; Q44-A180 HydrophobicContact CB-CB 4.06Å
45	K	71.1	Confident	64.7	Low	197 Å²	197	86.5 Å²	86.5	86%	0.857	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-64.4	117.4	176.5	-100	-177	174.5	179	0	108.5	P43 P47	P43-K45 PolarHBondContact O-N 3.26Å; K45-P47 WeakPolarHBondContact O-CD 3.37Å
46	V	77.1	Confident	67.3	Low	33 Å²	33	82.2 Å²	82.2	20%	0.2	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-55.2	125.4	168.9	-179.8	0	0	0	0	108.1	Q44 L51 A180	Q44-V46 PolarHBondContact O-N 3.08Å; Q44-V46 VanDerWaalsContact O-N 3.12Å; V46-L51 HydrophobicContact CG1-CD1 3.84Å; V46-A180 HydrophobicContact CG2-CB 4.32Å
47	P	76.3	Confident	69.5	Low	18 Å²	18	85.6 Å²	85.6	12%	0.117	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-55.4	138.2	-179.3	-27.9	35.2	0	0	0	111.5	K45 R49	K45-P47 WeakPolarHBondContact O-CD 3.37Å; P47-R49 HydrophobicContact CB-CG 4.03Å; P47-R49 PolarHBondContact O-N 3.18Å
48	P	76.7	Confident	71.9	Confident	101 Å²	101	80.2 Å²	80.2	66%	0.656	42%	0.416	S	S	*	.	S	Bend	trans	-77.2	65.2	-179.4	33	-36.1	0	0	0	111.1	F57	P48-F57 VanDerWaalsContact CA-CZ 3.47Å; P48-F57 HydrophobicContact CB-CD1 4.36Å; P48-F57 HydrophobicContact CB-CD2 4Å; P48-F57 HydrophobicContact CB-CE1 3.85Å; P48-F57 HydrophobicContact CB-CE2 3.43Å; P48-F57 VanDerWaalsContact CB-CE2 3.43Å; P48-F57 HydrophobicContact CB-CG 4.43Å; P48-F57 HydrophobicContact CB-CZ 3.35Å
49	R	80.8	Confident	74.3	Confident	70 Å²	70	77.3 Å²	77.3	26%	0.264	39%	0.392	S	S	.	.	S	Bend	trans	-152.2	170.3	179.7	68.3	-173.9	-169.7	-130.1	0.2	110.2	P47 L51 S173 D176	P47-R49 HydrophobicContact CB-CG 4.03Å; P47-R49 PolarHBondContact O-N 3.18Å; R49-L51 PolarHBondContact O-N 3.17Å; R49-S173 PolarHBondContact NH2-O 2.87Å; R49-D176 IonicContact CZ-OD1 2.85Å; R49-D176 IonicContact CZ-OD2 3.89Å; R49-D176 VanDerWaalsContact CZ-OD2 3.23Å; R49-D176 IonicContact NH1-OD2 3.69Å; R49-D176 PolarHBondContact NH1-OD2 3.26Å; R49-D176 IonicContact NH2-OD1 3.86Å; R49-D176 PolarHBondContact NH2-OD1 3.29Å; R49-D176 IonicContact NH2-OD2 2.8Å; R49-D176 PolarHBondContact NH2-OD2 2.92Å
50	Y	77.8	Confident	77.1	Confident	168 Å²	168	74.4 Å²	74.4	66%	0.659	39%	0.387	S	S	*	.			trans	-65.4	131.3	170.8	-67.4	-91.2	0	0	0	111.4	T58 P171	Y50-T58 HydrophobicContact CD1-CG2 3.87Å; Y50-T58 HydrophobicContact CE1-CG2 4.35Å; Y50-T58 HydrophobicContact CG-CG2 4.25Å; Y50-P171 HydrophobicContact CG-CG 4.46Å
51	L	86.7	Confident	79.5	Confident	5 Å²	5	77.8 Å²	77.8	3%	0.026	38%	0.382	C	S	.	.			trans	-99.4	167.7	167.4	-60.3	-169	0	0	0	108.7	V46 R49 Q53 P171 L181	V46-L51 HydrophobicContact CG1-CD1 3.84Å; R49-L51 PolarHBondContact O-N 3.17Å; L51-Q53 PolarHBondContact O-N 3.46Å; L51-P171 WeakPolarHBondContact O-CG 3.36Å; L51-L181 HydrophobicContact CD1-CB 4.14Å; L51-L181 HydrophobicContact CD1-CD2 4.11Å
52	G	86.4	Confident	81.7	Confident	24 Å²	24	75.9 Å²	75.9	25%	0.247	38%	0.38	C	S	.	.	S	Bend	trans	-71.8	8	177.1	0	0	0	0	0	115.1	E138 P171 S173	G52-E138 WeakPolarHBondContact CA-OE1 3.41Å; G52-E138 PolarHBondContact N-OE1 3.39Å; G52-P171 WeakPolarHBondContact CA-O 3.11Å; G52-S173 PolarHBondContact N-OG 2.9Å
53	Q	93.1	Very high	83.8	Confident	19 Å²	19	66.9 Å²	66.9	9%	0.089	34%	0.341	C	S	.	.	S	Bend	trans	-154.6	177.8	173.9	64.5	-175.8	80.3	0	0	110.7	L51 S55 G135 L137 L181	L51-Q53 PolarHBondContact O-N 3.46Å; Q53-S55 PolarHBondContact O-N 3.3Å; Q53-G135 PolarHBondContact NE2-O 3.12Å; Q53-L137 HydrophobicContact CB-CB 4.02Å; Q53-L137 HydrophobicContact CB-CD1 4.38Å; Q53-L181 HydrophobicContact CG-CD2 3.59Å
54	L	92.5	Very high	85.8	Confident	40 Å²	40	69 Å²	69	21%	0.209	34%	0.339	C	S	.	.			trans	-54.7	137.9	174.3	-54.3	179.3	0	0	0	110.6	H59 L62 I63 P70 F336	L54-H59 HydrophobicContact CD2-CB 4.19Å; L54-H59 VanDerWaalsContact CD2-CD2 3.47Å; L54-H59 WeakPolarHBondContact CD2-CD2 3.46Å; L54-H59 VanDerWaalsContact CD2-CE1 3.47Å; L54-H59 WeakPolarHBondContact CD2-CE1 3.25Å; L54-H59 VanDerWaalsContact CD2-CG 3.45Å; L54-H59 WeakPolarHBondContact CD2-ND1 3.19Å; L54-H59 WeakPolarHBondContact CD2-NE2 3.4Å; L54-L62 HydrophobicContact CD1-CD1 4.26Å; L54-I63 HydrophobicContact CB-CG2 4.32Å; L54-P70 HydrophobicContact CD1-CG 4.25Å; L54-F336 HydrophobicContact CD1-CD1 4.5Å; L54-F336 HydrophobicContact CD1-CE1 3.7Å; L54-F336 HydrophobicContact CD1-CZ 4.41Å
55	S	92.4	Very high	87.1	Confident	0 Å²	0	71 Å²	71	0%	0	35%	0.353	C	S	.	.			trans	-140.3	158.7	174.2	85.2	0	0	0	0	110.7	Q53 F57 T58 H59 I63	Q53-S55 PolarHBondContact O-N 3.3Å; S55-F57 PolarHBondContact O-N 3.09Å; S55-F57 PolarHBondContact OG-N 3.26Å; S55-T58 PolarHBondContact N-OG1 3.18Å; S55-T58 VanDerWaalsContact N-OG1 3.15Å; S55-T58 PolarHBondContact O-N 3.22Å; S55-T58 VanDerWaalsContact O-N 3.12Å; S55-T58 PolarHBondContact O-OG1 2.88Å; S55-T58 PolarHBondContact OG-N 3.47Å; S55-T58 PolarHBondContact OG-OG1 3.07Å; S55-T58 VanDerWaalsContact OG-OG1 3.12Å; S55-H59 PolarHBondContact O-N 3.15Å; S55-I63 VanDerWaalsContact O-CG2 3.25Å; S55-I63 WeakPolarHBondContact O-CG2 3.42Å
56	P	90.3	Very high	88	Confident	13 Å²	13	63.1 Å²	63.1	8%	0.084	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.8	178.2	-26.5	36.4	0	0	0	113.8	P60 I63 K64 N65	P56-P60 WeakPolarHBondContact O-CB 3.13Å; P56-I63 HydrophobicContact CG-CG1 4.32Å; P56-K64 VanDerWaalsContact CG-O 3.22Å; P56-K64 WeakPolarHBondContact CG-O 3.33Å; P56-N65 VanDerWaalsContact CB-OD1 3.26Å; P56-N65 WeakPolarHBondContact CB-OD1 3.29Å
57	F	86.3	Confident	88.9	Confident	115 Å²	115	62.4 Å²	62.4	50%	0.504	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-43.1	177.2	-177.6	-98.3	0	0	0	112.5	P48 S55	P48-F57 VanDerWaalsContact CA-CZ 3.47Å; P48-F57 HydrophobicContact CB-CD1 4.36Å; P48-F57 HydrophobicContact CB-CD2 4Å; P48-F57 HydrophobicContact CB-CE1 3.85Å; P48-F57 HydrophobicContact CB-CE2 3.43Å; P48-F57 VanDerWaalsContact CB-CE2 3.43Å; P48-F57 HydrophobicContact CB-CG 4.43Å; P48-F57 HydrophobicContact CB-CZ 3.35Å; S55-F57 PolarHBondContact O-N 3.09Å; S55-F57 PolarHBondContact OG-N 3.26Å
58	T	89.4	Confident	89.9	Confident	30 Å²	30	61.6 Å²	61.6	18%	0.184	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-30.5	-177.3	52.2	0	0	0	0	112.7	Y50 S55	Y50-T58 HydrophobicContact CD1-CG2 3.87Å; Y50-T58 HydrophobicContact CE1-CG2 4.35Å; Y50-T58 HydrophobicContact CG-CG2 4.25Å; S55-T58 PolarHBondContact N-OG1 3.18Å; S55-T58 VanDerWaalsContact N-OG1 3.15Å; S55-T58 PolarHBondContact O-N 3.22Å; S55-T58 VanDerWaalsContact O-N 3.12Å; S55-T58 PolarHBondContact O-OG1 2.88Å; S55-T58 PolarHBondContact OG-N 3.47Å; S55-T58 PolarHBondContact OG-OG1 3.07Å; S55-T58 VanDerWaalsContact OG-OG1 3.12Å
59	H	93.1	Very high	90.9	Very high	53 Å²	53	57 Å²	57	25%	0.245	29%	0.288	C	S	.	.			trans	-135.5	58	-174.3	-58.8	81.2	0	0	0	112	L54 S55 H61 L62 I63	L54-H59 HydrophobicContact CD2-CB 4.19Å; L54-H59 VanDerWaalsContact CD2-CD2 3.47Å; L54-H59 WeakPolarHBondContact CD2-CD2 3.46Å; L54-H59 VanDerWaalsContact CD2-CE1 3.47Å; L54-H59 WeakPolarHBondContact CD2-CE1 3.25Å; L54-H59 VanDerWaalsContact CD2-CG 3.45Å; L54-H59 WeakPolarHBondContact CD2-ND1 3.19Å; L54-H59 WeakPolarHBondContact CD2-NE2 3.4Å; S55-H59 PolarHBondContact O-N 3.15Å; H59-H61 PolarHBondContact O-N 3.08Å; H59-L62 HydrophobicContact CB-CB 4.34Å; H59-L62 HydrophobicContact CB-CD1 4.48Å; H59-L62 PolarHBondContact O-N 2.93Å; H59-I63 HydrophobicContact CB-CG2 4.18Å; H59-I63 WeakPolarHBondContact O-CG2 3.26Å; H59-I63 PolarHBondContact O-N 3.47Å
60	P	92.8	Very high	91.6	Very high	93 Å²	93	54.1 Å²	54.1	60%	0.604	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.4	-177.7	25.8	-35.7	0	0	0	114.1	P56	P56-P60 WeakPolarHBondContact O-CB 3.13Å
61	H	93.3	Very high	92.5	Very high	146 Å²	146	47.7 Å²	47.7	68%	0.676	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-15.6	175.9	62.5	-77.9	0	0	0	113.6	H59	H59-H61 PolarHBondContact O-N 3.08Å
62	L	92.9	Very high	93.1	Very high	71 Å²	71	47.7 Å²	47.7	37%	0.372	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-35.9	-179.6	-64	176.2	0	0	0	113.1	L54 H59 P70 F336	L54-L62 HydrophobicContact CD1-CD1 4.26Å; H59-L62 HydrophobicContact CB-CB 4.34Å; H59-L62 HydrophobicContact CB-CD1 4.48Å; H59-L62 PolarHBondContact O-N 2.93Å; L62-P70 WeakPolarHBondContact O-CB 3.5Å; L62-F336 HydrophobicContact CD1-CZ 4.4Å; L62-F336 HydrophobicContact CD2-CZ 4.37Å
63	I	94.3	Very high	93.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.268	C	S	.	.	S	Bend	trans	-129.9	129	-172.8	-174.9	173.8	0	0	0	110.5	L54 S55 P56 H59 E67 V68 P70	L54-I63 HydrophobicContact CB-CG2 4.32Å; S55-I63 VanDerWaalsContact O-CG2 3.25Å; S55-I63 WeakPolarHBondContact O-CG2 3.42Å; P56-I63 HydrophobicContact CG-CG1 4.32Å; H59-I63 HydrophobicContact CB-CG2 4.18Å; H59-I63 WeakPolarHBondContact O-CG2 3.26Å; H59-I63 PolarHBondContact O-N 3.47Å; I63-E67 HydrophobicContact CD1-CB 4.13Å; I63-E67 HydrophobicContact CG1-CB 3.56Å; I63-V68 WeakPolarHBondContact CD1-O 3.38Å; I63-P70 HydrophobicContact CB-CG 4.22Å
64	K	93.7	Very high	93.8	Very high	146 Å²	146	49.2 Å²	49.2	64%	0.635	27%	0.268	S	S	*	.			trans	-88.7	158.7	-175.8	-60	172.7	-171.7	160.4	0	111.3	P56 G66 E67	P56-K64 VanDerWaalsContact CG-O 3.22Å; P56-K64 WeakPolarHBondContact CG-O 3.33Å; K64-G66 PolarHBondContact O-N 2.88Å; K64-E67 HydrophobicContact CB-CG 4.19Å; K64-E67 PolarHBondContact N-OE2 3.13Å; K64-E67 WeakPolarHBondContact O-CB 3.47Å; K64-E67 PolarHBondContact O-N 3.33Å
65	N	91.8	Very high	94	Very high	147 Å²	147	50.2 Å²	50.2	79%	0.786	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	130	171.2	-73.8	-40	0	0	0	110.8	P56	P56-N65 VanDerWaalsContact CB-OD1 3.26Å; P56-N65 WeakPolarHBondContact CB-OD1 3.29Å
66	G	91.6	Very high	94.3	Very high	32 Å²	32	51.6 Å²	51.6	33%	0.33	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	-7.3	-175.9	0	0	0	0	0	114.6	K64 T73 Q74	K64-G66 PolarHBondContact O-N 2.88Å; G66-T73 CarbonylContact O-C 3.57Å; G66-T73 VanDerWaalsContact O-CA 3.3Å; G66-T73 WeakPolarHBondContact O-CA 3.35Å; G66-Q74 WeakPolarHBondContact O-CG 3.37Å; G66-Q74 PolarHBondContact O-N 2.65Å
67	E	95.8	Very high	94.6	Very high	18 Å²	18	51.1 Å²	51.1	8%	0.084	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	144.9	169.8	-66.8	176.9	173.4	0	0	111.6	I63 K64 G71 L72 T73	I63-E67 HydrophobicContact CD1-CB 4.13Å; I63-E67 HydrophobicContact CG1-CB 3.56Å; K64-E67 HydrophobicContact CB-CG 4.19Å; K64-E67 PolarHBondContact N-OE2 3.13Å; K64-E67 WeakPolarHBondContact O-CB 3.47Å; K64-E67 PolarHBondContact O-N 3.33Å; E67-G71 VanDerWaalsContact CD-N 3.32Å; E67-G71 WeakPolarHBondContact OE1-CA 3.41Å; E67-G71 PolarHBondContact OE1-N 2.85Å; E67-G71 PolarHBondContact OE2-N 3.13Å; E67-L72 WeakPolarHBondContact CA-O 3.41Å; E67-T73 HydrophobicContact CG-CG2 4.32Å
68	V	96.4	Very high	95.2	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-40.5	173.7	-169.6	0	0	0	0	110.2	I63 L72 Q74 F77 L181 T182	I63-V68 WeakPolarHBondContact CD1-O 3.38Å; V68-L72 PolarHBondContact N-O 3.4Å; V68-Q74 HydrophobicContact CG2-CB 4.2Å; V68-Q74 HydrophobicContact CG2-CG 3.46Å; V68-Q74 VanDerWaalsContact CG2-CG 3.46Å; V68-F77 HydrophobicContact CB-CD2 3.75Å; V68-F77 HydrophobicContact CB-CE2 3.56Å; V68-F77 HydrophobicContact CB-CZ 4.45Å; V68-F77 HydrophobicContact CG1-CD2 4.46Å; V68-F77 HydrophobicContact CG1-CE2 4.31Å; V68-F77 HydrophobicContact CG2-CD2 3.48Å; V68-F77 VanDerWaalsContact CG2-CD2 3.48Å; V68-F77 HydrophobicContact CG2-CE2 3.84Å; V68-F77 HydrophobicContact CG2-CG 4.44Å; V68-L181 HydrophobicContact CG1-CG 4.15Å; V68-L181 WeakPolarHBondContact CG2-O 3.36Å; V68-T182 HydrophobicContact CG1-CG2 4.13Å
69	T	96.9	Very high	95.6	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	155.4	167.7	61.4	0	0	0	0	107.8	G71 L72 F77 G135	T69-G71 PolarHBondContact O-N 3.17Å; T69-G71 VanDerWaalsContact O-N 3.16Å; T69-L72 PolarHBondContact O-N 3.32Å; T69-L72 VanDerWaalsContact O-O 3.13Å; T69-F77 HydrophobicContact CG2-CZ 4.37Å; T69-G135 WeakPolarHBondContact CG2-O 3.32Å
70	P	97.1	Very high	95.8	Very high	9 Å²	9	45.1 Å²	45.1	6%	0.058	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	124.6	-179.9	-33.5	41.1	0	0	0	112.7	L54 L62 I63 L72 F336	L54-P70 HydrophobicContact CD1-CG 4.25Å; L62-P70 WeakPolarHBondContact O-CB 3.5Å; I63-P70 HydrophobicContact CB-CG 4.22Å; P70-L72 VanDerWaalsContact C-N 3.28Å; P70-L72 PolarHBondContact O-N 3.01Å; P70-F336 HydrophobicContact CB-CB 4.39Å; P70-F336 HydrophobicContact CB-CD1 4.15Å; P70-F336 HydrophobicContact CB-CD2 3.53Å; P70-F336 HydrophobicContact CB-CE1 4.35Å; P70-F336 HydrophobicContact CB-CE2 3.72Å; P70-F336 HydrophobicContact CB-CG 3.76Å; P70-F336 HydrophobicContact CB-CZ 4.14Å; P70-F336 HydrophobicContact CG-CD1 3.61Å; P70-F336 HydrophobicContact CG-CD2 3.87Å; P70-F336 HydrophobicContact CG-CE1 3.58Å; P70-F336 HydrophobicContact CG-CE2 3.81Å; P70-F336 HydrophobicContact CG-CG 3.77Å; P70-F336 HydrophobicContact CG-CZ 3.67Å
71	G	96.5	Very high	96.1	Very high	34 Å²	34	41.3 Å²	41.3	35%	0.351	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	-11.7	-179.5	0	0	0	0	0	116.6	E67 T69	E67-G71 VanDerWaalsContact CD-N 3.32Å; E67-G71 WeakPolarHBondContact OE1-CA 3.41Å; E67-G71 PolarHBondContact OE1-N 2.85Å; E67-G71 PolarHBondContact OE2-N 3.13Å; T69-G71 PolarHBondContact O-N 3.17Å; T69-G71 VanDerWaalsContact O-N 3.16Å
72	L	98	Very high	96.3	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.4	-180	-58.4	179.9	0	0	0	111.8	E67 V68 T69 P70 E76 F77 A249 E250 L253 Y338	E67-L72 WeakPolarHBondContact CA-O 3.41Å; V68-L72 PolarHBondContact N-O 3.4Å; T69-L72 PolarHBondContact O-N 3.32Å; T69-L72 VanDerWaalsContact O-O 3.13Å; P70-L72 VanDerWaalsContact C-N 3.28Å; P70-L72 PolarHBondContact O-N 3.01Å; L72-E76 HydrophobicContact CD2-CG 4.21Å; L72-F77 HydrophobicContact CB-CD2 4.47Å; L72-F77 HydrophobicContact CB-CE2 3.52Å; L72-F77 HydrophobicContact CB-CZ 3.86Å; L72-F77 HydrophobicContact CD1-CE2 4.34Å; L72-F77 HydrophobicContact CD1-CZ 3.8Å; L72-A249 HydrophobicContact CD2-CB 3.77Å; L72-E250 HydrophobicContact CD2-CG 4.31Å; L72-L253 HydrophobicContact CD1-CD1 4.32Å; L72-L253 HydrophobicContact CD2-CD1 4.26Å; L72-L253 HydrophobicContact CG-CD1 4.03Å; L72-Y338 HydrophobicContact CD1-CE2 4.1Å
73	T	97.8	Very high	96.6	Very high	58 Å²	58	38.5 Å²	38.5	36%	0.356	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	159	-175.2	67.7	0	0	0	0	113.2	G66 E67 T75 E76 F77	G66-T73 CarbonylContact O-C 3.57Å; G66-T73 VanDerWaalsContact O-CA 3.3Å; G66-T73 WeakPolarHBondContact O-CA 3.35Å; E67-T73 HydrophobicContact CG-CG2 4.32Å; T73-T75 PolarHBondContact O-N 3.12Å; T73-E76 VanDerWaalsContact O-CB 3.3Å; T73-E76 WeakPolarHBondContact O-CB 3.47Å; T73-E76 PolarHBondContact O-N 3.42Å; T73-E76 PolarHBondContact OG1-N 3.22Å; T73-E76 VanDerWaalsContact OG1-N 3.13Å; T73-F77 WeakPolarHBondContact O-CD2 3.14Å; T73-F77 PolarHBondContact O-N 3.19Å
74	Q	96.6	Very high	96.8	Very high	17 Å²	17	38.5 Å²	38.5	8%	0.079	21%	0.206	C	C	.	.	H	α-helix	trans	-54.7	-37.8	170.8	-69.6	159.9	-32.9	0	0	111.8	W41 G66 V68 F77 D78 A180 L181	W41-Q74 HydrophobicContact CH2-CB 3.44Å; W41-Q74 VanDerWaalsContact CH2-CB 3.44Å; W41-Q74 HydrophobicContact CH2-CG 3.74Å; W41-Q74 HydrophobicContact CZ2-CB 3.87Å; W41-Q74 HydrophobicContact CZ3-CB 4.15Å; W41-Q74 VanDerWaalsContact CZ3-CD 3.48Å; W41-Q74 HydrophobicContact CZ3-CG 4.38Å; G66-Q74 WeakPolarHBondContact O-CG 3.37Å; G66-Q74 PolarHBondContact O-N 2.65Å; V68-Q74 HydrophobicContact CG2-CB 4.2Å; V68-Q74 HydrophobicContact CG2-CG 3.46Å; V68-Q74 VanDerWaalsContact CG2-CG 3.46Å; Q74-F77 PolarHBondContact O-N 2.79Å; Q74-D78 PolarHBondContact O-N 2.94Å; Q74-A180 PolarHBondContact NE2-O 3.05Å; Q74-L181 WeakPolarHBondContact CG-O 3.46Å; Q74-L181 PolarHBondContact NE2-O 3.39Å
75	T	97	Very high	96.9	Very high	62 Å²	62	31.5 Å²	31.5	38%	0.38	18%	0.176	S	C	.	.	H	α-helix	trans	-63.5	-39.5	174.6	-53.7	0	0	0	0	112.4	T73 D78 L79	T73-T75 PolarHBondContact O-N 3.12Å; T75-D78 PolarHBondContact O-N 3.03Å; T75-L79 HydrophobicContact CG2-CD1 4.11Å; T75-L79 HydrophobicContact CG2-CG 4.43Å; T75-L79 WeakPolarHBondContact O-CB 3.41Å; T75-L79 VanDerWaalsContact O-CG 3.3Å; T75-L79 WeakPolarHBondContact O-CG 3.2Å; T75-L79 PolarHBondContact O-N 3.43Å
76	E	97.9	Very high	97.2	Very high	28 Å²	28	25.5 Å²	25.5	13%	0.131	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-48.9	176.2	-176.4	74.4	178.5	0	0	110.9	L72 T73 D78 L79 R80 S247	L72-E76 HydrophobicContact CD2-CG 4.21Å; T73-E76 VanDerWaalsContact O-CB 3.3Å; T73-E76 WeakPolarHBondContact O-CB 3.47Å; T73-E76 PolarHBondContact O-N 3.42Å; T73-E76 PolarHBondContact OG1-N 3.22Å; T73-E76 VanDerWaalsContact OG1-N 3.13Å; E76-D78 VanDerWaalsContact C-N 3.31Å; E76-D78 PolarHBondContact O-N 3.35Å; E76-L79 PolarHBondContact O-N 3.38Å; E76-R80 VanDerWaalsContact O-CG 3.3Å; E76-R80 WeakPolarHBondContact O-CG 3.26Å; E76-R80 PolarHBondContact O-N 3.25Å; E76-R80 IonicContact OE1-NE 3.04Å; E76-R80 IonicContact OE1-NH2 3.62Å; E76-S247 WeakPolarHBondContact OE1-CB 3.49Å; E76-S247 PolarHBondContact OE1-OG 3.04Å
77	F	98.4	Very high	97.4	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.013	14%	0.139	C	C	.	.	H	α-helix	trans	-63.4	-37.1	177	-71.5	-76.4	0	0	0	112.5	V68 T69 L72 T73 Q74 R80 R81 L131 Y132 G135	V68-F77 HydrophobicContact CB-CD2 3.75Å; V68-F77 HydrophobicContact CB-CE2 3.56Å; V68-F77 HydrophobicContact CB-CZ 4.45Å; V68-F77 HydrophobicContact CG1-CD2 4.46Å; V68-F77 HydrophobicContact CG1-CE2 4.31Å; V68-F77 HydrophobicContact CG2-CD2 3.48Å; V68-F77 VanDerWaalsContact CG2-CD2 3.48Å; V68-F77 HydrophobicContact CG2-CE2 3.84Å; V68-F77 HydrophobicContact CG2-CG 4.44Å; T69-F77 HydrophobicContact CG2-CZ 4.37Å; L72-F77 HydrophobicContact CB-CD2 4.47Å; L72-F77 HydrophobicContact CB-CE2 3.52Å; L72-F77 HydrophobicContact CB-CZ 3.86Å; L72-F77 HydrophobicContact CD1-CE2 4.34Å; L72-F77 HydrophobicContact CD1-CZ 3.8Å; T73-F77 WeakPolarHBondContact O-CD2 3.14Å; T73-F77 PolarHBondContact O-N 3.19Å; Q74-F77 PolarHBondContact O-N 2.79Å; F77-R80 PolarHBondContact O-N 3.3Å; F77-R81 PolarHBondContact O-N 3.34Å; F77-R81 PolarHBondContact O-NH1 3.15Å; F77-L131 WeakPolarHBondContact CE1-O 3.11Å; F77-Y132 WeakPolarHBondContact CD1-O 3.31Å; F77-Y132 WeakPolarHBondContact CE1-O 3.27Å; F77-G135 VanDerWaalsContact CE1-CA 3.5Å
78	D	97.6	Very high	97.5	Very high	41 Å²	41	24.8 Å²	24.8	22%	0.219	14%	0.135	C	C	.	.	H	α-helix	trans	-65.3	-45.2	175.1	-163.6	60	0	0	0	112.4	Q74 T75 E76 R80 R81 Q82	Q74-D78 PolarHBondContact O-N 2.94Å; T75-D78 PolarHBondContact O-N 3.03Å; E76-D78 VanDerWaalsContact C-N 3.31Å; E76-D78 PolarHBondContact O-N 3.35Å; D78-R80 VanDerWaalsContact C-N 3.28Å; D78-R80 PolarHBondContact O-N 3.31Å; D78-R81 VanDerWaalsContact CA-NH2 3.34Å; D78-R81 PolarHBondContact O-N 3.37Å; D78-R81 VanDerWaalsContact O-N 3.15Å; D78-R81 IonicContact OD1-CZ 3.96Å; D78-R81 IonicContact OD1-NE 2.73Å; D78-R81 IonicContact OD1-NH2 3.64Å; D78-R81 PolarHBondContact OD1-NH2 3.15Å; D78-Q82 WeakPolarHBondContact O-CG 3.32Å; D78-Q82 PolarHBondContact O-N 2.76Å; D78-Q82 PolarHBondContact OD2-NE2 3.33Å
79	L	97.9	Very high	97.4	Very high	31 Å²	31	27.5 Å²	27.5	16%	0.162	15%	0.147	C	C	.	.	H	α-helix	trans	-57.8	-40.1	174.8	-76.6	168.6	0	0	0	112.1	V36 T75 E76 Q82 R83	V36-L79 HydrophobicContact CB-CD2 4.07Å; V36-L79 HydrophobicContact CG2-CD2 3.41Å; V36-L79 VanDerWaalsContact CG2-CD2 3.41Å; V36-L79 HydrophobicContact CG2-CG 4.24Å; T75-L79 HydrophobicContact CG2-CD1 4.11Å; T75-L79 HydrophobicContact CG2-CG 4.43Å; T75-L79 WeakPolarHBondContact O-CB 3.41Å; T75-L79 VanDerWaalsContact O-CG 3.3Å; T75-L79 WeakPolarHBondContact O-CG 3.2Å; T75-L79 PolarHBondContact O-N 3.43Å; E76-L79 PolarHBondContact O-N 3.38Å; L79-Q82 PolarHBondContact O-N 2.7Å; L79-R83 WeakPolarHBondContact O-CB 3.2Å; L79-R83 VanDerWaalsContact O-CG 3.25Å; L79-R83 WeakPolarHBondContact O-CG 3.28Å; L79-R83 PolarHBondContact O-N 2.78Å
80	R	98.4	Very high	97.3	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-60.6	-47.1	175.7	-67.8	170.2	-174.6	-172.3	-5.5	111.6	E76 F77 D78 R83 L84 Y132 L133 E250 Y338	E76-R80 VanDerWaalsContact O-CG 3.3Å; E76-R80 WeakPolarHBondContact O-CG 3.26Å; E76-R80 PolarHBondContact O-N 3.25Å; E76-R80 IonicContact OE1-NE 3.04Å; E76-R80 IonicContact OE1-NH2 3.62Å; F77-R80 PolarHBondContact O-N 3.3Å; D78-R80 VanDerWaalsContact C-N 3.28Å; D78-R80 PolarHBondContact O-N 3.31Å; R80-R83 PolarHBondContact O-N 3.11Å; R80-L84 PolarHBondContact O-N 2.98Å; R80-Y132 HydrophobicContact CB-CD1 4.43Å; R80-Y132 HydrophobicContact CB-CE1 3.91Å; R80-Y132 WeakPolarHBondContact CD-O 3.33Å; R80-Y132 HydrophobicContact CG-CD1 4.46Å; R80-Y132 HydrophobicContact CG-CE1 3.78Å; R80-Y132 HydrophobicContact CG-CE2 4.29Å; R80-Y132 PolarHBondContact NH1-O 2.99Å; R80-L133 HydrophobicContact CB-CD2 4.27Å; R80-E250 IonicContact NH2-OE1 3.69Å; R80-E250 PolarHBondContact NH2-OE1 3.37Å; R80-E250 IonicContact NH2-OE2 2.77Å; R80-Y338 PolarHBondContact NH2-OH 3.44Å
81	R	98.6	Very high	97.1	Very high	12 Å²	12	32.7 Å²	32.7	5%	0.045	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-42.8	176	-67.1	-174.7	-60.4	-95.5	4.8	112	F77 D78 L84 A85 L133 L143 L145	F77-R81 PolarHBondContact O-N 3.34Å; F77-R81 PolarHBondContact O-NH1 3.15Å; D78-R81 VanDerWaalsContact CA-NH2 3.34Å; D78-R81 PolarHBondContact O-N 3.37Å; D78-R81 VanDerWaalsContact O-N 3.15Å; D78-R81 IonicContact OD1-CZ 3.96Å; D78-R81 IonicContact OD1-NE 2.73Å; D78-R81 IonicContact OD1-NH2 3.64Å; D78-R81 PolarHBondContact OD1-NH2 3.15Å; R81-L84 PolarHBondContact O-N 3.37Å; R81-A85 PolarHBondContact O-N 2.89Å; R81-L133 HydrophobicContact CG-CB 4.38Å; R81-L133 HydrophobicContact CG-CD2 4.32Å; R81-L133 PolarHBondContact NH1-O 3Å; R81-L143 HydrophobicContact CG-CD2 4.46Å; R81-L145 HydrophobicContact CB-CD1 4.4Å; R81-L145 HydrophobicContact CB-CD2 4.45Å; R81-L145 HydrophobicContact CG-CD2 4.33Å
82	Q	97.8	Very high	96.8	Very high	46 Å²	46	31.1 Å²	31.1	22%	0.215	16%	0.158	C	C	.	.	H	α-helix	trans	-65	-40	178.3	-69.6	-171.1	22.7	0	0	112.6	V34 V36 D78 L79 A85 S86 R150	V34-Q82 HydrophobicContact CG1-CB 4.45Å; V36-Q82 VanDerWaalsContact CG2-CD 3.5Å; V36-Q82 VanDerWaalsContact CG2-NE2 3.3Å; D78-Q82 WeakPolarHBondContact O-CG 3.32Å; D78-Q82 PolarHBondContact O-N 2.76Å; D78-Q82 PolarHBondContact OD2-NE2 3.33Å; L79-Q82 PolarHBondContact O-N 2.7Å; Q82-A85 PolarHBondContact O-N 2.83Å; Q82-S86 PolarHBondContact O-N 3.19Å; Q82-S86 PolarHBondContact O-OG 2.92Å; Q82-R150 PolarHBondContact O-NH2 3.19Å
83	R	97.9	Very high	96.5	Very high	113 Å²	113	35.3 Å²	35.3	43%	0.426	18%	0.181	S	C	.	.	H	α-helix	trans	-64	-43.3	174.5	-74.5	172.8	179.2	172.7	1.5	111.4	L79 R80 A85 S86 L87 L242	L79-R83 WeakPolarHBondContact O-CB 3.2Å; L79-R83 VanDerWaalsContact O-CG 3.25Å; L79-R83 WeakPolarHBondContact O-CG 3.28Å; L79-R83 PolarHBondContact O-N 2.78Å; R80-R83 PolarHBondContact O-N 3.11Å; R83-A85 VanDerWaalsContact C-N 3.33Å; R83-A85 PolarHBondContact O-N 2.93Å; R83-S86 PolarHBondContact O-N 3.45Å; R83-L87 WeakPolarHBondContact O-CG 3.48Å; R83-L87 PolarHBondContact O-N 2.74Å; R83-L242 HydrophobicContact CB-CD1 4.4Å; R83-L242 HydrophobicContact CB-CD2 3.79Å
84	L	98.4	Very high	96.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.2	-45.4	174.1	-179.3	59.2	0	0	0	111.6	R80 R81 S86 L87 I88 V106 L133 L145 L235 L238 T239 L242	R80-L84 PolarHBondContact O-N 2.98Å; R81-L84 PolarHBondContact O-N 3.37Å; L84-S86 VanDerWaalsContact C-N 3.3Å; L84-S86 PolarHBondContact O-N 3.48Å; L84-L87 PolarHBondContact O-N 3Å; L84-I88 HydrophobicContact CD1-CD1 4.46Å; L84-I88 HydrophobicContact CG-CD1 4.32Å; L84-I88 WeakPolarHBondContact O-CG1 3.3Å; L84-I88 PolarHBondContact O-N 2.82Å; L84-V106 HydrophobicContact CD2-CG1 4.43Å; L84-L133 HydrophobicContact CD2-CD1 3.74Å; L84-L133 HydrophobicContact CD2-CD2 3.95Å; L84-L145 HydrophobicContact CD2-CD1 4.02Å; L84-L235 HydrophobicContact CD1-CD1 3.93Å; L84-L235 HydrophobicContact CD2-CD1 4.22Å; L84-L235 HydrophobicContact CG-CD1 4.47Å; L84-L238 HydrophobicContact CD1-CB 3.84Å; L84-T239 HydrophobicContact CD1-CG2 4.01Å; L84-T239 HydrophobicContact CD2-CG2 4.01Å; L84-L242 HydrophobicContact CB-CD1 3.73Å; L84-L242 HydrophobicContact CD1-CD1 4.22Å
85	A	97.6	Very high	95.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-40	176.4	0	0	0	0	0	112	R81 Q82 R83 I88 E89 R150 P151	R81-A85 PolarHBondContact O-N 2.89Å; Q82-A85 PolarHBondContact O-N 2.83Å; R83-A85 VanDerWaalsContact C-N 3.33Å; R83-A85 PolarHBondContact O-N 2.93Å; A85-I88 PolarHBondContact O-N 3.11Å; A85-E89 PolarHBondContact O-N 2.87Å; A85-R150 HydrophobicContact CB-CG 3.8Å; A85-P151 HydrophobicContact CB-CG 4.15Å; A85-P151 WeakPolarHBondContact CB-O 3.49Å
86	S	96.9	Very high	95.3	Very high	21 Å²	21	43.6 Å²	43.6	15%	0.147	21%	0.21	C	C	.	.	H	α-helix	trans	-67.7	-36.3	174.9	-71.7	0	0	0	0	113.6	Q82 R83 L84 I88 E89 V90 R150	Q82-S86 PolarHBondContact O-N 3.19Å; Q82-S86 PolarHBondContact O-OG 2.92Å; R83-S86 PolarHBondContact O-N 3.45Å; L84-S86 VanDerWaalsContact C-N 3.3Å; L84-S86 PolarHBondContact O-N 3.48Å; S86-I88 VanDerWaalsContact C-N 3.3Å; S86-I88 PolarHBondContact O-N 3.13Å; S86-E89 PolarHBondContact O-N 3.47Å; S86-V90 WeakPolarHBondContact O-CG2 3.42Å; S86-V90 PolarHBondContact O-N 3.27Å; S86-R150 VanDerWaalsContact OG-CZ 3.26Å; S86-R150 PolarHBondContact OG-NE 3.19Å; S86-R150 PolarHBondContact OG-NH2 2.85Å
87	L	96.8	Very high	94.5	Very high	35 Å²	35	47.7 Å²	47.7	18%	0.183	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-39.8	173.9	-71.6	-179.8	0	0	0	111.4	R83 L84 V90 Q91 L238 S241 L242	R83-L87 WeakPolarHBondContact O-CG 3.48Å; R83-L87 PolarHBondContact O-N 2.74Å; L84-L87 PolarHBondContact O-N 3Å; L87-V90 PolarHBondContact O-N 3.15Å; L87-Q91 WeakPolarHBondContact O-CB 3.45Å; L87-Q91 PolarHBondContact O-N 3.17Å; L87-L238 HydrophobicContact CB-CD1 4.46Å; L87-L238 HydrophobicContact CB-CD2 4.29Å; L87-L238 HydrophobicContact CD1-CB 4.32Å; L87-S241 WeakPolarHBondContact CD1-OG 3.49Å; L87-L242 HydrophobicContact CD1-CD1 4.24Å; L87-L242 HydrophobicContact CD1-CD2 3.58Å; L87-L242 HydrophobicContact CD1-CG 3.74Å; L87-L242 HydrophobicContact CG-CD2 4.41Å
88	I	96.4	Very high	93.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-44.7	175.4	-72.7	169.8	0	0	0	111.4	L84 A85 S86 Q91 A92 H104 V106 P151 W206 L235 L238	L84-I88 HydrophobicContact CD1-CD1 4.46Å; L84-I88 HydrophobicContact CG-CD1 4.32Å; L84-I88 WeakPolarHBondContact O-CG1 3.3Å; L84-I88 PolarHBondContact O-N 2.82Å; A85-I88 PolarHBondContact O-N 3.11Å; S86-I88 VanDerWaalsContact C-N 3.3Å; S86-I88 PolarHBondContact O-N 3.13Å; I88-Q91 PolarHBondContact O-N 3.36Å; I88-A92 WeakPolarHBondContact O-CB 3.45Å; I88-A92 PolarHBondContact O-N 3.16Å; I88-H104 HydrophobicContact CG2-CB 4.31Å; I88-V106 HydrophobicContact CD1-CG2 3.27Å; I88-P151 HydrophobicContact CB-CG 4.17Å; I88-P151 HydrophobicContact CD1-CG 3.81Å; I88-P151 HydrophobicContact CG2-CG 3.89Å; I88-W206 HydrophobicContact CB-CZ2 4.37Å; I88-W206 HydrophobicContact CD1-CD2 4.21Å; I88-W206 HydrophobicContact CD1-CG 4.05Å; I88-W206 HydrophobicContact CG1-CD2 4.09Å; I88-W206 HydrophobicContact CG1-CE3 4.42Å; I88-W206 HydrophobicContact CG1-CG 4.44Å; I88-W206 HydrophobicContact CG1-CZ2 4.32Å; I88-W206 HydrophobicContact CG2-CD2 4.43Å; I88-W206 HydrophobicContact CG2-CZ2 3.68Å; I88-W206 VanDerWaalsContact CG2-NE1 3.34Å; I88-L235 HydrophobicContact CD1-CD1 4.43Å; I88-L238 HydrophobicContact CG1-CD1 3.57Å
89	E	94.8	Very high	92.8	Very high	57 Å²	57	51.2 Å²	51.2	27%	0.266	26%	0.263	S	S	.	.	H	α-helix	trans	-56.2	-51	174.9	178.6	-177	-153.7	0	0	110.9	A85 S86 Q91 A92 D93 R150	A85-E89 PolarHBondContact O-N 2.87Å; S86-E89 PolarHBondContact O-N 3.47Å; E89-Q91 VanDerWaalsContact C-N 3.29Å; E89-Q91 PolarHBondContact O-N 2.9Å; E89-A92 WeakPolarHBondContact O-CB 3.3Å; E89-A92 PolarHBondContact O-N 3.44Å; E89-A92 VanDerWaalsContact O-N 3.13Å; E89-D93 PolarHBondContact O-N 2.89Å; E89-R150 HydrophobicContact CB-CB 4.4Å; E89-R150 HydrophobicContact CB-CG 4.38Å; E89-R150 IonicContact OE2-NE 3.27Å
90	V	94.2	Very high	91.9	Very high	64 Å²	64	51.1 Å²	51.1	39%	0.388	27%	0.265	S	S	.	.	H	α-helix	trans	-60.7	-38.6	177.5	170.7	0	0	0	0	111.9	S86 L87 R94	S86-V90 WeakPolarHBondContact O-CG2 3.42Å; S86-V90 PolarHBondContact O-N 3.27Å; L87-V90 PolarHBondContact O-N 3.15Å; V90-R94 WeakPolarHBondContact O-CG 3.49Å; V90-R94 PolarHBondContact O-N 3Å
91	Q	93.2	Very high	91.1	Very high	60 Å²	60	54.9 Å²	54.9	28%	0.28	29%	0.292	S	S	.	.	H	α-helix	trans	-70.8	-37.5	177.1	-168.6	172	1.1	0	0	111.9	L87 I88 E89 R94 L95 W206	L87-Q91 WeakPolarHBondContact O-CB 3.45Å; L87-Q91 PolarHBondContact O-N 3.17Å; I88-Q91 PolarHBondContact O-N 3.36Å; E89-Q91 VanDerWaalsContact C-N 3.29Å; E89-Q91 PolarHBondContact O-N 2.9Å; Q91-R94 PolarHBondContact O-N 3.25Å; Q91-L95 HydrophobicContact CG-CD1 4.42Å; Q91-L95 WeakPolarHBondContact O-CD1 3.17Å; Q91-L95 VanDerWaalsContact O-CG 3.23Å; Q91-L95 WeakPolarHBondContact O-CG 3.19Å; Q91-L95 PolarHBondContact O-N 2.81Å; Q91-W206 HydrophobicContact CB-CH2 4.04Å; Q91-W206 VanDerWaalsContact CD-CH2 3.43Å; Q91-W206 HydrophobicContact CG-CH2 3.86Å; Q91-W206 VanDerWaalsContact OE1-CH2 3.25Å
92	A	91.1	Very high	90.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.7	-44	173.7	0	0	0	0	0	111.1	I88 E89 R94 L95 G96 A99	I88-A92 WeakPolarHBondContact O-CB 3.45Å; I88-A92 PolarHBondContact O-N 3.16Å; E89-A92 WeakPolarHBondContact O-CB 3.3Å; E89-A92 PolarHBondContact O-N 3.44Å; E89-A92 VanDerWaalsContact O-N 3.13Å; A92-R94 VanDerWaalsContact C-N 3.32Å; A92-R94 PolarHBondContact O-N 3.36Å; A92-L95 WeakPolarHBondContact O-CA 3.36Å; A92-L95 WeakPolarHBondContact O-CB 3.39Å; A92-L95 PolarHBondContact O-N 3.24Å; A92-G96 PolarHBondContact O-N 2.88Å; A92-A99 HydrophobicContact CB-CB 4.5Å; A92-A99 WeakPolarHBondContact O-CB 3.42Å
93	D	90.7	Very high	90.5	Very high	93 Å²	93	57.7 Å²	57.7	50%	0.497	31%	0.306	S	S	.	.	H	α-helix	trans	-59.1	-40.7	175.8	-72.8	-15.4	0	0	0	113.2	E89 L95 G96 S100	E89-D93 PolarHBondContact O-N 2.89Å; D93-L95 PolarHBondContact O-N 3.38Å; D93-G96 PolarHBondContact O-N 2.93Å; D93-G96 VanDerWaalsContact O-N 3.16Å; D93-S100 VanDerWaalsContact CA-OG 3.25Å; D93-S100 WeakPolarHBondContact CA-OG 3.43Å; D93-S100 VanDerWaalsContact OD1-CB 3.28Å; D93-S100 WeakPolarHBondContact OD1-CB 3.46Å; D93-S100 PolarHBondContact OD1-OG 2.88Å
94	R	91.1	Very high	90.4	Very high	208 Å²	208	52.4 Å²	52.4	79%	0.785	29%	0.286	S	S	*	.	H	α-helix	trans	-65.8	-23.6	175.4	-70.6	173.1	-175.7	-175.9	2.3	113.3	V90 Q91 A92 G96	V90-R94 WeakPolarHBondContact O-CG 3.49Å; V90-R94 PolarHBondContact O-N 3Å; Q91-R94 PolarHBondContact O-N 3.25Å; A92-R94 VanDerWaalsContact C-N 3.32Å; A92-R94 PolarHBondContact O-N 3.36Å; R94-G96 VanDerWaalsContact C-N 3.35Å
95	L	88.2	Confident	90.4	Very high	81 Å²	81	52.4 Å²	52.4	42%	0.424	29%	0.286	S	S	.	.	H	α-helix	trans	-86.5	-9.9	178.4	-64.8	161.8	0	0	0	112.5	Q91 A92 D93 A99	Q91-L95 HydrophobicContact CG-CD1 4.42Å; Q91-L95 WeakPolarHBondContact O-CD1 3.17Å; Q91-L95 VanDerWaalsContact O-CG 3.23Å; Q91-L95 WeakPolarHBondContact O-CG 3.19Å; Q91-L95 PolarHBondContact O-N 2.81Å; A92-L95 WeakPolarHBondContact O-CA 3.36Å; A92-L95 WeakPolarHBondContact O-CB 3.39Å; A92-L95 PolarHBondContact O-N 3.24Å; D93-L95 PolarHBondContact O-N 3.38Å; L95-A99 HydrophobicContact CB-CB 3.64Å; L95-A99 HydrophobicContact CD1-CB 4.5Å
96	G	87.2	Confident	90.5	Very high	21 Å²	21	52.4 Å²	52.4	22%	0.216	29%	0.286	C	S	.	.			trans	106.2	173.4	173	0	0	0	0	0	114.7	A92 D93 R94 T98 A99 S100	A92-G96 PolarHBondContact O-N 2.88Å; D93-G96 PolarHBondContact O-N 2.93Å; D93-G96 VanDerWaalsContact O-N 3.16Å; R94-G96 VanDerWaalsContact C-N 3.35Å; G96-T98 VanDerWaalsContact C-N 3.28Å; G96-T98 PolarHBondContact O-N 2.73Å; G96-T98 VanDerWaalsContact O-N 3.12Å; G96-A99 WeakPolarHBondContact O-CB 2.81Å; G96-A99 PolarHBondContact O-N 2.61Å; G96-S100 PolarHBondContact O-N 2.81Å; G96-S100 VanDerWaalsContact O-N 3.14Å; G96-S100 PolarHBondContact O-OG 2.66Å
97	P	80.5	Confident	90.5	Very high	114 Å²	114	51.5 Å²	51.5	74%	0.74	28%	0.279	S	S	*	.	H	α-helix	trans	-59	-33.1	-167	-25.7	34.2	0	0	0	115	S100 S101	P97-S100 PolarHBondContact O-N 2.93Å; P97-S101 PolarHBondContact O-N 2.93Å; P97-S101 VanDerWaalsContact O-N 3.16Å; P97-S101 PolarHBondContact O-OG 3.22Å
98	T	81.2	Confident	90.6	Very high	108 Å²	108	50.2 Å²	50.2	66%	0.663	27%	0.273	S	S	*	.	H	α-helix	trans	-66	-38.9	176.3	-48.6	0	0	0	0	111.3	G96 S101 N102	G96-T98 VanDerWaalsContact C-N 3.28Å; G96-T98 PolarHBondContact O-N 2.73Å; G96-T98 VanDerWaalsContact O-N 3.12Å; T98-S101 PolarHBondContact O-OG 2.9Å; T98-N102 PolarHBondContact O-N 2.99Å; T98-N102 PolarHBondContact O-ND2 2.87Å; T98-N102 PolarHBondContact O-OD1 2.7Å; T98-N102 VanDerWaalsContact O-OD1 3.09Å
99	A	79.5	Confident	90.7	Very high	10 Å²	10	50.3 Å²	50.3	8%	0.083	27%	0.273	C	S	.	.	H	α-helix	trans	-71.6	-41.9	177	0	0	0	0	0	111.2	A92 L95 G96 S101 N102 H104	A92-A99 HydrophobicContact CB-CB 4.5Å; A92-A99 WeakPolarHBondContact O-CB 3.42Å; L95-A99 HydrophobicContact CB-CB 3.64Å; L95-A99 HydrophobicContact CD1-CB 4.5Å; G96-A99 WeakPolarHBondContact O-CB 2.81Å; G96-A99 PolarHBondContact O-N 2.61Å; A99-S101 PolarHBondContact O-N 2.95Å; A99-N102 WeakPolarHBondContact O-CB 2.86Å; A99-N102 PolarHBondContact O-N 3.02Å; A99-N102 VanDerWaalsContact O-N 3.16Å; A99-H104 PolarHBondContact O-NE2 3.24Å; A99-H104 VanDerWaalsContact O-NE2 3.15Å
100	S	78.9	Confident	90.9	Very high	30 Å²	30	47.6 Å²	47.6	21%	0.21	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-26.4	177.7	-55.7	0	0	0	0	114.7	D93 G96 P97 G149	D93-S100 VanDerWaalsContact CA-OG 3.25Å; D93-S100 WeakPolarHBondContact CA-OG 3.43Å; D93-S100 VanDerWaalsContact OD1-CB 3.28Å; D93-S100 WeakPolarHBondContact OD1-CB 3.46Å; D93-S100 PolarHBondContact OD1-OG 2.88Å; G96-S100 PolarHBondContact O-N 2.81Å; G96-S100 VanDerWaalsContact O-N 3.14Å; G96-S100 PolarHBondContact O-OG 2.66Å; P97-S100 PolarHBondContact O-N 2.93Å; S100-G149 WeakPolarHBondContact O-CA 3.48Å
101	S	82.8	Confident	91.1	Very high	80 Å²	80	46.1 Å²	46.1	56%	0.559	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-3.9	179.4	50.9	0	0	0	0	113.2	P97 T98 A99 T148	P97-S101 PolarHBondContact O-N 2.93Å; P97-S101 VanDerWaalsContact O-N 3.16Å; P97-S101 PolarHBondContact O-OG 3.22Å; T98-S101 PolarHBondContact O-OG 2.9Å; A99-S101 PolarHBondContact O-N 2.95Å; S101-T148 WeakPolarHBondContact O-CG2 3.14Å
102	N	89	Confident	91.3	Very high	48 Å²	48	44.6 Å²	44.6	26%	0.257	25%	0.245	S	C	.	.	S	Bend	trans	-74	157.2	180	-77.6	-21.2	0	0	0	112.1	T98 A99 H104 G149	T98-N102 PolarHBondContact O-N 2.99Å; T98-N102 PolarHBondContact O-ND2 2.87Å; T98-N102 PolarHBondContact O-OD1 2.7Å; T98-N102 VanDerWaalsContact O-OD1 3.09Å; A99-N102 WeakPolarHBondContact O-CB 2.86Å; A99-N102 PolarHBondContact O-N 3.02Å; A99-N102 VanDerWaalsContact O-N 3.16Å; N102-H104 PolarHBondContact O-CD2 3.41Å; N102-G149 PolarHBondContact O-N 2.84Å
103	K	94.3	Very high	91.6	Very high	68 Å²	68	46.2 Å²	46.2	30%	0.296	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131.9	162	-166.7	173.8	175.2	175.4	0	109	G147 S203 T204	K103-G147 CarbonylContact C-O 3.41Å; K103-G147 WeakPolarHBondContact CA-O 3.47Å; K103-S203 WeakPolarHBondContact CD-OG 3.25Å; K103-S203 VanDerWaalsContact CG-OG 3.29Å; K103-S203 WeakPolarHBondContact CG-OG 3.43Å; K103-S203 CarbonylContact O-C 3.45Å; K103-S203 WeakPolarHBondContact O-CA 3.49Å; K103-S203 WeakPolarHBondContact O-CB 3.39Å; K103-T204 PolarHBondContact O-N 3.18Å
104	H	96.7	Very high	91.8	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.009	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	143	175.2	-65.8	-77.1	0	0	0	110.4	I88 A99 N102 C146 G147 P151 T204 W206	I88-H104 HydrophobicContact CG2-CB 4.31Å; A99-H104 PolarHBondContact O-NE2 3.24Å; A99-H104 VanDerWaalsContact O-NE2 3.15Å; N102-H104 PolarHBondContact O-CD2 3.41Å; H104-C146 VanDerWaalsContact O-CA 3.3Å; H104-C146 WeakPolarHBondContact O-CA 3.47Å; H104-G147 PolarHBondContact N-O 2.91Å; H104-G147 PolarHBondContact O-N 3.2Å; H104-P151 HydrophobicContact CB-CB 4.12Å; H104-P151 HydrophobicContact CB-CG 4.2Å; H104-T204 WeakPolarHBondContact CA-O 3.45Å; H104-W206 AromaticContact CG-NE1 3.89Å; H104-W206 AromaticContact ND1-NE1 3.26Å; H104-W206 PolarHBondContact ND1-NE1 3.14Å
105	L	97.8	Very high	92	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	115.3	179.7	172.3	57.5	0	0	0	109.3	I107 V144 L145 C146 L197 L200 T204 V205 W206 L225	L105-I107 HydrophobicContact CD1-CG1 4.25Å; L105-I107 HydrophobicContact CD2-CD1 4.28Å; L105-I107 HydrophobicContact CG-CD1 4.34Å; L105-I107 HydrophobicContact CG-CG1 4.07Å; L105-V144 HydrophobicContact CD1-CG1 3.41Å; L105-V144 VanDerWaalsContact CD1-CG1 3.41Å; L105-L145 CarbonylContact C-O 3.52Å; L105-L145 WeakPolarHBondContact CA-O 3.47Å; L105-C146 HydrophobicContact CD1-CB 4.36Å; L105-L197 HydrophobicContact CD1-CD2 4.35Å; L105-L197 HydrophobicContact CD2-CD2 4.13Å; L105-L200 HydrophobicContact CD1-CD1 3.83Å; L105-L200 HydrophobicContact CD2-CB 4.1Å; L105-T204 PolarHBondContact N-O 2.8Å; L105-V205 HydrophobicContact CD2-CG2 4.27Å; L105-V205 CarbonylContact O-C 3.57Å; L105-V205 WeakPolarHBondContact O-CA 3.25Å; L105-W206 PolarHBondContact O-N 3.15Å; L105-L225 HydrophobicContact CD2-CD2 3.68Å
106	V	98.5	Very high	92.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.2	171.8	-174.2	0	0	0	0	108.5	L84 I88 V108 V144 L145 P151 W206 L235	L84-V106 HydrophobicContact CD2-CG1 4.43Å; I88-V106 HydrophobicContact CD1-CG2 3.27Å; V106-V108 HydrophobicContact CG1-CG2 4Å; V106-V144 VanDerWaalsContact O-CA 3.3Å; V106-V144 WeakPolarHBondContact O-CA 3.35Å; V106-L145 HydrophobicContact CB-CB 3.85Å; V106-L145 HydrophobicContact CB-CD1 4.4Å; V106-L145 HydrophobicContact CB-CG 4.19Å; V106-L145 HydrophobicContact CG2-CB 4.03Å; V106-L145 HydrophobicContact CG2-CD1 4.43Å; V106-L145 PolarHBondContact N-O 3.26Å; V106-L145 PolarHBondContact O-N 2.97Å; V106-P151 HydrophobicContact CG2-CB 4.14Å; V106-P151 HydrophobicContact CG2-CG 3.93Å; V106-W206 HydrophobicContact CG2-CB 4.18Å; V106-W206 HydrophobicContact CG2-CG 4.43Å; V106-L235 HydrophobicContact CG1-CD1 3.78Å; V106-L235 HydrophobicContact CG1-CD2 3.58Å; V106-L235 HydrophobicContact CG1-CG 4.34Å
