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Tyramine beta-hydroxylase

Catalyzes the hydroxylation of tyramine into octopamine, a neurotransmitter involved in ovulation and locomotion^1,2,3,4. Functions in an amine-mediated Bacc-dependent signaling pathway that negatively regulates acute ethanol sensitivity⁵. Involved in facilitation of nociceptive escape behavior in response to potentially damaging stimuli, such as high temperatures⁶.

AlphaFold DB , UniProt , Accession Q86B61, Species DROME (Drosophila melanogaster, Fruit fly), Gene Tbh, Length 670 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	29.6	Very low	25.1	Very low	241 Å²	241	165 Å²	165	100%	1.187	87%	0.871	S	S	*	*				0	97.5	0	-79.3	179.5	177.8	0	0	109
2	L	28.7	Very low	25.1	Very low	176 Å²	176	164 Å²	164	92%	0.921	87%	0.867	S	S	*	*			trans	-149.7	102.8	158.6	-98.6	119.6	0	0	0	106.3
3	K	22.1	Very low	25.3	Very low	206 Å²	206	157.8 Å²	157.8	90%	0.896	87%	0.866	S	S	*	*			trans	-111	115.6	167.5	-86.4	-174.8	174.5	-178.1	0	106.1
4	I	26.1	Very low	25.3	Very low	150 Å²	150	157.6 Å²	157.6	77%	0.769	86%	0.861	S	S	*	*			trans	-140.2	126.8	155.3	-60.2	-177.5	0	0	0	106.9
5	P	31.7	Very low	25.6	Very low	118 Å²	118	163.7 Å²	163.7	77%	0.766	87%	0.867	S	S	*	*			trans	-94.9	151.7	-177.4	36.4	-30.4	0	0	0	111.7
6	L	22.2	Very low	26.3	Very low	165 Å²	165	159.6 Å²	159.6	86%	0.864	85%	0.852	S	S	*	*			trans	-139.2	116.3	165.8	-103.9	127.2	0	0	0	110.2
7	Q	19.3	Very low	27.2	Very low	179 Å²	179	155.5 Å²	155.5	84%	0.836	85%	0.846	S	S	*	*			trans	-65.1	147.9	157.3	-73.9	160.6	-74	0	0	109.8
8	L	21.5	Very low	27.6	Very low	162 Å²	162	159.9 Å²	159.9	85%	0.848	85%	0.848	S	S	*	*			trans	150.3	120.7	140.5	-82.1	159.3	0	0	0	110.3
9	S	26.6	Very low	28	Very low	127 Å²	127	160.9 Å²	160.9	89%	0.888	85%	0.845	S	S	*	*				-172.3	119	121	57.9	0	0	0	0	111.3
10	S	23.3	Very low	28.5	Very low	106 Å²	106	156.4 Å²	156.4	74%	0.741	83%	0.832	S	S	*	*			trans	-112.2	132.9	149.9	50.3	0	0	0	0	105.9
11	Q	25.2	Very low	29	Very low	185 Å²	185	159.4 Å²	159.4	86%	0.864	83%	0.831	S	S	*	*			trans	-173.5	111	154.9	-107.9	173.9	29.2	0	0	111.8
12	D	25.2	Very low	29.3	Very low	153 Å²	153	157.8 Å²	157.8	82%	0.818	81%	0.812	S	S	*	*				33.3	118.3	129.6	-56.2	-33.1	0	0	0	121.1
13	G	28.1	Very low	29.8	Very low	83 Å²	83	154.9 Å²	154.9	86%	0.856	80%	0.797	S	S	*	*			trans	-127.8	104.7	160.9	0	0	0	0	0	111.2
14	I	24.2	Very low	30.8	Very low	155 Å²	155	151.3 Å²	151.3	80%	0.795	78%	0.783	S	S	*	*			trans	-82.4	124.6	176.5	-66.3	161.8	0	0	0	110
15	W	30.5	Very low	31.7	Very low	250 Å²	250	150.3 Å²	150.3	95%	0.947	78%	0.775	S	S	*	*			trans	-145.7	157	163.2	-107.2	73	0	0	0	112.3
16	P	36.4	Very low	32.4	Very low	97 Å²	97	151.5 Å²	151.5	63%	0.63	77%	0.77	S	S	*	*				-110.3	157.1	-121.9	38.8	-36.4	0	0	0	118.3	R18	P16-R18 VanDerWaalsContact C-N 3.31Å; P16-R18 PolarHBondContact O-N 3.47Å
17	A	41.2	Very low	33.6	Very low	91 Å²	91	150.2 Å²	150.2	75%	0.752	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	32.8	-170.5	0	0	0	0	0	118.2
18	R	35.3	Very low	34.7	Very low	234 Å²	234	146.7 Å²	146.7	88%	0.883	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-10.6	176.7	-84.8	-172.6	177.1	-174.7	0.5	116.2	P16	P16-R18 VanDerWaalsContact C-N 3.31Å; P16-R18 PolarHBondContact O-N 3.47Å
19	F	34.2	Very low	36.2	Very low	179 Å²	179	144.3 Å²	144.3	79%	0.785	73%	0.73	S	S	*	*	S	Bend	trans	-88.6	-20.5	174.8	-101.3	-92.9	0	0	0	114.7	R21	F19-R21 VanDerWaalsContact C-N 3.31Å; F19-R21 PolarHBondContact O-N 3.48Å
20	A	39.4	Very low	37.4	Very low	71 Å²	71	141.2 Å²	141.2	59%	0.587	71%	0.713	S	S	*	*	H	α-helix	trans	-67.4	-25.3	-177.3	0	0	0	0	0	114.3
21	R	38	Very low	39	Very low	219 Å²	219	143 Å²	143	83%	0.826	70%	0.704	S	S	*	*	H	α-helix	trans	-78.8	-22.9	-177.5	-78.9	-171.8	-177.9	-167.7	0.6	114.9	F19	F19-R21 VanDerWaalsContact C-N 3.31Å; F19-R21 PolarHBondContact O-N 3.48Å
22	R	36.7	Very low	40.7	Very low	208 Å²	208	139.8 Å²	139.8	79%	0.785	69%	0.689	S	S	*	*	H	α-helix	trans	-81.3	-31.8	176.8	-82.5	-171	-171	-160.8	2.6	113.2
23	L	39.4	Very low	42.4	Very low	114 Å²	114	138.3 Å²	138.3	60%	0.597	68%	0.677	S	S	*	*	H	α-helix	trans	-71	-32.4	177.2	-82	154.1	0	0	0	112.5	H25 H27	L23-H25 PolarHBondContact O-N 3.49Å; L23-H27 PolarHBondContact O-N 3.09Å
24	H	43.1	Very low	44.1	Very low	132 Å²	132	139.4 Å²	139.4	61%	0.611	66%	0.66	S	S	*	*	H	α-helix	trans	-69	-32.8	178.7	-131.3	56.5	0	0	0	113.2	Q28	H24-Q28 PolarHBondContact O-N 2.94Å
25	H	44.2	Very low	46.2	Very low	128 Å²	128	137 Å²	137	59%	0.593	64%	0.643	S	S	*	*	H	α-helix	trans	-73.7	-35	179.9	-126	-45.5	0	0	0	112.9	L23 L29	L23-H25 PolarHBondContact O-N 3.49Å; H25-L29 PolarHBondContact O-N 3.48Å
26	H	45.6	Very low	48.1	Very low	144 Å²	144	130.5 Å²	130.5	67%	0.667	62%	0.623	S	S	*	*	H	α-helix	trans	-71.8	-35.4	174.9	-83.4	-65	0	0	0	112.6	L29 A30	H26-L29 PolarHBondContact O-N 2.9Å; H26-A30 PolarHBondContact O-N 3Å; H26-A30 VanDerWaalsContact O-N 3.15Å
27	H	47.5	Very low	49.7	Very low	137 Å²	137	130.3 Å²	130.3	63%	0.634	61%	0.614	S	S	*	*	H	α-helix	trans	-67.7	-37	176.3	-102.7	-65.6	0	0	0	113.3	L23 Y31	L23-H27 PolarHBondContact O-N 3.09Å; H27-Y31 WeakPolarHBondContact O-CB 3.49Å; H27-Y31 PolarHBondContact O-N 3.06Å
28	Q	43.6	Very low	51.1	Low	106 Å²	106	130.8 Å²	130.8	50%	0.495	60%	0.601	S	S	.	*	H	α-helix	trans	-68.8	-38.4	176.6	-76.7	-173.3	-25.5	0	0	112.5	H24 Y31 H32	H24-Q28 PolarHBondContact O-N 2.94Å; Q28-Y31 PolarHBondContact O-N 3.39Å; Q28-H32 WeakPolarHBondContact O-CB 3.4Å; Q28-H32 PolarHBondContact O-CD2 3.48Å; Q28-H32 PolarHBondContact O-N 3.42Å
29	L	53.5	Low	53	Low	111 Å²	111	125.5 Å²	125.5	58%	0.581	59%	0.586	S	S	*	*	H	α-helix	trans	-65.3	-43.5	176.7	-79.7	161.9	0	0	0	112	H25 H26 H32 H33	H25-L29 PolarHBondContact O-N 3.48Å; H26-L29 PolarHBondContact O-N 2.9Å; L29-H32 PolarHBondContact O-N 3.01Å; L29-H33 PolarHBondContact O-N 3.11Å
30	A	49.8	Very low	55	Low	63 Å²	63	122.9 Å²	122.9	52%	0.521	58%	0.576	S	S	.	*	H	α-helix	trans	-65.1	-40.3	177.1	0	0	0	0	0	112.4	H26 H33 H34	H26-A30 PolarHBondContact O-N 3Å; H26-A30 VanDerWaalsContact O-N 3.15Å; A30-H33 PolarHBondContact O-N 3.07Å; A30-H34 PolarHBondContact O-N 2.97Å; A30-H34 VanDerWaalsContact O-N 3.1Å
31	Y	58.3	Low	56.6	Low	143 Å²	143	125.5 Å²	125.5	56%	0.561	58%	0.576	S	S	*	*	H	α-helix	trans	-66.3	-39.3	177.1	-173.4	-97.8	0	0	0	112.4	H27 Q28 K35	H27-Y31 WeakPolarHBondContact O-CB 3.49Å; H27-Y31 PolarHBondContact O-N 3.06Å; Q28-Y31 PolarHBondContact O-N 3.39Å; Y31-K35 HydrophobicContact CE1-CD 3.86Å; Y31-K35 PolarHBondContact O-N 3.34Å; Y31-K35 VanDerWaalsContact O-N 3.11Å; Y31-K35 WeakPolarHBondContact OH-CE 3.44Å; Y31-K35 PolarHBondContact OH-NZ 3.2Å
32	H	59.6	Low	58.3	Low	118 Å²	118	120.9 Å²	120.9	55%	0.546	56%	0.564	S	S	.	*	H	α-helix	trans	-67.6	-38.6	175.7	-86.5	-68	0	0	0	112.8	Q28 L29 K35 Q36	Q28-H32 WeakPolarHBondContact O-CB 3.4Å; Q28-H32 PolarHBondContact O-CD2 3.48Å; Q28-H32 PolarHBondContact O-N 3.42Å; L29-H32 PolarHBondContact O-N 3.01Å; H32-K35 PolarHBondContact O-N 3.17Å; H32-Q36 PolarHBondContact O-N 2.86Å; H32-Q36 VanDerWaalsContact O-N 3.12Å
33	H	62.2	Low	60.2	Low	121 Å²	121	116.8 Å²	116.8	56%	0.56	55%	0.554	S	S	*	*	H	α-helix	trans	-63.6	-43.5	176.1	-125.7	-72	0	0	0	111.6	L29 A30 K35 Q36 E37	L29-H33 PolarHBondContact O-N 3.11Å; A30-H33 PolarHBondContact O-N 3.07Å; H33-K35 PolarHBondContact O-N 3.34Å; H33-Q36 PolarHBondContact O-N 3.26Å; H33-E37 PolarHBondContact O-N 3.11Å
34	H	63.1	Low	61.9	Low	107 Å²	107	117.1 Å²	117.1	50%	0.495	55%	0.553	S	S	.	*	H	α-helix	trans	-69	-35.8	-179.2	-156.7	46.4	0	0	0	112.7	A30 E37 Q38	A30-H34 PolarHBondContact O-N 2.97Å; A30-H34 VanDerWaalsContact O-N 3.1Å; H34-E37 IonicContact ND1-OE2 2.76Å; H34-E37 PolarHBondContact O-N 3.44Å; H34-Q38 PolarHBondContact NE2-NE2 3.46Å; H34-Q38 WeakPolarHBondContact O-CG 3.36Å; H34-Q38 PolarHBondContact O-N 2.83Å; H34-Q38 VanDerWaalsContact O-N 3.1Å
35	K	69.2	Low	63.4	Low	104 Å²	104	116.6 Å²	116.6	45%	0.452	55%	0.55	S	S	.	*	H	α-helix	trans	-65.1	-36.7	172.2	-104.7	-174.2	176.4	178.1	0	112.9	Y31 H32 H33 Q39	Y31-K35 HydrophobicContact CE1-CD 3.86Å; Y31-K35 PolarHBondContact O-N 3.34Å; Y31-K35 VanDerWaalsContact O-N 3.11Å; Y31-K35 WeakPolarHBondContact OH-CE 3.44Å; Y31-K35 PolarHBondContact OH-NZ 3.2Å; H32-K35 PolarHBondContact O-N 3.17Å; H33-K35 PolarHBondContact O-N 3.34Å; K35-Q39 WeakPolarHBondContact O-CG 3.29Å; K35-Q39 PolarHBondContact O-N 3.28Å; K35-Q39 VanDerWaalsContact O-N 3.09Å
36	Q	69.7	Low	64.8	Low	113 Å²	113	116.6 Å²	116.6	53%	0.528	55%	0.55	S	S	.	*	H	α-helix	trans	-68.7	-40	176.7	-79	-176.1	-9.9	0	0	112.1	H32 H33 Q39 Q40	H32-Q36 PolarHBondContact O-N 2.86Å; H32-Q36 VanDerWaalsContact O-N 3.12Å; H33-Q36 PolarHBondContact O-N 3.26Å; Q36-Q39 PolarHBondContact O-N 3.42Å; Q36-Q40 WeakPolarHBondContact O-CG 3.46Å; Q36-Q40 PolarHBondContact O-N 2.91Å
37	E	69.6	Low	66.1	Low	94 Å²	94	115.7 Å²	115.7	44%	0.439	55%	0.547	S	S	.	.	H	α-helix	trans	-63.3	-43.7	175	-76	178.3	166.9	0	0	112.1	H33 H34 Q39 Q40 Q41	H33-E37 PolarHBondContact O-N 3.11Å; H34-E37 IonicContact ND1-OE2 2.76Å; H34-E37 PolarHBondContact O-N 3.44Å; E37-Q39 PolarHBondContact O-N 2.86Å; E37-Q40 PolarHBondContact O-N 2.76Å; E37-Q41 WeakPolarHBondContact O-CG 3.46Å; E37-Q41 PolarHBondContact O-N 3.01Å
38	Q	70.5	Confident	67.2	Low	101 Å²	101	115.4 Å²	115.4	47%	0.472	55%	0.545	S	S	.	.	H	α-helix	trans	-63.8	-39.4	176.8	-72.2	-177.4	6.2	0	0	112.4	H34 Q41 Q42	H34-Q38 PolarHBondContact NE2-NE2 3.46Å; H34-Q38 WeakPolarHBondContact O-CG 3.36Å; H34-Q38 PolarHBondContact O-N 2.83Å; H34-Q38 VanDerWaalsContact O-N 3.1Å; Q38-Q41 PolarHBondContact O-N 3.38Å; Q38-Q42 PolarHBondContact O-N 3.06Å
39	Q	75.5	Confident	68.4	Low	123 Å²	123	115.8 Å²	115.8	58%	0.575	55%	0.547	S	S	*	.	H	α-helix	trans	-67.1	-38.4	175.6	-77.6	-178.8	-11.3	0	0	112.5	K35 Q36 E37 Q43	K35-Q39 WeakPolarHBondContact O-CG 3.29Å; K35-Q39 PolarHBondContact O-N 3.28Å; K35-Q39 VanDerWaalsContact O-N 3.09Å; Q36-Q39 PolarHBondContact O-N 3.42Å; E37-Q39 PolarHBondContact O-N 2.86Å; Q39-Q43 PolarHBondContact O-N 3.08Å
40	Q	75.5	Confident	69	Low	123 Å²	123	113 Å²	113	58%	0.575	54%	0.54	S	S	*	.	H	α-helix	trans	-66.3	-41	174.9	-78	-176.8	-1.4	0	0	112.1	Q36 E37 Q43 Q44	Q36-Q40 WeakPolarHBondContact O-CG 3.46Å; Q36-Q40 PolarHBondContact O-N 2.91Å; E37-Q40 PolarHBondContact O-N 2.76Å; Q40-Q43 PolarHBondContact O-N 3.12Å; Q40-Q44 WeakPolarHBondContact O-CG 3.49Å; Q40-Q44 PolarHBondContact O-N 3.29Å
41	Q	73.3	Confident	69.5	Low	126 Å²	126	116.9 Å²	116.9	59%	0.589	55%	0.545	S	S	*	.	H	α-helix	trans	-64.7	-41.9	176.2	-74.2	-178.9	4.3	0	0	112.2	E37 Q38 Q44 Q45	E37-Q41 WeakPolarHBondContact O-CG 3.46Å; E37-Q41 PolarHBondContact O-N 3.01Å; Q38-Q41 PolarHBondContact O-N 3.38Å; Q41-Q44 PolarHBondContact O-N 3.45Å; Q41-Q45 PolarHBondContact O-N 2.97Å
42	Q	74.4	Confident	69.4	Low	123 Å²	123	116.5 Å²	116.5	58%	0.575	55%	0.549	S	S	*	.	H	α-helix	trans	-64.5	-40.8	175	-82.6	-176.3	-10.4	0	0	112.4	Q38 Q45 Q46	Q38-Q42 PolarHBondContact O-N 3.06Å; Q42-Q45 PolarHBondContact O-N 3.25Å; Q42-Q46 WeakPolarHBondContact O-CG 3.37Å; Q42-Q46 PolarHBondContact O-N 3.32Å
43	Q	76.5	Confident	68.8	Low	122 Å²	122	117.9 Å²	117.9	57%	0.57	55%	0.553	S	S	*	*	H	α-helix	trans	-64.3	-39.6	175	-82.8	-175.5	-10.6	0	0	112.3	Q39 Q40 Q46 Q47	Q39-Q43 PolarHBondContact O-N 3.08Å; Q40-Q43 PolarHBondContact O-N 3.12Å; Q43-Q46 PolarHBondContact O-N 3.32Å; Q43-Q47 WeakPolarHBondContact O-CB 3.45Å; Q43-Q47 WeakPolarHBondContact O-CG 3.49Å; Q43-Q47 PolarHBondContact O-N 2.94Å
44	Q	76.2	Confident	67.9	Low	121 Å²	121	119.7 Å²	119.7	57%	0.565	56%	0.562	S	S	*	*	H	α-helix	trans	-64.5	-42	175.6	-77.7	-176.7	-0.5	0	0	112.1	Q40 Q41 Q47 Q48	Q40-Q44 WeakPolarHBondContact O-CG 3.49Å; Q40-Q44 PolarHBondContact O-N 3.29Å; Q41-Q44 PolarHBondContact O-N 3.45Å; Q44-Q47 PolarHBondContact O-N 3.42Å; Q44-Q48 WeakPolarHBondContact O-CG 3.45Å; Q44-Q48 PolarHBondContact O-N 2.84Å
45	Q	73.4	Confident	67.1	Low	120 Å²	120	123.6 Å²	123.6	56%	0.561	58%	0.577	S	S	*	*	H	α-helix	trans	-63.9	-43.5	175.3	-82.3	-176.5	-12	0	0	112.2	Q41 Q42 Q47 Q48 Q49	Q41-Q45 PolarHBondContact O-N 2.97Å; Q42-Q45 PolarHBondContact O-N 3.25Å; Q45-Q47 VanDerWaalsContact C-N 3.34Å; Q45-Q47 PolarHBondContact O-N 3.42Å; Q45-Q48 PolarHBondContact O-N 2.89Å; Q45-Q49 WeakPolarHBondContact O-CG 2.94Å; Q45-Q49 PolarHBondContact O-N 3.01Å
46	Q	74	Confident	65.9	Low	128 Å²	128	126 Å²	126	60%	0.598	59%	0.59	S	S	*	*	H	α-helix	trans	-64.4	-38.4	177.2	-74.1	-178.3	1.3	0	0	112.1	Q42 Q43 Q49 A50	Q42-Q46 WeakPolarHBondContact O-CG 3.37Å; Q42-Q46 PolarHBondContact O-N 3.32Å; Q43-Q46 PolarHBondContact O-N 3.32Å; Q46-Q49 PolarHBondContact O-N 2.82Å; Q46-A50 WeakPolarHBondContact O-CB 3.49Å; Q46-A50 PolarHBondContact O-N 2.82Å
47	Q	72.9	Confident	64.2	Low	125 Å²	125	127.7 Å²	127.7	58%	0.584	60%	0.603	S	S	*	*	H	α-helix	trans	-66.7	-36.9	174.4	-76.5	-175.7	2.2	0	0	112.7	Q43 Q44 Q45 A50 K51	Q43-Q47 WeakPolarHBondContact O-CB 3.45Å; Q43-Q47 WeakPolarHBondContact O-CG 3.49Å; Q43-Q47 PolarHBondContact O-N 2.94Å; Q44-Q47 PolarHBondContact O-N 3.42Å; Q45-Q47 VanDerWaalsContact C-N 3.34Å; Q45-Q47 PolarHBondContact O-N 3.42Å; Q47-A50 PolarHBondContact O-N 2.63Å; Q47-K51 WeakPolarHBondContact O-CB 3.25Å; Q47-K51 WeakPolarHBondContact O-CG 3.41Å; Q47-K51 PolarHBondContact O-N 3.4Å
48	Q	71.3	Confident	62.3	Low	131 Å²	131	126.2 Å²	126.2	61%	0.612	61%	0.613	S	S	*	*	H	α-helix	trans	-66.3	-43	174.3	-76	-179.3	-0.8	0	0	111.7	Q44 Q45 K51 Q52	Q44-Q48 WeakPolarHBondContact O-CG 3.45Å; Q44-Q48 PolarHBondContact O-N 2.84Å; Q45-Q48 PolarHBondContact O-N 2.89Å; Q48-K51 PolarHBondContact O-N 2.99Å; Q48-Q52 PolarHBondContact O-N 3.4Å
49	Q	68	Low	60.4	Low	115 Å²	115	128.4 Å²	128.4	54%	0.537	63%	0.633	S	S	.	*	H	α-helix	trans	-65.6	-38.2	175.7	-72.3	-179.4	2.4	0	0	112.2	Q45 Q46 Q52 K53	Q45-Q49 WeakPolarHBondContact O-CG 2.94Å; Q45-Q49 PolarHBondContact O-N 3.01Å; Q46-Q49 PolarHBondContact O-N 2.82Å; Q49-Q52 PolarHBondContact O-N 3.02Å; Q49-K53 PolarHBondContact O-N 3.48Å
50	A	65.1	Low	58.3	Low	52 Å²	52	131.5 Å²	131.5	43%	0.43	65%	0.647	S	S	.	*	H	α-helix	trans	-66	-40.7	175.1	0	0	0	0	0	111.9	Q46 Q47 Q52 K53 Q54	Q46-A50 WeakPolarHBondContact O-CB 3.49Å; Q46-A50 PolarHBondContact O-N 2.82Å; Q47-A50 PolarHBondContact O-N 2.63Å; A50-Q52 VanDerWaalsContact C-N 3.33Å; A50-Q52 PolarHBondContact O-N 2.76Å; A50-K53 PolarHBondContact O-N 3.3Å; A50-Q54 PolarHBondContact O-N 3.29Å
51	K	62	Low	56.1	Low	145 Å²	145	135.4 Å²	135.4	63%	0.63	67%	0.666	S	S	*	*	H	α-helix	trans	-64.8	-34.9	173.5	-78.3	-178.7	178.5	178.4	0	112.5	Q47 Q48 K55	Q47-K51 WeakPolarHBondContact O-CB 3.25Å; Q47-K51 WeakPolarHBondContact O-CG 3.41Å; Q47-K51 PolarHBondContact O-N 3.4Å; Q48-K51 PolarHBondContact O-N 2.99Å; K51-K55 PolarHBondContact O-N 2.77Å
52	Q	55.1	Low	54	Low	134 Å²	134	133.4 Å²	133.4	63%	0.626	68%	0.679	S	S	*	*	H	α-helix	trans	-69.4	-42	173.3	-87.3	-178.7	-27.4	0	0	112.2	Q48 Q49 A50 K55 Q56	Q48-Q52 PolarHBondContact O-N 3.4Å; Q49-Q52 PolarHBondContact O-N 3.02Å; A50-Q52 VanDerWaalsContact C-N 3.33Å; A50-Q52 PolarHBondContact O-N 2.76Å; Q52-K55 PolarHBondContact O-N 3.02Å; Q52-Q56 PolarHBondContact O-N 3.04Å
53	K	47.8	Very low	51.8	Low	147 Å²	147	139 Å²	139	64%	0.639	70%	0.695	S	S	*	*	H	α-helix	trans	-67.8	-35.7	176.6	-78.5	-176.1	174.9	-179.5	0	113	Q49 A50 K55 Q56 N57	Q49-K53 PolarHBondContact O-N 3.48Å; A50-K53 PolarHBondContact O-N 3.3Å; K53-K55 VanDerWaalsContact C-N 3.34Å; K53-Q56 PolarHBondContact O-N 2.83Å; K53-N57 PolarHBondContact O-N 2.82Å
54	Q	43.6	Very low	49.8	Very low	160 Å²	160	138.8 Å²	138.8	75%	0.748	71%	0.707	S	S	*	*	H	α-helix	trans	-69.1	-29.7	173.4	-87.6	-175.4	-28.1	0	0	113.1	A50 Q56	A50-Q54 PolarHBondContact O-N 3.29Å; Q54-Q56 PolarHBondContact O-N 3.49Å
55	K	46.4	Very low	48.2	Very low	189 Å²	189	137.7 Å²	137.7	82%	0.822	71%	0.71	S	S	*	*	H	α-helix	trans	-72.7	-14.3	172.9	-80.8	-174.4	175.4	-174	0	113.9	K51 Q52 K53	K51-K55 PolarHBondContact O-N 2.77Å; Q52-K55 PolarHBondContact O-N 3.02Å; K53-K55 VanDerWaalsContact C-N 3.34Å
56	Q	43.4	Very low	46.7	Very low	154 Å²	154	138.3 Å²	138.3	72%	0.72	72%	0.722	S	S	*	*	H	α-helix	trans	-96.2	-16.5	-179.5	-76.2	179.1	-17.8	0	0	114.1	Q52 K53 Q54	Q52-Q56 PolarHBondContact O-N 3.04Å; K53-Q56 PolarHBondContact O-N 2.83Å; Q54-Q56 PolarHBondContact O-N 3.49Å
57	N	32.8	Very low	45.1	Very low	148 Å²	148	141 Å²	141	79%	0.791	73%	0.732	S	S	*	*	S	Bend	trans	-111.8	77.9	-179.3	-76.3	-8.4	0	0	0	111.4	K53	K53-N57 PolarHBondContact O-N 2.82Å
58	G	30.2	Very low	44.3	Very low	63 Å²	63	142.9 Å²	142.9	65%	0.649	74%	0.743	S	S	*	*			trans	-158.2	116.6	171.2	0	0	0	0	0	111.6
59	V	31.8	Very low	43.3	Very low	147 Å²	147	141.4 Å²	141.4	89%	0.891	75%	0.745	S	S	*	*			trans	83.8	89.4	162.2	-164.3	0	0	0	0	116.9
60	Q	30.2	Very low	42.9	Very low	189 Å²	189	140.2 Å²	140.2	88%	0.883	75%	0.745	S	S	*	*			trans	-147.1	115.6	144.9	-83.2	-170.2	-13.6	0	0	109.8
61	Q	28.9	Very low	42.6	Very low	205 Å²	205	143.9 Å²	143.9	96%	0.958	76%	0.755	S	S	*	*			trans	-179.3	112.3	145.1	-101.2	172.7	19.7	0	0	109
62	G	29.8	Very low	42.7	Very low	84 Å²	84	142.7 Å²	142.7	87%	0.866	76%	0.755	S	S	*	*			trans	171.8	75.6	-179.6	0	0	0	0	0	115.7
63	R	28.7	Very low	43.1	Very low	241 Å²	241	142.1 Å²	142.1	91%	0.909	76%	0.756	S	S	*	*			trans	-9.5	137.2	162.9	-77.1	175.1	172.4	173.1	-2.6	122
64	S	34.3	Very low	43.8	Very low	117 Å²	117	139.9 Å²	139.9	82%	0.818	75%	0.75	S	S	*	*			trans	86	160	133.1	94.6	0	0	0	0	119.2
65	P	42.1	Very low	44.7	Very low	98 Å²	98	137.1 Å²	137.1	64%	0.636	74%	0.74	S	S	*	*				-129.1	148.9	-109.4	34.9	-15.6	0	0	0	114.8
66	T	42	Very low	45.4	Very low	133 Å²	133	133.5 Å²	133.5	82%	0.816	73%	0.727	S	S	*	*			trans	-155.3	100.3	149	43.7	0	0	0	0	109.2
67	F	39.7	Very low	46.1	Very low	183 Å²	183	128.5 Å²	128.5	80%	0.803	71%	0.712	S	S	*	*			trans	-77	117.8	174	-83.9	-99.7	0	0	0	110
68	M	56.2	Low	47.2	Very low	165 Å²	165	125.4 Å²	125.4	81%	0.813	70%	0.699	S	S	*	*	S	Bend		171.9	-29.5	126.6	-102.4	-169.4	149.8	0	0	115.5	V70	M68-V70 VanDerWaalsContact C-N 3.34Å; M68-V70 PolarHBondContact O-N 2.97Å
69	P	50.8	Low	48.2	Very low	101 Å²	101	128 Å²	128	66%	0.656	70%	0.697	S	S	*	*	H	α-helix	trans	-81.9	-15.2	-178.9	30.4	-30.8	0	0	0	113
70	V	59.5	Low	49.1	Very low	90 Å²	90	128.2 Å²	128.2	55%	0.545	69%	0.692	S	S	.	*	H	α-helix	trans	-77.9	-26.1	-176.9	-173.5	0	0	0	0	112.6	M68 L72 L73 L74	M68-V70 VanDerWaalsContact C-N 3.34Å; M68-V70 PolarHBondContact O-N 2.97Å; V70-L72 PolarHBondContact O-N 2.94Å; V70-L73 PolarHBondContact O-N 2.95Å; V70-L74 HydrophobicContact CG1-CD1 3.75Å; V70-L74 HydrophobicContact CG1-CG 4.27Å; V70-L74 WeakPolarHBondContact O-CB 3.45Å; V70-L74 WeakPolarHBondContact O-CD1 3.46Å; V70-L74 WeakPolarHBondContact O-CG 3.2Å; V70-L74 PolarHBondContact O-N 2.93Å
71	M	59.2	Low	49.6	Very low	129 Å²	129	124 Å²	124	64%	0.635	68%	0.68	S	S	*	*	H	α-helix	trans	-67.7	-36.4	-179.1	-115.7	-172.5	-159.8	0	0	112.8	L74 L75	M71-L74 PolarHBondContact O-N 2.8Å; M71-L75 PolarHBondContact O-N 2.85Å
72	L	64.1	Low	50.2	Low	120 Å²	120	123.6 Å²	123.6	63%	0.628	67%	0.67	S	S	*	*	H	α-helix	trans	-72.4	-36.5	-179.4	-153.6	80	0	0	0	111.8	V70 L75 M76	V70-L72 PolarHBondContact O-N 2.94Å; L72-L75 PolarHBondContact O-N 2.8Å; L72-M76 PolarHBondContact O-N 2.84Å; L72-M76 VanDerWaalsContact O-N 3.11Å
73	L	64.2	Low	51	Low	122 Å²	122	124.1 Å²	124.1	64%	0.639	66%	0.658	S	S	*	*	H	α-helix	trans	-68.4	-37	173.1	-88.7	150	0	0	0	112.1	V70 M76 A77	V70-L73 PolarHBondContact O-N 2.95Å; L73-M76 PolarHBondContact O-N 2.81Å; L73-A77 VanDerWaalsContact O-CB 3.29Å; L73-A77 WeakPolarHBondContact O-CB 3.32Å; L73-A77 PolarHBondContact O-N 2.97Å
74	L	62.3	Low	51.9	Low	100 Å²	100	120.5 Å²	120.5	52%	0.524	66%	0.655	S	S	.	*	H	α-helix	trans	-68.1	-36.7	174.5	-80.1	162.2	0	0	0	112.6	V70 M71 A77 T78	V70-L74 HydrophobicContact CG1-CD1 3.75Å; V70-L74 HydrophobicContact CG1-CG 4.27Å; V70-L74 WeakPolarHBondContact O-CB 3.45Å; V70-L74 WeakPolarHBondContact O-CD1 3.46Å; V70-L74 WeakPolarHBondContact O-CG 3.2Å; V70-L74 PolarHBondContact O-N 2.93Å; M71-L74 PolarHBondContact O-N 2.8Å; L74-A77 PolarHBondContact O-N 3.16Å; L74-T78 WeakPolarHBondContact O-CG2 3.39Å; L74-T78 PolarHBondContact O-N 2.91Å; L74-T78 PolarHBondContact O-OG1 2.78Å; L74-T78 VanDerWaalsContact O-OG1 3.09Å
75	L	61.5	Low	52.4	Low	102 Å²	102	119.7 Å²	119.7	53%	0.534	65%	0.649	S	S	.	*	H	α-helix	trans	-67.2	-40	174.2	-89.7	152.4	0	0	0	112.3	M71 L72 T78 L79	M71-L75 PolarHBondContact O-N 2.85Å; L72-L75 PolarHBondContact O-N 2.8Å; L75-T78 PolarHBondContact O-OG1 3.06Å; L75-T78 VanDerWaalsContact O-OG1 3.06Å; L75-L79 WeakPolarHBondContact O-CD1 3.49Å; L75-L79 PolarHBondContact O-N 2.77Å
76	M	62.4	Low	52.6	Low	113 Å²	113	119.3 Å²	119.3	56%	0.557	66%	0.655	S	S	*	*	H	α-helix	trans	-68	-37.7	172.4	-82.5	-162.5	-94.5	0	0	112.3	L72 L73 L79 L80	L72-M76 PolarHBondContact O-N 2.84Å; L72-M76 VanDerWaalsContact O-N 3.11Å; L73-M76 PolarHBondContact O-N 2.81Å; M76-L79 PolarHBondContact O-N 2.95Å; M76-L80 WeakPolarHBondContact O-CD1 3.39Å; M76-L80 PolarHBondContact O-N 2.8Å
77	A	57.7	Low	52.7	Low	48 Å²	48	121.7 Å²	121.7	40%	0.397	65%	0.654	S	S	.	*	H	α-helix	trans	-66.5	-36.7	177.1	0	0	0	0	0	112.6	L73 L74 L80 T81	L73-A77 VanDerWaalsContact O-CB 3.29Å; L73-A77 WeakPolarHBondContact O-CB 3.32Å; L73-A77 PolarHBondContact O-N 2.97Å; L74-A77 PolarHBondContact O-N 3.16Å; A77-L80 PolarHBondContact O-N 3.45Å; A77-T81 PolarHBondContact O-N 3.4Å; A77-T81 VanDerWaalsContact O-N 3.08Å; A77-T81 PolarHBondContact O-OG1 2.97Å
78	T	55.2	Low	53	Low	84 Å²	84	117 Å²	117	52%	0.515	64%	0.644	S	S	.	*	H	α-helix	trans	-73.6	-27.3	175.6	52.7	0	0	0	0	113.1	L74 L75	L74-T78 WeakPolarHBondContact O-CG2 3.39Å; L74-T78 PolarHBondContact O-N 2.91Å; L74-T78 PolarHBondContact O-OG1 2.78Å; L74-T78 VanDerWaalsContact O-OG1 3.09Å; L75-T78 PolarHBondContact O-OG1 3.06Å; L75-T78 VanDerWaalsContact O-OG1 3.06Å
79	L	52.1	Low	52.5	Low	118 Å²	118	116.5 Å²	116.5	62%	0.618	65%	0.645	S	S	*	*	H	α-helix	trans	-71.8	-29.7	170.2	-88.7	149.7	0	0	0	112.7	L75 M76	L75-L79 WeakPolarHBondContact O-CD1 3.49Å; L75-L79 PolarHBondContact O-N 2.77Å; M76-L79 PolarHBondContact O-N 2.95Å
80	L	49.7	Very low	52.3	Low	150 Å²	150	121.7 Å²	121.7	79%	0.785	65%	0.651	S	S	*	*	H	α-helix	trans	-84	-15.8	175.9	-81.9	150.8	0	0	0	113.8	M76 A77	M76-L80 WeakPolarHBondContact O-CD1 3.39Å; M76-L80 PolarHBondContact O-N 2.8Å; A77-L80 PolarHBondContact O-N 3.45Å
81	T	42.2	Very low	52.3	Low	102 Å²	102	122.7 Å²	122.7	63%	0.626	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	48.9	171.9	65.3	0	0	0	0	111.6	A77 P83	A77-T81 PolarHBondContact O-N 3.4Å; A77-T81 VanDerWaalsContact O-N 3.08Å; A77-T81 PolarHBondContact O-OG1 2.97Å; T81-P83 WeakPolarHBondContact O-CD 3.24Å
82	R	41.2	Very low	53.1	Low	196 Å²	196	119.4 Å²	119.4	74%	0.74	64%	0.642	S	S	*	*			trans	-76.2	119.3	153.4	-77.2	-171	174.3	-172.7	-0.6	107.2	L84	R82-L84 PolarHBondContact O-N 3.1Å; R82-L84 VanDerWaalsContact O-N 3.12Å
83	P	46.2	Very low	53.9	Low	95 Å²	95	119.2 Å²	119.2	62%	0.617	64%	0.642	S	S	*	*			trans	-61	121.6	175	-13.1	26.7	0	0	0	108	T81 S85	T81-P83 WeakPolarHBondContact O-CD 3.24Å; P83-S85 WeakPolarHBondContact CB-OG 3.46Å; P83-S85 PolarHBondContact O-N 3.29Å
84	L	47.5	Very low	55	Low	165 Å²	165	114.5 Å²	114.5	86%	0.864	62%	0.618	S	S	*	*	S	Bend	trans	-61.9	3	162	-93.6	139.9	0	0	0	112.4	R82 A86	R82-L84 PolarHBondContact O-N 3.1Å; R82-L84 VanDerWaalsContact O-N 3.12Å; L84-A86 PolarHBondContact O-N 3.45Å
85	S	44.9	Very low	56.3	Low	99 Å²	99	114.2 Å²	114.2	69%	0.692	61%	0.613	S	S	*	*			trans	-82.2	52.6	168.7	58.9	0	0	0	0	111.5	P83 F87	P83-S85 WeakPolarHBondContact CB-OG 3.46Å; P83-S85 PolarHBondContact O-N 3.29Å; S85-F87 VanDerWaalsContact C-N 3.33Å
86	A	45	Very low	57.8	Low	90 Å²	90	111.4 Å²	111.4	74%	0.744	60%	0.598	S	S	*	*			trans	-105.9	41.8	150	0	0	0	0	0	108.8	L84 S88	L84-A86 PolarHBondContact O-N 3.45Å; A86-S88 PolarHBondContact O-N 2.95Å
87	F	45.9	Very low	59.3	Low	183 Å²	183	106.2 Å²	106.2	80%	0.803	57%	0.573	S	S	*	*			trans	-67.2	72.5	141.6	-71.8	-84.6	0	0	0	106.1	S85 N89	S85-F87 VanDerWaalsContact C-N 3.33Å; F87-N89 PolarHBondContact O-N 3.47Å
88	S	44.9	Very low	61	Low	85 Å²	85	108.1 Å²	108.1	59%	0.594	57%	0.573	S	S	*	*			trans	-42.6	126.1	144.9	169.9	0	0	0	0	104.5	A86 R90	A86-S88 PolarHBondContact O-N 2.95Å; S88-R90 PolarHBondContact O-N 2.92Å
89	N	45.2	Very low	62.8	Low	155 Å²	155	106.5 Å²	106.5	83%	0.829	56%	0.561	S	S	*	*			trans	-58.3	77.8	163.4	-76.7	-24	0	0	0	106.2	F87 L91	F87-N89 PolarHBondContact O-N 3.47Å; N89-L91 PolarHBondContact O-N 3.29Å
90	R	46.8	Very low	64.9	Low	210 Å²	210	105.9 Å²	105.9	79%	0.792	55%	0.551	S	S	*	*			trans	-60.4	113.6	163.7	-82	-167.8	-177.1	-172	1.3	102.7	S88 S92	S88-R90 PolarHBondContact O-N 2.92Å; R90-S92 PolarHBondContact O-N 2.03Å
91	L	61	Low	67	Low	111 Å²	111	98.9 Å²	98.9	58%	0.581	52%	0.515	S	S	*	.			trans	-45.6	132.3	165.2	-73	120.3	0	0	0	106.8	N89 D93 M111	N89-L91 PolarHBondContact O-N 3.29Å; L91-D93 PolarHBondContact O-N 3.25Å; L91-M111 HydrophobicContact CB-SD 4.43Å; L91-M111 HydrophobicContact CD2-CE 3.3Å; L91-M111 HydrophobicContact CD2-SD 3.27Å; L91-M111 WeakPolarHBondContact CD2-SD 3.37Å; L91-M111 HydrophobicContact CG-SD 4.45Å
92	S	74.8	Confident	69.3	Low	59 Å²	59	94.6 Å²	94.6	41%	0.413	49%	0.488	S	S	.	.			trans	-59.1	115.9	-178.9	-170.7	0	0	0	0	107.6	R90 T94 K95	R90-S92 PolarHBondContact O-N 2.03Å; S92-T94 PolarHBondContact O-N 3.41Å; S92-T94 PolarHBondContact OG-OG1 3.23Å; S92-K95 PolarHBondContact O-N 3.49Å
93	D	80.9	Confident	71.5	Confident	117 Å²	117	90.7 Å²	90.7	63%	0.626	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-19.7	179.2	-66.1	-29.9	0	0	0	111.8	L91	L91-D93 PolarHBondContact O-N 3.25Å
94	T	86.8	Confident	73.5	Confident	22 Å²	22	93.6 Å²	93.6	14%	0.135	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-29.9	174.2	63.6	0	0	0	0	114.2	S92 K254 L256	S92-T94 PolarHBondContact O-N 3.41Å; S92-T94 PolarHBondContact OG-OG1 3.23Å; T94-K254 WeakPolarHBondContact CB-O 3.41Å; T94-K254 WeakPolarHBondContact O-CB 3.43Å; T94-K254 PolarHBondContact O-N 3.2Å; T94-L256 HydrophobicContact CG2-CD1 3.61Å; T94-L256 HydrophobicContact CG2-CD2 3.8Å; T94-L256 HydrophobicContact CG2-CG 3.51Å
95	K	90.2	Very high	75.6	Confident	94 Å²	94	89.7 Å²	89.7	41%	0.409	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-16.5	-177.5	-67.6	-171.5	173.1	-163.4	0	112.9	S92 H97 M111 D253	S92-K95 PolarHBondContact O-N 3.49Å; K95-H97 PolarHBondContact O-CD2 3.33Å; K95-H97 VanDerWaalsContact O-CD2 3.3Å; K95-M111 WeakPolarHBondContact O-CG 3.26Å; K95-D253 WeakPolarHBondContact CE-OD2 3.05Å; K95-D253 WeakPolarHBondContact CG-OD2 3.32Å
96	L	92.6	Very high	78	Confident	44 Å²	44	85 Å²	85	23%	0.23	43%	0.429	C	S	.	.			trans	-85.5	117	-178.3	-170.6	66.5	0	0	0	109.9	E98 M111 K254	L96-E98 HydrophobicContact CD2-CG 4.48Å; L96-E98 WeakPolarHBondContact CD2-OE1 3.25Å; L96-E98 HydrophobicContact CG-CG 4.18Å; L96-M111 HydrophobicContact CD1-CG 3.86Å; L96-M111 HydrophobicContact CD1-SD 4.34Å; L96-K254 WeakPolarHBondContact O-CE 3.09Å; L96-K254 PolarHBondContact O-NZ 3.28Å
97	H	94.2	Very high	80.4	Confident	3 Å²	3	82.2 Å²	82.2	1%	0.014	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	149	172.4	-54.7	-73.2	0	0	0	109.4	K95 S109 W110 R251 A252	K95-H97 PolarHBondContact O-CD2 3.33Å; K95-H97 VanDerWaalsContact O-CD2 3.3Å; H97-S109 CarbonylContact O-C 3.56Å; H97-S109 WeakPolarHBondContact O-CA 3.36Å; H97-W110 HydrophobicContact CB-CD2 3.69Å; H97-W110 VanDerWaalsContact CB-CE2 3.49Å; H97-W110 HydrophobicContact CB-CE3 3.88Å; H97-W110 HydrophobicContact CB-CG 4.38Å; H97-W110 HydrophobicContact CB-CH2 3.76Å; H97-W110 HydrophobicContact CB-CZ2 3.56Å; H97-W110 HydrophobicContact CB-CZ3 3.91Å; H97-W110 PolarHBondContact N-O 2.9Å; H97-W110 PolarHBondContact O-N 3.37Å; H97-R251 VanDerWaalsContact ND1-CD 3.32Å; H97-R251 WeakPolarHBondContact ND1-CD 3.35Å; H97-R251 PolarHBondContact ND1-NE 2.9Å; H97-R251 WeakPolarHBondContact NE2-CG 3.05Å; H97-A252 PolarHBondContact CE1-O 2.75Å
98	E	93.7	Very high	82.9	Confident	89 Å²	89	73.5 Å²	73.5	42%	0.416	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	143.2	-170.1	-53.7	-175.2	145.2	0	0	110.7	L96 K107 L108	L96-E98 HydrophobicContact CD2-CG 4.48Å; L96-E98 WeakPolarHBondContact CD2-OE1 3.25Å; L96-E98 HydrophobicContact CG-CG 4.18Å; E98-K107 VanDerWaalsContact OE1-CE 3.25Å; E98-K107 WeakPolarHBondContact OE1-CE 3.38Å; E98-K107 IonicContact OE1-NZ 2.89Å; E98-K107 PolarHBondContact OE1-NZ 3.49Å; E98-K107 WeakPolarHBondContact OE2-CE 3.43Å; E98-K107 IonicContact OE2-NZ 2.71Å; E98-K107 PolarHBondContact OE2-NZ 3.32Å; E98-L108 CarbonylContact C-O 3.56Å; E98-L108 WeakPolarHBondContact CA-O 3.45Å
99	I	93.7	Very high	85.3	Confident	49 Å²	49	69.5 Å²	69.5	25%	0.251	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	153.9	172.8	-166.4	167.9	0	0	0	109.7	L101 L108 W110 K245	I99-L101 HydrophobicContact CG2-CD2 4.39Å; I99-L108 HydrophobicContact CG2-CB 3.98Å; I99-L108 HydrophobicContact CG2-CD2 4.27Å; I99-L108 HydrophobicContact CG2-CG 4.4Å; I99-L108 PolarHBondContact N-O 2.76Å; I99-L108 PolarHBondContact O-N 2.86Å; I99-L108 VanDerWaalsContact O-O 3.14Å; I99-W110 HydrophobicContact CB-CZ3 4.28Å; I99-W110 HydrophobicContact CG2-CZ3 3.89Å; I99-K245 HydrophobicContact CD1-CD 4.42Å
100	Y	94.9	Very high	87.8	Confident	106 Å²	106	62.4 Å²	62.4	42%	0.416	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.5	167.8	-71.6	-89	0	0	0	110	K104 I106 K107 K245	Y100-K104 WeakPolarHBondContact CD1-O 3.11Å; Y100-K104 VanDerWaalsContact CE1-O 3.24Å; Y100-K104 WeakPolarHBondContact CE1-O 3.46Å; Y100-I106 CarbonylContact C-O 3.55Å; Y100-I106 WeakPolarHBondContact CA-O 3.26Å; Y100-K107 HydrophobicContact CD1-CB 4.09Å; Y100-K107 HydrophobicContact CE1-CB 3.85Å; Y100-K107 HydrophobicContact CE1-CD 4.42Å; Y100-K107 HydrophobicContact CE1-CG 4.32Å; Y100-K245 WeakPolarHBondContact O-CE 3.48Å
101	L	94.5	Very high	90.1	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.016	27%	0.265	C	S	.	.	S	Bend	trans	-75.4	-33.4	-177.2	-70.2	-172.8	0	0	0	112.7	I99 I106 L108 L123 F134 L136 W217 K245	I99-L101 HydrophobicContact CG2-CD2 4.39Å; L101-I106 HydrophobicContact CB-CB 4.26Å; L101-I106 HydrophobicContact CB-CG2 4.19Å; L101-I106 HydrophobicContact CD1-CG2 4.03Å; L101-I106 HydrophobicContact CG-CG2 4.41Å; L101-I106 PolarHBondContact N-O 2.91Å; L101-L108 HydrophobicContact CD1-CB 4.15Å; L101-L108 HydrophobicContact CD2-CB 3.99Å; L101-L108 HydrophobicContact CD2-CD2 3.96Å; L101-L108 HydrophobicContact CG-CB 3.86Å; L101-L123 HydrophobicContact CD1-CD2 3.67Å; L101-F134 HydrophobicContact CD1-CZ 4.15Å; L101-L136 HydrophobicContact CD1-CD1 3.97Å; L101-W217 HydrophobicContact CB-CD2 4.04Å; L101-W217 HydrophobicContact CB-CG 4.19Å; L101-W217 HydrophobicContact CB-CZ2 4.07Å; L101-W217 HydrophobicContact CD1-CB 4.12Å; L101-W217 HydrophobicContact CD1-CD2 4.22Å; L101-W217 HydrophobicContact CD1-CG 3.85Å; L101-W217 HydrophobicContact CG-CG 4.48Å; L101-W217 WeakPolarHBondContact O-CZ2 3.24Å; L101-W217 PolarHBondContact O-NE1 3.08Å; L101-W217 VanDerWaalsContact O-NE1 3.15Å; L101-K245 HydrophobicContact CD2-CB 4.38Å; L101-K245 HydrophobicContact CD2-CG 3.95Å; L101-K245 WeakPolarHBondContact O-CE 3.21Å
102	D	91.2	Very high	91.8	Very high	11 Å²	11	48.9 Å²	48.9	6%	0.059	24%	0.239	C	C	.	.	S	Bend	trans	-105.6	9.2	177	71.4	-36	0	0	0	112.6	K104 E105 I106 W217	D102-K104 PolarHBondContact O-N 3.36Å; D102-K104 PolarHBondContact OD1-N 3.48Å; D102-K104 VanDerWaalsContact OD1-N 3.08Å; D102-E105 VanDerWaalsContact CG-N 3.27Å; D102-E105 PolarHBondContact OD1-N 2.8Å; D102-E105 VanDerWaalsContact OD2-CB 3.25Å; D102-E105 WeakPolarHBondContact OD2-CB 3.46Å; D102-E105 PolarHBondContact OD2-N 3.07Å; D102-I106 HydrophobicContact CB-CD1 4.49Å; D102-I106 PolarHBondContact OD1-N 3.18Å; D102-W217 HydrophobicContact CB-CH2 3.78Å; D102-W217 HydrophobicContact CB-CZ2 3.77Å
103	D	86.4	Confident	92.7	Very high	115 Å²	115	48.1 Å²	48.1	62%	0.615	23%	0.23	S	C	*	.	S	Bend	trans	66.1	6.6	-174.2	-57.8	-59.6	0	0	0	115.7	K245	D103-K245 IonicContact OD1-NZ 3.3Å; D103-K245 PolarHBondContact OD1-NZ 2.96Å; D103-K245 IonicContact OD2-NZ 2.68Å; D103-K245 PolarHBondContact OD2-NZ 3.34Å
104	K	88	Confident	93.3	Very high	155 Å²	155	45.2 Å²	45.2	67%	0.674	21%	0.211	S	C	*	.	S	Bend	trans	-144.8	-56.7	-174.3	-65.9	-177.1	-176.7	171.3	0	115.7	Y100 D102	Y100-K104 WeakPolarHBondContact CD1-O 3.11Å; Y100-K104 VanDerWaalsContact CE1-O 3.24Å; Y100-K104 WeakPolarHBondContact CE1-O 3.46Å; D102-K104 PolarHBondContact O-N 3.36Å; D102-K104 PolarHBondContact OD1-N 3.48Å; D102-K104 VanDerWaalsContact OD1-N 3.08Å
105	E	91.7	Very high	93.6	Very high	83 Å²	83	54.5 Å²	54.5	39%	0.388	25%	0.245	S	C	.	.	S	Bend	trans	-110.6	-45.7	-164.6	-170.8	-173.4	170.8	0	0	112.7	D102 K107 N125 R219	D102-E105 VanDerWaalsContact CG-N 3.27Å; D102-E105 PolarHBondContact OD1-N 2.8Å; D102-E105 VanDerWaalsContact OD2-CB 3.25Å; D102-E105 WeakPolarHBondContact OD2-CB 3.46Å; D102-E105 PolarHBondContact OD2-N 3.07Å; E105-K107 PolarHBondContact O-N 2.82Å; E105-N125 HydrophobicContact CG-CB 3.96Å; E105-N125 PolarHBondContact O-ND2 3.38Å; E105-R219 IonicContact OE2-NH2 2.81Å
106	I	95.3	Very high	93.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	25%	0.25	C	C	.	.			trans	-88.9	99.5	-169.9	-53.9	176.4	0	0	0	108.5	Y100 L101 D102 L123 Q124 F134 W217	Y100-I106 CarbonylContact C-O 3.55Å; Y100-I106 WeakPolarHBondContact CA-O 3.26Å; L101-I106 HydrophobicContact CB-CB 4.26Å; L101-I106 HydrophobicContact CB-CG2 4.19Å; L101-I106 HydrophobicContact CD1-CG2 4.03Å; L101-I106 HydrophobicContact CG-CG2 4.41Å; L101-I106 PolarHBondContact N-O 2.91Å; D102-I106 HydrophobicContact CB-CD1 4.49Å; D102-I106 PolarHBondContact OD1-N 3.18Å; I106-L123 HydrophobicContact CG2-CD2 4.19Å; I106-Q124 WeakPolarHBondContact CA-O 3.34Å; I106-F134 HydrophobicContact CG2-CE2 4.26Å; I106-W217 HydrophobicContact CD1-CE3 4.04Å; I106-W217 HydrophobicContact CD1-CH2 3.55Å; I106-W217 HydrophobicContact CD1-CZ3 3.27Å
107	K	96.8	Very high	93.9	Very high	32 Å²	32	57.8 Å²	57.8	14%	0.139	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.2	-178.4	-172.9	174.2	168.6	-168.5	0	110.3	E98 Y100 E105 L123 Q124	E98-K107 VanDerWaalsContact OE1-CE 3.25Å; E98-K107 WeakPolarHBondContact OE1-CE 3.38Å; E98-K107 IonicContact OE1-NZ 2.89Å; E98-K107 PolarHBondContact OE1-NZ 3.49Å; E98-K107 WeakPolarHBondContact OE2-CE 3.43Å; E98-K107 IonicContact OE2-NZ 2.71Å; E98-K107 PolarHBondContact OE2-NZ 3.32Å; Y100-K107 HydrophobicContact CD1-CB 4.09Å; Y100-K107 HydrophobicContact CE1-CB 3.85Å; Y100-K107 HydrophobicContact CE1-CD 4.42Å; Y100-K107 HydrophobicContact CE1-CG 4.32Å; E105-K107 PolarHBondContact O-N 2.82Å; K107-L123 CarbonylContact O-C 3.51Å; K107-L123 WeakPolarHBondContact O-CA 3.47Å; K107-Q124 HydrophobicContact CB-CB 4.27Å; K107-Q124 PolarHBondContact N-O 2.76Å; K107-Q124 PolarHBondContact O-N 2.61Å
108	L	97.4	Very high	94	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	121.2	166.8	174.4	63.5	0	0	0	109	E98 I99 L101 W110 F121 L123 V215	E98-L108 CarbonylContact C-O 3.56Å; E98-L108 WeakPolarHBondContact CA-O 3.45Å; I99-L108 HydrophobicContact CG2-CB 3.98Å; I99-L108 HydrophobicContact CG2-CD2 4.27Å; I99-L108 HydrophobicContact CG2-CG 4.4Å; I99-L108 PolarHBondContact N-O 2.76Å; I99-L108 PolarHBondContact O-N 2.86Å; I99-L108 VanDerWaalsContact O-O 3.14Å; L101-L108 HydrophobicContact CD1-CB 4.15Å; L101-L108 HydrophobicContact CD2-CB 3.99Å; L101-L108 HydrophobicContact CD2-CD2 3.96Å; L101-L108 HydrophobicContact CG-CB 3.86Å; L108-W110 HydrophobicContact CG-CE3 4.32Å; L108-F121 HydrophobicContact CD1-CD1 4.14Å; L108-L123 HydrophobicContact CB-CD2 3.94Å; L108-L123 HydrophobicContact CD1-CD2 3.82Å; L108-L123 HydrophobicContact CD1-CG 3.9Å; L108-L123 HydrophobicContact CG-CD2 4.47Å; L108-V215 HydrophobicContact CD2-CG1 4.43Å
109	S	96.2	Very high	94.1	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.014	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	141.6	169.9	-45.5	0	0	0	0	109.5	H97 F121 H122	H97-S109 CarbonylContact O-C 3.56Å; H97-S109 WeakPolarHBondContact O-CA 3.36Å; S109-F121 CarbonylContact O-C 3.53Å; S109-H122 PolarHBondContact N-O 2.81Å; S109-H122 PolarHBondContact O-N 2.94Å
110	W	96.5	Very high	94.3	Very high	5 Å²	5	54.1 Å²	54.1	2%	0.019	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	159	177.4	75	102.8	0	0	0	112.7	H97 I99 L108 V119 L120 F121 L247 Q248 L249 R251	H97-W110 HydrophobicContact CB-CD2 3.69Å; H97-W110 VanDerWaalsContact CB-CE2 3.49Å; H97-W110 HydrophobicContact CB-CE3 3.88Å; H97-W110 HydrophobicContact CB-CG 4.38Å; H97-W110 HydrophobicContact CB-CH2 3.76Å; H97-W110 HydrophobicContact CB-CZ2 3.56Å; H97-W110 HydrophobicContact CB-CZ3 3.91Å; H97-W110 PolarHBondContact N-O 2.9Å; H97-W110 PolarHBondContact O-N 3.37Å; I99-W110 HydrophobicContact CB-CZ3 4.28Å; I99-W110 HydrophobicContact CG2-CZ3 3.89Å; L108-W110 HydrophobicContact CG-CE3 4.32Å; W110-V119 HydrophobicContact CB-CG1 4.15Å; W110-V119 HydrophobicContact CG-CG1 4.49Å; W110-L120 CarbonylContact C-O 3.58Å; W110-L120 WeakPolarHBondContact CA-O 3.48Å; W110-L120 WeakPolarHBondContact CB-O 3.43Å; W110-F121 HydrophobicContact CB-CD1 3.94Å; W110-F121 HydrophobicContact CB-CE1 4.34Å; W110-L247 HydrophobicContact CH2-CD1 3.86Å; W110-L247 HydrophobicContact CZ2-CD1 3.75Å; W110-L247 HydrophobicContact CZ3-CD1 4.38Å; W110-Q248 WeakPolarHBondContact CZ2-O 3.5Å; W110-L249 HydrophobicContact CD2-CD2 4.47Å; W110-L249 HydrophobicContact CG-CD2 4.35Å; W110-L249 PolarHBondContact NE1-O 3Å; W110-R251 HydrophobicContact CZ2-CG 4.5Å
111	M	95.4	Very high	94.4	Very high	31 Å²	31	49.2 Å²	49.2	15%	0.153	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.2	176.6	-57.5	-178.6	-56	0	0	110.4	L91 K95 L96 V119 L120	L91-M111 HydrophobicContact CB-SD 4.43Å; L91-M111 HydrophobicContact CD2-CE 3.3Å; L91-M111 HydrophobicContact CD2-SD 3.27Å; L91-M111 WeakPolarHBondContact CD2-SD 3.37Å; L91-M111 HydrophobicContact CG-SD 4.45Å; K95-M111 WeakPolarHBondContact O-CG 3.26Å; L96-M111 HydrophobicContact CD1-CG 3.86Å; L96-M111 HydrophobicContact CD1-SD 4.34Å; M111-V119 WeakPolarHBondContact O-CA 3.49Å; M111-L120 HydrophobicContact CE-CB 4.03Å; M111-L120 HydrophobicContact CE-CD2 3.92Å; M111-L120 HydrophobicContact CE-CG 4.48Å; M111-L120 PolarHBondContact N-O 3.3Å; M111-L120 PolarHBondContact O-N 2.81Å
112	V	96.2	Very high	94.5	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.2	-178.4	-172.5	0	0	0	0	109.7	W114 F198 L249 L250	V112-W114 HydrophobicContact CG1-CD2 3.92Å; V112-W114 HydrophobicContact CG1-CG 4.05Å; V112-W114 HydrophobicContact CG1-CZ2 4.07Å; V112-W114 PolarHBondContact O-N 3.4Å; V112-F198 HydrophobicContact CG1-CE1 3.8Å; V112-F198 HydrophobicContact CG1-CE2 4.47Å; V112-F198 HydrophobicContact CG1-CZ 3.39Å; V112-L249 VanDerWaalsContact CG2-O 3.25Å; V112-L249 WeakPolarHBondContact CG2-O 3.34Å; V112-L250 HydrophobicContact CG1-CD2 4.07Å
113	D	94.4	Very high	94.8	Very high	43 Å²	43	51.3 Å²	51.3	23%	0.23	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	89.7	167.9	-171.3	-26	0	0	0	108.9	Y115 K116 Q117 E118 L120	D113-Y115 PolarHBondContact O-N 2.85Å; D113-Y115 PolarHBondContact OD1-N 2.64Å; D113-Y115 VanDerWaalsContact OD1-N 3.1Å; D113-K116 HydrophobicContact CB-CB 4.4Å; D113-K116 PolarHBondContact O-N 3.23Å; D113-K116 PolarHBondContact OD1-N 3.37Å; D113-K116 VanDerWaalsContact OD2-CD 3.29Å; D113-K116 WeakPolarHBondContact OD2-CD 3.2Å; D113-K116 WeakPolarHBondContact OD2-CE 3.32Å; D113-K116 IonicContact OD2-NZ 3.27Å; D113-K116 PolarHBondContact OD2-NZ 2.59Å; D113-Q117 VanDerWaalsContact O-CA 3.31Å; D113-Q117 WeakPolarHBondContact O-CA 3.42Å; D113-Q117 PolarHBondContact O-N 3.39Å; D113-E118 HydrophobicContact CB-CG 3.8Å; D113-E118 PolarHBondContact N-O 3.12Å; D113-E118 PolarHBondContact O-N 3.47Å; D113-L120 HydrophobicContact CB-CD1 4.39Å
114	W	92.6	Very high	95.3	Very high	56 Å²	56	49.3 Å²	49.3	21%	0.212	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.6	179.4	-70.9	97	0	0	0	114.1	V112 F198 E210 L250 H500	V112-W114 HydrophobicContact CG1-CD2 3.92Å; V112-W114 HydrophobicContact CG1-CG 4.05Å; V112-W114 HydrophobicContact CG1-CZ2 4.07Å; V112-W114 PolarHBondContact O-N 3.4Å; W114-F198 HydrophobicContact CD2-CZ 4.5Å; W114-F198 AromaticContact CE3-CE2 3.87Å; W114-F198 HydrophobicContact CE3-CE2 3.87Å; W114-F198 HydrophobicContact CE3-CZ 4.29Å; W114-F198 HydrophobicContact CZ3-CE2 4.11Å; W114-E210 HydrophobicContact CH2-CG 4Å; W114-L250 HydrophobicContact CH2-CB 3.99Å; W114-L250 HydrophobicContact CZ2-CB 4.32Å; W114-H500 AromaticContact CD1-CE1 3.55Å; W114-H500 AromaticContact CD1-ND1 3.82Å; W114-H500 AromaticContact CD2-CD2 3.7Å; W114-H500 AromaticContact CD2-CE1 3.68Å; W114-H500 AromaticContact CD2-CG 3.98Å; W114-H500 AromaticContact CD2-ND1 3.97Å; W114-H500 AromaticContact CD2-NE2 3.53Å; W114-H500 AromaticContact CE2-CD2 3.76Å; W114-H500 AromaticContact CE2-CE1 3.78Å; W114-H500 AromaticContact CE2-CG 3.56Å; W114-H500 AromaticContact CE2-ND1 3.57Å; W114-H500 AromaticContact CE2-NE2 3.93Å; W114-H500 AromaticContact CE3-CD2 3.78Å; W114-H500 AromaticContact CE3-NE2 3.84Å; W114-H500 AromaticContact CG-CE1 3.54Å; W114-H500 AromaticContact CG-NE2 3.71Å; W114-H500 HydrophobicContact CH2-CB 4.15Å; W114-H500 AromaticContact CH2-CD2 3.98Å; W114-H500 HydrophobicContact CZ2-CB 3.76Å; W114-H500 AromaticContact CZ2-CD2 3.92Å; W114-H500 AromaticContact CZ2-CG 3.61Å; W114-H500 AromaticContact CZ3-CD2 3.92Å; W114-H500 AromaticContact NE1-CE1 3.68Å; W114-H500 AromaticContact NE1-CG 3.94Å; W114-H500 AromaticContact NE1-ND1 3.47Å; W114-H500 PolarHBondContact NE1-ND1 3.01Å
115	Y	93	Very high	95.6	Very high	218 Å²	218	44.6 Å²	44.6	86%	0.855	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-44	-179.1	176.7	-98.4	0	0	0	111	D113	D113-Y115 PolarHBondContact O-N 2.85Å; D113-Y115 PolarHBondContact OD1-N 2.64Å; D113-Y115 VanDerWaalsContact OD1-N 3.1Å
116	K	94.1	Very high	95.7	Very high	118 Å²	118	40.7 Å²	40.7	51%	0.513	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-10.6	176.3	-66.9	-178.9	-167.1	151.8	0	114.1	D113 E118	D113-K116 HydrophobicContact CB-CB 4.4Å; D113-K116 PolarHBondContact O-N 3.23Å; D113-K116 PolarHBondContact OD1-N 3.37Å; D113-K116 VanDerWaalsContact OD2-CD 3.29Å; D113-K116 WeakPolarHBondContact OD2-CD 3.2Å; D113-K116 WeakPolarHBondContact OD2-CE 3.32Å; D113-K116 IonicContact OD2-NZ 3.27Å; D113-K116 PolarHBondContact OD2-NZ 2.59Å; K116-E118 VanDerWaalsContact C-N 3.35Å; K116-E118 HydrophobicContact CB-CG 3.87Å; K116-E118 HydrophobicContact CD-CG 4.22Å; K116-E118 WeakPolarHBondContact CD-OE1 3.31Å; K116-E118 IonicContact NZ-OE1 2.76Å; K116-E118 PolarHBondContact NZ-OE1 2.89Å
117	Q	94.8	Very high	95.5	Very high	88 Å²	88	41 Å²	41	41%	0.411	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	46.6	-173.8	-54.2	-173.4	-48.4	0	0	111.9	D113 K197 F198	D113-Q117 VanDerWaalsContact O-CA 3.31Å; D113-Q117 WeakPolarHBondContact O-CA 3.42Å; D113-Q117 PolarHBondContact O-N 3.39Å; Q117-K197 CarbonylContact O-C 3.51Å; Q117-K197 WeakPolarHBondContact O-CA 3.45Å; Q117-F198 VanDerWaalsContact C-CE1 3.45Å; Q117-F198 HydrophobicContact CB-CB 4.37Å; Q117-F198 HydrophobicContact CB-CD1 4.49Å; Q117-F198 HydrophobicContact CB-CD2 3.69Å; Q117-F198 HydrophobicContact CB-CE2 4Å; Q117-F198 HydrophobicContact CB-CG 3.94Å; Q117-F198 HydrophobicContact CB-CZ 4.49Å; Q117-F198 HydrophobicContact CG-CD2 4.15Å; Q117-F198 HydrophobicContact CG-CE2 4.25Å; Q117-F198 VanDerWaalsContact O-CD1 3.29Å; Q117-F198 WeakPolarHBondContact O-CD1 3.32Å; Q117-F198 WeakPolarHBondContact O-CG 3.12Å; Q117-F198 PolarHBondContact O-N 2.84Å
118	E	96.1	Very high	95	Very high	23 Å²	23	41.6 Å²	41.6	11%	0.107	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.3	176.3	65.6	-175.7	-170.8	0	0	111.3	D113 K116 L120 R195 R196 F198	D113-E118 HydrophobicContact CB-CG 3.8Å; D113-E118 PolarHBondContact N-O 3.12Å; D113-E118 PolarHBondContact O-N 3.47Å; K116-E118 VanDerWaalsContact C-N 3.35Å; K116-E118 HydrophobicContact CB-CG 3.87Å; K116-E118 HydrophobicContact CD-CG 4.22Å; K116-E118 WeakPolarHBondContact CD-OE1 3.31Å; K116-E118 IonicContact NZ-OE1 2.76Å; K116-E118 PolarHBondContact NZ-OE1 2.89Å; E118-L120 HydrophobicContact CG-CD1 4.02Å; E118-R195 WeakPolarHBondContact OE2-CD 3.37Å; E118-R195 IonicContact OE2-NH1 3.56Å; E118-R196 CarbonylContact C-O 3.59Å; E118-R196 VanDerWaalsContact CA-O 3.29Å; E118-R196 WeakPolarHBondContact CA-O 3.24Å; E118-F198 WeakPolarHBondContact O-CE1 3.28Å
119	V	97.5	Very high	94.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.7	169.7	-175.4	0	0	0	0	108.2	W110 M111 F121 R195 R196 F198 L208 L250	W110-V119 HydrophobicContact CB-CG1 4.15Å; W110-V119 HydrophobicContact CG-CG1 4.49Å; M111-V119 WeakPolarHBondContact O-CA 3.49Å; V119-F121 HydrophobicContact CB-CD2 4.44Å; V119-F121 HydrophobicContact CB-CE2 3.73Å; V119-F121 HydrophobicContact CB-CZ 3.87Å; V119-F121 HydrophobicContact CG1-CD1 4.21Å; V119-F121 HydrophobicContact CG1-CD2 4.11Å; V119-F121 HydrophobicContact CG1-CE1 3.77Å; V119-F121 HydrophobicContact CG1-CE2 3.62Å; V119-F121 HydrophobicContact CG1-CG 4.4Å; V119-F121 HydrophobicContact CG1-CZ 3.44Å; V119-F121 VanDerWaalsContact CG1-CZ 3.44Å; V119-R195 CarbonylContact O-C 3.59Å; V119-R195 WeakPolarHBondContact O-CA 3.32Å; V119-R195 WeakPolarHBondContact O-CB 3.43Å; V119-R196 PolarHBondContact N-O 3.04Å; V119-R196 PolarHBondContact O-N 2.81Å; V119-F198 HydrophobicContact CG2-CD1 3.89Å; V119-F198 HydrophobicContact CG2-CE1 3.67Å; V119-L208 HydrophobicContact CB-CD1 4.14Å; V119-L208 HydrophobicContact CG2-CD1 3.63Å; V119-L250 HydrophobicContact CG2-CD2 3.51Å
120	L	97	Very high	93.8	Very high	42 Å²	42	55.9 Å²	55.9	22%	0.22	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.4	173.2	-69.2	78.4	0	0	0	107.7	W110 M111 D113 E118 R195	W110-L120 CarbonylContact C-O 3.58Å; W110-L120 WeakPolarHBondContact CA-O 3.48Å; W110-L120 WeakPolarHBondContact CB-O 3.43Å; M111-L120 HydrophobicContact CE-CB 4.03Å; M111-L120 HydrophobicContact CE-CD2 3.92Å; M111-L120 HydrophobicContact CE-CG 4.48Å; M111-L120 PolarHBondContact N-O 3.3Å; M111-L120 PolarHBondContact O-N 2.81Å; D113-L120 HydrophobicContact CB-CD1 4.39Å; E118-L120 HydrophobicContact CG-CD1 4.02Å; L120-R195 HydrophobicContact CG-CB 4.26Å