107	I	98.6	Very high	92.8	Very high	2 Å²	2	49 Å²	49	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.4	175.4	-54.9	173	0	0	0	108.1	L105 L109 L197 V205 W206 Y207 V222 L225	L105-I107 HydrophobicContact CD1-CG1 4.25Å; L105-I107 HydrophobicContact CD2-CD1 4.28Å; L105-I107 HydrophobicContact CG-CD1 4.34Å; L105-I107 HydrophobicContact CG-CG1 4.07Å; I107-L109 HydrophobicContact CG2-CD2 3.93Å; I107-L109 HydrophobicContact CG2-CG 4.41Å; I107-L197 HydrophobicContact CD1-CD1 4.28Å; I107-L197 HydrophobicContact CD1-CD2 3.79Å; I107-L197 HydrophobicContact CG1-CD2 4.11Å; I107-V205 HydrophobicContact CD1-CG1 4.18Å; I107-W206 PolarHBondContact N-O 3.42Å; I107-W206 VanDerWaalsContact N-O 3.11Å; I107-Y207 HydrophobicContact CB-CD2 3.96Å; I107-Y207 HydrophobicContact CB-CG 4.42Å; I107-Y207 HydrophobicContact CG2-CD2 4.12Å; I107-Y207 HydrophobicContact CG2-CE2 4.37Å; I107-Y207 WeakPolarHBondContact O-CD2 3.28Å; I107-V222 HydrophobicContact CD1-CG1 4.03Å; I107-V222 HydrophobicContact CG2-CG2 4.06Å; I107-L225 HydrophobicContact CD1-CD2 3.94Å
108	V	98.6	Very high	93.5	Very high	8 Å²	8	50 Å²	50	5%	0.048	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123.1	174.3	-163	0	0	0	0	108.1	V106 D129 F130 L133 A142 L143 L235	V106-V108 HydrophobicContact CG1-CG2 4Å; V108-D129 HydrophobicContact CG1-CB 4.3Å; V108-F130 HydrophobicContact CB-CD2 4.49Å; V108-F130 HydrophobicContact CG1-CB 3.88Å; V108-F130 HydrophobicContact CG1-CD2 4.38Å; V108-L133 HydrophobicContact CG2-CD1 3.89Å; V108-A142 CarbonylContact O-C 3.51Å; V108-A142 WeakPolarHBondContact O-CA 3.32Å; V108-L143 HydrophobicContact CB-CB 4.35Å; V108-L143 PolarHBondContact N-O 2.9Å; V108-L143 PolarHBondContact O-N 3.4Å; V108-L235 HydrophobicContact CG2-CD2 3.6Å
109	L	98.8	Very high	94	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	144.4	-178.1	-53.6	178.6	0	0	0	109.9	I107 A142 L193 Y207 C213 H214 L217 H218 V222	I107-L109 HydrophobicContact CG2-CD2 3.93Å; I107-L109 HydrophobicContact CG2-CG 4.41Å; L109-A142 HydrophobicContact CD2-CB 3.73Å; L109-L193 HydrophobicContact CD2-CD2 4.42Å; L109-Y207 HydrophobicContact CD1-CE2 4.2Å; L109-Y207 HydrophobicContact CG-CE2 4.32Å; L109-C213 PolarHBondContact O-SG 2.99Å; L109-H214 HydrophobicContact CB-CB 4.13Å; L109-H214 HydrophobicContact CD1-CB 4.24Å; L109-L217 HydrophobicContact CD1-CB 4.25Å; L109-L217 HydrophobicContact CD2-CB 4.44Å; L109-H218 HydrophobicContact CD1-CB 4.26Å; L109-V222 HydrophobicContact CD1-CG2 4.2Å; L109-V222 HydrophobicContact CD2-CG2 4.22Å
110	S	98.6	Very high	94.7	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.			trans	-68	174.7	168.6	78.9	0	0	0	0	111	Q126 D140 S141 H214	S110-Q126 VanDerWaalsContact CA-OE1 3.23Å; S110-D140 PolarHBondContact OG-N 2.98Å; S110-S141 WeakPolarHBondContact CB-O 3.33Å; S110-S141 PolarHBondContact N-O 2.65Å; S110-S141 PolarHBondContact OG-N 3.14Å; S110-S141 PolarHBondContact OG-O 3.39Å; S110-H214 VanDerWaalsContact O-CB 3.32Å; S110-H214 WeakPolarHBondContact O-CB 3.39Å
111	H	98.3	Very high	95.5	Very high	34 Å²	34	57.8 Å²	57.8	16%	0.157	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-76.6	153	162.4	-77.2	165.2	0	0	0	112	F124 H125 Q126 N127 P139 D140	H111-F124 HydrophobicContact CB-CE2 3.94Å; H111-F124 HydrophobicContact CB-CZ 4.26Å; H111-H125 PolarHBondContact ND1-O 2.98Å; H111-Q126 PolarHBondContact CE1-O 2.96Å; H111-Q126 PolarHBondContact ND1-O 3.22Å; H111-N127 PolarHBondContact ND1-N 2.85Å; H111-P139 VanDerWaalsContact O-CA 3.3Å; H111-P139 WeakPolarHBondContact O-CA 3.4Å; H111-D140 PolarHBondContact O-N 3.34Å
112	P	97.5	Very high	96.1	Very high	28 Å²	28	59.5 Å²	59.5	18%	0.182	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-78.8	167.2	161.4	33.4	-33.1	0	0	0	110.9	C213	P112-C213 WeakPolarHBondContact CD-O 3.47Å
113	I	96.1	Very high	96.4	Very high	34 Å²	34	61.7 Å²	61.7	17%	0.174	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-65.9	136.4	163.6	-60.2	176.2	0	0	0	109.2	Y115 P121 P139	I113-Y115 HydrophobicContact CB-CE2 4.21Å; I113-Y115 HydrophobicContact CG2-CD2 4.28Å; I113-Y115 HydrophobicContact CG2-CE2 3.74Å; I113-P121 HydrophobicContact CG2-CB 3.79Å; I113-P139 HydrophobicContact CD1-CG 4.08Å; I113-P139 HydrophobicContact CG1-CB 3.9Å; I113-P139 HydrophobicContact CG1-CG 3.81Å
114	R	96.3	Very high	96.5	Very high	160 Å²	160	61.1 Å²	61.1	60%	0.604	31%	0.305	S	S	*	.			trans	-108.6	146.5	172.1	-64.4	-172.5	-177.7	-174.5	3.5	110	P121 Y122	R114-P121 WeakPolarHBondContact O-CA 3.5Å; R114-Y122 HydrophobicContact CB-CD2 4.17Å; R114-Y122 PolarHBondContact O-N 3Å
115	Y	95.3	Very high	96.4	Very high	112 Å²	112	64.4 Å²	64.4	44%	0.439	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.9	-175.6	-69.6	-96.2	0	0	0	110.7	I113 I120 P121 Y122	I113-Y115 HydrophobicContact CB-CE2 4.21Å; I113-Y115 HydrophobicContact CG2-CD2 4.28Å; I113-Y115 HydrophobicContact CG2-CE2 3.74Å; Y115-I120 CarbonylContact C-O 3.59Å; Y115-I120 WeakPolarHBondContact CA-O 3.45Å; Y115-P121 HydrophobicContact CD1-CB 4.35Å; Y115-P121 HydrophobicContact CE1-CB 4.27Å; Y115-Y122 WeakPolarHBondContact O-CE2 3.32Å
116	M	96.9	Very high	96.4	Very high	116 Å²	116	64.6 Å²	64.6	57%	0.571	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	-42.9	174	-179.1	-172	-68.7	0	0	110.8	I120 Y122	M116-I120 PolarHBondContact N-O 3.43Å; M116-Y122 HydrophobicContact CB-CD1 4.26Å; M116-Y122 HydrophobicContact CB-CD2 4.16Å; M116-Y122 HydrophobicContact CB-CE1 3.87Å; M116-Y122 HydrophobicContact CB-CE2 3.78Å; M116-Y122 HydrophobicContact CB-CG 4.38Å; M116-Y122 HydrophobicContact CE-CD1 3.92Å; M116-Y122 HydrophobicContact CE-CE1 3.59Å; M116-Y122 HydrophobicContact CG-CE1 3.97Å; M116-Y122 HydrophobicContact CG-CE2 4.43Å
117	T	95.7	Very high	96.4	Very high	72 Å²	72	65.7 Å²	65.7	44%	0.442	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	169	170	-176.4	0	0	0	0	107.7	D119 I120	T117-D119 VanDerWaalsContact C-N 3.33Å; T117-D119 PolarHBondContact O-N 3.26Å; T117-I120 HydrophobicContact CG2-CB 3.76Å; T117-I120 HydrophobicContact CG2-CD1 3.67Å; T117-I120 HydrophobicContact CG2-CG1 3.76Å; T117-I120 PolarHBondContact O-N 3.35Å
118	N	93.7	Very high	96.4	Very high	137 Å²	137	65.9 Å²	65.9	73%	0.733	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-15.6	-66.8	-172.5	-62.2	-14.2	0	0	0	115.6
119	D	91.9	Very high	96.4	Very high	144 Å²	144	66.3 Å²	66.3	77%	0.77	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	12.6	-174.3	-51.9	-54.4	0	0	0	113.8	T117 P121	T117-D119 VanDerWaalsContact C-N 3.33Å; T117-D119 PolarHBondContact O-N 3.26Å; D119-P121 WeakPolarHBondContact O-CD 3.23Å
120	I	94.6	Very high	96.4	Very high	99 Å²	99	66.2 Å²	66.2	51%	0.508	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	107.7	178.5	-56.4	-178.2	0	0	0	109	Y115 M116 T117	Y115-I120 CarbonylContact C-O 3.59Å; Y115-I120 WeakPolarHBondContact CA-O 3.45Å; M116-I120 PolarHBondContact N-O 3.43Å; T117-I120 HydrophobicContact CG2-CB 3.76Å; T117-I120 HydrophobicContact CG2-CD1 3.67Å; T117-I120 HydrophobicContact CG2-CG1 3.76Å; T117-I120 PolarHBondContact O-N 3.35Å
121	P	95.5	Very high	96.4	Very high	67 Å²	67	66.5 Å²	66.5	44%	0.435	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	149.4	-178.9	31.1	-34.9	0	0	0	111.7	I113 R114 Y115 D119	I113-P121 HydrophobicContact CG2-CB 3.79Å; R114-P121 WeakPolarHBondContact O-CA 3.5Å; Y115-P121 HydrophobicContact CD1-CB 4.35Å; Y115-P121 HydrophobicContact CE1-CB 4.27Å; D119-P121 WeakPolarHBondContact O-CD 3.23Å
122	Y	96.7	Very high	96.4	Very high	116 Å²	116	65 Å²	65	46%	0.455	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-69.6	156.4	157.9	-74.1	-74.4	0	0	0	109.8	R114 Y115 M116 F124	R114-Y122 HydrophobicContact CB-CD2 4.17Å; R114-Y122 PolarHBondContact O-N 3Å; Y115-Y122 WeakPolarHBondContact O-CE2 3.32Å; M116-Y122 HydrophobicContact CB-CD1 4.26Å; M116-Y122 HydrophobicContact CB-CD2 4.16Å; M116-Y122 HydrophobicContact CB-CE1 3.87Å; M116-Y122 HydrophobicContact CB-CE2 3.78Å; M116-Y122 HydrophobicContact CB-CG 4.38Å; M116-Y122 HydrophobicContact CE-CD1 3.92Å; M116-Y122 HydrophobicContact CE-CE1 3.59Å; M116-Y122 HydrophobicContact CG-CE1 3.97Å; M116-Y122 HydrophobicContact CG-CE2 4.43Å; Y122-F124 PolarHBondContact O-N 3.48Å
123	P	94.6	Very high	96.5	Very high	95 Å²	95	63.6 Å²	63.6	62%	0.617	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-49.9	130.3	163.4	-25.5	35.1	0	0	0	110.3	H125 F296	P123-H125 PolarHBondContact O-N 3.32Å; P123-F296 HydrophobicContact CB-CE1 3.87Å; P123-F296 HydrophobicContact CB-CZ 4.35Å
124	F	95.6	Very high	96.6	Very high	56 Å²	56	62.1 Å²	62.1	25%	0.246	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-70.4	132.8	-177.4	177.9	-105.7	0	0	0	110.5	H111 Y122 Q126 L137 P139	H111-F124 HydrophobicContact CB-CE2 3.94Å; H111-F124 HydrophobicContact CB-CZ 4.26Å; Y122-F124 PolarHBondContact O-N 3.48Å; F124-Q126 HydrophobicContact CE1-CB 4.11Å; F124-Q126 HydrophobicContact CZ-CB 4.36Å; F124-L137 VanDerWaalsContact CD1-O 3.3Å; F124-L137 WeakPolarHBondContact CD1-O 3.46Å; F124-L137 WeakPolarHBondContact CE1-O 3.37Å; F124-P139 HydrophobicContact CD2-CB 4.16Å; F124-P139 HydrophobicContact CE2-CB 3.61Å; F124-P139 HydrophobicContact CZ-CB 3.93Å
125	H	96.2	Very high	96.6	Very high	70 Å²	70	54.5 Å²	54.5	32%	0.324	28%	0.279	S	S	.	.			trans	-132	130.4	172	-173.5	-75.6	0	0	0	109.5	H111 P123 Q128 E334	H111-H125 PolarHBondContact ND1-O 2.98Å; P123-H125 PolarHBondContact O-N 3.32Å; H125-Q128 PolarHBondContact CE1-NE2 3.03Å; H125-Q128 PolarHBondContact NE2-NE2 3.14Å; H125-E334 IonicContact CD2-OE2 3.84Å; H125-E334 PolarHBondContact CD2-OE2 3.38Å; H125-E334 VanDerWaalsContact CD2-OE2 3.26Å; H125-E334 IonicContact NE2-OE2 3.59Å; H125-E334 PolarHBondContact NE2-OE2 3.19Å
126	Q	97.8	Very high	96.8	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.019	26%	0.258	C	S	.	.			trans	-78.1	164.3	-169.5	-172.5	56.9	-81.2	0	0	112.4	S110 H111 F124 F130 L131 I136 L137 E138	S110-Q126 VanDerWaalsContact CA-OE1 3.23Å; H111-Q126 PolarHBondContact CE1-O 2.96Å; H111-Q126 PolarHBondContact ND1-O 3.22Å; F124-Q126 HydrophobicContact CE1-CB 4.11Å; F124-Q126 HydrophobicContact CZ-CB 4.36Å; Q126-F130 HydrophobicContact CG-CD1 3.92Å; Q126-L131 HydrophobicContact CB-CB 4.26Å; Q126-L131 HydrophobicContact CB-CD2 4.12Å; Q126-L131 HydrophobicContact CG-CB 3.74Å; Q126-L131 HydrophobicContact CG-CD1 4.25Å; Q126-L131 HydrophobicContact CG-CD2 4.45Å; Q126-L131 HydrophobicContact CG-CG 4.37Å; Q126-I136 WeakPolarHBondContact CG-O 3.23Å; Q126-I136 PolarHBondContact NE2-O 2.9Å; Q126-L137 HydrophobicContact CB-CD2 4.37Å; Q126-E138 PolarHBondContact NE2-O 3.43Å
127	N	98	Very high	96.7	Very high	23 Å²	23	46.4 Å²	46.4	12%	0.123	25%	0.245	C	C	.	.			trans	-71.1	122.6	164	178.1	-95.4	0	0	0	110.1	H111 D129 F130 L131	H111-N127 PolarHBondContact ND1-N 2.85Å; N127-D129 VanDerWaalsContact C-N 3.34Å; N127-D129 PolarHBondContact O-N 3.11Å; N127-D129 PolarHBondContact OD1-N 3.48Å; N127-F130 HydrophobicContact CB-CB 4.01Å; N127-F130 PolarHBondContact O-N 3.06Å; N127-F130 VanDerWaalsContact O-N 3.17Å; N127-F130 PolarHBondContact OD1-N 3.34Å; N127-L131 WeakPolarHBondContact O-CB 3.43Å; N127-L131 PolarHBondContact O-N 3.33Å
128	Q	97.8	Very high	96.7	Very high	7 Å²	7	43 Å²	43	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-66.4	-29.9	-172.3	-58.6	-55.5	28.5	0	0	114.8	H125 L131 Y132 M428 D429	H125-Q128 PolarHBondContact CE1-NE2 3.03Å; H125-Q128 PolarHBondContact NE2-NE2 3.14Å; Q128-L131 VanDerWaalsContact OE1-CD2 3.24Å; Q128-Y132 WeakPolarHBondContact O-CB 3.23Å; Q128-Y132 PolarHBondContact O-N 3.01Å; Q128-M428 HydrophobicContact CB-CB 4.15Å; Q128-M428 HydrophobicContact CB-CE 4.3Å; Q128-M428 HydrophobicContact CG-CB 4.06Å; Q128-M428 PolarHBondContact NE2-O 2.89Å; Q128-D429 WeakPolarHBondContact CG-OD1 3.4Å; Q128-D429 WeakPolarHBondContact CG-OD2 3.46Å
129	D	98.3	Very high	96.8	Very high	16 Å²	16	36.7 Å²	36.7	9%	0.086	19%	0.19	C	C	.	.	H	α-helix	trans	-69.9	-41.7	174.2	-64.7	-35	0	0	0	111.6	V108 N127 L133 H240 R243	V108-D129 HydrophobicContact CG1-CB 4.3Å; N127-D129 VanDerWaalsContact C-N 3.34Å; N127-D129 PolarHBondContact O-N 3.11Å; N127-D129 PolarHBondContact OD1-N 3.48Å; D129-L133 WeakPolarHBondContact O-CG 3.5Å; D129-L133 PolarHBondContact O-N 3.35Å; D129-H240 IonicContact OD1-CD2 3.64Å; D129-H240 IonicContact OD1-NE2 3.98Å; D129-H240 IonicContact OD2-NE2 3.57Å; D129-R243 WeakPolarHBondContact OD1-CD 3.44Å; D129-R243 IonicContact OD1-CZ 3.3Å; D129-R243 IonicContact OD1-NH1 2.69Å; D129-R243 PolarHBondContact OD1-NH1 3.36Å
130	F	98.8	Very high	97.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-46.2	173.9	179.1	-96.6	0	0	0	111.2	V108 Q126 N127 L133 T134 I136 L143 L156	V108-F130 HydrophobicContact CB-CD2 4.49Å; V108-F130 HydrophobicContact CG1-CB 3.88Å; V108-F130 HydrophobicContact CG1-CD2 4.38Å; Q126-F130 HydrophobicContact CG-CD1 3.92Å; N127-F130 HydrophobicContact CB-CB 4.01Å; N127-F130 PolarHBondContact O-N 3.06Å; N127-F130 VanDerWaalsContact O-N 3.17Å; N127-F130 PolarHBondContact OD1-N 3.34Å; F130-L133 PolarHBondContact O-N 3.21Å; F130-T134 HydrophobicContact CD2-CG2 4.21Å; F130-T134 WeakPolarHBondContact CE1-OG1 3.28Å; F130-T134 HydrophobicContact CE2-CG2 3.92Å; F130-T134 HydrophobicContact CZ-CG2 4.12Å; F130-T134 WeakPolarHBondContact O-CB 3.44Å; F130-T134 WeakPolarHBondContact O-CG2 3.42Å; F130-T134 PolarHBondContact O-N 2.97Å; F130-T134 VanDerWaalsContact O-N 3.1Å; F130-T134 PolarHBondContact O-OG1 2.89Å; F130-I136 HydrophobicContact CE1-CB 3.7Å; F130-I136 HydrophobicContact CE1-CG2 3.82Å; F130-I136 HydrophobicContact CZ-CB 4.07Å; F130-I136 HydrophobicContact CZ-CG2 4.15Å; F130-L143 HydrophobicContact CD2-CB 4.21Å; F130-L143 HydrophobicContact CE2-CB 4.02Å; F130-L156 HydrophobicContact CE2-CD1 4.45Å; F130-L156 HydrophobicContact CZ-CD1 4.27Å
131	L	98.6	Very high	97.3	Very high	6 Å²	6	27 Å²	27	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-62.4	-46	179.2	-172.7	55.4	0	0	0	111.1	F77 Q126 N127 Q128 L133 T134 G135 L137 C337 M428	F77-L131 WeakPolarHBondContact CE1-O 3.11Å; Q126-L131 HydrophobicContact CB-CB 4.26Å; Q126-L131 HydrophobicContact CB-CD2 4.12Å; Q126-L131 HydrophobicContact CG-CB 3.74Å; Q126-L131 HydrophobicContact CG-CD1 4.25Å; Q126-L131 HydrophobicContact CG-CD2 4.45Å; Q126-L131 HydrophobicContact CG-CG 4.37Å; N127-L131 WeakPolarHBondContact O-CB 3.43Å; N127-L131 PolarHBondContact O-N 3.33Å; Q128-L131 VanDerWaalsContact OE1-CD2 3.24Å; L131-L133 PolarHBondContact O-N 3.38Å; L131-T134 PolarHBondContact O-N 3Å; L131-G135 PolarHBondContact O-N 3.29Å; L131-L137 HydrophobicContact CD1-CD2 3.63Å; L131-L137 HydrophobicContact CD1-CG 4.12Å; L131-L137 HydrophobicContact CD2-CD2 4.08Å; L131-C337 HydrophobicContact CD2-CB 3.64Å; L131-C337 WeakPolarHBondContact CD2-SG 3.45Å; L131-M428 HydrophobicContact CB-CE 3.95Å; L131-M428 HydrophobicContact CD2-CE 3.78Å; L131-M428 HydrophobicContact CG-CE 3.82Å
132	Y	98.8	Very high	97.4	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-55.4	-37.9	178.6	-178.8	-104	0	0	0	112.5	F77 R80 Q128 L242 R243 M428	F77-Y132 WeakPolarHBondContact CD1-O 3.31Å; F77-Y132 WeakPolarHBondContact CE1-O 3.27Å; R80-Y132 HydrophobicContact CB-CD1 4.43Å; R80-Y132 HydrophobicContact CB-CE1 3.91Å; R80-Y132 WeakPolarHBondContact CD-O 3.33Å; R80-Y132 HydrophobicContact CG-CD1 4.46Å; R80-Y132 HydrophobicContact CG-CE1 3.78Å; R80-Y132 HydrophobicContact CG-CE2 4.29Å; R80-Y132 PolarHBondContact NH1-O 2.99Å; Q128-Y132 WeakPolarHBondContact O-CB 3.23Å; Q128-Y132 PolarHBondContact O-N 3.01Å; Y132-L242 HydrophobicContact CE1-CB 3.91Å; Y132-L242 PolarHBondContact OH-O 2.92Å; Y132-R243 HydrophobicContact CD1-CG 3.9Å; Y132-R243 HydrophobicContact CD2-CG 3.71Å; Y132-R243 HydrophobicContact CE1-CG 4.06Å; Y132-R243 HydrophobicContact CE2-CG 3.86Å; Y132-R243 HydrophobicContact CG-CG 3.72Å; Y132-M428 HydrophobicContact CD2-SD 3.72Å; Y132-M428 HydrophobicContact CG-SD 4.24Å
133	L	98.7	Very high	97.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-89.6	-16.2	-176.3	-64.6	171.3	0	0	0	114.5	R80 R81 L84 V108 D129 F130 L131 L143 T239	R80-L133 HydrophobicContact CB-CD2 4.27Å; R81-L133 HydrophobicContact CG-CB 4.38Å; R81-L133 HydrophobicContact CG-CD2 4.32Å; R81-L133 PolarHBondContact NH1-O 3Å; L84-L133 HydrophobicContact CD2-CD1 3.74Å; L84-L133 HydrophobicContact CD2-CD2 3.95Å; V108-L133 HydrophobicContact CG2-CD1 3.89Å; D129-L133 WeakPolarHBondContact O-CG 3.5Å; D129-L133 PolarHBondContact O-N 3.35Å; F130-L133 PolarHBondContact O-N 3.21Å; L131-L133 PolarHBondContact O-N 3.38Å; L133-L143 HydrophobicContact CB-CD2 3.57Å; L133-L143 HydrophobicContact CD1-CD2 4.07Å; L133-L143 HydrophobicContact CG-CD2 4.44Å; L133-T239 HydrophobicContact CD1-CG2 4.27Å
134	T	98.5	Very high	97.7	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.012	7%	0.068	C	C	.	.	H	α-helix	trans	-127.9	-32.8	-169.9	65.9	0	0	0	0	115.3	F130 L131 I136 L143 L156	F130-T134 HydrophobicContact CD2-CG2 4.21Å; F130-T134 WeakPolarHBondContact CE1-OG1 3.28Å; F130-T134 HydrophobicContact CE2-CG2 3.92Å; F130-T134 HydrophobicContact CZ-CG2 4.12Å; F130-T134 WeakPolarHBondContact O-CB 3.44Å; F130-T134 WeakPolarHBondContact O-CG2 3.42Å; F130-T134 PolarHBondContact O-N 2.97Å; F130-T134 VanDerWaalsContact O-N 3.1Å; F130-T134 PolarHBondContact O-OG1 2.89Å; L131-T134 PolarHBondContact O-N 3Å; T134-I136 PolarHBondContact O-N 3.19Å; T134-I136 PolarHBondContact OG1-N 3.21Å; T134-I136 VanDerWaalsContact OG1-N 3.1Å; T134-L143 HydrophobicContact CG2-CB 3.81Å; T134-L143 HydrophobicContact CG2-CD1 4.15Å; T134-L143 HydrophobicContact CG2-CD2 3.75Å; T134-L143 HydrophobicContact CG2-CG 4.1Å; T134-L156 HydrophobicContact CG2-CD1 4.04Å
135	G	97.8	Very high	97.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.057	C	C	.	.			trans	70.1	8.4	-167.8	0	0	0	0	0	114.2	Q53 T69 F77 L131	Q53-G135 PolarHBondContact NE2-O 3.12Å; T69-G135 WeakPolarHBondContact CG2-O 3.32Å; F77-G135 VanDerWaalsContact CE1-CA 3.5Å; L131-G135 PolarHBondContact O-N 3.29Å
136	I	97.8	Very high	97.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.			trans	-82.6	125.6	-178.5	-67.7	-66.6	0	0	0	111	Q126 F130 T134 E138 L156 A178 T182	Q126-I136 WeakPolarHBondContact CG-O 3.23Å; Q126-I136 PolarHBondContact NE2-O 2.9Å; F130-I136 HydrophobicContact CE1-CB 3.7Å; F130-I136 HydrophobicContact CE1-CG2 3.82Å; F130-I136 HydrophobicContact CZ-CB 4.07Å; F130-I136 HydrophobicContact CZ-CG2 4.15Å; T134-I136 PolarHBondContact O-N 3.19Å; T134-I136 PolarHBondContact OG1-N 3.21Å; T134-I136 VanDerWaalsContact OG1-N 3.1Å; I136-E138 HydrophobicContact CG2-CB 3.99Å; I136-L156 HydrophobicContact CD1-CD2 4.21Å; I136-L156 HydrophobicContact CG1-CD1 4.35Å; I136-L156 HydrophobicContact CG1-CD2 3.99Å; I136-A178 HydrophobicContact CD1-CB 4.47Å; I136-T182 HydrophobicContact CD1-CG2 3.4Å; I136-T182 HydrophobicContact CG1-CG2 3.77Å
137	L	96.3	Very high	97.7	Very high	59 Å²	59	8.3 Å²	8.3	31%	0.309	5%	0.046	S	C	.	.			trans	-104.5	16	178.1	-67.6	170	0	0	0	112.6	Q53 F124 Q126 L131	Q53-L137 HydrophobicContact CB-CB 4.02Å; Q53-L137 HydrophobicContact CB-CD1 4.38Å; F124-L137 VanDerWaalsContact CD1-O 3.3Å; F124-L137 WeakPolarHBondContact CD1-O 3.46Å; F124-L137 WeakPolarHBondContact CE1-O 3.37Å; Q126-L137 HydrophobicContact CB-CD2 4.37Å; L131-L137 HydrophobicContact CD1-CD2 3.63Å; L131-L137 HydrophobicContact CD1-CG 4.12Å; L131-L137 HydrophobicContact CD2-CD2 4.08Å
138	E	94.8	Very high	97.4	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	7%	0.072	C	C	.	.			trans	-94.3	143.1	173.5	-68.4	-179	-135.4	0	0	111.5	G52 Q126 I136 R172 S173	G52-E138 WeakPolarHBondContact CA-OE1 3.41Å; G52-E138 PolarHBondContact N-OE1 3.39Å; Q126-E138 PolarHBondContact NE2-O 3.43Å; I136-E138 HydrophobicContact CG2-CB 3.99Å; E138-R172 VanDerWaalsContact OE2-CD 3.27Å; E138-R172 WeakPolarHBondContact OE2-CD 3.47Å; E138-S173 WeakPolarHBondContact OE1-CB 3.29Å; E138-S173 PolarHBondContact OE1-N 3.26Å; E138-S173 PolarHBondContact OE1-OG 3.07Å; E138-S173 PolarHBondContact OE2-N 2.91Å
139	P	96.8	Very high	96.9	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.019	8%	0.077	C	C	.	.	S	Bend	trans	-71.5	179.7	173.7	33.2	-36.5	0	0	0	111.4	H111 I113 F124 S141 P159 R172	H111-P139 VanDerWaalsContact O-CA 3.3Å; H111-P139 WeakPolarHBondContact O-CA 3.4Å; I113-P139 HydrophobicContact CD1-CG 4.08Å; I113-P139 HydrophobicContact CG1-CB 3.9Å; I113-P139 HydrophobicContact CG1-CG 3.81Å; F124-P139 HydrophobicContact CD2-CB 4.16Å; F124-P139 HydrophobicContact CE2-CB 3.61Å; F124-P139 HydrophobicContact CZ-CB 3.93Å; P139-S141 PolarHBondContact O-N 3.16Å; P139-S141 PolarHBondContact O-OG 2.94Å; P139-P159 VanDerWaalsContact O-CG 3.31Å; P139-P159 WeakPolarHBondContact O-CG 3.28Å; P139-R172 VanDerWaalsContact CD-NH1 3.27Å
140	D	97.2	Very high	96.6	Very high	41 Å²	41	14.5 Å²	14.5	22%	0.219	8%	0.083	C	C	.	.	S	Bend	trans	49.2	41.4	169.3	-48.4	-29.9	0	0	0	113.6	S110 H111 P159 T190 H214	S110-D140 PolarHBondContact OG-N 2.98Å; H111-D140 PolarHBondContact O-N 3.34Å; D140-P159 HydrophobicContact CB-CG 4.05Å; D140-T190 WeakPolarHBondContact O-CB 3.46Å; D140-T190 VanDerWaalsContact O-CG2 3.23Å; D140-T190 WeakPolarHBondContact O-CG2 3.42Å; D140-T190 PolarHBondContact O-OG1 2.89Å; D140-H214 IonicContact OD1-CE1 3.05Å; D140-H214 IonicContact OD1-NE2 3.88Å; D140-H214 PolarHBondContact OD1-NE2 2.68Å
141	S	98.4	Very high	96.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.083	C	C	.	.			trans	-123.1	162.5	-174.8	-62.8	0	0	0	0	111.4	S110 P139 F157 P159	S110-S141 WeakPolarHBondContact CB-O 3.33Å; S110-S141 PolarHBondContact N-O 2.65Å; S110-S141 PolarHBondContact OG-N 3.14Å; S110-S141 PolarHBondContact OG-O 3.39Å; P139-S141 PolarHBondContact O-N 3.16Å; P139-S141 PolarHBondContact O-OG 2.94Å; S141-F157 CarbonylContact C-O 3.59Å; S141-F157 WeakPolarHBondContact CA-O 3.46Å; S141-F157 WeakPolarHBondContact CB-O 3.28Å; S141-P159 VanDerWaalsContact OG-CD 3.28Å; S141-P159 WeakPolarHBondContact OG-CD 3.44Å
142	A	98.7	Very high	95.9	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	146.4	176.5	0	0	0	0	0	112.5	V108 L109 F157 L193	V108-A142 CarbonylContact O-C 3.51Å; V108-A142 WeakPolarHBondContact O-CA 3.32Å; L109-A142 HydrophobicContact CD2-CB 3.73Å; A142-F157 HydrophobicContact CB-CB 4.18Å; A142-F157 HydrophobicContact CB-CD2 4.35Å; A142-F157 PolarHBondContact N-O 2.77Å; A142-F157 PolarHBondContact O-N 3.12Å; A142-L193 HydrophobicContact CB-CD1 4.18Å; A142-L193 HydrophobicContact CB-CD2 3.78Å
143	L	98.8	Very high	95.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.1	169.2	176	68.8	0	0	0	108	R81 V108 F130 L133 T134 L145 A154	R81-L143 HydrophobicContact CG-CD2 4.46Å; V108-L143 HydrophobicContact CB-CB 4.35Å; V108-L143 PolarHBondContact N-O 2.9Å; V108-L143 PolarHBondContact O-N 3.4Å; F130-L143 HydrophobicContact CD2-CB 4.21Å; F130-L143 HydrophobicContact CE2-CB 4.02Å; L133-L143 HydrophobicContact CB-CD2 3.57Å; L133-L143 HydrophobicContact CD1-CD2 4.07Å; L133-L143 HydrophobicContact CG-CD2 4.44Å; T134-L143 HydrophobicContact CG2-CB 3.81Å; T134-L143 HydrophobicContact CG2-CD1 4.15Å; T134-L143 HydrophobicContact CG2-CD2 3.75Å; T134-L143 HydrophobicContact CG2-CG 4.1Å; L143-L145 HydrophobicContact CD1-CD2 4Å; L143-L145 HydrophobicContact CD2-CD2 4.15Å; L143-L145 HydrophobicContact CD2-CG 4.48Å; L143-L145 HydrophobicContact CG-CD2 4.1Å; L143-A154 HydrophobicContact CD1-CB 4.44Å
144	V	98.6	Very high	95.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.8	170.8	169.2	0	0	0	0	108.9	L105 V106 I155 F157 L193 L197 L200	L105-V144 HydrophobicContact CD1-CG1 3.41Å; L105-V144 VanDerWaalsContact CD1-CG1 3.41Å; V106-V144 VanDerWaalsContact O-CA 3.3Å; V106-V144 WeakPolarHBondContact O-CA 3.35Å; V144-I155 HydrophobicContact CB-CB 4.29Å; V144-I155 HydrophobicContact CG1-CD1 4.38Å; V144-I155 PolarHBondContact N-O 3.07Å; V144-I155 PolarHBondContact O-N 3.41Å; V144-F157 HydrophobicContact CB-CE2 4.04Å; V144-F157 HydrophobicContact CG2-CD2 4.31Å; V144-F157 HydrophobicContact CG2-CE2 3.73Å; V144-L193 HydrophobicContact CG2-CD1 4Å; V144-L197 HydrophobicContact CG2-CD2 4.04Å; V144-L200 HydrophobicContact CG1-CD1 4Å
145	L	98.4	Very high	95.7	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.5	165.9	-46.4	178.8	0	0	0	108.9	R81 L84 L105 V106 L143 P151 Q153 A154	R81-L145 HydrophobicContact CB-CD1 4.4Å; R81-L145 HydrophobicContact CB-CD2 4.45Å; R81-L145 HydrophobicContact CG-CD2 4.33Å; L84-L145 HydrophobicContact CD2-CD1 4.02Å; L105-L145 CarbonylContact C-O 3.52Å; L105-L145 WeakPolarHBondContact CA-O 3.47Å; V106-L145 HydrophobicContact CB-CB 3.85Å; V106-L145 HydrophobicContact CB-CD1 4.4Å; V106-L145 HydrophobicContact CB-CG 4.19Å; V106-L145 HydrophobicContact CG2-CB 4.03Å; V106-L145 HydrophobicContact CG2-CD1 4.43Å; V106-L145 PolarHBondContact N-O 3.26Å; V106-L145 PolarHBondContact O-N 2.97Å; L143-L145 HydrophobicContact CD1-CD2 4Å; L143-L145 HydrophobicContact CD2-CD2 4.15Å; L143-L145 HydrophobicContact CD2-CG 4.48Å; L143-L145 HydrophobicContact CG-CD2 4.1Å; L145-P151 HydrophobicContact CB-CB 4.1Å; L145-P151 WeakPolarHBondContact CB-O 3.19Å; L145-Q153 CarbonylContact C-O 3.55Å; L145-Q153 VanDerWaalsContact CA-O 3.32Å; L145-Q153 WeakPolarHBondContact CA-O 3.41Å; L145-A154 HydrophobicContact CD2-CB 3.77Å
146	C	96.5	Very high	95.7	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.02	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	154.1	179.4	68	0	0	0	0	113.1	H104 L105 Q153 L200	H104-C146 VanDerWaalsContact O-CA 3.3Å; H104-C146 WeakPolarHBondContact O-CA 3.47Å; L105-C146 HydrophobicContact CD1-CB 4.36Å; C146-Q153 PolarHBondContact N-O 2.91Å; C146-Q153 VanDerWaalsContact O-CB 3.26Å; C146-Q153 WeakPolarHBondContact O-CB 3.47Å; C146-Q153 PolarHBondContact O-N 3.19Å; C146-L200 HydrophobicContact CB-CD1 4.06Å; C146-L200 HydrophobicContact CB-CD2 4.43Å
147	G	94.6	Very high	95.8	Very high	9 Å²	9	24.5 Å²	24.5	9%	0.093	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.5	171.3	177.5	0	0	0	0	0	111.9	K103 H104 R150	K103-G147 CarbonylContact C-O 3.41Å; K103-G147 WeakPolarHBondContact CA-O 3.47Å; H104-G147 PolarHBondContact N-O 2.91Å; H104-G147 PolarHBondContact O-N 3.2Å; G147-R150 CarbonylContact C-O 3.6Å; G147-R150 VanDerWaalsContact CA-O 3.23Å; G147-R150 WeakPolarHBondContact CA-O 3.25Å
148	T	91.2	Very high	95.8	Very high	107 Å²	107	21.7 Å²	21.7	66%	0.656	12%	0.121	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.1	179.5	-58	0	0	0	0	109.4	S101 R150	S101-T148 WeakPolarHBondContact O-CG2 3.14Å; T148-R150 PolarHBondContact O-N 3.17Å
149	G	87.7	Confident	95.8	Very high	14 Å²	14	22.4 Å²	22.4	14%	0.144	13%	0.126	C	C	.	.	S	Bend	trans	70.1	-38.1	-171.6	0	0	0	0	0	114.4	S100 N102	S100-G149 WeakPolarHBondContact O-CA 3.48Å; N102-G149 PolarHBondContact O-N 2.84Å
150	R	90.8	Very high	95.7	Very high	55 Å²	55	29.6 Å²	29.6	21%	0.208	15%	0.153	C	C	.	.	S	Bend	trans	-137	130	176.2	-173.7	175	-178.6	-158.9	-3.3	110.9	Q82 A85 S86 E89 G147 T148 D152	Q82-R150 PolarHBondContact O-NH2 3.19Å; A85-R150 HydrophobicContact CB-CG 3.8Å; S86-R150 VanDerWaalsContact OG-CZ 3.26Å; S86-R150 PolarHBondContact OG-NE 3.19Å; S86-R150 PolarHBondContact OG-NH2 2.85Å; E89-R150 HydrophobicContact CB-CB 4.4Å; E89-R150 HydrophobicContact CB-CG 4.38Å; E89-R150 IonicContact OE2-NE 3.27Å; G147-R150 CarbonylContact C-O 3.6Å; G147-R150 VanDerWaalsContact CA-O 3.23Å; G147-R150 WeakPolarHBondContact CA-O 3.25Å; T148-R150 PolarHBondContact O-N 3.17Å; R150-D152 HydrophobicContact CG-CB 4.39Å; R150-D152 PolarHBondContact O-N 2.95Å; R150-D152 VanDerWaalsContact O-N 3.15Å
151	P	92.3	Very high	95.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	16%	0.161	C	C	.	.			trans	-86.4	74.3	178.2	34.5	-34.4	0	0	0	111.5	A85 I88 H104 V106 L145	A85-P151 HydrophobicContact CB-CG 4.15Å; A85-P151 WeakPolarHBondContact CB-O 3.49Å; I88-P151 HydrophobicContact CB-CG 4.17Å; I88-P151 HydrophobicContact CD1-CG 3.81Å; I88-P151 HydrophobicContact CG2-CG 3.89Å; H104-P151 HydrophobicContact CB-CB 4.12Å; H104-P151 HydrophobicContact CB-CG 4.2Å; V106-P151 HydrophobicContact CG2-CB 4.14Å; V106-P151 HydrophobicContact CG2-CG 3.93Å; L145-P151 HydrophobicContact CB-CB 4.1Å; L145-P151 WeakPolarHBondContact CB-O 3.19Å
152	D	91.4	Very high	95.2	Very high	99 Å²	99	35.6 Å²	35.6	53%	0.529	18%	0.177	S	C	.	.			trans	-96	-10.2	-174	60.4	-2.3	0	0	0	114.8	R150	R150-D152 HydrophobicContact CG-CB 4.39Å; R150-D152 PolarHBondContact O-N 2.95Å; R150-D152 VanDerWaalsContact O-N 3.15Å
153	Q	95.3	Very high	94.9	Very high	99 Å²	99	40.6 Å²	40.6	46%	0.463	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	114.3	176.7	-53.9	-178.4	5.8	0	0	110.9	L145 C146	L145-Q153 CarbonylContact C-O 3.55Å; L145-Q153 VanDerWaalsContact CA-O 3.32Å; L145-Q153 WeakPolarHBondContact CA-O 3.41Å; C146-Q153 PolarHBondContact N-O 2.91Å; C146-Q153 VanDerWaalsContact O-CB 3.26Å; C146-Q153 WeakPolarHBondContact O-CB 3.47Å; C146-Q153 PolarHBondContact O-N 3.19Å
154	A	97.9	Very high	94.6	Very high	21 Å²	21	43.6 Å²	43.6	17%	0.174	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.9	175.4	0	0	0	0	0	112.1	L143 L145 V184	L143-A154 HydrophobicContact CD1-CB 4.44Å; L145-A154 HydrophobicContact CD2-CB 3.77Å; A154-V184 HydrophobicContact CB-CG1 4.25Å
155	I	98.4	Very high	94.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	122	171.9	-48.1	170.3	0	0	0	107.6	V144 F157 R186 V196	V144-I155 HydrophobicContact CB-CB 4.29Å; V144-I155 HydrophobicContact CG1-CD1 4.38Å; V144-I155 PolarHBondContact N-O 3.07Å; V144-I155 PolarHBondContact O-N 3.41Å; I155-F157 HydrophobicContact CB-CE2 4.03Å; I155-F157 HydrophobicContact CB-CZ 4.49Å; I155-F157 HydrophobicContact CG2-CD2 4.33Å; I155-F157 HydrophobicContact CG2-CE1 4.49Å; I155-F157 HydrophobicContact CG2-CE2 3.52Å; I155-F157 HydrophobicContact CG2-CZ 3.62Å; I155-R186 CarbonylContact C-O 3.56Å; I155-R186 WeakPolarHBondContact CA-O 3.49Å; I155-R186 HydrophobicContact CB-CB 4.47Å; I155-R186 VanDerWaalsContact CD1-CZ 3.43Å; I155-R186 HydrophobicContact CG1-CB 4.29Å; I155-R186 HydrophobicContact CG2-CB 4.2Å; I155-V196 HydrophobicContact CD1-CG1 4.03Å
156	L	98.6	Very high	93.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	139.9	178.4	-173.5	68.4	0	0	0	110.1	F130 T134 I136 V158 A178 T182 V184 R186 V187 H188	F130-L156 HydrophobicContact CE2-CD1 4.45Å; F130-L156 HydrophobicContact CZ-CD1 4.27Å; T134-L156 HydrophobicContact CG2-CD1 4.04Å; I136-L156 HydrophobicContact CD1-CD2 4.21Å; I136-L156 HydrophobicContact CG1-CD1 4.35Å; I136-L156 HydrophobicContact CG1-CD2 3.99Å; L156-V158 HydrophobicContact CD2-CG1 4.07Å; L156-V158 HydrophobicContact CG-CG1 4.06Å; L156-A178 HydrophobicContact CD2-CB 4.11Å; L156-T182 HydrophobicContact CD2-CG2 4.07Å; L156-V184 HydrophobicContact CB-CB 4.37Å; L156-V184 HydrophobicContact CB-CG1 3.98Å; L156-R186 PolarHBondContact N-O 3.03Å; L156-V187 HydrophobicContact CB-CG1 4.38Å; L156-V187 HydrophobicContact CB-CG2 4.22Å; L156-V187 CarbonylContact O-C 3.48Å; L156-V187 VanDerWaalsContact O-CA 3.27Å; L156-V187 WeakPolarHBondContact O-CA 3.47Å; L156-H188 PolarHBondContact O-N 2.91Å
157	F	98.6	Very high	93.6	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.3	175.7	-62.3	-95.5	0	0	0	108.2	S141 A142 V144 I155 H188 L193 V196	S141-F157 CarbonylContact C-O 3.59Å; S141-F157 WeakPolarHBondContact CA-O 3.46Å; S141-F157 WeakPolarHBondContact CB-O 3.28Å; A142-F157 HydrophobicContact CB-CB 4.18Å; A142-F157 HydrophobicContact CB-CD2 4.35Å; A142-F157 PolarHBondContact N-O 2.77Å; A142-F157 PolarHBondContact O-N 3.12Å; V144-F157 HydrophobicContact CB-CE2 4.04Å; V144-F157 HydrophobicContact CG2-CD2 4.31Å; V144-F157 HydrophobicContact CG2-CE2 3.73Å; I155-F157 HydrophobicContact CB-CE2 4.03Å; I155-F157 HydrophobicContact CB-CZ 4.49Å; I155-F157 HydrophobicContact CG2-CD2 4.33Å; I155-F157 HydrophobicContact CG2-CE1 4.49Å; I155-F157 HydrophobicContact CG2-CE2 3.52Å; I155-F157 HydrophobicContact CG2-CZ 3.62Å; F157-H188 WeakPolarHBondContact CA-O 3.47Å; F157-H188 HydrophobicContact CD1-CB 3.7Å; F157-H188 HydrophobicContact CE1-CB 3.68Å; F157-L193 HydrophobicContact CD1-CB 3.93Å; F157-L193 HydrophobicContact CD1-CD1 4.22Å; F157-L193 HydrophobicContact CD2-CD1 3.74Å; F157-L193 HydrophobicContact CE1-CB 4.19Å; F157-L193 HydrophobicContact CE1-CD1 4.19Å; F157-L193 HydrophobicContact CE2-CD1 3.7Å; F157-L193 HydrophobicContact CG-CB 4.29Å; F157-L193 HydrophobicContact CG-CD1 4Å; F157-L193 HydrophobicContact CZ-CD1 3.93Å; F157-V196 HydrophobicContact CE1-CB 4.15Å; F157-V196 HydrophobicContact CE1-CG2 3.82Å; F157-V196 HydrophobicContact CZ-CB 3.72Å; F157-V196 HydrophobicContact CZ-CG1 3.9Å; F157-V196 HydrophobicContact CZ-CG2 3.76Å
158	V	97.6	Very high	93.3	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	154.1	179.3	-64.4	0	0	0	0	110.6	L156 A178 V187 H188 C189 T190	L156-V158 HydrophobicContact CD2-CG1 4.07Å; L156-V158 HydrophobicContact CG-CG1 4.06Å; V158-A178 HydrophobicContact CG1-CB 3.91Å; V158-A178 HydrophobicContact CG2-CB 4.06Å; V158-V187 HydrophobicContact CG2-CG1 3.93Å; V158-H188 PolarHBondContact N-O 2.93Å; V158-H188 VanDerWaalsContact N-O 3.07Å; V158-C189 CarbonylContact O-C 3.58Å; V158-C189 VanDerWaalsContact O-CA 3.27Å; V158-C189 WeakPolarHBondContact O-CA 3.32Å; V158-T190 PolarHBondContact O-N 3.19Å; V158-T190 PolarHBondContact O-OG1 2.93Å
159	P	95.2	Very high	93	Very high	17 Å²	17	65 Å²	65	11%	0.11	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-53.8	142.3	174.8	-28.8	35.9	0	0	0	112.2	P139 D140 S141	P139-P159 VanDerWaalsContact O-CG 3.31Å; P139-P159 WeakPolarHBondContact O-CG 3.28Å; D140-P159 HydrophobicContact CB-CG 4.05Å; S141-P159 VanDerWaalsContact OG-CD 3.28Å; S141-P159 WeakPolarHBondContact OG-CD 3.44Å
160	R	94.1	Very high	93.1	Very high	154 Å²	154	65.5 Å²	65.5	58%	0.581	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-63.5	143	169.2	-170.7	-176.7	-58.6	-156	-2.9	109.6	D162 E191	R160-D162 PolarHBondContact O-N 3.35Å; R160-E191 IonicContact CZ-OE2 3.32Å; R160-E191 IonicContact NE-OE2 3.61Å; R160-E191 PolarHBondContact NE-OE2 2.86Å; R160-E191 IonicContact NH2-OE2 3.56Å; R160-E191 PolarHBondContact NH2-OE2 2.82Å
161	R	92.4	Very high	93.2	Very high	101 Å²	101	65 Å²	65	38%	0.381	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-63	132.7	167.8	-64.6	-165.6	64	-155.4	-3.2	110.3	E166 R172	R161-E166 WeakPolarHBondContact CB-OE1 3.35Å; R161-E166 WeakPolarHBondContact CG-OE1 3.36Å; R161-E166 IonicContact CZ-OE1 2.65Å; R161-E166 IonicContact CZ-OE2 3.91Å; R161-E166 IonicContact NE-OE1 3.48Å; R161-E166 PolarHBondContact NE-OE1 3.16Å; R161-E166 IonicContact NE-OE2 2.67Å; R161-E166 IonicContact NH2-OE1 3.8Å; R161-E166 PolarHBondContact NH2-OE1 3.18Å; R161-E166 IonicContact NH2-OE2 2.83Å; R161-E166 PolarHBondContact NH2-OE2 3.17Å; R161-R172 HydrophobicContact CG-CB 4.23Å
162	D	92.9	Very high	93.2	Very high	65 Å²	65	66.4 Å²	66.4	35%	0.348	33%	0.331	S	S	.	.			trans	-138.2	105.1	177.9	178.9	-11.1	0	0	0	108.2	R160 A164 R165 E166	R160-D162 PolarHBondContact O-N 3.35Å; D162-A164 PolarHBondContact O-N 3.29Å; D162-A164 VanDerWaalsContact O-N 3.14Å; D162-A164 WeakPolarHBondContact OD1-CB 3.37Å; D162-A164 PolarHBondContact OD1-N 3.21Å; D162-R165 HydrophobicContact CB-CB 4.15Å; D162-R165 HydrophobicContact CB-CG 4.37Å; D162-R165 PolarHBondContact O-N 3.4Å; D162-E166 WeakPolarHBondContact O-CB 3.14Å; D162-E166 WeakPolarHBondContact O-CG 3.2Å; D162-E166 PolarHBondContact O-N 2.85Å
163	P	92.3	Very high	93.3	Very high	105 Å²	105	61.7 Å²	61.7	68%	0.682	31%	0.306	S	S	*	.	H	α-helix	trans	-55.9	-31	-178.8	-26.7	35.3	0	0	0	114	L167	P163-L167 PolarHBondContact O-N 3.39Å
164	A	92.1	Very high	93.1	Very high	64 Å²	64	57.1 Å²	57.1	53%	0.529	29%	0.286	S	S	.	.	H	α-helix	trans	-69.8	-39.8	178.9	0	0	0	0	0	111	D162	D162-A164 PolarHBondContact O-N 3.29Å; D162-A164 VanDerWaalsContact O-N 3.14Å; D162-A164 WeakPolarHBondContact OD1-CB 3.37Å; D162-A164 PolarHBondContact OD1-N 3.21Å
165	R	88.6	Confident	92.9	Very high	114 Å²	114	60.5 Å²	60.5	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-77.7	-35.7	174.7	-68.7	-166.1	68.2	179	-0.3	113.1	D162 L167 W168 D169	D162-R165 HydrophobicContact CB-CB 4.15Å; D162-R165 HydrophobicContact CB-CG 4.37Å; D162-R165 PolarHBondContact O-N 3.4Å; R165-L167 PolarHBondContact O-N 2.81Å; R165-W168 PolarHBondContact O-N 3.3Å; R165-D169 IonicContact CZ-OD2 3.96Å; R165-D169 IonicContact NE-OD2 2.81Å; R165-D169 PolarHBondContact NE-OD2 2.92Å; R165-D169 IonicContact NH2-OD2 3.72Å; R165-D169 PolarHBondContact NH2-OD2 3.32Å; R165-D169 PolarHBondContact O-N 3.27Å
166	E	92.6	Very high	92.6	Very high	31 Å²	31	64.3 Å²	64.3	15%	0.145	32%	0.317	C	S	.	.	H	α-helix	trans	-62.7	-25.4	178.3	-72.3	-177.4	178.6	0	0	112.3	R161 D162 W168 G170 R172	R161-E166 WeakPolarHBondContact CB-OE1 3.35Å; R161-E166 WeakPolarHBondContact CG-OE1 3.36Å; R161-E166 IonicContact CZ-OE1 2.65Å; R161-E166 IonicContact CZ-OE2 3.91Å; R161-E166 IonicContact NE-OE1 3.48Å; R161-E166 PolarHBondContact NE-OE1 3.16Å; R161-E166 IonicContact NE-OE2 2.67Å; R161-E166 IonicContact NH2-OE1 3.8Å; R161-E166 PolarHBondContact NH2-OE1 3.18Å; R161-E166 IonicContact NH2-OE2 2.83Å; R161-E166 PolarHBondContact NH2-OE2 3.17Å; D162-E166 WeakPolarHBondContact O-CB 3.14Å; D162-E166 WeakPolarHBondContact O-CG 3.2Å; D162-E166 PolarHBondContact O-N 2.85Å; E166-W168 VanDerWaalsContact C-N 3.27Å; E166-W168 PolarHBondContact O-N 2.95Å; E166-G170 VanDerWaalsContact CA-O 3.23Å; E166-G170 WeakPolarHBondContact CA-O 3.22Å; E166-G170 CarbonylContact O-C 3.58Å; E166-G170 VanDerWaalsContact O-CA 3.23Å; E166-G170 WeakPolarHBondContact O-CA 3.43Å; E166-G170 PolarHBondContact O-N 3.5Å; E166-G170 VanDerWaalsContact O-N 3.11Å; E166-R172 HydrophobicContact CG-CG 4.24Å; E166-R172 PolarHBondContact OE1-N 2.81Å
167	L	90.6	Very high	92.3	Very high	141 Å²	141	64.3 Å²	64.3	74%	0.738	32%	0.317	S	S	*	.	H	α-helix	trans	-61.8	-33.6	170.7	-178.7	62.8	0	0	0	112.9	P163 R165	P163-L167 PolarHBondContact O-N 3.39Å; R165-L167 PolarHBondContact O-N 2.81Å
168	W	88.3	Confident	92.2	Very high	215 Å²	215	64.3 Å²	64.3	81%	0.814	32%	0.317	S	S	*	.	H	α-helix	trans	-97.1	-48.1	-177	-62.3	98.5	0	0	0	112.4	R165 E166	R165-W168 PolarHBondContact O-N 3.3Å; E166-W168 VanDerWaalsContact C-N 3.27Å; E166-W168 PolarHBondContact O-N 2.95Å
169	D	86.6	Confident	92	Very high	69 Å²	69	64.8 Å²	64.8	37%	0.369	32%	0.32	S	S	.	.	H	α-helix	trans	-93.7	-8.9	-169.5	-61.9	-20	0	0	0	112.3	R165 R172	R165-D169 IonicContact CZ-OD2 3.96Å; R165-D169 IonicContact NE-OD2 2.81Å; R165-D169 PolarHBondContact NE-OD2 2.92Å; R165-D169 IonicContact NH2-OD2 3.72Å; R165-D169 PolarHBondContact NH2-OD2 3.32Å; R165-D169 PolarHBondContact O-N 3.27Å; D169-R172 IonicContact OD2-NH2 2.96Å
170	G	89.6	Confident	91.9	Very high	24 Å²	24	64.1 Å²	64.1	25%	0.247	32%	0.317	C	S	.	.			trans	84.9	175.3	-168.5	0	0	0	0	0	113.6	E166	E166-G170 VanDerWaalsContact CA-O 3.23Å; E166-G170 WeakPolarHBondContact CA-O 3.22Å; E166-G170 CarbonylContact O-C 3.58Å; E166-G170 VanDerWaalsContact O-CA 3.23Å; E166-G170 WeakPolarHBondContact O-CA 3.43Å; E166-G170 PolarHBondContact O-N 3.5Å; E166-G170 VanDerWaalsContact O-N 3.11Å
171	P	91.8	Very high	91.9	Very high	46 Å²	46	56.9 Å²	56.9	30%	0.299	29%	0.289	S	S	.	.			trans	-61.5	156.7	-173.2	24.9	-33.2	0	0	0	112.7	Y50 L51 G52	Y50-P171 HydrophobicContact CG-CG 4.46Å; L51-P171 WeakPolarHBondContact O-CG 3.36Å; G52-P171 WeakPolarHBondContact CA-O 3.11Å
172	R	92.7	Very high	92.1	Very high	29 Å²	29	52.1 Å²	52.1	11%	0.109	27%	0.271	C	S	.	.			trans	-117.8	148.6	169.4	-63.1	-67.3	-177.2	-157	-3.5	110	E138 P139 R161 E166 D169 G174	E138-R172 VanDerWaalsContact OE2-CD 3.27Å; E138-R172 WeakPolarHBondContact OE2-CD 3.47Å; P139-R172 VanDerWaalsContact CD-NH1 3.27Å; R161-R172 HydrophobicContact CG-CB 4.23Å; E166-R172 HydrophobicContact CG-CG 4.24Å; E166-R172 PolarHBondContact OE1-N 2.81Å; D169-R172 IonicContact OD2-NH2 2.96Å; R172-G174 VanDerWaalsContact C-N 3.31Å; R172-G174 PolarHBondContact O-N 2.76Å
173	S	93.1	Very high	92.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.264	C	S	.	.			trans	-64.1	-39.9	179.6	-65.4	0	0	0	0	111.9	R49 G52 E138 G177	R49-S173 PolarHBondContact NH2-O 2.87Å; G52-S173 PolarHBondContact N-OG 2.9Å; E138-S173 WeakPolarHBondContact OE1-CB 3.29Å; E138-S173 PolarHBondContact OE1-N 3.26Å; E138-S173 PolarHBondContact OE1-OG 3.07Å; E138-S173 PolarHBondContact OE2-N 2.91Å; S173-G177 WeakPolarHBondContact O-CA 3.29Å; S173-G177 PolarHBondContact O-N 2.88Å
174	G	92.1	Very high	92.3	Very high	4 Å²	4	45.2 Å²	45.2	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	64.3	-180	-167.3	0	0	0	0	0	112.2	R172 D176 G177 A178	R172-G174 VanDerWaalsContact C-N 3.31Å; R172-G174 PolarHBondContact O-N 2.76Å; G174-D176 PolarHBondContact O-N 2.89Å; G174-G177 PolarHBondContact O-N 3.03Å; G174-A178 VanDerWaalsContact O-CB 3.25Å; G174-A178 WeakPolarHBondContact O-CB 3.4Å; G174-A178 PolarHBondContact O-N 3.24Å
175	K	93.7	Very high	92.3	Very high	92 Å²	92	50.7 Å²	50.7	40%	0.4	25%	0.248	S	C	.	.	H	α-helix	trans	-61.2	-47.7	-173.5	-63.4	-170.3	-68.6	-175.6	0	113.3	A179 V187	K175-A179 VanDerWaalsContact O-CB 3.25Å; K175-A179 WeakPolarHBondContact O-CB 3.33Å; K175-A179 PolarHBondContact O-N 3.28Å; K175-V187 HydrophobicContact CB-CB 4.42Å; K175-V187 HydrophobicContact CB-CG1 4.2Å; K175-V187 WeakPolarHBondContact CD-O 3.43Å; K175-V187 HydrophobicContact CG-CG1 4.34Å
176	D	91.4	Very high	92.7	Very high	79 Å²	79	49.9 Å²	49.9	42%	0.422	25%	0.245	S	C	.	.	H	α-helix	trans	-69.1	-40.5	-178.7	60.9	-35.2	0	0	0	112.1	R49 G174 A180	R49-D176 IonicContact CZ-OD1 2.85Å; R49-D176 IonicContact CZ-OD2 3.89Å; R49-D176 VanDerWaalsContact CZ-OD2 3.23Å; R49-D176 IonicContact NH1-OD2 3.69Å; R49-D176 PolarHBondContact NH1-OD2 3.26Å; R49-D176 IonicContact NH2-OD1 3.86Å; R49-D176 PolarHBondContact NH2-OD1 3.29Å; R49-D176 IonicContact NH2-OD2 2.8Å; R49-D176 PolarHBondContact NH2-OD2 2.92Å; G174-D176 PolarHBondContact O-N 2.89Å; D176-A180 WeakPolarHBondContact O-CB 3.42Å; D176-A180 PolarHBondContact O-N 2.81Å
177	G	92.8	Very high	92.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.4	-45.9	175.7	0	0	0	0	0	112.3	S173 G174 A180 L181	S173-G177 WeakPolarHBondContact O-CA 3.29Å; S173-G177 PolarHBondContact O-N 2.88Å; G174-G177 PolarHBondContact O-N 3.03Å; G177-A180 PolarHBondContact O-N 3.12Å; G177-L181 VanDerWaalsContact O-CB 3.26Å; G177-L181 WeakPolarHBondContact O-CB 3.35Å; G177-L181 PolarHBondContact O-N 3.03Å
178	A	95.5	Very high	93.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.6	-39.3	179.2	0	0	0	0	0	112	I136 L156 V158 G174 L181 T182 V187	I136-A178 HydrophobicContact CD1-CB 4.47Å; L156-A178 HydrophobicContact CD2-CB 4.11Å; V158-A178 HydrophobicContact CG1-CB 3.91Å; V158-A178 HydrophobicContact CG2-CB 4.06Å; G174-A178 VanDerWaalsContact O-CB 3.25Å; G174-A178 WeakPolarHBondContact O-CB 3.4Å; G174-A178 PolarHBondContact O-N 3.24Å; A178-L181 PolarHBondContact O-N 3.24Å; A178-T182 WeakPolarHBondContact O-CB 3.31Å; A178-T182 WeakPolarHBondContact O-CG2 3.46Å; A178-T182 PolarHBondContact O-N 3.22Å; A178-T182 PolarHBondContact O-OG1 2.83Å; A178-V187 HydrophobicContact CB-CG1 4.14Å
179	A	94.8	Very high	93.6	Very high	10 Å²	10	34.9 Å²	34.9	8%	0.083	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-48.4	173.8	0	0	0	0	0	111.2	K175 L181 G183 V187	K175-A179 VanDerWaalsContact O-CB 3.25Å; K175-A179 WeakPolarHBondContact O-CB 3.33Å; K175-A179 PolarHBondContact O-N 3.28Å; A179-L181 PolarHBondContact O-N 2.94Å; A179-G183 VanDerWaalsContact O-CA 3.29Å; A179-G183 WeakPolarHBondContact O-CA 3.31Å; A179-G183 PolarHBondContact O-N 2.83Å; A179-V187 HydrophobicContact CB-CB 4.43Å; A179-V187 HydrophobicContact CB-CG2 3.67Å
180	A	92.6	Very high	94.1	Very high	4 Å²	4	32 Å²	32	3%	0.033	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-35.7	-179.5	0	0	0	0	0	113.1	Q44 V46 Q74 D176 G177	Q44-A180 HydrophobicContact CB-CB 4.06Å; V46-A180 HydrophobicContact CG2-CB 4.32Å; Q74-A180 PolarHBondContact NE2-O 3.05Å; D176-A180 WeakPolarHBondContact O-CB 3.42Å; D176-A180 PolarHBondContact O-N 2.81Å; G177-A180 PolarHBondContact O-N 3.12Å
181	L	94.7	Very high	94.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-75.4	-45.3	179.8	-176.9	63.7	0	0	0	112.2	L51 Q53 V68 Q74 G177 A178 A179	L51-L181 HydrophobicContact CD1-CB 4.14Å; L51-L181 HydrophobicContact CD1-CD2 4.11Å; Q53-L181 HydrophobicContact CG-CD2 3.59Å; V68-L181 HydrophobicContact CG1-CG 4.15Å; V68-L181 WeakPolarHBondContact CG2-O 3.36Å; Q74-L181 WeakPolarHBondContact CG-O 3.46Å; Q74-L181 PolarHBondContact NE2-O 3.39Å; G177-L181 VanDerWaalsContact O-CB 3.26Å; G177-L181 WeakPolarHBondContact O-CB 3.35Å; G177-L181 PolarHBondContact O-N 3.03Å; A178-L181 PolarHBondContact O-N 3.24Å; A179-L181 PolarHBondContact O-N 2.94Å
182	T	95.6	Very high	94.7	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-90.2	-20.6	-174.3	63.6	0	0	0	0	113.9	V68 I136 L156 A178 V184	V68-T182 HydrophobicContact CG1-CG2 4.13Å; I136-T182 HydrophobicContact CD1-CG2 3.4Å; I136-T182 HydrophobicContact CG1-CG2 3.77Å; L156-T182 HydrophobicContact CD2-CG2 4.07Å; A178-T182 WeakPolarHBondContact O-CB 3.31Å; A178-T182 WeakPolarHBondContact O-CG2 3.46Å; A178-T182 PolarHBondContact O-N 3.22Å; A178-T182 PolarHBondContact O-OG1 2.83Å; T182-V184 PolarHBondContact O-N 2.99Å; T182-V184 PolarHBondContact OG1-N 2.86Å
183	G	94.4	Very high	94.9	Very high	19 Å²	19	34.5 Å²	34.5	20%	0.196	17%	0.17	C	C	.	.			trans	76	5.6	-171.7	0	0	0	0	0	115	W41 A179 E185	W41-G183 VanDerWaalsContact CH2-CA 3.48Å; W41-G183 VanDerWaalsContact CZ2-CA 3.49Å; A179-G183 VanDerWaalsContact O-CA 3.29Å; A179-G183 WeakPolarHBondContact O-CA 3.31Å; A179-G183 PolarHBondContact O-N 2.83Å; G183-E185 PolarHBondContact O-N 3.23Å
184	V	95.6	Very high	95.1	Very high	7 Å²	7	35 Å²	35	4%	0.042	18%	0.175	C	C	.	.			trans	-75	123.7	174.7	177.8	0	0	0	0	109.3	A154 L156 T182 V187	A154-V184 HydrophobicContact CB-CG1 4.25Å; L156-V184 HydrophobicContact CB-CB 4.37Å; L156-V184 HydrophobicContact CB-CG1 3.98Å; T182-V184 PolarHBondContact O-N 2.99Å; T182-V184 PolarHBondContact OG1-N 2.86Å; V184-V187 HydrophobicContact CB-CG2 4.4Å; V184-V187 HydrophobicContact CG1-CG2 4.38Å; V184-V187 WeakPolarHBondContact O-CG2 3.45Å
185	E	90.9	Very high	95.3	Very high	178 Å²	178	40.6 Å²	40.6	83%	0.832	20%	0.203	S	C	*	.	S	Bend	trans	-71.5	-38.7	-176.3	-62.3	-174.9	166.2	0	0	113.2	G183	G183-E185 PolarHBondContact O-N 3.23Å
186	R	96.6	Very high	95.3	Very high	97 Å²	97	37 Å²	37	37%	0.366	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	96.5	-176.3	-66	176.4	63.1	-172	-1.3	110	I155 L156	I155-R186 CarbonylContact C-O 3.56Å; I155-R186 WeakPolarHBondContact CA-O 3.49Å; I155-R186 HydrophobicContact CB-CB 4.47Å; I155-R186 VanDerWaalsContact CD1-CZ 3.43Å; I155-R186 HydrophobicContact CG1-CB 4.29Å; I155-R186 HydrophobicContact CG2-CB 4.2Å; L156-R186 PolarHBondContact N-O 3.03Å
187	V	97.5	Very high	95.5	Very high	16 Å²	16	33.3 Å²	33.3	10%	0.097	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.3	175.8	-168.9	0	0	0	0	110.7	L156 V158 K175 A178 A179 V184	L156-V187 HydrophobicContact CB-CG1 4.38Å; L156-V187 HydrophobicContact CB-CG2 4.22Å; L156-V187 CarbonylContact O-C 3.48Å; L156-V187 VanDerWaalsContact O-CA 3.27Å; L156-V187 WeakPolarHBondContact O-CA 3.47Å; V158-V187 HydrophobicContact CG2-CG1 3.93Å; K175-V187 HydrophobicContact CB-CB 4.42Å; K175-V187 HydrophobicContact CB-CG1 4.2Å; K175-V187 WeakPolarHBondContact CD-O 3.43Å; K175-V187 HydrophobicContact CG-CG1 4.34Å; A178-V187 HydrophobicContact CB-CG1 4.14Å; A179-V187 HydrophobicContact CB-CB 4.43Å; A179-V187 HydrophobicContact CB-CG2 3.67Å; V184-V187 HydrophobicContact CB-CG2 4.4Å; V184-V187 HydrophobicContact CG1-CG2 4.38Å; V184-V187 WeakPolarHBondContact O-CG2 3.45Å
188	H	97.4	Very high	95.5	Very high	48 Å²	48	39.3 Å²	39.3	22%	0.222	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	166.6	178.8	-67.1	-83.8	0	0	0	111.1	L156 F157 V158 E192	L156-H188 PolarHBondContact O-N 2.91Å; F157-H188 WeakPolarHBondContact CA-O 3.47Å; F157-H188 HydrophobicContact CD1-CB 3.7Å; F157-H188 HydrophobicContact CE1-CB 3.68Å; V158-H188 PolarHBondContact N-O 2.93Å; V158-H188 VanDerWaalsContact N-O 3.07Å; H188-E192 HydrophobicContact CB-CB 4.28Å; H188-E192 IonicContact ND1-OE1 3.22Å; H188-E192 IonicContact ND1-OE2 2.82Å
189	C	97.3	Very high	95.3	Very high	8 Å²	8	43.3 Å²	43.3	5%	0.054	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	147.4	169.9	-63.1	0	0	0	0	110	V158 E191 E192	V158-C189 CarbonylContact O-C 3.58Å; V158-C189 VanDerWaalsContact O-CA 3.27Å; V158-C189 WeakPolarHBondContact O-CA 3.32Å; C189-E191 VanDerWaalsContact CB-OE2 3.25Å; C189-E191 WeakPolarHBondContact CB-OE2 3.08Å; C189-E191 PolarHBondContact O-N 3.28Å; C189-E191 VanDerWaalsContact O-N 3.13Å; C189-E192 HydrophobicContact CB-CG 4.45Å; C189-E192 PolarHBondContact N-OE2 2.88Å; C189-E192 WeakPolarHBondContact O-CB 3.46Å; C189-E192 PolarHBondContact O-N 2.97Å
190	T	97.2	Very high	95	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.055	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-54	-35	179.9	-59.6	0	0	0	0	113.2	D140 V158 E192 L193 L217	D140-T190 WeakPolarHBondContact O-CB 3.46Å; D140-T190 VanDerWaalsContact O-CG2 3.23Å; D140-T190 WeakPolarHBondContact O-CG2 3.42Å; D140-T190 PolarHBondContact O-OG1 2.89Å; V158-T190 PolarHBondContact O-N 3.19Å; V158-T190 PolarHBondContact O-OG1 2.93Å; T190-E192 PolarHBondContact O-N 2.93Å; T190-E192 VanDerWaalsContact O-N 3.1Å; T190-L193 WeakPolarHBondContact O-CB 3.44Å; T190-L193 PolarHBondContact O-N 3.14Å; T190-L217 HydrophobicContact CG2-CD1 4.13Å; T190-L217 HydrophobicContact CG2-CD2 3.43Å; T190-L217 VanDerWaalsContact CG2-CD2 3.43Å; T190-L217 HydrophobicContact CG2-CG 4.44Å
191	E	95.6	Very high	94.6	Very high	93 Å²	93	49.6 Å²	49.6	44%	0.435	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-58.1	-26.3	176.5	-49.9	87.1	-126.1	0	0	113.5	R160 C189 L193	R160-E191 IonicContact CZ-OE2 3.32Å; R160-E191 IonicContact NE-OE2 3.61Å; R160-E191 PolarHBondContact NE-OE2 2.86Å; R160-E191 IonicContact NH2-OE2 3.56Å; R160-E191 PolarHBondContact NH2-OE2 2.82Å; C189-E191 VanDerWaalsContact CB-OE2 3.25Å; C189-E191 WeakPolarHBondContact CB-OE2 3.08Å; C189-E191 PolarHBondContact O-N 3.28Å; C189-E191 VanDerWaalsContact O-N 3.13Å; E191-L193 VanDerWaalsContact C-N 3.33Å
192	E	97.3	Very high	94.1	Very high	59 Å²	59	53.3 Å²	53.3	28%	0.276	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-81.8	-10.5	-179.8	-56.5	177.1	80.9	0	0	112.7	H188 C189 T190 G194 L195 V196	H188-E192 HydrophobicContact CB-CB 4.28Å; H188-E192 IonicContact ND1-OE1 3.22Å; H188-E192 IonicContact ND1-OE2 2.82Å; C189-E192 HydrophobicContact CB-CG 4.45Å; C189-E192 PolarHBondContact N-OE2 2.88Å; C189-E192 WeakPolarHBondContact O-CB 3.46Å; C189-E192 PolarHBondContact O-N 2.97Å; T190-E192 PolarHBondContact O-N 2.93Å; T190-E192 VanDerWaalsContact O-N 3.1Å; E192-G194 VanDerWaalsContact C-N 3.34Å; E192-G194 PolarHBondContact O-N 2.94Å; E192-L195 WeakPolarHBondContact O-CB 3.37Å; E192-L195 PolarHBondContact O-N 2.93Å; E192-V196 PolarHBondContact O-N 3.38Å; E192-V196 VanDerWaalsContact O-N 3.14Å
193	L	97.9	Very high	93.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-53.6	-48.3	-175.4	177.3	60.3	0	0	0	112.1	L109 A142 V144 F157 T190 E191 L195 V196 L197 H221	L109-L193 HydrophobicContact CD2-CD2 4.42Å; A142-L193 HydrophobicContact CB-CD1 4.18Å; A142-L193 HydrophobicContact CB-CD2 3.78Å; V144-L193 HydrophobicContact CG2-CD1 4Å; F157-L193 HydrophobicContact CD1-CB 3.93Å; F157-L193 HydrophobicContact CD1-CD1 4.22Å; F157-L193 HydrophobicContact CD2-CD1 3.74Å; F157-L193 HydrophobicContact CE1-CB 4.19Å; F157-L193 HydrophobicContact CE1-CD1 4.19Å; F157-L193 HydrophobicContact CE2-CD1 3.7Å; F157-L193 HydrophobicContact CG-CB 4.29Å; F157-L193 HydrophobicContact CG-CD1 4Å; F157-L193 HydrophobicContact CZ-CD1 3.93Å; T190-L193 WeakPolarHBondContact O-CB 3.44Å; T190-L193 PolarHBondContact O-N 3.14Å; E191-L193 VanDerWaalsContact C-N 3.33Å; L193-L195 VanDerWaalsContact C-N 3.27Å; L193-L195 PolarHBondContact O-N 3.46Å; L193-V196 PolarHBondContact O-N 3.17Å; L193-L197 HydrophobicContact CD1-CD1 4Å; L193-L197 HydrophobicContact CD1-CD2 4.33Å; L193-L197 HydrophobicContact CD1-CG 3.93Å; L193-L197 HydrophobicContact CG-CD1 3.98Å; L193-L197 HydrophobicContact CG-CG 4.29Å; L193-L197 WeakPolarHBondContact O-CG 3.22Å; L193-L197 PolarHBondContact O-N 2.88Å; L193-H221 HydrophobicContact CB-CB 4.35Å; L193-H221 HydrophobicContact CD2-CB 3.78Å; L193-H221 HydrophobicContact CG-CB 3.89Å
194	G	96.8	Very high	93.9	Very high	11 Å²	11	52.8 Å²	52.8	11%	0.113	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-32	-179.8	0	0	0	0	0	113.7	E192 K198 H221	E192-G194 VanDerWaalsContact C-N 3.34Å; E192-G194 PolarHBondContact O-N 2.94Å; G194-K198 WeakPolarHBondContact O-CB 3.31Å; G194-K198 WeakPolarHBondContact O-CD 3.23Å; G194-K198 WeakPolarHBondContact O-CG 3.13Å; G194-K198 PolarHBondContact O-N 3.22Å; G194-K198 VanDerWaalsContact O-N 3.15Å; G194-H221 PolarHBondContact N-ND1 3.22Å
195	L	95.6	Very high	93.9	Very high	120 Å²	120	52.5 Å²	52.5	63%	0.628	28%	0.279	S	S	*	.	H	α-helix	trans	-71.5	-42.5	177.1	-65.2	174.2	0	0	0	111	E192 L193 K198 S199	E192-L195 WeakPolarHBondContact O-CB 3.37Å; E192-L195 PolarHBondContact O-N 2.93Å; L193-L195 VanDerWaalsContact C-N 3.27Å; L193-L195 PolarHBondContact O-N 3.46Å; L195-K198 PolarHBondContact O-N 3.49Å; L195-S199 PolarHBondContact O-N 3.35Å
196	V	94.8	Very high	94.2	Very high	18 Å²	18	44 Å²	44	11%	0.109	24%	0.239	C	C	.	.	H	α-helix	trans	-66.9	-44.9	176.8	178.8	0	0	0	0	110.9	I155 F157 E192 L193 K198 S199 L200	I155-V196 HydrophobicContact CD1-CG1 4.03Å; F157-V196 HydrophobicContact CE1-CB 4.15Å; F157-V196 HydrophobicContact CE1-CG2 3.82Å; F157-V196 HydrophobicContact CZ-CB 3.72Å; F157-V196 HydrophobicContact CZ-CG1 3.9Å; F157-V196 HydrophobicContact CZ-CG2 3.76Å; E192-V196 PolarHBondContact O-N 3.38Å; E192-V196 VanDerWaalsContact O-N 3.14Å; L193-V196 PolarHBondContact O-N 3.17Å; V196-K198 PolarHBondContact O-N 2.64Å; V196-S199 PolarHBondContact O-N 2.92Å; V196-S199 PolarHBondContact O-OG 2.65Å; V196-L200 HydrophobicContact CG1-CD1 3.97Å; V196-L200 HydrophobicContact CG1-CG 4.44Å; V196-L200 WeakPolarHBondContact O-CG 3.3Å; V196-L200 PolarHBondContact O-N 3.1Å
197	L	95.7	Very high	94.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-36.8	176.8	-67.5	-178.6	0	0	0	112	L105 I107 V144 L193 S199 L200 H221 V222 L225	L105-L197 HydrophobicContact CD1-CD2 4.35Å; L105-L197 HydrophobicContact CD2-CD2 4.13Å; I107-L197 HydrophobicContact CD1-CD1 4.28Å; I107-L197 HydrophobicContact CD1-CD2 3.79Å; I107-L197 HydrophobicContact CG1-CD2 4.11Å; V144-L197 HydrophobicContact CG2-CD2 4.04Å; L193-L197 HydrophobicContact CD1-CD1 4Å; L193-L197 HydrophobicContact CD1-CD2 4.33Å; L193-L197 HydrophobicContact CD1-CG 3.93Å; L193-L197 HydrophobicContact CG-CD1 3.98Å; L193-L197 HydrophobicContact CG-CG 4.29Å; L193-L197 WeakPolarHBondContact O-CG 3.22Å; L193-L197 PolarHBondContact O-N 2.88Å; L197-S199 PolarHBondContact O-N 3.36Å; L197-L200 PolarHBondContact O-N 3.1Å; L197-H221 HydrophobicContact CD1-CB 4.36Å; L197-H221 WeakPolarHBondContact CD1-O 3.34Å; L197-V222 HydrophobicContact CD1-CG2 4.21Å; L197-L225 HydrophobicContact CB-CD2 4.34Å; L197-L225 HydrophobicContact CD2-CD2 4.41Å
198	K	92.5	Very high	94.1	Very high	126 Å²	126	40.7 Å²	40.7	55%	0.548	23%	0.227	S	C	.	.	H	α-helix	trans	-64.1	-35.8	174.2	-76.7	170.4	-174.6	179.3	0	113.1	G194 L195 V196 L200 K201	G194-K198 WeakPolarHBondContact O-CB 3.31Å; G194-K198 WeakPolarHBondContact O-CD 3.23Å; G194-K198 WeakPolarHBondContact O-CG 3.13Å; G194-K198 PolarHBondContact O-N 3.22Å; G194-K198 VanDerWaalsContact O-N 3.15Å; L195-K198 PolarHBondContact O-N 3.49Å; V196-K198 PolarHBondContact O-N 2.64Å; K198-L200 PolarHBondContact O-N 2.95Å; K198-K201 VanDerWaalsContact O-CG 3.26Å; K198-K201 WeakPolarHBondContact O-CG 3.41Å
199	S	91.3	Very high	93.8	Very high	84 Å²	84	39.6 Å²	39.6	59%	0.587	23%	0.229	S	C	*	.	H	α-helix	trans	-75.5	-14	176.7	75.8	0	0	0	0	113.1	L195 V196 L197	L195-S199 PolarHBondContact O-N 3.35Å; V196-S199 PolarHBondContact O-N 2.92Å; V196-S199 PolarHBondContact O-OG 2.65Å; L197-S199 PolarHBondContact O-N 3.36Å
200	L	88.4	Confident	93.4	Very high	13 Å²	13	44.5 Å²	44.5	7%	0.068	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	15.7	177.2	-57.5	176.9	0	0	0	113.4	L105 V144 C146 V196 L197 K198 S203	L105-L200 HydrophobicContact CD1-CD1 3.83Å; L105-L200 HydrophobicContact CD2-CB 4.1Å; V144-L200 HydrophobicContact CG1-CD1 4Å; C146-L200 HydrophobicContact CB-CD1 4.06Å; C146-L200 HydrophobicContact CB-CD2 4.43Å; V196-L200 HydrophobicContact CG1-CD1 3.97Å; V196-L200 HydrophobicContact CG1-CG 4.44Å; V196-L200 WeakPolarHBondContact O-CG 3.3Å; V196-L200 PolarHBondContact O-N 3.1Å; L197-L200 PolarHBondContact O-N 3.1Å; K198-L200 PolarHBondContact O-N 2.95Å; L200-S203 WeakPolarHBondContact O-CB 3.38Å; L200-S203 PolarHBondContact O-OG 3.45Å
201	K	84.4	Confident	93.1	Very high	132 Å²	132	52.1 Å²	52.1	57%	0.574	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	156.1	172.7	-78.6	179	179.6	-167.3	0	112.5	K198 S203 L225	K198-K201 VanDerWaalsContact O-CG 3.26Å; K198-K201 WeakPolarHBondContact O-CG 3.41Å; K201-S203 VanDerWaalsContact C-N 3.29Å; K201-L225 HydrophobicContact CG-CD1 3.99Å
202	G	83.6	Confident	93.1	Very high	79 Å²	79	49.1 Å²	49.1	81%	0.814	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	9.3	-176.8	0	0	0	0	0	114.3
203	S	89.4	Confident	93.1	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.042	28%	0.281	C	S	.	.	S	Bend	trans	-91.5	153.3	177	-52.2	0	0	0	0	111.8	K103 L200 K201	K103-S203 WeakPolarHBondContact CD-OG 3.25Å; K103-S203 VanDerWaalsContact CG-OG 3.29Å; K103-S203 WeakPolarHBondContact CG-OG 3.43Å; K103-S203 CarbonylContact O-C 3.45Å; K103-S203 WeakPolarHBondContact O-CA 3.49Å; K103-S203 WeakPolarHBondContact O-CB 3.39Å; L200-S203 WeakPolarHBondContact O-CB 3.38Å; L200-S203 PolarHBondContact O-OG 3.45Å; K201-S203 VanDerWaalsContact C-N 3.29Å
204	T	95.2	Very high	93.1	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.025	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	122.9	159.2	-59.6	0	0	0	0	108.6	K103 H104 L105 M231 R233	K103-T204 PolarHBondContact O-N 3.18Å; H104-T204 WeakPolarHBondContact CA-O 3.45Å; L105-T204 PolarHBondContact N-O 2.8Å; T204-M231 HydrophobicContact CG2-CE 3.85Å; T204-M231 HydrophobicContact CG2-CG 4.34Å; T204-M231 WeakPolarHBondContact OG1-CE 3.43Å; T204-R233 HydrophobicContact CG2-CG 4.49Å
205	V	96.9	Very high	93.1	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.1	-174.2	179.3	0	0	0	0	110.4	L105 I107 L225 L226 P230 M231 V232 R233	L105-V205 HydrophobicContact CD2-CG2 4.27Å; L105-V205 CarbonylContact O-C 3.57Å; L105-V205 WeakPolarHBondContact O-CA 3.25Å; I107-V205 HydrophobicContact CD1-CG1 4.18Å; V205-L225 HydrophobicContact CG2-CD2 4.21Å; V205-L226 HydrophobicContact CG1-CD2 4.3Å; V205-P230 HydrophobicContact CG2-CB 3.8Å; V205-P230 HydrophobicContact CG2-CG 3.93Å; V205-M231 PolarHBondContact N-O 2.85Å; V205-V232 CarbonylContact O-C 3.42Å; V205-V232 VanDerWaalsContact O-CA 3.3Å; V205-V232 WeakPolarHBondContact O-CA 3.42Å; V205-R233 PolarHBondContact O-N 2.89Å
206	W	97.8	Very high	93.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	104.6	172	-57.3	88	0	0	0	108.5	I88 Q91 H104 L105 V106 I107 R233 L235 L238	I88-W206 HydrophobicContact CB-CZ2 4.37Å; I88-W206 HydrophobicContact CD1-CD2 4.21Å; I88-W206 HydrophobicContact CD1-CG 4.05Å; I88-W206 HydrophobicContact CG1-CD2 4.09Å; I88-W206 HydrophobicContact CG1-CE3 4.42Å; I88-W206 HydrophobicContact CG1-CG 4.44Å; I88-W206 HydrophobicContact CG1-CZ2 4.32Å; I88-W206 HydrophobicContact CG2-CD2 4.43Å; I88-W206 HydrophobicContact CG2-CZ2 3.68Å; I88-W206 VanDerWaalsContact CG2-NE1 3.34Å; Q91-W206 HydrophobicContact CB-CH2 4.04Å; Q91-W206 VanDerWaalsContact CD-CH2 3.43Å; Q91-W206 HydrophobicContact CG-CH2 3.86Å; Q91-W206 VanDerWaalsContact OE1-CH2 3.25Å; H104-W206 AromaticContact CG-NE1 3.89Å; H104-W206 AromaticContact ND1-NE1 3.26Å; H104-W206 PolarHBondContact ND1-NE1 3.14Å; L105-W206 PolarHBondContact O-N 3.15Å; V106-W206 HydrophobicContact CG2-CB 4.18Å; V106-W206 HydrophobicContact CG2-CG 4.43Å; I107-W206 PolarHBondContact N-O 3.42Å; I107-W206 VanDerWaalsContact N-O 3.11Å; W206-R233 WeakPolarHBondContact CA-O 3.38Å; W206-R233 HydrophobicContact CD2-CB 3.99Å; W206-R233 HydrophobicContact CE3-CB 3.49Å; W206-R233 VanDerWaalsContact CE3-CB 3.49Å; W206-R233 HydrophobicContact CE3-CG 4.5Å; W206-R233 HydrophobicContact CH2-CB 4.23Å; W206-R233 VanDerWaalsContact CH2-CD 3.47Å; W206-R233 HydrophobicContact CH2-CG 4.47Å; W206-R233 HydrophobicContact CZ3-CB 3.62Å; W206-R233 HydrophobicContact CZ3-CG 4.32Å; W206-L235 HydrophobicContact CB-CB 4.48Å; W206-L235 HydrophobicContact CB-CD1 4.13Å; W206-L238 HydrophobicContact CE3-CD1 4.13Å; W206-L238 HydrophobicContact CZ3-CD1 3.93Å
207	Y	97.8	Very high	93.3	Very high	11 Å²	11	47.5 Å²	47.5	4%	0.043	29%	0.29	C	S	.	.			trans	-163.8	138.7	-172.3	177.6	-115.7	0	0	0	111.9	I107 L109 H218 V222 L226 R233	I107-Y207 HydrophobicContact CB-CD2 3.96Å; I107-Y207 HydrophobicContact CB-CG 4.42Å; I107-Y207 HydrophobicContact CG2-CD2 4.12Å; I107-Y207 HydrophobicContact CG2-CE2 4.37Å; I107-Y207 WeakPolarHBondContact O-CD2 3.28Å; L109-Y207 HydrophobicContact CD1-CE2 4.2Å; L109-Y207 HydrophobicContact CG-CE2 4.32Å; Y207-H218 AromaticContact CE1-CE1 3.89Å; Y207-H218 AromaticContact CE1-ND1 3.5Å; Y207-H218 WeakPolarHBondContact CE1-ND1 3.09Å; Y207-H218 AromaticContact CZ-ND1 3.58Å; Y207-H218 PolarHBondContact OH-ND1 3.06Å; Y207-V222 HydrophobicContact CD1-CG1 3.8Å; Y207-V222 HydrophobicContact CE1-CB 4.48Å; Y207-V222 HydrophobicContact CE1-CG1 3.57Å; Y207-V222 HydrophobicContact CE2-CG1 4.47Å; Y207-V222 HydrophobicContact CG-CG1 4.34Å; Y207-L226 HydrophobicContact CD1-CD1 4.1Å; Y207-L226 HydrophobicContact CE1-CD1 4.18Å; Y207-R233 PolarHBondContact N-O 3.46Å
208	D	93.9	Very high	93.5	Very high	32 Å²	32	48.7 Å²	48.7	17%	0.171	30%	0.296	C	S	.	.			trans	-100.7	87.5	177.2	-64.9	-71.1	0	0	0	111.3	S234 L235 R236	D208-S234 WeakPolarHBondContact OD1-CA 3.36Å; D208-S234 WeakPolarHBondContact OD1-CB 3.24Å; D208-S234 PolarHBondContact OD1-OG 3.42Å; D208-L235 WeakPolarHBondContact OD2-CA 3.28Å; D208-L235 WeakPolarHBondContact OD2-CB 3.35Å; D208-L235 PolarHBondContact OD2-N 2.87Å; D208-R236 HydrophobicContact CB-CG 4.42Å; D208-R236 WeakPolarHBondContact OD2-CG 3.41Å; D208-R236 PolarHBondContact OD2-N 3.07Å
209	G	90.1	Very high	93.7	Very high	25 Å²	25	47.2 Å²	47.2	26%	0.258	29%	0.291	S	S	.	.			trans	-94.9	-4.1	-172.4	0	0	0	0	0	117.1
210	S	89.2	Confident	94	Very high	111 Å²	111	47.5 Å²	47.5	78%	0.776	29%	0.289	S	S	*	.	S	Bend	trans	-69	-35.7	-175.4	60.3	0	0	0	0	113.2
211	K	92	Very high	94.5	Very high	168 Å²	168	48.2 Å²	48.2	73%	0.73	29%	0.292	S	S	*	.	S	Bend	trans	-136.4	81.2	172.2	-68.6	-176.6	-179	179.5	0	107.7	C213	K211-C213 PolarHBondContact O-N 2.58Å
212	P	95	Very high	95.1	Very high	31 Å²	31	41.9 Å²	41.9	20%	0.201	26%	0.264	C	S	.	.			trans	-64.4	131.3	-173.5	26.9	-33.8	0	0	0	110.1	H214 H218	P212-H214 PolarHBondContact O-N 2.73Å; P212-H218 HydrophobicContact CB-CB 3.6Å; P212-H218 HydrophobicContact CG-CB 3.99Å
213	C	95.8	Very high	95.7	Very high	31 Å²	31	43.1 Å²	43.1	21%	0.209	24%	0.244	C	C	.	.	S	Bend	trans	-61.6	-22.3	176.1	60.3	0	0	0	0	112.5	L109 P112 K211	L109-C213 PolarHBondContact O-SG 2.99Å; P112-C213 WeakPolarHBondContact CD-O 3.47Å; K211-C213 PolarHBondContact O-N 2.58Å
214	H	98.1	Very high	96	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.056	26%	0.26	C	S	.	.			trans	-132.1	90.4	175	-163.6	-38.7	0	0	0	111.6	L109 S110 D140 P212 G216 L217 H218	L109-H214 HydrophobicContact CB-CB 4.13Å; L109-H214 HydrophobicContact CD1-CB 4.24Å; S110-H214 VanDerWaalsContact O-CB 3.32Å; S110-H214 WeakPolarHBondContact O-CB 3.39Å; D140-H214 IonicContact OD1-CE1 3.05Å; D140-H214 IonicContact OD1-NE2 3.88Å; D140-H214 PolarHBondContact OD1-NE2 2.68Å; P212-H214 PolarHBondContact O-N 2.73Å; H214-G216 VanDerWaalsContact C-N 3.31Å; H214-G216 PolarHBondContact ND1-N 2.65Å; H214-G216 PolarHBondContact O-N 3.11Å; H214-L217 HydrophobicContact CB-CB 4.43Å; H214-L217 PolarHBondContact ND1-N 3.29Å; H214-L217 VanDerWaalsContact ND1-N 3.15Å; H214-H218 VanDerWaalsContact O-CB 3.25Å; H214-H218 WeakPolarHBondContact O-CB 3.27Å; H214-H218 PolarHBondContact O-N 2.68Å
215	P	97.5	Very high	95.9	Very high	79 Å²	79	46 Å²	46	51%	0.513	26%	0.263	S	S	.	.	H	α-helix	trans	-56.8	-40.4	-177.9	-27.6	35.7	0	0	0	113.7	H218 Q219	P215-H218 PolarHBondContact O-N 3.3Å; P215-Q219 VanDerWaalsContact O-CB 3.27Å; P215-Q219 WeakPolarHBondContact O-CB 3.5Å; P215-Q219 PolarHBondContact O-N 3.38Å
216	G	97.6	Very high	95.8	Very high	38 Å²	38	48 Å²	48	39%	0.392	27%	0.273	S	S	.	.	H	α-helix	trans	-59.6	-59.7	178.6	0	0	0	0	0	114	H214 H218 Q219 T220	H214-G216 VanDerWaalsContact C-N 3.31Å; H214-G216 PolarHBondContact ND1-N 2.65Å; H214-G216 PolarHBondContact O-N 3.11Å; G216-H218 VanDerWaalsContact C-N 3.3Å; G216-H218 PolarHBondContact O-N 3.44Å; G216-Q219 PolarHBondContact O-N 3.47Å; G216-T220 WeakPolarHBondContact O-CB 3.33Å; G216-T220 PolarHBondContact O-N 2.84Å; G216-T220 PolarHBondContact O-OG1 3.27Å; G216-T220 VanDerWaalsContact O-OG1 3.06Å
217	L	98	Very high	95.6	Very high	14 Å²	14	54.1 Å²	54.1	7%	0.073	30%	0.301	C	S	.	.	H	α-helix	trans	-63.1	-36.4	177.5	-66.3	-176.7	0	0	0	112.7	L109 T190 H214 H221 V222	L109-L217 HydrophobicContact CD1-CB 4.25Å; L109-L217 HydrophobicContact CD2-CB 4.44Å; T190-L217 HydrophobicContact CG2-CD1 4.13Å; T190-L217 HydrophobicContact CG2-CD2 3.43Å; T190-L217 VanDerWaalsContact CG2-CD2 3.43Å; T190-L217 HydrophobicContact CG2-CG 4.44Å; H214-L217 HydrophobicContact CB-CB 4.43Å; H214-L217 PolarHBondContact ND1-N 3.29Å; H214-L217 VanDerWaalsContact ND1-N 3.15Å; L217-H221 WeakPolarHBondContact O-CB 3.44Å; L217-H221 PolarHBondContact O-N 3.45Å; L217-V222 PolarHBondContact O-N 2.89Å
218	H	98.1	Very high	95.2	Very high	26 Å²	26	56.7 Å²	56.7	12%	0.12	33%	0.331	C	S	.	.	I	π-helix	trans	-56.7	-55.7	173.5	171.5	83.1	0	0	0	111	L109 Y207 P212 H214 P215 G216 T220 V222 R223	L109-H218 HydrophobicContact CD1-CB 4.26Å; Y207-H218 AromaticContact CE1-CE1 3.89Å; Y207-H218 AromaticContact CE1-ND1 3.5Å; Y207-H218 WeakPolarHBondContact CE1-ND1 3.09Å; Y207-H218 AromaticContact CZ-ND1 3.58Å; Y207-H218 PolarHBondContact OH-ND1 3.06Å; P212-H218 HydrophobicContact CB-CB 3.6Å; P212-H218 HydrophobicContact CG-CB 3.99Å; H214-H218 VanDerWaalsContact O-CB 3.25Å; H214-H218 WeakPolarHBondContact O-CB 3.27Å; H214-H218 PolarHBondContact O-N 2.68Å; P215-H218 PolarHBondContact O-N 3.3Å; G216-H218 VanDerWaalsContact C-N 3.3Å; G216-H218 PolarHBondContact O-N 3.44Å; H218-T220 PolarHBondContact O-N 3.09Å; H218-V222 PolarHBondContact O-N 2.87Å; H218-R223 WeakPolarHBondContact O-CB 3.25Å; H218-R223 PolarHBondContact O-N 3.02Å
219	Q	97.8	Very high	94.9	Very high	95 Å²	95	58.2 Å²	58.2	44%	0.444	36%	0.355	S	S	.	.	I	π-helix	trans	-63.5	-41.4	-176.2	-177.9	60.6	38.4	0	0	111.9	P215 G216	P215-Q219 VanDerWaalsContact O-CB 3.27Å; P215-Q219 WeakPolarHBondContact O-CB 3.5Å; P215-Q219 PolarHBondContact O-N 3.38Å; G216-Q219 PolarHBondContact O-N 3.47Å
220	T	97.7	Very high	95	Very high	89 Å²	89	58.6 Å²	58.6	55%	0.546	35%	0.352	S	S	.	.	I	π-helix	trans	-78.2	-39.5	-174.8	-56.7	0	0	0	0	113	G216 H218	G216-T220 WeakPolarHBondContact O-CB 3.33Å; G216-T220 PolarHBondContact O-N 2.84Å; G216-T220 PolarHBondContact O-OG1 3.27Å; G216-T220 VanDerWaalsContact O-OG1 3.06Å; H218-T220 PolarHBondContact O-N 3.09Å
221	H	97.4	Very high	95.1	Very high	28 Å²	28	57 Å²	57	13%	0.13	33%	0.334	C	S	.	.	I	π-helix	trans	-117.4	-39.9	-168.2	-57.3	-65.7	0	0	0	114.2	L193 G194 L197 L217	L193-H221 HydrophobicContact CB-CB 4.35Å; L193-H221 HydrophobicContact CD2-CB 3.78Å; L193-H221 HydrophobicContact CG-CB 3.89Å; G194-H221 PolarHBondContact N-ND1 3.22Å; L197-H221 HydrophobicContact CD1-CB 4.36Å; L197-H221 WeakPolarHBondContact CD1-O 3.34Å; L217-H221 WeakPolarHBondContact O-CB 3.44Å; L217-H221 PolarHBondContact O-N 3.45Å
222	V	97.1	Very high	95.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	32%	0.319	C	S	.	.	I	π-helix	trans	-87.6	-45.2	-172.9	-173.8	0	0	0	0	111.6	I107 L109 L197 Y207 L217 H218 L225 L226	I107-V222 HydrophobicContact CD1-CG1 4.03Å; I107-V222 HydrophobicContact CG2-CG2 4.06Å; L109-V222 HydrophobicContact CD1-CG2 4.2Å; L109-V222 HydrophobicContact CD2-CG2 4.22Å; L197-V222 HydrophobicContact CD1-CG2 4.21Å; Y207-V222 HydrophobicContact CD1-CG1 3.8Å; Y207-V222 HydrophobicContact CE1-CB 4.48Å; Y207-V222 HydrophobicContact CE1-CG1 3.57Å; Y207-V222 HydrophobicContact CE2-CG1 4.47Å; Y207-V222 HydrophobicContact CG-CG1 4.34Å; L217-V222 PolarHBondContact O-N 2.89Å; H218-V222 PolarHBondContact O-N 2.87Å; V222-L225 WeakPolarHBondContact O-CA 3.41Å; V222-L225 VanDerWaalsContact O-CB 3.3Å; V222-L225 WeakPolarHBondContact O-CB 3.34Å; V222-L225 PolarHBondContact O-N 3.23Å; V222-L226 HydrophobicContact CG1-CD1 4.21Å; V222-L226 HydrophobicContact CG1-CG 4.2Å; V222-L226 PolarHBondContact O-N 3.34Å; V222-L226 VanDerWaalsContact O-N 3.16Å
223	R	96.4	Very high	95.3	Very high	104 Å²	104	54 Å²	54	39%	0.392	32%	0.321	S	S	.	.	H	α-helix	trans	-54.7	-43.6	-179	178.5	179.1	173.8	160.1	7.4	113.4	H218 L225 L226 E227	H218-R223 WeakPolarHBondContact O-CB 3.25Å; H218-R223 PolarHBondContact O-N 3.02Å; R223-L225 PolarHBondContact O-N 2.85Å; R223-L226 PolarHBondContact O-N 2.99Å; R223-E227 HydrophobicContact CG-CG 4.26Å; R223-E227 WeakPolarHBondContact CG-OE1 3.47Å; R223-E227 IonicContact CZ-OE1 3.95Å; R223-E227 IonicContact NE-OE1 2.95Å; R223-E227 PolarHBondContact NE-OE1 2.91Å; R223-E227 IonicContact NH2-OE1 3.65Å; R223-E227 WeakPolarHBondContact O-CG 3.5Å; R223-E227 PolarHBondContact O-N 3.37Å
224	P	95.6	Very high	95.3	Very high	59 Å²	59	55.1 Å²	55.1	38%	0.383	33%	0.33	S	S	.	.	H	α-helix	trans	-61.9	-26.7	176.1	-24.8	35.6	0	0	0	114.4
225	L	94.9	Very high	95.2	Very high	13 Å²	13	54.8 Å²	54.8	7%	0.068	33%	0.328	C	S	.	.	H	α-helix	trans	-72.1	-43.2	172	173.8	69.8	0	0	0	110.6	L105 I107 L197 K201 V205 V222 R223 G228 P230	L105-L225 HydrophobicContact CD2-CD2 3.68Å; I107-L225 HydrophobicContact CD1-CD2 3.94Å; L197-L225 HydrophobicContact CB-CD2 4.34Å; L197-L225 HydrophobicContact CD2-CD2 4.41Å; K201-L225 HydrophobicContact CG-CD1 3.99Å; V205-L225 HydrophobicContact CG2-CD2 4.21Å; V222-L225 WeakPolarHBondContact O-CA 3.41Å; V222-L225 VanDerWaalsContact O-CB 3.3Å; V222-L225 WeakPolarHBondContact O-CB 3.34Å; V222-L225 PolarHBondContact O-N 3.23Å; R223-L225 PolarHBondContact O-N 2.85Å; L225-G228 PolarHBondContact O-N 3.41Å; L225-G228 VanDerWaalsContact O-N 3.16Å; L225-P230 WeakPolarHBondContact O-CD 3.47Å
226	L	94.6	Very high	95.2	Very high	42 Å²	42	54.8 Å²	54.8	22%	0.22	32%	0.318	C	S	.	.	H	α-helix	trans	-68.2	-35.6	-179.1	-57.6	-175.5	0	0	0	112.7	V205 Y207 V222 R223 G228 G229 P230 V232	V205-L226 HydrophobicContact CG1-CD2 4.3Å; Y207-L226 HydrophobicContact CD1-CD1 4.1Å; Y207-L226 HydrophobicContact CE1-CD1 4.18Å; V222-L226 HydrophobicContact CG1-CD1 4.21Å; V222-L226 HydrophobicContact CG1-CG 4.2Å; V222-L226 PolarHBondContact O-N 3.34Å; V222-L226 VanDerWaalsContact O-N 3.16Å; R223-L226 PolarHBondContact O-N 2.99Å; L226-G228 PolarHBondContact O-N 3.42Å; L226-G229 PolarHBondContact O-N 3.4Å; L226-P230 HydrophobicContact CD2-CG 4.2Å; L226-P230 VanDerWaalsContact O-CD 3.29Å; L226-P230 WeakPolarHBondContact O-CD 3.45Å; L226-V232 HydrophobicContact CD2-CG2 3.79Å
227	E	93.6	Very high	95.1	Very high	129 Å²	129	55.6 Å²	55.6	60%	0.603	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.7	173.7	-72.5	172.2	173.5	0	0	112.4	R223 G229	R223-E227 HydrophobicContact CG-CG 4.26Å; R223-E227 WeakPolarHBondContact CG-OE1 3.47Å; R223-E227 IonicContact CZ-OE1 3.95Å; R223-E227 IonicContact NE-OE1 2.95Å; R223-E227 PolarHBondContact NE-OE1 2.91Å; R223-E227 IonicContact NH2-OE1 3.65Å; R223-E227 WeakPolarHBondContact O-CG 3.5Å; R223-E227 PolarHBondContact O-N 3.37Å; E227-G229 PolarHBondContact O-N 3.28Å
228	G	88.3	Confident	95.1	Very high	64 Å²	64	56 Å²	56	66%	0.66	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	0.9	169.5	0	0	0	0	0	114.8	L225 L226	L225-G228 PolarHBondContact O-N 3.41Å; L225-G228 VanDerWaalsContact O-N 3.16Å; L226-G228 PolarHBondContact O-N 3.42Å
229	G	89	Confident	95.1	Very high	65 Å²	65	54.8 Å²	54.8	67%	0.67	31%	0.313	S	S	*	.			trans	70	37.8	175.7	0	0	0	0	0	116.8	L226 E227	L226-G229 PolarHBondContact O-N 3.4Å; E227-G229 PolarHBondContact O-N 3.28Å
230	P	91.5	Very high	95.1	Very high	32 Å²	32	50.7 Å²	50.7	21%	0.208	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-68.3	159.6	173.8	33.1	-34.3	0	0	0	111	V205 L225 L226 V232	V205-P230 HydrophobicContact CG2-CB 3.8Å; V205-P230 HydrophobicContact CG2-CG 3.93Å; L225-P230 WeakPolarHBondContact O-CD 3.47Å; L226-P230 HydrophobicContact CD2-CG 4.2Å; L226-P230 VanDerWaalsContact O-CD 3.29Å; L226-P230 WeakPolarHBondContact O-CD 3.45Å; P230-V232 HydrophobicContact CG-CG2 4.19Å; P230-V232 PolarHBondContact O-N 3.02Å
231	M	91.8	Very high	95.1	Very high	79 Å²	79	48.5 Å²	48.5	39%	0.389	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-70.6	116.1	165.4	176.4	168.8	47.4	0	0	109.1	T204 V205 R233	T204-M231 HydrophobicContact CG2-CE 3.85Å; T204-M231 HydrophobicContact CG2-CG 4.34Å; T204-M231 WeakPolarHBondContact OG1-CE 3.43Å; V205-M231 PolarHBondContact N-O 2.85Å; M231-R233 PolarHBondContact SD-NH2 3.44Å
232	V	95.1	Very high	95.2	Very high	71 Å²	71	48.1 Å²	48.1	43%	0.43	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136.6	-179.9	-172.8	0	0	0	0	110.5	V205 L226 P230	V205-V232 CarbonylContact O-C 3.42Å; V205-V232 VanDerWaalsContact O-CA 3.3Å; V205-V232 WeakPolarHBondContact O-CA 3.42Å; L226-V232 HydrophobicContact CD2-CG2 3.79Å; P230-V232 HydrophobicContact CG-CG2 4.19Å; P230-V232 PolarHBondContact O-N 3.02Å
233	R	95.7	Very high	95.2	Very high	64 Å²	64	48.4 Å²	48.4	24%	0.242	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.5	175.8	-64.2	-177	177.4	-81.1	-6.3	110	T204 V205 W206 Y207 M231	T204-R233 HydrophobicContact CG2-CG 4.49Å; V205-R233 PolarHBondContact O-N 2.89Å; W206-R233 WeakPolarHBondContact CA-O 3.38Å; W206-R233 HydrophobicContact CD2-CB 3.99Å; W206-R233 HydrophobicContact CE3-CB 3.49Å; W206-R233 VanDerWaalsContact CE3-CB 3.49Å; W206-R233 HydrophobicContact CE3-CG 4.5Å; W206-R233 HydrophobicContact CH2-CB 4.23Å; W206-R233 VanDerWaalsContact CH2-CD 3.47Å; W206-R233 HydrophobicContact CH2-CG 4.47Å; W206-R233 HydrophobicContact CZ3-CB 3.62Å; W206-R233 HydrophobicContact CZ3-CG 4.32Å; Y207-R233 PolarHBondContact N-O 3.46Å; M231-R233 PolarHBondContact SD-NH2 3.44Å
234	S	95.7	Very high	95.3	Very high	55 Å²	55	43.5 Å²	43.5	39%	0.385	26%	0.263	S	S	.	.			trans	-69.6	137.4	176	-179.1	0	0	0	0	110.3	D208 P237	D208-S234 WeakPolarHBondContact OD1-CA 3.36Å; D208-S234 WeakPolarHBondContact OD1-CB 3.24Å; D208-S234 PolarHBondContact OD1-OG 3.42Å; S234-P237 WeakPolarHBondContact OG-CD 3.22Å
235	L	96.7	Very high	95.4	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	26%	0.261	C	S	.	.			trans	-95.5	-36.7	178.8	179.9	66.9	0	0	0	111.1	L84 I88 V106 V108 W206 D208 L238 T239	L84-L235 HydrophobicContact CD1-CD1 3.93Å; L84-L235 HydrophobicContact CD2-CD1 4.22Å; L84-L235 HydrophobicContact CG-CD1 4.47Å; I88-L235 HydrophobicContact CD1-CD1 4.43Å; V106-L235 HydrophobicContact CG1-CD1 3.78Å; V106-L235 HydrophobicContact CG1-CD2 3.58Å; V106-L235 HydrophobicContact CG1-CG 4.34Å; V108-L235 HydrophobicContact CG2-CD2 3.6Å; W206-L235 HydrophobicContact CB-CB 4.48Å; W206-L235 HydrophobicContact CB-CD1 4.13Å; D208-L235 WeakPolarHBondContact OD2-CA 3.28Å; D208-L235 WeakPolarHBondContact OD2-CB 3.35Å; D208-L235 PolarHBondContact OD2-N 2.87Å; L235-L238 WeakPolarHBondContact O-CA 3.49Å; L235-L238 WeakPolarHBondContact O-CB 3Å; L235-L238 PolarHBondContact O-N 2.97Å; L235-T239 HydrophobicContact CD1-CG2 4.26Å; L235-T239 HydrophobicContact CD2-CG2 4.23Å; L235-T239 HydrophobicContact CG-CG2 3.89Å; L235-T239 PolarHBondContact O-N 3.01Å; L235-T239 VanDerWaalsContact O-N 3.13Å; L235-T239 PolarHBondContact O-OG1 2.8Å