121	F	97.7	Very high	93.6	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.3	178.7	-61.2	-85.2	0	0	0	110.1	L108 S109 W110 V119 L136 F138 A193 F194 R196 L208 L249	L108-F121 HydrophobicContact CD1-CD1 4.14Å; S109-F121 CarbonylContact O-C 3.53Å; W110-F121 HydrophobicContact CB-CD1 3.94Å; W110-F121 HydrophobicContact CB-CE1 4.34Å; V119-F121 HydrophobicContact CB-CD2 4.44Å; V119-F121 HydrophobicContact CB-CE2 3.73Å; V119-F121 HydrophobicContact CB-CZ 3.87Å; V119-F121 HydrophobicContact CG1-CD1 4.21Å; V119-F121 HydrophobicContact CG1-CD2 4.11Å; V119-F121 HydrophobicContact CG1-CE1 3.77Å; V119-F121 HydrophobicContact CG1-CE2 3.62Å; V119-F121 HydrophobicContact CG1-CG 4.4Å; V119-F121 HydrophobicContact CG1-CZ 3.44Å; V119-F121 VanDerWaalsContact CG1-CZ 3.44Å; F121-L136 HydrophobicContact CD1-CD2 4.35Å; F121-F138 HydrophobicContact CE1-CE1 4.2Å; F121-F138 HydrophobicContact CE1-CZ 4.25Å; F121-F138 HydrophobicContact CE2-CZ 4.1Å; F121-F138 AromaticContact CZ-CE1 3.89Å; F121-F138 HydrophobicContact CZ-CE1 3.89Å; F121-F138 AromaticContact CZ-CZ 3.67Å; F121-F138 HydrophobicContact CZ-CZ 3.67Å; F121-A193 VanDerWaalsContact O-CA 3.25Å; F121-A193 WeakPolarHBondContact O-CA 3.43Å; F121-F194 HydrophobicContact CB-CD1 3.78Å; F121-F194 HydrophobicContact CB-CE1 3.4Å; F121-F194 HydrophobicContact CB-CE2 4.31Å; F121-F194 HydrophobicContact CB-CG 4.38Å; F121-F194 HydrophobicContact CB-CZ 3.69Å; F121-F194 HydrophobicContact CD1-CZ 4.44Å; F121-F194 HydrophobicContact CD2-CD2 4.06Å; F121-F194 HydrophobicContact CD2-CE1 4.12Å; F121-F194 AromaticContact CD2-CE2 3.47Å; F121-F194 HydrophobicContact CD2-CE2 3.47Å; F121-F194 VanDerWaalsContact CD2-CE2 3.47Å; F121-F194 AromaticContact CD2-CZ 3.5Å; F121-F194 HydrophobicContact CD2-CZ 3.5Å; F121-F194 VanDerWaalsContact CD2-CZ 3.5Å; F121-F194 HydrophobicContact CE2-CE2 4.03Å; F121-F194 HydrophobicContact CE2-CZ 4.2Å; F121-F194 AromaticContact CG-CE1 3.9Å; F121-F194 HydrophobicContact CG-CE1 3.9Å; F121-F194 HydrophobicContact CG-CE2 4.1Å; F121-F194 AromaticContact CG-CZ 3.63Å; F121-F194 HydrophobicContact CG-CZ 3.63Å; F121-F194 PolarHBondContact N-O 2.79Å; F121-F194 PolarHBondContact O-N 2.96Å; F121-F194 VanDerWaalsContact O-N 3.09Å; F121-R196 HydrophobicContact CE2-CB 4.23Å; F121-L208 HydrophobicContact CZ-CD1 4.45Å; F121-L249 HydrophobicContact CE1-CD1 4.49Å; F121-L249 HydrophobicContact CE1-CD2 3.61Å; F121-L249 HydrophobicContact CZ-CD1 4.38Å; F121-L249 HydrophobicContact CZ-CD2 4.17Å
122	H	96.7	Very high	93.4	Very high	59 Å²	59	58.3 Å²	58.3	27%	0.273	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	112.6	176.2	176.3	-131.8	0	0	0	109.3	S109 T191 L192	S109-H122 PolarHBondContact N-O 2.81Å; S109-H122 PolarHBondContact O-N 2.94Å; H122-T191 PolarHBondContact CD2-OG1 2.79Å; H122-T191 VanDerWaalsContact CD2-OG1 3.27Å; H122-T191 PolarHBondContact NE2-OG1 2.86Å; H122-L192 CarbonylContact C-O 3.59Å; H122-L192 WeakPolarHBondContact CA-O 3.48Å
123	L	97.2	Very high	93.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137	175.8	-74.6	152.8	0	0	0	109.7	L101 I106 K107 L108 A126 F134 L136 T191 L192 F194	L101-L123 HydrophobicContact CD1-CD2 3.67Å; I106-L123 HydrophobicContact CG2-CD2 4.19Å; K107-L123 CarbonylContact O-C 3.51Å; K107-L123 WeakPolarHBondContact O-CA 3.47Å; L108-L123 HydrophobicContact CB-CD2 3.94Å; L108-L123 HydrophobicContact CD1-CD2 3.82Å; L108-L123 HydrophobicContact CD1-CG 3.9Å; L108-L123 HydrophobicContact CG-CD2 4.47Å; L123-A126 HydrophobicContact CB-CB 4.13Å; L123-F134 HydrophobicContact CD1-CD1 4.21Å; L123-F134 HydrophobicContact CD1-CE1 3.51Å; L123-F134 HydrophobicContact CD1-CZ 4.06Å; L123-F134 HydrophobicContact CD2-CE1 4.35Å; L123-F134 HydrophobicContact CD2-CZ 4.04Å; L123-L136 HydrophobicContact CD1-CD1 4.45Å; L123-T191 WeakPolarHBondContact O-CA 3.22Å; L123-L192 HydrophobicContact CB-CB 4.13Å; L123-L192 HydrophobicContact CB-CG 4.47Å; L123-L192 HydrophobicContact CD1-CD2 3.64Å; L123-L192 HydrophobicContact CD1-CG 4.14Å; L123-L192 PolarHBondContact N-O 3.27Å; L123-L192 PolarHBondContact O-N 2.76Å; L123-F194 HydrophobicContact CD1-CE1 4.45Å
124	Q	96.1	Very high	93.4	Very high	73 Å²	73	56.1 Å²	56.1	34%	0.341	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.1	169.7	-53.6	-172.8	-89.2	0	0	109.2	I106 K107 A126 F190	I106-Q124 WeakPolarHBondContact CA-O 3.34Å; K107-Q124 HydrophobicContact CB-CB 4.27Å; K107-Q124 PolarHBondContact N-O 2.76Å; K107-Q124 PolarHBondContact O-N 2.61Å; Q124-A126 PolarHBondContact O-N 3.33Å; Q124-F190 WeakPolarHBondContact CA-O 3.49Å
125	N	94.7	Very high	93.6	Very high	55 Å²	55	54 Å²	54	29%	0.294	24%	0.243	S	C	.	.	S	Bend	trans	59.8	29.4	-179.3	-46.7	-38.7	0	0	0	113.8	E105 F127 F190 R219	E105-N125 HydrophobicContact CG-CB 3.96Å; E105-N125 PolarHBondContact O-ND2 3.38Å; N125-F127 PolarHBondContact O-N 3.49Å; N125-F190 PolarHBondContact N-O 2.78Å; N125-R219 PolarHBondContact O-NH1 2.74Å
126	A	93.3	Very high	93.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	20%	0.202	C	C	.	.	S	Bend	trans	-61.5	-35.4	172.3	0	0	0	0	0	111.3	L123 Q124 F134 L192 R219	L123-A126 HydrophobicContact CB-CB 4.13Å; Q124-A126 PolarHBondContact O-N 3.33Å; A126-F134 HydrophobicContact CB-CB 4.33Å; A126-F134 HydrophobicContact CB-CD1 4.25Å; A126-F134 HydrophobicContact CB-CD2 3.74Å; A126-F134 HydrophobicContact CB-CE2 4.13Å; A126-F134 HydrophobicContact CB-CG 3.85Å; A126-F134 WeakPolarHBondContact O-CD2 3.22Å; A126-L192 HydrophobicContact CB-CB 4.44Å; A126-L192 HydrophobicContact CB-CD2 4.46Å; A126-R219 WeakPolarHBondContact O-CD 3.42Å
127	F	91.8	Very high	93.9	Very high	6 Å²	6	38 Å²	38	3%	0.026	18%	0.178	C	C	.	.			trans	-112.2	156.3	176.4	-61.8	-88.3	0	0	0	110.5	N125 H131 F134 F152 N154 F159 M187	N125-F127 PolarHBondContact O-N 3.49Å; F127-H131 HydrophobicContact CD1-CB 4.3Å; F127-F134 HydrophobicContact CE1-CB 4.1Å; F127-F134 HydrophobicContact CE2-CB 4.22Å; F127-F134 HydrophobicContact CZ-CB 3.86Å; F127-F152 HydrophobicContact CE2-CB 4.35Å; F127-F152 HydrophobicContact CZ-CB 3.85Å; F127-F152 WeakPolarHBondContact CZ-O 3.41Å; F127-N154 HydrophobicContact CD1-CB 3.95Å; F127-N154 HydrophobicContact CE1-CB 3.94Å; F127-F159 HydrophobicContact CB-CE1 3.99Å; F127-F159 HydrophobicContact CD1-CE1 4.11Å; F127-F159 HydrophobicContact CD2-CD1 4.23Å; F127-F159 AromaticContact CD2-CE1 3.96Å; F127-F159 HydrophobicContact CD2-CE1 3.96Å; F127-F159 HydrophobicContact CE2-CD1 4.38Å; F127-F159 HydrophobicContact CE2-CE1 4.49Å; F127-F159 HydrophobicContact CG-CD1 4.42Å; F127-F159 AromaticContact CG-CE1 3.76Å; F127-F159 HydrophobicContact CG-CE1 3.76Å; F127-M187 HydrophobicContact CE2-CG 4.32Å; F127-M187 HydrophobicContact CE2-SD 4.23Å; F127-M187 HydrophobicContact CZ-SD 4.43Å
128	N	86.4	Confident	94	Very high	45 Å²	45	33.8 Å²	33.8	24%	0.241	16%	0.158	C	C	.	.			trans	-130.7	-176.6	158.2	72.5	9.3	0	0	0	107.3	Q130 H131	N128-Q130 PolarHBondContact O-N 2.82Å; N128-Q130 WeakPolarHBondContact OD1-CA 3.31Å; N128-Q130 WeakPolarHBondContact OD1-CB 3.04Å; N128-Q130 PolarHBondContact OD1-N 3.37Å; N128-H131 PolarHBondContact N-ND1 2.87Å; N128-H131 PolarHBondContact ND2-CE1 3.25Å; N128-H131 PolarHBondContact ND2-ND1 2.83Å; N128-H131 PolarHBondContact O-N 3.42Å; N128-H131 PolarHBondContact OD1-CE1 2.88Å; N128-H131 VanDerWaalsContact OD1-CE1 3.23Å; N128-H131 PolarHBondContact OD1-N 2.82Å; N128-H131 PolarHBondContact OD1-ND1 3.35Å
129	E	81.9	Confident	93.9	Very high	174 Å²	174	32.8 Å²	32.8	81%	0.813	15%	0.153	S	C	*	.	S	Bend	trans	-57.4	-20.8	179.4	-64	-176	176.8	0	0	114.8	E189	E129-E189 WeakPolarHBondContact CG-OE1 3.46Å
130	Q	87	Confident	93.5	Very high	128 Å²	128	34 Å²	34	60%	0.598	16%	0.159	S	C	*	.	S	Bend	trans	-97.1	-29.3	-176.3	-61.5	173.9	-15.3	0	0	112.8	N128 R132 E221	N128-Q130 PolarHBondContact O-N 2.82Å; N128-Q130 WeakPolarHBondContact OD1-CA 3.31Å; N128-Q130 WeakPolarHBondContact OD1-CB 3.04Å; N128-Q130 PolarHBondContact OD1-N 3.37Å; Q130-R132 PolarHBondContact O-N 3.31Å; Q130-E221 HydrophobicContact CB-CG 4.31Å
131	H	91.8	Very high	93.2	Very high	4 Å²	4	36 Å²	36	2%	0.019	16%	0.163	C	C	.	.			trans	-75	125.4	-176.7	-59.5	124.6	0	0	0	112.3	F127 N128 N154 R219 G220 E241	F127-H131 HydrophobicContact CD1-CB 4.3Å; N128-H131 PolarHBondContact N-ND1 2.87Å; N128-H131 PolarHBondContact ND2-CE1 3.25Å; N128-H131 PolarHBondContact ND2-ND1 2.83Å; N128-H131 PolarHBondContact O-N 3.42Å; N128-H131 PolarHBondContact OD1-CE1 2.88Å; N128-H131 VanDerWaalsContact OD1-CE1 3.23Å; N128-H131 PolarHBondContact OD1-N 2.82Å; N128-H131 PolarHBondContact OD1-ND1 3.35Å; H131-N154 PolarHBondContact O-ND2 2.9Å; H131-R219 VanDerWaalsContact CE1-CD 3.46Å; H131-R219 WeakPolarHBondContact CE1-CD 3.24Å; H131-R219 PolarHBondContact CE1-NE 3.07Å; H131-R219 WeakPolarHBondContact ND1-CD 3.45Å; H131-R219 PolarHBondContact NE2-NE 2.6Å; H131-G220 CarbonylContact C-O 3.55Å; H131-G220 WeakPolarHBondContact CA-O 3.48Å; H131-E241 IonicContact CE1-OE2 2.76Å; H131-E241 IonicContact NE2-OE1 3.64Å; H131-E241 IonicContact NE2-OE2 2.68Å; H131-E241 PolarHBondContact NE2-OE2 2.9Å
132	R	92	Very high	92.9	Very high	84 Å²	84	36.7 Å²	36.7	32%	0.317	17%	0.171	S	C	.	.	S	Bend	trans	-91.9	-22.7	174.8	-72.7	-162.8	162.8	-166.7	-13.8	113	Q130 E153 N154 N156 G220 E221 E223	Q130-R132 PolarHBondContact O-N 3.31Å; R132-E153 WeakPolarHBondContact O-CA 3.3Å; R132-N154 PolarHBondContact O-N 3.25Å; R132-N156 PolarHBondContact NH2-OD1 2.98Å; R132-G220 PolarHBondContact N-O 3.3Å; R132-E221 WeakPolarHBondContact CD-O 3.34Å; R132-E221 VanDerWaalsContact CG-O 3.31Å; R132-E221 WeakPolarHBondContact CG-O 3.4Å; R132-E223 IonicContact CZ-OE2 3.94Å; R132-E223 IonicContact NH1-OE2 2.79Å; R132-E223 PolarHBondContact NH1-OE2 2.03Å
133	W	93.5	Very high	92.6	Very high	3 Å²	3	36 Å²	36	1%	0.011	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	154.8	178.3	55.5	-92.7	0	0	0	111.5	Y135 F151 F152 E153 A218 R219 G220 T222 L224 P234 V236	W133-Y135 HydrophobicContact CE3-CD1 4.23Å; W133-Y135 HydrophobicContact CH2-CD1 4.48Å; W133-Y135 AromaticContact CZ3-CD1 3.61Å; W133-Y135 HydrophobicContact CZ3-CD1 3.61Å; W133-Y135 HydrophobicContact CZ3-CE1 4.01Å; W133-F151 HydrophobicContact CE3-CE1 4.45Å; W133-F152 CarbonylContact C-O 3.51Å; W133-F152 WeakPolarHBondContact CA-O 3.1Å; W133-E153 HydrophobicContact CB-CG 4.4Å; W133-A218 HydrophobicContact CH2-CB 4.42Å; W133-A218 HydrophobicContact CZ3-CB 4.13Å; W133-R219 VanDerWaalsContact O-CA 3.23Å; W133-R219 WeakPolarHBondContact O-CA 3.44Å; W133-R219 VanDerWaalsContact O-CB 3.31Å; W133-R219 WeakPolarHBondContact O-CB 3.36Å; W133-G220 PolarHBondContact N-O 2.9Å; W133-G220 PolarHBondContact O-N 2.83Å; W133-T222 PolarHBondContact NE1-O 2.91Å; W133-L224 HydrophobicContact CB-CD1 4Å; W133-L224 HydrophobicContact CD2-CD1 3.83Å; W133-L224 HydrophobicContact CD2-CG 4.3Å; W133-L224 HydrophobicContact CE3-CD1 4.45Å; W133-L224 HydrophobicContact CG-CD1 3.59Å; W133-L224 HydrophobicContact CG-CG 3.89Å; W133-L224 HydrophobicContact CZ2-CD2 4.48Å; W133-P234 HydrophobicContact CH2-CB 3.64Å; W133-P234 HydrophobicContact CH2-CG 4.07Å; W133-P234 HydrophobicContact CZ2-CB 3.56Å; W133-P234 HydrophobicContact CZ2-CG 3.97Å; W133-V236 HydrophobicContact CH2-CG2 3.51Å; W133-V236 HydrophobicContact CZ2-CG2 4.14Å
134	F	95.6	Very high	92.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	143.4	168.2	179.5	-85	0	0	0	107.1	L101 I106 L123 A126 F127 L136 F152 L192 W217 A218 R219	L101-F134 HydrophobicContact CD1-CZ 4.15Å; I106-F134 HydrophobicContact CG2-CE2 4.26Å; L123-F134 HydrophobicContact CD1-CD1 4.21Å; L123-F134 HydrophobicContact CD1-CE1 3.51Å; L123-F134 HydrophobicContact CD1-CZ 4.06Å; L123-F134 HydrophobicContact CD2-CE1 4.35Å; L123-F134 HydrophobicContact CD2-CZ 4.04Å; A126-F134 HydrophobicContact CB-CB 4.33Å; A126-F134 HydrophobicContact CB-CD1 4.25Å; A126-F134 HydrophobicContact CB-CD2 3.74Å; A126-F134 HydrophobicContact CB-CE2 4.13Å; A126-F134 HydrophobicContact CB-CG 3.85Å; A126-F134 WeakPolarHBondContact O-CD2 3.22Å; F127-F134 HydrophobicContact CE1-CB 4.1Å; F127-F134 HydrophobicContact CE2-CB 4.22Å; F127-F134 HydrophobicContact CZ-CB 3.86Å; F134-L136 HydrophobicContact CE1-CB 4.06Å; F134-L136 HydrophobicContact CE1-CD1 4.19Å; F134-L136 HydrophobicContact CZ-CD1 4.34Å; F134-F152 HydrophobicContact CD1-CD2 4.05Å; F134-F152 PolarHBondContact N-O 2.76Å; F134-F152 WeakPolarHBondContact O-CD2 3.38Å; F134-F152 PolarHBondContact O-N 2.76Å; F134-L192 HydrophobicContact CD1-CD2 4.13Å; F134-W217 AromaticContact CE2-CE3 3.86Å; F134-W217 HydrophobicContact CE2-CE3 3.86Å; F134-W217 HydrophobicContact CZ-CB 4.05Å; F134-W217 HydrophobicContact CZ-CE3 4.35Å; F134-A218 CarbonylContact C-O 3.46Å; F134-A218 WeakPolarHBondContact CA-O 3.35Å; F134-R219 HydrophobicContact CB-CB 4.33Å; F134-R219 HydrophobicContact CD2-CB 3.86Å
135	Y	96.4	Very high	92.2	Very high	11 Å²	11	37 Å²	37	4%	0.043	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.8	166.6	76.8	-113.9	0	0	0	111.6	W133 I149 C150 F151 V216 W217 A218	W133-Y135 HydrophobicContact CE3-CD1 4.23Å; W133-Y135 HydrophobicContact CH2-CD1 4.48Å; W133-Y135 AromaticContact CZ3-CD1 3.61Å; W133-Y135 HydrophobicContact CZ3-CD1 3.61Å; W133-Y135 HydrophobicContact CZ3-CE1 4.01Å; Y135-I149 HydrophobicContact CD2-CG2 3.64Å; Y135-I149 HydrophobicContact CG-CG2 3.72Å; Y135-C150 VanDerWaalsContact CA-O 3.24Å; Y135-C150 WeakPolarHBondContact CA-O 3.36Å; Y135-C150 WeakPolarHBondContact CB-O 3.25Å; Y135-F151 HydrophobicContact CD1-CD1 4.49Å; Y135-F151 AromaticContact CD1-CE1 3.73Å; Y135-F151 HydrophobicContact CD1-CE1 3.73Å; Y135-F151 AromaticContact CD1-CZ 3.88Å; Y135-F151 HydrophobicContact CD1-CZ 3.88Å; Y135-F151 HydrophobicContact CG-CE1 4.19Å; Y135-F151 HydrophobicContact CG-CZ 4.23Å; Y135-V216 HydrophobicContact CE2-CB 4.49Å; Y135-V216 HydrophobicContact CE2-CG2 4.18Å; Y135-W217 VanDerWaalsContact CE2-C 3.48Å; Y135-W217 VanDerWaalsContact O-CA 3.28Å; Y135-W217 WeakPolarHBondContact O-CA 3.15Å; Y135-A218 HydrophobicContact CD1-CB 4.02Å; Y135-A218 HydrophobicContact CE1-CB 3.33Å; Y135-A218 HydrophobicContact CE2-CB 4.28Å; Y135-A218 VanDerWaalsContact CZ-CB 3.45Å; Y135-A218 PolarHBondContact N-O 2.92Å; Y135-A218 PolarHBondContact O-N 3.04Å
136	L	97.7	Very high	92.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.1	164.7	-161	79.9	0	0	0	107.7	L101 F121 L123 F134 F138 C150 F152 F194 V215 W217	L101-L136 HydrophobicContact CD1-CD1 3.97Å; F121-L136 HydrophobicContact CD1-CD2 4.35Å; L123-L136 HydrophobicContact CD1-CD1 4.45Å; F134-L136 HydrophobicContact CE1-CB 4.06Å; F134-L136 HydrophobicContact CE1-CD1 4.19Å; F134-L136 HydrophobicContact CZ-CD1 4.34Å; L136-F138 HydrophobicContact CD2-CZ 4.35Å; L136-C150 PolarHBondContact N-O 3.09Å; L136-C150 PolarHBondContact O-N 3.2Å; L136-F152 HydrophobicContact CB-CE2 4.25Å; L136-F194 HydrophobicContact CD2-CE1 4.02Å; L136-F194 HydrophobicContact CD2-CZ 3.71Å; L136-V215 HydrophobicContact CD1-CG1 3.58Å; L136-V215 HydrophobicContact CD2-CG1 4.42Å; L136-V215 HydrophobicContact CG-CG1 3.94Å; L136-W217 HydrophobicContact CD1-CB 4.13Å
137	G	96.9	Very high	92.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	163.7	178.5	0	0	0	0	0	113.6	D148 V215 V216	G137-D148 CarbonylContact C-O 3.58Å; G137-D148 WeakPolarHBondContact CA-O 3.41Å; G137-V215 CarbonylContact O-C 3.51Å; G137-V215 WeakPolarHBondContact O-CA 3.05Å; G137-V216 PolarHBondContact N-O 3.38Å; G137-V216 PolarHBondContact O-N 3.07Å
138	F	96.7	Very high	92.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.5	178.4	-48.7	-75.4	0	0	0	108	F121 L136 D148 L206 L208 M213 V215 L249	F121-F138 HydrophobicContact CE1-CE1 4.2Å; F121-F138 HydrophobicContact CE1-CZ 4.25Å; F121-F138 HydrophobicContact CE2-CZ 4.1Å; F121-F138 AromaticContact CZ-CE1 3.89Å; F121-F138 HydrophobicContact CZ-CE1 3.89Å; F121-F138 AromaticContact CZ-CZ 3.67Å; F121-F138 HydrophobicContact CZ-CZ 3.67Å; L136-F138 HydrophobicContact CD2-CZ 4.35Å; F138-D148 PolarHBondContact N-O 2.77Å; F138-D148 PolarHBondContact O-N 2.81Å; F138-D148 VanDerWaalsContact O-N 3.07Å; F138-L206 HydrophobicContact CB-CB 4.31Å; F138-L206 HydrophobicContact CB-CD2 3.89Å; F138-L208 HydrophobicContact CD1-CD2 4.11Å; F138-L208 HydrophobicContact CE1-CD2 4.26Å; F138-L208 HydrophobicContact CG-CD2 4.24Å; F138-M213 HydrophobicContact CB-CE 4.09Å; F138-M213 HydrophobicContact CD1-CE 4.28Å; F138-M213 HydrophobicContact CG-CE 4.49Å; F138-V215 HydrophobicContact CD1-CG2 4.31Å; F138-V215 HydrophobicContact CE1-CG2 4.41Å; F138-L249 HydrophobicContact CD1-CD1 3.8Å; F138-L249 HydrophobicContact CE1-CD1 3.62Å
139	S	94	Very high	92.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	157.9	178.7	66.6	0	0	0	0	110.2	G142 G143 Y214	S139-G142 WeakPolarHBondContact OG-CA 3.48Å; S139-G142 PolarHBondContact OG-N 2.82Å; S139-G143 WeakPolarHBondContact CB-O 3.36Å; S139-Y214 PolarHBondContact N-O 3.32Å; S139-Y214 WeakPolarHBondContact O-CB 3.1Å; S139-Y214 WeakPolarHBondContact OG-CB 3.42Å; S139-Y214 PolarHBondContact OG-O 2.84Å
140	K	88.9	Confident	93.6	Very high	25 Å²	25	26.1 Å²	26.1	11%	0.109	14%	0.141	C	C	.	.	S	Bend	trans	-66	-51.1	175.4	-68.3	-177.1	169.9	-176.9	0	112.6	L206 Y214 Y488 L657 K659 Y670	K140-L206 HydrophobicContact CG-CD1 4.12Å; K140-Y214 WeakPolarHBondContact O-CD2 3.47Å; K140-Y214 VanDerWaalsContact O-CE2 3.25Å; K140-Y214 WeakPolarHBondContact O-CE2 3.46Å; K140-Y488 HydrophobicContact CB-CD1 3.78Å; K140-Y488 HydrophobicContact CB-CE1 3.34Å; K140-Y488 HydrophobicContact CD-CE1 3.98Å; K140-Y488 HydrophobicContact CG-CD1 4.43Å; K140-Y488 HydrophobicContact CG-CE1 3.52Å; K140-Y488 WeakPolarHBondContact O-CB 3.44Å; K140-Y488 WeakPolarHBondContact O-CD1 3.12Å; K140-L657 WeakPolarHBondContact CE-O 3.18Å; K140-L657 PolarHBondContact NZ-O 3.1Å; K140-K659 PolarHBondContact NZ-O 3.04Å; K140-Y670 VanDerWaalsContact CD-OXT 3.29Å; K140-Y670 WeakPolarHBondContact CD-OXT 2.99Å; K140-Y670 PolarHBondContact NZ-OXT 2.9Å
141	R	90.8	Very high	94	Very high	85 Å²	85	20 Å²	20	32%	0.321	11%	0.113	S	C	.	.	S	Bend	trans	-138.7	29.5	-171	-62	-172	-178.3	-83.5	-4.1	112.8	G143 V467 D487 Y488 Y670	R141-G143 PolarHBondContact O-N 3.26Å; R141-V467 PolarHBondContact NH1-O 3.02Å; R141-V467 PolarHBondContact NH2-O 3.46Å; R141-D487 PolarHBondContact NH2-O 2.89Å; R141-D487 VanDerWaalsContact NH2-O 3.09Å; R141-Y488 HydrophobicContact CG-CD1 4.03Å; R141-Y670 PolarHBondContact NE-O 3.11Å; R141-Y670 VanDerWaalsContact NE-O 3.11Å
142	G	91.2	Very high	94.2	Very high	17 Å²	17	19.8 Å²	19.8	18%	0.175	11%	0.112	C	C	.	.	S	Bend	trans	82.9	-14.8	178.8	0	0	0	0	0	115.4	S139 Y214	S139-G142 WeakPolarHBondContact OG-CA 3.48Å; S139-G142 PolarHBondContact OG-N 2.82Å; G142-Y214 VanDerWaalsContact N-CD1 3.29Å; G142-Y214 VanDerWaalsContact N-CG 3.33Å
143	G	91.4	Very high	94.2	Very high	44 Å²	44	16.8 Å²	16.8	45%	0.454	10%	0.101	S	C	.	.			trans	-73.8	156.7	172	0	0	0	0	0	112.5	S139 R141 A145	S139-G143 WeakPolarHBondContact CB-O 3.36Å; R141-G143 PolarHBondContact O-N 3.26Å; G143-A145 VanDerWaalsContact C-N 3.34Å
144	L	93.5	Very high	94	Very high	47 Å²	47	17.5 Å²	17.5	25%	0.246	11%	0.105	C	C	.	.	S	Bend	trans	-94.4	15.3	178.1	-63.1	173.2	0	0	0	112.9	A147 I149 T167 G171 V216 L233	L144-A147 HydrophobicContact CD2-CB 4.45Å; L144-I149 HydrophobicContact CD2-CD1 4.36Å; L144-T167 WeakPolarHBondContact O-CB 2.94Å; L144-T167 PolarHBondContact O-OG1 3.23Å; L144-G171 VanDerWaalsContact O-CA 3.22Å; L144-G171 WeakPolarHBondContact O-CA 3.04Å; L144-V216 HydrophobicContact CD2-CB 3.95Å; L144-V216 HydrophobicContact CD2-CG1 4.04Å; L144-V216 HydrophobicContact CD2-CG2 3.69Å; L144-L233 HydrophobicContact CB-CD2 4.07Å; L144-L233 HydrophobicContact CD1-CD2 3.54Å; L144-L233 HydrophobicContact CG-CD2 4.41Å
145	A	91.8	Very high	93.5	Very high	47 Å²	47	22 Å²	22	39%	0.388	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	131	170.3	0	0	0	0	0	109.5	G143 A147 P169	G143-A145 VanDerWaalsContact C-N 3.34Å; A145-A147 PolarHBondContact O-N 3.37Å; A145-A147 VanDerWaalsContact O-N 3.17Å; A145-P169 WeakPolarHBondContact CB-O 3.45Å
146	D	91.4	Very high	92.8	Very high	52 Å²	52	27.6 Å²	27.6	28%	0.278	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	41.9	-178.8	-64.1	-43.3	0	0	0	111.6	T167 S168 P169 L657	D146-T167 PolarHBondContact N-OG1 3.07Å; D146-S168 PolarHBondContact N-O 3.18Å; D146-P169 WeakPolarHBondContact OD1-CA 3.43Å; D146-P169 WeakPolarHBondContact OD1-CG 3.29Å; D146-L657 HydrophobicContact CB-CD2 3.76Å; D146-L657 WeakPolarHBondContact O-CD1 3.24Å
147	A	94.8	Very high	92	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.181	C	C	.	.			trans	-95.4	143.3	178.8	0	0	0	0	0	109.7	L144 A145 I149 Y166 T167	L144-A147 HydrophobicContact CD2-CB 4.45Å; A145-A147 PolarHBondContact O-N 3.37Å; A145-A147 VanDerWaalsContact O-N 3.17Å; A147-I149 HydrophobicContact CB-CD1 4.44Å; A147-I149 HydrophobicContact CB-CG1 4.34Å; A147-Y166 CarbonylContact O-C 3.53Å; A147-Y166 WeakPolarHBondContact O-CA 3.37Å; A147-T167 HydrophobicContact CB-CG2 4.29Å; A147-T167 PolarHBondContact N-OG1 3.47Å; A147-T167 PolarHBondContact O-N 2.85Å; A147-T167 PolarHBondContact O-OG1 3.04Å
148	D	96.1	Very high	91.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	127	179.8	162.8	-15.5	0	0	0	108	G137 F138 R196 D205 L206 L657	G137-D148 CarbonylContact C-O 3.58Å; G137-D148 WeakPolarHBondContact CA-O 3.41Å; F138-D148 PolarHBondContact N-O 2.77Å; F138-D148 PolarHBondContact O-N 2.81Å; F138-D148 VanDerWaalsContact O-N 3.07Å; D148-R196 IonicContact OD1-CZ 3.56Å; D148-R196 IonicContact OD1-NH1 3.67Å; D148-R196 PolarHBondContact OD1-NH1 3.01Å; D148-R196 IonicContact OD2-CZ 3.98Å; D148-R196 IonicContact OD2-NH1 3.57Å; D148-R196 PolarHBondContact OD2-NH1 3.27Å; D148-R196 IonicContact OD2-NH2 3.43Å; D148-R196 PolarHBondContact OD2-NH2 2.77Å; D148-D205 VanDerWaalsContact OD2-CA 3.26Å; D148-D205 WeakPolarHBondContact OD2-CA 3.27Å; D148-D205 WeakPolarHBondContact OD2-CB 3.41Å; D148-L206 HydrophobicContact CB-CB 4.18Å; D148-L206 PolarHBondContact OD2-N 2.93Å; D148-L657 HydrophobicContact CB-CD1 3.79Å
149	I	96.6	Very high	90.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	120.7	-164.9	-53.6	-175.6	0	0	0	111.3	Y135 L144 A147 F151 T165 T167	Y135-I149 HydrophobicContact CD2-CG2 3.64Å; Y135-I149 HydrophobicContact CG-CG2 3.72Å; L144-I149 HydrophobicContact CD2-CD1 4.36Å; A147-I149 HydrophobicContact CB-CD1 4.44Å; A147-I149 HydrophobicContact CB-CG1 4.34Å; I149-F151 HydrophobicContact CB-CD2 4.43Å; I149-F151 HydrophobicContact CB-CE2 4.08Å; I149-F151 HydrophobicContact CG2-CD2 3.7Å; I149-F151 HydrophobicContact CG2-CE2 3.42Å; I149-F151 VanDerWaalsContact CG2-CE2 3.42Å; I149-F151 HydrophobicContact CG2-CZ 4.12Å; I149-T165 PolarHBondContact N-O 2.85Å; I149-T165 PolarHBondContact O-N 2.98Å; I149-T165 VanDerWaalsContact O-O 3.13Å; I149-T165 PolarHBondContact O-OG1 2.89Å; I149-T167 HydrophobicContact CD1-CG2 3.46Å; I149-T167 VanDerWaalsContact CD1-CG2 3.46Å; I149-T167 HydrophobicContact CG1-CG2 4.31Å