236	R	95.8	Very high	95.6	Very high	78 Å²	78	43.7 Å²	43.7	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-44.8	-48.5	-176.1	-83.6	174.9	-171.2	-178.7	4.7	115.6	D208 L238 T239 H240 E435	D208-R236 HydrophobicContact CB-CG 4.42Å; D208-R236 WeakPolarHBondContact OD2-CG 3.41Å; D208-R236 PolarHBondContact OD2-N 3.07Å; R236-L238 PolarHBondContact O-N 3.18Å; R236-T239 WeakPolarHBondContact CA-OG1 3.39Å; R236-T239 PolarHBondContact O-N 3.33Å; R236-T239 PolarHBondContact O-OG1 3.12Å; R236-H240 WeakPolarHBondContact O-CB 3.08Å; R236-H240 PolarHBondContact O-CD2 3.15Å; R236-H240 PolarHBondContact O-N 2.97Å; R236-E435 HydrophobicContact CB-CG 4.15Å
237	P	96.8	Very high	95.8	Very high	55 Å²	55	42.4 Å²	42.4	36%	0.357	26%	0.255	S	S	.	.	H	α-helix	trans	-58.3	-34.1	178.9	-27	35.7	0	0	0	113.2	S234 S241	S234-P237 WeakPolarHBondContact OG-CD 3.22Å; P237-S241 WeakPolarHBondContact O-CB 3.17Å; P237-S241 PolarHBondContact O-N 3.42Å; P237-S241 VanDerWaalsContact O-N 3.13Å
238	L	97.8	Very high	96	Very high	22 Å²	22	41.7 Å²	41.7	12%	0.115	26%	0.261	C	S	.	.	H	α-helix	trans	-76.1	-47.9	178.7	-56	-176	0	0	0	111	L84 L87 I88 W206 L235 R236 H240 S241 L242	L84-L238 HydrophobicContact CD1-CB 3.84Å; L87-L238 HydrophobicContact CB-CD1 4.46Å; L87-L238 HydrophobicContact CB-CD2 4.29Å; L87-L238 HydrophobicContact CD1-CB 4.32Å; I88-L238 HydrophobicContact CG1-CD1 3.57Å; W206-L238 HydrophobicContact CE3-CD1 4.13Å; W206-L238 HydrophobicContact CZ3-CD1 3.93Å; L235-L238 WeakPolarHBondContact O-CA 3.49Å; L235-L238 WeakPolarHBondContact O-CB 3Å; L235-L238 PolarHBondContact O-N 2.97Å; R236-L238 PolarHBondContact O-N 3.18Å; L238-H240 VanDerWaalsContact C-N 3.34Å; L238-H240 PolarHBondContact O-N 3.34Å; L238-S241 PolarHBondContact O-N 3.49Å; L238-S241 PolarHBondContact O-OG 3.13Å; L238-L242 PolarHBondContact O-N 3.02Å
239	T	97.8	Very high	96.5	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-40.6	179	45.9	0	0	0	0	111.6	L84 L133 L235 R236 S241 L242 R243	L84-T239 HydrophobicContact CD1-CG2 4.01Å; L84-T239 HydrophobicContact CD2-CG2 4.01Å; L133-T239 HydrophobicContact CD1-CG2 4.27Å; L235-T239 HydrophobicContact CD1-CG2 4.26Å; L235-T239 HydrophobicContact CD2-CG2 4.23Å; L235-T239 HydrophobicContact CG-CG2 3.89Å; L235-T239 PolarHBondContact O-N 3.01Å; L235-T239 VanDerWaalsContact O-N 3.13Å; L235-T239 PolarHBondContact O-OG1 2.8Å; R236-T239 WeakPolarHBondContact CA-OG1 3.39Å; R236-T239 PolarHBondContact O-N 3.33Å; R236-T239 PolarHBondContact O-OG1 3.12Å; T239-S241 PolarHBondContact O-N 3.08Å; T239-L242 WeakPolarHBondContact O-CB 3.34Å; T239-L242 PolarHBondContact O-N 3.49Å; T239-R243 WeakPolarHBondContact O-CG 3.37Å; T239-R243 PolarHBondContact O-N 3.49Å
240	H	98.3	Very high	96.9	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.046	21%	0.211	C	C	.	.	H	α-helix	trans	-66.7	-34.9	175.7	-69.1	-172.8	0	0	0	112.5	D129 R236 L238 L242 R243 A244 T433 E435 L436	D129-H240 IonicContact OD1-CD2 3.64Å; D129-H240 IonicContact OD1-NE2 3.98Å; D129-H240 IonicContact OD2-NE2 3.57Å; R236-H240 WeakPolarHBondContact O-CB 3.08Å; R236-H240 PolarHBondContact O-CD2 3.15Å; R236-H240 PolarHBondContact O-N 2.97Å; L238-H240 VanDerWaalsContact C-N 3.34Å; L238-H240 PolarHBondContact O-N 3.34Å; H240-L242 PolarHBondContact O-N 3.11Å; H240-R243 PolarHBondContact O-N 2.96Å; H240-A244 WeakPolarHBondContact O-CB 3.26Å; H240-A244 PolarHBondContact O-N 2.78Å; H240-T433 HydrophobicContact CB-CG2 3.93Å; H240-T433 VanDerWaalsContact O-CG2 3.3Å; H240-T433 WeakPolarHBondContact O-CG2 3.17Å; H240-E435 HydrophobicContact CB-CB 4.39Å; H240-E435 WeakPolarHBondContact ND1-CG 3.4Å; H240-L436 HydrophobicContact CB-CD1 3.64Å
241	S	97.9	Very high	97.3	Very high	42 Å²	42	36.8 Å²	36.8	29%	0.294	21%	0.208	S	C	.	.	H	α-helix	trans	-63.2	-31.5	174.5	78.4	0	0	0	0	113	L87 P237 L238 T239	L87-S241 WeakPolarHBondContact CD1-OG 3.49Å; P237-S241 WeakPolarHBondContact O-CB 3.17Å; P237-S241 PolarHBondContact O-N 3.42Å; P237-S241 VanDerWaalsContact O-N 3.13Å; L238-S241 PolarHBondContact O-N 3.49Å; L238-S241 PolarHBondContact O-OG 3.13Å; T239-S241 PolarHBondContact O-N 3.08Å
242	L	98.2	Very high	97.6	Very high	20 Å²	20	35.9 Å²	35.9	11%	0.105	21%	0.213	C	C	.	.	H	α-helix	trans	-74.4	-49.2	175	-62.9	176	0	0	0	111.3	R83 L84 L87 Y132 L238 T239 H240 A244 L245	R83-L242 HydrophobicContact CB-CD1 4.4Å; R83-L242 HydrophobicContact CB-CD2 3.79Å; L84-L242 HydrophobicContact CB-CD1 3.73Å; L84-L242 HydrophobicContact CD1-CD1 4.22Å; L87-L242 HydrophobicContact CD1-CD1 4.24Å; L87-L242 HydrophobicContact CD1-CD2 3.58Å; L87-L242 HydrophobicContact CD1-CG 3.74Å; L87-L242 HydrophobicContact CG-CD2 4.41Å; Y132-L242 HydrophobicContact CE1-CB 3.91Å; Y132-L242 PolarHBondContact OH-O 2.92Å; L238-L242 PolarHBondContact O-N 3.02Å; T239-L242 WeakPolarHBondContact O-CB 3.34Å; T239-L242 PolarHBondContact O-N 3.49Å; H240-L242 PolarHBondContact O-N 3.11Å; L242-A244 PolarHBondContact O-N 2.81Å; L242-L245 PolarHBondContact O-N 3.21Å
243	R	98.6	Very high	97.8	Very high	7 Å²	7	33 Å²	33	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-27.8	178.8	-73.3	171.5	55.9	-177.1	2	113.2	D129 Y132 T239 H240 L245 K246 D429 D432 T433	D129-R243 WeakPolarHBondContact OD1-CD 3.44Å; D129-R243 IonicContact OD1-CZ 3.3Å; D129-R243 IonicContact OD1-NH1 2.69Å; D129-R243 PolarHBondContact OD1-NH1 3.36Å; Y132-R243 HydrophobicContact CD1-CG 3.9Å; Y132-R243 HydrophobicContact CD2-CG 3.71Å; Y132-R243 HydrophobicContact CE1-CG 4.06Å; Y132-R243 HydrophobicContact CE2-CG 3.86Å; Y132-R243 HydrophobicContact CG-CG 3.72Å; T239-R243 WeakPolarHBondContact O-CG 3.37Å; T239-R243 PolarHBondContact O-N 3.49Å; H240-R243 PolarHBondContact O-N 2.96Å; R243-L245 PolarHBondContact O-N 3.38Å; R243-K246 WeakPolarHBondContact O-CD 3.37Å; R243-K246 WeakPolarHBondContact O-CE 3.26Å; R243-K246 PolarHBondContact O-NZ 3.02Å; R243-D429 IonicContact CZ-OD2 3.65Å; R243-D429 IonicContact NH1-OD2 3.61Å; R243-D429 IonicContact NH2-OD2 3.82Å; R243-D429 PolarHBondContact NH2-OD2 3.48Å; R243-D432 IonicContact CZ-OD1 2.68Å; R243-D432 IonicContact NE-OD1 3.71Å; R243-D432 IonicContact NH2-OD1 2.82Å; R243-D432 PolarHBondContact NH2-OD1 2.82Å; R243-T433 HydrophobicContact CB-CG2 3.69Å
244	A	98	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.3	178.7	0	0	0	0	0	112.9	H240 L242 T433 L436 M446	H240-A244 WeakPolarHBondContact O-CB 3.26Å; H240-A244 PolarHBondContact O-N 2.78Å; L242-A244 PolarHBondContact O-N 2.81Å; A244-T433 HydrophobicContact CB-CG2 4.36Å; A244-L436 HydrophobicContact CB-CD2 3.35Å; A244-M446 WeakPolarHBondContact O-CA 3.33Å
245	L	98	Very high	98.1	Very high	63 Å²	63	33.2 Å²	33.2	33%	0.33	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-105.5	103.5	179.7	-65.7	172.9	0	0	0	110.3	L242 R243 Q443 M446	L242-L245 PolarHBondContact O-N 3.21Å; R243-L245 PolarHBondContact O-N 3.38Å; L245-Q443 HydrophobicContact CD2-CB 4.1Å; L245-M446 HydrophobicContact CD2-CE 4.29Å; L245-M446 HydrophobicContact CD2-CG 3.84Å
246	K	98.6	Very high	98.1	Very high	13 Å²	13	35.4 Å²	35.4	6%	0.057	20%	0.201	C	C	.	.			trans	-76.9	132.3	-176.1	-77.2	61.5	180	168	0	110.5	R243 E250 V251 M254 L426 D432 G445 A447	R243-K246 WeakPolarHBondContact O-CD 3.37Å; R243-K246 WeakPolarHBondContact O-CE 3.26Å; R243-K246 PolarHBondContact O-NZ 3.02Å; K246-E250 HydrophobicContact CB-CB 3.95Å; K246-E250 HydrophobicContact CG-CB 4.08Å; K246-V251 HydrophobicContact CB-CG2 3.78Å; K246-M254 HydrophobicContact CD-SD 4.46Å; K246-M254 HydrophobicContact CG-SD 3.8Å; K246-L426 WeakPolarHBondContact CE-O 3.27Å; K246-L426 PolarHBondContact NZ-O 2.81Å; K246-D432 IonicContact NZ-OD2 3.72Å; K246-D432 PolarHBondContact NZ-OD2 3.34Å; K246-G445 WeakPolarHBondContact CB-O 3.3Å; K246-G445 PolarHBondContact N-O 3.19Å; K246-A447 HydrophobicContact CD-CB 4.17Å
247	S	98.3	Very high	98.3	Very high	15 Å²	15	31.7 Å²	31.7	11%	0.105	19%	0.187	C	C	.	.			trans	-72.3	163.9	168.2	91.4	0	0	0	0	111.3	E76 A249 E250 V251	E76-S247 WeakPolarHBondContact OE1-CB 3.49Å; E76-S247 PolarHBondContact OE1-OG 3.04Å; S247-A249 PolarHBondContact O-N 2.75Å; S247-A249 VanDerWaalsContact O-N 3.15Å; S247-A249 PolarHBondContact OG-N 2.59Å; S247-E250 PolarHBondContact N-OE2 2.83Å; S247-E250 WeakPolarHBondContact O-CB 3.46Å; S247-E250 PolarHBondContact O-N 2.69Å; S247-V251 WeakPolarHBondContact O-CG2 3.23Å; S247-V251 PolarHBondContact O-N 3.33Å
248	P	97.9	Very high	98.4	Very high	114 Å²	114	29 Å²	29	74%	0.74	17%	0.17	S	C	*	.	H	α-helix	trans	-55.8	-32.1	176.8	-27	35.8	0	0	0	113.8	A252	P248-A252 PolarHBondContact O-N 2.98Å; P248-A252 VanDerWaalsContact O-N 3.08Å
249	A	98.2	Very high	98.4	Very high	32 Å²	32	31.8 Å²	31.8	26%	0.264	18%	0.179	S	C	.	.	H	α-helix	trans	-71.1	-38.9	177.1	0	0	0	0	0	111.8	L72 S247 A252 L253	L72-A249 HydrophobicContact CD2-CB 3.77Å; S247-A249 PolarHBondContact O-N 2.75Å; S247-A249 VanDerWaalsContact O-N 3.15Å; S247-A249 PolarHBondContact OG-N 2.59Å; A249-A252 WeakPolarHBondContact O-CB 3.43Å; A249-A252 PolarHBondContact O-N 3.27Å; A249-L253 PolarHBondContact O-N 2.73Å
250	E	98.8	Very high	98.5	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-65	-45.1	174.8	-55.5	-176.8	86.5	0	0	111	L72 R80 K246 S247 A252 L253 M254 Y338	L72-E250 HydrophobicContact CD2-CG 4.31Å; R80-E250 IonicContact NH2-OE1 3.69Å; R80-E250 PolarHBondContact NH2-OE1 3.37Å; R80-E250 IonicContact NH2-OE2 2.77Å; K246-E250 HydrophobicContact CB-CB 3.95Å; K246-E250 HydrophobicContact CG-CB 4.08Å; S247-E250 PolarHBondContact N-OE2 2.83Å; S247-E250 WeakPolarHBondContact O-CB 3.46Å; S247-E250 PolarHBondContact O-N 2.69Å; E250-A252 VanDerWaalsContact C-N 3.25Å; E250-A252 PolarHBondContact O-N 3.36Å; E250-L253 PolarHBondContact O-N 3.31Å; E250-L253 VanDerWaalsContact O-N 3.12Å; E250-M254 WeakPolarHBondContact O-CG 3.45Å; E250-M254 PolarHBondContact O-N 3.32Å; E250-Y338 HydrophobicContact CB-CD1 4.46Å; E250-Y338 HydrophobicContact CB-CE1 3.67Å; E250-Y338 HydrophobicContact CG-CE1 3.98Å; E250-Y338 WeakPolarHBondContact CG-OH 3.3Å; E250-Y338 PolarHBondContact OE1-OH 2.91Å
251	V	98.7	Very high	98.5	Very high	24 Å²	24	31.3 Å²	31.3	15%	0.145	18%	0.176	C	C	.	.	H	α-helix	trans	-60.1	-36.7	175.6	175.3	0	0	0	0	111.4	K246 S247 M254 K255 V479 L487	K246-V251 HydrophobicContact CB-CG2 3.78Å; S247-V251 WeakPolarHBondContact O-CG2 3.23Å; S247-V251 PolarHBondContact O-N 3.33Å; V251-M254 PolarHBondContact O-N 2.99Å; V251-K255 VanDerWaalsContact O-CB 3.3Å; V251-K255 WeakPolarHBondContact O-CB 3.26Å; V251-K255 PolarHBondContact O-N 3.28Å; V251-V479 HydrophobicContact CG1-CG2 4.32Å; V251-V479 HydrophobicContact CG2-CG1 4.05Å; V251-V479 HydrophobicContact CG2-CG2 4.41Å; V251-L487 HydrophobicContact CG1-CD2 3.87Å
252	A	98.5	Very high	98.6	Very high	60 Å²	60	29.3 Å²	29.3	50%	0.496	16%	0.162	S	C	.	.	H	α-helix	trans	-64.4	-39.6	176.1	0	0	0	0	0	112.4	P248 A249 E250 E256	P248-A252 PolarHBondContact O-N 2.98Å; P248-A252 VanDerWaalsContact O-N 3.08Å; A249-A252 WeakPolarHBondContact O-CB 3.43Å; A249-A252 PolarHBondContact O-N 3.27Å; E250-A252 VanDerWaalsContact C-N 3.25Å; E250-A252 PolarHBondContact O-N 3.36Å; A252-E256 PolarHBondContact O-N 2.93Å; A252-E256 VanDerWaalsContact O-N 3.14Å
253	L	98.7	Very high	98.6	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.063	17%	0.167	C	C	.	.	H	α-helix	trans	-67.1	-44.9	174.9	-68.1	171.1	0	0	0	111.6	L72 A249 E250 K255 E256 A257 Y335 F336 Y338	L72-L253 HydrophobicContact CD1-CD1 4.32Å; L72-L253 HydrophobicContact CD2-CD1 4.26Å; L72-L253 HydrophobicContact CG-CD1 4.03Å; A249-L253 PolarHBondContact O-N 2.73Å; E250-L253 PolarHBondContact O-N 3.31Å; E250-L253 VanDerWaalsContact O-N 3.12Å; L253-K255 VanDerWaalsContact C-N 3.31Å; L253-K255 PolarHBondContact O-N 3.3Å; L253-E256 PolarHBondContact O-N 3.16Å; L253-E256 VanDerWaalsContact O-N 3.15Å; L253-A257 PolarHBondContact O-N 2.95Å; L253-Y335 HydrophobicContact CD2-CD1 4.11Å; L253-Y335 HydrophobicContact CD2-CE1 4Å; L253-F336 HydrophobicContact CD2-CB 4.29Å; L253-Y338 HydrophobicContact CB-CD2 3.76Å; L253-Y338 HydrophobicContact CB-CE2 4.49Å; L253-Y338 HydrophobicContact CB-CG 4.08Å; L253-Y338 HydrophobicContact CD1-CD2 3.52Å; L253-Y338 HydrophobicContact CD1-CE2 3.59Å; L253-Y338 HydrophobicContact CG-CD2 4.28Å
254	M	98.9	Very high	98.6	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-37.4	176.2	-65.7	-176.4	72.9	0	0	112.3	K246 E250 V251 E256 A257 G258 Y338 L426 A447 L489	K246-M254 HydrophobicContact CD-SD 4.46Å; K246-M254 HydrophobicContact CG-SD 3.8Å; E250-M254 WeakPolarHBondContact O-CG 3.45Å; E250-M254 PolarHBondContact O-N 3.32Å; V251-M254 PolarHBondContact O-N 2.99Å; M254-E256 VanDerWaalsContact C-N 3.3Å; M254-E256 PolarHBondContact O-N 3.43Å; M254-A257 PolarHBondContact O-N 3.22Å; M254-G258 PolarHBondContact O-N 2.77Å; M254-Y338 HydrophobicContact CG-CD1 3.66Å; M254-Y338 HydrophobicContact CG-CG 4.04Å; M254-Y338 HydrophobicContact SD-CD1 4.16Å; M254-L426 HydrophobicContact CE-CB 4.23Å; M254-L426 HydrophobicContact CE-CD2 3.83Å; M254-L426 HydrophobicContact CE-CG 3.9Å; M254-A447 HydrophobicContact CE-CB 3.61Å; M254-A447 HydrophobicContact SD-CB 4.05Å; M254-L489 HydrophobicContact CB-CD1 3.68Å; M254-L489 HydrophobicContact CE-CD1 4.13Å
255	K	98.7	Very high	98.6	Very high	121 Å²	121	30 Å²	30	53%	0.526	17%	0.166	S	C	.	.	H	α-helix	trans	-63	-38.7	174.5	-174.2	174.6	-178.9	177.7	0	111.7	V251 L253 R259 L489	V251-K255 VanDerWaalsContact O-CB 3.3Å; V251-K255 WeakPolarHBondContact O-CB 3.26Å; V251-K255 PolarHBondContact O-N 3.28Å; L253-K255 VanDerWaalsContact C-N 3.31Å; L253-K255 PolarHBondContact O-N 3.3Å; K255-R259 WeakPolarHBondContact O-CB 3.48Å; K255-R259 PolarHBondContact O-N 3.4Å; K255-L489 HydrophobicContact CB-CD2 4.02Å; K255-L489 HydrophobicContact CG-CD2 4.49Å
256	E	98.7	Very high	98.6	Very high	51 Å²	51	28.9 Å²	28.9	24%	0.238	16%	0.158	C	C	.	.	H	α-helix	trans	-70.3	-40.2	176.6	-173.3	59.9	-172.9	0	0	111.9	A252 L253 M254 G258 R259 I260 Y335	A252-E256 PolarHBondContact O-N 2.93Å; A252-E256 VanDerWaalsContact O-N 3.14Å; L253-E256 PolarHBondContact O-N 3.16Å; L253-E256 VanDerWaalsContact O-N 3.15Å; M254-E256 VanDerWaalsContact C-N 3.3Å; M254-E256 PolarHBondContact O-N 3.43Å; E256-G258 PolarHBondContact O-N 3.21Å; E256-R259 VanDerWaalsContact CD-NE 3.32Å; E256-R259 WeakPolarHBondContact O-CB 3.13Å; E256-R259 PolarHBondContact O-N 2.92Å; E256-R259 IonicContact OE1-CZ 3.35Å; E256-R259 VanDerWaalsContact OE1-CZ 3.29Å; E256-R259 IonicContact OE1-NE 3.76Å; E256-R259 PolarHBondContact OE1-NE 3.22Å; E256-R259 VanDerWaalsContact OE1-NE 3.14Å; E256-R259 IonicContact OE1-NH2 3.89Å; E256-R259 PolarHBondContact OE1-NH2 3.27Å; E256-R259 IonicContact OE2-CZ 3.9Å; E256-R259 IonicContact OE2-NE 3.9Å; E256-R259 PolarHBondContact OE2-NE 2.96Å; E256-R259 IonicContact OE2-NH2 3.75Å; E256-I260 HydrophobicContact CG-CD1 4.15Å; E256-I260 WeakPolarHBondContact O-CG1 3.41Å; E256-I260 PolarHBondContact O-N 3.2Å; E256-Y335 HydrophobicContact CB-CD1 3.84Å; E256-Y335 HydrophobicContact CB-CE1 3.8Å; E256-Y335 HydrophobicContact CG-CD1 3.7Å; E256-Y335 HydrophobicContact CG-CE1 3.36Å; E256-Y335 HydrophobicContact CG-CE2 4.29Å; E256-Y335 HydrophobicContact CG-CG 4.28Å
257	A	98.8	Very high	98.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.5	-49.9	170.7	0	0	0	0	0	111.2	L253 M254 R259 I260 T261	L253-A257 PolarHBondContact O-N 2.95Å; M254-A257 PolarHBondContact O-N 3.22Å; A257-R259 VanDerWaalsContact C-N 3.33Å; A257-R259 PolarHBondContact O-N 3.21Å; A257-I260 PolarHBondContact O-N 3.43Å; A257-T261 WeakPolarHBondContact O-CB 3.27Å; A257-T261 PolarHBondContact O-N 3.2Å; A257-T261 PolarHBondContact O-OG1 3.12Å
258	G	98.8	Very high	98.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-39.8	175.9	0	0	0	0	0	113.3	M254 E256 A262	M254-G258 PolarHBondContact O-N 2.77Å; E256-G258 PolarHBondContact O-N 3.21Å; G258-A262 VanDerWaalsContact O-CB 3.28Å; G258-A262 WeakPolarHBondContact O-CB 3.25Å; G258-A262 PolarHBondContact O-N 3.32Å
259	R	98.8	Very high	98.6	Very high	80 Å²	80	23.9 Å²	23.9	30%	0.302	12%	0.123	S	C	.	.	H	α-helix	trans	-64.6	-46.3	176.2	-169.8	-163.3	68.5	69.5	1.4	112	K255 E256 A257 A262 Q263	K255-R259 WeakPolarHBondContact O-CB 3.48Å; K255-R259 PolarHBondContact O-N 3.4Å; E256-R259 VanDerWaalsContact CD-NE 3.32Å; E256-R259 WeakPolarHBondContact O-CB 3.13Å; E256-R259 PolarHBondContact O-N 2.92Å; E256-R259 IonicContact OE1-CZ 3.35Å; E256-R259 VanDerWaalsContact OE1-CZ 3.29Å; E256-R259 IonicContact OE1-NE 3.76Å; E256-R259 PolarHBondContact OE1-NE 3.22Å; E256-R259 VanDerWaalsContact OE1-NE 3.14Å; E256-R259 IonicContact OE1-NH2 3.89Å; E256-R259 PolarHBondContact OE1-NH2 3.27Å; E256-R259 IonicContact OE2-CZ 3.9Å; E256-R259 IonicContact OE2-NE 3.9Å; E256-R259 PolarHBondContact OE2-NE 2.96Å; E256-R259 IonicContact OE2-NH2 3.75Å; A257-R259 VanDerWaalsContact C-N 3.33Å; A257-R259 PolarHBondContact O-N 3.21Å; R259-A262 PolarHBondContact O-N 2.95Å; R259-Q263 WeakPolarHBondContact O-CG 3.47Å; R259-Q263 PolarHBondContact O-N 3.32Å; R259-Q263 VanDerWaalsContact O-N 3.13Å
260	I	98.8	Very high	98.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.6	-50.6	178.1	-71.8	167.1	0	0	0	109.7	E256 A257 A262 Q263 A264 H292 A294 Y335	E256-I260 HydrophobicContact CG-CD1 4.15Å; E256-I260 WeakPolarHBondContact O-CG1 3.41Å; E256-I260 PolarHBondContact O-N 3.2Å; A257-I260 PolarHBondContact O-N 3.43Å; I260-A262 VanDerWaalsContact C-N 3.32Å; I260-A262 PolarHBondContact O-N 3.44Å; I260-Q263 WeakPolarHBondContact O-CB 3.4Å; I260-Q263 PolarHBondContact O-N 2.85Å; I260-Q263 VanDerWaalsContact O-N 3.11Å; I260-A264 PolarHBondContact O-N 3.28Å; I260-H292 HydrophobicContact CB-CB 4.41Å; I260-H292 HydrophobicContact CG1-CB 4.15Å; I260-H292 HydrophobicContact CG2-CB 3.84Å; I260-A294 HydrophobicContact CG2-CB 4.2Å; I260-Y335 HydrophobicContact CD1-CD2 3.51Å; I260-Y335 HydrophobicContact CD1-CE2 3.94Å; I260-Y335 HydrophobicContact CD1-CG 3.99Å
261	T	98.9	Very high	98.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.8	-40.2	179.9	-54.8	0	0	0	0	111.6	A257 Q263 A264 F265 F285 G331 C333 S340 I342	A257-T261 WeakPolarHBondContact O-CB 3.27Å; A257-T261 PolarHBondContact O-N 3.2Å; A257-T261 PolarHBondContact O-OG1 3.12Å; T261-Q263 VanDerWaalsContact C-N 3.31Å; T261-Q263 PolarHBondContact O-N 2.93Å; T261-A264 WeakPolarHBondContact O-CB 3.26Å; T261-A264 PolarHBondContact O-N 3.15Å; T261-A264 VanDerWaalsContact O-N 3.15Å; T261-F265 HydrophobicContact CG2-CD2 3.96Å; T261-F265 HydrophobicContact CG2-CE2 3.87Å; T261-F265 WeakPolarHBondContact O-CD2 3.34Å; T261-F265 PolarHBondContact O-N 2.69Å; T261-F285 HydrophobicContact CG2-CE2 4.18Å; T261-F285 HydrophobicContact CG2-CZ 3.87Å; T261-G331 WeakPolarHBondContact CG2-O 3.16Å; T261-C333 PolarHBondContact OG1-SG 3.2Å; T261-S340 WeakPolarHBondContact CB-OG 3.49Å; T261-S340 PolarHBondContact OG1-OG 3.42Å; T261-I342 HydrophobicContact CG2-CB 4.12Å; T261-I342 HydrophobicContact CG2-CD1 3.63Å; T261-I342 HydrophobicContact CG2-CG1 4.07Å
262	A	98.8	Very high	98.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60	-38.6	174.6	0	0	0	0	0	113.2	G258 R259 I260 K266 D492 T493	G258-A262 VanDerWaalsContact O-CB 3.28Å; G258-A262 WeakPolarHBondContact O-CB 3.25Å; G258-A262 PolarHBondContact O-N 3.32Å; R259-A262 PolarHBondContact O-N 2.95Å; I260-A262 VanDerWaalsContact C-N 3.32Å; I260-A262 PolarHBondContact O-N 3.44Å; A262-K266 WeakPolarHBondContact O-CG 3.44Å; A262-K266 PolarHBondContact O-N 3.08Å; A262-K266 VanDerWaalsContact O-N 3.16Å; A262-D492 HydrophobicContact CB-CB 3.83Å; A262-T493 VanDerWaalsContact CA-OG1 3.22Å; A262-T493 WeakPolarHBondContact CA-OG1 3.23Å; A262-T493 WeakPolarHBondContact CB-OG1 3.25Å
263	Q	98.5	Very high	97.7	Very high	42 Å²	42	27.6 Å²	27.6	20%	0.196	13%	0.126	C	C	.	.	H	α-helix	trans	-67.6	-44.2	174.1	-64.2	-57.9	-41.9	0	0	111	R259 I260 T261 F265 K266 K267	R259-Q263 WeakPolarHBondContact O-CG 3.47Å; R259-Q263 PolarHBondContact O-N 3.32Å; R259-Q263 VanDerWaalsContact O-N 3.13Å; I260-Q263 WeakPolarHBondContact O-CB 3.4Å; I260-Q263 PolarHBondContact O-N 2.85Å; I260-Q263 VanDerWaalsContact O-N 3.11Å; T261-Q263 VanDerWaalsContact C-N 3.31Å; T261-Q263 PolarHBondContact O-N 2.93Å; Q263-F265 VanDerWaalsContact C-N 3.31Å; Q263-F265 PolarHBondContact O-N 3.38Å; Q263-K266 PolarHBondContact O-N 2.85Å; Q263-K266 VanDerWaalsContact O-N 3.17Å; Q263-K267 WeakPolarHBondContact O-CB 3.28Å; Q263-K267 WeakPolarHBondContact O-CG 3.19Å; Q263-K267 PolarHBondContact O-N 2.9Å
264	A	98.7	Very high	97.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.7	-42.7	177	0	0	0	0	0	112.3	I260 T261 K267 T268 F285 E288 C289	I260-A264 PolarHBondContact O-N 3.28Å; T261-A264 WeakPolarHBondContact O-CB 3.26Å; T261-A264 PolarHBondContact O-N 3.15Å; T261-A264 VanDerWaalsContact O-N 3.15Å; A264-K267 PolarHBondContact O-N 3.41Å; A264-T268 VanDerWaalsContact O-CB 3.28Å; A264-T268 WeakPolarHBondContact O-CB 3.23Å; A264-T268 PolarHBondContact O-N 3.38Å; A264-T268 PolarHBondContact O-OG1 2.83Å; A264-F285 HydrophobicContact CB-CD2 3.74Å; A264-F285 HydrophobicContact CB-CE2 3.71Å; A264-E288 HydrophobicContact CB-CB 3.67Å; A264-C289 VanDerWaalsContact CB-SG 3.5Å
265	F	98.8	Very high	97.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.4	-50	173.1	-92	-78.3	0	0	0	112.8	T261 Q263 K267 T268 M269 F285 L329 I342 R344 W346 T493	T261-F265 HydrophobicContact CG2-CD2 3.96Å; T261-F265 HydrophobicContact CG2-CE2 3.87Å; T261-F265 WeakPolarHBondContact O-CD2 3.34Å; T261-F265 PolarHBondContact O-N 2.69Å; Q263-F265 VanDerWaalsContact C-N 3.31Å; Q263-F265 PolarHBondContact O-N 3.38Å; F265-K267 VanDerWaalsContact C-N 3.29Å; F265-K267 PolarHBondContact O-N 3.48Å; F265-T268 PolarHBondContact O-N 3.37Å; F265-M269 HydrophobicContact CD1-CE 4.27Å; F265-M269 WeakPolarHBondContact O-CB 3.22Å; F265-M269 VanDerWaalsContact O-CG 3.3Å; F265-M269 WeakPolarHBondContact O-CG 3.32Å; F265-M269 PolarHBondContact O-N 3.15Å; F265-F285 AromaticContact CD2-CE2 3.69Å; F265-F285 HydrophobicContact CD2-CE2 3.69Å; F265-F285 HydrophobicContact CD2-CZ 4.46Å; F265-F285 AromaticContact CE2-CE2 3.6Å; F265-F285 HydrophobicContact CE2-CE2 3.6Å; F265-F285 HydrophobicContact CE2-CZ 4.03Å; F265-F285 HydrophobicContact CG-CE2 4.3Å; F265-F285 HydrophobicContact CZ-CE2 4.19Å; F265-L329 HydrophobicContact CD1-CD2 4.49Å; F265-L329 HydrophobicContact CE1-CB 4.04Å; F265-L329 HydrophobicContact CE1-CD2 3.55Å; F265-L329 HydrophobicContact CE1-CG 4.3Å; F265-L329 WeakPolarHBondContact CE1-O 3.4Å; F265-L329 HydrophobicContact CE2-CD2 4.27Å; F265-L329 HydrophobicContact CZ-CD2 3.4Å; F265-L329 WeakPolarHBondContact CZ-O 3.46Å; F265-I342 HydrophobicContact CD2-CB 4.4Å; F265-I342 HydrophobicContact CD2-CG2 4Å; F265-I342 HydrophobicContact CE2-CB 3.72Å; F265-I342 HydrophobicContact CE2-CG2 3.59Å; F265-I342 WeakPolarHBondContact CE2-O 3.24Å; F265-I342 HydrophobicContact CZ-CB 4.38Å; F265-I342 HydrophobicContact CZ-CG2 4.09Å; F265-I342 WeakPolarHBondContact CZ-O 3.34Å; F265-R344 HydrophobicContact CD1-CB 3.84Å; F265-R344 HydrophobicContact CD1-CG 3.84Å; F265-R344 HydrophobicContact CE1-CB 3.63Å; F265-R344 HydrophobicContact CE1-CG 3.88Å; F265-R344 HydrophobicContact CG-CG 4.39Å; F265-R344 HydrophobicContact CZ-CG 4.49Å; F265-W346 HydrophobicContact CD1-CZ3 4.17Å; F265-W346 HydrophobicContact CE1-CZ3 4.08Å; F265-T493 HydrophobicContact CB-CG2 3.69Å; F265-T493 HydrophobicContact CD1-CG2 4.48Å; F265-T493 HydrophobicContact CD2-CG2 4.04Å; F265-T493 HydrophobicContact CG-CG2 3.82Å
266	K	98.4	Very high	97.2	Very high	39 Å²	39	27.5 Å²	27.5	17%	0.17	14%	0.138	C	C	.	.	H	α-helix	trans	-57	-44.1	-180	-73.9	170	-175.1	168.6	0	112.1	A262 Q263 G270 D492 P494 W508	A262-K266 WeakPolarHBondContact O-CG 3.44Å; A262-K266 PolarHBondContact O-N 3.08Å; A262-K266 VanDerWaalsContact O-N 3.16Å; Q263-K266 PolarHBondContact O-N 2.85Å; Q263-K266 VanDerWaalsContact O-N 3.17Å; K266-G270 PolarHBondContact O-N 2.96Å; K266-G270 VanDerWaalsContact O-N 3.09Å; K266-D492 WeakPolarHBondContact CE-O 3.44Å; K266-D492 PolarHBondContact NZ-O 3.13Å; K266-P494 HydrophobicContact CG-CG 3.83Å; K266-W508 HydrophobicContact CB-CZ2 4.06Å; K266-W508 PolarHBondContact O-NE1 2.85Å; K266-W508 VanDerWaalsContact O-NE1 3.12Å
267	K	98.1	Very high	97.2	Very high	37 Å²	37	27.9 Å²	27.9	16%	0.161	14%	0.141	C	C	.	.	H	α-helix	trans	-68.4	-38.4	179.6	-65.5	-70.6	-174.2	171.9	0	112	Q263 A264 F265 M271 E288 W508	Q263-K267 WeakPolarHBondContact O-CB 3.28Å; Q263-K267 WeakPolarHBondContact O-CG 3.19Å; Q263-K267 PolarHBondContact O-N 2.9Å; A264-K267 PolarHBondContact O-N 3.41Å; F265-K267 VanDerWaalsContact C-N 3.29Å; F265-K267 PolarHBondContact O-N 3.48Å; K267-M271 PolarHBondContact O-N 3.47Å; K267-E288 HydrophobicContact CB-CG 3.64Å; K267-E288 HydrophobicContact CG-CG 4.16Å; K267-W508 HydrophobicContact CD-CB 3.49Å; K267-W508 VanDerWaalsContact CD-CB 3.49Å; K267-W508 HydrophobicContact CD-CD2 3.66Å; K267-W508 HydrophobicContact CD-CE3 4.02Å; K267-W508 HydrophobicContact CD-CG 3.47Å; K267-W508 VanDerWaalsContact CD-CG 3.47Å
268	T	98.4	Very high	97.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-70.1	-42.5	177.2	-55.5	0	0	0	0	111.3	A264 F265 G270 M271 S272 L281 K284 L329 W346	A264-T268 VanDerWaalsContact O-CB 3.28Å; A264-T268 WeakPolarHBondContact O-CB 3.23Å; A264-T268 PolarHBondContact O-N 3.38Å; A264-T268 PolarHBondContact O-OG1 2.83Å; F265-T268 PolarHBondContact O-N 3.37Å; T268-G270 PolarHBondContact O-N 3.2Å; T268-M271 PolarHBondContact O-N 2.9Å; T268-S272 PolarHBondContact O-N 3.46Å; T268-L281 HydrophobicContact CG2-CB 4.27Å; T268-L281 HydrophobicContact CG2-CD2 3.81Å; T268-K284 HydrophobicContact CG2-CG 4.4Å; T268-L329 HydrophobicContact CG2-CD1 4.08Å; T268-W346 HydrophobicContact CG2-CH2 4.41Å; T268-W346 HydrophobicContact CG2-CZ2 4.27Å
269	M	98.4	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.4	-47.6	173	-74.4	175.1	179.6	0	0	111.7	F265 M271 S272 R344 W346 P494 A503	F265-M269 HydrophobicContact CD1-CE 4.27Å; F265-M269 WeakPolarHBondContact O-CB 3.22Å; F265-M269 VanDerWaalsContact O-CG 3.3Å; F265-M269 WeakPolarHBondContact O-CG 3.32Å; F265-M269 PolarHBondContact O-N 3.15Å; M269-M271 PolarHBondContact O-N 3.23Å; M269-S272 VanDerWaalsContact O-CB 3.25Å; M269-S272 WeakPolarHBondContact O-CB 3.24Å; M269-S272 PolarHBondContact O-N 2.94Å; M269-S272 VanDerWaalsContact O-N 3.08Å; M269-R344 HydrophobicContact CE-CB 3.68Å; M269-R344 HydrophobicContact CE-CG 3.88Å; M269-W346 HydrophobicContact CE-CD2 4.28Å; M269-W346 HydrophobicContact CE-CE3 3.84Å; M269-W346 HydrophobicContact CE-CZ3 4.32Å; M269-W346 HydrophobicContact CG-CD2 3.89Å; M269-W346 HydrophobicContact CG-CE3 4.2Å; M269-W346 HydrophobicContact CG-CG 4.22Å; M269-W346 HydrophobicContact CG-CZ2 4.34Å; M269-P494 HydrophobicContact SD-CB 4.19Å; M269-P494 HydrophobicContact SD-CG 4.22Å; M269-A503 HydrophobicContact CB-CB 4.21Å; M269-A503 HydrophobicContact SD-CB 3.86Å
270	G	96.9	Very high	97.2	Very high	7 Å²	7	30.3 Å²	30.3	7%	0.072	17%	0.166	C	C	.	.	H	α-helix	trans	-69.7	-15	-179.6	0	0	0	0	0	115.1	K266 T268 A503 Q506	K266-G270 PolarHBondContact O-N 2.96Å; K266-G270 VanDerWaalsContact O-N 3.09Å; T268-G270 PolarHBondContact O-N 3.2Å; G270-A503 WeakPolarHBondContact CA-O 3.47Å; G270-Q506 WeakPolarHBondContact CA-O 3.39Å
271	M	94.9	Very high	97.2	Very high	57 Å²	57	30.3 Å²	30.3	28%	0.281	17%	0.166	S	C	.	.	H	α-helix	trans	-87	-19.5	171.9	-167.5	-175	71.7	0	0	112.3	K267 T268 M269 Q273 I276 L280 L281 K284	K267-M271 PolarHBondContact O-N 3.47Å; T268-M271 PolarHBondContact O-N 2.9Å; M269-M271 PolarHBondContact O-N 3.23Å; M271-Q273 PolarHBondContact O-N 3.39Å; M271-I276 HydrophobicContact CE-CD1 4.36Å; M271-L280 HydrophobicContact CE-CD1 4.32Å; M271-L280 HydrophobicContact CE-CD2 4.34Å; M271-L280 HydrophobicContact CE-CG 3.77Å; M271-L281 HydrophobicContact CE-CD2 4.07Å; M271-K284 HydrophobicContact CE-CB 3.33Å; M271-K284 HydrophobicContact CE-CD 4.37Å; M271-K284 HydrophobicContact CE-CG 3.61Å; M271-K284 HydrophobicContact SD-CB 3.84Å; M271-K284 HydrophobicContact SD-CD 3.77Å; M271-K284 HydrophobicContact SD-CG 3.66Å
272	S	92.1	Very high	97.2	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.014	18%	0.18	C	C	.	.			trans	-69.5	111	-177.6	-172	0	0	0	0	110.8	T268 M269 W346 V348	T268-S272 PolarHBondContact O-N 3.46Å; M269-S272 VanDerWaalsContact O-CB 3.25Å; M269-S272 WeakPolarHBondContact O-CB 3.24Å; M269-S272 PolarHBondContact O-N 2.94Å; M269-S272 VanDerWaalsContact O-N 3.08Å; S272-W346 PolarHBondContact OG-NE1 3.05Å; S272-V348 CarbonylContact C-O 3.05Å; S272-V348 WeakPolarHBondContact OG-CA 3.27Å; S272-V348 VanDerWaalsContact OG-CB 3.31Å; S272-V348 WeakPolarHBondContact OG-CB 3.5Å; S272-V348 PolarHBondContact OG-O 3.47Å
273	Q	90.9	Very high	97.2	Very high	131 Å²	131	36.3 Å²	36.3	61%	0.612	20%	0.2	S	C	*	.			trans	-148.5	138.8	177.1	-62.8	-172.3	3.8	0	0	111.7	M271 V348	M271-Q273 PolarHBondContact O-N 3.39Å; Q273-V348 WeakPolarHBondContact CA-O 3.46Å; Q273-V348 PolarHBondContact N-O 3.29Å
274	G	91.6	Very high	97.2	Very high	30 Å²	30	36.2 Å²	36.2	31%	0.309	20%	0.199	S	C	.	.	S	Bend	trans	60.3	-144.5	173.9	0	0	0	0	0	113.5
275	D	97.2	Very high	97.2	Very high	89 Å²	89	36.2 Å²	36.2	48%	0.476	20%	0.199	S	C	.	.	S	Bend	trans	-75.3	125.5	167.2	-81.8	21	0	0	0	108.7	I320 V321 K322 N323	D275-I320 HydrophobicContact CB-CG2 3.97Å; D275-V321 WeakPolarHBondContact CA-O 3.48Å; D275-K322 WeakPolarHBondContact OD1-CA 3.32Å; D275-K322 VanDerWaalsContact OD2-CD 3.26Å; D275-K322 WeakPolarHBondContact OD2-CD 3.49Å; D275-K322 IonicContact OD2-NZ 2.79Å; D275-K322 PolarHBondContact OD2-NZ 3.32Å; D275-N323 PolarHBondContact OD1-N 2.84Å
276	I	97.6	Very high	97.2	Very high	13 Å²	13	37.8 Å²	37.8	7%	0.067	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	145.3	-176.8	-167.6	162.4	0	0	0	111.5	M271 L280 L281 V321 V348	M271-I276 HydrophobicContact CE-CD1 4.36Å; I276-L280 HydrophobicContact CD1-CD2 4.17Å; I276-L280 HydrophobicContact CG1-CD2 4.08Å; I276-L281 HydrophobicContact CD1-CD2 3.73Å; I276-L281 HydrophobicContact CD1-CG 4.07Å; I276-L281 HydrophobicContact CG1-CG 4.33Å; I276-L281 HydrophobicContact CG2-CD1 4.11Å; I276-L281 HydrophobicContact CG2-CG 4.46Å; I276-V321 HydrophobicContact CG2-CB 4.15Å; I276-V321 HydrophobicContact CG2-CG2 4.46Å; I276-V321 PolarHBondContact N-O 2.97Å; I276-V321 PolarHBondContact O-N 3.22Å; I276-V348 HydrophobicContact CG2-CB 4.17Å; I276-V348 HydrophobicContact CG2-CG1 4.1Å
277	D	98.3	Very high	97.2	Very high	58 Å²	58	41.9 Å²	41.9	31%	0.31	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.6	177	-160.3	-46.5	0	0	0	110.9	A279 L280 L281 I320	D277-A279 PolarHBondContact O-N 2.94Å; D277-A279 VanDerWaalsContact OD1-CB 3.23Å; D277-A279 WeakPolarHBondContact OD1-CB 3.37Å; D277-A279 PolarHBondContact OD1-N 3.15Å; D277-L280 HydrophobicContact CB-CB 4.17Å; D277-L280 WeakPolarHBondContact O-CB 3.33Å; D277-L280 PolarHBondContact O-N 3.13Å; D277-L281 PolarHBondContact O-N 3.17Å; D277-I320 HydrophobicContact CB-CD1 4.01Å
278	E	98.8	Very high	97.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-55.2	-37.3	171.2	-71.2	165	172.7	0	0	111.8	L280 L281 Y282 V303 G305 R308 Y314 N317 N318 Q319 V321	E278-L280 VanDerWaalsContact C-N 3.26Å; E278-L280 PolarHBondContact O-N 3.37Å; E278-L281 PolarHBondContact O-N 3.1Å; E278-Y282 WeakPolarHBondContact O-CB 3.25Å; E278-Y282 PolarHBondContact O-N 3.5Å; E278-V303 HydrophobicContact CB-CB 4.3Å; E278-V303 HydrophobicContact CB-CG1 4.01Å; E278-V303 HydrophobicContact CG-CG1 4.26Å; E278-V303 VanDerWaalsContact CG-O 3.23Å; E278-V303 WeakPolarHBondContact CG-O 3.43Å; E278-G305 PolarHBondContact OE1-N 2.76Å; E278-R308 IonicContact OE1-CZ 2.82Å; E278-R308 IonicContact OE1-NE 3.82Å; E278-R308 PolarHBondContact OE1-NE 2.95Å; E278-R308 IonicContact OE1-NH2 3.23Å; E278-R308 PolarHBondContact OE1-NH2 3.43Å; E278-R308 IonicContact OE2-NE 3.47Å; E278-Y314 WeakPolarHBondContact OE2-CE1 3.03Å; E278-Y314 PolarHBondContact OE2-OH 2.89Å; E278-N317 HydrophobicContact CB-CB 4.35Å; E278-N318 PolarHBondContact OE2-N 2.86Å; E278-N318 VanDerWaalsContact OE2-N 3.17Å; E278-Q319 VanDerWaalsContact CG-O 3.28Å; E278-Q319 WeakPolarHBondContact CG-O 3.36Å; E278-Q319 PolarHBondContact N-O 3.44Å; E278-Q319 WeakPolarHBondContact OE2-CB 3.42Å; E278-Q319 PolarHBondContact OE2-N 3.39Å; E278-V321 HydrophobicContact CG-CG2 3.59Å
279	A	98.6	Very high	97.2	Very high	43 Å²	43	40.9 Å²	40.9	36%	0.355	22%	0.221	S	C	.	.	H	α-helix	trans	-64	-31.9	177.2	0	0	0	0	0	112.2	D277 Y282 A283 N317	D277-A279 PolarHBondContact O-N 2.94Å; D277-A279 VanDerWaalsContact OD1-CB 3.23Å; D277-A279 WeakPolarHBondContact OD1-CB 3.37Å; D277-A279 PolarHBondContact OD1-N 3.15Å; A279-Y282 WeakPolarHBondContact O-CB 3.49Å; A279-A283 WeakPolarHBondContact O-CB 3.11Å; A279-A283 PolarHBondContact O-N 2.67Å; A279-N317 WeakPolarHBondContact CA-O 3.2Å; A279-N317 WeakPolarHBondContact CB-O 3.47Å; A279-N317 PolarHBondContact N-O 2.54Å
280	L	98.4	Very high	97.2	Very high	89 Å²	89	46.5 Å²	46.5	47%	0.466	24%	0.243	S	C	.	.	H	α-helix	trans	-72.5	-42.2	177.8	-179.5	59.6	0	0	0	111	M271 I276 D277 E278 A283 K284	M271-L280 HydrophobicContact CE-CD1 4.32Å; M271-L280 HydrophobicContact CE-CD2 4.34Å; M271-L280 HydrophobicContact CE-CG 3.77Å; I276-L280 HydrophobicContact CD1-CD2 4.17Å; I276-L280 HydrophobicContact CG1-CD2 4.08Å; D277-L280 HydrophobicContact CB-CB 4.17Å; D277-L280 WeakPolarHBondContact O-CB 3.33Å; D277-L280 PolarHBondContact O-N 3.13Å; E278-L280 VanDerWaalsContact C-N 3.26Å; E278-L280 PolarHBondContact O-N 3.37Å; L280-A283 PolarHBondContact O-N 3.21Å; L280-K284 WeakPolarHBondContact O-CB 3.32Å; L280-K284 PolarHBondContact O-N 3.28Å
281	L	98.6	Very high	97.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-42	173.8	-68.5	177.4	0	0	0	111.3	T268 M271 I276 D277 E278 K284 F285 V303 V327	T268-L281 HydrophobicContact CG2-CB 4.27Å; T268-L281 HydrophobicContact CG2-CD2 3.81Å; M271-L281 HydrophobicContact CE-CD2 4.07Å; I276-L281 HydrophobicContact CD1-CD2 3.73Å; I276-L281 HydrophobicContact CD1-CG 4.07Å; I276-L281 HydrophobicContact CG1-CG 4.33Å; I276-L281 HydrophobicContact CG2-CD1 4.11Å; I276-L281 HydrophobicContact CG2-CG 4.46Å; D277-L281 PolarHBondContact O-N 3.17Å; E278-L281 PolarHBondContact O-N 3.1Å; L281-K284 PolarHBondContact O-N 2.89Å; L281-F285 WeakPolarHBondContact O-CB 3.19Å; L281-F285 PolarHBondContact O-N 2.95Å; L281-V303 HydrophobicContact CB-CG1 3.79Å; L281-V303 HydrophobicContact CD1-CG1 4.19Å; L281-V327 HydrophobicContact CD1-CB 4.36Å; L281-V327 HydrophobicContact CD1-CG1 4.11Å; L281-V327 HydrophobicContact CD1-CG2 3.97Å
282	Y	98.8	Very high	97.4	Very high	75 Å²	75	49.4 Å²	49.4	29%	0.294	26%	0.264	S	S	.	.	H	α-helix	trans	-55.4	-53.5	171.8	178.4	-79.6	0	0	0	111.5	E278 A279 K284 F285 D286 P301 V303 N317	E278-Y282 WeakPolarHBondContact O-CB 3.25Å; E278-Y282 PolarHBondContact O-N 3.5Å; A279-Y282 WeakPolarHBondContact O-CB 3.49Å; Y282-K284 VanDerWaalsContact C-N 3.31Å; Y282-K284 PolarHBondContact O-N 3.25Å; Y282-F285 PolarHBondContact O-N 2.82Å; Y282-D286 PolarHBondContact O-N 2.8Å; Y282-P301 HydrophobicContact CD2-CB 4.06Å; Y282-P301 HydrophobicContact CD2-CG 4.15Å; Y282-P301 HydrophobicContact CE2-CB 4.16Å; Y282-P301 VanDerWaalsContact CE2-CD 3.46Å; Y282-P301 HydrophobicContact CE2-CG 3.89Å; Y282-V303 HydrophobicContact CD2-CG2 4.21Å; Y282-N317 WeakPolarHBondContact CD2-ND2 3.45Å
283	A	98.6	Very high	97.6	Very high	51 Å²	51	51 Å²	51	42%	0.421	28%	0.281	S	S	.	.	H	α-helix	trans	-63.8	-38.2	-176.6	0	0	0	0	0	111.8	A279 L280 F287	A279-A283 WeakPolarHBondContact O-CB 3.11Å; A279-A283 PolarHBondContact O-N 2.67Å; L280-A283 PolarHBondContact O-N 3.21Å; A283-F287 VanDerWaalsContact O-CB 3.23Å; A283-F287 WeakPolarHBondContact O-CB 3.49Å; A283-F287 PolarHBondContact O-N 3.46Å
284	K	98.3	Very high	97.9	Very high	40 Å²	40	45.2 Å²	45.2	17%	0.174	26%	0.256	C	S	.	.	H	α-helix	trans	-63.7	-46	174.6	177.4	60.6	167	-179.5	0	111.6	T268 M271 L280 L281 Y282 F287 E288	T268-K284 HydrophobicContact CG2-CG 4.4Å; M271-K284 HydrophobicContact CE-CB 3.33Å; M271-K284 HydrophobicContact CE-CD 4.37Å; M271-K284 HydrophobicContact CE-CG 3.61Å; M271-K284 HydrophobicContact SD-CB 3.84Å; M271-K284 HydrophobicContact SD-CD 3.77Å; M271-K284 HydrophobicContact SD-CG 3.66Å; L280-K284 WeakPolarHBondContact O-CB 3.32Å; L280-K284 PolarHBondContact O-N 3.28Å; L281-K284 PolarHBondContact O-N 2.89Å; Y282-K284 VanDerWaalsContact C-N 3.31Å; Y282-K284 PolarHBondContact O-N 3.25Å; K284-F287 PolarHBondContact O-N 3.45Å; K284-E288 HydrophobicContact CD-CG 4Å; K284-E288 WeakPolarHBondContact CE-OE1 3.3Å; K284-E288 HydrophobicContact CG-CG 4.49Å; K284-E288 IonicContact NZ-OE1 2.61Å; K284-E288 PolarHBondContact NZ-OE1 2.94Å; K284-E288 VanDerWaalsContact O-CG 3.26Å; K284-E288 WeakPolarHBondContact O-CG 3.42Å; K284-E288 PolarHBondContact O-N 3.27Å
285	F	98.8	Very high	98.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-47.6	178.9	-179.1	-99.1	0	0	0	111.8	T261 A264 F265 L281 Y282 F287 E288 C289 L297 P301 L329 G331	T261-F285 HydrophobicContact CG2-CE2 4.18Å; T261-F285 HydrophobicContact CG2-CZ 3.87Å; A264-F285 HydrophobicContact CB-CD2 3.74Å; A264-F285 HydrophobicContact CB-CE2 3.71Å; F265-F285 AromaticContact CD2-CE2 3.69Å; F265-F285 HydrophobicContact CD2-CE2 3.69Å; F265-F285 HydrophobicContact CD2-CZ 4.46Å; F265-F285 AromaticContact CE2-CE2 3.6Å; F265-F285 HydrophobicContact CE2-CE2 3.6Å; F265-F285 HydrophobicContact CE2-CZ 4.03Å; F265-F285 HydrophobicContact CG-CE2 4.3Å; F265-F285 HydrophobicContact CZ-CE2 4.19Å; L281-F285 WeakPolarHBondContact O-CB 3.19Å; L281-F285 PolarHBondContact O-N 2.95Å; Y282-F285 PolarHBondContact O-N 2.82Å; F285-F287 PolarHBondContact O-N 2.85Å; F285-E288 PolarHBondContact O-N 2.87Å; F285-C289 PolarHBondContact O-N 3.22Å; F285-C289 PolarHBondContact O-SG 2.75Å; F285-C289 VanDerWaalsContact O-SG 3.38Å; F285-L297 HydrophobicContact CD1-CD2 3.91Å; F285-L297 HydrophobicContact CE1-CD2 3.7Å; F285-P301 HydrophobicContact CD1-CG 4.17Å; F285-P301 HydrophobicContact CE1-CG 4.33Å; F285-L329 HydrophobicContact CB-CD1 4.23Å; F285-L329 HydrophobicContact CD1-CD2 4.42Å; F285-L329 HydrophobicContact CD2-CD2 4.01Å; F285-L329 HydrophobicContact CE2-CD2 4.11Å; F285-L329 HydrophobicContact CG-CD1 4.39Å; F285-L329 HydrophobicContact CG-CD2 4.16Å; F285-L329 HydrophobicContact CZ-CD2 4.35Å; F285-G331 WeakPolarHBondContact CZ-O 3.49Å
286	D	98.8	Very high	98	Very high	32 Å²	32	44.9 Å²	44.9	17%	0.171	24%	0.244	C	C	.	.	H	α-helix	trans	-59.2	-47.2	175	-172.1	21.3	0	0	0	111.8	Y282 E288 C289 R290 L297	Y282-D286 PolarHBondContact O-N 2.8Å; D286-E288 VanDerWaalsContact C-N 3.33Å; D286-E288 PolarHBondContact O-N 3.47Å; D286-C289 PolarHBondContact O-N 3.11Å; D286-R290 WeakPolarHBondContact O-CG 3.4Å; D286-R290 PolarHBondContact O-N 3.2Å; D286-R290 WeakPolarHBondContact OD1-CD 3.48Å; D286-R290 IonicContact OD1-CZ 3.21Å; D286-R290 IonicContact OD1-NE 2.68Å; D286-R290 PolarHBondContact OD1-NE 2.5Å; D286-R290 IonicContact OD1-NH2 2.97Å; D286-R290 IonicContact OD2-NE 3.14Å; D286-R290 PolarHBondContact OD2-NE 3.43Å; D286-R290 IonicContact OD2-NH2 3.04Å; D286-L297 HydrophobicContact CB-CD1 3.83Å; D286-L297 HydrophobicContact CB-CG 4.36Å; D286-L297 WeakPolarHBondContact OD1-CG 3.49Å
287	F	98.6	Very high	98.1	Very high	125 Å²	125	45.6 Å²	45.6	55%	0.548	25%	0.248	S	C	.	.	H	α-helix	trans	-55.2	-48.6	178	171.1	-94.5	0	0	0	111.7	A283 K284 F285 R290 A291	A283-F287 VanDerWaalsContact O-CB 3.23Å; A283-F287 WeakPolarHBondContact O-CB 3.49Å; A283-F287 PolarHBondContact O-N 3.46Å; K284-F287 PolarHBondContact O-N 3.45Å; F285-F287 PolarHBondContact O-N 2.85Å; F287-R290 PolarHBondContact O-N 2.82Å; F287-A291 HydrophobicContact CE1-CB 4.27Å; F287-A291 HydrophobicContact CZ-CB 4.33Å; F287-A291 WeakPolarHBondContact O-CB 3.46Å; F287-A291 PolarHBondContact O-N 3.11Å
288	E	98.6	Very high	98.1	Very high	16 Å²	16	44 Å²	44	8%	0.075	24%	0.242	C	C	.	.	H	α-helix	trans	-68.4	-40.3	-177.6	-66.5	-68.7	171.9	0	0	112.1	A264 K267 K284 F285 D286 R290 A291 H292	A264-E288 HydrophobicContact CB-CB 3.67Å; K267-E288 HydrophobicContact CB-CG 3.64Å; K267-E288 HydrophobicContact CG-CG 4.16Å; K284-E288 HydrophobicContact CD-CG 4Å; K284-E288 WeakPolarHBondContact CE-OE1 3.3Å; K284-E288 HydrophobicContact CG-CG 4.49Å; K284-E288 IonicContact NZ-OE1 2.61Å; K284-E288 PolarHBondContact NZ-OE1 2.94Å; K284-E288 VanDerWaalsContact O-CG 3.26Å; K284-E288 WeakPolarHBondContact O-CG 3.42Å; K284-E288 PolarHBondContact O-N 3.27Å; F285-E288 PolarHBondContact O-N 2.87Å; D286-E288 VanDerWaalsContact C-N 3.33Å; D286-E288 PolarHBondContact O-N 3.47Å; E288-R290 VanDerWaalsContact C-N 3.33Å; E288-R290 PolarHBondContact O-N 3.48Å; E288-A291 PolarHBondContact O-N 3.26Å; E288-H292 WeakPolarHBondContact O-CB 3.12Å; E288-H292 PolarHBondContact O-CD2 3.45Å; E288-H292 PolarHBondContact O-N 2.86Å; E288-H292 IonicContact OE2-CD2 3.9Å; E288-H292 IonicContact OE2-NE2 3.68Å
289	C	98.8	Very high	98	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-55.3	-50.1	172.8	-75.2	0	0	0	0	110.9	A264 F285 D286 H292 G293 A294 L297 C333	A264-C289 VanDerWaalsContact CB-SG 3.5Å; F285-C289 PolarHBondContact O-N 3.22Å; F285-C289 PolarHBondContact O-SG 2.75Å; F285-C289 VanDerWaalsContact O-SG 3.38Å; D286-C289 PolarHBondContact O-N 3.11Å; C289-H292 PolarHBondContact O-N 2.8Å; C289-G293 PolarHBondContact O-N 3.12Å; C289-A294 HydrophobicContact CB-CB 4.15Å; C289-A294 WeakPolarHBondContact O-CB 3.49Å; C289-A294 PolarHBondContact O-N 3.42Å; C289-L297 HydrophobicContact CB-CD2 4.29Å; C289-C333 HydrophobicContact CB-CB 4.06Å
290	R	98.4	Very high	98	Very high	119 Å²	119	47.7 Å²	47.7	45%	0.449	26%	0.258	S	S	.	.	H	α-helix	trans	-67.5	-43.2	-180	-68.1	176.2	-178.3	-75.7	-1.9	112.7	D286 F287 E288 H292 G293 N295	D286-R290 WeakPolarHBondContact O-CG 3.4Å; D286-R290 PolarHBondContact O-N 3.2Å; D286-R290 WeakPolarHBondContact OD1-CD 3.48Å; D286-R290 IonicContact OD1-CZ 3.21Å; D286-R290 IonicContact OD1-NE 2.68Å; D286-R290 PolarHBondContact OD1-NE 2.5Å; D286-R290 IonicContact OD1-NH2 2.97Å; D286-R290 IonicContact OD2-NE 3.14Å; D286-R290 PolarHBondContact OD2-NE 3.43Å; D286-R290 IonicContact OD2-NH2 3.04Å; F287-R290 PolarHBondContact O-N 2.82Å; E288-R290 VanDerWaalsContact C-N 3.33Å; E288-R290 PolarHBondContact O-N 3.48Å; R290-H292 PolarHBondContact O-N 2.78Å; R290-G293 PolarHBondContact O-N 3.38Å; R290-N295 PolarHBondContact NH1-O 3.35Å
291	A	97.9	Very high	98	Very high	62 Å²	62	43.5 Å²	43.5	51%	0.512	24%	0.236	S	C	.	.	H	α-helix	trans	-61.9	-29.2	178.7	0	0	0	0	0	112	F287 E288	F287-A291 HydrophobicContact CE1-CB 4.27Å; F287-A291 HydrophobicContact CZ-CB 4.33Å; F287-A291 WeakPolarHBondContact O-CB 3.46Å; F287-A291 PolarHBondContact O-N 3.11Å; E288-A291 PolarHBondContact O-N 3.26Å
292	H	97.4	Very high	98	Very high	63 Å²	63	43.9 Å²	43.9	29%	0.292	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	4.3	175.1	-74.3	-56.4	0	0	0	114.7	I260 E288 C289 R290	I260-H292 HydrophobicContact CB-CB 4.41Å; I260-H292 HydrophobicContact CG1-CB 4.15Å; I260-H292 HydrophobicContact CG2-CB 3.84Å; E288-H292 WeakPolarHBondContact O-CB 3.12Å; E288-H292 PolarHBondContact O-CD2 3.45Å; E288-H292 PolarHBondContact O-N 2.86Å; E288-H292 IonicContact OE2-CD2 3.9Å; E288-H292 IonicContact OE2-NE2 3.68Å; C289-H292 PolarHBondContact O-N 2.8Å; R290-H292 PolarHBondContact O-N 2.78Å
293	G	96.2	Very high	98	Very high	36 Å²	36	40.3 Å²	40.3	37%	0.371	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.6	6.6	168.9	0	0	0	0	0	115.7	C289 R290 Y335	C289-G293 PolarHBondContact O-N 3.12Å; R290-G293 PolarHBondContact O-N 3.38Å; G293-Y335 WeakPolarHBondContact O-CD2 3.13Å
294	A	98.2	Very high	98	Very high	9 Å²	9	37.9 Å²	37.9	7%	0.074	20%	0.204	C	C	.	.			trans	-62.9	143.9	171	0	0	0	0	0	111.3	I260 C289 C333	I260-A294 HydrophobicContact CG2-CB 4.2Å; C289-A294 HydrophobicContact CB-CB 4.15Å; C289-A294 WeakPolarHBondContact O-CB 3.49Å; C289-A294 PolarHBondContact O-N 3.42Å; A294-C333 HydrophobicContact CB-CB 3.59Å
295	N	95.6	Very high	98.1	Very high	50 Å²	50	36 Å²	36	27%	0.267	20%	0.196	S	C	.	.	S	Bend	trans	-73.7	-46.8	175.4	-57.6	110.3	0	0	0	110.4	R290 E334 F336	R290-N295 PolarHBondContact NH1-O 3.35Å; N295-E334 PolarHBondContact N-O 3.37Å; N295-F336 WeakPolarHBondContact OD1-CA 3.34Å; N295-F336 PolarHBondContact OD1-N 3.22Å
296	F	94.9	Very high	98.1	Very high	62 Å²	62	36.4 Å²	36.4	27%	0.272	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	168.9	-175.7	-51.5	-69.1	0	0	0	110.9	P123 C333 E334	P123-F296 HydrophobicContact CB-CE1 3.87Å; P123-F296 HydrophobicContact CB-CZ 4.35Å; F296-C333 WeakPolarHBondContact O-CA 3.45Å; F296-E334 HydrophobicContact CB-CB 4.43Å; F296-E334 PolarHBondContact O-N 3Å
297	L	98.5	Very high	98.1	Very high	28 Å²	28	36.8 Å²	36.8	15%	0.147	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	138.8	154	-66.2	173.5	0	0	0	108.5	F285 D286 C289 Y299 P301 G332	F285-L297 HydrophobicContact CD1-CD2 3.91Å; F285-L297 HydrophobicContact CE1-CD2 3.7Å; D286-L297 HydrophobicContact CB-CD1 3.83Å; D286-L297 HydrophobicContact CB-CG 4.36Å; D286-L297 WeakPolarHBondContact OD1-CG 3.49Å; C289-L297 HydrophobicContact CB-CD2 4.29Å; L297-Y299 VanDerWaalsContact C-N 3.31Å; L297-Y299 PolarHBondContact O-N 2.78Å; L297-P301 HydrophobicContact CD1-CG 3.74Å; L297-P301 HydrophobicContact CD2-CG 4.39Å; L297-G332 WeakPolarHBondContact CA-O 3.49Å
298	A	98.3	Very high	98.1	Very high	24 Å²	24	33.4 Å²	33.4	20%	0.198	19%	0.186	C	C	.	.	S	Bend	trans	-71.6	-28.4	-176.3	0	0	0	0	0	112.8	G332 V339 V430	A298-G332 PolarHBondContact N-O 3.01Å; A298-V339 HydrophobicContact CB-CB 3.67Å; A298-V339 HydrophobicContact CB-CG1 3.54Å; A298-V430 HydrophobicContact CB-CG2 3.88Å
299	Y	98.4	Very high	98.1	Very high	40 Å²	40	32.8 Å²	32.8	16%	0.157	18%	0.184	C	C	.	.	S	Bend	trans	-155.4	163.1	178.7	51.4	-81	0	0	0	108.4	L297 P301 D330 G331 G332 D341 V430	L297-Y299 VanDerWaalsContact C-N 3.31Å; L297-Y299 PolarHBondContact O-N 2.78Å; Y299-P301 WeakPolarHBondContact O-CD 3.45Å; Y299-D330 VanDerWaalsContact CE2-OD1 3.23Å; Y299-D330 WeakPolarHBondContact CE2-OD1 3.34Å; Y299-D330 VanDerWaalsContact CZ-OD1 3.25Å; Y299-D330 PolarHBondContact OH-OD1 2.91Å; Y299-G331 VanDerWaalsContact OH-CA 3.24Å; Y299-G331 WeakPolarHBondContact OH-CA 3.38Å; Y299-G331 PolarHBondContact OH-N 2.85Å; Y299-G331 VanDerWaalsContact OH-N 3.14Å; Y299-G332 PolarHBondContact OH-N 3.42Å; Y299-D341 HydrophobicContact CE1-CB 4.39Å; Y299-D341 VanDerWaalsContact CZ-OD1 3.31Å; Y299-D341 PolarHBondContact OH-OD1 3.19Å; Y299-V430 HydrophobicContact CD1-CB 4.38Å; Y299-V430 HydrophobicContact CD1-CG1 3.96Å; Y299-V430 HydrophobicContact CD1-CG2 3.49Å; Y299-V430 VanDerWaalsContact CD1-CG2 3.49Å; Y299-V430 HydrophobicContact CE1-CG1 4.18Å; Y299-V430 HydrophobicContact CE1-CG2 4.24Å; Y299-V430 HydrophobicContact CG-CG2 4.3Å
300	P	98.3	Very high	98.1	Very high	81 Å²	81	33.8 Å²	33.8	53%	0.526	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-61.8	116.2	172.4	-20.1	32.7	0	0	0	110.3	I315	P300-I315 HydrophobicContact CB-CG2 4.26Å
301	P	98.6	Very high	98.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-58.6	143.6	179.4	-27.3	33.3	0	0	0	112.7	Y282 F285 L297 Y299 V303 N317 D330	Y282-P301 HydrophobicContact CD2-CB 4.06Å; Y282-P301 HydrophobicContact CD2-CG 4.15Å; Y282-P301 HydrophobicContact CE2-CB 4.16Å; Y282-P301 VanDerWaalsContact CE2-CD 3.46Å; Y282-P301 HydrophobicContact CE2-CG 3.89Å; F285-P301 HydrophobicContact CD1-CG 4.17Å; F285-P301 HydrophobicContact CE1-CG 4.33Å; L297-P301 HydrophobicContact CD1-CG 3.74Å; L297-P301 HydrophobicContact CD2-CG 4.39Å; Y299-P301 WeakPolarHBondContact O-CD 3.45Å; P301-V303 HydrophobicContact CB-CG2 4.31Å; P301-N317 PolarHBondContact O-ND2 3.44Å; P301-D330 CarbonylContact C-O 3.53Å; P301-D330 WeakPolarHBondContact CA-O 3.47Å; P301-D330 WeakPolarHBondContact CB-O 3.23Å
302	V	98.9	Very high	98	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.055	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124.1	162.7	172.6	0	0	0	0	107.2	A304 Y314 I315 L328 L329 D330	V302-A304 HydrophobicContact CG1-CB 3.87Å; V302-Y314 VanDerWaalsContact CA-O 3.31Å; V302-Y314 WeakPolarHBondContact CA-O 3.44Å; V302-Y314 WeakPolarHBondContact CG1-O 3.03Å; V302-I315 HydrophobicContact CG2-CG2 4.43Å; V302-L328 HydrophobicContact CG1-CD2 4.09Å; V302-L329 CarbonylContact O-C 3.59Å; V302-L329 VanDerWaalsContact O-CA 3.22Å; V302-L329 WeakPolarHBondContact O-CA 3.42Å; V302-D330 HydrophobicContact CB-CB 3.93Å; V302-D330 HydrophobicContact CG2-CB 4.41Å; V302-D330 PolarHBondContact N-O 3.41Å; V302-D330 PolarHBondContact O-N 3.16Å
303	V	98.8	Very high	98	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	91.4	172.5	-170	0	0	0	0	107.8	E278 L281 Y282 P301 Y314 N317 V327 L329	E278-V303 HydrophobicContact CB-CB 4.3Å; E278-V303 HydrophobicContact CB-CG1 4.01Å; E278-V303 HydrophobicContact CG-CG1 4.26Å; E278-V303 VanDerWaalsContact CG-O 3.23Å; E278-V303 WeakPolarHBondContact CG-O 3.43Å; L281-V303 HydrophobicContact CB-CG1 3.79Å; L281-V303 HydrophobicContact CD1-CG1 4.19Å; Y282-V303 HydrophobicContact CD2-CG2 4.21Å; P301-V303 HydrophobicContact CB-CG2 4.31Å; V303-Y314 WeakPolarHBondContact O-CE1 3.45Å; V303-N317 HydrophobicContact CB-CB 4.33Å; V303-N317 PolarHBondContact N-OD1 2.9Å; V303-N317 PolarHBondContact O-OD1 2.96Å; V303-V327 HydrophobicContact CG1-CG2 3.92Å; V303-L329 HydrophobicContact CG1-CD1 4.44Å; V303-L329 HydrophobicContact CG2-CD1 4.07Å; V303-L329 HydrophobicContact CG2-CG 4.09Å
304	A	98.8	Very high	98.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	108.2	-166	0	0	0	0	0	111.5	V302 R308 A309 Y314 V327 L328	V302-A304 HydrophobicContact CG1-CB 3.87Å; A304-R308 HydrophobicContact CB-CB 4.3Å; A304-A309 HydrophobicContact CB-CB 4.42Å; A304-Y314 HydrophobicContact CB-CD1 3.75Å; A304-Y314 HydrophobicContact CB-CG 4.14Å; A304-V327 WeakPolarHBondContact O-CA 3.33Å; A304-L328 PolarHBondContact N-O 3.03Å; A304-L328 PolarHBondContact O-N 3.1Å
305	G	98.7	Very high	98.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	146.4	176.4	0	0	0	0	0	114.2	E278 N307 R308 M326	E278-G305 PolarHBondContact OE1-N 2.76Å; G305-N307 PolarHBondContact O-N 2.93Å; G305-R308 VanDerWaalsContact O-CB 3.31Å; G305-R308 WeakPolarHBondContact O-CB 3.26Å; G305-R308 PolarHBondContact O-N 3.35Å; G305-R308 VanDerWaalsContact O-N 3.14Å; G305-R308 PolarHBondContact O-NE 3.4Å; G305-R308 PolarHBondContact O-NH1 2.81Å; G305-R308 PolarHBondContact O-NH2 3.44Å; G305-M326 CarbonylContact C-O 3.58Å; G305-M326 WeakPolarHBondContact CA-O 3.33Å
306	G	98.6	Very high	98.2	Very high	9 Å²	9	42.3 Å²	42.3	9%	0.093	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	54.9	-136.5	175.4	0	0	0	0	0	112.6	R308 A309 M326 G469	G306-R308 PolarHBondContact O-N 3.46Å; G306-A309 WeakPolarHBondContact O-CB 3.12Å; G306-A309 PolarHBondContact O-N 3.47Å; G306-A309 VanDerWaalsContact O-N 3.11Å; G306-M326 PolarHBondContact N-O 3.04Å; G306-G469 CarbonylContact C-O 3.53Å
307	N	98.7	Very high	98.4	Very high	39 Å²	39	40 Å²	40	21%	0.209	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-60.4	-19.8	-179.5	-174.5	48.4	0	0	0	113.7	G305 A309 N310 E458 G469	G305-N307 PolarHBondContact O-N 2.93Å; N307-A309 PolarHBondContact O-N 2.96Å; N307-N310 VanDerWaalsContact O-CB 3.3Å; N307-N310 WeakPolarHBondContact O-CB 3.3Å; N307-N310 PolarHBondContact O-N 3.46Å; N307-N310 PolarHBondContact O-ND2 3.13Å; N307-N310 PolarHBondContact OD1-ND2 3.34Å; N307-E458 HydrophobicContact CB-CB 4.27Å; N307-E458 WeakPolarHBondContact ND2-CG 3.48Å; N307-E458 PolarHBondContact ND2-OE1 2.89Å; N307-E458 PolarHBondContact OD1-N 3.19Å; N307-G469 VanDerWaalsContact CA-O 3.32Å; N307-G469 WeakPolarHBondContact CA-O 3.33Å; N307-G469 PolarHBondContact N-O 3.02Å
308	R	98.8	Very high	98.4	Very high	54 Å²	54	42.7 Å²	42.7	20%	0.204	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-66.8	-22.1	179.1	-60.2	173.7	-63.6	-78.8	5.6	112	E278 A304 G305 G306 N310 T311 Y314 I320	E278-R308 IonicContact OE1-CZ 2.82Å; E278-R308 IonicContact OE1-NE 3.82Å; E278-R308 PolarHBondContact OE1-NE 2.95Å; E278-R308 IonicContact OE1-NH2 3.23Å; E278-R308 PolarHBondContact OE1-NH2 3.43Å; E278-R308 IonicContact OE2-NE 3.47Å; A304-R308 HydrophobicContact CB-CB 4.3Å; G305-R308 VanDerWaalsContact O-CB 3.31Å; G305-R308 WeakPolarHBondContact O-CB 3.26Å; G305-R308 PolarHBondContact O-N 3.35Å; G305-R308 VanDerWaalsContact O-N 3.14Å; G305-R308 PolarHBondContact O-NE 3.4Å; G305-R308 PolarHBondContact O-NH1 2.81Å; G305-R308 PolarHBondContact O-NH2 3.44Å; G306-R308 PolarHBondContact O-N 3.46Å; R308-N310 PolarHBondContact O-N 3.01Å; R308-T311 WeakPolarHBondContact O-CB 3.5Å; R308-T311 PolarHBondContact O-N 3.25Å; R308-Y314 HydrophobicContact CB-CD2 4.26Å; R308-Y314 HydrophobicContact CB-CE2 4.2Å; R308-Y314 HydrophobicContact CG-CE2 4.29Å; R308-I320 PolarHBondContact NH2-O 3.08Å; R308-I320 VanDerWaalsContact NH2-O 3.11Å
309	A	98.7	Very high	98.4	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.033	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-57.6	-19.4	171.2	0	0	0	0	0	113	A304 G306 N307 T311 L328 Y455	A304-A309 HydrophobicContact CB-CB 4.42Å; G306-A309 WeakPolarHBondContact O-CB 3.12Å; G306-A309 PolarHBondContact O-N 3.47Å; G306-A309 VanDerWaalsContact O-N 3.11Å; N307-A309 PolarHBondContact O-N 2.96Å; A309-T311 VanDerWaalsContact C-N 3.28Å; A309-T311 PolarHBondContact O-N 2.86Å; A309-L328 HydrophobicContact CB-CB 3.85Å; A309-L328 HydrophobicContact CB-CD1 4.26Å; A309-Y455 VanDerWaalsContact O-CD1 3.27Å; A309-Y455 WeakPolarHBondContact O-CD1 3.41Å
310	N	98.7	Very high	98.4	Very high	21 Å²	21	47.2 Å²	47.2	11%	0.112	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-80.8	-2.7	174.4	-59.5	-46.6	0	0	0	113.8	N307 R308 Y455 I456 L470 G471	N307-N310 VanDerWaalsContact O-CB 3.3Å; N307-N310 WeakPolarHBondContact O-CB 3.3Å; N307-N310 PolarHBondContact O-N 3.46Å; N307-N310 PolarHBondContact O-ND2 3.13Å; N307-N310 PolarHBondContact OD1-ND2 3.34Å; R308-N310 PolarHBondContact O-N 3.01Å; N310-Y455 VanDerWaalsContact OD1-C 3.26Å; N310-Y455 WeakPolarHBondContact OD1-CA 3.09Å; N310-Y455 VanDerWaalsContact OD1-CB 3.25Å; N310-Y455 WeakPolarHBondContact OD1-CB 3.47Å; N310-I456 PolarHBondContact ND2-O 3.37Å; N310-I456 PolarHBondContact OD1-N 3.5Å; N310-L470 PolarHBondContact OD1-O 3.38Å; N310-G471 WeakPolarHBondContact OD1-CA 3.5Å
311	T	98.6	Very high	98.4	Very high	79 Å²	79	43.4 Å²	43.4	49%	0.485	22%	0.222	S	C	.	.	S	Bend	trans	-99.2	101.7	170.9	-60.1	0	0	0	0	109.3	R308 A309 H313 Y314	R308-T311 WeakPolarHBondContact O-CB 3.5Å; R308-T311 PolarHBondContact O-N 3.25Å; A309-T311 VanDerWaalsContact C-N 3.28Å; A309-T311 PolarHBondContact O-N 2.86Å; T311-H313 VanDerWaalsContact C-N 3.35Å; T311-H313 PolarHBondContact O-N 3.25Å; T311-Y314 HydrophobicContact CG2-CD2 4.37Å; T311-Y314 VanDerWaalsContact O-CB 3.26Å; T311-Y314 WeakPolarHBondContact O-CB 3.37Å; T311-Y314 PolarHBondContact O-N 3.2Å; T311-Y314 VanDerWaalsContact O-N 3.11Å
312	L	96.3	Very high	98.4	Very high	50 Å²	50	48.1 Å²	48.1	26%	0.262	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-39.6	-165.8	-54.7	176.1	0	0	0	114.9	P419 Y455	L312-P419 HydrophobicContact CD1-CG 3.64Å; L312-P419 HydrophobicContact CD2-CG 4.43Å; L312-P419 HydrophobicContact CG-CG 4.5Å; L312-Y455 HydrophobicContact CD2-CD1 4Å; L312-Y455 HydrophobicContact CD2-CD2 3.8Å; L312-Y455 HydrophobicContact CD2-CE1 3.66Å; L312-Y455 HydrophobicContact CD2-CE2 3.5Å; L312-Y455 VanDerWaalsContact CD2-CE2 3.5Å; L312-Y455 HydrophobicContact CD2-CG 4.05Å
313	H	97.1	Very high	98.4	Very high	161 Å²	161	52.4 Å²	52.4	75%	0.745	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	43.3	178.7	-60.8	164.1	0	0	0	111.2	T311 I315	T311-H313 VanDerWaalsContact C-N 3.35Å; T311-H313 PolarHBondContact O-N 3.25Å; H313-I315 PolarHBondContact O-N 3.01Å; H313-I315 VanDerWaalsContact O-N 3.08Å
314	Y	98.4	Very high	98.3	Very high	24 Å²	24	54 Å²	54	9%	0.094	28%	0.282	C	S	.	.			trans	-70.3	100.3	177.3	-177.5	-91.9	0	0	0	110.8	E278 V302 V303 A304 R308 T311 N316 N317 Q319	E278-Y314 WeakPolarHBondContact OE2-CE1 3.03Å; E278-Y314 PolarHBondContact OE2-OH 2.89Å; V302-Y314 VanDerWaalsContact CA-O 3.31Å; V302-Y314 WeakPolarHBondContact CA-O 3.44Å; V302-Y314 WeakPolarHBondContact CG1-O 3.03Å; V303-Y314 WeakPolarHBondContact O-CE1 3.45Å; A304-Y314 HydrophobicContact CB-CD1 3.75Å; A304-Y314 HydrophobicContact CB-CG 4.14Å; R308-Y314 HydrophobicContact CB-CD2 4.26Å; R308-Y314 HydrophobicContact CB-CE2 4.2Å; R308-Y314 HydrophobicContact CG-CE2 4.29Å; T311-Y314 HydrophobicContact CG2-CD2 4.37Å; T311-Y314 VanDerWaalsContact O-CB 3.26Å; T311-Y314 WeakPolarHBondContact O-CB 3.37Å; T311-Y314 PolarHBondContact O-N 3.2Å; T311-Y314 VanDerWaalsContact O-N 3.11Å; Y314-N316 HydrophobicContact CE1-CB 4.49Å; Y314-N316 HydrophobicContact CE2-CB 4.1Å; Y314-N317 PolarHBondContact O-OD1 3.04Å; Y314-Q319 WeakPolarHBondContact OH-CG 3.37Å
315	I	97.7	Very high	98.2	Very high	95 Å²	95	56.7 Å²	56.7	49%	0.487	29%	0.294	S	S	.	.			trans	-112.9	5.3	-178.7	61.8	168.9	0	0	0	113.1	P300 V302 H313 N317	P300-I315 HydrophobicContact CB-CG2 4.26Å; V302-I315 HydrophobicContact CG2-CG2 4.43Å; H313-I315 PolarHBondContact O-N 3.01Å; H313-I315 VanDerWaalsContact O-N 3.08Å; I315-N317 PolarHBondContact O-ND2 2.82Å
316	N	98.4	Very high	98.3	Very high	109 Å²	109	57 Å²	57	58%	0.583	30%	0.296	S	S	*	.			trans	-70.1	-36.3	-179.3	-74.4	40.4	0	0	0	111.5	Y314 N318	Y314-N316 HydrophobicContact CE1-CB 4.49Å; Y314-N316 HydrophobicContact CE2-CB 4.1Å; N316-N318 VanDerWaalsContact C-N 3.3Å; N316-N318 WeakPolarHBondContact O-CB 3.39Å; N316-N318 PolarHBondContact O-N 3.27Å; N316-N318 VanDerWaalsContact O-N 3.16Å
317	N	98.3	Very high	98.3	Very high	12 Å²	12	56.6 Å²	56.6	6%	0.064	29%	0.291	C	S	.	.			trans	44.1	50.9	170.2	-53.8	-24.2	0	0	0	113.2	E278 A279 Y282 P301 V303 Y314 I315	E278-N317 HydrophobicContact CB-CB 4.35Å; A279-N317 WeakPolarHBondContact CA-O 3.2Å; A279-N317 WeakPolarHBondContact CB-O 3.47Å; A279-N317 PolarHBondContact N-O 2.54Å; Y282-N317 WeakPolarHBondContact CD2-ND2 3.45Å; P301-N317 PolarHBondContact O-ND2 3.44Å; V303-N317 HydrophobicContact CB-CB 4.33Å; V303-N317 PolarHBondContact N-OD1 2.9Å; V303-N317 PolarHBondContact O-OD1 2.96Å; Y314-N317 PolarHBondContact O-OD1 3.04Å; I315-N317 PolarHBondContact O-ND2 2.82Å
318	N	98.5	Very high	98.3	Very high	85 Å²	85	54.8 Å²	54.8	46%	0.455	28%	0.282	S	S	.	.			trans	-141.4	18.2	-168.1	68.9	10.7	0	0	0	114	E278 N316	E278-N318 PolarHBondContact OE2-N 2.86Å; E278-N318 VanDerWaalsContact OE2-N 3.17Å; N316-N318 VanDerWaalsContact C-N 3.3Å; N316-N318 WeakPolarHBondContact O-CB 3.39Å; N316-N318 PolarHBondContact O-N 3.27Å; N316-N318 VanDerWaalsContact O-N 3.16Å
319	Q	98.7	Very high	98.3	Very high	91 Å²	91	52.2 Å²	52.2	43%	0.425	27%	0.272	S	S	.	.	S	Bend	trans	-111.4	159.5	176.8	-60.2	-60.1	-48	0	0	111.2	E278 Y314	E278-Q319 VanDerWaalsContact CG-O 3.28Å; E278-Q319 WeakPolarHBondContact CG-O 3.36Å; E278-Q319 PolarHBondContact N-O 3.44Å; E278-Q319 WeakPolarHBondContact OE2-CB 3.42Å; E278-Q319 PolarHBondContact OE2-N 3.39Å; Y314-Q319 WeakPolarHBondContact OH-CG 3.37Å
320	I	98.7	Very high	98.3	Very high	69 Å²	69	52.9 Å²	52.9	35%	0.354	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	126.3	170.2	-56.8	-57.4	0	0	0	108.9	D275 D277 R308 K322	D275-I320 HydrophobicContact CB-CG2 3.97Å; D277-I320 HydrophobicContact CB-CD1 4.01Å; R308-I320 PolarHBondContact NH2-O 3.08Å; R308-I320 VanDerWaalsContact NH2-O 3.11Å; I320-K322 HydrophobicContact CG2-CD 4.2Å
321	V	98.6	Very high	98.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.3	164	-162.5	0	0	0	0	108.1	D275 I276 E278 E325 V348	D275-V321 WeakPolarHBondContact CA-O 3.48Å; I276-V321 HydrophobicContact CG2-CB 4.15Å; I276-V321 HydrophobicContact CG2-CG2 4.46Å; I276-V321 PolarHBondContact N-O 2.97Å; I276-V321 PolarHBondContact O-N 3.22Å; E278-V321 HydrophobicContact CG-CG2 3.59Å; V321-E325 HydrophobicContact CG1-CB 3.89Å; V321-V348 HydrophobicContact CB-CG1 3.97Å; V321-V348 HydrophobicContact CB-CG2 4.45Å; V321-V348 HydrophobicContact CG1-CB 4.29Å; V321-V348 HydrophobicContact CG1-CG1 3.45Å; V321-V348 VanDerWaalsContact CG1-CG1 3.45Å; V321-V348 HydrophobicContact CG1-CG2 3.9Å
322	K	98.5	Very high	98.3	Very high	99 Å²	99	48.1 Å²	48.1	43%	0.43	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-83	148.8	-174.2	-63.3	-67.4	171	-174.8	0	111.8	D275 I320 G324 E325 V348	D275-K322 WeakPolarHBondContact OD1-CA 3.32Å; D275-K322 VanDerWaalsContact OD2-CD 3.26Å; D275-K322 WeakPolarHBondContact OD2-CD 3.49Å; D275-K322 IonicContact OD2-NZ 2.79Å; D275-K322 PolarHBondContact OD2-NZ 3.32Å; I320-K322 HydrophobicContact CG2-CD 4.2Å; K322-G324 PolarHBondContact O-N 2.86Å; K322-G324 VanDerWaalsContact O-N 3.17Å; K322-E325 HydrophobicContact CB-CG 4Å; K322-E325 PolarHBondContact N-OE2 2.78Å; K322-E325 VanDerWaalsContact O-CB 3.32Å; K322-E325 WeakPolarHBondContact O-CB 3.34Å; K322-E325 PolarHBondContact O-N 3.13Å; K322-V348 VanDerWaalsContact O-CG2 3.27Å; K322-V348 WeakPolarHBondContact O-CG2 3.42Å
323	N	97.8	Very high	98.4	Very high	99 Å²	99	45.8 Å²	45.8	53%	0.529	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	124.1	171.2	177.4	47.7	0	0	0	110.8	D275 N349	D275-N323 PolarHBondContact OD1-N 2.84Å; N323-N349 WeakPolarHBondContact OD1-CB 3.5Å; N323-N349 PolarHBondContact OD1-ND2 3.35Å
324	G	96.8	Very high	98.5	Very high	34 Å²	34	38.9 Å²	38.9	35%	0.351	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	-10.7	-176.3	0	0	0	0	0	114.8	K322 N349 Q356	K322-G324 PolarHBondContact O-N 2.86Å; K322-G324 VanDerWaalsContact O-N 3.17Å; G324-N349 WeakPolarHBondContact CA-ND2 3.39Å; G324-N349 PolarHBondContact N-ND2 3.27Å; G324-Q356 PolarHBondContact O-NE2 3.4Å
325	E	98.6	Very high	98.5	Very high	56 Å²	56	39.9 Å²	39.9	26%	0.262	21%	0.206	S	C	.	.			trans	-78.5	162.9	167.4	-65.1	-176	142.1	0	0	111.3	V321 K322 P347 V348	V321-E325 HydrophobicContact CG1-CB 3.89Å; K322-E325 HydrophobicContact CB-CG 4Å; K322-E325 PolarHBondContact N-OE2 2.78Å; K322-E325 VanDerWaalsContact O-CB 3.32Å; K322-E325 WeakPolarHBondContact O-CB 3.34Å; K322-E325 PolarHBondContact O-N 3.13Å; E325-P347 WeakPolarHBondContact O-CA 3.43Å; E325-V348 PolarHBondContact O-N 2.74Å
326	M	98.8	Very high	98.4	Very high	7 Å²	7	36.3 Å²	36.3	3%	0.034	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	157	164.1	-62.9	-170.3	-60.6	0	0	110.5	G305 G306 T345 W346 P347 F352 Q356 L470 V472	G305-M326 CarbonylContact C-O 3.58Å; G305-M326 WeakPolarHBondContact CA-O 3.33Å; G306-M326 PolarHBondContact N-O 3.04Å; M326-T345 HydrophobicContact CB-CG2 3.92Å; M326-T345 HydrophobicContact CE-CG2 4.03Å; M326-T345 HydrophobicContact SD-CG2 3.96Å; M326-W346 CarbonylContact C-O 3.49Å; M326-W346 WeakPolarHBondContact CA-O 3.28Å; M326-W346 WeakPolarHBondContact CB-O 3.27Å; M326-P347 HydrophobicContact CG-CB 4.38Å; M326-F352 HydrophobicContact SD-CD1 4.21Å; M326-F352 HydrophobicContact SD-CE1 4Å; M326-Q356 HydrophobicContact CE-CB 4.31Å; M326-Q356 HydrophobicContact CE-CG 4.04Å; M326-Q356 HydrophobicContact CG-CB 4.42Å; M326-Q356 HydrophobicContact CG-CG 3.92Å; M326-Q356 HydrophobicContact SD-CB 3.76Å; M326-Q356 HydrophobicContact SD-CG 3.78Å; M326-L470 HydrophobicContact CE-CB 4.43Å; M326-L470 HydrophobicContact CE-CD2 4.24Å; M326-V472 HydrophobicContact CE-CG2 3.59Å
327	V	98.9	Very high	98.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.9	163.6	62.7	0	0	0	0	108.7	L281 V303 A304 T345 W346 V348	L281-V327 HydrophobicContact CD1-CB 4.36Å; L281-V327 HydrophobicContact CD1-CG1 4.11Å; L281-V327 HydrophobicContact CD1-CG2 3.97Å; V303-V327 HydrophobicContact CG1-CG2 3.92Å; A304-V327 WeakPolarHBondContact O-CA 3.33Å; V327-T345 CarbonylContact O-C 3.39Å; V327-T345 VanDerWaalsContact O-CA 3.25Å; V327-T345 WeakPolarHBondContact O-CA 3.36Å; V327-T345 WeakPolarHBondContact O-CG2 3.31Å; V327-W346 HydrophobicContact CG1-CD2 3.64Å; V327-W346 HydrophobicContact CG1-CE3 4.11Å; V327-W346 HydrophobicContact CG1-CG 4.2Å; V327-W346 HydrophobicContact CG1-CH2 3.9Å; V327-W346 HydrophobicContact CG1-CZ2 3.38Å; V327-W346 HydrophobicContact CG1-CZ3 4.22Å; V327-W346 PolarHBondContact N-O 2.84Å; V327-W346 PolarHBondContact O-N 2.97Å; V327-V348 HydrophobicContact CB-CG1 3.79Å; V327-V348 HydrophobicContact CG1-CG1 3.65Å
328	L	98.9	Very high	98.2	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	113.7	165.2	-176.6	161.6	0	0	0	106.9	V302 A304 A309 D330 T343 T345 Y455 R473	V302-L328 HydrophobicContact CG1-CD2 4.09Å; A304-L328 PolarHBondContact N-O 3.03Å; A304-L328 PolarHBondContact O-N 3.1Å; A309-L328 HydrophobicContact CB-CB 3.85Å; A309-L328 HydrophobicContact CB-CD1 4.26Å; L328-D330 HydrophobicContact CD2-CB 4.29Å; L328-T343 HydrophobicContact CD2-CG2 3.73Å; L328-T343 HydrophobicContact CG-CG2 3.94Å; L328-T345 HydrophobicContact CB-CG2 4.41Å; L328-Y455 HydrophobicContact CD1-CE1 4.12Å; L328-R473 HydrophobicContact CD1-CB 3.86Å
329	L	98.9	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118	171.1	-166.4	156.7	0	0	0	109.2	F265 T268 F285 V302 V303 T343 R344 W346	F265-L329 HydrophobicContact CD1-CD2 4.49Å; F265-L329 HydrophobicContact CE1-CB 4.04Å; F265-L329 HydrophobicContact CE1-CD2 3.55Å; F265-L329 HydrophobicContact CE1-CG 4.3Å; F265-L329 WeakPolarHBondContact CE1-O 3.4Å; F265-L329 HydrophobicContact CE2-CD2 4.27Å; F265-L329 HydrophobicContact CZ-CD2 3.4Å; F265-L329 WeakPolarHBondContact CZ-O 3.46Å; T268-L329 HydrophobicContact CG2-CD1 4.08Å; F285-L329 HydrophobicContact CB-CD1 4.23Å; F285-L329 HydrophobicContact CD1-CD2 4.42Å; F285-L329 HydrophobicContact CD2-CD2 4.01Å; F285-L329 HydrophobicContact CE2-CD2 4.11Å; F285-L329 HydrophobicContact CG-CD1 4.39Å; F285-L329 HydrophobicContact CG-CD2 4.16Å; F285-L329 HydrophobicContact CZ-CD2 4.35Å; V302-L329 CarbonylContact O-C 3.59Å; V302-L329 VanDerWaalsContact O-CA 3.22Å; V302-L329 WeakPolarHBondContact O-CA 3.42Å; V303-L329 HydrophobicContact CG1-CD1 4.44Å; V303-L329 HydrophobicContact CG2-CD1 4.07Å; V303-L329 HydrophobicContact CG2-CG 4.09Å; L329-T343 WeakPolarHBondContact O-CA 3.45Å; L329-R344 PolarHBondContact N-O 2.95Å; L329-R344 PolarHBondContact O-N 2.64Å; L329-W346 HydrophobicContact CB-CH2 3.43Å; L329-W346 VanDerWaalsContact CB-CH2 3.43Å; L329-W346 HydrophobicContact CB-CZ3 3.53Å; L329-W346 HydrophobicContact CD1-CH2 3.86Å; L329-W346 HydrophobicContact CG-CH2 4.25Å
330	D	98.9	Very high	98.2	Very high	19 Å²	19	22.8 Å²	22.8	10%	0.102	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115	169.3	-176.3	-13.6	0	0	0	107.5	Y299 P301 V302 L328 T343 R473	Y299-D330 VanDerWaalsContact CE2-OD1 3.23Å; Y299-D330 WeakPolarHBondContact CE2-OD1 3.34Å; Y299-D330 VanDerWaalsContact CZ-OD1 3.25Å; Y299-D330 PolarHBondContact OH-OD1 2.91Å; P301-D330 CarbonylContact C-O 3.53Å; P301-D330 WeakPolarHBondContact CA-O 3.47Å; P301-D330 WeakPolarHBondContact CB-O 3.23Å; V302-D330 HydrophobicContact CB-CB 3.93Å; V302-D330 HydrophobicContact CG2-CB 4.41Å; V302-D330 PolarHBondContact N-O 3.41Å; V302-D330 PolarHBondContact O-N 3.16Å; L328-D330 HydrophobicContact CD2-CB 4.29Å; D330-T343 HydrophobicContact CB-CG2 4.04Å; D330-T343 VanDerWaalsContact CB-OG1 3.28Å; D330-T343 WeakPolarHBondContact CB-OG1 3.48Å; D330-T343 PolarHBondContact OD1-OG1 2.84Å; D330-T343 PolarHBondContact OD2-OG1 2.99Å; D330-R473 IonicContact OD2-CZ 2.97Å; D330-R473 IonicContact OD2-NE 3.38Å; D330-R473 IonicContact OD2-NH2 3.82Å; D330-R473 PolarHBondContact OD2-NH2 2.84Å
331	G	98.8	Very high	98.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.			trans	-160.2	141.5	-173.7	0	0	0	0	0	112.5	T261 F285 Y299 I342	T261-G331 WeakPolarHBondContact CG2-O 3.16Å; F285-G331 WeakPolarHBondContact CZ-O 3.49Å; Y299-G331 VanDerWaalsContact OH-CA 3.24Å; Y299-G331 WeakPolarHBondContact OH-CA 3.38Å; Y299-G331 PolarHBondContact OH-N 2.85Å; Y299-G331 VanDerWaalsContact OH-N 3.14Å; G331-I342 PolarHBondContact N-O 3.48Å; G331-I342 VanDerWaalsContact O-O 3.1Å
332	G	98.8	Very high	98.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.			trans	-143.9	157.4	-179.1	0	0	0	0	0	111.9	L297 A298 Y299 S340	L297-G332 WeakPolarHBondContact CA-O 3.49Å; A298-G332 PolarHBondContact N-O 3.01Å; Y299-G332 PolarHBondContact OH-N 3.42Å; G332-S340 VanDerWaalsContact CA-O 3.25Å; G332-S340 WeakPolarHBondContact CA-O 3.21Å; G332-S340 WeakPolarHBondContact CA-OG 3.3Å
333	C	98.8	Very high	98.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	158.2	177.3	81.3	0	0	0	0	111.7	T261 C289 A294 F296 V339 S340	T261-C333 PolarHBondContact OG1-SG 3.2Å; C289-C333 HydrophobicContact CB-CB 4.06Å; A294-C333 HydrophobicContact CB-CB 3.59Å; F296-C333 WeakPolarHBondContact O-CA 3.45Å; C333-V339 CarbonylContact O-C 3.56Å; C333-V339 VanDerWaalsContact O-CA 3.27Å; C333-V339 WeakPolarHBondContact O-CA 3.3Å; C333-S340 PolarHBondContact N-OG 3.26Å; C333-S340 PolarHBondContact O-N 2.8Å
334	E	98.6	Very high	98.3	Very high	16 Å²	16	10.3 Å²	10.3	8%	0.075	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	127	166.5	-172	-166.1	132.5	0	0	109.2	H125 N295 F296 Y338 V339	H125-E334 IonicContact CD2-OE2 3.84Å; H125-E334 PolarHBondContact CD2-OE2 3.38Å; H125-E334 VanDerWaalsContact CD2-OE2 3.26Å; H125-E334 IonicContact NE2-OE2 3.59Å; H125-E334 PolarHBondContact NE2-OE2 3.19Å; N295-E334 PolarHBondContact N-O 3.37Å; F296-E334 HydrophobicContact CB-CB 4.43Å; F296-E334 PolarHBondContact O-N 3Å; E334-Y338 CarbonylContact C-O 3.55Å; E334-Y338 WeakPolarHBondContact CA-O 3.14Å; E334-V339 HydrophobicContact CB-CG1 4.1Å; E334-V339 HydrophobicContact CG-CG1 4.09Å
335	Y	98.4	Very high	98.4	Very high	46 Å²	46	8.7 Å²	8.7	18%	0.18	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	107.8	174.8	-174.6	-104.5	0	0	0	110.1	L253 E256 I260 G293 C337 Y338	L253-Y335 HydrophobicContact CD2-CD1 4.11Å; L253-Y335 HydrophobicContact CD2-CE1 4Å; E256-Y335 HydrophobicContact CB-CD1 3.84Å; E256-Y335 HydrophobicContact CB-CE1 3.8Å; E256-Y335 HydrophobicContact CG-CD1 3.7Å; E256-Y335 HydrophobicContact CG-CE1 3.36Å; E256-Y335 HydrophobicContact CG-CE2 4.29Å; E256-Y335 HydrophobicContact CG-CG 4.28Å; I260-Y335 HydrophobicContact CD1-CD2 3.51Å; I260-Y335 HydrophobicContact CD1-CE2 3.94Å; I260-Y335 HydrophobicContact CD1-CG 3.99Å; G293-Y335 WeakPolarHBondContact O-CD2 3.13Å; Y335-C337 PolarHBondContact O-N 2.93Å; Y335-Y338 PolarHBondContact N-O 3.04Å; Y335-Y338 PolarHBondContact O-N 3.38Å
336	F	95.6	Very high	98.4	Very high	19 Å²	19	6 Å²	6	8%	0.083	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.1	60.5	-175.2	-62.4	-57.9	0	0	0	112.9	L54 L62 P70 L253 N295 Y338	L54-F336 HydrophobicContact CD1-CD1 4.5Å; L54-F336 HydrophobicContact CD1-CE1 3.7Å; L54-F336 HydrophobicContact CD1-CZ 4.41Å; L62-F336 HydrophobicContact CD1-CZ 4.4Å; L62-F336 HydrophobicContact CD2-CZ 4.37Å; P70-F336 HydrophobicContact CB-CB 4.39Å; P70-F336 HydrophobicContact CB-CD1 4.15Å; P70-F336 HydrophobicContact CB-CD2 3.53Å; P70-F336 HydrophobicContact CB-CE1 4.35Å; P70-F336 HydrophobicContact CB-CE2 3.72Å; P70-F336 HydrophobicContact CB-CG 3.76Å; P70-F336 HydrophobicContact CB-CZ 4.14Å; P70-F336 HydrophobicContact CG-CD1 3.61Å; P70-F336 HydrophobicContact CG-CD2 3.87Å; P70-F336 HydrophobicContact CG-CE1 3.58Å; P70-F336 HydrophobicContact CG-CE2 3.81Å; P70-F336 HydrophobicContact CG-CG 3.77Å; P70-F336 HydrophobicContact CG-CZ 3.67Å; L253-F336 HydrophobicContact CD2-CB 4.29Å; N295-F336 WeakPolarHBondContact OD1-CA 3.34Å; N295-F336 PolarHBondContact OD1-N 3.22Å; F336-Y338 VanDerWaalsContact C-N 3.31Å; F336-Y338 PolarHBondContact O-N 3.5Å
337	C	93.1	Very high	98.4	Very high	8 Å²	8	5.7 Å²	5.7	5%	0.054	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	0.1	174.9	-29.3	0	0	0	0	116.4	L131 Y335 M428	L131-C337 HydrophobicContact CD2-CB 3.64Å; L131-C337 WeakPolarHBondContact CD2-SG 3.45Å; Y335-C337 PolarHBondContact O-N 2.93Å; C337-M428 HydrophobicContact CB-CE 3.96Å; C337-M428 WeakPolarHBondContact O-CA 3.44Å; C337-M428 WeakPolarHBondContact O-CB 3.38Å; C337-M428 WeakPolarHBondContact O-CG 3.27Å
338	Y	98.6	Very high	98.3	Very high	1 Å²	1	5.7 Å²	5.7	0%	0.004	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143	174.3	-69.1	-94.6	0	0	0	110.1	L72 R80 E250 L253 M254 E334 Y335 F336 G427 M428	L72-Y338 HydrophobicContact CD1-CE2 4.1Å; R80-Y338 PolarHBondContact NH2-OH 3.44Å; E250-Y338 HydrophobicContact CB-CD1 4.46Å; E250-Y338 HydrophobicContact CB-CE1 3.67Å; E250-Y338 HydrophobicContact CG-CE1 3.98Å; E250-Y338 WeakPolarHBondContact CG-OH 3.3Å; E250-Y338 PolarHBondContact OE1-OH 2.91Å; L253-Y338 HydrophobicContact CB-CD2 3.76Å; L253-Y338 HydrophobicContact CB-CE2 4.49Å; L253-Y338 HydrophobicContact CB-CG 4.08Å; L253-Y338 HydrophobicContact CD1-CD2 3.52Å; L253-Y338 HydrophobicContact CD1-CE2 3.59Å; L253-Y338 HydrophobicContact CG-CD2 4.28Å; M254-Y338 HydrophobicContact CG-CD1 3.66Å; M254-Y338 HydrophobicContact CG-CG 4.04Å; M254-Y338 HydrophobicContact SD-CD1 4.16Å; E334-Y338 CarbonylContact C-O 3.55Å; E334-Y338 WeakPolarHBondContact CA-O 3.14Å; Y335-Y338 PolarHBondContact N-O 3.04Å; Y335-Y338 PolarHBondContact O-N 3.38Å; F336-Y338 VanDerWaalsContact C-N 3.31Å; F336-Y338 PolarHBondContact O-N 3.5Å; Y338-G427 WeakPolarHBondContact CA-O 3.46Å; Y338-M428 HydrophobicContact CD1-CG 4.17Å; Y338-M428 HydrophobicContact CE1-CG 3.76Å; Y338-M428 HydrophobicContact CE2-CG 4.41Å
339	V	98.8	Very high	98.2	Very high	4 Å²	4	8.6 Å²	8.6	2%	0.024	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	156.6	-173.3	-58.8	0	0	0	0	112.3	A298 C333 E334 L426 G427 V430	A298-V339 HydrophobicContact CB-CB 3.67Å; A298-V339 HydrophobicContact CB-CG1 3.54Å; C333-V339 CarbonylContact O-C 3.56Å; C333-V339 VanDerWaalsContact O-CA 3.27Å; C333-V339 WeakPolarHBondContact O-CA 3.3Å; E334-V339 HydrophobicContact CB-CG1 4.1Å; E334-V339 HydrophobicContact CG-CG1 4.09Å; V339-L426 HydrophobicContact CG2-CD1 3.68Å; V339-L426 HydrophobicContact CG2-CG 4.32Å; V339-G427 WeakPolarHBondContact CG2-O 3.2Å; V339-G427 PolarHBondContact N-O 3.35Å; V339-V430 HydrophobicContact CG2-CG2 4.15Å
340	S	98.9	Very high	98.1	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.			trans	-107.8	159.1	160.5	66.6	0	0	0	0	110.1	T261 G332 C333 D477	T261-S340 WeakPolarHBondContact CB-OG 3.49Å; T261-S340 PolarHBondContact OG1-OG 3.42Å; G332-S340 VanDerWaalsContact CA-O 3.25Å; G332-S340 WeakPolarHBondContact CA-O 3.21Å; G332-S340 WeakPolarHBondContact CA-OG 3.3Å; C333-S340 PolarHBondContact N-OG 3.26Å; C333-S340 PolarHBondContact O-N 2.8Å; S340-D477 VanDerWaalsContact CA-OD2 3.24Å; S340-D477 WeakPolarHBondContact CA-OD2 3Å; S340-D477 WeakPolarHBondContact CB-OD2 3.39Å
341	D	98.9	Very high	98.1	Very high	5 Å²	5	13.9 Å²	13.9	3%	0.027	7%	0.066	C	C	.	.			trans	-142.5	106.3	175.7	-166.3	-7.6	0	0	0	109.6	Y299 H424 L426 V430 T449 D477	Y299-D341 HydrophobicContact CE1-CB 4.39Å; Y299-D341 VanDerWaalsContact CZ-OD1 3.31Å; Y299-D341 PolarHBondContact OH-OD1 3.19Å; D341-H424 IonicContact OD2-CE1 3.64Å; D341-H424 PolarHBondContact OD2-CE1 3.29Å; D341-H424 VanDerWaalsContact OD2-CE1 3.22Å; D341-H424 IonicContact OD2-NE2 3.79Å; D341-H424 PolarHBondContact OD2-NE2 3.42Å; D341-L426 HydrophobicContact CB-CD1 3.86Å; D341-V430 HydrophobicContact CB-CG1 4.43Å; D341-V430 WeakPolarHBondContact OD2-CG1 3.41Å; D341-T449 HydrophobicContact CB-CG2 3.82Å; D341-D477 PolarHBondContact N-OD1 2.87Å; D341-D477 PolarHBondContact N-OD2 3.38Å
342	I	98.9	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.071	C	C	.	.			trans	-136.8	125.9	-169.8	-57	179.5	0	0	0	109.2	T261 F265 G331 R344 T493	T261-I342 HydrophobicContact CG2-CB 4.12Å; T261-I342 HydrophobicContact CG2-CD1 3.63Å; T261-I342 HydrophobicContact CG2-CG1 4.07Å; F265-I342 HydrophobicContact CD2-CB 4.4Å; F265-I342 HydrophobicContact CD2-CG2 4Å; F265-I342 HydrophobicContact CE2-CB 3.72Å; F265-I342 HydrophobicContact CE2-CG2 3.59Å; F265-I342 WeakPolarHBondContact CE2-O 3.24Å; F265-I342 HydrophobicContact CZ-CB 4.38Å; F265-I342 HydrophobicContact CZ-CG2 4.09Å; F265-I342 WeakPolarHBondContact CZ-O 3.34Å; G331-I342 PolarHBondContact N-O 3.48Å; G331-I342 VanDerWaalsContact O-O 3.1Å; I342-R344 HydrophobicContact CG2-CG 4.47Å; I342-T493 HydrophobicContact CG2-CG2 4.11Å