150	C	97.1	Very high	90.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	114.8	165.1	-52.9	0	0	0	0	110	Y135 L136 F152 C182	Y135-C150 VanDerWaalsContact CA-O 3.24Å; Y135-C150 WeakPolarHBondContact CA-O 3.36Å; Y135-C150 WeakPolarHBondContact CB-O 3.25Å; L136-C150 PolarHBondContact N-O 3.09Å; L136-C150 PolarHBondContact O-N 3.2Å; C150-F152 HydrophobicContact CB-CE1 4.35Å; C150-F152 HydrophobicContact CB-CE2 3.57Å; C150-F152 HydrophobicContact CB-CZ 3.47Å; C150-F152 VanDerWaalsContact CB-CZ 3.47Å; C150-F152 WeakPolarHBondContact O-CD2 3.22Å; C150-F152 VanDerWaalsContact O-CE2 3.28Å; C150-F152 WeakPolarHBondContact O-CE2 3.16Å; C150-C182 HydrophobicContact CB-CB 3.74Å; C150-C182 WeakPolarHBondContact CB-SG 3.15Å; C150-C182 WeakPolarHBondContact SG-CB 3.23Å; C150-C182 CovalentContact SG-SG 2.02Å; C150-C182 PolarHBondContact SG-SG 2.97Å
151	F	95.8	Very high	90.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138.4	168.7	-80.1	-95.4	0	0	0	111	W133 Y135 I149 V162 T163 T165 V174 L224 L226 F231	W133-F151 HydrophobicContact CE3-CE1 4.45Å; Y135-F151 HydrophobicContact CD1-CD1 4.49Å; Y135-F151 AromaticContact CD1-CE1 3.73Å; Y135-F151 HydrophobicContact CD1-CE1 3.73Å; Y135-F151 AromaticContact CD1-CZ 3.88Å; Y135-F151 HydrophobicContact CD1-CZ 3.88Å; Y135-F151 HydrophobicContact CG-CE1 4.19Å; Y135-F151 HydrophobicContact CG-CZ 4.23Å; I149-F151 HydrophobicContact CB-CD2 4.43Å; I149-F151 HydrophobicContact CB-CE2 4.08Å; I149-F151 HydrophobicContact CG2-CD2 3.7Å; I149-F151 HydrophobicContact CG2-CE2 3.42Å; I149-F151 VanDerWaalsContact CG2-CE2 3.42Å; I149-F151 HydrophobicContact CG2-CZ 4.12Å; F151-V162 CarbonylContact O-C 3.53Å; F151-V162 VanDerWaalsContact O-CA 3.28Å; F151-V162 WeakPolarHBondContact O-CA 3.14Å; F151-T163 PolarHBondContact N-O 3.43Å; F151-T163 PolarHBondContact O-N 2.84Å; F151-T165 HydrophobicContact CD2-CG2 3.82Å; F151-T165 VanDerWaalsContact CD2-OG1 3.26Å; F151-T165 WeakPolarHBondContact CD2-OG1 3.26Å; F151-T165 HydrophobicContact CE2-CG2 4.38Å; F151-T165 WeakPolarHBondContact CE2-OG1 3.45Å; F151-V174 HydrophobicContact CD2-CG1 4.44Å; F151-V174 HydrophobicContact CE2-CG1 3.73Å; F151-V174 HydrophobicContact CE2-CG2 4.23Å; F151-V174 HydrophobicContact CZ-CG1 4.38Å; F151-V174 HydrophobicContact CZ-CG2 4.16Å; F151-L224 HydrophobicContact CD1-CD1 3.51Å; F151-L224 HydrophobicContact CE1-CD1 3.59Å; F151-L226 HydrophobicContact CB-CD1 4.21Å; F151-F231 HydrophobicContact CD2-CZ 4.47Å; F151-F231 HydrophobicContact CE1-CE2 4.43Å; F151-F231 HydrophobicContact CE1-CZ 4.26Å; F151-F231 HydrophobicContact CE2-CZ 4.08Å; F151-F231 HydrophobicContact CZ-CE2 4.26Å; F151-F231 AromaticContact CZ-CZ 3.97Å; F151-F231 HydrophobicContact CZ-CZ 3.97Å
152	F	95.5	Very high	90.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.1	177.9	-53.8	-82.7	0	0	0	108.6	F127 W133 F134 L136 C150 V162 V184 M187 L192 F194	F127-F152 HydrophobicContact CE2-CB 4.35Å; F127-F152 HydrophobicContact CZ-CB 3.85Å; F127-F152 WeakPolarHBondContact CZ-O 3.41Å; W133-F152 CarbonylContact C-O 3.51Å; W133-F152 WeakPolarHBondContact CA-O 3.1Å; F134-F152 HydrophobicContact CD1-CD2 4.05Å; F134-F152 PolarHBondContact N-O 2.76Å; F134-F152 WeakPolarHBondContact O-CD2 3.38Å; F134-F152 PolarHBondContact O-N 2.76Å; L136-F152 HydrophobicContact CB-CE2 4.25Å; C150-F152 HydrophobicContact CB-CE1 4.35Å; C150-F152 HydrophobicContact CB-CE2 3.57Å; C150-F152 HydrophobicContact CB-CZ 3.47Å; C150-F152 VanDerWaalsContact CB-CZ 3.47Å; C150-F152 WeakPolarHBondContact O-CD2 3.22Å; C150-F152 VanDerWaalsContact O-CE2 3.28Å; C150-F152 WeakPolarHBondContact O-CE2 3.16Å; F152-V162 HydrophobicContact CD1-CB 4.16Å; F152-V162 HydrophobicContact CD1-CG2 3.78Å; F152-V162 HydrophobicContact CE1-CB 4.39Å; F152-V162 HydrophobicContact CE1-CG2 3.62Å; F152-V184 HydrophobicContact CD1-CG2 3.84Å; F152-V184 HydrophobicContact CE1-CG2 3.55Å; F152-M187 HydrophobicContact CB-SD 3.82Å; F152-M187 HydrophobicContact CD1-SD 4.07Å; F152-M187 HydrophobicContact CG-SD 4.36Å; F152-L192 HydrophobicContact CB-CD2 4.01Å; F152-L192 HydrophobicContact CD1-CD1 3.43Å; F152-L192 VanDerWaalsContact CD1-CD1 3.43Å; F152-L192 HydrophobicContact CD1-CD2 3.8Å; F152-L192 HydrophobicContact CD1-CG 4.24Å; F152-L192 HydrophobicContact CD2-CD2 3.43Å; F152-L192 VanDerWaalsContact CD2-CD2 3.43Å; F152-L192 HydrophobicContact CE1-CD1 3.61Å; F152-L192 HydrophobicContact CE1-CD2 4.09Å; F152-L192 HydrophobicContact CE1-CG 4.36Å; F152-L192 HydrophobicContact CE2-CD2 3.73Å; F152-L192 HydrophobicContact CG-CD1 3.96Å; F152-L192 HydrophobicContact CG-CD2 3.45Å; F152-L192 VanDerWaalsContact CG-CD2 3.45Å; F152-L192 HydrophobicContact CG-CG 4.35Å; F152-L192 HydrophobicContact CZ-CD1 4.26Å; F152-L192 HydrophobicContact CZ-CD2 4.04Å; F152-F194 HydrophobicContact CE1-CB 4.35Å; F152-F194 HydrophobicContact CE1-CD1 4.06Å; F152-F194 HydrophobicContact CE1-CG 4.17Å; F152-F194 HydrophobicContact CE2-CD1 4.5Å; F152-F194 HydrophobicContact CE2-CE1 4.26Å; F152-F194 AromaticContact CZ-CD1 3.59Å; F152-F194 HydrophobicContact CZ-CD1 3.59Å; F152-F194 HydrophobicContact CZ-CD2 4.3Å; F152-F194 AromaticContact CZ-CE1 3.68Å; F152-F194 HydrophobicContact CZ-CE1 3.68Å; F152-F194 HydrophobicContact CZ-CE2 4.38Å; F152-F194 AromaticContact CZ-CG 3.92Å; F152-F194 HydrophobicContact CZ-CG 3.92Å; F152-F194 HydrophobicContact CZ-CZ 4.09Å
153	E	92.9	Very high	90.4	Very high	21 Å²	21	41.4 Å²	41.4	10%	0.098	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.1	-174.5	-63.8	175.5	83.7	0	0	112.6	R132 W133 Q155 A161 L226	R132-E153 WeakPolarHBondContact O-CA 3.3Å; W133-E153 HydrophobicContact CB-CG 4.4Å; E153-Q155 HydrophobicContact CB-CG 4.41Å; E153-A161 HydrophobicContact CB-CB 3.9Å; E153-A161 PolarHBondContact N-O 2.89Å; E153-L226 HydrophobicContact CG-CD1 3.74Å; E153-L226 WeakPolarHBondContact OE2-CD1 3.12Å
154	N	89.6	Confident	90.6	Very high	18 Å²	18	39.4 Å²	39.4	10%	0.096	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	95	166.7	172.1	15.1	0	0	0	108.5	F127 H131 R132 N156 G157 F159	F127-N154 HydrophobicContact CD1-CB 3.95Å; F127-N154 HydrophobicContact CE1-CB 3.94Å; H131-N154 PolarHBondContact O-ND2 2.9Å; R132-N154 PolarHBondContact O-N 3.25Å; N154-N156 PolarHBondContact O-N 3.5Å; N154-N156 VanDerWaalsContact O-N 3.16Å; N154-G157 VanDerWaalsContact OD1-CA 3.22Å; N154-G157 WeakPolarHBondContact OD1-CA 3.48Å; N154-G157 PolarHBondContact OD1-N 3.46Å; N154-F159 HydrophobicContact CB-CD1 4.01Å; N154-F159 HydrophobicContact CB-CE1 3.64Å; N154-F159 HydrophobicContact CB-CZ 4.12Å
155	Q	84.9	Confident	90.7	Very high	94 Å²	94	37.1 Å²	37.1	44%	0.439	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	86.8	178.2	-65.3	-176.3	-10	0	0	109.7	E153 G157 F158	E153-Q155 HydrophobicContact CB-CG 4.41Å; Q155-G157 VanDerWaalsContact C-N 3.29Å; Q155-G157 PolarHBondContact O-N 3.08Å; Q155-F158 HydrophobicContact CB-CB 4.45Å; Q155-F158 PolarHBondContact N-O 2.96Å; Q155-F158 WeakPolarHBondContact O-CB 3.37Å; Q155-F158 VanDerWaalsContact O-CD2 3.31Å; Q155-F158 WeakPolarHBondContact O-CD2 3.14Å; Q155-F158 PolarHBondContact O-N 3.4Å
156	N	81	Confident	90.8	Very high	129 Å²	129	36.3 Å²	36.3	69%	0.69	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	42.8	177.5	-57.4	-46.3	0	0	0	113.7	R132 N154	R132-N156 PolarHBondContact NH2-OD1 2.98Å; N154-N156 PolarHBondContact O-N 3.5Å; N154-N156 VanDerWaalsContact O-N 3.16Å
157	G	80.6	Confident	91	Very high	48 Å²	48	33.9 Å²	33.9	50%	0.495	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	-4.5	-178.8	0	0	0	0	0	114.6	N154 Q155 F159	N154-G157 VanDerWaalsContact OD1-CA 3.22Å; N154-G157 WeakPolarHBondContact OD1-CA 3.48Å; N154-G157 PolarHBondContact OD1-N 3.46Å; Q155-G157 VanDerWaalsContact C-N 3.29Å; Q155-G157 PolarHBondContact O-N 3.08Å; G157-F159 WeakPolarHBondContact O-CD2 3.44Å
158	F	83.7	Confident	90.9	Very high	142 Å²	142	34 Å²	34	62%	0.623	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	105	172.5	-63.9	-76.7	0	0	0	110.6	Q155 N160	Q155-F158 HydrophobicContact CB-CB 4.45Å; Q155-F158 PolarHBondContact N-O 2.96Å; Q155-F158 WeakPolarHBondContact O-CB 3.37Å; Q155-F158 VanDerWaalsContact O-CD2 3.31Å; Q155-F158 WeakPolarHBondContact O-CD2 3.14Å; Q155-F158 PolarHBondContact O-N 3.4Å; F158-N160 PolarHBondContact O-N 3.43Å
159	F	83.8	Confident	90.6	Very high	42 Å²	42	38.2 Å²	38.2	18%	0.184	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	72.3	179.1	-66.4	-89.6	0	0	0	111	F127 N154 G157 M187 E189	F127-F159 HydrophobicContact CB-CE1 3.99Å; F127-F159 HydrophobicContact CD1-CE1 4.11Å; F127-F159 HydrophobicContact CD2-CD1 4.23Å; F127-F159 AromaticContact CD2-CE1 3.96Å; F127-F159 HydrophobicContact CD2-CE1 3.96Å; F127-F159 HydrophobicContact CE2-CD1 4.38Å; F127-F159 HydrophobicContact CE2-CE1 4.49Å; F127-F159 HydrophobicContact CG-CD1 4.42Å; F127-F159 AromaticContact CG-CE1 3.76Å; F127-F159 HydrophobicContact CG-CE1 3.76Å; N154-F159 HydrophobicContact CB-CD1 4.01Å; N154-F159 HydrophobicContact CB-CE1 3.64Å; N154-F159 HydrophobicContact CB-CZ 4.12Å; G157-F159 WeakPolarHBondContact O-CD2 3.44Å; F159-M187 HydrophobicContact CB-CB 4.14Å; F159-M187 HydrophobicContact CB-CE 4.05Å; F159-M187 HydrophobicContact CB-CG 3.95Å; F159-M187 WeakPolarHBondContact CB-O 3.46Å; F159-M187 HydrophobicContact CD1-CG 4.27Å; F159-M187 WeakPolarHBondContact O-CE 3.31Å; F159-E189 HydrophobicContact CE2-CB 4.2Å; F159-E189 HydrophobicContact CZ-CB 3.93Å
160	N	80.1	Confident	90.5	Very high	118 Å²	118	42.9 Å²	42.9	63%	0.631	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-141.6	-3	-179	66.2	-17.5	0	0	0	115.4	F158	F158-N160 PolarHBondContact O-N 3.43Å
161	A	89.7	Confident	90.2	Very high	18 Å²	18	43.2 Å²	43.2	15%	0.149	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.2	-179.1	0	0	0	0	0	110.3	E153	E153-A161 HydrophobicContact CB-CB 3.9Å; E153-A161 PolarHBondContact N-O 2.89Å
162	V	93.6	Very high	90.1	Very high	41 Å²	41	48.9 Å²	48.9	25%	0.248	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136	169.3	58.7	0	0	0	0	108.2	F151 F152 C182 V184	F151-V162 CarbonylContact O-C 3.53Å; F151-V162 VanDerWaalsContact O-CA 3.28Å; F151-V162 WeakPolarHBondContact O-CA 3.14Å; F152-V162 HydrophobicContact CD1-CB 4.16Å; F152-V162 HydrophobicContact CD1-CG2 3.78Å; F152-V162 HydrophobicContact CE1-CB 4.39Å; F152-V162 HydrophobicContact CE1-CG2 3.62Å; V162-C182 HydrophobicContact CG2-CB 3.95Å; V162-V184 HydrophobicContact CB-CG2 3.67Å; V162-V184 HydrophobicContact CG1-CB 4.24Å; V162-V184 HydrophobicContact CG1-CG2 3.81Å; V162-V184 HydrophobicContact CG2-CG2 3.81Å
163	T	94.4	Very high	90.1	Very high	9 Å²	9	54.1 Å²	54.1	6%	0.055	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	121	175.8	-54.1	0	0	0	0	108.8	F151 T165 R176 L226	F151-T163 PolarHBondContact N-O 3.43Å; F151-T163 PolarHBondContact O-N 2.84Å; T163-T165 HydrophobicContact CG2-CG2 3.75Å; T163-R176 HydrophobicContact CG2-CG 3.85Å; T163-L226 HydrophobicContact CG2-CD2 3.99Å
164	D	95.5	Very high	90.1	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	134.2	168.8	-155.4	-11.1	0	0	0	110	D177 Q180 D181 C182	D164-D177 HydrophobicContact CB-CB 4.35Å; D164-D177 WeakPolarHBondContact O-CB 3.48Å; D164-D177 PolarHBondContact O-N 2.91Å; D164-Q180 HydrophobicContact CB-CB 4.38Å; D164-Q180 PolarHBondContact O-NE2 2.97Å; D164-D181 WeakPolarHBondContact OD2-CA 3.04Å; D164-D181 PolarHBondContact OD2-N 3.32Å; D164-C182 PolarHBondContact OD1-SG 2.94Å; D164-C182 VanDerWaalsContact OD1-SG 3.42Å; D164-C182 PolarHBondContact OD2-N 3.37Å; D164-C182 PolarHBondContact OD2-SG 3.25Å
165	T	95.6	Very high	90.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	161.6	-170.4	70.8	0	0	0	0	111.3	I149 F151 T163 V174 R175 L226	I149-T165 PolarHBondContact N-O 2.85Å; I149-T165 PolarHBondContact O-N 2.98Å; I149-T165 VanDerWaalsContact O-O 3.13Å; I149-T165 PolarHBondContact O-OG1 2.89Å; F151-T165 HydrophobicContact CD2-CG2 3.82Å; F151-T165 VanDerWaalsContact CD2-OG1 3.26Å; F151-T165 WeakPolarHBondContact CD2-OG1 3.26Å; F151-T165 HydrophobicContact CE2-CG2 4.38Å; F151-T165 WeakPolarHBondContact CE2-OG1 3.45Å; T163-T165 HydrophobicContact CG2-CG2 3.75Å; T165-V174 VanDerWaalsContact CB-CG1 3.47Å; T165-V174 HydrophobicContact CG2-CG1 3.82Å; T165-V174 WeakPolarHBondContact OG1-CG1 3.35Å; T165-R175 CarbonylContact C-O 3.56Å; T165-R175 WeakPolarHBondContact CA-O 3.35Å; T165-R175 WeakPolarHBondContact CB-O 3.4Å; T165-L226 HydrophobicContact CG2-CD2 4.33Å
166	Y	94.8	Very high	90.7	Very high	30 Å²	30	56.2 Å²	56.2	12%	0.118	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.2	171	64.2	-80.6	0	0	0	110.3	A147 R175 D177 L204	A147-Y166 CarbonylContact O-C 3.53Å; A147-Y166 WeakPolarHBondContact O-CA 3.37Å; Y166-R175 HydrophobicContact CD1-CB 4.31Å; Y166-R175 HydrophobicContact CD2-CB 4.47Å; Y166-R175 HydrophobicContact CE1-CB 3.73Å; Y166-R175 HydrophobicContact CE2-CB 3.98Å; Y166-R175 HydrophobicContact CE2-CG 4.43Å; Y166-R175 PolarHBondContact N-O 2.94Å; Y166-R175 PolarHBondContact O-N 3.37Å; Y166-D177 HydrophobicContact CD1-CB 4.26Å; Y166-L204 HydrophobicContact CD1-CB 4.12Å; Y166-L204 HydrophobicContact CD1-CD1 4.03Å; Y166-L204 HydrophobicContact CD1-CG 4.49Å; Y166-L204 HydrophobicContact CD2-CD2 4.22Å; Y166-L204 HydrophobicContact CE1-CD1 3.59Å; Y166-L204 HydrophobicContact CE1-CD2 4.48Å; Y166-L204 HydrophobicContact CE1-CG 4.41Å; Y166-L204 HydrophobicContact CE2-CD1 4.48Å; Y166-L204 HydrophobicContact CE2-CD2 3.98Å; Y166-L204 HydrophobicContact CG-CB 4.29Å
167	T	95.1	Very high	91.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	157.3	179.2	64.6	0	0	0	0	112.3	L144 D146 A147 I149 W173 V174 L233	L144-T167 WeakPolarHBondContact O-CB 2.94Å; L144-T167 PolarHBondContact O-OG1 3.23Å; D146-T167 PolarHBondContact N-OG1 3.07Å; A147-T167 HydrophobicContact CB-CG2 4.29Å; A147-T167 PolarHBondContact N-OG1 3.47Å; A147-T167 PolarHBondContact O-N 2.85Å; A147-T167 PolarHBondContact O-OG1 3.04Å; I149-T167 HydrophobicContact CD1-CG2 3.46Å; I149-T167 VanDerWaalsContact CD1-CG2 3.46Å; I149-T167 HydrophobicContact CG1-CG2 4.31Å; T167-W173 CarbonylContact C-O 3.53Å; T167-W173 VanDerWaalsContact CA-O 3.24Å; T167-W173 WeakPolarHBondContact CA-O 3.34Å; T167-V174 HydrophobicContact CG2-CG2 4.4Å; T167-L233 HydrophobicContact CG2-CD1 4.28Å
168	S	93.2	Very high	91.7	Very high	3 Å²	3	57 Å²	57	2%	0.021	27%	0.267	C	S	.	.			trans	-67.2	161	172	51.9	0	0	0	0	112.6	D146 D170 G171 Q172 W173	D146-S168 PolarHBondContact N-O 3.18Å; S168-D170 VanDerWaalsContact CB-OD1 3.27Å; S168-D170 WeakPolarHBondContact CB-OD1 3.43Å; S168-D170 PolarHBondContact O-N 2.9Å; S168-D170 VanDerWaalsContact O-N 3.08Å; S168-D170 PolarHBondContact OG-OD1 3.34Å; S168-G171 WeakPolarHBondContact O-CA 3.27Å; S168-G171 PolarHBondContact O-N 2.95Å; S168-Q172 PolarHBondContact OG-N 3.01Å; S168-W173 PolarHBondContact N-O 2.73Å; S168-W173 PolarHBondContact OG-N 3.27Å; S168-W173 PolarHBondContact OG-O 2.92Å
169	P	90.3	Very high	92.1	Very high	89 Å²	89	54.5 Å²	54.5	58%	0.578	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.2	177.8	-26.2	32.8	0	0	0	115.6	A145 D146	A145-P169 WeakPolarHBondContact CB-O 3.45Å; D146-P169 WeakPolarHBondContact OD1-CA 3.43Å; D146-P169 WeakPolarHBondContact OD1-CG 3.29Å
170	D	92.5	Very high	92.6	Very high	98 Å²	98	56 Å²	56	52%	0.524	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-1.2	174	61.4	3.1	0	0	0	113.1	S168 Q172	S168-D170 VanDerWaalsContact CB-OD1 3.27Å; S168-D170 WeakPolarHBondContact CB-OD1 3.43Å; S168-D170 PolarHBondContact O-N 2.9Å; S168-D170 VanDerWaalsContact O-N 3.08Å; S168-D170 PolarHBondContact OG-OD1 3.34Å; D170-Q172 HydrophobicContact CB-CG 4.25Å; D170-Q172 PolarHBondContact O-N 3.03Å; D170-Q172 PolarHBondContact O-NE2 3.03Å; D170-Q172 PolarHBondContact OD1-N 2.94Å; D170-Q172 VanDerWaalsContact OD1-N 3.11Å
171	G	92.5	Very high	93.3	Very high	7 Å²	7	51.2 Å²	51.2	7%	0.072	24%	0.239	C	C	.	.	S	Bend	trans	64.6	17.1	-178.1	0	0	0	0	0	115.1	L144 S168 L233	L144-G171 VanDerWaalsContact O-CA 3.22Å; L144-G171 WeakPolarHBondContact O-CA 3.04Å; S168-G171 WeakPolarHBondContact O-CA 3.27Å; S168-G171 PolarHBondContact O-N 2.95Å; G171-L233 WeakPolarHBondContact O-CD2 3.29Å
172	Q	93.6	Very high	93.6	Very high	119 Å²	119	50.7 Å²	50.7	56%	0.556	24%	0.235	S	C	*	.			trans	-92.6	-26.5	-176.5	-61.9	-56.4	-57.6	0	0	114	S168 D170 L233	S168-Q172 PolarHBondContact OG-N 3.01Å; D170-Q172 HydrophobicContact CB-CG 4.25Å; D170-Q172 PolarHBondContact O-N 3.03Å; D170-Q172 PolarHBondContact O-NE2 3.03Å; D170-Q172 PolarHBondContact OD1-N 2.94Å; D170-Q172 VanDerWaalsContact OD1-N 3.11Å; Q172-L233 PolarHBondContact O-N 2.99Å
173	W	94.1	Very high	93.7	Very high	110 Å²	110	52.7 Å²	52.7	42%	0.417	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.6	-174.1	-64.2	90.4	0	0	0	110.6	T167 S168 F231 A232	T167-W173 CarbonylContact C-O 3.53Å; T167-W173 VanDerWaalsContact CA-O 3.24Å; T167-W173 WeakPolarHBondContact CA-O 3.34Å; S168-W173 PolarHBondContact N-O 2.73Å; S168-W173 PolarHBondContact OG-N 3.27Å; S168-W173 PolarHBondContact OG-O 2.92Å; W173-F231 WeakPolarHBondContact CA-O 3.41Å; W173-A232 HydrophobicContact CZ3-CB 4.44Å
174	V	94.7	Very high	93.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.8	167	-178.2	0	0	0	0	107.8	F151 T165 T167 Q230 F231 L233	F151-V174 HydrophobicContact CD2-CG1 4.44Å; F151-V174 HydrophobicContact CE2-CG1 3.73Å; F151-V174 HydrophobicContact CE2-CG2 4.23Å; F151-V174 HydrophobicContact CZ-CG1 4.38Å; F151-V174 HydrophobicContact CZ-CG2 4.16Å; T165-V174 VanDerWaalsContact CB-CG1 3.47Å; T165-V174 HydrophobicContact CG2-CG1 3.82Å; T165-V174 WeakPolarHBondContact OG1-CG1 3.35Å; T167-V174 HydrophobicContact CG2-CG2 4.4Å; V174-Q230 CarbonylContact O-C 3.51Å; V174-Q230 WeakPolarHBondContact O-CA 3.4Å; V174-F231 HydrophobicContact CB-CD1 4.11Å; V174-F231 HydrophobicContact CB-CD2 4.28Å; V174-F231 HydrophobicContact CB-CE1 3.6Å; V174-F231 HydrophobicContact CB-CE2 3.83Å; V174-F231 HydrophobicContact CB-CG 4.41Å; V174-F231 HydrophobicContact CB-CZ 3.46Å; V174-F231 VanDerWaalsContact CB-CZ 3.46Å; V174-F231 HydrophobicContact CG1-CD1 4.35Å; V174-F231 HydrophobicContact CG1-CE1 3.43Å; V174-F231 VanDerWaalsContact CG1-CE1 3.43Å; V174-F231 HydrophobicContact CG1-CE2 4.22Å; V174-F231 HydrophobicContact CG1-CZ 3.38Å; V174-F231 HydrophobicContact CG2-CE2 3.93Å; V174-F231 HydrophobicContact CG2-CZ 3.91Å; V174-F231 PolarHBondContact N-O 2.84Å; V174-F231 PolarHBondContact O-N 3Å; V174-L233 HydrophobicContact CG2-CB 4.07Å; V174-L233 HydrophobicContact CG2-CD1 3.45Å; V174-L233 VanDerWaalsContact CG2-CD1 3.45Å; V174-L233 HydrophobicContact CG2-CG 4.37Å
175	R	93.9	Very high	93.6	Very high	74 Å²	74	59.6 Å²	59.6	28%	0.279	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.8	176.2	-64.3	-169.4	-180	98.9	5	109.6	T165 Y166 D177 H229 Q230	T165-R175 CarbonylContact C-O 3.56Å; T165-R175 WeakPolarHBondContact CA-O 3.35Å; T165-R175 WeakPolarHBondContact CB-O 3.4Å; Y166-R175 HydrophobicContact CD1-CB 4.31Å; Y166-R175 HydrophobicContact CD2-CB 4.47Å; Y166-R175 HydrophobicContact CE1-CB 3.73Å; Y166-R175 HydrophobicContact CE2-CB 3.98Å; Y166-R175 HydrophobicContact CE2-CG 4.43Å; Y166-R175 PolarHBondContact N-O 2.94Å; Y166-R175 PolarHBondContact O-N 3.37Å; R175-D177 PolarHBondContact O-N 2.84Å; R175-H229 WeakPolarHBondContact CA-O 3.48Å; R175-Q230 HydrophobicContact CG-CB 4.08Å
176	R	93.2	Very high	93.5	Very high	102 Å²	102	64.9 Å²	64.9	39%	0.385	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	132.1	174.4	-176.2	172.9	-174.4	171.3	7.9	109.9	T163 H229	T163-R176 HydrophobicContact CG2-CG 3.85Å; R176-H229 PolarHBondContact N-O 3.26Å
177	D	92.2	Very high	93.5	Very high	5 Å²	5	64.5 Å²	64.5	3%	0.027	30%	0.297	C	S	.	.			trans	-77.1	145.7	175.4	-153.1	-46.7	0	0	0	111.3	D164 Y166 R175 Q179 Q180 L204	D164-D177 HydrophobicContact CB-CB 4.35Å; D164-D177 WeakPolarHBondContact O-CB 3.48Å; D164-D177 PolarHBondContact O-N 2.91Å; Y166-D177 HydrophobicContact CD1-CB 4.26Å; R175-D177 PolarHBondContact O-N 2.84Å; D177-Q179 CarbonylContact C-O 3.57Å; D177-Q179 VanDerWaalsContact CB-O 3.22Å; D177-Q179 WeakPolarHBondContact CB-O 3.42Å; D177-Q179 PolarHBondContact OD1-N 2.99Å; D177-Q180 PolarHBondContact O-NE2 2.77Å; D177-L204 VanDerWaalsContact OD2-CB 3.25Å; D177-L204 WeakPolarHBondContact OD2-CB 3.47Å
178	Y	89.7	Confident	93.3	Very high	190 Å²	190	66.9 Å²	66.9	75%	0.745	31%	0.31	S	S	*	.	S	Bend	trans	-78.1	-32.1	173.4	-68.8	-75	0	0	0	112.1
179	Q	91.7	Very high	93	Very high	88 Å²	88	69.8 Å²	69.8	41%	0.411	32%	0.323	S	S	.	.	S	Bend	trans	-91.8	148.3	166.7	-46.4	-170.9	-135.2	0	0	107.8	D177 D181 D202	D177-Q179 CarbonylContact C-O 3.57Å; D177-Q179 VanDerWaalsContact CB-O 3.22Å; D177-Q179 WeakPolarHBondContact CB-O 3.42Å; D177-Q179 PolarHBondContact OD1-N 2.99Å; Q179-D181 WeakPolarHBondContact CB-OD2 3.37Å; Q179-D202 WeakPolarHBondContact CB-OD2 3.43Å; Q179-D202 WeakPolarHBondContact CG-OD2 3.25Å; Q179-D202 PolarHBondContact OE1-OD2 2.92Å
180	Q	93.9	Very high	93	Very high	75 Å²	75	71.8 Å²	71.8	35%	0.35	32%	0.323	S	S	.	.			trans	-129.6	98.9	-175.8	-65.7	-72.3	-74.2	0	0	106.5	D164 D177	D164-Q180 HydrophobicContact CB-CB 4.38Å; D164-Q180 PolarHBondContact O-NE2 2.97Å; D177-Q180 PolarHBondContact O-NE2 2.77Å
181	D	95	Very high	93.1	Very high	16 Å²	16	67.7 Å²	67.7	9%	0.086	30%	0.301	C	S	.	.			trans	-109.1	-6.5	-167.5	-74.4	-83.7	0	0	0	112.7	D164 Q179 E183 T200	D164-D181 WeakPolarHBondContact OD2-CA 3.04Å; D164-D181 PolarHBondContact OD2-N 3.32Å; Q179-D181 WeakPolarHBondContact CB-OD2 3.37Å; D181-E183 PolarHBondContact O-N 3.29Å; D181-T200 HydrophobicContact CB-CG2 3.55Å
182	C	96.6	Very high	93.3	Very high	7 Å²	7	67.3 Å²	67.3	5%	0.047	30%	0.298	C	S	.	.			trans	-79.1	85.9	166.3	-50.8	0	0	0	0	112	C150 V162 D164 V184	C150-C182 HydrophobicContact CB-CB 3.74Å; C150-C182 WeakPolarHBondContact CB-SG 3.15Å; C150-C182 WeakPolarHBondContact SG-CB 3.23Å; C150-C182 CovalentContact SG-SG 2.02Å; C150-C182 PolarHBondContact SG-SG 2.97Å; V162-C182 HydrophobicContact CG2-CB 3.95Å; D164-C182 PolarHBondContact OD1-SG 2.94Å; D164-C182 VanDerWaalsContact OD1-SG 3.42Å; D164-C182 PolarHBondContact OD2-N 3.37Å; D164-C182 PolarHBondContact OD2-SG 3.25Å; C182-V184 PolarHBondContact O-N 3.09Å
183	E	95.9	Very high	93.4	Very high	84 Å²	84	62 Å²	62	39%	0.393	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	99.6	-177.1	-67.1	-177.6	-158.5	0	0	112.9	D181 F194 R195	D181-E183 PolarHBondContact O-N 3.29Å; E183-F194 CarbonylContact O-C 3.49Å; E183-F194 WeakPolarHBondContact O-CA 3.24Å; E183-F194 WeakPolarHBondContact O-CB 3.49Å; E183-R195 HydrophobicContact CB-CG 3.79Å; E183-R195 PolarHBondContact N-O 2.81Å; E183-R195 PolarHBondContact O-N 2.78Å; E183-R195 IonicContact OE2-CZ 2.74Å; E183-R195 IonicContact OE2-NE 2.84Å; E183-R195 PolarHBondContact OE2-NE 2.03Å; E183-R195 IonicContact OE2-NH2 3.52Å
184	V	95	Very high	93.5	Very high	47 Å²	47	56.7 Å²	56.7	29%	0.285	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	135.6	174.3	175.7	0	0	0	0	111.7	F152 V162 C182 M187 L192 F194	F152-V184 HydrophobicContact CD1-CG2 3.84Å; F152-V184 HydrophobicContact CE1-CG2 3.55Å; V162-V184 HydrophobicContact CB-CG2 3.67Å; V162-V184 HydrophobicContact CG1-CB 4.24Å; V162-V184 HydrophobicContact CG1-CG2 3.81Å; V162-V184 HydrophobicContact CG2-CG2 3.81Å; C182-V184 PolarHBondContact O-N 3.09Å; V184-M187 HydrophobicContact CG1-CB 4.05Å; V184-L192 HydrophobicContact CG2-CD1 4.31Å; V184-F194 HydrophobicContact CB-CB 4.47Å; V184-F194 HydrophobicContact CG2-CB 3.93Å
185	F	92.5	Very high	93.6	Very high	108 Å²	108	60.6 Å²	60.6	47%	0.474	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	-10.2	171.1	57.6	-95.5	0	0	0	113.9	A193 F194 R195	F185-A193 HydrophobicContact CD2-CB 4.14Å; F185-A193 HydrophobicContact CE1-CB 4.42Å; F185-A193 HydrophobicContact CE2-CB 3.46Å; F185-A193 VanDerWaalsContact CE2-CB 3.46Å; F185-A193 HydrophobicContact CZ-CB 3.63Å; F185-A193 PolarHBondContact N-O 2.92Å; F185-F194 VanDerWaalsContact CE1-C 3.49Å; F185-R195 HydrophobicContact CE1-CB 4.31Å
186	K	93.1	Very high	93.8	Very high	111 Å²	111	57.3 Å²	57.3	48%	0.483	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	131.1	167.7	-168.1	-179.8	-179.3	-161.7	0	110.6	D188 T191 L192 A193	K186-D188 VanDerWaalsContact CE-OD2 3.31Å; K186-D188 WeakPolarHBondContact CE-OD2 3.16Å; K186-D188 IonicContact NZ-OD2 2.78Å; K186-T191 HydrophobicContact CD-CG2 3.6Å; K186-T191 VanDerWaalsContact CE-CG2 3.49Å; K186-T191 HydrophobicContact CG-CG2 3.78Å; K186-L192 CarbonylContact O-C 3.55Å; K186-A193 HydrophobicContact CB-CB 4.09Å; K186-A193 PolarHBondContact N-O 2.75Å; K186-A193 PolarHBondContact O-N 3.47Å
187	M	94.2	Very high	93.9	Very high	22 Å²	22	56.9 Å²	56.9	11%	0.108	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	128.4	172.1	-163.1	168.1	64.7	0	0	109.3	F127 F152 F159 V184 T191 L192	F127-M187 HydrophobicContact CE2-CG 4.32Å; F127-M187 HydrophobicContact CE2-SD 4.23Å; F127-M187 HydrophobicContact CZ-SD 4.43Å; F152-M187 HydrophobicContact CB-SD 3.82Å; F152-M187 HydrophobicContact CD1-SD 4.07Å; F152-M187 HydrophobicContact CG-SD 4.36Å; F159-M187 HydrophobicContact CB-CB 4.14Å; F159-M187 HydrophobicContact CB-CE 4.05Å; F159-M187 HydrophobicContact CB-CG 3.95Å; F159-M187 WeakPolarHBondContact CB-O 3.46Å; F159-M187 HydrophobicContact CD1-CG 4.27Å; F159-M187 WeakPolarHBondContact O-CE 3.31Å; V184-M187 HydrophobicContact CG1-CB 4.05Å; M187-T191 CarbonylContact C-O 3.53Å; M187-T191 VanDerWaalsContact CA-O 3.29Å; M187-T191 WeakPolarHBondContact CA-O 3.43Å; M187-L192 HydrophobicContact CB-CD1 4.31Å; M187-L192 HydrophobicContact CG-CB 4.37Å; M187-L192 HydrophobicContact CG-CD1 3.86Å; M187-L192 HydrophobicContact SD-CD1 3.72Å
188	D	91.5	Very high	94.1	Very high	49 Å²	49	57.3 Å²	57.3	26%	0.262	26%	0.259	S	S	.	.			trans	-151.8	-176.9	174.5	62.5	50.2	0	0	0	109.3	K186 F190 T191	K186-D188 VanDerWaalsContact CE-OD2 3.31Å; K186-D188 WeakPolarHBondContact CE-OD2 3.16Å; K186-D188 IonicContact NZ-OD2 2.78Å; D188-F190 PolarHBondContact O-N 2.86Å; D188-F190 VanDerWaalsContact O-N 3.16Å; D188-F190 PolarHBondContact OD1-N 3.31Å; D188-T191 PolarHBondContact N-O 2.95Å; D188-T191 PolarHBondContact O-N 2.78Å; D188-T191 VanDerWaalsContact O-O 3.09Å; D188-T191 WeakPolarHBondContact OD1-CG2 3.35Å; D188-T191 PolarHBondContact OD1-N 2.8Å; D188-T191 WeakPolarHBondContact OD2-CG2 3.15Å
189	E	87.7	Confident	94.2	Very high	64 Å²	64	50.4 Å²	50.4	30%	0.299	24%	0.235	S	C	.	.	S	Bend	trans	-55.5	-32.6	-177.9	-173.7	179.1	-176.4	0	0	113.7	E129 F159	E129-E189 WeakPolarHBondContact CG-OE1 3.46Å; F159-E189 HydrophobicContact CE2-CB 4.2Å; F159-E189 HydrophobicContact CZ-CB 3.93Å
190	F	90.1	Very high	94.2	Very high	131 Å²	131	46.8 Å²	46.8	58%	0.575	22%	0.218	S	C	*	.	S	Bend	trans	-104.1	-20.5	-175.1	-58	-72.4	0	0	0	113.1	Q124 N125 D188	Q124-F190 WeakPolarHBondContact CA-O 3.49Å; N125-F190 PolarHBondContact N-O 2.78Å; D188-F190 PolarHBondContact O-N 2.86Å; D188-F190 VanDerWaalsContact O-N 3.16Å; D188-F190 PolarHBondContact OD1-N 3.31Å
191	T	93.7	Very high	93.9	Very high	12 Å²	12	45.1 Å²	45.1	7%	0.074	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.8	-168.4	-152.2	0	0	0	0	112.7	H122 L123 K186 M187 D188	H122-T191 PolarHBondContact CD2-OG1 2.79Å; H122-T191 VanDerWaalsContact CD2-OG1 3.27Å; H122-T191 PolarHBondContact NE2-OG1 2.86Å; L123-T191 WeakPolarHBondContact O-CA 3.22Å; K186-T191 HydrophobicContact CD-CG2 3.6Å; K186-T191 VanDerWaalsContact CE-CG2 3.49Å; K186-T191 HydrophobicContact CG-CG2 3.78Å; M187-T191 CarbonylContact C-O 3.53Å; M187-T191 VanDerWaalsContact CA-O 3.29Å; M187-T191 WeakPolarHBondContact CA-O 3.43Å; D188-T191 PolarHBondContact N-O 2.95Å; D188-T191 PolarHBondContact O-N 2.78Å; D188-T191 VanDerWaalsContact O-O 3.09Å; D188-T191 WeakPolarHBondContact OD1-CG2 3.35Å; D188-T191 PolarHBondContact OD1-N 2.8Å; D188-T191 WeakPolarHBondContact OD2-CG2 3.15Å
192	L	96.2	Very high	93.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	123.7	167.9	161	61.4	0	0	0	108.3	H122 L123 A126 F134 F152 V184 K186 M187	H122-L192 CarbonylContact C-O 3.59Å; H122-L192 WeakPolarHBondContact CA-O 3.48Å; L123-L192 HydrophobicContact CB-CB 4.13Å; L123-L192 HydrophobicContact CB-CG 4.47Å; L123-L192 HydrophobicContact CD1-CD2 3.64Å; L123-L192 HydrophobicContact CD1-CG 4.14Å; L123-L192 PolarHBondContact N-O 3.27Å; L123-L192 PolarHBondContact O-N 2.76Å; A126-L192 HydrophobicContact CB-CB 4.44Å; A126-L192 HydrophobicContact CB-CD2 4.46Å; F134-L192 HydrophobicContact CD1-CD2 4.13Å; F152-L192 HydrophobicContact CB-CD2 4.01Å; F152-L192 HydrophobicContact CD1-CD1 3.43Å; F152-L192 VanDerWaalsContact CD1-CD1 3.43Å; F152-L192 HydrophobicContact CD1-CD2 3.8Å; F152-L192 HydrophobicContact CD1-CG 4.24Å; F152-L192 HydrophobicContact CD2-CD2 3.43Å; F152-L192 VanDerWaalsContact CD2-CD2 3.43Å; F152-L192 HydrophobicContact CE1-CD1 3.61Å; F152-L192 HydrophobicContact CE1-CD2 4.09Å; F152-L192 HydrophobicContact CE1-CG 4.36Å; F152-L192 HydrophobicContact CE2-CD2 3.73Å; F152-L192 HydrophobicContact CG-CD1 3.96Å; F152-L192 HydrophobicContact CG-CD2 3.45Å; F152-L192 VanDerWaalsContact CG-CD2 3.45Å; F152-L192 HydrophobicContact CG-CG 4.35Å; F152-L192 HydrophobicContact CZ-CD1 4.26Å; F152-L192 HydrophobicContact CZ-CD2 4.04Å; V184-L192 HydrophobicContact CG2-CD1 4.31Å; K186-L192 CarbonylContact O-C 3.55Å; M187-L192 HydrophobicContact CB-CD1 4.31Å; M187-L192 HydrophobicContact CG-CB 4.37Å; M187-L192 HydrophobicContact CG-CD1 3.86Å; M187-L192 HydrophobicContact SD-CD1 3.72Å
193	A	96.5	Very high	93.1	Very high	6 Å²	6	45.7 Å²	45.7	5%	0.05	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.5	179.7	0	0	0	0	0	110.8	F121 F185 K186	F121-A193 VanDerWaalsContact O-CA 3.25Å; F121-A193 WeakPolarHBondContact O-CA 3.43Å; F185-A193 HydrophobicContact CD2-CB 4.14Å; F185-A193 HydrophobicContact CE1-CB 4.42Å; F185-A193 HydrophobicContact CE2-CB 3.46Å; F185-A193 VanDerWaalsContact CE2-CB 3.46Å; F185-A193 HydrophobicContact CZ-CB 3.63Å; F185-A193 PolarHBondContact N-O 2.92Å; K186-A193 HydrophobicContact CB-CB 4.09Å; K186-A193 PolarHBondContact N-O 2.75Å; K186-A193 PolarHBondContact O-N 3.47Å
194	F	97.3	Very high	92.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	168	-178.9	75	-81.6	0	0	0	110.1	F121 L123 L136 F152 E183 V184 F185	F121-F194 HydrophobicContact CB-CD1 3.78Å; F121-F194 HydrophobicContact CB-CE1 3.4Å; F121-F194 HydrophobicContact CB-CE2 4.31Å; F121-F194 HydrophobicContact CB-CG 4.38Å; F121-F194 HydrophobicContact CB-CZ 3.69Å; F121-F194 HydrophobicContact CD1-CZ 4.44Å; F121-F194 HydrophobicContact CD2-CD2 4.06Å; F121-F194 HydrophobicContact CD2-CE1 4.12Å; F121-F194 AromaticContact CD2-CE2 3.47Å; F121-F194 HydrophobicContact CD2-CE2 3.47Å; F121-F194 VanDerWaalsContact CD2-CE2 3.47Å; F121-F194 AromaticContact CD2-CZ 3.5Å; F121-F194 HydrophobicContact CD2-CZ 3.5Å; F121-F194 VanDerWaalsContact CD2-CZ 3.5Å; F121-F194 HydrophobicContact CE2-CE2 4.03Å; F121-F194 HydrophobicContact CE2-CZ 4.2Å; F121-F194 AromaticContact CG-CE1 3.9Å; F121-F194 HydrophobicContact CG-CE1 3.9Å; F121-F194 HydrophobicContact CG-CE2 4.1Å; F121-F194 AromaticContact CG-CZ 3.63Å; F121-F194 HydrophobicContact CG-CZ 3.63Å; F121-F194 PolarHBondContact N-O 2.79Å; F121-F194 PolarHBondContact O-N 2.96Å; F121-F194 VanDerWaalsContact O-N 3.09Å; L123-F194 HydrophobicContact CD1-CE1 4.45Å; L136-F194 HydrophobicContact CD2-CE1 4.02Å; L136-F194 HydrophobicContact CD2-CZ 3.71Å; F152-F194 HydrophobicContact CE1-CB 4.35Å; F152-F194 HydrophobicContact CE1-CD1 4.06Å; F152-F194 HydrophobicContact CE1-CG 4.17Å; F152-F194 HydrophobicContact CE2-CD1 4.5Å; F152-F194 HydrophobicContact CE2-CE1 4.26Å; F152-F194 AromaticContact CZ-CD1 3.59Å; F152-F194 HydrophobicContact CZ-CD1 3.59Å; F152-F194 HydrophobicContact CZ-CD2 4.3Å; F152-F194 AromaticContact CZ-CE1 3.68Å; F152-F194 HydrophobicContact CZ-CE1 3.68Å; F152-F194 HydrophobicContact CZ-CE2 4.38Å; F152-F194 AromaticContact CZ-CG 3.92Å; F152-F194 HydrophobicContact CZ-CG 3.92Å; F152-F194 HydrophobicContact CZ-CZ 4.09Å; E183-F194 CarbonylContact O-C 3.49Å; E183-F194 WeakPolarHBondContact O-CA 3.24Å; E183-F194 WeakPolarHBondContact O-CB 3.49Å; V184-F194 HydrophobicContact CB-CB 4.47Å; V184-F194 HydrophobicContact CG2-CB 3.93Å; F185-F194 VanDerWaalsContact CE1-C 3.49Å
195	R	96.9	Very high	92.6	Very high	81 Å²	81	40.2 Å²	40.2	31%	0.306	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	162	174.1	64.9	175.5	151.4	-149.3	-18.1	110.8	E118 V119 L120 E183 F185	E118-R195 WeakPolarHBondContact OE2-CD 3.37Å; E118-R195 IonicContact OE2-NH1 3.56Å; V119-R195 CarbonylContact O-C 3.59Å; V119-R195 WeakPolarHBondContact O-CA 3.32Å; V119-R195 WeakPolarHBondContact O-CB 3.43Å; L120-R195 HydrophobicContact CG-CB 4.26Å; E183-R195 HydrophobicContact CB-CG 3.79Å; E183-R195 PolarHBondContact N-O 2.81Å; E183-R195 PolarHBondContact O-N 2.78Å; E183-R195 IonicContact OE2-CZ 2.74Å; E183-R195 IonicContact OE2-NE 2.84Å; E183-R195 PolarHBondContact OE2-NE 2.03Å; E183-R195 IonicContact OE2-NH2 3.52Å; F185-R195 HydrophobicContact CE1-CB 4.31Å
196	R	97	Very high	92.6	Very high	5 Å²	5	35.2 Å²	35.2	2%	0.019	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	147.1	177.5	-174.6	-179.5	144.2	138.8	-13.5	110.6	E118 V119 F121 D148 T200 L206	E118-R196 CarbonylContact C-O 3.59Å; E118-R196 VanDerWaalsContact CA-O 3.29Å; E118-R196 WeakPolarHBondContact CA-O 3.24Å; V119-R196 PolarHBondContact N-O 3.04Å; V119-R196 PolarHBondContact O-N 2.81Å; F121-R196 HydrophobicContact CE2-CB 4.23Å; D148-R196 IonicContact OD1-CZ 3.56Å; D148-R196 IonicContact OD1-NH1 3.67Å; D148-R196 PolarHBondContact OD1-NH1 3.01Å; D148-R196 IonicContact OD2-CZ 3.98Å; D148-R196 IonicContact OD2-NH1 3.57Å; D148-R196 PolarHBondContact OD2-NH1 3.27Å; D148-R196 IonicContact OD2-NH2 3.43Å; D148-R196 PolarHBondContact OD2-NH2 2.77Å; R196-T200 HydrophobicContact CG-CG2 4.09Å; R196-L206 PolarHBondContact NH2-O 3.17Å
197	K	96.1	Very high	92.5	Very high	93 Å²	93	34 Å²	34	40%	0.404	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	158.4	175.6	-65.7	174.1	-169	144.9	0	111.4	Q117 D199 T200	Q117-K197 CarbonylContact O-C 3.51Å; Q117-K197 WeakPolarHBondContact O-CA 3.45Å; K197-D199 VanDerWaalsContact C-N 3.25Å; K197-D199 WeakPolarHBondContact CB-O 3.41Å; K197-T200 HydrophobicContact CB-CG2 4.43Å
198	F	94.7	Very high	92.5	Very high	15 Å²	15	33 Å²	33	7%	0.066	16%	0.156	C	C	.	.	S	Bend	trans	-63.3	-40.4	171.1	-63.1	-1	0	0	0	110.7	V112 W114 Q117 E118 V119 R207 L208 L250	V112-F198 HydrophobicContact CG1-CE1 3.8Å; V112-F198 HydrophobicContact CG1-CE2 4.47Å; V112-F198 HydrophobicContact CG1-CZ 3.39Å; W114-F198 HydrophobicContact CD2-CZ 4.5Å; W114-F198 AromaticContact CE3-CE2 3.87Å; W114-F198 HydrophobicContact CE3-CE2 3.87Å; W114-F198 HydrophobicContact CE3-CZ 4.29Å; W114-F198 HydrophobicContact CZ3-CE2 4.11Å; Q117-F198 VanDerWaalsContact C-CE1 3.45Å; Q117-F198 HydrophobicContact CB-CB 4.37Å; Q117-F198 HydrophobicContact CB-CD1 4.49Å; Q117-F198 HydrophobicContact CB-CD2 3.69Å; Q117-F198 HydrophobicContact CB-CE2 4Å; Q117-F198 HydrophobicContact CB-CG 3.94Å; Q117-F198 HydrophobicContact CB-CZ 4.49Å; Q117-F198 HydrophobicContact CG-CD2 4.15Å; Q117-F198 HydrophobicContact CG-CE2 4.25Å; Q117-F198 VanDerWaalsContact O-CD1 3.29Å; Q117-F198 WeakPolarHBondContact O-CD1 3.32Å; Q117-F198 WeakPolarHBondContact O-CG 3.12Å; Q117-F198 PolarHBondContact O-N 2.84Å; E118-F198 WeakPolarHBondContact O-CE1 3.28Å; V119-F198 HydrophobicContact CG2-CD1 3.89Å; V119-F198 HydrophobicContact CG2-CE1 3.67Å; F198-R207 WeakPolarHBondContact O-CG 3.37Å; F198-L208 PolarHBondContact O-N 3.07Å; F198-L250 HydrophobicContact CB-CD1 4.44Å; F198-L250 HydrophobicContact CD1-CD1 4.25Å; F198-L250 HydrophobicContact CD1-CD2 3.57Å; F198-L250 HydrophobicContact CD2-CD1 3.79Å; F198-L250 HydrophobicContact CD2-CD2 4.39Å; F198-L250 HydrophobicContact CE1-CD2 3.4Å; F198-L250 HydrophobicContact CE2-CD1 4.06Å; F198-L250 HydrophobicContact CE2-CD2 4.24Å; F198-L250 HydrophobicContact CG-CD1 3.91Å; F198-L250 HydrophobicContact CG-CD2 4.1Å; F198-L250 HydrophobicContact CZ-CD1 4.43Å; F198-L250 HydrophobicContact CZ-CD2 3.78Å
199	D	92.4	Very high	92.5	Very high	45 Å²	45	32.1 Å²	32.1	24%	0.241	15%	0.151	C	C	.	.			trans	-130.9	110.6	176.7	-172.8	-14	0	0	0	106.6	K197 C201 R207	K197-D199 VanDerWaalsContact C-N 3.25Å; K197-D199 WeakPolarHBondContact CB-O 3.41Å; D199-C201 PolarHBondContact OD1-N 2.74Å; D199-R207 HydrophobicContact CB-CG 4.08Å; D199-R207 IonicContact OD2-NE 3.49Å
200	T	92.2	Very high	92.7	Very high	11 Å²	11	31.9 Å²	31.9	7%	0.067	15%	0.149	C	C	.	.			trans	-78.2	-12	179.8	56.8	0	0	0	0	111.4	D181 R196 K197 D202 D205	D181-T200 HydrophobicContact CB-CG2 3.55Å; R196-T200 HydrophobicContact CG-CG2 4.09Å; K197-T200 HydrophobicContact CB-CG2 4.43Å; T200-D202 PolarHBondContact O-N 3.24Å; T200-D202 PolarHBondContact OG1-N 2.89Å; T200-D205 WeakPolarHBondContact CB-OD2 3.29Å; T200-D205 HydrophobicContact CG2-CB 4.48Å; T200-D205 VanDerWaalsContact CG2-OD2 3.26Å; T200-D205 WeakPolarHBondContact CG2-OD2 3.26Å; T200-D205 VanDerWaalsContact OG1-CB 3.24Å; T200-D205 WeakPolarHBondContact OG1-CB 3.33Å; T200-D205 PolarHBondContact OG1-OD2 2.97Å
201	C	87.7	Confident	92.8	Very high	41 Å²	41	25.8 Å²	25.8	28%	0.277	12%	0.123	S	C	.	.	S	Bend	trans	61.5	17.4	-169.4	-63.7	0	0	0	0	114.4	D199 C646	D199-C201 PolarHBondContact OD1-N 2.74Å; C201-C646 WeakPolarHBondContact CA-SG 3.23Å; C201-C646 HydrophobicContact CB-CB 3.63Å; C201-C646 WeakPolarHBondContact CB-SG 3.48Å; C201-C646 WeakPolarHBondContact SG-CA 3.47Å; C201-C646 WeakPolarHBondContact SG-CB 3.42Å; C201-C646 CovalentContact SG-SG 2.04Å; C201-C646 PolarHBondContact SG-SG 3.31Å
202	D	89	Confident	92.8	Very high	10 Å²	10	25.2 Å²	25.2	5%	0.053	12%	0.12	C	C	.	.			trans	-95.8	124	167.7	-161.2	-38	0	0	0	109.7	Q179 T200 L204 D205	Q179-D202 WeakPolarHBondContact CB-OD2 3.43Å; Q179-D202 WeakPolarHBondContact CG-OD2 3.25Å; Q179-D202 PolarHBondContact OE1-OD2 2.92Å; T200-D202 PolarHBondContact O-N 3.24Å; T200-D202 PolarHBondContact OG1-N 2.89Å; D202-L204 PolarHBondContact O-N 2.98Å; D202-L204 VanDerWaalsContact OD1-CB 3.3Å; D202-L204 WeakPolarHBondContact OD1-CB 3.34Å; D202-L204 PolarHBondContact OD1-N 3.34Å; D202-D205 HydrophobicContact CB-CB 4.22Å; D202-D205 PolarHBondContact O-N 3.31Å
203	P	84.7	Confident	92.7	Very high	25 Å²	25	25.2 Å²	25.2	16%	0.162	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-22	171.5	26.7	-36.2	0	0	0	113.8	D205 L654 P656 L657	P203-D205 VanDerWaalsContact C-N 3.26Å; P203-L654 HydrophobicContact CG-CB 3.89Å; P203-L654 HydrophobicContact CG-CD1 4.16Å; P203-P656 HydrophobicContact CB-CB 4.3Å; P203-P656 HydrophobicContact CB-CG 4.26Å; P203-P656 CarbonylContact O-C 3.44Å; P203-P656 WeakPolarHBondContact O-CA 3.45Å; P203-L657 PolarHBondContact O-N 2.99Å
204	L	89.4	Confident	92.7	Very high	8 Å²	8	26 Å²	26	4%	0.042	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	2.2	179.3	-60.9	173.4	0	0	0	113.4	Y166 D177 D202 L654 L657	Y166-L204 HydrophobicContact CD1-CB 4.12Å; Y166-L204 HydrophobicContact CD1-CD1 4.03Å; Y166-L204 HydrophobicContact CD1-CG 4.49Å; Y166-L204 HydrophobicContact CD2-CD2 4.22Å; Y166-L204 HydrophobicContact CE1-CD1 3.59Å; Y166-L204 HydrophobicContact CE1-CD2 4.48Å; Y166-L204 HydrophobicContact CE1-CG 4.41Å; Y166-L204 HydrophobicContact CE2-CD1 4.48Å; Y166-L204 HydrophobicContact CE2-CD2 3.98Å; Y166-L204 HydrophobicContact CG-CB 4.29Å; D177-L204 VanDerWaalsContact OD2-CB 3.25Å; D177-L204 WeakPolarHBondContact OD2-CB 3.47Å; D202-L204 PolarHBondContact O-N 2.98Å; D202-L204 VanDerWaalsContact OD1-CB 3.3Å; D202-L204 WeakPolarHBondContact OD1-CB 3.34Å; D202-L204 PolarHBondContact OD1-N 3.34Å; L204-L654 HydrophobicContact CD1-CD1 3.71Å; L204-L654 HydrophobicContact CD1-CD2 4.32Å; L204-L654 HydrophobicContact CD2-CB 4.5Å; L204-L654 HydrophobicContact CD2-CD2 4.47Å; L204-L654 HydrophobicContact CG-CD1 4.02Å; L204-L657 WeakPolarHBondContact O-CD1 3.35Å; L204-L657 VanDerWaalsContact O-CG 3.24Å; L204-L657 WeakPolarHBondContact O-CG 3.47Å
205	D	92	Very high	92.6	Very high	7 Å²	7	26 Å²	26	4%	0.037	12%	0.121	C	C	.	.	S	Bend	trans	-107.4	151.3	173	-71.3	-16.8	0	0	0	112.1	D148 T200 D202 P203	D148-D205 VanDerWaalsContact OD2-CA 3.26Å; D148-D205 WeakPolarHBondContact OD2-CA 3.27Å; D148-D205 WeakPolarHBondContact OD2-CB 3.41Å; T200-D205 WeakPolarHBondContact CB-OD2 3.29Å; T200-D205 HydrophobicContact CG2-CB 4.48Å; T200-D205 VanDerWaalsContact CG2-OD2 3.26Å; T200-D205 WeakPolarHBondContact CG2-OD2 3.26Å; T200-D205 VanDerWaalsContact OG1-CB 3.24Å; T200-D205 WeakPolarHBondContact OG1-CB 3.33Å; T200-D205 PolarHBondContact OG1-OD2 2.97Å; D202-D205 HydrophobicContact CB-CB 4.22Å; D202-D205 PolarHBondContact O-N 3.31Å; P203-D205 VanDerWaalsContact C-N 3.26Å
206	L	91.9	Very high	92.6	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.016	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-84.7	124.8	171.9	-173.7	64.9	0	0	0	110.5	F138 K140 D148 R196 L208 M213 E658	F138-L206 HydrophobicContact CB-CB 4.31Å; F138-L206 HydrophobicContact CB-CD2 3.89Å; K140-L206 HydrophobicContact CG-CD1 4.12Å; D148-L206 HydrophobicContact CB-CB 4.18Å; D148-L206 PolarHBondContact OD2-N 2.93Å; R196-L206 PolarHBondContact NH2-O 3.17Å; L206-L208 PolarHBondContact O-N 3.01Å; L206-M213 HydrophobicContact CD2-CE 3.85Å; L206-M213 HydrophobicContact CG-CE 4.34Å; L206-E658 HydrophobicContact CD1-CG 3.68Å
207	R	91.1	Very high	92.6	Very high	86 Å²	86	22 Å²	22	33%	0.325	11%	0.107	S	C	.	.	P	Polyproline II helix	trans	-69.9	133.1	179.5	-165.3	178.9	168.6	-138.2	-7.5	110.2	F198 D199 H209 H642 E658	F198-R207 WeakPolarHBondContact O-CG 3.37Å; D199-R207 HydrophobicContact CB-CG 4.08Å; D199-R207 IonicContact OD2-NE 3.49Å; R207-H209 PolarHBondContact O-N 3.39Å; R207-H642 PolarHBondContact NH1-CE1 3.39Å; R207-H642 PolarHBondContact NH1-ND1 3.35Å; R207-E658 WeakPolarHBondContact CA-OE1 3.03Å; R207-E658 WeakPolarHBondContact CB-OE1 3.21Å; R207-E658 PolarHBondContact N-OE1 2.97Å
208	L	94.1	Very high	92.6	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-73.3	130.4	172.9	-49.4	-176.6	0	0	0	109	V119 F121 F138 F198 L206 M213 L249 L250	V119-L208 HydrophobicContact CB-CD1 4.14Å; V119-L208 HydrophobicContact CG2-CD1 3.63Å; F121-L208 HydrophobicContact CZ-CD1 4.45Å; F138-L208 HydrophobicContact CD1-CD2 4.11Å; F138-L208 HydrophobicContact CE1-CD2 4.26Å; F138-L208 HydrophobicContact CG-CD2 4.24Å; F198-L208 PolarHBondContact O-N 3.07Å; L206-L208 PolarHBondContact O-N 3.01Å; L208-M213 HydrophobicContact CD2-CE 3.77Å; L208-L249 HydrophobicContact CD2-CD1 3.91Å; L208-L250 HydrophobicContact CB-CD1 4.36Å; L208-L250 HydrophobicContact CB-CD2 4.25Å; L208-L250 HydrophobicContact CB-CG 4.25Å; L208-L250 WeakPolarHBondContact O-CD1 3.37Å
209	H	91.7	Very high	92.7	Very high	30 Å²	30	17.4 Å²	17.4	14%	0.139	9%	0.086	C	C	.	.			trans	-132.6	171.2	-176.9	59.3	58.9	0	0	0	112.9	R207 G211 T212 M213 Y488	R207-H209 PolarHBondContact O-N 3.39Å; H209-G211 VanDerWaalsContact C-N 3.27Å; H209-G211 VanDerWaalsContact ND1-CA 3.26Å; H209-G211 WeakPolarHBondContact ND1-CA 3.38Å; H209-G211 PolarHBondContact ND1-N 3Å; H209-G211 PolarHBondContact O-N 3.02Å; H209-T212 PolarHBondContact CE1-O 2.78Å; H209-T212 VanDerWaalsContact CE1-O 3.27Å; H209-M213 VanDerWaalsContact CD2-SD 3.55Å; H209-M213 PolarHBondContact CE1-SD 3.47Å; H209-M213 PolarHBondContact NE2-SD 2.86Å; H209-Y488 AromaticContact CD2-CE2 3.8Å; H209-Y488 AromaticContact CE1-CD2 3.72Å; H209-Y488 AromaticContact NE2-CD2 3.08Å; H209-Y488 WeakPolarHBondContact NE2-CD2 3.49Å; H209-Y488 AromaticContact NE2-CE2 3.14Å; H209-Y488 WeakPolarHBondContact NE2-CE2 3.17Å
210	E	92.4	Very high	92.7	Very high	59 Å²	59	15.8 Å²	15.8	28%	0.276	8%	0.08	S	C	.	.	S	Bend	trans	-77.7	-9.8	179.7	-58.8	-173.4	-140.2	0	0	113.1	W114 Q248 L250 R481 R497	W114-E210 HydrophobicContact CH2-CG 4Å; E210-Q248 WeakPolarHBondContact O-CG 3.42Å; E210-Q248 PolarHBondContact O-NE2 2.92Å; E210-L250 HydrophobicContact CG-CB 4.09Å; E210-R481 IonicContact OE1-NH2 3.6Å; E210-R481 PolarHBondContact OE1-NH2 2.86Å; E210-R481 IonicContact OE2-NH2 3.53Å; E210-R497 PolarHBondContact O-NH1 2.96Å
211	G	92.8	Very high	92.7	Very high	2 Å²	2	20.9 Å²	20.9	2%	0.021	10%	0.103	C	C	.	.	S	Bend	trans	-73.2	-169.4	171.3	0	0	0	0	0	115.1	H209 M213 R485	H209-G211 VanDerWaalsContact C-N 3.27Å; H209-G211 VanDerWaalsContact ND1-CA 3.26Å; H209-G211 WeakPolarHBondContact ND1-CA 3.38Å; H209-G211 PolarHBondContact ND1-N 3Å; H209-G211 PolarHBondContact O-N 3.02Å; G211-M213 PolarHBondContact O-N 2.96Å; G211-R485 WeakPolarHBondContact CA-O 3.47Å
212	T	93.5	Very high	92.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.			trans	-75	119	176.6	-64.2	0	0	0	0	110.2	H209 Y214 M246 D486 F493 R497	H209-T212 PolarHBondContact CE1-O 2.78Å; H209-T212 VanDerWaalsContact CE1-O 3.27Å; T212-Y214 HydrophobicContact CG2-CD2 4.49Å; T212-Y214 HydrophobicContact CG2-CE2 4.09Å; T212-M246 HydrophobicContact CG2-CB 4.05Å; T212-M246 HydrophobicContact CG2-CG 4.29Å; T212-D486 WeakPolarHBondContact CB-OD2 3.4Å; T212-D486 VanDerWaalsContact N-CG 3.32Å; T212-D486 PolarHBondContact N-OD1 3.46Å; T212-D486 PolarHBondContact N-OD2 3.47Å; T212-D486 PolarHBondContact OG1-OD2 2.87Å; T212-F493 HydrophobicContact CG2-CD1 3.62Å; T212-F493 HydrophobicContact CG2-CE1 4.13Å; T212-R497 VanDerWaalsContact N-NH2 3.2Å; T212-R497 PolarHBondContact OG1-NH2 2.8Å
213	M	93.8	Very high	92.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	141.1	174.2	-64	-73.3	-51.1	0	0	109.6	F138 L206 L208 H209 G211 M246 L247 L249	F138-M213 HydrophobicContact CB-CE 4.09Å; F138-M213 HydrophobicContact CD1-CE 4.28Å; F138-M213 HydrophobicContact CG-CE 4.49Å; L206-M213 HydrophobicContact CD2-CE 3.85Å; L206-M213 HydrophobicContact CG-CE 4.34Å; L208-M213 HydrophobicContact CD2-CE 3.77Å; H209-M213 VanDerWaalsContact CD2-SD 3.55Å; H209-M213 PolarHBondContact CE1-SD 3.47Å; H209-M213 PolarHBondContact NE2-SD 2.86Å; G211-M213 PolarHBondContact O-N 2.96Å; M213-M246 WeakPolarHBondContact O-CA 2.99Å; M213-L247 WeakPolarHBondContact CB-O 3.25Å; M213-L247 PolarHBondContact N-O 2.74Å; M213-L247 PolarHBondContact O-N 2.94Å; M213-L249 HydrophobicContact CB-CD1 3.98Å; M213-L249 HydrophobicContact CB-CG 4.12Å; M213-L249 HydrophobicContact CE-CD1 4.18Å; M213-L249 HydrophobicContact CG-CB 4.13Å; M213-L249 HydrophobicContact CG-CD1 3.91Å; M213-L249 HydrophobicContact CG-CG 4.1Å