343	T	98.9	Very high	98.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.9	168.9	-55.9	0	0	0	0	111.4	L328 L329 D330 R473 E475	L328-T343 HydrophobicContact CD2-CG2 3.73Å; L328-T343 HydrophobicContact CG-CG2 3.94Å; L329-T343 WeakPolarHBondContact O-CA 3.45Å; D330-T343 HydrophobicContact CB-CG2 4.04Å; D330-T343 VanDerWaalsContact CB-OG1 3.28Å; D330-T343 WeakPolarHBondContact CB-OG1 3.48Å; D330-T343 PolarHBondContact OD1-OG1 2.84Å; D330-T343 PolarHBondContact OD2-OG1 2.99Å; T343-R473 HydrophobicContact CG2-CB 3.79Å; T343-R473 HydrophobicContact CG2-CG 3.88Å; T343-R473 PolarHBondContact OG1-NE 3Å; T343-R473 VanDerWaalsContact OG1-NE 3.1Å; T343-E475 WeakPolarHBondContact CB-OE2 3.05Å; T343-E475 PolarHBondContact N-OE2 2.79Å; T343-E475 PolarHBondContact O-N 3.16Å; T343-E475 VanDerWaalsContact O-N 3.1Å; T343-E475 PolarHBondContact OG1-OE2 3.05Å
344	R	98.9	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.1	165.8	-65.5	-65.8	-177.8	-89.7	5.9	111	F265 M269 L329 I342 W346 E475 D476 T493 P494	F265-R344 HydrophobicContact CD1-CB 3.84Å; F265-R344 HydrophobicContact CD1-CG 3.84Å; F265-R344 HydrophobicContact CE1-CB 3.63Å; F265-R344 HydrophobicContact CE1-CG 3.88Å; F265-R344 HydrophobicContact CG-CG 4.39Å; F265-R344 HydrophobicContact CZ-CG 4.49Å; M269-R344 HydrophobicContact CE-CB 3.68Å; M269-R344 HydrophobicContact CE-CG 3.88Å; L329-R344 PolarHBondContact N-O 2.95Å; L329-R344 PolarHBondContact O-N 2.64Å; I342-R344 HydrophobicContact CG2-CG 4.47Å; R344-W346 HydrophobicContact CB-CE3 4.12Å; R344-W346 HydrophobicContact CB-CZ3 4.17Å; R344-W346 WeakPolarHBondContact O-CZ3 3.43Å; R344-E475 PolarHBondContact NH1-O 2.88Å; R344-D476 IonicContact CZ-OD1 3.22Å; R344-D476 IonicContact NH1-OD1 3.44Å; R344-D476 IonicContact NH2-OD1 2.7Å; R344-D476 PolarHBondContact NH2-OD1 3.14Å; R344-D476 IonicContact NH2-OD2 2.87Å; R344-T493 HydrophobicContact CG-CG2 3.66Å; R344-T493 PolarHBondContact NH2-O 3.22Å; R344-T493 VanDerWaalsContact NH2-O 3.12Å; R344-P494 WeakPolarHBondContact CD-O 3.37Å; R344-P494 PolarHBondContact NE-O 3.37Å
345	T	98.9	Very high	98.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.1	169.6	-49.9	0	0	0	0	109.7	M326 V327 L328 Y360 V472 R473	M326-T345 HydrophobicContact CB-CG2 3.92Å; M326-T345 HydrophobicContact CE-CG2 4.03Å; M326-T345 HydrophobicContact SD-CG2 3.96Å; V327-T345 CarbonylContact O-C 3.39Å; V327-T345 VanDerWaalsContact O-CA 3.25Å; V327-T345 WeakPolarHBondContact O-CA 3.36Å; V327-T345 WeakPolarHBondContact O-CG2 3.31Å; L328-T345 HydrophobicContact CB-CG2 4.41Å; T345-Y360 WeakPolarHBondContact O-CE2 3.42Å; T345-V472 HydrophobicContact CG2-CG2 4.21Å; T345-R473 PolarHBondContact OG1-N 3.45Å; T345-R473 PolarHBondContact OG1-O 3.38Å
346	W	98.9	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	153.2	176.5	69.1	96	0	0	0	112.2	F265 T268 M269 S272 M326 V327 L329 R344 V500	F265-W346 HydrophobicContact CD1-CZ3 4.17Å; F265-W346 HydrophobicContact CE1-CZ3 4.08Å; T268-W346 HydrophobicContact CG2-CH2 4.41Å; T268-W346 HydrophobicContact CG2-CZ2 4.27Å; M269-W346 HydrophobicContact CE-CD2 4.28Å; M269-W346 HydrophobicContact CE-CE3 3.84Å; M269-W346 HydrophobicContact CE-CZ3 4.32Å; M269-W346 HydrophobicContact CG-CD2 3.89Å; M269-W346 HydrophobicContact CG-CE3 4.2Å; M269-W346 HydrophobicContact CG-CG 4.22Å; M269-W346 HydrophobicContact CG-CZ2 4.34Å; S272-W346 PolarHBondContact OG-NE1 3.05Å; M326-W346 CarbonylContact C-O 3.49Å; M326-W346 WeakPolarHBondContact CA-O 3.28Å; M326-W346 WeakPolarHBondContact CB-O 3.27Å; V327-W346 HydrophobicContact CG1-CD2 3.64Å; V327-W346 HydrophobicContact CG1-CE3 4.11Å; V327-W346 HydrophobicContact CG1-CG 4.2Å; V327-W346 HydrophobicContact CG1-CH2 3.9Å; V327-W346 HydrophobicContact CG1-CZ2 3.38Å; V327-W346 HydrophobicContact CG1-CZ3 4.22Å; V327-W346 PolarHBondContact N-O 2.84Å; V327-W346 PolarHBondContact O-N 2.97Å; L329-W346 HydrophobicContact CB-CH2 3.43Å; L329-W346 VanDerWaalsContact CB-CH2 3.43Å; L329-W346 HydrophobicContact CB-CZ3 3.53Å; L329-W346 HydrophobicContact CD1-CH2 3.86Å; L329-W346 HydrophobicContact CG-CH2 4.25Å; R344-W346 HydrophobicContact CB-CE3 4.12Å; R344-W346 HydrophobicContact CB-CZ3 4.17Å; R344-W346 WeakPolarHBondContact O-CZ3 3.43Å; W346-V500 HydrophobicContact CB-CG1 3.41Å; W346-V500 VanDerWaalsContact CB-CG1 3.41Å
347	P	98.6	Very high	98.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	128.9	172.2	28.8	-35.9	0	0	0	110.4	E325 M326 N349 G350 K351 F352	E325-P347 WeakPolarHBondContact O-CA 3.43Å; M326-P347 HydrophobicContact CG-CB 4.38Å; P347-N349 PolarHBondContact O-N 2.92Å; P347-N349 VanDerWaalsContact O-N 3.07Å; P347-G350 PolarHBondContact O-N 3.41Å; P347-K351 VanDerWaalsContact CB-O 3.29Å; P347-K351 WeakPolarHBondContact CB-O 3.48Å; P347-K351 WeakPolarHBondContact CG-O 3.5Å; P347-F352 VanDerWaalsContact CD-CE2 3.48Å; P347-F352 VanDerWaalsContact CD-CZ 3.41Å; P347-F352 HydrophobicContact CG-CD1 4.3Å; P347-F352 HydrophobicContact CG-CD2 3.78Å; P347-F352 HydrophobicContact CG-CE1 4.48Å; P347-F352 HydrophobicContact CG-CE2 3.99Å; P347-F352 HydrophobicContact CG-CG 3.95Å; P347-F352 HydrophobicContact CG-CZ 4.34Å
348	V	97.8	Very high	98.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.4	-173.2	-66.9	0	0	0	0	114.1	S272 Q273 I276 V321 K322 E325 V327	S272-V348 CarbonylContact C-O 3.05Å; S272-V348 WeakPolarHBondContact OG-CA 3.27Å; S272-V348 VanDerWaalsContact OG-CB 3.31Å; S272-V348 WeakPolarHBondContact OG-CB 3.5Å; S272-V348 PolarHBondContact OG-O 3.47Å; Q273-V348 WeakPolarHBondContact CA-O 3.46Å; Q273-V348 PolarHBondContact N-O 3.29Å; I276-V348 HydrophobicContact CG2-CB 4.17Å; I276-V348 HydrophobicContact CG2-CG1 4.1Å; V321-V348 HydrophobicContact CB-CG1 3.97Å; V321-V348 HydrophobicContact CB-CG2 4.45Å; V321-V348 HydrophobicContact CG1-CB 4.29Å; V321-V348 HydrophobicContact CG1-CG1 3.45Å; V321-V348 VanDerWaalsContact CG1-CG1 3.45Å; V321-V348 HydrophobicContact CG1-CG2 3.9Å; K322-V348 VanDerWaalsContact O-CG2 3.27Å; K322-V348 WeakPolarHBondContact O-CG2 3.42Å; E325-V348 PolarHBondContact O-N 2.74Å; V327-V348 HydrophobicContact CB-CG1 3.79Å; V327-V348 HydrophobicContact CG1-CG1 3.65Å
349	N	96.6	Very high	98.5	Very high	62 Å²	62	23.4 Å²	23.4	33%	0.332	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	3.7	173.7	69.6	6.3	0	0	0	113.6	N323 G324 P347 K351	N323-N349 WeakPolarHBondContact OD1-CB 3.5Å; N323-N349 PolarHBondContact OD1-ND2 3.35Å; G324-N349 WeakPolarHBondContact CA-ND2 3.39Å; G324-N349 PolarHBondContact N-ND2 3.27Å; P347-N349 PolarHBondContact O-N 2.92Å; P347-N349 VanDerWaalsContact O-N 3.07Å; N349-K351 PolarHBondContact O-N 3.46Å; N349-K351 PolarHBondContact OD1-N 3.3Å; N349-K351 VanDerWaalsContact OD1-N 3.08Å; N349-K351 PolarHBondContact OD1-O 2.89Å
350	G	97.2	Very high	98.5	Very high	8 Å²	8	23.2 Å²	23.2	8%	0.082	13%	0.13	C	C	.	.	S	Bend	trans	79.5	6.5	175.9	0	0	0	0	0	116.3	P347 E501 C504	P347-G350 PolarHBondContact O-N 3.41Å; G350-E501 WeakPolarHBondContact O-CG 3.34Å; G350-C504 VanDerWaalsContact CA-CB 3.47Å
351	K	97.9	Very high	98.5	Very high	123 Å²	123	26.7 Å²	26.7	54%	0.535	15%	0.146	S	C	.	.			trans	-133.6	125.4	178.1	-70.3	-59	-172.7	-166.8	0	112.7	P347 N349 E501	P347-K351 VanDerWaalsContact CB-O 3.29Å; P347-K351 WeakPolarHBondContact CB-O 3.48Å; P347-K351 WeakPolarHBondContact CG-O 3.5Å; N349-K351 PolarHBondContact O-N 3.46Å; N349-K351 PolarHBondContact OD1-N 3.3Å; N349-K351 VanDerWaalsContact OD1-N 3.08Å; N349-K351 PolarHBondContact OD1-O 2.89Å; K351-E501 VanDerWaalsContact CD-CD 3.47Å; K351-E501 HydrophobicContact CD-CG 4.29Å; K351-E501 WeakPolarHBondContact CD-OE1 3.42Å; K351-E501 WeakPolarHBondContact CD-OE2 3.11Å; K351-E501 IonicContact NZ-OE2 2.68Å; K351-E501 PolarHBondContact NZ-OE2 2.94Å
352	F	98.8	Very high	98.5	Very high	23 Å²	23	26.5 Å²	26.5	10%	0.101	15%	0.146	C	C	.	.			trans	-72.6	132.6	178.6	-72.8	-98.3	0	0	0	109.7	M326 P347 Q356 A357 Y360 I497 V500 E501	M326-F352 HydrophobicContact SD-CD1 4.21Å; M326-F352 HydrophobicContact SD-CE1 4Å; P347-F352 VanDerWaalsContact CD-CE2 3.48Å; P347-F352 VanDerWaalsContact CD-CZ 3.41Å; P347-F352 HydrophobicContact CG-CD1 4.3Å; P347-F352 HydrophobicContact CG-CD2 3.78Å; P347-F352 HydrophobicContact CG-CE1 4.48Å; P347-F352 HydrophobicContact CG-CE2 3.99Å; P347-F352 HydrophobicContact CG-CG 3.95Å; P347-F352 HydrophobicContact CG-CZ 4.34Å; F352-Q356 HydrophobicContact CB-CB 4.44Å; F352-Q356 HydrophobicContact CD1-CB 3.95Å; F352-A357 HydrophobicContact CB-CB 4Å; F352-Y360 HydrophobicContact CE1-CD1 4.27Å; F352-Y360 AromaticContact CE1-CD2 3.72Å; F352-Y360 HydrophobicContact CE1-CD2 3.72Å; F352-Y360 HydrophobicContact CE1-CE2 4.26Å; F352-Y360 AromaticContact CE1-CG 3.73Å; F352-Y360 HydrophobicContact CE1-CG 3.73Å; F352-Y360 HydrophobicContact CZ-CD1 4.34Å; F352-Y360 HydrophobicContact CZ-CD2 4.06Å; F352-Y360 HydrophobicContact CZ-CE1 4.41Å; F352-Y360 HydrophobicContact CZ-CE2 4.13Å; F352-Y360 HydrophobicContact CZ-CG 4.16Å; F352-I497 HydrophobicContact CB-CD1 4.38Å; F352-I497 HydrophobicContact CD2-CB 4.38Å; F352-I497 HydrophobicContact CD2-CD1 4.31Å; F352-I497 HydrophobicContact CD2-CG1 3.9Å; F352-I497 HydrophobicContact CD2-CG2 4Å; F352-I497 HydrophobicContact CE2-CB 4.42Å; F352-I497 HydrophobicContact CE2-CG1 3.95Å; F352-I497 HydrophobicContact CE2-CG2 4.44Å; F352-I497 HydrophobicContact CG-CD1 4.19Å; F352-I497 HydrophobicContact CG-CG1 4.2Å; F352-I497 HydrophobicContact CZ-CG1 4.31Å; F352-V500 HydrophobicContact CE2-CB 4.04Å; F352-V500 HydrophobicContact CE2-CG1 3.7Å; F352-V500 HydrophobicContact CZ-CB 4.41Å; F352-V500 HydrophobicContact CZ-CG1 3.94Å; F352-E501 HydrophobicContact CD2-CG 3.94Å; F352-E501 HydrophobicContact CE2-CG 4.32Å; F352-E501 PolarHBondContact N-OE1 3.25Å; F352-E501 VanDerWaalsContact N-OE1 3.13Å
353	S	98.7	Very high	98.5	Very high	45 Å²	45	26.5 Å²	26.5	32%	0.315	15%	0.146	S	C	.	.			trans	-69.3	160.8	163.2	82.9	0	0	0	0	110.1	A355 Q356 A357	S353-A355 VanDerWaalsContact C-N 3.28Å; S353-A355 PolarHBondContact O-N 3.26Å; S353-Q356 PolarHBondContact O-N 3.37Å; S353-Q356 VanDerWaalsContact O-N 3.15Å; S353-Q356 VanDerWaalsContact OG-CG 3.3Å; S353-Q356 WeakPolarHBondContact OG-CG 3.47Å; S353-Q356 PolarHBondContact OG-N 3.23Å; S353-Q356 PolarHBondContact OG-OE1 2.95Å; S353-A357 WeakPolarHBondContact O-CB 3.39Å; S353-A357 PolarHBondContact O-N 2.91Å
354	P	98.6	Very high	98.5	Very high	100 Å²	100	26.8 Å²	26.8	65%	0.649	15%	0.147	S	C	*	.	H	α-helix	trans	-54	-42.3	177.5	-28.7	36	0	0	0	113.6	A357 E358	P354-A357 PolarHBondContact O-N 3.47Å; P354-E358 VanDerWaalsContact O-CG 3.32Å; P354-E358 WeakPolarHBondContact O-CG 3.47Å; P354-E358 PolarHBondContact O-N 3.39Å
355	A	98.5	Very high	98.5	Very high	12 Å²	12	32 Å²	32	10%	0.099	17%	0.172	C	C	.	.	H	α-helix	trans	-70	-37.9	179.1	0	0	0	0	0	112.7	S353 L359 R466 F467	S353-A355 VanDerWaalsContact C-N 3.28Å; S353-A355 PolarHBondContact O-N 3.26Å; A355-L359 PolarHBondContact O-N 2.89Å; A355-R466 HydrophobicContact CB-CB 3.99Å; A355-R466 HydrophobicContact CB-CG 4.1Å; A355-R466 VanDerWaalsContact CB-O 3.28Å; A355-R466 WeakPolarHBondContact CB-O 3.38Å; A355-F467 HydrophobicContact CB-CD1 4.32Å; A355-F467 HydrophobicContact CB-CE1 4.27Å; A355-F467 WeakPolarHBondContact O-CE1 3.38Å
356	Q	98.9	Very high	98.5	Very high	9 Å²	9	32.1 Å²	32.1	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-64.3	-45.6	174.8	-71.2	164.9	-10.4	0	0	111.1	G324 M326 F352 S353 L359 Y360 L470	G324-Q356 PolarHBondContact O-NE2 3.4Å; M326-Q356 HydrophobicContact CE-CB 4.31Å; M326-Q356 HydrophobicContact CE-CG 4.04Å; M326-Q356 HydrophobicContact CG-CB 4.42Å; M326-Q356 HydrophobicContact CG-CG 3.92Å; M326-Q356 HydrophobicContact SD-CB 3.76Å; M326-Q356 HydrophobicContact SD-CG 3.78Å; F352-Q356 HydrophobicContact CB-CB 4.44Å; F352-Q356 HydrophobicContact CD1-CB 3.95Å; S353-Q356 PolarHBondContact O-N 3.37Å; S353-Q356 VanDerWaalsContact O-N 3.15Å; S353-Q356 VanDerWaalsContact OG-CG 3.3Å; S353-Q356 WeakPolarHBondContact OG-CG 3.47Å; S353-Q356 PolarHBondContact OG-N 3.23Å; S353-Q356 PolarHBondContact OG-OE1 2.95Å; Q356-L359 PolarHBondContact O-N 2.92Å; Q356-Y360 WeakPolarHBondContact O-CB 3.4Å; Q356-Y360 PolarHBondContact O-N 3.02Å; Q356-L470 HydrophobicContact CG-CD1 4.22Å; Q356-L470 HydrophobicContact CG-CD2 4.13Å
357	A	98.9	Very high	98.5	Very high	23 Å²	23	32.1 Å²	32.1	19%	0.19	17%	0.172	C	C	.	.	H	α-helix	trans	-60.1	-48.6	178	0	0	0	0	0	111.5	F352 S353 P354 L359 Y360 E361 I497	F352-A357 HydrophobicContact CB-CB 4Å; S353-A357 WeakPolarHBondContact O-CB 3.39Å; S353-A357 PolarHBondContact O-N 2.91Å; P354-A357 PolarHBondContact O-N 3.47Å; A357-L359 PolarHBondContact O-N 2.67Å; A357-Y360 PolarHBondContact O-N 2.9Å; A357-E361 WeakPolarHBondContact O-CB 3.36Å; A357-E361 PolarHBondContact O-N 3.1Å; A357-I497 HydrophobicContact CB-CD1 3.45Å; A357-I497 VanDerWaalsContact CB-CD1 3.45Å
358	E	98.8	Very high	98.5	Very high	78 Å²	78	37 Å²	37	36%	0.364	19%	0.193	S	C	.	.	H	α-helix	trans	-59.3	-44.3	179.6	-74.7	175.1	-130.6	0	0	112.9	P354 G362 L398 R466 F467	P354-E358 VanDerWaalsContact O-CG 3.32Å; P354-E358 WeakPolarHBondContact O-CG 3.47Å; P354-E358 PolarHBondContact O-N 3.39Å; E358-G362 PolarHBondContact O-N 3.47Å; E358-L398 HydrophobicContact CB-CD2 3.9Å; E358-R466 IonicContact OE1-CZ 3.58Å; E358-R466 IonicContact OE1-NH1 2.73Å; E358-R466 PolarHBondContact OE1-NH1 3.05Å; E358-R466 IonicContact OE1-NH2 2.75Å; E358-R466 IonicContact OE2-CZ 3.6Å; E358-R466 IonicContact OE2-NH1 2.93Å; E358-R466 PolarHBondContact OE2-NH1 3.15Å; E358-R466 IonicContact OE2-NH2 3.62Å; E358-R466 PolarHBondContact OE2-NH2 2.69Å; E358-F467 HydrophobicContact CB-CE1 4.29Å; E358-F467 HydrophobicContact CB-CZ 4.41Å
359	L	98.8	Very high	98.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.3	-42.7	177.2	-174.9	66.4	0	0	0	111.6	A355 Q356 A357 G362 V363 L398 I400 L454 I456 F467 L470 V472	A355-L359 PolarHBondContact O-N 2.89Å; Q356-L359 PolarHBondContact O-N 2.92Å; A357-L359 PolarHBondContact O-N 2.67Å; L359-G362 PolarHBondContact O-N 3.23Å; L359-V363 PolarHBondContact O-N 2.84Å; L359-L398 HydrophobicContact CD1-CD1 3.92Å; L359-I400 HydrophobicContact CD1-CD1 4.37Å; L359-L454 HydrophobicContact CD1-CB 4.05Å; L359-L454 HydrophobicContact CD1-CD1 3.69Å; L359-I456 HydrophobicContact CD1-CD1 3.88Å; L359-I456 HydrophobicContact CD2-CD1 4.09Å; L359-F467 HydrophobicContact CB-CD1 4.25Å; L359-F467 HydrophobicContact CB-CE1 4.22Å; L359-L470 HydrophobicContact CD2-CB 3.51Å; L359-L470 HydrophobicContact CD2-CD1 4.12Å; L359-L470 HydrophobicContact CD2-CG 4.48Å; L359-V472 HydrophobicContact CD2-CG2 3.94Å; L359-V472 HydrophobicContact CG-CG2 4.14Å
360	Y	98.9	Very high	98.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-48.9	-179.4	-174.2	-89.5	0	0	0	112.1	T345 F352 Q356 A357 G362 V363 L364 V472 I474 K495 I497	T345-Y360 WeakPolarHBondContact O-CE2 3.42Å; F352-Y360 HydrophobicContact CE1-CD1 4.27Å; F352-Y360 AromaticContact CE1-CD2 3.72Å; F352-Y360 HydrophobicContact CE1-CD2 3.72Å; F352-Y360 HydrophobicContact CE1-CE2 4.26Å; F352-Y360 AromaticContact CE1-CG 3.73Å; F352-Y360 HydrophobicContact CE1-CG 3.73Å; F352-Y360 HydrophobicContact CZ-CD1 4.34Å; F352-Y360 HydrophobicContact CZ-CD2 4.06Å; F352-Y360 HydrophobicContact CZ-CE1 4.41Å; F352-Y360 HydrophobicContact CZ-CE2 4.13Å; F352-Y360 HydrophobicContact CZ-CG 4.16Å; Q356-Y360 WeakPolarHBondContact O-CB 3.4Å; Q356-Y360 PolarHBondContact O-N 3.02Å; A357-Y360 PolarHBondContact O-N 2.9Å; Y360-G362 VanDerWaalsContact C-N 3.27Å; Y360-G362 PolarHBondContact O-N 3.17Å; Y360-V363 PolarHBondContact O-N 3.3Å; Y360-L364 HydrophobicContact CE1-CD2 4.26Å; Y360-L364 WeakPolarHBondContact O-CB 3.36Å; Y360-L364 PolarHBondContact O-N 2.69Å; Y360-V472 HydrophobicContact CD2-CG1 3.81Å; Y360-V472 HydrophobicContact CE2-CG1 4.4Å; Y360-I474 HydrophobicContact CD1-CD1 4.46Å; Y360-I474 HydrophobicContact CD2-CD1 4.19Å; Y360-I474 HydrophobicContact CE1-CD1 4.02Å; Y360-I474 HydrophobicContact CE2-CD1 3.71Å; Y360-I474 HydrophobicContact CE2-CG1 4.07Å; Y360-K495 VanDerWaalsContact CE1-O 3.29Å; Y360-K495 WeakPolarHBondContact CE1-O 3.25Å; Y360-K495 WeakPolarHBondContact OH-CA 3.23Å; Y360-K495 PolarHBondContact OH-O 3.19Å; Y360-I497 HydrophobicContact CD1-CG1 4.01Å; Y360-I497 HydrophobicContact CE1-CG1 4.38Å
361	E	98.8	Very high	98.7	Very high	72 Å²	72	35.5 Å²	35.5	34%	0.336	19%	0.188	S	C	.	.	H	α-helix	trans	-60.8	-38.2	178.4	-105.1	57.8	-156.2	0	0	111.7	A357 L364 E365 I497	A357-E361 WeakPolarHBondContact O-CB 3.36Å; A357-E361 PolarHBondContact O-N 3.1Å; E361-L364 PolarHBondContact O-N 2.96Å; E361-E365 WeakPolarHBondContact O-CB 3.39Å; E361-E365 PolarHBondContact O-N 2.87Å; E361-I497 WeakPolarHBondContact OE1-CD1 3.36Å; E361-I497 VanDerWaalsContact OE1-CG1 3.28Å; E361-I497 WeakPolarHBondContact OE1-CG1 3.26Å; E361-I497 WeakPolarHBondContact OE2-CD1 3.45Å; E361-I497 VanDerWaalsContact OE2-CG1 3.25Å; E361-I497 WeakPolarHBondContact OE2-CG1 3.29Å
362	G	98.8	Very high	98.7	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-44.4	175.6	0	0	0	0	0	112.5	E358 L359 Y360 V366 Q394	E358-G362 PolarHBondContact O-N 3.47Å; L359-G362 PolarHBondContact O-N 3.23Å; Y360-G362 VanDerWaalsContact C-N 3.27Å; Y360-G362 PolarHBondContact O-N 3.17Å; G362-V366 VanDerWaalsContact O-CG2 3.26Å; G362-V366 WeakPolarHBondContact O-CG2 3.03Å; G362-V366 PolarHBondContact O-N 2.67Å; G362-Q394 VanDerWaalsContact CA-OE1 3.31Å
363	V	98.9	Very high	98.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.5	-41.7	174.7	178.3	0	0	0	0	111.1	L359 Y360 E365 V366 Q367 P452 L454 V472 I474	L359-V363 PolarHBondContact O-N 2.84Å; Y360-V363 PolarHBondContact O-N 3.3Å; V363-E365 VanDerWaalsContact C-N 3.35Å; V363-E365 PolarHBondContact O-N 3.45Å; V363-V366 PolarHBondContact O-N 2.81Å; V363-Q367 WeakPolarHBondContact O-CB 3.44Å; V363-Q367 PolarHBondContact O-N 3.22Å; V363-P452 HydrophobicContact CG1-CB 4.49Å; V363-P452 HydrophobicContact CG1-CG 4.39Å; V363-P452 WeakPolarHBondContact CG1-O 3.43Å; V363-L454 HydrophobicContact CG2-CB 3.98Å; V363-L454 HydrophobicContact CG2-CD1 3.91Å; V363-L454 HydrophobicContact CG2-CG 3.88Å; V363-V472 HydrophobicContact CB-CG1 4.02Å; V363-V472 HydrophobicContact CG1-CG1 4.16Å; V363-V472 HydrophobicContact CG2-CB 4.19Å; V363-V472 HydrophobicContact CG2-CG1 4.06Å; V363-I474 HydrophobicContact CB-CD1 4.43Å; V363-I474 HydrophobicContact CG1-CB 4.42Å; V363-I474 HydrophobicContact CG1-CD1 4.17Å; V363-I474 HydrophobicContact CG1-CG1 4.13Å
364	L	98.9	Very high	98.6	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-38.9	179	-179	63	0	0	0	112.5	Y360 E361 Q367 K368 I474 K495	Y360-L364 HydrophobicContact CE1-CD2 4.26Å; Y360-L364 WeakPolarHBondContact O-CB 3.36Å; Y360-L364 PolarHBondContact O-N 2.69Å; E361-L364 PolarHBondContact O-N 2.96Å; L364-Q367 PolarHBondContact O-N 2.84Å; L364-K368 HydrophobicContact CD1-CD 4.47Å; L364-K368 HydrophobicContact CD1-CG 4.48Å; L364-K368 HydrophobicContact CG-CD 4.29Å; L364-K368 WeakPolarHBondContact O-CG 3.3Å; L364-K368 PolarHBondContact O-N 3.29Å; L364-I474 HydrophobicContact CB-CD1 3.77Å; L364-I474 HydrophobicContact CD1-CD1 4.09Å; L364-K495 HydrophobicContact CD1-CB 4.31Å; L364-K495 HydrophobicContact CD1-CD 4Å; L364-K495 HydrophobicContact CD1-CG 4.04Å; L364-K495 WeakPolarHBondContact CD1-O 3.34Å; L364-K495 VanDerWaalsContact CD2-O 3.29Å; L364-K495 WeakPolarHBondContact CD2-O 3.47Å
365	E	98.9	Very high	98.4	Very high	111 Å²	111	28.7 Å²	28.7	52%	0.519	16%	0.157	S	C	.	.	H	α-helix	trans	-62.9	-47.8	175.6	-171.5	-171	139.9	0	0	111	E361 V363 Q367 K368 A369 Q394	E361-E365 WeakPolarHBondContact O-CB 3.39Å; E361-E365 PolarHBondContact O-N 2.87Å; V363-E365 VanDerWaalsContact C-N 3.35Å; V363-E365 PolarHBondContact O-N 3.45Å; E365-Q367 VanDerWaalsContact C-N 3.3Å; E365-Q367 PolarHBondContact O-N 3.42Å; E365-K368 PolarHBondContact O-N 3.41Å; E365-A369 PolarHBondContact O-N 3.21Å; E365-Q394 PolarHBondContact OE1-NE2 3.04Å; E365-Q394 PolarHBondContact OE2-NE2 3.29Å
366	V	98.9	Very high	98.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-58.4	-45.4	175.8	174.2	0	0	0	0	110.3	G362 V363 A369 C370 M387 L390 L391 Q394 P452	G362-V366 VanDerWaalsContact O-CG2 3.26Å; G362-V366 WeakPolarHBondContact O-CG2 3.03Å; G362-V366 PolarHBondContact O-N 2.67Å; V363-V366 PolarHBondContact O-N 2.81Å; V366-A369 WeakPolarHBondContact O-CB 3.45Å; V366-A369 PolarHBondContact O-N 3Å; V366-C370 PolarHBondContact O-N 2.99Å; V366-C370 PolarHBondContact O-SG 2.82Å; V366-C370 VanDerWaalsContact O-SG 3.38Å; V366-M387 HydrophobicContact CG1-CB 4.49Å; V366-M387 HydrophobicContact CG1-CG 3.76Å; V366-L390 HydrophobicContact CB-CB 4.49Å; V366-L390 HydrophobicContact CG1-CB 4.23Å; V366-L390 HydrophobicContact CG2-CB 3.83Å; V366-L391 HydrophobicContact CB-CD2 4.38Å; V366-L391 HydrophobicContact CG1-CD2 4.19Å; V366-L391 HydrophobicContact CG1-CG 4.09Å; V366-L391 HydrophobicContact CG2-CD2 3.92Å; V366-L391 HydrophobicContact CG2-CG 4.26Å; V366-Q394 HydrophobicContact CG2-CG 3.88Å; V366-P452 HydrophobicContact CG1-CB 3.97Å; V366-P452 HydrophobicContact CG1-CG 4.34Å
367	Q	98.9	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-47.8	-179.7	-163.7	-99.9	5.8	0	0	112.4	V363 L364 E365 A369 C370 L371 I450 P452 I474 D476	V363-Q367 WeakPolarHBondContact O-CB 3.44Å; V363-Q367 PolarHBondContact O-N 3.22Å; L364-Q367 PolarHBondContact O-N 2.84Å; E365-Q367 VanDerWaalsContact C-N 3.3Å; E365-Q367 PolarHBondContact O-N 3.42Å; Q367-A369 VanDerWaalsContact C-N 3.3Å; Q367-A369 PolarHBondContact O-N 3.41Å; Q367-C370 PolarHBondContact O-N 3.32Å; Q367-L371 WeakPolarHBondContact O-CG 3.15Å; Q367-L371 PolarHBondContact O-N 3.02Å; Q367-I450 HydrophobicContact CG-CG2 4.4Å; Q367-P452 HydrophobicContact CB-CG 3.51Å; Q367-P452 HydrophobicContact CG-CG 3.73Å; Q367-I474 HydrophobicContact CG-CB 4.37Å; Q367-I474 HydrophobicContact CG-CG2 4.17Å; Q367-D476 PolarHBondContact NE2-OD2 3.48Å
368	K	98.7	Very high	98.1	Very high	102 Å²	102	33.2 Å²	33.2	44%	0.443	19%	0.194	S	C	.	.	H	α-helix	trans	-61	-39.8	176.1	-73.7	172	177.3	173.3	0	112	L364 E365 L371 S372	L364-K368 HydrophobicContact CD1-CD 4.47Å; L364-K368 HydrophobicContact CD1-CG 4.48Å; L364-K368 HydrophobicContact CG-CD 4.29Å; L364-K368 WeakPolarHBondContact O-CG 3.3Å; L364-K368 PolarHBondContact O-N 3.29Å; E365-K368 PolarHBondContact O-N 3.41Å; K368-L371 PolarHBondContact O-N 2.83Å; K368-S372 PolarHBondContact O-N 3.32Å; K368-S372 VanDerWaalsContact O-N 3.13Å
369	A	98.6	Very high	98.1	Very high	30 Å²	30	30.5 Å²	30.5	25%	0.248	18%	0.183	C	C	.	.	H	α-helix	trans	-64.6	-45	175.7	0	0	0	0	0	111.5	E365 V366 Q367 L371 S372 L373 L390	E365-A369 PolarHBondContact O-N 3.21Å; V366-A369 WeakPolarHBondContact O-CB 3.45Å; V366-A369 PolarHBondContact O-N 3Å; Q367-A369 VanDerWaalsContact C-N 3.3Å; Q367-A369 PolarHBondContact O-N 3.41Å; A369-L371 PolarHBondContact O-N 2.93Å; A369-S372 PolarHBondContact O-N 3.48Å; A369-S372 PolarHBondContact O-OG 3.04Å; A369-L373 PolarHBondContact O-N 3.04Å; A369-L390 HydrophobicContact CB-CD1 3.49Å; A369-L390 VanDerWaalsContact CB-CD1 3.49Å
370	C	98.6	Very high	98.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-41.7	175.7	-70.9	0	0	0	0	112.6	V366 Q367 S372 L373 C374 I383 V422 I450	V366-C370 PolarHBondContact O-N 2.99Å; V366-C370 PolarHBondContact O-SG 2.82Å; V366-C370 VanDerWaalsContact O-SG 3.38Å; Q367-C370 PolarHBondContact O-N 3.32Å; C370-S372 VanDerWaalsContact C-N 3.29Å; C370-S372 PolarHBondContact O-N 3.33Å; C370-L373 WeakPolarHBondContact O-CB 3.39Å; C370-L373 PolarHBondContact O-N 2.88Å; C370-L373 VanDerWaalsContact O-N 3.1Å; C370-C374 PolarHBondContact O-SG 2.77Å; C370-C374 VanDerWaalsContact O-SG 3.41Å; C370-I383 HydrophobicContact CB-CG2 3.81Å; C370-V422 HydrophobicContact CB-CG2 4.39Å; C370-I450 HydrophobicContact CB-CG2 3.6Å
371	L	98.4	Very high	98.1	Very high	10 Å²	10	32.9 Å²	32.9	5%	0.052	20%	0.196	C	C	.	.	H	α-helix	trans	-58.8	-39.8	174.6	-73.8	172.2	0	0	0	112.1	Q367 K368 A369 L373 C374 I450 D476 V478 I488 K495	Q367-L371 WeakPolarHBondContact O-CG 3.15Å; Q367-L371 PolarHBondContact O-N 3.02Å; K368-L371 PolarHBondContact O-N 2.83Å; A369-L371 PolarHBondContact O-N 2.93Å; L371-L373 PolarHBondContact O-N 3.28Å; L371-C374 WeakPolarHBondContact O-CB 3.49Å; L371-C374 PolarHBondContact O-N 3.44Å; L371-C374 VanDerWaalsContact O-N 3.13Å; L371-I450 HydrophobicContact CD2-CB 3.96Å; L371-I450 HydrophobicContact CD2-CG1 4.02Å; L371-I450 HydrophobicContact CD2-CG2 4.25Å; L371-I450 HydrophobicContact CG-CB 4.48Å; L371-I450 HydrophobicContact CG-CG2 4.23Å; L371-D476 HydrophobicContact CD2-CB 4.37Å; L371-V478 HydrophobicContact CD2-CG1 3.4Å; L371-I488 HydrophobicContact CD1-CD1 4.05Å; L371-I488 HydrophobicContact CD2-CD1 4.47Å; L371-K495 VanDerWaalsContact CD1-NZ 3.35Å
372	S	97.3	Very high	98.1	Very high	76 Å²	76	34.1 Å²	34.1	53%	0.531	20%	0.202	S	C	.	.	H	α-helix	trans	-66.3	-15.3	178.7	76.4	0	0	0	0	114.3	K368 A369 C370	K368-S372 PolarHBondContact O-N 3.32Å; K368-S372 VanDerWaalsContact O-N 3.13Å; A369-S372 PolarHBondContact O-N 3.48Å; A369-S372 PolarHBondContact O-OG 3.04Å; C370-S372 VanDerWaalsContact C-N 3.29Å; C370-S372 PolarHBondContact O-N 3.33Å
373	L	97.2	Very high	98.1	Very high	44 Å²	44	34 Å²	34	23%	0.23	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-12.2	177	-60.8	173.3	0	0	0	113.1	A369 C370 L371 S375 I383 T386	A369-L373 PolarHBondContact O-N 3.04Å; C370-L373 WeakPolarHBondContact O-CB 3.39Å; C370-L373 PolarHBondContact O-N 2.88Å; C370-L373 VanDerWaalsContact O-N 3.1Å; L371-L373 PolarHBondContact O-N 3.28Å; L373-S375 VanDerWaalsContact C-N 3.27Å; L373-S375 PolarHBondContact O-N 2.88Å; L373-S375 PolarHBondContact O-OG 3.21Å; L373-I383 HydrophobicContact CB-CG1 4.09Å; L373-T386 HydrophobicContact CD1-CG2 3.69Å
374	C	97.6	Very high	98.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.207	C	C	.	.			trans	-71.7	80.6	-175.3	-64.6	0	0	0	0	110.9	C370 L371 V478 I480 P486	C370-C374 PolarHBondContact O-SG 2.77Å; C370-C374 VanDerWaalsContact O-SG 3.41Å; L371-C374 WeakPolarHBondContact O-CB 3.49Å; L371-C374 PolarHBondContact O-N 3.44Å; L371-C374 VanDerWaalsContact O-N 3.13Å; C374-V478 HydrophobicContact CB-CG2 4.43Å; C374-I480 HydrophobicContact CB-CD1 3.77Å; C374-P486 HydrophobicContact CB-CB 3.89Å; C374-P486 HydrophobicContact CB-CG 3.87Å
375	S	96.3	Very high	98.1	Very high	27 Å²	27	38.6 Å²	38.6	19%	0.189	23%	0.228	C	C	.	.	S	Bend	trans	-141.5	158.4	-173.5	59.7	0	0	0	0	111.1	L373 G377 V378	L373-S375 VanDerWaalsContact C-N 3.27Å; L373-S375 PolarHBondContact O-N 2.88Å; L373-S375 PolarHBondContact O-OG 3.21Å; S375-G377 PolarHBondContact O-N 3.12Å; S375-V378 PolarHBondContact O-N 3.29Å; S375-V378 WeakPolarHBondContact OG-CG2 3.39Å
376	P	97.2	Very high	98.1	Very high	56 Å²	56	35.1 Å²	35.1	36%	0.364	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	135.4	178.3	-27.1	36.3	0	0	0	112.7	L442 P444 I480 Q481	P376-L442 WeakPolarHBondContact CA-O 3.26Å; P376-P444 HydrophobicContact CG-CG 3.9Å; P376-I480 HydrophobicContact CG-CG2 4.06Å; P376-Q481 WeakPolarHBondContact CD-O 3.49Å; P376-Q481 WeakPolarHBondContact CG-O 3.3Å
377	G	95.8	Very high	98	Very high	55 Å²	55	35.1 Å²	35.1	57%	0.567	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.1	-22.8	179.4	0	0	0	0	0	114.9	S375 L442	S375-G377 PolarHBondContact O-N 3.12Å; G377-L442 PolarHBondContact N-O 3Å
378	V	96.9	Very high	98	Very high	28 Å²	28	35.1 Å²	35.1	17%	0.17	21%	0.214	C	C	.	.			trans	-79.5	146.1	173.8	179.7	0	0	0	0	109.7	S375 H382 I383 L442	S375-V378 PolarHBondContact O-N 3.29Å; S375-V378 WeakPolarHBondContact OG-CG2 3.39Å; V378-H382 HydrophobicContact CG1-CB 4.14Å; V378-I383 HydrophobicContact CG1-CD1 4.12Å; V378-I383 HydrophobicContact CG1-CG1 3.68Å; V378-L442 WeakPolarHBondContact O-CB 3.4Å; V378-L442 WeakPolarHBondContact O-CD1 3.48Å; V378-L442 WeakPolarHBondContact O-CG 3.34Å; V378-L442 PolarHBondContact O-N 2.95Å
379	S	98.4	Very high	98	Very high	21 Å²	21	32.4 Å²	32.4	15%	0.147	21%	0.211	C	C	.	.			trans	-106.5	158.6	175.6	68.8	0	0	0	0	112.3	D381 H382 I383 R438 S439 Q440	S379-D381 PolarHBondContact O-N 3.44Å; S379-H382 WeakPolarHBondContact O-CB 3.39Å; S379-H382 PolarHBondContact O-N 2.95Å; S379-H382 VanDerWaalsContact O-N 3.09Å; S379-H382 PolarHBondContact OG-N 3.33Å; S379-I383 WeakPolarHBondContact O-CG1 3.01Å; S379-I383 PolarHBondContact O-N 3.37Å; S379-I383 VanDerWaalsContact O-N 3.1Å; S379-R438 WeakPolarHBondContact CB-O 3.49Å; S379-S439 WeakPolarHBondContact CB-O 3.45Å; S379-Q440 VanDerWaalsContact CB-O 3.26Å; S379-Q440 WeakPolarHBondContact CB-O 3.27Å
380	L	98.5	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.1	-38.7	173.7	-90.3	171.3	0	0	0	111.8	H382 I383 Y384 V422 Y425 R438 I448	L380-H382 VanDerWaalsContact C-N 3.32Å; L380-H382 PolarHBondContact O-N 3.11Å; L380-I383 PolarHBondContact O-N 2.68Å; L380-Y384 WeakPolarHBondContact O-CB 3.33Å; L380-Y384 PolarHBondContact O-N 3.13Å; L380-V422 HydrophobicContact CD2-CG1 4.34Å; L380-Y425 HydrophobicContact CD1-CE1 4.35Å; L380-Y425 HydrophobicContact CD1-CE2 4.32Å; L380-R438 HydrophobicContact CB-CB 3.96Å; L380-R438 HydrophobicContact CB-CG 4.32Å; L380-R438 WeakPolarHBondContact CB-O 3.3Å; L380-R438 HydrophobicContact CD1-CG 4.1Å; L380-R438 PolarHBondContact N-O 3.1Å; L380-R438 VanDerWaalsContact N-O 3.12Å; L380-I448 HydrophobicContact CD1-CG2 4.07Å; L380-I448 HydrophobicContact CD2-CB 4.39Å; L380-I448 HydrophobicContact CD2-CD1 3.89Å; L380-I448 HydrophobicContact CD2-CG2 4.42Å; L380-I448 HydrophobicContact CG-CD1 4.43Å; L380-I448 HydrophobicContact CG-CG2 4.34Å
381	D	98.7	Very high	98.1	Very high	50 Å²	50	32.4 Å²	32.4	27%	0.267	21%	0.207	S	C	.	.	H	α-helix	trans	-65.9	-32.8	176.7	-71.3	-18.3	0	0	0	113	S379 S385 H421 R438 S439	S379-D381 PolarHBondContact O-N 3.44Å; D381-S385 WeakPolarHBondContact O-CB 3.25Å; D381-S385 PolarHBondContact O-N 3.09Å; D381-S385 PolarHBondContact O-OG 2.83Å; D381-H421 IonicContact OD1-NE2 3.73Å; D381-H421 PolarHBondContact OD1-NE2 2.98Å; D381-R438 PolarHBondContact N-O 3.23Å; D381-R438 VanDerWaalsContact N-O 3.11Å; D381-R438 VanDerWaalsContact OD1-CB 3.31Å; D381-R438 WeakPolarHBondContact OD1-CB 3.37Å; D381-S439 WeakPolarHBondContact OD2-CA 3.34Å; D381-S439 WeakPolarHBondContact OD2-CB 3.31Å; D381-S439 PolarHBondContact OD2-N 3.05Å; D381-S439 PolarHBondContact OD2-OG 2.71Å
382	H	98.6	Very high	98.1	Very high	98 Å²	98	32 Å²	32	45%	0.454	21%	0.206	S	C	.	.	H	α-helix	trans	-67.9	-44.2	174.2	-178.6	82.7	0	0	0	111.1	V378 S379 L380 Y384 S385 T386	V378-H382 HydrophobicContact CG1-CB 4.14Å; S379-H382 WeakPolarHBondContact O-CB 3.39Å; S379-H382 PolarHBondContact O-N 2.95Å; S379-H382 VanDerWaalsContact O-N 3.09Å; S379-H382 PolarHBondContact OG-N 3.33Å; L380-H382 VanDerWaalsContact C-N 3.32Å; L380-H382 PolarHBondContact O-N 3.11Å; H382-Y384 VanDerWaalsContact C-N 3.31Å; H382-Y384 PolarHBondContact O-N 3.04Å; H382-S385 PolarHBondContact O-N 3.4Å; H382-T386 PolarHBondContact O-N 3.48Å; H382-T386 PolarHBondContact O-OG1 3.31Å
383	I	98.7	Very high	98.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-42.1	175.7	-58.8	170.8	0	0	0	109.8	C370 L373 V378 S379 L380 S385 T386 M387 V422 L442 I448 I450	C370-I383 HydrophobicContact CB-CG2 3.81Å; L373-I383 HydrophobicContact CB-CG1 4.09Å; V378-I383 HydrophobicContact CG1-CD1 4.12Å; V378-I383 HydrophobicContact CG1-CG1 3.68Å; S379-I383 WeakPolarHBondContact O-CG1 3.01Å; S379-I383 PolarHBondContact O-N 3.37Å; S379-I383 VanDerWaalsContact O-N 3.1Å; L380-I383 PolarHBondContact O-N 2.68Å; I383-S385 PolarHBondContact O-N 3.11Å; I383-T386 PolarHBondContact O-N 3.28Å; I383-M387 WeakPolarHBondContact O-CB 3.4Å; I383-M387 PolarHBondContact O-N 2.67Å; I383-V422 HydrophobicContact CB-CG1 4.19Å; I383-V422 HydrophobicContact CG2-CG1 4.01Å; I383-V422 HydrophobicContact CG2-CG2 3.9Å; I383-L442 HydrophobicContact CD1-CD1 4.11Å; I383-I448 HydrophobicContact CD1-CD1 4.48Å; I383-I450 HydrophobicContact CD1-CD1 4.36Å; I383-I450 HydrophobicContact CG2-CD1 4.04Å
384	Y	98.8	Very high	98.2	Very high	35 Å²	35	34.4 Å²	34.4	14%	0.137	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-44.7	177.3	177.7	-123	0	0	0	112.5	L380 H382 T386 M387 L388 R415 H420 H421 V422	L380-Y384 WeakPolarHBondContact O-CB 3.33Å; L380-Y384 PolarHBondContact O-N 3.13Å; H382-Y384 VanDerWaalsContact C-N 3.31Å; H382-Y384 PolarHBondContact O-N 3.04Å; Y384-T386 VanDerWaalsContact C-N 3.26Å; Y384-T386 PolarHBondContact O-N 3.42Å; Y384-M387 HydrophobicContact CD2-CE 3.5Å; Y384-M387 VanDerWaalsContact CD2-CE 3.5Å; Y384-M387 HydrophobicContact CE2-CE 3.5Å; Y384-M387 WeakPolarHBondContact O-CB 3.49Å; Y384-M387 PolarHBondContact O-N 2.96Å; Y384-L388 HydrophobicContact CD1-CD1 4.29Å; Y384-L388 HydrophobicContact CD2-CG 4.33Å; Y384-L388 HydrophobicContact CE1-CD1 3.77Å; Y384-L388 HydrophobicContact CE2-CD1 4.01Å; Y384-L388 HydrophobicContact CE2-CD2 4.03Å; Y384-L388 HydrophobicContact CE2-CG 3.93Å; Y384-L388 WeakPolarHBondContact O-CG 3.5Å; Y384-L388 PolarHBondContact O-N 3.07Å; Y384-R415 PolarHBondContact OH-NH1 2.95Å; Y384-H420 WeakPolarHBondContact CE2-O 3.39Å; Y384-H421 WeakPolarHBondContact CB-NE2 3.28Å; Y384-H421 AromaticContact CD1-CD2 3.82Å; Y384-H421 AromaticContact CD1-NE2 3.73Å; Y384-H421 AromaticContact CD2-CD2 3.97Å; Y384-H421 AromaticContact CG-CD2 3.71Å; Y384-H421 AromaticContact CG-NE2 3.55Å; Y384-V422 HydrophobicContact CD2-CB 4.14Å
385	S	98.6	Very high	98.2	Very high	66 Å²	66	34.4 Å²	34.4	46%	0.462	20%	0.2	S	C	.	.	H	α-helix	trans	-60.7	-39.2	175.9	-59.9	0	0	0	0	111.5	D381 H382 I383 A389	D381-S385 WeakPolarHBondContact O-CB 3.25Å; D381-S385 PolarHBondContact O-N 3.09Å; D381-S385 PolarHBondContact O-OG 2.83Å; H382-S385 PolarHBondContact O-N 3.4Å; I383-S385 PolarHBondContact O-N 3.11Å; S385-A389 PolarHBondContact O-N 2.79Å
386	T	98.6	Very high	98.3	Very high	39 Å²	39	35.3 Å²	35.3	24%	0.239	20%	0.201	C	C	.	.	H	α-helix	trans	-68.9	-43	176.2	-55	0	0	0	0	111.9	L373 H382 I383 Y384 L388 A389 L390	L373-T386 HydrophobicContact CD1-CG2 3.69Å; H382-T386 PolarHBondContact O-N 3.48Å; H382-T386 PolarHBondContact O-OG1 3.31Å; I383-T386 PolarHBondContact O-N 3.28Å; Y384-T386 VanDerWaalsContact C-N 3.26Å; Y384-T386 PolarHBondContact O-N 3.42Å; T386-L388 PolarHBondContact O-N 3.07Å; T386-A389 PolarHBondContact O-N 3.23Å; T386-L390 HydrophobicContact CG2-CD1 4.02Å; T386-L390 HydrophobicContact CG2-CG 4.33Å; T386-L390 WeakPolarHBondContact O-CG 3.37Å; T386-L390 PolarHBondContact O-N 3.25Å
387	M	98.8	Very high	98.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-53.7	-51.2	174.6	-175.6	-165	75.1	0	0	111	V366 I383 Y384 A389 L390 L391 V422 P452	V366-M387 HydrophobicContact CG1-CB 4.49Å; V366-M387 HydrophobicContact CG1-CG 3.76Å; I383-M387 WeakPolarHBondContact O-CB 3.4Å; I383-M387 PolarHBondContact O-N 2.67Å; Y384-M387 HydrophobicContact CD2-CE 3.5Å; Y384-M387 VanDerWaalsContact CD2-CE 3.5Å; Y384-M387 HydrophobicContact CE2-CE 3.5Å; Y384-M387 WeakPolarHBondContact O-CB 3.49Å; Y384-M387 PolarHBondContact O-N 2.96Å; M387-A389 VanDerWaalsContact C-N 3.32Å; M387-A389 PolarHBondContact O-N 3.04Å; M387-L390 PolarHBondContact O-N 3.33Å; M387-L391 HydrophobicContact CE-CD1 3.97Å; M387-L391 HydrophobicContact CG-CD1 3.85Å; M387-L391 HydrophobicContact CG-CG 4.3Å; M387-L391 WeakPolarHBondContact O-CB 3.45Å; M387-L391 VanDerWaalsContact O-CG 3.32Å; M387-L391 WeakPolarHBondContact O-CG 3.34Å; M387-L391 PolarHBondContact O-N 2.9Å; M387-L391 HydrophobicContact SD-CD1 4.28Å; M387-V422 HydrophobicContact CB-CB 4.34Å; M387-V422 HydrophobicContact CB-CG2 3.97Å; M387-V422 HydrophobicContact CE-CB 4.28Å; M387-V422 HydrophobicContact CG-CG2 4.04Å; M387-V422 HydrophobicContact SD-CB 3.51Å; M387-V422 VanDerWaalsContact SD-CB 3.51Å; M387-V422 HydrophobicContact SD-CG2 3.43Å; M387-V422 WeakPolarHBondContact SD-CG2 3.31Å; M387-P452 HydrophobicContact CG-CB 3.93Å; M387-P452 HydrophobicContact SD-CB 3.71Å
388	L	98.8	Very high	98.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-38.2	-179.7	-67.8	175.9	0	0	0	112.7	Y384 T386 G392 L411 A414 R415	Y384-L388 HydrophobicContact CD1-CD1 4.29Å; Y384-L388 HydrophobicContact CD2-CG 4.33Å; Y384-L388 HydrophobicContact CE1-CD1 3.77Å; Y384-L388 HydrophobicContact CE2-CD1 4.01Å; Y384-L388 HydrophobicContact CE2-CD2 4.03Å; Y384-L388 HydrophobicContact CE2-CG 3.93Å; Y384-L388 WeakPolarHBondContact O-CG 3.5Å; Y384-L388 PolarHBondContact O-N 3.07Å; T386-L388 PolarHBondContact O-N 3.07Å; L388-G392 PolarHBondContact O-N 3.32Å; L388-L411 HydrophobicContact CB-CD1 3.47Å; L388-L411 VanDerWaalsContact CB-CD1 3.47Å; L388-L411 HydrophobicContact CB-CG 4.46Å; L388-L411 HydrophobicContact CD1-CD1 4.41Å; L388-A414 HydrophobicContact CB-CB 4.37Å; L388-A414 HydrophobicContact CD2-CB 4.1Å; L388-A414 VanDerWaalsContact O-CB 3.27Å; L388-A414 WeakPolarHBondContact O-CB 3.49Å; L388-R415 HydrophobicContact CD1-CG 3.84Å; L388-R415 VanDerWaalsContact CD1-NH1 3.27Å; L388-R415 HydrophobicContact CD2-CG 3.9Å
389	A	98.6	Very high	98.4	Very high	45 Å²	45	38.1 Å²	38.1	37%	0.372	20%	0.204	S	C	.	.	H	α-helix	trans	-65.4	-41.3	176.1	0	0	0	0	0	111.8	S385 T386 M387 G392 R393	S385-A389 PolarHBondContact O-N 2.79Å; T386-A389 PolarHBondContact O-N 3.23Å; M387-A389 VanDerWaalsContact C-N 3.32Å; M387-A389 PolarHBondContact O-N 3.04Å; A389-G392 PolarHBondContact O-N 3.1Å; A389-R393 WeakPolarHBondContact O-CG 3.41Å; A389-R393 PolarHBondContact O-N 2.94Å
390	L	98.8	Very high	98.4	Very high	30 Å²	30	37.5 Å²	37.5	16%	0.157	20%	0.2	C	C	.	.	H	α-helix	trans	-70.6	-42.8	177.8	-65	173.9	0	0	0	111.9	V366 A369 T386 M387 G392 R393 Q394	V366-L390 HydrophobicContact CB-CB 4.49Å; V366-L390 HydrophobicContact CG1-CB 4.23Å; V366-L390 HydrophobicContact CG2-CB 3.83Å; A369-L390 HydrophobicContact CB-CD1 3.49Å; A369-L390 VanDerWaalsContact CB-CD1 3.49Å; T386-L390 HydrophobicContact CG2-CD1 4.02Å; T386-L390 HydrophobicContact CG2-CG 4.33Å; T386-L390 WeakPolarHBondContact O-CG 3.37Å; T386-L390 PolarHBondContact O-N 3.25Å; M387-L390 PolarHBondContact O-N 3.33Å; L390-G392 VanDerWaalsContact C-N 3.29Å; L390-G392 PolarHBondContact O-N 3.02Å; L390-R393 WeakPolarHBondContact O-CB 3.39Å; L390-R393 PolarHBondContact O-N 2.92Å; L390-Q394 WeakPolarHBondContact O-CG 3.12Å; L390-Q394 PolarHBondContact O-N 3.26Å