214	Y	95.5	Very high	92.7	Very high	21 Å²	21	29.5 Å²	29.5	8%	0.082	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	104.8	173.7	-66.9	-107.2	0	0	0	109.4	S139 K140 G142 T212 V244 M246 S490	S139-Y214 PolarHBondContact N-O 3.32Å; S139-Y214 WeakPolarHBondContact O-CB 3.1Å; S139-Y214 WeakPolarHBondContact OG-CB 3.42Å; S139-Y214 PolarHBondContact OG-O 2.84Å; K140-Y214 WeakPolarHBondContact O-CD2 3.47Å; K140-Y214 VanDerWaalsContact O-CE2 3.25Å; K140-Y214 WeakPolarHBondContact O-CE2 3.46Å; G142-Y214 VanDerWaalsContact N-CD1 3.29Å; G142-Y214 VanDerWaalsContact N-CG 3.33Å; T212-Y214 HydrophobicContact CG2-CD2 4.49Å; T212-Y214 HydrophobicContact CG2-CE2 4.09Å; Y214-V244 HydrophobicContact CD1-CG1 4.08Å; Y214-M246 HydrophobicContact CD1-CG 3.56Å; Y214-M246 HydrophobicContact CD1-SD 4.31Å; Y214-M246 HydrophobicContact CE1-CG 3.42Å; Y214-M246 VanDerWaalsContact CE1-CG 3.42Å; Y214-M246 HydrophobicContact CE1-SD 3.54Å; Y214-M246 VanDerWaalsContact CE1-SD 3.54Å; Y214-M246 HydrophobicContact CG-CG 4.26Å; Y214-S490 WeakPolarHBondContact OH-CB 3.39Å
215	V	96.6	Very high	92.2	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	-88.1	113.6	176.5	178.5	0	0	0	0	108.5	L108 L136 G137 F138 V244 K245 L247 L249	L108-V215 HydrophobicContact CD2-CG1 4.43Å; L136-V215 HydrophobicContact CD1-CG1 3.58Å; L136-V215 HydrophobicContact CD2-CG1 4.42Å; L136-V215 HydrophobicContact CG-CG1 3.94Å; G137-V215 CarbonylContact O-C 3.51Å; G137-V215 WeakPolarHBondContact O-CA 3.05Å; F138-V215 HydrophobicContact CD1-CG2 4.31Å; F138-V215 HydrophobicContact CE1-CG2 4.41Å; V215-V244 CarbonylContact O-C 3.6Å; V215-V244 WeakPolarHBondContact O-CA 3.35Å; V215-K245 PolarHBondContact N-O 2.93Å; V215-K245 PolarHBondContact O-N 2.61Å; V215-L247 HydrophobicContact CB-CD2 4.02Å; V215-L247 HydrophobicContact CG2-CD1 4.27Å; V215-L247 HydrophobicContact CG2-CD2 3.72Å; V215-L247 HydrophobicContact CG2-CG 4.08Å; V215-L249 HydrophobicContact CG2-CD1 4.37Å
216	V	96.6	Very high	91.2	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	144.7	174.6	-59.7	0	0	0	0	108.9	Y135 G137 L144 G243 V244	Y135-V216 HydrophobicContact CE2-CB 4.49Å; Y135-V216 HydrophobicContact CE2-CG2 4.18Å; G137-V216 PolarHBondContact N-O 3.38Å; G137-V216 PolarHBondContact O-N 3.07Å; L144-V216 HydrophobicContact CD2-CB 3.95Å; L144-V216 HydrophobicContact CD2-CG1 4.04Å; L144-V216 HydrophobicContact CD2-CG2 3.69Å; V216-G243 WeakPolarHBondContact CA-O 3.22Å; V216-V244 HydrophobicContact CG1-CG1 4.15Å; V216-V244 HydrophobicContact CG1-CG2 3.95Å
217	W	96.9	Very high	90.1	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	151.4	179	68.8	-83.5	0	0	0	110.6	L101 D102 I106 F134 Y135 L136 H240 A242 G243	L101-W217 HydrophobicContact CB-CD2 4.04Å; L101-W217 HydrophobicContact CB-CG 4.19Å; L101-W217 HydrophobicContact CB-CZ2 4.07Å; L101-W217 HydrophobicContact CD1-CB 4.12Å; L101-W217 HydrophobicContact CD1-CD2 4.22Å; L101-W217 HydrophobicContact CD1-CG 3.85Å; L101-W217 HydrophobicContact CG-CG 4.48Å; L101-W217 WeakPolarHBondContact O-CZ2 3.24Å; L101-W217 PolarHBondContact O-NE1 3.08Å; L101-W217 VanDerWaalsContact O-NE1 3.15Å; D102-W217 HydrophobicContact CB-CH2 3.78Å; D102-W217 HydrophobicContact CB-CZ2 3.77Å; I106-W217 HydrophobicContact CD1-CE3 4.04Å; I106-W217 HydrophobicContact CD1-CH2 3.55Å; I106-W217 HydrophobicContact CD1-CZ3 3.27Å; F134-W217 AromaticContact CE2-CE3 3.86Å; F134-W217 HydrophobicContact CE2-CE3 3.86Å; F134-W217 HydrophobicContact CZ-CB 4.05Å; F134-W217 HydrophobicContact CZ-CE3 4.35Å; Y135-W217 VanDerWaalsContact CE2-C 3.48Å; Y135-W217 VanDerWaalsContact O-CA 3.28Å; Y135-W217 WeakPolarHBondContact O-CA 3.15Å; L136-W217 HydrophobicContact CD1-CB 4.13Å; W217-H240 VanDerWaalsContact CH2-O 3.28Å; W217-H240 WeakPolarHBondContact CH2-O 3.19Å; W217-A242 CarbonylContact O-C 3.6Å; W217-A242 VanDerWaalsContact O-CA 3.24Å; W217-A242 WeakPolarHBondContact O-CA 3.06Å; W217-G243 VanDerWaalsContact CD1-O 3.23Å; W217-G243 PolarHBondContact N-O 3.43Å; W217-G243 PolarHBondContact O-N 3.28Å
218	A	96.5	Very high	89.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	165.8	163.6	0	0	0	0	0	111.2	W133 F134 Y135 V236 E241 A242	W133-A218 HydrophobicContact CH2-CB 4.42Å; W133-A218 HydrophobicContact CZ3-CB 4.13Å; F134-A218 CarbonylContact C-O 3.46Å; F134-A218 WeakPolarHBondContact CA-O 3.35Å; Y135-A218 HydrophobicContact CD1-CB 4.02Å; Y135-A218 HydrophobicContact CE1-CB 3.33Å; Y135-A218 HydrophobicContact CE2-CB 4.28Å; Y135-A218 VanDerWaalsContact CZ-CB 3.45Å; Y135-A218 PolarHBondContact N-O 2.92Å; Y135-A218 PolarHBondContact O-N 3.04Å; A218-V236 HydrophobicContact CB-CB 4.32Å; A218-V236 HydrophobicContact CB-CG2 4.01Å; A218-E241 CarbonylContact C-O 3.57Å; A218-E241 WeakPolarHBondContact CA-O 3.1Å; A218-E241 WeakPolarHBondContact CB-O 3.46Å; A218-A242 HydrophobicContact CB-CB 3.59Å
219	R	95.3	Very high	88.8	Confident	10 Å²	10	47.2 Å²	47.2	4%	0.038	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	161.4	169.2	66.1	-167.9	-176.2	171.8	3.5	110.4	E105 N125 A126 H131 W133 F134 E241	E105-R219 IonicContact OE2-NH2 2.81Å; N125-R219 PolarHBondContact O-NH1 2.74Å; A126-R219 WeakPolarHBondContact O-CD 3.42Å; H131-R219 VanDerWaalsContact CE1-CD 3.46Å; H131-R219 WeakPolarHBondContact CE1-CD 3.24Å; H131-R219 PolarHBondContact CE1-NE 3.07Å; H131-R219 WeakPolarHBondContact ND1-CD 3.45Å; H131-R219 PolarHBondContact NE2-NE 2.6Å; W133-R219 VanDerWaalsContact O-CA 3.23Å; W133-R219 WeakPolarHBondContact O-CA 3.44Å; W133-R219 VanDerWaalsContact O-CB 3.31Å; W133-R219 WeakPolarHBondContact O-CB 3.36Å; F134-R219 HydrophobicContact CB-CB 4.33Å; F134-R219 HydrophobicContact CD2-CB 3.86Å; R219-E241 WeakPolarHBondContact CD-OE2 3.46Å; R219-E241 WeakPolarHBondContact CG-OE2 3.4Å; R219-E241 IonicContact CZ-OE1 2.92Å; R219-E241 IonicContact CZ-OE2 3.07Å; R219-E241 PolarHBondContact N-O 2.95Å; R219-E241 IonicContact NE-OE1 3.89Å; R219-E241 PolarHBondContact NE-OE1 3.47Å; R219-E241 IonicContact NE-OE2 2.62Å; R219-E241 PolarHBondContact NE-OE2 3.23Å; R219-E241 IonicContact NH2-OE1 3.41Å; R219-E241 PolarHBondContact NH2-OE1 2.02Å; R219-E241 IonicContact NH2-OE2 3.83Å
220	G	93.6	Very high	88.7	Confident	11 Å²	11	50.6 Å²	50.6	11%	0.113	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	165.1	-178.5	0	0	0	0	0	114.5	H131 R132 W133	H131-G220 CarbonylContact C-O 3.55Å; H131-G220 WeakPolarHBondContact CA-O 3.48Å; R132-G220 PolarHBondContact N-O 3.3Å; W133-G220 PolarHBondContact N-O 2.9Å; W133-G220 PolarHBondContact O-N 2.83Å
221	E	91.6	Very high	88.7	Confident	119 Å²	119	48.6 Å²	48.6	56%	0.556	25%	0.248	S	C	*	.	S	Bend	trans	-96.4	-18.6	-173.1	-57.3	177.2	-173.4	0	0	112.8	Q130 R132	Q130-E221 HydrophobicContact CB-CG 4.31Å; R132-E221 WeakPolarHBondContact CD-O 3.34Å; R132-E221 VanDerWaalsContact CG-O 3.31Å; R132-E221 WeakPolarHBondContact CG-O 3.4Å
222	T	89.5	Confident	88.6	Confident	90 Å²	90	51.3 Å²	51.3	55%	0.552	27%	0.27	S	S	*	.	S	Bend	trans	-78.2	145.4	-176.8	57	0	0	0	0	111.3	W133	W133-T222 PolarHBondContact NE1-O 2.91Å
223	E	86.7	Confident	88.5	Confident	148 Å²	148	52.9 Å²	52.9	69%	0.692	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-66.7	137	169.9	-156.6	163.5	155.5	0	0	110.7	R132	R132-E223 IonicContact CZ-OE2 3.94Å; R132-E223 IonicContact NH1-OE2 2.79Å; R132-E223 PolarHBondContact NH1-OE2 2.03Å
224	L	86	Confident	88.4	Confident	19 Å²	19	53.9 Å²	53.9	10%	0.099	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-97.6	138.3	174.3	-60	-178.3	0	0	0	109.4	W133 F151 L226 F231 P234	W133-L224 HydrophobicContact CB-CD1 4Å; W133-L224 HydrophobicContact CD2-CD1 3.83Å; W133-L224 HydrophobicContact CD2-CG 4.3Å; W133-L224 HydrophobicContact CE3-CD1 4.45Å; W133-L224 HydrophobicContact CG-CD1 3.59Å; W133-L224 HydrophobicContact CG-CG 3.89Å; W133-L224 HydrophobicContact CZ2-CD2 4.48Å; F151-L224 HydrophobicContact CD1-CD1 3.51Å; F151-L224 HydrophobicContact CE1-CD1 3.59Å; L224-L226 HydrophobicContact CB-CD1 3.88Å; L224-L226 HydrophobicContact CB-CG 4Å; L224-L226 HydrophobicContact CD1-CD1 3.94Å; L224-L226 PolarHBondContact O-N 3.36Å; L224-F231 HydrophobicContact CD1-CE2 4.34Å; L224-F231 HydrophobicContact CD2-CE2 4.41Å; L224-P234 HydrophobicContact CD1-CG 4.48Å; L224-P234 HydrophobicContact CD2-CB 4.42Å; L224-P234 HydrophobicContact CD2-CG 3.52Å
225	A	78.2	Confident	88.1	Confident	50 Å²	50	59.7 Å²	59.7	41%	0.413	32%	0.317	S	S	.	.			trans	-81.5	56.1	174.2	0	0	0	0	0	111	E227 D228	A225-E227 PolarHBondContact O-N 3.5Å; A225-D228 WeakPolarHBondContact O-CB 3.44Å; A225-D228 PolarHBondContact O-N 2.88Å
226	L	70.8	Confident	87.8	Confident	8 Å²	8	61.4 Å²	61.4	4%	0.042	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.2	-177.3	-85.1	158.8	0	0	0	113.6	F151 E153 T163 T165 L224 D228 F231	F151-L226 HydrophobicContact CB-CD1 4.21Å; E153-L226 HydrophobicContact CG-CD1 3.74Å; E153-L226 WeakPolarHBondContact OE2-CD1 3.12Å; T163-L226 HydrophobicContact CG2-CD2 3.99Å; T165-L226 HydrophobicContact CG2-CD2 4.33Å; L224-L226 HydrophobicContact CB-CD1 3.88Å; L224-L226 HydrophobicContact CB-CG 4Å; L224-L226 HydrophobicContact CD1-CD1 3.94Å; L224-L226 PolarHBondContact O-N 3.36Å; L226-D228 PolarHBondContact O-N 2.95Å; L226-F231 HydrophobicContact CD2-CD1 4.16Å; L226-F231 HydrophobicContact CD2-CE1 3.25Å; L226-F231 HydrophobicContact CD2-CZ 3.61Å; L226-F231 HydrophobicContact CG-CE1 3.91Å; L226-F231 HydrophobicContact CG-CZ 4.08Å
227	E	69	Low	87.2	Confident	184 Å²	184	67 Å²	67	86%	0.86	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-28.4	168.4	-63.6	-169.8	168.8	0	0	111.9	A225	A225-E227 PolarHBondContact O-N 3.5Å
228	D	73.4	Confident	86.6	Confident	98 Å²	98	69.1 Å²	69.1	52%	0.524	38%	0.38	S	S	.	.	S	Bend	trans	-75.4	134.2	172.4	-65.5	-38.7	0	0	0	109.6	A225 L226 Q230	A225-D228 WeakPolarHBondContact O-CB 3.44Å; A225-D228 PolarHBondContact O-N 2.88Å; L226-D228 PolarHBondContact O-N 2.95Å; D228-Q230 WeakPolarHBondContact CB-O 3.32Å; D228-Q230 PolarHBondContact O-N 2.9Å
229	H	83.8	Confident	85.8	Confident	138 Å²	138	74.2 Å²	74.2	64%	0.639	41%	0.413	S	S	*	.	S	Bend	trans	-57.1	-17.1	177.7	-68.4	-69.6	0	0	0	113.9	R175 R176	R175-H229 WeakPolarHBondContact CA-O 3.48Å; R176-H229 PolarHBondContact N-O 3.26Å
230	Q	89.7	Confident	85.4	Confident	100 Å²	100	78.9 Å²	78.9	47%	0.467	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	145.5	173.1	66.2	-177.9	1.3	0	0	110.6	V174 R175 D228	V174-Q230 CarbonylContact O-C 3.51Å; V174-Q230 WeakPolarHBondContact O-CA 3.4Å; R175-Q230 HydrophobicContact CG-CB 4.08Å; D228-Q230 WeakPolarHBondContact CB-O 3.32Å; D228-Q230 PolarHBondContact O-N 2.9Å
231	F	92.2	Very high	85.4	Confident	17 Å²	17	80.1 Å²	80.1	8%	0.075	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	164	174.5	62.2	-80.7	0	0	0	110.3	F151 W173 V174 L224 L226 P234	F151-F231 HydrophobicContact CD2-CZ 4.47Å; F151-F231 HydrophobicContact CE1-CE2 4.43Å; F151-F231 HydrophobicContact CE1-CZ 4.26Å; F151-F231 HydrophobicContact CE2-CZ 4.08Å; F151-F231 HydrophobicContact CZ-CE2 4.26Å; F151-F231 AromaticContact CZ-CZ 3.97Å; F151-F231 HydrophobicContact CZ-CZ 3.97Å; W173-F231 WeakPolarHBondContact CA-O 3.41Å; V174-F231 HydrophobicContact CB-CD1 4.11Å; V174-F231 HydrophobicContact CB-CD2 4.28Å; V174-F231 HydrophobicContact CB-CE1 3.6Å; V174-F231 HydrophobicContact CB-CE2 3.83Å; V174-F231 HydrophobicContact CB-CG 4.41Å; V174-F231 HydrophobicContact CB-CZ 3.46Å; V174-F231 VanDerWaalsContact CB-CZ 3.46Å; V174-F231 HydrophobicContact CG1-CD1 4.35Å; V174-F231 HydrophobicContact CG1-CE1 3.43Å; V174-F231 VanDerWaalsContact CG1-CE1 3.43Å; V174-F231 HydrophobicContact CG1-CE2 4.22Å; V174-F231 HydrophobicContact CG1-CZ 3.38Å; V174-F231 HydrophobicContact CG2-CE2 3.93Å; V174-F231 HydrophobicContact CG2-CZ 3.91Å; V174-F231 PolarHBondContact N-O 2.84Å; V174-F231 PolarHBondContact O-N 3Å; L224-F231 HydrophobicContact CD1-CE2 4.34Å; L224-F231 HydrophobicContact CD2-CE2 4.41Å; L226-F231 HydrophobicContact CD2-CD1 4.16Å; L226-F231 HydrophobicContact CD2-CE1 3.25Å; L226-F231 HydrophobicContact CD2-CZ 3.61Å; L226-F231 HydrophobicContact CG-CE1 3.91Å; L226-F231 HydrophobicContact CG-CZ 4.08Å; F231-P234 HydrophobicContact CE2-CG 4.38Å
232	A	92.1	Very high	85.6	Confident	60 Å²	60	76.2 Å²	76.2	50%	0.496	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	136.2	178	0	0	0	0	0	110.1	W173	W173-A232 HydrophobicContact CZ3-CB 4.44Å
233	L	91.3	Very high	85.8	Confident	33 Å²	33	73.2 Å²	73.2	17%	0.173	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-57.9	126.9	175.8	-178.3	75.1	0	0	0	109.8	L144 T167 G171 Q172 V174 N235	L144-L233 HydrophobicContact CB-CD2 4.07Å; L144-L233 HydrophobicContact CD1-CD2 3.54Å; L144-L233 HydrophobicContact CG-CD2 4.41Å; T167-L233 HydrophobicContact CG2-CD1 4.28Å; G171-L233 WeakPolarHBondContact O-CD2 3.29Å; Q172-L233 PolarHBondContact O-N 2.99Å; V174-L233 HydrophobicContact CG2-CB 4.07Å; V174-L233 HydrophobicContact CG2-CD1 3.45Å; V174-L233 VanDerWaalsContact CG2-CD1 3.45Å; V174-L233 HydrophobicContact CG2-CG 4.37Å; L233-N235 PolarHBondContact O-N 3.31Å
234	P	90.4	Very high	86.2	Confident	21 Å²	21	69.5 Å²	69.5	14%	0.136	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-62	124.8	-179.7	-24	35.1	0	0	0	111.4	W133 L224 F231 V236	W133-P234 HydrophobicContact CH2-CB 3.64Å; W133-P234 HydrophobicContact CH2-CG 4.07Å; W133-P234 HydrophobicContact CZ2-CB 3.56Å; W133-P234 HydrophobicContact CZ2-CG 3.97Å; L224-P234 HydrophobicContact CD1-CG 4.48Å; L224-P234 HydrophobicContact CD2-CB 4.42Å; L224-P234 HydrophobicContact CD2-CG 3.52Å; F231-P234 HydrophobicContact CE2-CG 4.38Å; P234-V236 PolarHBondContact O-N 3.3Å
235	N	89.3	Confident	86.5	Confident	143 Å²	143	70.3 Å²	70.3	77%	0.765	40%	0.403	S	S	*	.			trans	-85.4	95.2	176.5	-174.3	13.4	0	0	0	110.3	L233 T237	L233-N235 PolarHBondContact O-N 3.31Å; N235-T237 WeakPolarHBondContact OD1-CG2 3.3Å
236	V	91.2	Very high	87.2	Confident	37 Å²	37	70.6 Å²	70.6	22%	0.224	40%	0.396	C	S	.	.			trans	-94.3	105.4	177.5	-175.9	0	0	0	0	109.5	W133 A218 P234 E241 A242	W133-V236 HydrophobicContact CH2-CG2 3.51Å; W133-V236 HydrophobicContact CZ2-CG2 4.14Å; A218-V236 HydrophobicContact CB-CB 4.32Å; A218-V236 HydrophobicContact CB-CG2 4.01Å; P234-V236 PolarHBondContact O-N 3.3Å; V236-E241 HydrophobicContact CG1-CB 3.53Å; V236-A242 HydrophobicContact CB-CB 4.03Å; V236-A242 HydrophobicContact CG1-CB 3.91Å
237	T	83.4	Confident	88.2	Confident	118 Å²	118	70.4 Å²	70.4	72%	0.724	40%	0.395	S	S	*	.			trans	-102	-10.6	179.3	55.6	0	0	0	0	113.5	N235	N235-T237 WeakPolarHBondContact OD1-CG2 3.3Å
238	A	84.8	Confident	89.4	Confident	48 Å²	48	62.1 Å²	62.1	40%	0.397	36%	0.357	S	S	.	.	S	Bend	trans	-64.8	131.3	-179.4	0	0	0	0	0	110.4	H240 E241	A238-H240 PolarHBondContact O-N 2.9Å; A238-E241 HydrophobicContact CB-CB 3.86Å; A238-E241 HydrophobicContact CB-CG 3.57Å; A238-E241 PolarHBondContact O-N 2.72Å
239	P	80.6	Confident	90.4	Very high	106 Å²	106	57.4 Å²	57.4	69%	0.688	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	140.2	174.5	-21.6	31.8	0	0	0	110.5	E241	P239-E241 PolarHBondContact O-N 3.2Å
240	H	86.4	Confident	90.9	Very high	108 Å²	108	51.2 Å²	51.2	50%	0.5	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	9.9	179.6	-45.9	-73.6	0	0	0	115.8	W217 A238	W217-H240 VanDerWaalsContact CH2-O 3.28Å; W217-H240 WeakPolarHBondContact CH2-O 3.19Å; A238-H240 PolarHBondContact O-N 2.9Å
241	E	93.4	Very high	91	Very high	38 Å²	38	49.4 Å²	49.4	18%	0.178	29%	0.292	C	S	.	.	S	Bend	trans	-103.8	-7.6	174.7	-65.2	-58.9	147.7	0	0	112.9	H131 A218 R219 V236 A238 P239	H131-E241 IonicContact CE1-OE2 2.76Å; H131-E241 IonicContact NE2-OE1 3.64Å; H131-E241 IonicContact NE2-OE2 2.68Å; H131-E241 PolarHBondContact NE2-OE2 2.9Å; A218-E241 CarbonylContact C-O 3.57Å; A218-E241 WeakPolarHBondContact CA-O 3.1Å; A218-E241 WeakPolarHBondContact CB-O 3.46Å; R219-E241 WeakPolarHBondContact CD-OE2 3.46Å; R219-E241 WeakPolarHBondContact CG-OE2 3.4Å; R219-E241 IonicContact CZ-OE1 2.92Å; R219-E241 IonicContact CZ-OE2 3.07Å; R219-E241 PolarHBondContact N-O 2.95Å; R219-E241 IonicContact NE-OE1 3.89Å; R219-E241 PolarHBondContact NE-OE1 3.47Å; R219-E241 IonicContact NE-OE2 2.62Å; R219-E241 PolarHBondContact NE-OE2 3.23Å; R219-E241 IonicContact NH2-OE1 3.41Å; R219-E241 PolarHBondContact NH2-OE1 2.02Å; R219-E241 IonicContact NH2-OE2 3.83Å; V236-E241 HydrophobicContact CG1-CB 3.53Å; A238-E241 HydrophobicContact CB-CB 3.86Å; A238-E241 HydrophobicContact CB-CG 3.57Å; A238-E241 PolarHBondContact O-N 2.72Å; P239-E241 PolarHBondContact O-N 3.2Å
242	A	95.2	Very high	91.1	Very high	37 Å²	37	49.2 Å²	49.2	31%	0.306	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155.6	174.3	0	0	0	0	0	110.9	W217 A218 V236	W217-A242 CarbonylContact O-C 3.6Å; W217-A242 VanDerWaalsContact O-CA 3.24Å; W217-A242 WeakPolarHBondContact O-CA 3.06Å; A218-A242 HydrophobicContact CB-CB 3.59Å; V236-A242 HydrophobicContact CB-CB 4.03Å; V236-A242 HydrophobicContact CG1-CB 3.91Å
243	G	94.4	Very high	91.1	Very high	27 Å²	27	49 Å²	49	28%	0.278	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	178.4	175.4	0	0	0	0	0	114.5	V216 W217	V216-G243 WeakPolarHBondContact CA-O 3.22Å; W217-G243 VanDerWaalsContact CD1-O 3.23Å; W217-G243 PolarHBondContact N-O 3.43Å; W217-G243 PolarHBondContact O-N 3.28Å
244	V	94.2	Very high	91.2	Very high	69 Å²	69	52 Å²	52	42%	0.418	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.6	175.5	-171.8	0	0	0	0	108.8	Y214 V215 V216	Y214-V244 HydrophobicContact CD1-CG1 4.08Å; V215-V244 CarbonylContact O-C 3.6Å; V215-V244 WeakPolarHBondContact O-CA 3.35Å; V216-V244 HydrophobicContact CG1-CG1 4.15Å; V216-V244 HydrophobicContact CG1-CG2 3.95Å
245	K	93	Very high	91.4	Very high	37 Å²	37	52.8 Å²	52.8	16%	0.161	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.4	172.3	-67.2	-67.5	176.1	-177.2	0	109.8	I99 Y100 L101 D103 V215 L247	I99-K245 HydrophobicContact CD1-CD 4.42Å; Y100-K245 WeakPolarHBondContact O-CE 3.48Å; L101-K245 HydrophobicContact CD2-CB 4.38Å; L101-K245 HydrophobicContact CD2-CG 3.95Å; L101-K245 WeakPolarHBondContact O-CE 3.21Å; D103-K245 IonicContact OD1-NZ 3.3Å; D103-K245 PolarHBondContact OD1-NZ 2.96Å; D103-K245 IonicContact OD2-NZ 2.68Å; D103-K245 PolarHBondContact OD2-NZ 3.34Å; V215-K245 PolarHBondContact N-O 2.93Å; V215-K245 PolarHBondContact O-N 2.61Å; K245-L247 HydrophobicContact CB-CD2 3.91Å
246	M	93	Very high	91.5	Very high	55 Å²	55	51.6 Å²	51.6	27%	0.271	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	128.9	167.4	-67.8	176.7	-71.1	0	0	108.5	T212 M213 Y214 H492 F493	T212-M246 HydrophobicContact CG2-CB 4.05Å; T212-M246 HydrophobicContact CG2-CG 4.29Å; M213-M246 WeakPolarHBondContact O-CA 2.99Å; Y214-M246 HydrophobicContact CD1-CG 3.56Å; Y214-M246 HydrophobicContact CD1-SD 4.31Å; Y214-M246 HydrophobicContact CE1-CG 3.42Å; Y214-M246 VanDerWaalsContact CE1-CG 3.42Å; Y214-M246 HydrophobicContact CE1-SD 3.54Å; Y214-M246 VanDerWaalsContact CE1-SD 3.54Å; Y214-M246 HydrophobicContact CG-CG 4.26Å; M246-H492 HydrophobicContact CE-CB 4.48Å; M246-F493 HydrophobicContact CB-CB 4.09Å; M246-F493 HydrophobicContact CB-CD1 3.91Å; M246-F493 HydrophobicContact CB-CD2 3.85Å; M246-F493 HydrophobicContact CB-CE1 4.32Å; M246-F493 HydrophobicContact CB-CE2 4.28Å; M246-F493 HydrophobicContact CB-CG 3.66Å; M246-F493 HydrophobicContact CE-CB 3.76Å; M246-F493 HydrophobicContact CE-CG 4.42Å; M246-F493 HydrophobicContact CG-CB 4.48Å; M246-F493 WeakPolarHBondContact O-CE2 3.47Å; M246-F493 WeakPolarHBondContact O-CZ 3.14Å; M246-F493 HydrophobicContact SD-CB 3.62Å; M246-F493 HydrophobicContact SD-CG 4.27Å
247	L	92.4	Very high	91.6	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	159.1	176.3	57.2	119.2	0	0	0	112.3	W110 M213 V215 K245 L249	W110-L247 HydrophobicContact CH2-CD1 3.86Å; W110-L247 HydrophobicContact CZ2-CD1 3.75Å; W110-L247 HydrophobicContact CZ3-CD1 4.38Å; M213-L247 WeakPolarHBondContact CB-O 3.25Å; M213-L247 PolarHBondContact N-O 2.74Å; M213-L247 PolarHBondContact O-N 2.94Å; V215-L247 HydrophobicContact CB-CD2 4.02Å; V215-L247 HydrophobicContact CG2-CD1 4.27Å; V215-L247 HydrophobicContact CG2-CD2 3.72Å; V215-L247 HydrophobicContact CG2-CG 4.08Å; K245-L247 HydrophobicContact CB-CD2 3.91Å; L247-L249 HydrophobicContact CD1-CD2 3.41Å; L247-L249 VanDerWaalsContact CD1-CD2 3.41Å; L247-L249 HydrophobicContact CD1-CG 3.73Å
248	Q	93	Very high	92.1	Very high	9 Å²	9	50 Å²	50	4%	0.042	28%	0.281	C	S	.	.			trans	-86.2	107.9	167.9	-169.6	-174.4	34.3	0	0	109.9	W110 E210 R251	W110-Q248 WeakPolarHBondContact CZ2-O 3.5Å; E210-Q248 WeakPolarHBondContact O-CG 3.42Å; E210-Q248 PolarHBondContact O-NE2 2.92Å; Q248-R251 HydrophobicContact CB-CB 4.22Å; Q248-R251 HydrophobicContact CG-CB 3.93Å; Q248-R251 WeakPolarHBondContact O-CD 3.18Å; Q248-R251 VanDerWaalsContact OE1-CB 3.24Å
249	L	94.4	Very high	92.5	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-71.5	-54.7	176.2	-78.1	174.3	0	0	0	111.5	W110 V112 F121 F138 L208 M213 V215 L247 R251	W110-L249 HydrophobicContact CD2-CD2 4.47Å; W110-L249 HydrophobicContact CG-CD2 4.35Å; W110-L249 PolarHBondContact NE1-O 3Å; V112-L249 VanDerWaalsContact CG2-O 3.25Å; V112-L249 WeakPolarHBondContact CG2-O 3.34Å; F121-L249 HydrophobicContact CE1-CD1 4.49Å; F121-L249 HydrophobicContact CE1-CD2 3.61Å; F121-L249 HydrophobicContact CZ-CD1 4.38Å; F121-L249 HydrophobicContact CZ-CD2 4.17Å; F138-L249 HydrophobicContact CD1-CD1 3.8Å; F138-L249 HydrophobicContact CE1-CD1 3.62Å; L208-L249 HydrophobicContact CD2-CD1 3.91Å; M213-L249 HydrophobicContact CB-CD1 3.98Å; M213-L249 HydrophobicContact CB-CG 4.12Å; M213-L249 HydrophobicContact CE-CD1 4.18Å; M213-L249 HydrophobicContact CG-CB 4.13Å; M213-L249 HydrophobicContact CG-CD1 3.91Å; M213-L249 HydrophobicContact CG-CG 4.1Å; V215-L249 HydrophobicContact CG2-CD1 4.37Å; L247-L249 HydrophobicContact CD1-CD2 3.41Å; L247-L249 VanDerWaalsContact CD1-CD2 3.41Å; L247-L249 HydrophobicContact CD1-CG 3.73Å; L249-R251 PolarHBondContact O-N 2.98Å
250	L	95	Very high	93	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.037	28%	0.276	C	S	.	.	S	Bend	trans	-81.9	67.1	178	-55	-166.7	0	0	0	110.8	V112 W114 V119 F198 L208 E210	V112-L250 HydrophobicContact CG1-CD2 4.07Å; W114-L250 HydrophobicContact CH2-CB 3.99Å; W114-L250 HydrophobicContact CZ2-CB 4.32Å; V119-L250 HydrophobicContact CG2-CD2 3.51Å; F198-L250 HydrophobicContact CB-CD1 4.44Å; F198-L250 HydrophobicContact CD1-CD1 4.25Å; F198-L250 HydrophobicContact CD1-CD2 3.57Å; F198-L250 HydrophobicContact CD2-CD1 3.79Å; F198-L250 HydrophobicContact CD2-CD2 4.39Å; F198-L250 HydrophobicContact CE1-CD2 3.4Å; F198-L250 HydrophobicContact CE2-CD1 4.06Å; F198-L250 HydrophobicContact CE2-CD2 4.24Å; F198-L250 HydrophobicContact CG-CD1 3.91Å; F198-L250 HydrophobicContact CG-CD2 4.1Å; F198-L250 HydrophobicContact CZ-CD1 4.43Å; F198-L250 HydrophobicContact CZ-CD2 3.78Å; L208-L250 HydrophobicContact CB-CD1 4.36Å; L208-L250 HydrophobicContact CB-CD2 4.25Å; L208-L250 HydrophobicContact CB-CG 4.25Å; L208-L250 WeakPolarHBondContact O-CD1 3.37Å; E210-L250 HydrophobicContact CG-CB 4.09Å
251	R	92.5	Very high	93.2	Very high	62 Å²	62	52.3 Å²	52.3	23%	0.234	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-97.6	158.8	-179.8	67.8	-173	-64.9	146.7	19.2	112.4	H97 W110 Q248 L249 E495	H97-R251 VanDerWaalsContact ND1-CD 3.32Å; H97-R251 WeakPolarHBondContact ND1-CD 3.35Å; H97-R251 PolarHBondContact ND1-NE 2.9Å; H97-R251 WeakPolarHBondContact NE2-CG 3.05Å; W110-R251 HydrophobicContact CZ2-CG 4.5Å; Q248-R251 HydrophobicContact CB-CB 4.22Å; Q248-R251 HydrophobicContact CG-CB 3.93Å; Q248-R251 WeakPolarHBondContact O-CD 3.18Å; Q248-R251 VanDerWaalsContact OE1-CB 3.24Å; L249-R251 PolarHBondContact O-N 2.98Å; R251-E495 IonicContact CZ-OE1 2.77Å; R251-E495 IonicContact NH1-OE1 3.56Å; R251-E495 IonicContact NH2-OE1 3.4Å; R251-E495 PolarHBondContact NH2-OE1 2.9Å
252	A	93.9	Very high	93.3	Very high	13 Å²	13	52.6 Å²	52.6	11%	0.107	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-71.2	151.9	174.3	0	0	0	0	0	111.9	H97 T498 H500	H97-A252 PolarHBondContact CE1-O 2.75Å; A252-T498 HydrophobicContact CB-CG2 4.02Å; A252-T498 WeakPolarHBondContact CB-O 3.42Å; A252-H500 HydrophobicContact CB-CB 4.1Å
253	D	92.6	Very high	93.2	Very high	56 Å²	56	53.6 Å²	53.6	30%	0.299	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-53.3	141.9	171.7	-64.8	9.4	0	0	0	110.9	K95 I255	K95-D253 WeakPolarHBondContact CE-OD2 3.05Å; K95-D253 WeakPolarHBondContact CG-OD2 3.32Å; D253-I255 PolarHBondContact O-N 2.8Å
254	K	92.5	Very high	93.1	Very high	97 Å²	97	57.4 Å²	57.4	42%	0.422	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-59.3	131.3	174.8	-64.5	171.3	173.7	167.8	0	109.9	T94 L96	T94-K254 WeakPolarHBondContact CB-O 3.41Å; T94-K254 WeakPolarHBondContact O-CB 3.43Å; T94-K254 PolarHBondContact O-N 3.2Å; L96-K254 WeakPolarHBondContact O-CE 3.09Å; L96-K254 PolarHBondContact O-NZ 3.28Å
255	I	93.5	Very high	93.1	Very high	37 Å²	37	55.1 Å²	55.1	19%	0.19	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-79.4	126.5	175.3	-66.2	162.6	0	0	0	109.2	D253 T359 Y360 P361 P362 T498	D253-I255 PolarHBondContact O-N 2.8Å; I255-T359 HydrophobicContact CB-CG2 3.95Å; I255-T359 VanDerWaalsContact CD1-O 3.29Å; I255-T359 WeakPolarHBondContact CD1-O 3.19Å; I255-T359 HydrophobicContact CG2-CG2 3.84Å; I255-Y360 WeakPolarHBondContact CG2-O 3.42Å; I255-P361 HydrophobicContact CD1-CB 4.14Å; I255-P362 HydrophobicContact CG2-CG 4.43Å; I255-T498 HydrophobicContact CD1-CG2 3.74Å
256	L	92.1	Very high	93.3	Very high	117 Å²	117	58.1 Å²	58.1	61%	0.613	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-83.6	138.8	168.9	-61	178.5	0	0	0	109.9	T94 P258	T94-L256 HydrophobicContact CG2-CD1 3.61Å; T94-L256 HydrophobicContact CG2-CD2 3.8Å; T94-L256 HydrophobicContact CG2-CG 3.51Å; L256-P258 VanDerWaalsContact O-CD 3.24Å; L256-P258 WeakPolarHBondContact O-CD 3.02Å
257	I	94.4	Very high	93.5	Very high	40 Å²	40	55.5 Å²	55.5	21%	0.205	28%	0.284	C	S	.	.			trans	-86.2	109.5	172	-57.9	174.8	0	0	0	106.8	E259 L262 V299 Q300 T359	I257-E259 HydrophobicContact CG2-CB 4.37Å; I257-E259 WeakPolarHBondContact CG2-OE2 3.06Å; I257-E259 PolarHBondContact O-N 3.46Å; I257-L262 HydrophobicContact CD1-CD1 4.33Å; I257-L262 HydrophobicContact CG2-CD1 3.98Å; I257-L262 HydrophobicContact CG2-CD2 4.08Å; I257-V299 HydrophobicContact CD1-CG2 4.15Å; I257-V299 HydrophobicContact CG2-CB 4.47Å; I257-V299 HydrophobicContact CG2-CG2 4Å; I257-Q300 HydrophobicContact CD1-CB 3.9Å; I257-T359 HydrophobicContact CD1-CG2 4.22Å; I257-T359 HydrophobicContact CG1-CG2 3.81Å
258	P	92.3	Very high	93.7	Very high	82 Å²	82	57 Å²	57	53%	0.532	29%	0.293	S	S	.	.			trans	-70.7	-20.6	-178.1	28.3	-36.1	0	0	0	113.1	L256 P362	L256-P258 VanDerWaalsContact O-CD 3.24Å; L256-P258 WeakPolarHBondContact O-CD 3.02Å; P258-P362 HydrophobicContact CG-CB 4.36Å
259	E	94.1	Very high	93.9	Very high	28 Å²	28	56.6 Å²	56.6	13%	0.131	29%	0.292	C	S	.	.			trans	-78	132.5	-177	-55.1	92.7	165.6	0	0	112.1	I257 L262 S403 R407	I257-E259 HydrophobicContact CG2-CB 4.37Å; I257-E259 WeakPolarHBondContact CG2-OE2 3.06Å; I257-E259 PolarHBondContact O-N 3.46Å; E259-L262 HydrophobicContact CB-CD2 4.14Å; E259-S403 WeakPolarHBondContact CG-OG 3.26Å; E259-R407 WeakPolarHBondContact OE1-CG 3.36Å; E259-R407 IonicContact OE1-CZ 3.42Å; E259-R407 IonicContact OE1-NE 3.46Å; E259-R407 PolarHBondContact OE1-NE 2.94Å; E259-R407 IonicContact OE1-NH2 2.81Å; E259-R407 IonicContact OE2-CZ 3.55Å; E259-R407 IonicContact OE2-NE 3.82Å; E259-R407 IonicContact OE2-NH2 2.63Å; E259-R407 PolarHBondContact OE2-NH2 2.82Å
260	T	91.1	Very high	93.8	Very high	138 Å²	138	62.5 Å²	62.5	85%	0.847	32%	0.319	S	S	*	.	S	Bend	trans	-92.4	-27.9	-176.2	53.5	0	0	0	0	114
261	E	90.6	Very high	93.8	Very high	145 Å²	145	69.5 Å²	69.5	68%	0.678	35%	0.352	S	S	*	.			trans	-101.9	91.3	180	-67.1	-176.8	-174.2	0	0	109.6
262	L	95	Very high	93.9	Very high	44 Å²	44	66.5 Å²	66.5	23%	0.23	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.1	178.1	-60.9	174.9	0	0	0	110.6	I257 E259 V299 K401 M402	I257-L262 HydrophobicContact CD1-CD1 4.33Å; I257-L262 HydrophobicContact CG2-CD1 3.98Å; I257-L262 HydrophobicContact CG2-CD2 4.08Å; E259-L262 HydrophobicContact CB-CD2 4.14Å; L262-V299 HydrophobicContact CD2-CG2 3.83Å; L262-K401 HydrophobicContact CD1-CD 4.33Å; L262-M402 CarbonylContact C-O 3.59Å; L262-M402 VanDerWaalsContact CA-O 3.32Å; L262-M402 WeakPolarHBondContact CA-O 3.35Å
263	D	93.6	Very high	94	Very high	57 Å²	57	69.3 Å²	69.3	31%	0.305	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	154.3	165.7	-65.9	-29.9	0	0	0	109.2	K401 M402 K404	D263-K401 WeakPolarHBondContact O-CA 3.05Å; D263-M402 HydrophobicContact CB-CE 4.3Å; D263-M402 PolarHBondContact N-O 3.45Å; D263-M402 PolarHBondContact O-N 3.31Å; D263-K404 IonicContact OD1-NZ 2.91Å; D263-K404 PolarHBondContact OD1-NZ 2.79Å; D263-K404 WeakPolarHBondContact OD2-CE 3.25Å; D263-K404 IonicContact OD2-NZ 2.76Å; D263-K404 PolarHBondContact OD2-NZ 2.97Å
264	H	92.7	Very high	94.1	Very high	108 Å²	108	67 Å²	67	50%	0.5	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	141.2	178	-61.3	-95.9	0	0	0	110.2	I400	H264-I400 VanDerWaalsContact CA-O 3.32Å; H264-I400 WeakPolarHBondContact CA-O 3.47Å
265	M	94.7	Very high	94.1	Very high	20 Å²	20	63.8 Å²	63.8	10%	0.099	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.2	166.2	68.5	165.5	57.1	0	0	110.1	I267 L288 L292 I368 R399 I400 M402	M265-I267 HydrophobicContact SD-CD1 4.15Å; M265-I267 HydrophobicContact SD-CG1 4.3Å; M265-L288 HydrophobicContact CE-CD1 4.34Å; M265-L288 HydrophobicContact SD-CD1 4.35Å; M265-L288 HydrophobicContact SD-CD2 4.16Å; M265-L292 HydrophobicContact CE-CD2 4.13Å; M265-I368 HydrophobicContact CE-CD1 3.68Å; M265-I368 HydrophobicContact SD-CD1 4.11Å; M265-R399 WeakPolarHBondContact O-CA 2.82Å; M265-I400 HydrophobicContact CG-CB 3.69Å; M265-I400 HydrophobicContact CG-CD1 4.26Å; M265-I400 HydrophobicContact CG-CG1 4.37Å; M265-I400 HydrophobicContact CG-CG2 4.24Å; M265-I400 PolarHBondContact N-O 3.19Å; M265-I400 PolarHBondContact O-N 2.73Å; M265-I400 HydrophobicContact SD-CD1 4.14Å; M265-M402 HydrophobicContact CB-CE 3.95Å; M265-M402 HydrophobicContact CE-CE 3.42Å; M265-M402 VanDerWaalsContact CE-CE 3.42Å; M265-M402 HydrophobicContact CE-SD 3.49Å; M265-M402 WeakPolarHBondContact CE-SD 3.38Å; M265-M402 HydrophobicContact CG-CE 3.8Å; M265-M402 HydrophobicContact CG-SD 4.38Å; M265-M402 HydrophobicContact SD-CE 4.31Å; M265-M402 HydrophobicContact SD-SD 4.33Å
266	E	95.8	Very high	94.2	Very high	101 Å²	101	64.9 Å²	64.9	47%	0.472	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.8	171.9	-64.1	-172.9	170.2	0	0	109.3	T268 L304 F398 R399	E266-T268 HydrophobicContact CB-CG2 4.37Å; E266-L304 HydrophobicContact CB-CD1 4.48Å; E266-L304 HydrophobicContact CG-CD1 4.07Å; E266-F398 CarbonylContact C-O 3.58Å; E266-F398 VanDerWaalsContact CA-O 3.24Å; E266-F398 WeakPolarHBondContact CA-O 3.27Å; E266-R399 HydrophobicContact CG-CB 4.22Å; E266-R399 HydrophobicContact CG-CG 4.17Å; E266-R399 IonicContact OE1-CZ 3.74Å; E266-R399 VanDerWaalsContact OE1-CZ 3.24Å; E266-R399 IonicContact OE1-NE 3.53Å; E266-R399 PolarHBondContact OE1-NE 2.74Å; E266-R399 IonicContact OE1-NH2 3.69Å; E266-R399 PolarHBondContact OE1-NH2 3.19Å
267	I	96.6	Very high	94.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	103.7	174.3	-58.5	176.1	0	0	0	105.3	M265 L288 V316 V377 L379 G397 F398 I400	M265-I267 HydrophobicContact SD-CD1 4.15Å; M265-I267 HydrophobicContact SD-CG1 4.3Å; I267-L288 HydrophobicContact CD1-CD2 3.6Å; I267-L288 HydrophobicContact CG1-CD2 3.71Å; I267-V316 HydrophobicContact CD1-CG1 3.88Å; I267-V316 HydrophobicContact CD1-CG2 4.37Å; I267-V316 HydrophobicContact CG2-CG1 4.45Å; I267-V316 HydrophobicContact CG2-CG2 4.05Å; I267-V377 HydrophobicContact CD1-CG2 4.34Å; I267-V377 HydrophobicContact CG2-CG2 4.27Å; I267-L379 HydrophobicContact CG2-CB 4.07Å; I267-L379 HydrophobicContact CG2-CD2 4.41Å; I267-G397 CarbonylContact O-C 3.51Å; I267-G397 VanDerWaalsContact O-CA 3.26Å; I267-G397 WeakPolarHBondContact O-CA 3.27Å; I267-F398 PolarHBondContact N-O 2.82Å; I267-F398 PolarHBondContact O-N 3.34Å; I267-I400 HydrophobicContact CD1-CD1 3.56Å; I267-I400 HydrophobicContact CG1-CD1 4.26Å
268	T	97.1	Very high	93.7	Very high	36 Å²	36	67.4 Å²	67.4	22%	0.221	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	156.1	-173.6	61.7	0	0	0	0	110.8	E266 Q286 L304 L379 S396	E266-T268 HydrophobicContact CB-CG2 4.37Å; T268-Q286 PolarHBondContact O-OE1 3.33Å; T268-L304 HydrophobicContact CG2-CD1 4.06Å; T268-L379 VanDerWaalsContact C-CD2 3.49Å; T268-S396 WeakPolarHBondContact CA-O 3.38Å
269	L	97	Very high	93.5	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	34%	0.336	C	S	.	.			trans	-58.2	159.9	163.5	-61.3	-177.8	0	0	0	110.6	A272 H284 L379 V381 F383 D394 N395 S396	L269-A272 HydrophobicContact CB-CB 4.06Å; L269-A272 HydrophobicContact CD1-CB 3.71Å; L269-A272 HydrophobicContact CG-CB 4.38Å; L269-H284 HydrophobicContact CD2-CB 3.64Å; L269-L379 HydrophobicContact CD2-CD2 3.86Å; L269-L379 HydrophobicContact CD2-CG 4.19Å; L269-L379 HydrophobicContact CG-CD2 4.02Å; L269-V381 HydrophobicContact CD1-CB 4.05Å; L269-V381 HydrophobicContact CD1-CG1 4.33Å; L269-V381 HydrophobicContact CD1-CG2 3.81Å; L269-V381 HydrophobicContact CD2-CG2 3.91Å; L269-V381 HydrophobicContact CG-CG2 3.89Å; L269-F383 HydrophobicContact CD1-CE1 4.4Å; L269-F383 HydrophobicContact CD1-CE2 4.25Å; L269-F383 HydrophobicContact CD1-CZ 3.5Å; L269-D394 HydrophobicContact CD1-CB 4.47Å; L269-N395 PolarHBondContact O-OD1 3.03Å; L269-S396 PolarHBondContact N-O 2.84Å
270	Q	93	Very high	93.4	Very high	123 Å²	123	63.8 Å²	63.8	58%	0.575	33%	0.331	S	S	*	.	S	Bend	trans	-120.2	104.7	173.1	-68	-175.1	-0.9	0	0	109.4	A272 H284 N331	Q270-A272 PolarHBondContact O-N 2.82Å; Q270-A272 VanDerWaalsContact O-N 3.08Å; Q270-H284 WeakPolarHBondContact CG-NE2 3.34Å; Q270-N331 PolarHBondContact O-ND2 2.89Å
271	E	94.2	Very high	93.4	Very high	154 Å²	154	58.9 Å²	58.9	72%	0.72	30%	0.298	S	S	*	.	S	Bend	trans	41.9	47.1	177.5	-60.8	-174.8	164.8	0	0	112.7	P273 V393 N395	E271-P273 VanDerWaalsContact O-CD 3.24Å; E271-P273 WeakPolarHBondContact O-CD 3.44Å; E271-V393 HydrophobicContact CB-CG1 4.09Å; E271-N395 PolarHBondContact N-OD1 3.39Å
272	A	95.6	Very high	93.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	117.2	-174.9	0	0	0	0	0	110.1	L269 Q270 I274 W282 V393 D394	L269-A272 HydrophobicContact CB-CB 4.06Å; L269-A272 HydrophobicContact CD1-CB 3.71Å; L269-A272 HydrophobicContact CG-CB 4.38Å; Q270-A272 PolarHBondContact O-N 2.82Å; Q270-A272 VanDerWaalsContact O-N 3.08Å; A272-I274 PolarHBondContact O-N 2.76Å; A272-W282 HydrophobicContact CB-CD2 4.32Å; A272-W282 HydrophobicContact CB-CG 4.32Å; A272-W282 HydrophobicContact CB-CZ2 4.33Å; A272-V393 WeakPolarHBondContact O-CA 3.47Å; A272-D394 PolarHBondContact N-O 2.98Å; A272-D394 PolarHBondContact O-N 2.81Å
273	P	95	Very high	93.7	Very high	72 Å²	72	51 Å²	51	47%	0.468	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	113	175.9	29.8	-33.2	0	0	0	109.2	E271 P275 W282	E271-P273 VanDerWaalsContact O-CD 3.24Å; E271-P273 WeakPolarHBondContact O-CD 3.44Å; P273-P275 WeakPolarHBondContact O-CD 3.41Å; P273-W282 HydrophobicContact CG-CH2 3.72Å; P273-W282 HydrophobicContact CG-CZ2 4.2Å; P273-W282 HydrophobicContact CG-CZ3 4.46Å
274	I	94.5	Very high	93.8	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.031	25%	0.246	C	C	.	.			trans	-71.6	118.9	177.2	-60.2	163.3	0	0	0	107.9	A272 T307 I310 F383 N385 L392 D394	A272-I274 PolarHBondContact O-N 2.76Å; I274-T307 HydrophobicContact CD1-CG2 4.15Å; I274-I310 HydrophobicContact CD1-CG2 4.02Å; I274-I310 HydrophobicContact CG2-CG2 4.35Å; I274-F383 HydrophobicContact CD1-CD1 4.14Å; I274-F383 HydrophobicContact CD1-CE1 4.05Å; I274-F383 HydrophobicContact CD1-CZ 4.41Å; I274-F383 HydrophobicContact CG1-CD1 4.08Å; I274-F383 HydrophobicContact CG1-CD2 4.01Å; I274-F383 HydrophobicContact CG1-CE1 3.96Å; I274-F383 HydrophobicContact CG1-CE2 3.9Å; I274-F383 HydrophobicContact CG1-CG 4.09Å; I274-F383 HydrophobicContact CG1-CZ 3.86Å; I274-F383 HydrophobicContact CG2-CB 4.05Å; I274-F383 HydrophobicContact CG2-CD2 4.23Å; I274-F383 HydrophobicContact CG2-CG 4.1Å; I274-N385 HydrophobicContact CG2-CB 4.46Å; I274-L392 HydrophobicContact CB-CB 3.91Å; I274-L392 HydrophobicContact CD1-CB 3.87Å; I274-L392 HydrophobicContact CG1-CB 4.35Å; I274-L392 PolarHBondContact N-O 2.91Å; I274-D394 HydrophobicContact CD1-CB 3.74Å; I274-D394 HydrophobicContact CG1-CB 4.01Å
275	P	94.2	Very high	94	Very high	30 Å²	30	43.6 Å²	43.6	20%	0.195	22%	0.222	C	C	.	.			trans	-62.9	152	179.2	-24.5	37.4	0	0	0	112.4	P273 Q277 T280 W282 N385	P273-P275 WeakPolarHBondContact O-CD 3.41Å; P275-Q277 HydrophobicContact CB-CB 4.39Å; P275-Q277 HydrophobicContact CB-CG 4.07Å; P275-Q277 PolarHBondContact O-N 2.84Å; P275-T280 HydrophobicContact CG-CG2 3.73Å; P275-W282 HydrophobicContact CG-CZ3 4.32Å; P275-N385 PolarHBondContact O-ND2 2.86Å; P275-N385 VanDerWaalsContact O-ND2 3.16Å
276	S	94.2	Very high	94.1	Very high	60 Å²	60	44 Å²	44	42%	0.42	22%	0.224	S	C	.	.	S	Bend	trans	-77.2	52.2	170.4	-56.4	0	0	0	0	111.5	K388 Q389 S390	S276-K388 WeakPolarHBondContact CB-O 3.34Å; S276-Q389 PolarHBondContact OG-O 2.94Å; S276-S390 WeakPolarHBondContact OG-CA 3.25Å; S276-S390 WeakPolarHBondContact OG-CB 3.26Å
277	Q	90.3	Very high	94.1	Very high	110 Å²	110	45.5 Å²	45.5	51%	0.514	23%	0.225	S	C	.	.	S	Bend	trans	-122.4	155.7	175.6	-59.2	-173.9	21.5	0	0	108.2	P275 N385	P275-Q277 HydrophobicContact CB-CB 4.39Å; P275-Q277 HydrophobicContact CB-CG 4.07Å; P275-Q277 PolarHBondContact O-N 2.84Å; Q277-N385 WeakPolarHBondContact O-CB 3.48Å
278	E	87	Confident	94	Very high	100 Å²	100	45.7 Å²	45.7	47%	0.467	23%	0.226	S	C	.	.	S	Bend	trans	-65.1	-42.5	-179.5	179	171.1	-178	0	0	111.7	N384 N385	E278-N384 CarbonylContact O-C 3.56Å; E278-N384 WeakPolarHBondContact O-CA 3.38Å; E278-N384 PolarHBondContact O-OD1 3.48Å; E278-N385 WeakPolarHBondContact CA-O 3.29Å; E278-N385 PolarHBondContact O-N 2.83Å
279	T	86.9	Confident	93.5	Very high	30 Å²	30	51.9 Å²	51.9	18%	0.184	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.5	-179.8	-60.5	0	0	0	0	109.8	Y281 H382 F383 I532	T279-Y281 HydrophobicContact CG2-CD2 4.23Å; T279-Y281 HydrophobicContact CG2-CE2 3.94Å; T279-H382 VanDerWaalsContact CG2-NE2 3.34Å; T279-H382 WeakPolarHBondContact CG2-NE2 3.36Å; T279-F383 WeakPolarHBondContact CA-O 3.18Å; T279-I532 WeakPolarHBondContact OG1-CG2 3.32Å
280	T	91.9	Very high	92.8	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	131.9	170.8	-59.8	0	0	0	0	109.7	P275 W282 H382 F383	P275-T280 HydrophobicContact CG-CG2 3.73Å; T280-W282 HydrophobicContact CG2-CE3 4.19Å; T280-H382 WeakPolarHBondContact O-CA 3.15Å; T280-F383 PolarHBondContact N-O 3.06Å; T280-F383 PolarHBondContact O-N 3.11Å
281	Y	91.6	Very high	92.2	Very high	35 Å²	35	53.8 Å²	53.8	14%	0.137	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113.6	167.3	-76.2	-96	0	0	0	108.8	T279 H313 C334 E380 H382 F530	T279-Y281 HydrophobicContact CG2-CD2 4.23Å; T279-Y281 HydrophobicContact CG2-CE2 3.94Å; Y281-H313 AromaticContact CE1-CE1 3.7Å; Y281-H313 AromaticContact CE1-NE2 3.29Å; Y281-H313 VanDerWaalsContact CE1-NE2 3.29Å; Y281-H313 WeakPolarHBondContact CE1-NE2 3.28Å; Y281-H313 AromaticContact CZ-CE1 3.92Å; Y281-H313 AromaticContact CZ-NE2 3.97Å; Y281-H313 PolarHBondContact OH-CE1 3.1Å; Y281-C334 WeakPolarHBondContact O-CB 3.08Å; Y281-C334 PolarHBondContact O-N 3.14Å; Y281-C334 PolarHBondContact O-SG 2.87Å; Y281-C334 VanDerWaalsContact O-SG 3.36Å; Y281-E380 HydrophobicContact CD1-CG 4.33Å; Y281-H382 HydrophobicContact CD1-CB 4.04Å; Y281-H382 HydrophobicContact CE1-CB 3.76Å; Y281-H382 AromaticContact CZ-CG 3.83Å; Y281-F530 PolarHBondContact OH-O 2.9Å
282	W	95.5	Very high	91.9	Very high	24 Å²	24	47.5 Å²	47.5	9%	0.091	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.8	-177.9	-163.4	-85.5	0	0	0	110.7	A272 P273 P275 T280 N331 G332 E380 V381 F383	A272-W282 HydrophobicContact CB-CD2 4.32Å; A272-W282 HydrophobicContact CB-CG 4.32Å; A272-W282 HydrophobicContact CB-CZ2 4.33Å; P273-W282 HydrophobicContact CG-CH2 3.72Å; P273-W282 HydrophobicContact CG-CZ2 4.2Å; P273-W282 HydrophobicContact CG-CZ3 4.46Å; P275-W282 HydrophobicContact CG-CZ3 4.32Å; T280-W282 HydrophobicContact CG2-CE3 4.19Å; W282-N331 PolarHBondContact NE1-OD1 2.99Å; W282-G332 VanDerWaalsContact CZ2-CA 3.43Å; W282-E380 CarbonylContact O-C 3.59Å; W282-E380 WeakPolarHBondContact O-CA 3.21Å; W282-V381 PolarHBondContact N-O 3.47Å; W282-V381 PolarHBondContact O-N 3.49Å; W282-F383 HydrophobicContact CB-CD2 4.09Å; W282-F383 HydrophobicContact CB-CE2 3.6Å; W282-F383 HydrophobicContact CG-CE2 4.09Å
283	C	95.9	Very high	91.5	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.6	-175.5	-82.9	0	0	0	0	110.7	Y330 N331 G332 C334 L337 R378 L379	C283-Y330 HydrophobicContact CB-CD1 4.13Å; C283-Y330 HydrophobicContact CB-CE1 4.2Å; C283-Y330 WeakPolarHBondContact O-CD1 3.42Å; C283-N331 WeakPolarHBondContact O-CA 3.47Å; C283-G332 PolarHBondContact N-O 2.76Å; C283-G332 PolarHBondContact O-N 2.81Å; C283-C334 VanDerWaalsContact CA-SG 3.54Å; C283-C334 HydrophobicContact CB-CB 4.04Å; C283-C334 WeakPolarHBondContact CB-SG 3.47Å; C283-C334 PolarHBondContact N-SG 2.88Å; C283-C334 VanDerWaalsContact SG-CA 3.52Å; C283-C334 WeakPolarHBondContact SG-CB 3.35Å; C283-C334 CovalentContact SG-SG 2.03Å; C283-C334 PolarHBondContact SG-SG 3.36Å; C283-L337 HydrophobicContact CB-CD1 4.03Å; C283-R378 HydrophobicContact CB-CG 4.35Å; C283-L379 CarbonylContact C-O 3.5Å; C283-L379 WeakPolarHBondContact CA-O 3.43Å
284	H	97.1	Very high	91.4	Very high	7 Å²	7	63.2 Å²	63.2	3%	0.032	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	103.9	174.2	-173.3	-86.6	0	0	0	110.2	L269 Q270 Q286 Y330 N331 R378 L379	L269-H284 HydrophobicContact CD2-CB 3.64Å; Q270-H284 WeakPolarHBondContact CG-NE2 3.34Å; H284-Q286 PolarHBondContact CE1-OE1 2.78Å; H284-Q286 PolarHBondContact ND1-OE1 3.35Å; H284-Y330 CarbonylContact C-O 3.58Å; H284-Y330 VanDerWaalsContact CA-O 3.27Å; H284-Y330 WeakPolarHBondContact CA-O 3.42Å; H284-N331 VanDerWaalsContact CD2-CG 3.49Å; H284-R378 CarbonylContact O-C 3.5Å; H284-R378 WeakPolarHBondContact O-CA 3.45Å; H284-L379 HydrophobicContact CB-CB 4.37Å; H284-L379 PolarHBondContact N-O 3.04Å; H284-L379 PolarHBondContact O-N 3.41Å
285	V	96.9	Very high	91.4	Very high	2 Å²	2	68 Å²	68	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	118.2	174.4	-177.8	0	0	0	0	108.7	I327 P328 L329 Y330 L337 A341 V377 R378	V285-I327 HydrophobicContact CG1-CG2 4.01Å; V285-P328 WeakPolarHBondContact CG1-O 3.47Å; V285-L329 WeakPolarHBondContact O-CA 3.35Å; V285-L329 WeakPolarHBondContact O-CD2 3.4Å; V285-Y330 PolarHBondContact N-O 2.79Å; V285-Y330 PolarHBondContact O-N 2.93Å; V285-L337 HydrophobicContact CG2-CD1 3.94Å; V285-A341 HydrophobicContact CG2-CB 3.85Å; V285-V377 WeakPolarHBondContact CA-O 3.29Å; V285-R378 HydrophobicContact CG2-CB 4.13Å; V285-R378 HydrophobicContact CG2-CG 3.94Å
286	Q	96.2	Very high	91.4	Very high	27 Å²	27	66.9 Å²	66.9	13%	0.126	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	155.1	-177.6	61.2	-176.4	71.1	0	0	112.2	T268 H284 Y376 V377	T268-Q286 PolarHBondContact O-OE1 3.33Å; H284-Q286 PolarHBondContact CE1-OE1 2.78Å; H284-Q286 PolarHBondContact ND1-OE1 3.35Å; Q286-Y376 WeakPolarHBondContact O-CA 3.46Å; Q286-V377 HydrophobicContact CG-CG2 3.68Å; Q286-V377 PolarHBondContact N-O 2.85Å; Q286-V377 PolarHBondContact O-N 3.49Å
287	R	95.3	Very high	91.6	Very high	133 Å²	133	64.1 Å²	64.1	50%	0.502	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.7	169.3	-168.9	-178.1	176.3	-71.2	-3.2	108.8	E289 L329 P375 Y376	R287-E289 PolarHBondContact O-N 2.62Å; R287-L329 HydrophobicContact CB-CD2 4.5Å; R287-P375 HydrophobicContact CG-CB 4.14Å; R287-P375 HydrophobicContact CG-CG 4.01Å; R287-Y376 HydrophobicContact CB-CD1 4.03Å; R287-Y376 HydrophobicContact CB-CE1 3.81Å; R287-Y376 HydrophobicContact CG-CD1 4.46Å; R287-Y376 HydrophobicContact CG-CE1 4.2Å; R287-Y376 HydrophobicContact CG-CE2 4.29Å
288	L	94.6	Very high	91.9	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.026	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-65	133.3	173.9	-61.7	-178.9	0	0	0	110.7	M265 I267 L292 I368 F373 P375 V377	M265-L288 HydrophobicContact CE-CD1 4.34Å; M265-L288 HydrophobicContact SD-CD1 4.35Å; M265-L288 HydrophobicContact SD-CD2 4.16Å; I267-L288 HydrophobicContact CD1-CD2 3.6Å; I267-L288 HydrophobicContact CG1-CD2 3.71Å; L288-L292 HydrophobicContact CB-CD1 3.53Å; L288-L292 HydrophobicContact CD1-CD1 3.92Å; L288-L292 HydrophobicContact CG-CD1 4.4Å; L288-I368 HydrophobicContact CD1-CD1 3.9Å; L288-F373 HydrophobicContact CD1-CE1 4.5Å; L288-F373 HydrophobicContact CD1-CZ 4.46Å; L288-P375 WeakPolarHBondContact CB-O 3.37Å; L288-P375 WeakPolarHBondContact CG-O 3.46Å; L288-P375 PolarHBondContact N-O 3.03Å; L288-V377 HydrophobicContact CD1-CG1 3.7Å; L288-V377 HydrophobicContact CD2-CG1 4.2Å; L288-V377 HydrophobicContact CD2-CG2 3.6Å; L288-V377 HydrophobicContact CG-CG1 3.9Å; L288-V377 HydrophobicContact CG-CG2 3.98Å
289	E	87.5	Confident	92.4	Very high	165 Å²	165	54.1 Å²	54.1	77%	0.771	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-94.4	161.1	175.4	-59.5	-168.6	169	0	0	111.2	R287	R287-E289 PolarHBondContact O-N 2.62Å
290	G	80.7	Confident	92.9	Very high	69 Å²	69	53.8 Å²	53.8	71%	0.711	24%	0.244	S	C	*	.	S	Bend	trans	103.7	-178.2	-178.8	0	0	0	0	0	114.8	L292	G290-L292 VanDerWaalsContact C-N 3.33Å; G290-L292 PolarHBondContact O-N 2.91Å
291	N	81.7	Confident	93.1	Very high	96 Å²	96	53.7 Å²	53.7	51%	0.513	24%	0.244	S	C	.	.			trans	-83.6	70.9	-174.6	-173	9.1	0	0	0	112.4	R293 H296	N291-R293 PolarHBondContact O-N 3.36Å; N291-H296 PolarHBondContact O-CE1 3.25Å