391	L	98.8	Very high	98.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.2	-42.6	172.1	-71.3	171.3	0	0	0	111.1	V366 M387 R393 Q394 L395 A414 C418 L454	V366-L391 HydrophobicContact CB-CD2 4.38Å; V366-L391 HydrophobicContact CG1-CD2 4.19Å; V366-L391 HydrophobicContact CG1-CG 4.09Å; V366-L391 HydrophobicContact CG2-CD2 3.92Å; V366-L391 HydrophobicContact CG2-CG 4.26Å; M387-L391 HydrophobicContact CE-CD1 3.97Å; M387-L391 HydrophobicContact CG-CD1 3.85Å; M387-L391 HydrophobicContact CG-CG 4.3Å; M387-L391 WeakPolarHBondContact O-CB 3.45Å; M387-L391 VanDerWaalsContact O-CG 3.32Å; M387-L391 WeakPolarHBondContact O-CG 3.34Å; M387-L391 PolarHBondContact O-N 2.9Å; M387-L391 HydrophobicContact SD-CD1 4.28Å; L391-R393 PolarHBondContact O-N 2.85Å; L391-Q394 PolarHBondContact O-N 3.3Å; L391-Q394 VanDerWaalsContact O-N 3.15Å; L391-L395 WeakPolarHBondContact O-CB 3.29Å; L391-L395 VanDerWaalsContact O-CG 3.25Å; L391-L395 WeakPolarHBondContact O-CG 3.43Å; L391-L395 PolarHBondContact O-N 2.8Å; L391-A414 HydrophobicContact CB-CB 3.99Å; L391-C418 HydrophobicContact CD1-CB 3.67Å; L391-L454 HydrophobicContact CD2-CD1 4.2Å; L391-L454 HydrophobicContact CD2-CD2 3.88Å; L391-L454 HydrophobicContact CD2-CG 3.83Å
392	G	98.5	Very high	98	Very high	3 Å²	3	43.8 Å²	43.8	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-57.7	-35.8	174.5	0	0	0	0	0	113.4	L388 A389 L390 K396	L388-G392 PolarHBondContact O-N 3.32Å; A389-G392 PolarHBondContact O-N 3.1Å; L390-G392 VanDerWaalsContact C-N 3.29Å; L390-G392 PolarHBondContact O-N 3.02Å; G392-K396 WeakPolarHBondContact O-CG 3.21Å; G392-K396 PolarHBondContact O-N 3.19Å
393	R	98.2	Very high	97.6	Very high	157 Å²	157	42 Å²	42	59%	0.592	23%	0.234	S	C	*	.	H	α-helix	trans	-70.7	-44.3	173.9	-67	174.6	-175.5	178.4	1.6	111.8	A389 L390 L391 L395 K396 Q397	A389-R393 WeakPolarHBondContact O-CG 3.41Å; A389-R393 PolarHBondContact O-N 2.94Å; L390-R393 WeakPolarHBondContact O-CB 3.39Å; L390-R393 PolarHBondContact O-N 2.92Å; L391-R393 PolarHBondContact O-N 2.85Å; R393-L395 VanDerWaalsContact C-N 3.34Å; R393-L395 PolarHBondContact O-N 3.45Å; R393-K396 WeakPolarHBondContact O-CB 3Å; R393-K396 PolarHBondContact O-N 2.9Å; R393-Q397 WeakPolarHBondContact O-CG 3.45Å; R393-Q397 PolarHBondContact O-N 2.99Å
394	Q	98.5	Very high	97.3	Very high	12 Å²	12	47.3 Å²	47.3	6%	0.056	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-43.6	176.5	-68.4	-64.1	-22.4	0	0	111.3	G362 E365 V366 L390 L391 K396 Q397 L398	G362-Q394 VanDerWaalsContact CA-OE1 3.31Å; E365-Q394 PolarHBondContact OE1-NE2 3.04Å; E365-Q394 PolarHBondContact OE2-NE2 3.29Å; V366-Q394 HydrophobicContact CG2-CG 3.88Å; L390-Q394 WeakPolarHBondContact O-CG 3.12Å; L390-Q394 PolarHBondContact O-N 3.26Å; L391-Q394 PolarHBondContact O-N 3.3Å; L391-Q394 VanDerWaalsContact O-N 3.15Å; Q394-K396 VanDerWaalsContact C-N 3.28Å; Q394-K396 PolarHBondContact O-N 3.48Å; Q394-Q397 PolarHBondContact O-N 3.49Å; Q394-Q397 VanDerWaalsContact O-N 3.09Å; Q394-L398 WeakPolarHBondContact O-CB 3.3Å; Q394-L398 VanDerWaalsContact O-CG 3.31Å; Q394-L398 WeakPolarHBondContact O-CG 3.48Å; Q394-L398 PolarHBondContact O-N 3.39Å
395	L	98.6	Very high	97.1	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-58.3	-37	175.6	-70.1	171.8	0	0	0	112.9	L391 R393 G399 I400 V401 A413 A414 Y417 L454	L391-L395 WeakPolarHBondContact O-CB 3.29Å; L391-L395 VanDerWaalsContact O-CG 3.25Å; L391-L395 WeakPolarHBondContact O-CG 3.43Å; L391-L395 PolarHBondContact O-N 2.8Å; R393-L395 VanDerWaalsContact C-N 3.34Å; R393-L395 PolarHBondContact O-N 3.45Å; L395-G399 PolarHBondContact O-N 2.87Å; L395-I400 HydrophobicContact CD2-CB 3.93Å; L395-I400 HydrophobicContact CD2-CD1 3.82Å; L395-I400 HydrophobicContact CD2-CG2 3.67Å; L395-I400 PolarHBondContact O-N 2.82Å; L395-V401 HydrophobicContact CB-CB 4.32Å; L395-V401 HydrophobicContact CB-CG2 4.05Å; L395-V401 PolarHBondContact O-N 3.15Å; L395-A413 HydrophobicContact CD1-CB 4.15Å; L395-A414 HydrophobicContact CD1-CB 4.31Å; L395-Y417 HydrophobicContact CD1-CD2 3.8Å; L395-Y417 HydrophobicContact CD2-CD2 3.77Å; L395-Y417 HydrophobicContact CD2-CE2 4.33Å; L395-Y417 HydrophobicContact CD2-CG 4.22Å; L395-Y417 HydrophobicContact CG-CD2 4.47Å; L395-L454 HydrophobicContact CD2-CD1 4.46Å; L395-L454 HydrophobicContact CD2-CD2 4Å; L395-L454 HydrophobicContact CG-CD2 4.41Å
396	K	98	Very high	97	Very high	45 Å²	45	46.5 Å²	46.5	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-68.6	-44.4	173.5	-70.9	177.1	-178.3	-174.8	0	111.7	G392 R393 Q394 G399 T405 D407	G392-K396 WeakPolarHBondContact O-CG 3.21Å; G392-K396 PolarHBondContact O-N 3.19Å; R393-K396 WeakPolarHBondContact O-CB 3Å; R393-K396 PolarHBondContact O-N 2.9Å; Q394-K396 VanDerWaalsContact C-N 3.28Å; Q394-K396 PolarHBondContact O-N 3.48Å; K396-G399 PolarHBondContact O-N 3.38Å; K396-T405 WeakPolarHBondContact CE-O 3.43Å; K396-T405 PolarHBondContact NZ-O 3.32Å; K396-D407 IonicContact NZ-OD1 3.29Å; K396-D407 PolarHBondContact NZ-OD1 3.41Å
397	Q	97.3	Very high	96.8	Very high	139 Å²	139	50.7 Å²	50.7	65%	0.65	29%	0.291	S	S	*	.	H	α-helix	trans	-65.6	-40.2	-178.8	-72.5	173.3	-9.2	0	0	112.2	R393 Q394 G399	R393-Q397 WeakPolarHBondContact O-CG 3.45Å; R393-Q397 PolarHBondContact O-N 2.99Å; Q394-Q397 PolarHBondContact O-N 3.49Å; Q394-Q397 VanDerWaalsContact O-N 3.09Å; Q397-G399 PolarHBondContact O-N 3.23Å
398	L	97.6	Very high	96.6	Very high	16 Å²	16	54.2 Å²	54.2	8%	0.084	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.2	176.8	-65.3	169.4	0	0	0	112.9	E358 L359 Q394 I400 F467	E358-L398 HydrophobicContact CB-CD2 3.9Å; L359-L398 HydrophobicContact CD1-CD1 3.92Å; Q394-L398 WeakPolarHBondContact O-CB 3.3Å; Q394-L398 VanDerWaalsContact O-CG 3.31Å; Q394-L398 WeakPolarHBondContact O-CG 3.48Å; Q394-L398 PolarHBondContact O-N 3.39Å; L398-I400 HydrophobicContact CB-CD1 3.87Å; L398-I400 HydrophobicContact CB-CG1 4.07Å; L398-I400 HydrophobicContact CD1-CD1 3.87Å; L398-I400 PolarHBondContact O-N 3.04Å; L398-F467 HydrophobicContact CB-CE2 4.15Å; L398-F467 HydrophobicContact CB-CZ 4.19Å; L398-F467 HydrophobicContact CD2-CE1 4.35Å; L398-F467 HydrophobicContact CD2-CZ 3.84Å; L398-F467 WeakPolarHBondContact O-CE2 3.27Å
399	G	97.4	Very high	96.5	Very high	43 Å²	43	58.5 Å²	58.5	44%	0.443	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	11.9	-176.1	0	0	0	0	0	114.3	L395 K396 Q397	L395-G399 PolarHBondContact O-N 2.87Å; K396-G399 PolarHBondContact O-N 3.38Å; Q397-G399 PolarHBondContact O-N 3.23Å
400	I	97.3	Very high	96.4	Very high	9 Å²	9	56.5 Å²	56.5	5%	0.046	33%	0.326	C	S	.	.	S	Bend	trans	-66.7	-32.6	171.6	-65.4	163.2	0	0	0	110.1	L359 L395 L398 Y417 I456 V463 F467	L359-I400 HydrophobicContact CD1-CD1 4.37Å; L395-I400 HydrophobicContact CD2-CB 3.93Å; L395-I400 HydrophobicContact CD2-CD1 3.82Å; L395-I400 HydrophobicContact CD2-CG2 3.67Å; L395-I400 PolarHBondContact O-N 2.82Å; L398-I400 HydrophobicContact CB-CD1 3.87Å; L398-I400 HydrophobicContact CB-CG1 4.07Å; L398-I400 HydrophobicContact CD1-CD1 3.87Å; L398-I400 PolarHBondContact O-N 3.04Å; I400-Y417 HydrophobicContact CG2-CD2 4.33Å; I400-Y417 HydrophobicContact CG2-CE1 4.38Å; I400-Y417 HydrophobicContact CG2-CE2 3.69Å; I400-I456 HydrophobicContact CD1-CD1 3.51Å; I400-I456 HydrophobicContact CG1-CD1 4.31Å; I400-V463 HydrophobicContact CG2-CB 4.32Å; I400-V463 HydrophobicContact CG2-CG1 3.77Å; I400-F467 HydrophobicContact CD1-CD2 4.38Å; I400-F467 HydrophobicContact CG1-CD2 4.02Å; I400-F467 HydrophobicContact CG1-CE2 4.42Å
401	V	96.1	Very high	96.3	Very high	19 Å²	19	57.8 Å²	57.8	12%	0.115	33%	0.333	C	S	.	.	S	Bend	trans	-122.9	142.9	170.3	174.7	0	0	0	0	108.3	L395 G403 T405 A413	L395-V401 HydrophobicContact CB-CB 4.32Å; L395-V401 HydrophobicContact CB-CG2 4.05Å; L395-V401 PolarHBondContact O-N 3.15Å; V401-G403 PolarHBondContact O-N 3.27Å; V401-T405 VanDerWaalsContact CG1-CB 3.49Å; V401-T405 HydrophobicContact CG1-CG2 3.59Å; V401-T405 WeakPolarHBondContact CG1-OG1 3.3Å; V401-A413 HydrophobicContact CG2-CB 3.71Å
402	K	93.3	Very high	96.2	Very high	162 Å²	162	65.1 Å²	65.1	70%	0.704	37%	0.365	S	S	*	.			trans	-58.1	138.2	178.8	-65.4	-179.4	-178.8	177.1	0	110.7	S404 T405	K402-S404 PolarHBondContact O-N 3.34Å; K402-S404 VanDerWaalsContact O-N 3.15Å; K402-T405 WeakPolarHBondContact O-CB 3.49Å; K402-T405 PolarHBondContact O-N 3.47Å; K402-T405 PolarHBondContact O-OG1 3.13Å
403	G	90.7	Very high	96.2	Very high	61 Å²	61	65.8 Å²	65.8	63%	0.629	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.7	179.3	0	0	0	0	0	114.4	V401 T405	V401-G403 PolarHBondContact O-N 3.27Å; G403-T405 VanDerWaalsContact C-N 3.27Å; G403-T405 PolarHBondContact O-N 3.49Å
404	S	92.6	Very high	96.2	Very high	111 Å²	111	58.3 Å²	58.3	78%	0.776	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-3.4	175.6	57	0	0	0	0	114.6	K402	K402-S404 PolarHBondContact O-N 3.34Å; K402-S404 VanDerWaalsContact O-N 3.15Å
405	T	94.6	Very high	96.2	Very high	33 Å²	33	63 Å²	63	20%	0.202	36%	0.359	C	S	.	.			trans	-61.2	137.2	179.5	-58	0	0	0	0	110.7	K396 V401 K402 G403 D409	K396-T405 WeakPolarHBondContact CE-O 3.43Å; K396-T405 PolarHBondContact NZ-O 3.32Å; V401-T405 VanDerWaalsContact CG1-CB 3.49Å; V401-T405 HydrophobicContact CG1-CG2 3.59Å; V401-T405 WeakPolarHBondContact CG1-OG1 3.3Å; K402-T405 WeakPolarHBondContact O-CB 3.49Å; K402-T405 PolarHBondContact O-N 3.47Å; K402-T405 PolarHBondContact O-OG1 3.13Å; G403-T405 VanDerWaalsContact C-N 3.27Å; G403-T405 PolarHBondContact O-N 3.49Å; T405-D409 HydrophobicContact CG2-CB 3.42Å; T405-D409 VanDerWaalsContact CG2-CB 3.42Å
406	S	96.3	Very high	96.1	Very high	52 Å²	52	69.4 Å²	69.4	36%	0.364	38%	0.383	S	S	.	.			trans	-61.1	158.4	177.6	80.5	0	0	0	0	111.6	A408 D409 A410	S406-A408 VanDerWaalsContact C-N 3.29Å; S406-A408 PolarHBondContact O-N 3.23Å; S406-D409 PolarHBondContact O-N 2.98Å; S406-D409 WeakPolarHBondContact OG-CB 3.43Å; S406-D409 PolarHBondContact OG-N 3.35Å; S406-D409 VanDerWaalsContact OG-N 3.11Å; S406-D409 PolarHBondContact OG-OD2 3.49Å; S406-A410 WeakPolarHBondContact O-CB 3.3Å; S406-A410 PolarHBondContact O-N 3.04Å
407	D	93.6	Very high	96.2	Very high	127 Å²	127	67.9 Å²	67.9	68%	0.679	38%	0.376	S	S	*	.	H	α-helix	trans	-66.8	-32.1	178.2	-71.4	-15.5	0	0	0	112.5	K396 A410 L411	K396-D407 IonicContact NZ-OD1 3.29Å; K396-D407 PolarHBondContact NZ-OD1 3.41Å; D407-A410 PolarHBondContact O-N 2.73Å; D407-L411 WeakPolarHBondContact O-CB 3.3Å; D407-L411 PolarHBondContact O-N 3.48Å
408	A	95.3	Very high	96.2	Very high	73 Å²	73	61.2 Å²	61.2	60%	0.603	35%	0.345	S	S	*	.	H	α-helix	trans	-65	-43.7	174.7	0	0	0	0	0	111.8	S406 L411 K412	S406-A408 VanDerWaalsContact C-N 3.29Å; S406-A408 PolarHBondContact O-N 3.23Å; A408-L411 PolarHBondContact O-N 3.25Å; A408-K412 PolarHBondContact O-N 3.41Å
409	D	96.3	Very high	96.3	Very high	90 Å²	90	64 Å²	64	48%	0.481	36%	0.364	S	S	.	.	H	α-helix	trans	-70.6	-35.4	177.3	-66.4	-44.8	0	0	0	111.8	T405 S406 L411 K412 A413	T405-D409 HydrophobicContact CG2-CB 3.42Å; T405-D409 VanDerWaalsContact CG2-CB 3.42Å; S406-D409 PolarHBondContact O-N 2.98Å; S406-D409 WeakPolarHBondContact OG-CB 3.43Å; S406-D409 PolarHBondContact OG-N 3.35Å; S406-D409 VanDerWaalsContact OG-N 3.11Å; S406-D409 PolarHBondContact OG-OD2 3.49Å; D409-L411 VanDerWaalsContact C-N 3.34Å; D409-K412 WeakPolarHBondContact O-CB 3.4Å; D409-K412 PolarHBondContact O-N 2.88Å; D409-A413 WeakPolarHBondContact O-CB 3.37Å; D409-A413 PolarHBondContact O-N 3.4Å
410	A	96.7	Very high	96.3	Very high	4 Å²	4	63.6 Å²	63.6	3%	0.033	35%	0.35	C	S	.	.	H	α-helix	trans	-64.9	-37.9	173.7	0	0	0	0	0	111.9	S406 D407 A413 A414	S406-A410 WeakPolarHBondContact O-CB 3.3Å; S406-A410 PolarHBondContact O-N 3.04Å; D407-A410 PolarHBondContact O-N 2.73Å; A410-A413 PolarHBondContact O-N 2.75Å; A410-A414 WeakPolarHBondContact O-CB 3.4Å; A410-A414 PolarHBondContact O-N 3.36Å
411	L	96.6	Very high	96.4	Very high	56 Å²	56	64.4 Å²	64.4	29%	0.293	35%	0.354	S	S	.	.	H	α-helix	trans	-65.4	-40.4	173.3	-166.5	78.2	0	0	0	111.6	L388 D407 A408 D409 A413 A414 R415	L388-L411 HydrophobicContact CB-CD1 3.47Å; L388-L411 VanDerWaalsContact CB-CD1 3.47Å; L388-L411 HydrophobicContact CB-CG 4.46Å; L388-L411 HydrophobicContact CD1-CD1 4.41Å; D407-L411 WeakPolarHBondContact O-CB 3.3Å; D407-L411 PolarHBondContact O-N 3.48Å; A408-L411 PolarHBondContact O-N 3.25Å; D409-L411 VanDerWaalsContact C-N 3.34Å; L411-A413 VanDerWaalsContact C-N 3.34Å; L411-A414 WeakPolarHBondContact O-CB 3.43Å; L411-A414 PolarHBondContact O-N 3.42Å; L411-R415 PolarHBondContact O-N 3.05Å; L411-R415 VanDerWaalsContact O-N 3.08Å
412	K	97.3	Very high	96.5	Very high	155 Å²	155	63.5 Å²	63.5	67%	0.674	35%	0.348	S	S	*	.	H	α-helix	trans	-63.1	-41.8	174.2	-176	179.5	177.8	-175.9	0	111.2	A408 D409 R415 R416	A408-K412 PolarHBondContact O-N 3.41Å; D409-K412 WeakPolarHBondContact O-CB 3.4Å; D409-K412 PolarHBondContact O-N 2.88Å; K412-R415 PolarHBondContact O-N 2.55Å; K412-R416 PolarHBondContact O-N 3.13Å; K412-R416 VanDerWaalsContact O-N 3.13Å
413	A	97.6	Very high	96.7	Very high	16 Å²	16	55.8 Å²	55.8	13%	0.132	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-42.3	174	0	0	0	0	0	111.8	L395 V401 D409 A410 L411 R415 R416 Y417	L395-A413 HydrophobicContact CD1-CB 4.15Å; V401-A413 HydrophobicContact CG2-CB 3.71Å; D409-A413 WeakPolarHBondContact O-CB 3.37Å; D409-A413 PolarHBondContact O-N 3.4Å; A410-A413 PolarHBondContact O-N 2.75Å; L411-A413 VanDerWaalsContact C-N 3.34Å; A413-R415 VanDerWaalsContact C-N 3.3Å; A413-R415 PolarHBondContact O-N 3.06Å; A413-R416 WeakPolarHBondContact O-CA 3.49Å; A413-R416 WeakPolarHBondContact O-CB 3.4Å; A413-R416 PolarHBondContact O-N 3.1Å; A413-Y417 HydrophobicContact CB-CD2 4.5Å; A413-Y417 HydrophobicContact CB-CE2 4.5Å; A413-Y417 VanDerWaalsContact O-CD2 3.24Å; A413-Y417 WeakPolarHBondContact O-CD2 3.13Å; A413-Y417 PolarHBondContact O-N 2.96Å
414	A	98.4	Very high	97.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.2	-42	175.1	0	0	0	0	0	112	L388 L391 L395 A410 L411 R416 Y417 C418	L388-A414 HydrophobicContact CB-CB 4.37Å; L388-A414 HydrophobicContact CD2-CB 4.1Å; L388-A414 VanDerWaalsContact O-CB 3.27Å; L388-A414 WeakPolarHBondContact O-CB 3.49Å; L391-A414 HydrophobicContact CB-CB 3.99Å; L395-A414 HydrophobicContact CD1-CB 4.31Å; A410-A414 WeakPolarHBondContact O-CB 3.4Å; A410-A414 PolarHBondContact O-N 3.36Å; L411-A414 WeakPolarHBondContact O-CB 3.43Å; L411-A414 PolarHBondContact O-N 3.42Å; A414-R416 VanDerWaalsContact C-N 3.32Å; A414-R416 PolarHBondContact O-N 3Å; A414-Y417 PolarHBondContact O-N 3.15Å; A414-C418 WeakPolarHBondContact O-CA 3.09Å; A414-C418 VanDerWaalsContact O-CB 3.31Å; A414-C418 WeakPolarHBondContact O-CB 3.26Å; A414-C418 PolarHBondContact O-N 3.4Å
415	R	98.1	Very high	97.4	Very high	111 Å²	111	48.2 Å²	48.2	42%	0.419	25%	0.251	S	S	.	.	H	α-helix	trans	-67.3	-30.3	174.4	-66.5	179.2	-166.3	-81.6	-0.3	113.5	Y384 L388 L411 K412 A413 C418 P419	Y384-R415 PolarHBondContact OH-NH1 2.95Å; L388-R415 HydrophobicContact CD1-CG 3.84Å; L388-R415 VanDerWaalsContact CD1-NH1 3.27Å; L388-R415 HydrophobicContact CD2-CG 3.9Å; L411-R415 PolarHBondContact O-N 3.05Å; L411-R415 VanDerWaalsContact O-N 3.08Å; K412-R415 PolarHBondContact O-N 2.55Å; A413-R415 VanDerWaalsContact C-N 3.3Å; A413-R415 PolarHBondContact O-N 3.06Å; R415-C418 CarbonylContact O-C 3.59Å; R415-P419 WeakPolarHBondContact O-CA 3.41Å
416	R	97.9	Very high	97.6	Very high	136 Å²	136	46.7 Å²	46.7	51%	0.513	24%	0.241	S	C	.	.	H	α-helix	trans	-68.1	-47.9	174.9	173.7	179.6	167.9	177.9	-7	110.7	K412 A413 A414 D460	K412-R416 PolarHBondContact O-N 3.13Å; K412-R416 VanDerWaalsContact O-N 3.13Å; A413-R416 WeakPolarHBondContact O-CA 3.49Å; A413-R416 WeakPolarHBondContact O-CB 3.4Å; A413-R416 PolarHBondContact O-N 3.1Å; A414-R416 VanDerWaalsContact C-N 3.32Å; A414-R416 PolarHBondContact O-N 3Å; R416-D460 IonicContact CZ-OD2 2.74Å; R416-D460 IonicContact NE-OD2 2.84Å; R416-D460 VanDerWaalsContact NH2-CG 3.33Å; R416-D460 IonicContact NH2-OD1 3.7Å; R416-D460 PolarHBondContact NH2-OD1 3.03Å; R416-D460 IonicContact NH2-OD2 2.69Å; R416-D460 PolarHBondContact NH2-OD2 2.83Å
417	Y	98.6	Very high	97.7	Very high	12 Å²	12	44.2 Å²	44.2	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-84.9	-12.6	-177.4	-65.1	-68.2	0	0	0	114	L395 I400 A413 A414 L454 Y455 I456 D460 V463	L395-Y417 HydrophobicContact CD1-CD2 3.8Å; L395-Y417 HydrophobicContact CD2-CD2 3.77Å; L395-Y417 HydrophobicContact CD2-CE2 4.33Å; L395-Y417 HydrophobicContact CD2-CG 4.22Å; L395-Y417 HydrophobicContact CG-CD2 4.47Å; I400-Y417 HydrophobicContact CG2-CD2 4.33Å; I400-Y417 HydrophobicContact CG2-CE1 4.38Å; I400-Y417 HydrophobicContact CG2-CE2 3.69Å; A413-Y417 HydrophobicContact CB-CD2 4.5Å; A413-Y417 HydrophobicContact CB-CE2 4.5Å; A413-Y417 VanDerWaalsContact O-CD2 3.24Å; A413-Y417 WeakPolarHBondContact O-CD2 3.13Å; A413-Y417 PolarHBondContact O-N 2.96Å; A414-Y417 PolarHBondContact O-N 3.15Å; Y417-L454 WeakPolarHBondContact O-CA 3.45Å; Y417-Y455 WeakPolarHBondContact CD1-O 3.35Å; Y417-Y455 VanDerWaalsContact O-CD2 3.25Å; Y417-Y455 WeakPolarHBondContact O-CD2 3.39Å; Y417-Y455 PolarHBondContact O-N 3.05Å; Y417-I456 HydrophobicContact CD1-CG1 4.28Å; Y417-D460 PolarHBondContact OH-OD2 3.11Å; Y417-V463 HydrophobicContact CE1-CG1 4.24Å; Y417-V463 WeakPolarHBondContact OH-CG1 3.37Å
418	C	98.6	Very high	98	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.			trans	-133.9	82	171.5	-174.7	0	0	0	0	109.2	L391 A414 R415 H420 G453	L391-C418 HydrophobicContact CD1-CB 3.67Å; A414-C418 WeakPolarHBondContact O-CA 3.09Å; A414-C418 VanDerWaalsContact O-CB 3.31Å; A414-C418 WeakPolarHBondContact O-CB 3.26Å; A414-C418 PolarHBondContact O-N 3.4Å; R415-C418 CarbonylContact O-C 3.59Å; C418-H420 VanDerWaalsContact C-N 3.3Å; C418-H420 PolarHBondContact O-N 3.27Å; C418-G453 VanDerWaalsContact CB-O 3.23Å; C418-G453 WeakPolarHBondContact CB-O 3.38Å; C418-G453 PolarHBondContact SG-O 2.8Å; C418-G453 VanDerWaalsContact SG-O 3.4Å
419	P	98.3	Very high	98.1	Very high	75 Å²	75	37.9 Å²	37.9	49%	0.487	18%	0.179	S	C	.	.			trans	-80.2	-5.3	-171.9	33.5	-39.7	0	0	0	114.5	L312 R415	L312-P419 HydrophobicContact CD1-CG 3.64Å; L312-P419 HydrophobicContact CD2-CG 4.43Å; L312-P419 HydrophobicContact CG-CG 4.5Å; R415-P419 WeakPolarHBondContact O-CA 3.41Å
420	H	98.6	Very high	98.2	Very high	34 Å²	34	34.7 Å²	34.7	16%	0.157	16%	0.163	C	C	.	.	S	Bend	trans	-102.5	178	177.8	61.6	85.3	0	0	0	112.1	Y384 C418 E451 Y455	Y384-H420 WeakPolarHBondContact CE2-O 3.39Å; C418-H420 VanDerWaalsContact C-N 3.3Å; C418-H420 PolarHBondContact O-N 3.27Å; H420-E451 PolarHBondContact CE1-O 3.3Å; H420-E451 IonicContact CE1-OE2 3.49Å; H420-E451 IonicContact ND1-OE2 3.69Å; H420-Y455 AromaticContact CD2-CE2 3.57Å; H420-Y455 AromaticContact CD2-CZ 3.95Å; H420-Y455 AromaticContact NE2-CE2 3.19Å; H420-Y455 WeakPolarHBondContact NE2-CE2 3.5Å; H420-Y455 AromaticContact NE2-CZ 3.42Å; H420-Y455 PolarHBondContact NE2-OH 3.4Å
421	H	98.5	Very high	98.3	Very high	25 Å²	25	40.2 Å²	40.2	12%	0.116	19%	0.188	C	C	.	.			trans	-80	169	178.8	-158.6	-95.9	0	0	0	111.1	D381 Y384 G423	D381-H421 IonicContact OD1-NE2 3.73Å; D381-H421 PolarHBondContact OD1-NE2 2.98Å; Y384-H421 WeakPolarHBondContact CB-NE2 3.28Å; Y384-H421 AromaticContact CD1-CD2 3.82Å; Y384-H421 AromaticContact CD1-NE2 3.73Å; Y384-H421 AromaticContact CD2-CD2 3.97Å; Y384-H421 AromaticContact CG-CD2 3.71Å; Y384-H421 AromaticContact CG-NE2 3.55Å; H421-G423 PolarHBondContact ND1-N 2.91Å; H421-G423 PolarHBondContact ND1-O 2.88Å; H421-G423 PolarHBondContact O-N 3.17Å
422	V	98.7	Very high	98.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-74.5	-11	175.3	70.8	0	0	0	0	113.7	C370 L380 I383 Y384 M387 I450 E451	C370-V422 HydrophobicContact CB-CG2 4.39Å; L380-V422 HydrophobicContact CD2-CG1 4.34Å; I383-V422 HydrophobicContact CB-CG1 4.19Å; I383-V422 HydrophobicContact CG2-CG1 4.01Å; I383-V422 HydrophobicContact CG2-CG2 3.9Å; Y384-V422 HydrophobicContact CD2-CB 4.14Å; M387-V422 HydrophobicContact CB-CB 4.34Å; M387-V422 HydrophobicContact CB-CG2 3.97Å; M387-V422 HydrophobicContact CE-CB 4.28Å; M387-V422 HydrophobicContact CG-CG2 4.04Å; M387-V422 HydrophobicContact SD-CB 3.51Å; M387-V422 VanDerWaalsContact SD-CB 3.51Å; M387-V422 HydrophobicContact SD-CG2 3.43Å; M387-V422 WeakPolarHBondContact SD-CG2 3.31Å; V422-I450 HydrophobicContact CG2-CD1 4.45Å; V422-I450 HydrophobicContact CG2-CG2 4.46Å; V422-I450 CarbonylContact O-C 3.59Å; V422-I450 WeakPolarHBondContact O-CA 3.44Å; V422-E451 VanDerWaalsContact O-CG 3.28Å; V422-E451 WeakPolarHBondContact O-CG 3.33Å; V422-E451 PolarHBondContact O-N 2.99Å
423	G	98.4	Very high	98.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.143	C	C	.	.			trans	158.5	175.4	-171.8	0	0	0	0	0	114	H421 T449 E451	H421-G423 PolarHBondContact ND1-N 2.91Å; H421-G423 PolarHBondContact ND1-O 2.88Å; H421-G423 PolarHBondContact O-N 3.17Å; G423-T449 WeakPolarHBondContact CA-O 3.35Å; G423-T449 VanDerWaalsContact CA-OG1 3.27Å; G423-T449 WeakPolarHBondContact CA-OG1 3.3Å; G423-E451 WeakPolarHBondContact CA-OE1 3.46Å
424	H	98.8	Very high	98.3	Very high	7 Å²	7	34.4 Å²	34.4	3%	0.032	17%	0.168	C	C	.	.			trans	-145.5	171.2	-180	52.3	81.1	0	0	0	110.9	D341 V430 H431 I448 T449 E451	D341-H424 IonicContact OD2-CE1 3.64Å; D341-H424 PolarHBondContact OD2-CE1 3.29Å; D341-H424 VanDerWaalsContact OD2-CE1 3.22Å; D341-H424 IonicContact OD2-NE2 3.79Å; D341-H424 PolarHBondContact OD2-NE2 3.42Å; H424-V430 PolarHBondContact CE1-O 3.13Å; H424-V430 PolarHBondContact ND1-O 3.15Å; H424-H431 AromaticContact CD2-CD2 3.47Å; H424-H431 PolarHBondContact CD2-CD2 3.28Å; H424-H431 VanDerWaalsContact CD2-CD2 3.47Å; H424-H431 AromaticContact CD2-NE2 3.69Å; H424-H431 AromaticContact CE1-CD2 3.54Å; H424-H431 AromaticContact CG-CD2 3.55Å; H424-H431 AromaticContact ND1-CD2 3.59Å; H424-H431 AromaticContact NE2-CD2 3.46Å; H424-H431 PolarHBondContact NE2-CD2 3.19Å; H424-H431 AromaticContact NE2-NE2 3.71Å; H424-I448 CarbonylContact O-C 3.36Å; H424-I448 WeakPolarHBondContact O-CA 3.33Å; H424-I448 VanDerWaalsContact O-CB 3.28Å; H424-I448 WeakPolarHBondContact O-CB 3.23Å; H424-T449 PolarHBondContact CD2-OG1 3.37Å; H424-T449 VanDerWaalsContact CD2-OG1 3.25Å; H424-T449 WeakPolarHBondContact CE1-CG2 3.42Å; H424-T449 PolarHBondContact N-OG1 3.45Å; H424-T449 PolarHBondContact NE2-OG1 2.9Å; H424-T449 PolarHBondContact O-N 2.93Å; H424-E451 IonicContact CD2-OE1 3.23Å; H424-E451 PolarHBondContact CD2-OE1 2.89Å; H424-E451 IonicContact NE2-OE1 3.48Å
425	Y	98.8	Very high	98.1	Very high	7 Å²	7	39.2 Å²	39.2	3%	0.027	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-68.1	148.3	169.2	-58.7	-72.9	0	0	0	110.5	L380 D432 L436 S437 Q440 L442 M446 A447 I448	L380-Y425 HydrophobicContact CD1-CE1 4.35Å; L380-Y425 HydrophobicContact CD1-CE2 4.32Å; Y425-D432 WeakPolarHBondContact CB-O 3.35Å; Y425-D432 WeakPolarHBondContact O-CB 3.33Å; Y425-D432 PolarHBondContact O-N 2.79Å; Y425-L436 HydrophobicContact CD2-CB 4.3Å; Y425-L436 HydrophobicContact CE2-CB 3.82Å; Y425-S437 PolarHBondContact OH-O 2.86Å; Y425-Q440 VanDerWaalsContact CZ-NE2 3.29Å; Y425-Q440 WeakPolarHBondContact OH-CG 3.42Å; Y425-Q440 PolarHBondContact OH-NE2 2.9Å; Y425-L442 HydrophobicContact CE1-CD2 4.11Å; Y425-M446 HydrophobicContact CE1-SD 4.09Å; Y425-A447 WeakPolarHBondContact CA-O 3.35Å; Y425-I448 HydrophobicContact CD1-CG2 3.64Å; Y425-I448 HydrophobicContact CE1-CG2 4.01Å; Y425-I448 HydrophobicContact CG-CG2 4.44Å
426	L	98.9	Very high	98	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.177	C	C	.	.			trans	-131.6	146.8	-178.3	-171.7	72.3	0	0	0	110.3	K246 M254 V339 D341 V430 A447 T449 D477	K246-L426 WeakPolarHBondContact CE-O 3.27Å; K246-L426 PolarHBondContact NZ-O 2.81Å; M254-L426 HydrophobicContact CE-CB 4.23Å; M254-L426 HydrophobicContact CE-CD2 3.83Å; M254-L426 HydrophobicContact CE-CG 3.9Å; V339-L426 HydrophobicContact CG2-CD1 3.68Å; V339-L426 HydrophobicContact CG2-CG 4.32Å; D341-L426 HydrophobicContact CB-CD1 3.86Å; L426-V430 WeakPolarHBondContact CD1-O 3.38Å; L426-A447 PolarHBondContact N-O 2.9Å; L426-A447 WeakPolarHBondContact O-CB 3.32Å; L426-T449 HydrophobicContact CD1-CG2 4.4Å; L426-T449 HydrophobicContact CD2-CG2 4.38Å; L426-D477 HydrophobicContact CD2-CB 3.95Å; L426-D477 WeakPolarHBondContact CD2-OD1 3.44Å
427	G	98.7	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	178.1	-107.9	176	0	0	0	0	0	113	Y338 V339 D429 D432	Y338-G427 WeakPolarHBondContact CA-O 3.46Å; V339-G427 WeakPolarHBondContact CG2-O 3.2Å; V339-G427 PolarHBondContact N-O 3.35Å; G427-D429 PolarHBondContact N-O 2.81Å; G427-D432 VanDerWaalsContact CA-OD2 3.3Å; G427-D432 WeakPolarHBondContact CA-OD2 3.2Å; G427-D432 PolarHBondContact N-OD2 2.99Å
428	M	98.6	Very high	97.9	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.03	19%	0.188	C	C	.	.	S	Bend	trans	-82.2	-23.3	176.2	-62.4	179.2	70.6	0	0	112.8	Q128 L131 Y132 C337 Y338	Q128-M428 HydrophobicContact CB-CB 4.15Å; Q128-M428 HydrophobicContact CB-CE 4.3Å; Q128-M428 HydrophobicContact CG-CB 4.06Å; Q128-M428 PolarHBondContact NE2-O 2.89Å; L131-M428 HydrophobicContact CB-CE 3.95Å; L131-M428 HydrophobicContact CD2-CE 3.78Å; L131-M428 HydrophobicContact CG-CE 3.82Å; Y132-M428 HydrophobicContact CD2-SD 3.72Å; Y132-M428 HydrophobicContact CG-SD 4.24Å; C337-M428 HydrophobicContact CB-CE 3.96Å; C337-M428 WeakPolarHBondContact O-CA 3.44Å; C337-M428 WeakPolarHBondContact O-CB 3.38Å; C337-M428 WeakPolarHBondContact O-CG 3.27Å; Y338-M428 HydrophobicContact CD1-CG 4.17Å; Y338-M428 HydrophobicContact CE1-CG 3.76Å; Y338-M428 HydrophobicContact CE2-CG 4.41Å
429	D	98.6	Very high	97.9	Very high	60 Å²	60	39 Å²	39	32%	0.321	21%	0.211	S	C	.	.	S	Bend	trans	-114	157.6	167.2	-68.7	-68.5	0	0	0	108.6	Q128 R243 G427 D432	Q128-D429 WeakPolarHBondContact CG-OD1 3.4Å; Q128-D429 WeakPolarHBondContact CG-OD2 3.46Å; R243-D429 IonicContact CZ-OD2 3.65Å; R243-D429 IonicContact NH1-OD2 3.61Å; R243-D429 IonicContact NH2-OD2 3.82Å; R243-D429 PolarHBondContact NH2-OD2 3.48Å; G427-D429 PolarHBondContact N-O 2.81Å; D429-D432 WeakPolarHBondContact O-CB 3.25Å
430	V	98.4	Very high	97.8	Very high	23 Å²	23	37.7 Å²	37.7	14%	0.139	20%	0.199	C	C	.	.	S	Bend	trans	-63.7	-61.6	176.6	-179	0	0	0	0	109.9	A298 Y299 V339 D341 H424 L426 D432	A298-V430 HydrophobicContact CB-CG2 3.88Å; Y299-V430 HydrophobicContact CD1-CB 4.38Å; Y299-V430 HydrophobicContact CD1-CG1 3.96Å; Y299-V430 HydrophobicContact CD1-CG2 3.49Å; Y299-V430 VanDerWaalsContact CD1-CG2 3.49Å; Y299-V430 HydrophobicContact CE1-CG1 4.18Å; Y299-V430 HydrophobicContact CE1-CG2 4.24Å; Y299-V430 HydrophobicContact CG-CG2 4.3Å; V339-V430 HydrophobicContact CG2-CG2 4.15Å; D341-V430 HydrophobicContact CB-CG1 4.43Å; D341-V430 WeakPolarHBondContact OD2-CG1 3.41Å; H424-V430 PolarHBondContact CE1-O 3.13Å; H424-V430 PolarHBondContact ND1-O 3.15Å; L426-V430 WeakPolarHBondContact CD1-O 3.38Å; V430-D432 VanDerWaalsContact C-N 3.3Å; V430-D432 PolarHBondContact O-N 2.92Å; V430-D432 VanDerWaalsContact O-N 3.1Å
431	H	98.2	Very high	97.8	Very high	121 Å²	121	39.7 Å²	39.7	56%	0.56	22%	0.215	S	C	*	.	S	Bend	trans	-84.8	75.3	166.4	-65.5	168	0	0	0	109.7	H424	H424-H431 AromaticContact CD2-CD2 3.47Å; H424-H431 PolarHBondContact CD2-CD2 3.28Å; H424-H431 VanDerWaalsContact CD2-CD2 3.47Å; H424-H431 AromaticContact CD2-NE2 3.69Å; H424-H431 AromaticContact CE1-CD2 3.54Å; H424-H431 AromaticContact CG-CD2 3.55Å; H424-H431 AromaticContact ND1-CD2 3.59Å; H424-H431 AromaticContact NE2-CD2 3.46Å; H424-H431 PolarHBondContact NE2-CD2 3.19Å; H424-H431 AromaticContact NE2-NE2 3.71Å
432	D	97.9	Very high	97.7	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.027	21%	0.21	C	C	.	.			trans	-69	148.1	-172.6	-156.1	20.5	0	0	0	112.4	R243 K246 Y425 G427 D429 V430	R243-D432 IonicContact CZ-OD1 2.68Å; R243-D432 IonicContact NE-OD1 3.71Å; R243-D432 IonicContact NH2-OD1 2.82Å; R243-D432 PolarHBondContact NH2-OD1 2.82Å; K246-D432 IonicContact NZ-OD2 3.72Å; K246-D432 PolarHBondContact NZ-OD2 3.34Å; Y425-D432 WeakPolarHBondContact CB-O 3.35Å; Y425-D432 WeakPolarHBondContact O-CB 3.33Å; Y425-D432 PolarHBondContact O-N 2.79Å; G427-D432 VanDerWaalsContact CA-OD2 3.3Å; G427-D432 WeakPolarHBondContact CA-OD2 3.2Å; G427-D432 PolarHBondContact N-OD2 2.99Å; D429-D432 WeakPolarHBondContact O-CB 3.25Å; V430-D432 VanDerWaalsContact C-N 3.3Å; V430-D432 PolarHBondContact O-N 2.92Å; V430-D432 VanDerWaalsContact O-N 3.1Å
433	T	97.1	Very high	97.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.			trans	48.7	53.3	167.7	61.5	0	0	0	0	116.3	H240 R243 A244 E435 L436	H240-T433 HydrophobicContact CB-CG2 3.93Å; H240-T433 VanDerWaalsContact O-CG2 3.3Å; H240-T433 WeakPolarHBondContact O-CG2 3.17Å; R243-T433 HydrophobicContact CB-CG2 3.69Å; A244-T433 HydrophobicContact CB-CG2 4.36Å; T433-E435 PolarHBondContact O-N 2.94Å; T433-L436 PolarHBondContact O-N 3.46Å
434	P	95.2	Very high	97.6	Very high	99 Å²	99	45.3 Å²	45.3	64%	0.643	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-7.4	-171.3	27	-38.1	0	0	0	115.7	L436	P434-L436 VanDerWaalsContact C-N 3.3Å
435	E	95.1	Very high	97.6	Very high	101 Å²	101	45.6 Å²	45.6	47%	0.472	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-15.9	175	-60.2	-67.1	154.9	0	0	112.2	R236 H240 T433	R236-E435 HydrophobicContact CB-CG 4.15Å; H240-E435 HydrophobicContact CB-CB 4.39Å; H240-E435 WeakPolarHBondContact ND1-CG 3.4Å; T433-E435 PolarHBondContact O-N 2.94Å
436	L	96.4	Very high	97.5	Very high	25 Å²	25	45.5 Å²	45.5	13%	0.131	25%	0.249	C	C	.	.	S	Bend	trans	-84.3	132.7	179.7	-85.5	79.4	0	0	0	110.4	H240 A244 Y425 T433 P434	H240-L436 HydrophobicContact CB-CD1 3.64Å; A244-L436 HydrophobicContact CB-CD2 3.35Å; Y425-L436 HydrophobicContact CD2-CB 4.3Å; Y425-L436 HydrophobicContact CE2-CB 3.82Å; T433-L436 PolarHBondContact O-N 3.46Å; P434-L436 VanDerWaalsContact C-N 3.3Å
437	S	97.1	Very high	97.5	Very high	62 Å²	62	45.5 Å²	45.5	43%	0.434	25%	0.25	S	C	.	.			trans	-68.2	143.3	178.1	178	0	0	0	0	111.4	Y425 S439 Q440	Y425-S437 PolarHBondContact OH-O 2.86Å; S437-S439 PolarHBondContact O-N 3.2Å; S437-S439 PolarHBondContact OG-N 3.39Å; S437-S439 PolarHBondContact OG-OG 3.37Å; S437-Q440 VanDerWaalsContact O-CG 3.26Å; S437-Q440 WeakPolarHBondContact O-CG 3.25Å; S437-Q440 PolarHBondContact O-N 2.9Å
438	R	98	Very high	97.5	Very high	98 Å²	98	45.5 Å²	45.5	37%	0.37	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-12.9	169.7	-68.1	-179.4	177.3	164.1	-3.1	113	S379 L380 D381	S379-R438 WeakPolarHBondContact CB-O 3.49Å; L380-R438 HydrophobicContact CB-CB 3.96Å; L380-R438 HydrophobicContact CB-CG 4.32Å; L380-R438 WeakPolarHBondContact CB-O 3.3Å; L380-R438 HydrophobicContact CD1-CG 4.1Å; L380-R438 PolarHBondContact N-O 3.1Å; L380-R438 VanDerWaalsContact N-O 3.12Å; D381-R438 PolarHBondContact N-O 3.23Å; D381-R438 VanDerWaalsContact N-O 3.11Å; D381-R438 VanDerWaalsContact OD1-CB 3.31Å; D381-R438 WeakPolarHBondContact OD1-CB 3.37Å
439	S	97.9	Very high	97.6	Very high	69 Å²	69	45.2 Å²	45.2	48%	0.483	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-12.1	175.5	-37.2	0	0	0	0	113.2	S379 D381 S437	S379-S439 WeakPolarHBondContact CB-O 3.45Å; D381-S439 WeakPolarHBondContact OD2-CA 3.34Å; D381-S439 WeakPolarHBondContact OD2-CB 3.31Å; D381-S439 PolarHBondContact OD2-N 3.05Å; D381-S439 PolarHBondContact OD2-OG 2.71Å; S437-S439 PolarHBondContact O-N 3.2Å; S437-S439 PolarHBondContact OG-N 3.39Å; S437-S439 PolarHBondContact OG-OG 3.37Å
440	Q	96.2	Very high	97.6	Very high	48 Å²	48	42.3 Å²	42.3	22%	0.224	23%	0.233	C	C	.	.	S	Bend	trans	-68.4	146.4	179.8	81.7	-171.7	-15.5	0	0	110.6	S379 Y425 S437 L442	S379-Q440 VanDerWaalsContact CB-O 3.26Å; S379-Q440 WeakPolarHBondContact CB-O 3.27Å; Y425-Q440 VanDerWaalsContact CZ-NE2 3.29Å; Y425-Q440 WeakPolarHBondContact OH-CG 3.42Å; Y425-Q440 PolarHBondContact OH-NE2 2.9Å; S437-Q440 VanDerWaalsContact O-CG 3.26Å; S437-Q440 WeakPolarHBondContact O-CG 3.25Å; S437-Q440 PolarHBondContact O-N 2.9Å; Q440-L442 PolarHBondContact O-N 3.36Å
441	P	97.4	Very high	97.6	Very high	76 Å²	76	42.4 Å²	42.4	49%	0.494	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-62.5	131.2	173.5	-21.2	33	0	0	0	111.3
442	L	97.6	Very high	97.6	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-63.5	145.8	172.3	-68	169.4	0	0	0	110.1	P376 G377 V378 I383 Y425 Q440 M446 I448 I480	P376-L442 WeakPolarHBondContact CA-O 3.26Å; G377-L442 PolarHBondContact N-O 3Å; V378-L442 WeakPolarHBondContact O-CB 3.4Å; V378-L442 WeakPolarHBondContact O-CD1 3.48Å; V378-L442 WeakPolarHBondContact O-CG 3.34Å; V378-L442 PolarHBondContact O-N 2.95Å; I383-L442 HydrophobicContact CD1-CD1 4.11Å; Y425-L442 HydrophobicContact CE1-CD2 4.11Å; Q440-L442 PolarHBondContact O-N 3.36Å; L442-M446 HydrophobicContact CD2-CB 4.46Å; L442-M446 HydrophobicContact CD2-SD 4Å; L442-I448 HydrophobicContact CD1-CD1 3.82Å; L442-I448 HydrophobicContact CD2-CD1 4.33Å; L442-I448 HydrophobicContact CD2-CG2 4.02Å; L442-I480 HydrophobicContact CB-CG1 4.21Å; L442-I480 HydrophobicContact CD1-CD1 3.96Å; L442-I480 HydrophobicContact CD1-CG1 4.36Å; L442-I480 HydrophobicContact CD2-CG1 4.49Å
443	Q	97.1	Very high	97.7	Very high	100 Å²	100	36.4 Å²	36.4	47%	0.467	20%	0.204	S	C	.	.			trans	-128.4	152.1	-179.3	-70.6	174.2	66.4	0	0	110.3	L245 G445 M446 I480	L245-Q443 HydrophobicContact CD2-CB 4.1Å; Q443-G445 PolarHBondContact O-N 2.93Å; Q443-M446 HydrophobicContact CB-CE 4.23Å; Q443-M446 HydrophobicContact CB-CG 4.37Å; Q443-M446 HydrophobicContact CB-SD 4.27Å; Q443-M446 HydrophobicContact CG-CE 4.47Å; Q443-M446 PolarHBondContact N-SD 3.06Å; Q443-M446 VanDerWaalsContact N-SD 3.44Å; Q443-M446 VanDerWaalsContact O-CB 3.3Å; Q443-M446 WeakPolarHBondContact O-CB 3.25Å; Q443-M446 WeakPolarHBondContact O-CG 3.25Å; Q443-M446 PolarHBondContact O-N 3.35Å; Q443-I480 WeakPolarHBondContact O-CB 3.2Å
444	P	98.1	Very high	97.8	Very high	41 Å²	41	36.4 Å²	36.4	27%	0.266	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	133.5	171.4	-26.2	34.3	0	0	0	111.8	P376 M446 I480 D482	P376-P444 HydrophobicContact CG-CG 3.9Å; P444-M446 VanDerWaalsContact C-N 3.35Å; P444-I480 WeakPolarHBondContact CA-O 3.47Å; P444-D482 VanDerWaalsContact CB-OD1 3.3Å; P444-D482 WeakPolarHBondContact CB-OD1 3.36Å; P444-D482 WeakPolarHBondContact CG-OD1 3.29Å
445	G	97.3	Very high	97.9	Very high	14 Å²	14	32.3 Å²	32.3	14%	0.144	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-8.6	-175.3	0	0	0	0	0	114.8	K246 Q443 I480	K246-G445 WeakPolarHBondContact CB-O 3.3Å; K246-G445 PolarHBondContact N-O 3.19Å; Q443-G445 PolarHBondContact O-N 2.93Å; G445-I480 PolarHBondContact N-O 2.77Å
446	M	98.6	Very high	98.1	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.02	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-69.6	140.3	166.6	-68.8	-174.2	170.3	0	0	110.4	A244 L245 Y425 L442 Q443 P444 V479 I480	A244-M446 WeakPolarHBondContact O-CA 3.33Å; L245-M446 HydrophobicContact CD2-CE 4.29Å; L245-M446 HydrophobicContact CD2-CG 3.84Å; Y425-M446 HydrophobicContact CE1-SD 4.09Å; L442-M446 HydrophobicContact CD2-CB 4.46Å; L442-M446 HydrophobicContact CD2-SD 4Å; Q443-M446 HydrophobicContact CB-CE 4.23Å; Q443-M446 HydrophobicContact CB-CG 4.37Å; Q443-M446 HydrophobicContact CB-SD 4.27Å; Q443-M446 HydrophobicContact CG-CE 4.47Å; Q443-M446 PolarHBondContact N-SD 3.06Å; Q443-M446 VanDerWaalsContact N-SD 3.44Å; Q443-M446 VanDerWaalsContact O-CB 3.3Å; Q443-M446 WeakPolarHBondContact O-CB 3.25Å; Q443-M446 WeakPolarHBondContact O-CG 3.25Å; Q443-M446 PolarHBondContact O-N 3.35Å; P444-M446 VanDerWaalsContact C-N 3.35Å; M446-V479 WeakPolarHBondContact O-CA 3.48Å; M446-I480 HydrophobicContact CB-CG1 4.24Å; M446-I480 WeakPolarHBondContact O-CG1 3.16Å; M446-I480 PolarHBondContact O-N 3.02Å
447	A	98.8	Very high	98.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	135	173.9	0	0	0	0	0	110.1	K246 M254 Y425 L426 V478 V479	K246-A447 HydrophobicContact CD-CB 4.17Å; M254-A447 HydrophobicContact CE-CB 3.61Å; M254-A447 HydrophobicContact SD-CB 4.05Å; Y425-A447 WeakPolarHBondContact CA-O 3.35Å; L426-A447 PolarHBondContact N-O 2.9Å; L426-A447 WeakPolarHBondContact O-CB 3.32Å; A447-V478 CarbonylContact C-O 3.6Å; A447-V478 WeakPolarHBondContact CA-O 3.5Å; A447-V479 HydrophobicContact CB-CG2 4.02Å
448	I	98.9	Very high	98.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	161.5	-177.8	62.1	176.2	0	0	0	111	L380 I383 H424 Y425 L442 I450 V478 I480	L380-I448 HydrophobicContact CD1-CG2 4.07Å; L380-I448 HydrophobicContact CD2-CB 4.39Å; L380-I448 HydrophobicContact CD2-CD1 3.89Å; L380-I448 HydrophobicContact CD2-CG2 4.42Å; L380-I448 HydrophobicContact CG-CD1 4.43Å; L380-I448 HydrophobicContact CG-CG2 4.34Å; I383-I448 HydrophobicContact CD1-CD1 4.48Å; H424-I448 CarbonylContact O-C 3.36Å; H424-I448 WeakPolarHBondContact O-CA 3.33Å; H424-I448 VanDerWaalsContact O-CB 3.28Å; H424-I448 WeakPolarHBondContact O-CB 3.23Å; Y425-I448 HydrophobicContact CD1-CG2 3.64Å; Y425-I448 HydrophobicContact CE1-CG2 4.01Å; Y425-I448 HydrophobicContact CG-CG2 4.44Å; L442-I448 HydrophobicContact CD1-CD1 3.82Å; L442-I448 HydrophobicContact CD2-CD1 4.33Å; L442-I448 HydrophobicContact CD2-CG2 4.02Å; I448-I450 HydrophobicContact CD1-CD1 4.16Å; I448-V478 HydrophobicContact CD1-CG2 4.08Å; I448-V478 HydrophobicContact CG1-CG2 3.37Å; I448-V478 PolarHBondContact N-O 2.87Å; I448-V478 WeakPolarHBondContact O-CG2 3.39Å; I448-V478 PolarHBondContact O-N 3.29Å; I448-I480 HydrophobicContact CD1-CD1 4.27Å
449	T	98.9	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	155.8	165	58	0	0	0	0	111.1	D341 G423 H424 L426 E475 D476	D341-T449 HydrophobicContact CB-CG2 3.82Å; G423-T449 WeakPolarHBondContact CA-O 3.35Å; G423-T449 VanDerWaalsContact CA-OG1 3.27Å; G423-T449 WeakPolarHBondContact CA-OG1 3.3Å; H424-T449 PolarHBondContact CD2-OG1 3.37Å; H424-T449 VanDerWaalsContact CD2-OG1 3.25Å; H424-T449 WeakPolarHBondContact CE1-CG2 3.42Å; H424-T449 PolarHBondContact N-OG1 3.45Å; H424-T449 PolarHBondContact NE2-OG1 2.9Å; H424-T449 PolarHBondContact O-N 2.93Å; L426-T449 HydrophobicContact CD1-CG2 4.4Å; L426-T449 HydrophobicContact CD2-CG2 4.38Å; T449-E475 WeakPolarHBondContact CB-OE1 3.33Å; T449-D476 CarbonylContact C-O 3.47Å; T449-D476 WeakPolarHBondContact CA-O 3.34Å
450	I	98.9	Very high	98.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	104.5	167.5	-62.7	-65.7	0	0	0	109.1	Q367 C370 L371 I383 V422 I448 E475 D476 V478	Q367-I450 HydrophobicContact CG-CG2 4.4Å; C370-I450 HydrophobicContact CB-CG2 3.6Å; L371-I450 HydrophobicContact CD2-CB 3.96Å; L371-I450 HydrophobicContact CD2-CG1 4.02Å; L371-I450 HydrophobicContact CD2-CG2 4.25Å; L371-I450 HydrophobicContact CG-CB 4.48Å; L371-I450 HydrophobicContact CG-CG2 4.23Å; I383-I450 HydrophobicContact CD1-CD1 4.36Å; I383-I450 HydrophobicContact CG2-CD1 4.04Å; V422-I450 HydrophobicContact CG2-CD1 4.45Å; V422-I450 HydrophobicContact CG2-CG2 4.46Å; V422-I450 CarbonylContact O-C 3.59Å; V422-I450 WeakPolarHBondContact O-CA 3.44Å; I448-I450 HydrophobicContact CD1-CD1 4.16Å; I450-E475 VanDerWaalsContact O-CA 3.26Å; I450-E475 WeakPolarHBondContact O-CA 3.26Å; I450-D476 PolarHBondContact N-O 3.19Å; I450-D476 PolarHBondContact O-N 3.2Å; I450-D476 VanDerWaalsContact O-N 3.11Å; I450-V478 HydrophobicContact CG1-CG2 4.23Å
451	E	98.9	Very high	98	Very high	24 Å²	24	34.2 Å²	34.2	11%	0.112	19%	0.187	C	C	.	.			trans	-132.7	46.8	-159.3	54.9	161.6	143	0	0	115.1	H420 V422 G423 H424 I474 E475	H420-E451 PolarHBondContact CE1-O 3.3Å; H420-E451 IonicContact CE1-OE2 3.49Å; H420-E451 IonicContact ND1-OE2 3.69Å; V422-E451 VanDerWaalsContact O-CG 3.28Å; V422-E451 WeakPolarHBondContact O-CG 3.33Å; V422-E451 PolarHBondContact O-N 2.99Å; G423-E451 WeakPolarHBondContact CA-OE1 3.46Å; H424-E451 IonicContact CD2-OE1 3.23Å; H424-E451 PolarHBondContact CD2-OE1 2.89Å; H424-E451 IonicContact NE2-OE1 3.48Å; E451-I474 WeakPolarHBondContact CA-O 3.44Å; E451-E475 HydrophobicContact CB-CB 3.58Å; E451-E475 HydrophobicContact CB-CG 3.63Å; E451-E475 WeakPolarHBondContact CB-OE1 3.23Å
452	P	98.9	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.			trans	-59.6	149.3	178.5	28.9	-37.2	0	0	0	112.8	V363 V366 Q367 M387 R473 I474	V363-P452 HydrophobicContact CG1-CB 4.49Å; V363-P452 HydrophobicContact CG1-CG 4.39Å; V363-P452 WeakPolarHBondContact CG1-O 3.43Å; V366-P452 HydrophobicContact CG1-CB 3.97Å; V366-P452 HydrophobicContact CG1-CG 4.34Å; Q367-P452 HydrophobicContact CB-CG 3.51Å; Q367-P452 HydrophobicContact CG-CG 3.73Å; M387-P452 HydrophobicContact CG-CB 3.93Å; M387-P452 HydrophobicContact SD-CB 3.71Å; P452-R473 WeakPolarHBondContact O-CA 3.32Å; P452-I474 WeakPolarHBondContact CD-O 3.36Å; P452-I474 PolarHBondContact O-N 3.16Å
453	G	98.8	Very high	97.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	164.7	174.3	0	0	0	0	0	114.2	C418 V472	C418-G453 VanDerWaalsContact CB-O 3.23Å; C418-G453 WeakPolarHBondContact CB-O 3.38Å; C418-G453 PolarHBondContact SG-O 2.8Å; C418-G453 VanDerWaalsContact SG-O 3.4Å; G453-V472 CarbonylContact C-O 3.48Å; G453-V472 WeakPolarHBondContact CA-O 3.4Å
454	L	98.9	Very high	97.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	127.9	170	-75.6	176.8	0	0	0	109	L359 V363 L391 L395 Y417 G471 V472	L359-L454 HydrophobicContact CD1-CB 4.05Å; L359-L454 HydrophobicContact CD1-CD1 3.69Å; V363-L454 HydrophobicContact CG2-CB 3.98Å; V363-L454 HydrophobicContact CG2-CD1 3.91Å; V363-L454 HydrophobicContact CG2-CG 3.88Å; L391-L454 HydrophobicContact CD2-CD1 4.2Å; L391-L454 HydrophobicContact CD2-CD2 3.88Å; L391-L454 HydrophobicContact CD2-CG 3.83Å; L395-L454 HydrophobicContact CD2-CD1 4.46Å; L395-L454 HydrophobicContact CD2-CD2 4Å; L395-L454 HydrophobicContact CG-CD2 4.41Å; Y417-L454 WeakPolarHBondContact O-CA 3.45Å; L454-G471 WeakPolarHBondContact O-CA 3.33Å; L454-V472 PolarHBondContact N-O 3.19Å; L454-V472 PolarHBondContact O-N 3.27Å
455	Y	98.8	Very high	97.8	Very high	13 Å²	13	38.1 Å²	38.1	5%	0.051	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	113.1	-176.8	-50.2	-80.5	0	0	0	110	A309 N310 L312 L328 Y417 H420 R473	A309-Y455 VanDerWaalsContact O-CD1 3.27Å; A309-Y455 WeakPolarHBondContact O-CD1 3.41Å; N310-Y455 VanDerWaalsContact OD1-C 3.26Å; N310-Y455 WeakPolarHBondContact OD1-CA 3.09Å; N310-Y455 VanDerWaalsContact OD1-CB 3.25Å; N310-Y455 WeakPolarHBondContact OD1-CB 3.47Å; L312-Y455 HydrophobicContact CD2-CD1 4Å; L312-Y455 HydrophobicContact CD2-CD2 3.8Å; L312-Y455 HydrophobicContact CD2-CE1 3.66Å; L312-Y455 HydrophobicContact CD2-CE2 3.5Å; L312-Y455 VanDerWaalsContact CD2-CE2 3.5Å; L312-Y455 HydrophobicContact CD2-CG 4.05Å; L328-Y455 HydrophobicContact CD1-CE1 4.12Å; Y417-Y455 WeakPolarHBondContact CD1-O 3.35Å; Y417-Y455 VanDerWaalsContact O-CD2 3.25Å; Y417-Y455 WeakPolarHBondContact O-CD2 3.39Å; Y417-Y455 PolarHBondContact O-N 3.05Å; H420-Y455 AromaticContact CD2-CE2 3.57Å; H420-Y455 AromaticContact CD2-CZ 3.95Å; H420-Y455 AromaticContact NE2-CE2 3.19Å; H420-Y455 WeakPolarHBondContact NE2-CE2 3.5Å; H420-Y455 AromaticContact NE2-CZ 3.42Å; H420-Y455 PolarHBondContact NE2-OH 3.4Å; Y455-R473 WeakPolarHBondContact OH-CD 3.3Å; Y455-R473 PolarHBondContact OH-NH1 2.98Å
456	I	98.6	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.			trans	-118	100.5	-175.6	-53.7	171.2	0	0	0	107.7	N310 L359 I400 Y417 V463 F467 G469 L470	N310-I456 PolarHBondContact ND2-O 3.37Å; N310-I456 PolarHBondContact OD1-N 3.5Å; L359-I456 HydrophobicContact CD1-CD1 3.88Å; L359-I456 HydrophobicContact CD2-CD1 4.09Å; I400-I456 HydrophobicContact CD1-CD1 3.51Å; I400-I456 HydrophobicContact CG1-CD1 4.31Å; Y417-I456 HydrophobicContact CD1-CG1 4.28Å; I456-V463 HydrophobicContact CG2-CB 4.39Å; I456-V463 HydrophobicContact CG2-CG1 4.37Å; I456-V463 HydrophobicContact CG2-CG2 3.57Å; I456-F467 HydrophobicContact CD1-CB 3.79Å; I456-F467 HydrophobicContact CD1-CG 4.46Å; I456-F467 WeakPolarHBondContact CG2-O 3.44Å; I456-G469 CarbonylContact O-C 3.44Å; I456-G469 VanDerWaalsContact O-CA 3.23Å; I456-G469 WeakPolarHBondContact O-CA 3.46Å; I456-G469 PolarHBondContact O-N 3.47Å; I456-L470 PolarHBondContact N-O 3.15Å; I456-L470 PolarHBondContact O-N 3.22Å
457	C	97.6	Very high	97.8	Very high	52 Å²	52	42.8 Å²	42.8	35%	0.351	22%	0.216	S	C	.	.			trans	-60.9	149.1	-179.2	-61.2	0	0	0	0	111.8	D459 D460	C457-D459 WeakPolarHBondContact CB-OD1 3.2Å; C457-D459 PolarHBondContact O-N 3.23Å; C457-D460 PolarHBondContact O-N 3.28Å
458	E	97.9	Very high	97.8	Very high	127 Å²	127	46.2 Å²	46.2	59%	0.593	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.1	-179.4	72.1	-172.5	135.2	0	0	114	N307 R468	N307-E458 HydrophobicContact CB-CB 4.27Å; N307-E458 WeakPolarHBondContact ND2-CG 3.48Å; N307-E458 PolarHBondContact ND2-OE1 2.89Å; N307-E458 PolarHBondContact OD1-N 3.19Å; E458-R468 WeakPolarHBondContact O-CD 3.19Å
459	D	97.1	Very high	97.8	Very high	129 Å²	129	46.7 Å²	46.7	69%	0.69	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	2.8	-178.6	65.6	-25.6	0	0	0	113.7	C457 D461	C457-D459 WeakPolarHBondContact CB-OD1 3.2Å; C457-D459 PolarHBondContact O-N 3.23Å; D459-D461 PolarHBondContact O-N 3.29Å
460	D	96.9	Very high	97.8	Very high	15 Å²	15	47.8 Å²	47.8	8%	0.08	24%	0.24	C	C	.	.			trans	-75.7	87.5	176.1	-157.1	-28.1	0	0	0	110.8	R416 Y417 C457 Q462 V463 R468	R416-D460 IonicContact CZ-OD2 2.74Å; R416-D460 IonicContact NE-OD2 2.84Å; R416-D460 VanDerWaalsContact NH2-CG 3.33Å; R416-D460 IonicContact NH2-OD1 3.7Å; R416-D460 PolarHBondContact NH2-OD1 3.03Å; R416-D460 IonicContact NH2-OD2 2.69Å; R416-D460 PolarHBondContact NH2-OD2 2.83Å; Y417-D460 PolarHBondContact OH-OD2 3.11Å; C457-D460 PolarHBondContact O-N 3.28Å; D460-Q462 PolarHBondContact O-N 3.14Å; D460-Q462 VanDerWaalsContact O-N 3.17Å; D460-Q462 WeakPolarHBondContact OD1-CB 3.5Å; D460-Q462 PolarHBondContact OD1-N 2.95Å; D460-V463 HydrophobicContact CB-CG1 4.36Å; D460-V463 HydrophobicContact CB-CG2 4.34Å; D460-V463 WeakPolarHBondContact O-CG2 3.49Å; D460-V463 PolarHBondContact O-N 2.59Å; D460-R468 WeakPolarHBondContact O-CD 3.46Å; D460-R468 PolarHBondContact O-NE 2.98Å
461	D	95	Very high	97.8	Very high	120 Å²	120	47.9 Å²	47.9	64%	0.642	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-6.5	-179.7	69.1	-6.1	0	0	0	114.1	D459 R468	D459-D461 PolarHBondContact O-N 3.29Å; D461-R468 PolarHBondContact O-NH2 2.96Å
462	Q	92.8	Very high	97.8	Very high	136 Å²	136	46.8 Å²	46.8	64%	0.636	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-7.8	-178.6	-53.7	-174.8	17.4	0	0	113.3	D460	D460-Q462 PolarHBondContact O-N 3.14Å; D460-Q462 VanDerWaalsContact O-N 3.17Å; D460-Q462 WeakPolarHBondContact OD1-CB 3.5Å; D460-Q462 PolarHBondContact OD1-N 2.95Å
463	V	96.3	Very high	97.8	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.03	24%	0.237	C	C	.	.	S	Bend	trans	-109.6	160.1	-178.3	-47.2	0	0	0	0	111.1	I400 Y417 I456 D460 D465 R468	I400-V463 HydrophobicContact CG2-CB 4.32Å; I400-V463 HydrophobicContact CG2-CG1 3.77Å; Y417-V463 HydrophobicContact CE1-CG1 4.24Å; Y417-V463 WeakPolarHBondContact OH-CG1 3.37Å; I456-V463 HydrophobicContact CG2-CB 4.39Å; I456-V463 HydrophobicContact CG2-CG1 4.37Å; I456-V463 HydrophobicContact CG2-CG2 3.57Å; D460-V463 HydrophobicContact CB-CG1 4.36Å; D460-V463 HydrophobicContact CB-CG2 4.34Å; D460-V463 WeakPolarHBondContact O-CG2 3.49Å; D460-V463 PolarHBondContact O-N 2.59Å; V463-D465 PolarHBondContact O-N 2.96Å; V463-R468 HydrophobicContact CG2-CG 3.64Å; V463-R468 PolarHBondContact O-NH2 2.91Å
464	P	97.8	Very high	97.8	Very high	42 Å²	42	47.1 Å²	47.1	27%	0.273	24%	0.237	S	C	.	.			trans	-56.9	130	173.9	-23.7	33.3	0	0	0	112	R466 F467	P464-R466 HydrophobicContact CB-CG 4.33Å; P464-R466 PolarHBondContact O-N 3.05Å; P464-F467 HydrophobicContact CB-CD2 3.96Å; P464-F467 HydrophobicContact CB-CE2 4.42Å; P464-F467 HydrophobicContact CG-CD2 4.11Å; P464-F467 HydrophobicContact CG-CE2 4.4Å; P464-F467 PolarHBondContact O-N 3.45Å
465	D	97.8	Very high	97.8	Very high	118 Å²	118	47.2 Å²	47.2	63%	0.631	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-48	-36.8	-175.7	-66.9	32.5	0	0	0	113.6	V463 F467 R468	V463-D465 PolarHBondContact O-N 2.96Å; D465-F467 PolarHBondContact O-N 2.99Å; D465-F467 VanDerWaalsContact O-N 3.16Å; D465-R468 PolarHBondContact O-N 3.39Å; D465-R468 IonicContact OD1-CZ 2.78Å; D465-R468 IonicContact OD1-NH1 3.18Å; D465-R468 PolarHBondContact OD1-NH1 3.49Å; D465-R468 IonicContact OD1-NH2 3.26Å; D465-R468 PolarHBondContact OD1-NH2 2.79Å; D465-R468 IonicContact OD2-NH1 2.66Å; D465-R468 PolarHBondContact OD2-NH1 3.39Å
466	R	97.8	Very high	97.8	Very high	117 Å²	117	46.6 Å²	46.6	44%	0.442	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-63.4	-17.8	-179.2	70.9	-179.4	-176.8	139.9	2	115.1	A355 E358 P464	A355-R466 HydrophobicContact CB-CB 3.99Å; A355-R466 HydrophobicContact CB-CG 4.1Å; A355-R466 VanDerWaalsContact CB-O 3.28Å; A355-R466 WeakPolarHBondContact CB-O 3.38Å; E358-R466 IonicContact OE1-CZ 3.58Å; E358-R466 IonicContact OE1-NH1 2.73Å; E358-R466 PolarHBondContact OE1-NH1 3.05Å; E358-R466 IonicContact OE1-NH2 2.75Å; E358-R466 IonicContact OE2-CZ 3.6Å; E358-R466 IonicContact OE2-NH1 2.93Å; E358-R466 PolarHBondContact OE2-NH1 3.15Å; E358-R466 IonicContact OE2-NH2 3.62Å; E358-R466 PolarHBondContact OE2-NH2 2.69Å; P464-R466 HydrophobicContact CB-CG 4.33Å; P464-R466 PolarHBondContact O-N 3.05Å
467	F	98.6	Very high	97.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-103	-10.7	179.2	-65	-58.3	0	0	0	113.5	A355 E358 L359 L398 I400 I456 P464 D465 G469 L470	A355-F467 HydrophobicContact CB-CD1 4.32Å; A355-F467 HydrophobicContact CB-CE1 4.27Å; A355-F467 WeakPolarHBondContact O-CE1 3.38Å; E358-F467 HydrophobicContact CB-CE1 4.29Å; E358-F467 HydrophobicContact CB-CZ 4.41Å; L359-F467 HydrophobicContact CB-CD1 4.25Å; L359-F467 HydrophobicContact CB-CE1 4.22Å; L398-F467 HydrophobicContact CB-CE2 4.15Å; L398-F467 HydrophobicContact CB-CZ 4.19Å; L398-F467 HydrophobicContact CD2-CE1 4.35Å; L398-F467 HydrophobicContact CD2-CZ 3.84Å; L398-F467 WeakPolarHBondContact O-CE2 3.27Å; I400-F467 HydrophobicContact CD1-CD2 4.38Å; I400-F467 HydrophobicContact CG1-CD2 4.02Å; I400-F467 HydrophobicContact CG1-CE2 4.42Å; I456-F467 HydrophobicContact CD1-CB 3.79Å; I456-F467 HydrophobicContact CD1-CG 4.46Å; I456-F467 WeakPolarHBondContact CG2-O 3.44Å; P464-F467 HydrophobicContact CB-CD2 3.96Å; P464-F467 HydrophobicContact CB-CE2 4.42Å; P464-F467 HydrophobicContact CG-CD2 4.11Å; P464-F467 HydrophobicContact CG-CE2 4.4Å; P464-F467 PolarHBondContact O-N 3.45Å; D465-F467 PolarHBondContact O-N 2.99Å; D465-F467 VanDerWaalsContact O-N 3.16Å; F467-G469 PolarHBondContact O-N 3.48Å; F467-L470 HydrophobicContact CD1-CD1 4.2Å; F467-L470 WeakPolarHBondContact O-CB 3.46Å; F467-L470 WeakPolarHBondContact O-CG 3.49Å; F467-L470 PolarHBondContact O-N 2.82Å
468	R	98.4	Very high	97.8	Very high	73 Å²	73	44.2 Å²	44.2	28%	0.275	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	133.7	-179	-67.9	-173.8	-171.4	133.9	14.8	110.4	E458 D460 D461 V463 D465 L470	E458-R468 WeakPolarHBondContact O-CD 3.19Å; D460-R468 WeakPolarHBondContact O-CD 3.46Å; D460-R468 PolarHBondContact O-NE 2.98Å; D461-R468 PolarHBondContact O-NH2 2.96Å; V463-R468 HydrophobicContact CG2-CG 3.64Å; V463-R468 PolarHBondContact O-NH2 2.91Å; D465-R468 PolarHBondContact O-N 3.39Å; D465-R468 IonicContact OD1-CZ 2.78Å; D465-R468 IonicContact OD1-NH1 3.18Å; D465-R468 PolarHBondContact OD1-NH1 3.49Å; D465-R468 IonicContact OD1-NH2 3.26Å; D465-R468 PolarHBondContact OD1-NH2 2.79Å; D465-R468 IonicContact OD2-NH1 2.66Å; D465-R468 PolarHBondContact OD2-NH1 3.39Å; R468-L470 VanDerWaalsContact C-N 3.32Å
469	G	98.3	Very high	97.9	Very high	10 Å²	10	38.4 Å²	38.4	10%	0.103	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	4.3	-178.4	0	0	0	0	0	114.8	G306 N307 I456 F467	G306-G469 CarbonylContact C-O 3.53Å; N307-G469 VanDerWaalsContact CA-O 3.32Å; N307-G469 WeakPolarHBondContact CA-O 3.33Å; N307-G469 PolarHBondContact N-O 3.02Å; I456-G469 CarbonylContact O-C 3.44Å; I456-G469 VanDerWaalsContact O-CA 3.23Å; I456-G469 WeakPolarHBondContact O-CA 3.46Å; I456-G469 PolarHBondContact O-N 3.47Å; F467-G469 PolarHBondContact O-N 3.48Å
470	L	98.9	Very high	97.9	Very high	23 Å²	23	32.4 Å²	32.4	12%	0.12	16%	0.159	C	C	.	.			trans	-92.7	127.6	176	-56.1	-174	0	0	0	111	N310 M326 Q356 L359 I456 F467 R468	N310-L470 PolarHBondContact OD1-O 3.38Å; M326-L470 HydrophobicContact CE-CB 4.43Å; M326-L470 HydrophobicContact CE-CD2 4.24Å; Q356-L470 HydrophobicContact CG-CD1 4.22Å; Q356-L470 HydrophobicContact CG-CD2 4.13Å; L359-L470 HydrophobicContact CD2-CB 3.51Å; L359-L470 HydrophobicContact CD2-CD1 4.12Å; L359-L470 HydrophobicContact CD2-CG 4.48Å; I456-L470 PolarHBondContact N-O 3.15Å; I456-L470 PolarHBondContact O-N 3.22Å; F467-L470 HydrophobicContact CD1-CD1 4.2Å; F467-L470 WeakPolarHBondContact O-CB 3.46Å; F467-L470 WeakPolarHBondContact O-CG 3.49Å; F467-L470 PolarHBondContact O-N 2.82Å; R468-L470 VanDerWaalsContact C-N 3.32Å
471	G	98.8	Very high	97.8	Very high	2 Å²	2	35 Å²	35	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.2	168.7	0	0	0	0	0	110.4	N310 L454	N310-G471 WeakPolarHBondContact OD1-CA 3.5Å; L454-G471 WeakPolarHBondContact O-CA 3.33Å
472	V	98.9	Very high	97.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.4	179	178.6	0	0	0	0	109.4	M326 T345 L359 Y360 V363 G453 L454 I474	M326-V472 HydrophobicContact CE-CG2 3.59Å; T345-V472 HydrophobicContact CG2-CG2 4.21Å; L359-V472 HydrophobicContact CD2-CG2 3.94Å; L359-V472 HydrophobicContact CG-CG2 4.14Å; Y360-V472 HydrophobicContact CD2-CG1 3.81Å; Y360-V472 HydrophobicContact CE2-CG1 4.4Å; V363-V472 HydrophobicContact CB-CG1 4.02Å; V363-V472 HydrophobicContact CG1-CG1 4.16Å; V363-V472 HydrophobicContact CG2-CB 4.19Å; V363-V472 HydrophobicContact CG2-CG1 4.06Å; G453-V472 CarbonylContact C-O 3.48Å; G453-V472 WeakPolarHBondContact CA-O 3.4Å; L454-V472 PolarHBondContact N-O 3.19Å; L454-V472 PolarHBondContact O-N 3.27Å; V472-I474 HydrophobicContact CG1-CD1 4.48Å; V472-I474 HydrophobicContact CG1-CG1 4.21Å
473	R	98.9	Very high	96.7	Very high	8 Å²	8	34.7 Å²	34.7	3%	0.03	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	140.3	165	178.8	169.2	64.9	-105.9	12.6	108.9	L328 D330 T343 T345 P452 Y455	L328-R473 HydrophobicContact CD1-CB 3.86Å; D330-R473 IonicContact OD2-CZ 2.97Å; D330-R473 IonicContact OD2-NE 3.38Å; D330-R473 IonicContact OD2-NH2 3.82Å; D330-R473 PolarHBondContact OD2-NH2 2.84Å; T343-R473 HydrophobicContact CG2-CB 3.79Å; T343-R473 HydrophobicContact CG2-CG 3.88Å; T343-R473 PolarHBondContact OG1-NE 3Å; T343-R473 VanDerWaalsContact OG1-NE 3.1Å; T345-R473 PolarHBondContact OG1-N 3.45Å; T345-R473 PolarHBondContact OG1-O 3.38Å; P452-R473 WeakPolarHBondContact O-CA 3.32Å; Y455-R473 WeakPolarHBondContact OH-CD 3.3Å; Y455-R473 PolarHBondContact OH-NH1 2.98Å
474	I	98.9	Very high	95.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.			trans	-131.1	119.4	177.1	-56.4	174.7	0	0	0	107.2	Y360 V363 L364 Q367 E451 P452 V472 K495	Y360-I474 HydrophobicContact CD1-CD1 4.46Å; Y360-I474 HydrophobicContact CD2-CD1 4.19Å; Y360-I474 HydrophobicContact CE1-CD1 4.02Å; Y360-I474 HydrophobicContact CE2-CD1 3.71Å; Y360-I474 HydrophobicContact CE2-CG1 4.07Å; V363-I474 HydrophobicContact CB-CD1 4.43Å; V363-I474 HydrophobicContact CG1-CB 4.42Å; V363-I474 HydrophobicContact CG1-CD1 4.17Å; V363-I474 HydrophobicContact CG1-CG1 4.13Å; L364-I474 HydrophobicContact CB-CD1 3.77Å; L364-I474 HydrophobicContact CD1-CD1 4.09Å; Q367-I474 HydrophobicContact CG-CB 4.37Å; Q367-I474 HydrophobicContact CG-CG2 4.17Å; E451-I474 WeakPolarHBondContact CA-O 3.44Å; P452-I474 WeakPolarHBondContact CD-O 3.36Å; P452-I474 PolarHBondContact O-N 3.16Å; V472-I474 HydrophobicContact CG1-CD1 4.48Å; V472-I474 HydrophobicContact CG1-CG1 4.21Å; I474-K495 HydrophobicContact CG2-CB 4.31Å; I474-K495 HydrophobicContact CG2-CD 4.38Å
475	E	98.9	Very high	95.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.216	C	C	.	.			trans	-130.4	134.8	-171.1	167	170.2	-133	0	0	112.8	T343 R344 T449 I450 E451	T343-E475 WeakPolarHBondContact CB-OE2 3.05Å; T343-E475 PolarHBondContact N-OE2 2.79Å; T343-E475 PolarHBondContact O-N 3.16Å; T343-E475 VanDerWaalsContact O-N 3.1Å; T343-E475 PolarHBondContact OG1-OE2 3.05Å; R344-E475 PolarHBondContact NH1-O 2.88Å; T449-E475 WeakPolarHBondContact CB-OE1 3.33Å; I450-E475 VanDerWaalsContact O-CA 3.26Å; I450-E475 WeakPolarHBondContact O-CA 3.26Å; E451-E475 HydrophobicContact CB-CB 3.58Å; E451-E475 HydrophobicContact CB-CG 3.63Å; E451-E475 WeakPolarHBondContact CB-OE1 3.23Å
476	D	98.9	Very high	94.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145.5	174.7	-78.8	-50.3	0	0	0	111.7	R344 Q367 L371 T449 I450 I488 S490 K495	R344-D476 IonicContact CZ-OD1 3.22Å; R344-D476 IonicContact NH1-OD1 3.44Å; R344-D476 IonicContact NH2-OD1 2.7Å; R344-D476 PolarHBondContact NH2-OD1 3.14Å; R344-D476 IonicContact NH2-OD2 2.87Å; Q367-D476 PolarHBondContact NE2-OD2 3.48Å; L371-D476 HydrophobicContact CD2-CB 4.37Å; T449-D476 CarbonylContact C-O 3.47Å; T449-D476 WeakPolarHBondContact CA-O 3.34Å; I450-D476 PolarHBondContact N-O 3.19Å; I450-D476 PolarHBondContact O-N 3.2Å; I450-D476 VanDerWaalsContact O-N 3.11Å; D476-I488 HydrophobicContact CB-CG2 4.03Å; D476-S490 WeakPolarHBondContact CA-OG 3.45Å; D476-S490 WeakPolarHBondContact CB-OG 3.43Å; D476-S490 WeakPolarHBondContact OD1-CB 3.33Å; D476-S490 PolarHBondContact OD1-OG 3.26Å; D476-K495 IonicContact OD2-NZ 3.79Å; D476-K495 PolarHBondContact OD2-NZ 3.05Å
477	D	98.9	Very high	94.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	128.7	171.8	-66.6	-29.5	0	0	0	110.1	S340 D341 L426 I488 L489 S490	S340-D477 VanDerWaalsContact CA-OD2 3.24Å; S340-D477 WeakPolarHBondContact CA-OD2 3Å; S340-D477 WeakPolarHBondContact CB-OD2 3.39Å; D341-D477 PolarHBondContact N-OD1 2.87Å; D341-D477 PolarHBondContact N-OD2 3.38Å; L426-D477 HydrophobicContact CD2-CB 3.95Å; L426-D477 WeakPolarHBondContact CD2-OD1 3.44Å; D477-I488 CarbonylContact O-C 3.55Å; D477-L489 HydrophobicContact CB-CB 3.95Å; D477-L489 HydrophobicContact CB-CD1 4.18Å; D477-L489 HydrophobicContact CB-CG 4.44Å; D477-L489 PolarHBondContact O-N 3.36Å; D477-S490 PolarHBondContact N-OG 3.15Å
478	V	98.5	Very high	94.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.7	179.8	-59	0	0	0	0	113.4	L371 C374 A447 I448 I450 P486 L487 I488	L371-V478 HydrophobicContact CD2-CG1 3.4Å; C374-V478 HydrophobicContact CB-CG2 4.43Å; A447-V478 CarbonylContact C-O 3.6Å; A447-V478 WeakPolarHBondContact CA-O 3.5Å; I448-V478 HydrophobicContact CD1-CG2 4.08Å; I448-V478 HydrophobicContact CG1-CG2 3.37Å; I448-V478 PolarHBondContact N-O 2.87Å; I448-V478 WeakPolarHBondContact O-CG2 3.39Å; I448-V478 PolarHBondContact O-N 3.29Å; I450-V478 HydrophobicContact CG1-CG2 4.23Å; V478-P486 HydrophobicContact CB-CB 4.23Å; V478-L487 CarbonylContact C-O 3.41Å; V478-L487 VanDerWaalsContact CA-O 3.3Å; V478-L487 WeakPolarHBondContact CA-O 3.3Å; V478-I488 HydrophobicContact CG1-CB 4.46Å; V478-I488 HydrophobicContact CG1-CG1 4.04Å; V478-I488 HydrophobicContact CG1-CG2 4.46Å
479	V	98.7	Very high	94.9	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.036	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.4	168.4	-178.7	0	0	0	0	109.1	V251 M446 A447 L487 L489	V251-V479 HydrophobicContact CG1-CG2 4.32Å; V251-V479 HydrophobicContact CG2-CG1 4.05Å; V251-V479 HydrophobicContact CG2-CG2 4.41Å; M446-V479 WeakPolarHBondContact O-CA 3.48Å; A447-V479 HydrophobicContact CB-CG2 4.02Å; V479-L487 HydrophobicContact CB-CB 4.29Å; V479-L487 PolarHBondContact N-O 2.8Å; V479-L487 PolarHBondContact O-N 3.22Å; V479-L489 HydrophobicContact CG2-CD1 3.76Å; V479-L489 HydrophobicContact CG2-CD2 3.97Å; V479-L489 HydrophobicContact CG2-CG 4.01Å
480	I	98.4	Very high	94.9	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	18%	0.179	C	C	.	.			trans	-69.8	130	176.8	-51.9	-57.9	0	0	0	108.9	C374 P376 L442 Q443 P444 G445 M446 I448	C374-I480 HydrophobicContact CB-CD1 3.77Å; P376-I480 HydrophobicContact CG-CG2 4.06Å; L442-I480 HydrophobicContact CB-CG1 4.21Å; L442-I480 HydrophobicContact CD1-CD1 3.96Å; L442-I480 HydrophobicContact CD1-CG1 4.36Å; L442-I480 HydrophobicContact CD2-CG1 4.49Å; Q443-I480 WeakPolarHBondContact O-CB 3.2Å; P444-I480 WeakPolarHBondContact CA-O 3.47Å; G445-I480 PolarHBondContact N-O 2.77Å; M446-I480 HydrophobicContact CB-CG1 4.24Å; M446-I480 WeakPolarHBondContact O-CG1 3.16Å; M446-I480 PolarHBondContact O-N 3.02Å; I448-I480 HydrophobicContact CD1-CD1 4.27Å
481	Q	94.3	Very high	94.9	Very high	71 Å²	71	37.4 Å²	37.4	33%	0.332	20%	0.198	S	C	.	.			trans	-106.6	169.7	177.1	-61	-157.6	-35	0	0	111.2	P376 E483 L487	P376-Q481 WeakPolarHBondContact CD-O 3.49Å; P376-Q481 WeakPolarHBondContact CG-O 3.3Å; Q481-E483 PolarHBondContact O-N 2.8Å; Q481-L487 HydrophobicContact CG-CB 4.13Å
482	D	86.5	Confident	94.9	Very high	111 Å²	111	41.5 Å²	41.5	59%	0.594	22%	0.22	S	C	*	.	S	Bend	trans	-66.9	-25	170.1	-67.2	-51.3	0	0	0	112	P444	P444-D482 VanDerWaalsContact CB-OD1 3.3Å; P444-D482 WeakPolarHBondContact CB-OD1 3.36Å; P444-D482 WeakPolarHBondContact CG-OD1 3.29Å
483	E	78.7	Confident	94.8	Very high	137 Å²	137	41.6 Å²	41.6	64%	0.64	22%	0.22	S	C	*	.	S	Bend	trans	-82.7	169.4	178.5	-62.5	180	-173	0	0	111.8	Q481 N485	Q481-E483 PolarHBondContact O-N 2.8Å; E483-N485 PolarHBondContact O-N 2.84Å
484	I	73.4	Confident	94.8	Very high	137 Å²	137	41.8 Å²	41.8	70%	0.703	22%	0.223	S	C	*	.	S	Bend	trans	-63.1	-30.5	-177.8	-63.5	173.8	0	0	0	111.7
485	N	85.9	Confident	94.8	Very high	109 Å²	109	43.3 Å²	43.3	58%	0.583	23%	0.229	S	C	*	.	S	Bend	trans	-98.5	133.7	-175	-64.1	-41.7	0	0	0	111.5	E483	E483-N485 PolarHBondContact O-N 2.84Å
486	P	94.4	Very high	94.8	Very high	20 Å²	20	45.2 Å²	45.2	13%	0.13	24%	0.241	C	C	.	.			trans	-71.5	159.4	172.5	34.1	-39.5	0	0	0	111.4	C374 V478	C374-P486 HydrophobicContact CB-CB 3.89Å; C374-P486 HydrophobicContact CB-CG 3.87Å; V478-P486 HydrophobicContact CB-CB 4.23Å
487	L	97.8	Very high	94.8	Very high	46 Å²	46	46.8 Å²	46.8	24%	0.241	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	114	165.3	173.8	65.3	0	0	0	109.5	V251 V478 V479 Q481 L489	V251-L487 HydrophobicContact CG1-CD2 3.87Å; V478-L487 CarbonylContact C-O 3.41Å; V478-L487 VanDerWaalsContact CA-O 3.3Å; V478-L487 WeakPolarHBondContact CA-O 3.3Å; V479-L487 HydrophobicContact CB-CB 4.29Å; V479-L487 PolarHBondContact N-O 2.8Å; V479-L487 PolarHBondContact O-N 3.22Å; Q481-L487 HydrophobicContact CG-CB 4.13Å; L487-L489 HydrophobicContact CD2-CD2 3.82Å; L487-L489 HydrophobicContact CG-CD2 3.98Å
488	I	98.6	Very high	94.8	Very high	47 Å²	47	49.4 Å²	49.4	24%	0.241	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	108.2	176.1	-52.2	173.8	0	0	0	109.3	L371 D476 D477 V478 S490 S491	L371-I488 HydrophobicContact CD1-CD1 4.05Å; L371-I488 HydrophobicContact CD2-CD1 4.47Å; D476-I488 HydrophobicContact CB-CG2 4.03Å; D477-I488 CarbonylContact O-C 3.55Å; V478-I488 HydrophobicContact CG1-CB 4.46Å; V478-I488 HydrophobicContact CG1-CG1 4.04Å; V478-I488 HydrophobicContact CG1-CG2 4.46Å; I488-S490 VanDerWaalsContact C-N 3.34Å; I488-S491 WeakPolarHBondContact O-CB 3.09Å; I488-S491 PolarHBondContact O-OG 2.86Å
489	L	98.7	Very high	94.8	Very high	10 Å²	10	52.1 Å²	52.1	5%	0.052	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-30.2	-176.2	-56.9	177.8	0	0	0	112.3	M254 K255 D477 V479 L487	M254-L489 HydrophobicContact CB-CD1 3.68Å; M254-L489 HydrophobicContact CE-CD1 4.13Å; K255-L489 HydrophobicContact CB-CD2 4.02Å; K255-L489 HydrophobicContact CG-CD2 4.49Å; D477-L489 HydrophobicContact CB-CB 3.95Å; D477-L489 HydrophobicContact CB-CD1 4.18Å; D477-L489 HydrophobicContact CB-CG 4.44Å; D477-L489 PolarHBondContact O-N 3.36Å; V479-L489 HydrophobicContact CG2-CD1 3.76Å; V479-L489 HydrophobicContact CG2-CD2 3.97Å; V479-L489 HydrophobicContact CG2-CG 4.01Å; L487-L489 HydrophobicContact CD2-CD2 3.82Å; L487-L489 HydrophobicContact CG-CD2 3.98Å
490	S	98.6	Very high	94.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	13.4	-178.5	54.3	0	0	0	0	113.9	D476 D477 I488 D492 T493	D476-S490 WeakPolarHBondContact CA-OG 3.45Å; D476-S490 WeakPolarHBondContact CB-OG 3.43Å; D476-S490 WeakPolarHBondContact OD1-CB 3.33Å; D476-S490 PolarHBondContact OD1-OG 3.26Å; D477-S490 PolarHBondContact N-OG 3.15Å; I488-S490 VanDerWaalsContact C-N 3.34Å; S490-D492 PolarHBondContact O-N 2.9Å; S490-D492 VanDerWaalsContact O-N 3.07Å; S490-T493 WeakPolarHBondContact O-CB 3.37Å; S490-T493 PolarHBondContact O-N 3.32Å; S490-T493 PolarHBondContact O-OG1 3.28Å
491	S	97.8	Very high	94.8	Very high	77 Å²	77	53.6 Å²	53.6	54%	0.538	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25	-173.2	46.1	0	0	0	0	114.4	I488 T493	I488-S491 WeakPolarHBondContact O-CB 3.09Å; I488-S491 PolarHBondContact O-OG 2.86Å; S491-T493 PolarHBondContact O-N 2.8Å
492	D	98.2	Very high	94.9	Very high	87 Å²	87	56.2 Å²	56.2	47%	0.465	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-13.4	176.3	-77.6	-20.3	0	0	0	113.4	A262 K266 S490	A262-D492 HydrophobicContact CB-CB 3.83Å; K266-D492 WeakPolarHBondContact CE-O 3.44Å; K266-D492 PolarHBondContact NZ-O 3.13Å; S490-D492 PolarHBondContact O-N 2.9Å; S490-D492 VanDerWaalsContact O-N 3.07Å
493	T	98.6	Very high	95.4	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	27%	0.272	C	S	.	.	S	Bend	trans	-80.9	119.9	-178.6	-49.3	0	0	0	0	110.7	A262 F265 I342 R344 S490 S491 K495	A262-T493 VanDerWaalsContact CA-OG1 3.22Å; A262-T493 WeakPolarHBondContact CA-OG1 3.23Å; A262-T493 WeakPolarHBondContact CB-OG1 3.25Å; F265-T493 HydrophobicContact CB-CG2 3.69Å; F265-T493 HydrophobicContact CD1-CG2 4.48Å; F265-T493 HydrophobicContact CD2-CG2 4.04Å; F265-T493 HydrophobicContact CG-CG2 3.82Å; I342-T493 HydrophobicContact CG2-CG2 4.11Å; R344-T493 HydrophobicContact CG-CG2 3.66Å; R344-T493 PolarHBondContact NH2-O 3.22Å; R344-T493 VanDerWaalsContact NH2-O 3.12Å; S490-T493 WeakPolarHBondContact O-CB 3.37Å; S490-T493 PolarHBondContact O-N 3.32Å; S490-T493 PolarHBondContact O-OG1 3.28Å; S491-T493 PolarHBondContact O-N 2.8Å; T493-K495 PolarHBondContact O-N 2.61Å
494	P	98.6	Very high	96.3	Very high	13 Å²	13	44.9 Å²	44.9	8%	0.084	24%	0.243	C	C	.	.			trans	-52	129.8	-177.1	-27.3	35.4	0	0	0	113	K266 M269 R344 D499 V500 A503	K266-P494 HydrophobicContact CG-CG 3.83Å; M269-P494 HydrophobicContact SD-CB 4.19Å; M269-P494 HydrophobicContact SD-CG 4.22Å; R344-P494 WeakPolarHBondContact CD-O 3.37Å; R344-P494 PolarHBondContact NE-O 3.37Å; P494-D499 HydrophobicContact CB-CB 3.87Å; P494-V500 HydrophobicContact CB-CG2 4.18Å; P494-A503 HydrophobicContact CB-CB 4.24Å; P494-A503 HydrophobicContact CG-CB 3.78Å
495	K	98.7	Very high	97.3	Very high	31 Å²	31	42.2 Å²	42.2	14%	0.135	24%	0.241	C	C	.	.			trans	-144.8	-7.1	178.5	71.3	175.4	178.3	179.2	0	116.5	Y360 L364 L371 I474 D476 T493	Y360-K495 VanDerWaalsContact CE1-O 3.29Å; Y360-K495 WeakPolarHBondContact CE1-O 3.25Å; Y360-K495 WeakPolarHBondContact OH-CA 3.23Å; Y360-K495 PolarHBondContact OH-O 3.19Å; L364-K495 HydrophobicContact CD1-CB 4.31Å; L364-K495 HydrophobicContact CD1-CD 4Å; L364-K495 HydrophobicContact CD1-CG 4.04Å; L364-K495 WeakPolarHBondContact CD1-O 3.34Å; L364-K495 VanDerWaalsContact CD2-O 3.29Å; L364-K495 WeakPolarHBondContact CD2-O 3.47Å; L371-K495 VanDerWaalsContact CD1-NZ 3.35Å; I474-K495 HydrophobicContact CG2-CB 4.31Å; I474-K495 HydrophobicContact CG2-CD 4.38Å; D476-K495 IonicContact OD2-NZ 3.79Å; D476-K495 PolarHBondContact OD2-NZ 3.05Å; T493-K495 PolarHBondContact O-N 2.61Å
496	T	98.8	Very high	97.5	Very high	41 Å²	41	40.8 Å²	40.8	25%	0.252	23%	0.231	S	C	.	.	S	Bend	trans	-84.4	151.5	164.7	73.7	0	0	0	0	108.1	A498 D499 V500	T496-A498 PolarHBondContact O-N 3.2Å; T496-D499 WeakPolarHBondContact CB-OD2 3.34Å; T496-D499 WeakPolarHBondContact CG2-OD2 3.17Å; T496-D499 PolarHBondContact O-N 2.97Å; T496-D499 WeakPolarHBondContact OG1-CB 3.33Å; T496-D499 PolarHBondContact OG1-N 2.67Å; T496-D499 VanDerWaalsContact OG1-N 3.12Å; T496-D499 PolarHBondContact OG1-OD2 3.32Å; T496-V500 WeakPolarHBondContact O-CG2 3.41Å; T496-V500 PolarHBondContact O-N 2.89Å
497	I	98.7	Very high	96.5	Very high	33 Å²	33	45 Å²	45	17%	0.169	26%	0.262	C	S	.	.	H	α-helix	trans	-48.2	-48.3	174.4	-80.5	-175.4	0	0	0	110.7	F352 A357 Y360 E361 D499 V500 E501	F352-I497 HydrophobicContact CB-CD1 4.38Å; F352-I497 HydrophobicContact CD2-CB 4.38Å; F352-I497 HydrophobicContact CD2-CD1 4.31Å; F352-I497 HydrophobicContact CD2-CG1 3.9Å; F352-I497 HydrophobicContact CD2-CG2 4Å; F352-I497 HydrophobicContact CE2-CB 4.42Å; F352-I497 HydrophobicContact CE2-CG1 3.95Å; F352-I497 HydrophobicContact CE2-CG2 4.44Å; F352-I497 HydrophobicContact CG-CD1 4.19Å; F352-I497 HydrophobicContact CG-CG1 4.2Å; F352-I497 HydrophobicContact CZ-CG1 4.31Å; A357-I497 HydrophobicContact CB-CD1 3.45Å; A357-I497 VanDerWaalsContact CB-CD1 3.45Å; Y360-I497 HydrophobicContact CD1-CG1 4.01Å; Y360-I497 HydrophobicContact CE1-CG1 4.38Å; E361-I497 WeakPolarHBondContact OE1-CD1 3.36Å; E361-I497 VanDerWaalsContact OE1-CG1 3.28Å; E361-I497 WeakPolarHBondContact OE1-CG1 3.26Å; E361-I497 WeakPolarHBondContact OE2-CD1 3.45Å; E361-I497 VanDerWaalsContact OE2-CG1 3.25Å; E361-I497 WeakPolarHBondContact OE2-CG1 3.29Å; I497-D499 VanDerWaalsContact C-N 3.31Å; I497-D499 PolarHBondContact O-N 3.28Å; I497-V500 PolarHBondContact O-N 3.45Å; I497-E501 HydrophobicContact CG2-CG 4.12Å; I497-E501 WeakPolarHBondContact O-CB 3.21Å; I497-E501 WeakPolarHBondContact O-CG 3.48Å; I497-E501 PolarHBondContact O-N 3.16Å
498	A	98.6	Very high	95	Very high	56 Å²	56	46.9 Å²	46.9	46%	0.463	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-37.4	-178	0	0	0	0	0	112.9	T496 R502	T496-A498 PolarHBondContact O-N 3.2Å; A498-R502 WeakPolarHBondContact O-CB 3.28Å; A498-R502 PolarHBondContact O-N 3.16Å; A498-R502 PolarHBondContact O-NH2 3.16Å
499	D	98.5	Very high	92.7	Very high	58 Å²	58	51.5 Å²	51.5	31%	0.31	32%	0.324	S	S	.	.	H	α-helix	trans	-71.6	-42	176.2	-64.1	-42.5	0	0	0	111.9	P494 T496 I497 R502 A503	P494-D499 HydrophobicContact CB-CB 3.87Å; T496-D499 WeakPolarHBondContact CB-OD2 3.34Å; T496-D499 WeakPolarHBondContact CG2-OD2 3.17Å; T496-D499 PolarHBondContact O-N 2.97Å; T496-D499 WeakPolarHBondContact OG1-CB 3.33Å; T496-D499 PolarHBondContact OG1-N 2.67Å; T496-D499 VanDerWaalsContact OG1-N 3.12Å; T496-D499 PolarHBondContact OG1-OD2 3.32Å; I497-D499 VanDerWaalsContact C-N 3.31Å; I497-D499 PolarHBondContact O-N 3.28Å; D499-R502 PolarHBondContact O-N 2.79Å; D499-R502 IonicContact OD1-CZ 3.68Å; D499-R502 IonicContact OD1-NE 3.93Å; D499-R502 IonicContact OD1-NH2 2.65Å; D499-R502 PolarHBondContact OD1-NH2 3.28Å; D499-A503 WeakPolarHBondContact O-CB 3.48Å; D499-A503 PolarHBondContact O-N 3.14Å
500	V	98.6	Very high	92.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.1	-50.3	179.8	171.7	0	0	0	0	110.6	W346 F352 P494 T496 I497 R502 A503 C504	W346-V500 HydrophobicContact CB-CG1 3.41Å; W346-V500 VanDerWaalsContact CB-CG1 3.41Å; F352-V500 HydrophobicContact CE2-CB 4.04Å; F352-V500 HydrophobicContact CE2-CG1 3.7Å; F352-V500 HydrophobicContact CZ-CB 4.41Å; F352-V500 HydrophobicContact CZ-CG1 3.94Å; P494-V500 HydrophobicContact CB-CG2 4.18Å; T496-V500 WeakPolarHBondContact O-CG2 3.41Å; T496-V500 PolarHBondContact O-N 2.89Å; I497-V500 PolarHBondContact O-N 3.45Å; V500-R502 VanDerWaalsContact C-N 3.26Å; V500-R502 PolarHBondContact O-N 3.45Å; V500-A503 PolarHBondContact O-N 3.49Å; V500-A503 VanDerWaalsContact O-N 3.13Å; V500-C504 PolarHBondContact O-N 2.92Å; V500-C504 PolarHBondContact O-SG 3.29Å
501	E	98.3	Very high	92.1	Very high	39 Å²	39	56.4 Å²	56.4	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-61.9	-36.4	177.5	-66.6	-164.6	160.9	0	0	111.7	G350 K351 F352 I497 C504 A505	G350-E501 WeakPolarHBondContact O-CG 3.34Å; K351-E501 VanDerWaalsContact CD-CD 3.47Å; K351-E501 HydrophobicContact CD-CG 4.29Å; K351-E501 WeakPolarHBondContact CD-OE1 3.42Å; K351-E501 WeakPolarHBondContact CD-OE2 3.11Å; K351-E501 IonicContact NZ-OE2 2.68Å; K351-E501 PolarHBondContact NZ-OE2 2.94Å; F352-E501 HydrophobicContact CD2-CG 3.94Å; F352-E501 HydrophobicContact CE2-CG 4.32Å; F352-E501 PolarHBondContact N-OE1 3.25Å; F352-E501 VanDerWaalsContact N-OE1 3.13Å; I497-E501 HydrophobicContact CG2-CG 4.12Å; I497-E501 WeakPolarHBondContact O-CB 3.21Å; I497-E501 WeakPolarHBondContact O-CG 3.48Å; I497-E501 PolarHBondContact O-N 3.16Å; E501-C504 PolarHBondContact O-N 3.12Å; E501-A505 WeakPolarHBondContact O-CB 3.46Å; E501-A505 PolarHBondContact O-N 3.16Å
502	R	97.9	Very high	91.8	Very high	127 Å²	127	55.2 Å²	55.2	48%	0.479	35%	0.346	S	S	.	.	H	α-helix	trans	-65.9	-41.5	174.4	171	170.8	35.5	-102.6	-0.7	111.9	A498 D499 V500 A505 Q506	A498-R502 WeakPolarHBondContact O-CB 3.28Å; A498-R502 PolarHBondContact O-N 3.16Å; A498-R502 PolarHBondContact O-NH2 3.16Å; D499-R502 PolarHBondContact O-N 2.79Å; D499-R502 IonicContact OD1-CZ 3.68Å; D499-R502 IonicContact OD1-NE 3.93Å; D499-R502 IonicContact OD1-NH2 2.65Å; D499-R502 PolarHBondContact OD1-NH2 3.28Å; V500-R502 VanDerWaalsContact C-N 3.26Å; V500-R502 PolarHBondContact O-N 3.45Å; R502-A505 PolarHBondContact O-N 2.98Å; R502-Q506 WeakPolarHBondContact O-CG 3.48Å; R502-Q506 PolarHBondContact O-N 3.37Å
503	A	97.2	Very high	91.4	Very high	3 Å²	3	53.4 Å²	53.4	3%	0.025	34%	0.339	C	S	.	.	H	α-helix	trans	-66	-38.9	176.7	0	0	0	0	0	111.8	M269 G270 P494 D499 V500 A505 Q506	M269-A503 HydrophobicContact CB-CB 4.21Å; M269-A503 HydrophobicContact SD-CB 3.86Å; G270-A503 WeakPolarHBondContact CA-O 3.47Å; P494-A503 HydrophobicContact CB-CB 4.24Å; P494-A503 HydrophobicContact CG-CB 3.78Å; D499-A503 WeakPolarHBondContact O-CB 3.48Å; D499-A503 PolarHBondContact O-N 3.14Å; V500-A503 PolarHBondContact O-N 3.49Å; V500-A503 VanDerWaalsContact O-N 3.13Å; A503-A505 VanDerWaalsContact C-N 3.33Å; A503-A505 PolarHBondContact O-N 3.3Å; A503-Q506 PolarHBondContact O-N 3.27Å
504	C	97	Very high	90.9	Very high	7 Å²	7	56.6 Å²	56.6	5%	0.047	36%	0.359	C	S	.	.	H	α-helix	trans	-66.6	-33.6	175	-61.2	0	0	0	0	112.6	G350 V500 E501 Q506	G350-C504 VanDerWaalsContact CA-CB 3.47Å; V500-C504 PolarHBondContact O-N 2.92Å; V500-C504 PolarHBondContact O-SG 3.29Å; E501-C504 PolarHBondContact O-N 3.12Å; C504-Q506 VanDerWaalsContact C-N 3.3Å; C504-Q506 PolarHBondContact O-N 3.43Å
505	A	94.7	Very high	90.4	Very high	80 Å²	80	59.5 Å²	59.5	66%	0.661	38%	0.377	S	S	*	.	H	α-helix	trans	-77	-13.3	178.3	0	0	0	0	0	114	E501 R502 A503 S507	E501-A505 WeakPolarHBondContact O-CB 3.46Å; E501-A505 PolarHBondContact O-N 3.16Å; R502-A505 PolarHBondContact O-N 2.98Å; A503-A505 VanDerWaalsContact C-N 3.33Å; A503-A505 PolarHBondContact O-N 3.3Å; A505-S507 PolarHBondContact O-N 3.09Å
506	Q	88.4	Confident	89.9	Confident	79 Å²	79	61.5 Å²	61.5	37%	0.369	40%	0.395	S	S	.	.			trans	-80.9	118	-179.7	-79.6	172.2	-6.7	0	0	110.9	G270 R502 A503 C504 W508	G270-Q506 WeakPolarHBondContact CA-O 3.39Å; R502-Q506 WeakPolarHBondContact O-CG 3.48Å; R502-Q506 PolarHBondContact O-N 3.37Å; A503-Q506 PolarHBondContact O-N 3.27Å; C504-Q506 VanDerWaalsContact C-N 3.3Å; C504-Q506 PolarHBondContact O-N 3.43Å; Q506-W508 HydrophobicContact CB-CZ2 4.36Å; Q506-W508 VanDerWaalsContact O-CD1 3.26Å; Q506-W508 PolarHBondContact O-N 3.32Å
507	S	74.1	Confident	89.2	Confident	110 Å²	110	63.1 Å²	63.1	77%	0.769	41%	0.406	S	S	*	.			trans	-76	109.2	166.8	-55.1	0	0	0	0	109.3	A505 G509	A505-S507 PolarHBondContact O-N 3.09Å; S507-G509 PolarHBondContact O-N 2.8Å
508	W	65.8	Low	88.4	Confident	85 Å²	85	65.6 Å²	65.6	32%	0.322	43%	0.425	S	S	.	.			trans	-92.6	96.9	172.9	-60.6	103.7	0	0	0	108.2	K266 K267 Q506	K266-W508 HydrophobicContact CB-CZ2 4.06Å; K266-W508 PolarHBondContact O-NE1 2.85Å; K266-W508 VanDerWaalsContact O-NE1 3.12Å; K267-W508 HydrophobicContact CD-CB 3.49Å; K267-W508 VanDerWaalsContact CD-CB 3.49Å; K267-W508 HydrophobicContact CD-CD2 3.66Å; K267-W508 HydrophobicContact CD-CE3 4.02Å; K267-W508 HydrophobicContact CD-CG 3.47Å; K267-W508 VanDerWaalsContact CD-CG 3.47Å; Q506-W508 HydrophobicContact CB-CZ2 4.36Å; Q506-W508 VanDerWaalsContact O-CD1 3.26Å; Q506-W508 PolarHBondContact O-N 3.32Å
509	G	51.3	Low	87.4	Confident	143 Å²	143	66.5 Å²	66.5	100%	1.474	42%	0.422	S	S	*	.			trans	-66.5	0	178.3	0	0	0	0	0	114.4	S507	S507-G509 PolarHBondContact O-N 2.8Å

Retrieved 509 of 509 residues in 1627.7 ms (Link to these results)

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