292	L	88.3	Confident	93.2	Very high	22 Å²	22	53.9 Å²	53.9	12%	0.115	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	7.7	175.7	-61.2	179.7	0	0	0	113.8	M265 L288 G290 R294 I368 G369 G370 F373	M265-L292 HydrophobicContact CE-CD2 4.13Å; L288-L292 HydrophobicContact CB-CD1 3.53Å; L288-L292 HydrophobicContact CD1-CD1 3.92Å; L288-L292 HydrophobicContact CG-CD1 4.4Å; G290-L292 VanDerWaalsContact C-N 3.33Å; G290-L292 PolarHBondContact O-N 2.91Å; L292-R294 PolarHBondContact O-N 2.94Å; L292-I368 HydrophobicContact CD2-CD1 4.26Å; L292-I368 HydrophobicContact CD2-CG1 4.16Å; L292-G369 CarbonylContact O-C 3.58Å; L292-G369 WeakPolarHBondContact O-CA 3.2Å; L292-G370 PolarHBondContact O-N 3.26Å; L292-F373 HydrophobicContact CB-CD1 4.46Å; L292-F373 HydrophobicContact CD1-CD1 4.49Å; L292-F373 HydrophobicContact CD1-CE1 3.9Å
293	R	87.1	Confident	93.2	Very high	219 Å²	219	54.3 Å²	54.3	83%	0.826	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.5	171.7	-64.2	-175.4	177.8	-172.6	-0.5	112	N291 G370	N291-R293 PolarHBondContact O-N 3.36Å; R293-G370 WeakPolarHBondContact O-CA 3.36Å
294	R	91.8	Very high	93.2	Very high	182 Å²	182	55.5 Å²	55.5	69%	0.687	26%	0.258	S	S	*	.	S	Bend	trans	-98.2	149.2	172.8	-68	-174	178.4	-177.4	0.1	109.5	L292 H296 G370	L292-R294 PolarHBondContact O-N 2.94Å; R294-H296 PolarHBondContact O-CE1 3.12Å; R294-H296 VanDerWaalsContact O-CE1 3.28Å; R294-H296 PolarHBondContact O-ND1 3.39Å; R294-G370 PolarHBondContact O-N 3.25Å
295	R	94.3	Very high	93	Very high	108 Å²	108	57.7 Å²	57.7	41%	0.408	27%	0.269	S	S	.	.			trans	-73	136.6	173.8	-166	175.9	-167.5	-177.4	6.2	109.9	L406 D410	R295-L406 HydrophobicContact CB-CD1 4.4Å; R295-L406 HydrophobicContact CG-CD1 4.31Å; R295-L406 HydrophobicContact CG-CD2 4.18Å; R295-D410 IonicContact CZ-OD1 3.95Å; R295-D410 IonicContact CZ-OD2 3.77Å; R295-D410 IonicContact NE-OD1 2.71Å; R295-D410 IonicContact NH1-OD2 2.72Å; R295-D410 IonicContact NH2-OD1 3.3Å; R295-D410 PolarHBondContact NH2-OD1 2.97Å; R295-D410 IonicContact NH2-OD2 3.8Å; R295-D410 PolarHBondContact NH2-OD2 3.4Å
296	H	95.8	Very high	92.7	Very high	6 Å²	6	65.7 Å²	65.7	3%	0.028	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	166.4	174.3	-60.2	76.5	0	0	0	109.3	N291 R294 P367 I368 M402 S403 K404	N291-H296 PolarHBondContact O-CE1 3.25Å; R294-H296 PolarHBondContact O-CE1 3.12Å; R294-H296 VanDerWaalsContact O-CE1 3.28Å; R294-H296 PolarHBondContact O-ND1 3.39Å; H296-P367 WeakPolarHBondContact O-CA 3.29Å; H296-I368 HydrophobicContact CB-CG2 3.83Å; H296-I368 PolarHBondContact N-O 3.08Å; H296-I368 PolarHBondContact O-N 2.86Å; H296-M402 HydrophobicContact CB-CB 4.43Å; H296-S403 WeakPolarHBondContact CA-O 3.49Å; H296-S403 WeakPolarHBondContact CB-O 3.2Å; H296-K404 VanDerWaalsContact CD2-CG 3.45Å; H296-K404 WeakPolarHBondContact CD2-CG 3.2Å; H296-K404 WeakPolarHBondContact NE2-CG 3.12Å
297	H	97.3	Very high	92.4	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.7	168	-83.5	-179.5	0	0	0	109.7	V299 L366 M402 S403 L406 R407 Y409 D410	H297-V299 HydrophobicContact CB-CG1 4.45Å; H297-V299 PolarHBondContact O-N 3.1Å; H297-L366 CarbonylContact C-O 3.59Å; H297-L366 WeakPolarHBondContact CA-O 3.47Å; H297-M402 CarbonylContact O-C 3.49Å; H297-M402 VanDerWaalsContact O-CA 3.26Å; H297-M402 WeakPolarHBondContact O-CA 3.3Å; H297-S403 PolarHBondContact N-O 2.72Å; H297-S403 PolarHBondContact O-N 3.38Å; H297-L406 HydrophobicContact CB-CD2 4.46Å; H297-R407 PolarHBondContact CE1-N 2.87Å; H297-R407 PolarHBondContact CE1-O 3.21Å; H297-R407 PolarHBondContact ND1-N 3.41Å; H297-Y409 PolarHBondContact CE1-O 3.09Å; H297-D410 IonicContact CD2-OD1 2.81Å; H297-D410 IonicContact CE1-OD1 3.7Å; H297-D410 IonicContact NE2-OD1 3.65Å; H297-D410 PolarHBondContact NE2-OD1 3.41Å
298	I	97	Very high	92	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	124	161.6	-63.3	170.2	0	0	0	107	M348 Y360 G365 L366 I368 I400 M402	I298-M348 HydrophobicContact CD1-CE 3.92Å; I298-Y360 HydrophobicContact CG2-CE2 4.33Å; I298-G365 WeakPolarHBondContact O-CA 3.44Å; I298-L366 HydrophobicContact CB-CB 4.15Å; I298-L366 HydrophobicContact CD1-CD2 3.98Å; I298-L366 PolarHBondContact N-O 3.06Å; I298-L366 PolarHBondContact O-N 3.47Å; I298-I368 HydrophobicContact CD1-CB 4.29Å; I298-I368 HydrophobicContact CD1-CD1 4.16Å; I298-I368 HydrophobicContact CD1-CG2 4.4Å; I298-I368 HydrophobicContact CG1-CB 4.34Å; I298-I368 HydrophobicContact CG1-CG2 3.93Å; I298-I400 HydrophobicContact CB-CG2 4.13Å; I298-I400 HydrophobicContact CD1-CG2 3.83Å; I298-I400 HydrophobicContact CG1-CG2 3.58Å; I298-I400 HydrophobicContact CG2-CG2 3.59Å; I298-M402 HydrophobicContact CG1-CG 3.93Å
299	V	97.3	Very high	91.5	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-17.6	-178.2	-64.5	0	0	0	0	112.5	I257 L262 H297 Y360 K401 R407	I257-V299 HydrophobicContact CD1-CG2 4.15Å; I257-V299 HydrophobicContact CG2-CB 4.47Å; I257-V299 HydrophobicContact CG2-CG2 4Å; L262-V299 HydrophobicContact CD2-CG2 3.83Å; H297-V299 HydrophobicContact CB-CG1 4.45Å; H297-V299 PolarHBondContact O-N 3.1Å; V299-Y360 PolarHBondContact O-N 3.33Å; V299-K401 HydrophobicContact CG2-CB 4.29Å; V299-K401 WeakPolarHBondContact CG2-O 3.32Å; V299-K401 PolarHBondContact N-O 3.09Å; V299-R407 VanDerWaalsContact CG1-CZ 3.48Å
300	Q	96.7	Very high	91.6	Very high	22 Å²	22	59.9 Å²	59.9	10%	0.103	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	146.6	177.4	-177.8	175.7	83.6	0	0	110.1	I257 T357 F358 T359 K401	I257-Q300 HydrophobicContact CD1-CB 3.9Å; Q300-T357 HydrophobicContact CG-CG2 3.34Å; Q300-F358 VanDerWaalsContact CA-O 3.25Å; Q300-F358 WeakPolarHBondContact CA-O 3.1Å; Q300-F358 WeakPolarHBondContact CG-O 3.18Å; Q300-T359 PolarHBondContact NE2-OG1 3.42Å; Q300-K401 HydrophobicContact CB-CB 4.19Å; Q300-K401 HydrophobicContact CB-CD 4.44Å; Q300-K401 HydrophobicContact CB-CG 4.33Å; Q300-K401 PolarHBondContact N-O 2.83Å; Q300-K401 PolarHBondContact O-N 3.49Å; Q300-K401 VanDerWaalsContact OE1-CD 3.23Å
301	F	96	Very high	92.1	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.4	165.3	58.4	-102.4	0	0	0	110.4	V349 L350 F358 Y360 F398 R399 I400 M496	F301-V349 HydrophobicContact CB-CG1 3.96Å; F301-V349 HydrophobicContact CD1-CG1 3.89Å; F301-V349 HydrophobicContact CD1-CG2 4.16Å; F301-V349 HydrophobicContact CD2-CG1 3.41Å; F301-V349 VanDerWaalsContact CD2-CG1 3.41Å; F301-V349 HydrophobicContact CE1-CG1 4.18Å; F301-V349 HydrophobicContact CE2-CG1 3.74Å; F301-V349 HydrophobicContact CG-CG1 3.49Å; F301-V349 VanDerWaalsContact CG-CG1 3.49Å; F301-V349 HydrophobicContact CG-CG2 4.35Å; F301-V349 HydrophobicContact CZ-CG1 4.11Å; F301-L350 WeakPolarHBondContact CE2-O 3.35Å; F301-F358 HydrophobicContact CD1-CD1 4.44Å; F301-F358 HydrophobicContact CD2-CB 4.16Å; F301-F358 HydrophobicContact CE1-CB 4.1Å; F301-F358 AromaticContact CE1-CD1 3.57Å; F301-F358 HydrophobicContact CE1-CD1 3.57Å; F301-F358 HydrophobicContact CE1-CE1 4.47Å; F301-F358 HydrophobicContact CE1-CG 4.26Å; F301-F358 HydrophobicContact CE2-CB 3.6Å; F301-F358 HydrophobicContact CE2-CD1 4.49Å; F301-F358 HydrophobicContact CE2-CG 4.41Å; F301-F358 HydrophobicContact CZ-CB 3.56Å; F301-F358 AromaticContact CZ-CD1 3.6Å; F301-F358 HydrophobicContact CZ-CD1 3.6Å; F301-F358 AromaticContact CZ-CG 3.89Å; F301-F358 HydrophobicContact CZ-CG 3.89Å; F301-F358 PolarHBondContact N-O 3.49Å; F301-F358 PolarHBondContact O-N 3.45Å; F301-Y360 AromaticContact CD1-CE2 3.97Å; F301-Y360 HydrophobicContact CD1-CE2 3.97Å; F301-Y360 AromaticContact CE1-CE2 3.78Å; F301-Y360 HydrophobicContact CE1-CE2 3.78Å; F301-F398 HydrophobicContact CD2-CD1 4.42Å; F301-F398 HydrophobicContact CD2-CE1 4.45Å; F301-R399 CarbonylContact C-O 3.57Å; F301-R399 VanDerWaalsContact CA-O 3.3Å; F301-R399 WeakPolarHBondContact CA-O 3.29Å; F301-I400 HydrophobicContact CB-CG1 4.18Å; F301-M496 HydrophobicContact CZ-CE 4.44Å
302	E	94.9	Very high	92.3	Very high	39 Å²	39	52.2 Å²	52.2	18%	0.182	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.3	177.7	64.1	-173.4	-174.5	0	0	110.5	T357 F398 R399	E302-T357 HydrophobicContact CB-CG2 4.13Å; E302-F398 WeakPolarHBondContact O-CA 3.43Å; E302-R399 HydrophobicContact CG-CB 3.8Å; E302-R399 PolarHBondContact N-O 3.44Å; E302-R399 PolarHBondContact O-N 2.92Å; E302-R399 WeakPolarHBondContact OE1-CD 3.37Å; E302-R399 IonicContact OE1-CZ 3.98Å; E302-R399 IonicContact OE1-NE 2.91Å; E302-R399 IonicContact OE1-NH1 3.6Å; E302-R399 PolarHBondContact OE1-NH1 2.83Å
303	P	94.8	Very high	92.2	Very high	32 Å²	32	51.7 Å²	51.7	21%	0.208	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	142.4	176	33.1	-38.7	0	0	0	111.1	I305 M314 W351	P303-I305 HydrophobicContact CB-CD1 4.02Å; P303-I305 HydrophobicContact CB-CG1 4.12Å; P303-M314 HydrophobicContact CB-CE 4.07Å; P303-W351 VanDerWaalsContact CB-CD1 3.43Å; P303-W351 HydrophobicContact CB-CD2 4.05Å; P303-W351 HydrophobicContact CB-CG 3.79Å; P303-W351 VanDerWaalsContact CG-CD1 3.5Å; P303-W351 HydrophobicContact CG-CG 4.34Å
304	L	95.6	Very high	92.5	Very high	26 Å²	26	41.2 Å²	41.2	14%	0.136	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	95.4	167.5	-60.2	178.6	0	0	0	107.3	E266 T268 S396 G397 R399	E266-L304 HydrophobicContact CB-CD1 4.48Å; E266-L304 HydrophobicContact CG-CD1 4.07Å; T268-L304 HydrophobicContact CG2-CD1 4.06Å; L304-S396 CarbonylContact O-C 3.46Å; L304-S396 WeakPolarHBondContact O-CA 3.49Å; L304-S396 VanDerWaalsContact O-CB 3.25Å; L304-S396 WeakPolarHBondContact O-CB 3.44Å; L304-G397 PolarHBondContact N-O 2.84Å; L304-G397 PolarHBondContact O-N 2.89Å; L304-R399 HydrophobicContact CD1-CB 4.11Å; L304-R399 HydrophobicContact CD2-CB 4.19Å; L304-R399 HydrophobicContact CG-CB 4.2Å
305	I	92.7	Very high	92.6	Very high	53 Å²	53	33.6 Å²	33.6	27%	0.272	18%	0.176	S	C	.	.			trans	-98.2	124	-177.3	-52	-58.3	0	0	0	110.1	P303 P308 V311 M314 W351	P303-I305 HydrophobicContact CB-CD1 4.02Å; P303-I305 HydrophobicContact CB-CG1 4.12Å; I305-P308 HydrophobicContact CG2-CB 4.25Å; I305-V311 HydrophobicContact CD1-CB 4.48Å; I305-V311 HydrophobicContact CD1-CG1 4.15Å; I305-V311 HydrophobicContact CG2-CB 4.41Å; I305-V311 HydrophobicContact CG2-CG2 4.35Å; I305-M314 HydrophobicContact CD1-CE 3.38Å; I305-M314 HydrophobicContact CD1-SD 4.05Å; I305-W351 HydrophobicContact CD1-CD2 4.24Å; I305-W351 HydrophobicContact CD1-CE3 4.07Å; I305-W351 HydrophobicContact CD1-CH2 3.61Å; I305-W351 HydrophobicContact CD1-CZ2 3.78Å; I305-W351 HydrophobicContact CD1-CZ3 3.78Å; I305-W351 HydrophobicContact CG1-CH2 4.08Å; I305-W351 HydrophobicContact CG1-CZ2 3.93Å
306	R	92.3	Very high	92.6	Very high	170 Å²	170	28.5 Å²	28.5	64%	0.642	16%	0.157	S	C	*	.	S	Bend	trans	-101.7	-34.6	177.7	-63.8	-60.7	-174.9	-179.4	-1	113.2	P308 N395 S396	R306-P308 VanDerWaalsContact C-CD 3.44Å; R306-P308 WeakPolarHBondContact O-CD 3.44Å; R306-N395 HydrophobicContact CG-CB 4.22Å; R306-S396 PolarHBondContact N-OG 2.98Å
307	T	90	Very high	92.5	Very high	21 Å²	21	29 Å²	29	13%	0.129	16%	0.159	C	C	.	.	S	Bend	trans	-115	72.4	177.9	52.7	0	0	0	0	110.3	I274 G309 I310 V311 D394	I274-T307 HydrophobicContact CD1-CG2 4.15Å; T307-G309 PolarHBondContact O-N 3.23Å; T307-I310 PolarHBondContact O-N 3.45Å; T307-I310 VanDerWaalsContact O-N 3.11Å; T307-V311 PolarHBondContact O-N 3.1Å; T307-V311 WeakPolarHBondContact OG1-CG2 3.18Å; T307-D394 WeakPolarHBondContact CB-OD1 3.23Å; T307-D394 HydrophobicContact CG2-CB 4.32Å; T307-D394 WeakPolarHBondContact CG2-OD1 3.46Å; T307-D394 PolarHBondContact N-OD1 2.78Å; T307-D394 PolarHBondContact OG1-OD1 3.45Å
308	P	85.9	Confident	92.3	Very high	108 Å²	108	29.6 Å²	29.6	70%	0.701	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	137.3	-179.6	26.7	-34.9	0	0	0	110.7	I305 R306 I310	I305-P308 HydrophobicContact CG2-CB 4.25Å; R306-P308 VanDerWaalsContact C-CD 3.44Å; R306-P308 WeakPolarHBondContact O-CD 3.44Å; P308-I310 VanDerWaalsContact C-N 3.3Å
309	G	83.7	Confident	92	Very high	56 Å²	56	29.6 Å²	29.6	58%	0.577	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.3	-16.6	-175.9	0	0	0	0	0	114.8	T307	T307-G309 PolarHBondContact O-N 3.23Å
310	I	89.9	Confident	91.5	Very high	22 Å²	22	32.8 Å²	32.8	11%	0.113	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-44.9	174.1	-64.4	158.4	0	0	0	111	I274 T307 P308 H312 F383 N384 N385 L392	I274-I310 HydrophobicContact CD1-CG2 4.02Å; I274-I310 HydrophobicContact CG2-CG2 4.35Å; T307-I310 PolarHBondContact O-N 3.45Å; T307-I310 VanDerWaalsContact O-N 3.11Å; P308-I310 VanDerWaalsContact C-N 3.3Å; I310-H312 PolarHBondContact O-N 2.91Å; I310-H312 VanDerWaalsContact O-N 3.13Å; I310-F383 HydrophobicContact CG2-CB 4.03Å; I310-F383 HydrophobicContact CG2-CD1 4Å; I310-F383 HydrophobicContact CG2-CG 4.39Å; I310-F383 WeakPolarHBondContact O-CA 3.3Å; I310-N384 PolarHBondContact O-N 3.44Å; I310-N385 HydrophobicContact CG2-CB 4.45Å; I310-L392 HydrophobicContact CD1-CD1 3.57Å; I310-L392 HydrophobicContact CD1-CD2 4.47Å
311	V	91.1	Very high	91.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	113.2	173.8	-173.7	0	0	0	0	109.3	I305 T307 M314 W351 V381 F383	I305-V311 HydrophobicContact CD1-CB 4.48Å; I305-V311 HydrophobicContact CD1-CG1 4.15Å; I305-V311 HydrophobicContact CG2-CB 4.41Å; I305-V311 HydrophobicContact CG2-CG2 4.35Å; T307-V311 PolarHBondContact O-N 3.1Å; T307-V311 WeakPolarHBondContact OG1-CG2 3.18Å; V311-M314 HydrophobicContact CG1-CG 3.54Å; V311-M314 HydrophobicContact CG1-SD 3.8Å; V311-W351 HydrophobicContact CB-CZ3 4.46Å; V311-W351 HydrophobicContact CG1-CE3 4.47Å; V311-W351 HydrophobicContact CG1-CZ3 3.78Å; V311-V381 HydrophobicContact CG1-CG1 3.97Å; V311-F383 HydrophobicContact CG2-CD1 4.23Å; V311-F383 HydrophobicContact CG2-CE1 4Å
312	H	85.7	Confident	90.8	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-46.4	-177	-171.3	-101	0	0	0	112.1	I310 M353 H382 N384	I310-H312 PolarHBondContact O-N 2.91Å; I310-H312 VanDerWaalsContact O-N 3.13Å; H312-M353 VanDerWaalsContact CD2-SD 3.5Å; H312-M353 WeakPolarHBondContact O-CG 3.15Å; H312-M353 PolarHBondContact O-N 2.85Å; H312-M353 VanDerWaalsContact O-N 3.11Å; H312-H382 AromaticContact CG-CE1 3.93Å; H312-H382 AromaticContact CG-ND1 3.89Å; H312-H382 PolarHBondContact N-O 3.42Å; H312-H382 AromaticContact ND1-CE1 3.53Å; H312-H382 AromaticContact ND1-ND1 3.4Å; H312-H382 PolarHBondContact ND1-ND1 3Å; H312-N384 HydrophobicContact CB-CB 4.07Å
313	H	87.3	Confident	90.5	Very high	11 Å²	11	36.7 Å²	36.7	5%	0.051	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	159.7	169.4	61.8	-118.6	0	0	0	111.4	Y281 W351 A352 H382	Y281-H313 AromaticContact CE1-CE1 3.7Å; Y281-H313 AromaticContact CE1-NE2 3.29Å; Y281-H313 VanDerWaalsContact CE1-NE2 3.29Å; Y281-H313 WeakPolarHBondContact CE1-NE2 3.28Å; Y281-H313 AromaticContact CZ-CE1 3.92Å; Y281-H313 AromaticContact CZ-NE2 3.97Å; Y281-H313 PolarHBondContact OH-CE1 3.1Å; H313-W351 CarbonylContact C-O 3.57Å; H313-W351 VanDerWaalsContact CA-O 3.29Å; H313-W351 WeakPolarHBondContact CA-O 3.42Å; H313-W351 WeakPolarHBondContact CB-O 3.35Å; H313-A352 HydrophobicContact CB-CB 4.19Å; H313-H382 WeakPolarHBondContact CD2-CB 3.25Å; H313-H382 WeakPolarHBondContact CE1-CB 3.19Å; H313-H382 AromaticContact CE1-CG 3.5Å; H313-H382 VanDerWaalsContact CE1-CG 3.5Å; H313-H382 AromaticContact CE1-ND1 3Å; H313-H382 PolarHBondContact CE1-ND1 3.15Å; H313-H382 AromaticContact CG-ND1 3.96Å; H313-H382 AromaticContact ND1-CG 3.84Å; H313-H382 AromaticContact ND1-ND1 3.13Å; H313-H382 PolarHBondContact ND1-ND1 3Å; H313-H382 VanDerWaalsContact ND1-ND1 3.13Å; H313-H382 WeakPolarHBondContact NE2-CB 3.47Å; H313-H382 AromaticContact NE2-CG 3.77Å; H313-H382 AromaticContact NE2-ND1 3.73Å; H313-H382 PolarHBondContact O-N 3.26Å
314	M	93.2	Very high	90.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	138.7	177	-56.7	-176.1	-60.5	0	0	110	P303 I305 V311 L350 W351 L379 E380 V381 G397 F398	P303-M314 HydrophobicContact CB-CE 4.07Å; I305-M314 HydrophobicContact CD1-CE 3.38Å; I305-M314 HydrophobicContact CD1-SD 4.05Å; V311-M314 HydrophobicContact CG1-CG 3.54Å; V311-M314 HydrophobicContact CG1-SD 3.8Å; M314-L350 CarbonylContact O-C 3.36Å; M314-W351 HydrophobicContact CB-CE3 4.5Å; M314-W351 HydrophobicContact CE-CB 4.38Å; M314-W351 HydrophobicContact CE-CD2 4.04Å; M314-W351 HydrophobicContact CE-CE3 3.82Å; M314-W351 HydrophobicContact CE-CG 4.31Å; M314-W351 HydrophobicContact CG-CE3 4.17Å; M314-W351 PolarHBondContact N-O 2.74Å; M314-W351 PolarHBondContact O-N 3.27Å; M314-L379 HydrophobicContact CB-CD1 4.43Å; M314-E380 CarbonylContact C-O 3.49Å; M314-E380 VanDerWaalsContact CA-O 3.26Å; M314-E380 WeakPolarHBondContact CA-O 3.38Å; M314-V381 HydrophobicContact CB-CG2 4.34Å; M314-V381 HydrophobicContact CG-CB 4.38Å; M314-V381 HydrophobicContact CG-CG1 4.02Å; M314-V381 HydrophobicContact CG-CG2 3.87Å; M314-V381 HydrophobicContact SD-CG2 4.27Å; M314-G397 WeakPolarHBondContact CE-O 3.33Å; M314-F398 HydrophobicContact CB-CE2 3.63Å; M314-F398 HydrophobicContact CB-CZ 3.74Å; M314-F398 HydrophobicContact CE-CE1 4.28Å; M314-F398 HydrophobicContact CE-CE2 4.23Å; M314-F398 HydrophobicContact CE-CZ 4.02Å; M314-F398 WeakPolarHBondContact O-CZ 3.34Å
315	E	92.4	Very high	90	Very high	22 Å²	22	46.2 Å²	46.2	10%	0.103	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	142.4	178.8	-64	-172.9	-162.7	0	0	110.9	F317 V349 L350 L379 E380 Y540	E315-F317 HydrophobicContact CB-CD2 4.43Å; E315-F317 HydrophobicContact CB-CE2 3.7Å; E315-F317 HydrophobicContact CB-CZ 3.87Å; E315-F317 WeakPolarHBondContact OE2-CZ 3.49Å; E315-V349 CarbonylContact C-O 3.59Å; E315-V349 WeakPolarHBondContact CA-O 3.23Å; E315-L350 HydrophobicContact CG-CB 4.32Å; E315-L350 HydrophobicContact CG-CD2 4.23Å; E315-L350 HydrophobicContact CG-CG 4.36Å; E315-L379 CarbonylContact O-C 3.51Å; E315-L379 WeakPolarHBondContact O-CA 3.43Å; E315-E380 PolarHBondContact N-O 2.85Å; E315-E380 PolarHBondContact O-N 3.35Å; E315-Y540 PolarHBondContact OE1-OH 3.4Å
316	V	95.4	Very high	90.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.6	172.1	-179.5	0	0	0	0	108.5	I267 M348 V349 V377 R378 L379 F398	I267-V316 HydrophobicContact CD1-CG1 3.88Å; I267-V316 HydrophobicContact CD1-CG2 4.37Å; I267-V316 HydrophobicContact CG2-CG1 4.45Å; I267-V316 HydrophobicContact CG2-CG2 4.05Å; V316-M348 HydrophobicContact CG1-CB 4.41Å; V316-M348 HydrophobicContact CG1-SD 4.32Å; V316-M348 WeakPolarHBondContact O-CB 3.34Å; V316-M348 PolarHBondContact O-N 3.49Å; V316-V349 HydrophobicContact CB-CB 4.07Å; V316-V349 HydrophobicContact CG2-CB 4.21Å; V316-V349 PolarHBondContact N-O 2.74Å; V316-V349 PolarHBondContact O-N 2.91Å; V316-V377 HydrophobicContact CG1-CB 3.92Å; V316-V377 HydrophobicContact CG1-CG1 4.2Å; V316-V377 HydrophobicContact CG1-CG2 4.27Å; V316-R378 CarbonylContact C-O 3.52Å; V316-R378 WeakPolarHBondContact CA-O 3.29Å; V316-L379 HydrophobicContact CG2-CD1 3.97Å; V316-F398 HydrophobicContact CG2-CD2 3.54Å; V316-F398 HydrophobicContact CG2-CE2 3.83Å
317	F	92.7	Very high	90.1	Very high	16 Å²	16	42.9 Å²	42.9	7%	0.07	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.5	175.6	-56.4	-86.5	0	0	0	111.2	E315 C344 S345 K346 V347 V377 R378 E380	E315-F317 HydrophobicContact CB-CD2 4.43Å; E315-F317 HydrophobicContact CB-CE2 3.7Å; E315-F317 HydrophobicContact CB-CZ 3.87Å; E315-F317 WeakPolarHBondContact OE2-CZ 3.49Å; F317-C344 HydrophobicContact CB-CB 4.22Å; F317-C344 VanDerWaalsContact CB-O 3.31Å; F317-C344 WeakPolarHBondContact CB-O 3.26Å; F317-S345 WeakPolarHBondContact CD1-O 3.39Å; F317-K346 CarbonylContact C-O 3.6Å; F317-K346 VanDerWaalsContact CA-O 3.22Å; F317-K346 WeakPolarHBondContact CA-O 3.44Å; F317-V347 HydrophobicContact CD1-CG2 3.98Å; F317-V347 HydrophobicContact CE1-CG2 3.69Å; F317-V377 CarbonylContact O-C 3.48Å; F317-V377 WeakPolarHBondContact O-CA 3.39Å; F317-V377 WeakPolarHBondContact O-CB 3.38Å; F317-R378 HydrophobicContact CB-CB 4.46Å; F317-R378 PolarHBondContact N-O 2.8Å; F317-R378 PolarHBondContact O-N 2.92Å; F317-E380 HydrophobicContact CD2-CB 4.36Å; F317-E380 HydrophobicContact CE2-CB 3.84Å
318	H	93.7	Very high	90.3	Very high	16 Å²	16	44.3 Å²	44.3	7%	0.074	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	137.5	168.4	-174.6	-145.9	0	0	0	110.7	E320 C344 K346 M348 F373 N374 Y376	H318-E320 PolarHBondContact O-N 3.19Å; H318-C344 WeakPolarHBondContact O-CA 3.34Å; H318-K346 HydrophobicContact CB-CB 4.1Å; H318-K346 HydrophobicContact CB-CD 4.34Å; H318-K346 HydrophobicContact CB-CG 4.35Å; H318-K346 PolarHBondContact N-O 3.41Å; H318-K346 PolarHBondContact O-N 2.85Å; H318-M348 HydrophobicContact CB-CG 3.72Å; H318-M348 HydrophobicContact CB-SD 3.57Å; H318-M348 VanDerWaalsContact CB-SD 3.57Å; H318-F373 AromaticContact CD2-CE2 3.87Å; H318-F373 AromaticContact CD2-CZ 3.87Å; H318-F373 AromaticContact CE1-CD2 3.68Å; H318-F373 AromaticContact CE1-CE2 3.42Å; H318-F373 VanDerWaalsContact CE1-CE2 3.42Å; H318-F373 WeakPolarHBondContact CE1-CE2 3.33Å; H318-F373 AromaticContact ND1-CE2 3.97Å; H318-F373 AromaticContact NE2-CD2 3.8Å; H318-F373 AromaticContact NE2-CE2 3.34Å; H318-F373 VanDerWaalsContact NE2-CE2 3.34Å; H318-F373 WeakPolarHBondContact NE2-CE2 3.35Å; H318-F373 AromaticContact NE2-CZ 3.58Å; H318-N374 PolarHBondContact CD2-O 3.37Å; H318-N374 PolarHBondContact NE2-O 2.63Å; H318-Y376 PolarHBondContact CD2-O 2.86Å
319	C	91.6	Very high	90.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	102.4	171.1	-46.6	0	0	0	0	109.8	A321 I327 I343 C344 N374 Y376	C319-A321 VanDerWaalsContact C-N 3.33Å; C319-A321 PolarHBondContact O-N 3.41Å; C319-I327 HydrophobicContact CB-CG1 4.01Å; C319-I343 HydrophobicContact CB-CG2 4.29Å; C319-C344 HydrophobicContact CB-CB 4.01Å; C319-C344 WeakPolarHBondContact CB-SG 3.28Å; C319-C344 WeakPolarHBondContact SG-CB 3.47Å; C319-C344 CovalentContact SG-SG 2.03Å; C319-C344 PolarHBondContact SG-SG 3.48Å; C319-N374 WeakPolarHBondContact O-CB 3.36Å; C319-Y376 WeakPolarHBondContact CB-O 3.34Å; C319-Y376 PolarHBondContact N-O 3.42Å; C319-Y376 VanDerWaalsContact N-O 3.1Å; C319-Y376 PolarHBondContact SG-O 3.04Å
320	E	86.4	Confident	91.3	Very high	67 Å²	67	44.2 Å²	44.2	31%	0.313	23%	0.226	S	C	.	.			trans	-76.9	84.2	175.8	-69.6	-160.5	137.6	0	0	110.8	H318 I343 K346 S616	H318-E320 PolarHBondContact O-N 3.19Å; E320-I343 VanDerWaalsContact O-CD1 3.31Å; E320-I343 WeakPolarHBondContact O-CD1 3.44Å; E320-K346 HydrophobicContact CG-CB 4.17Å; E320-K346 HydrophobicContact CG-CD 3.81Å; E320-K346 WeakPolarHBondContact OE1-CD 3.21Å; E320-K346 IonicContact OE1-NZ 2.97Å; E320-K346 PolarHBondContact OE1-NZ 3.17Å; E320-S616 VanDerWaalsContact OE2-C 3.31Å; E320-S616 WeakPolarHBondContact OE2-CB 3.31Å
321	A	89.2	Confident	91.6	Very high	19 Å²	19	46.2 Å²	46.2	16%	0.157	24%	0.237	C	C	.	.			trans	-126.5	177.3	176.2	0	0	0	0	0	111	C319 E325 I327	C319-A321 VanDerWaalsContact C-N 3.33Å; C319-A321 PolarHBondContact O-N 3.41Å; A321-E325 HydrophobicContact CB-CB 4.17Å; A321-E325 HydrophobicContact CB-CG 4.34Å; A321-I327 HydrophobicContact CB-CD1 3.9Å
322	G	88.7	Confident	91.8	Very high	37 Å²	37	46.5 Å²	46.5	38%	0.381	24%	0.24	S	C	.	.			trans	-59.1	150.5	175.3	0	0	0	0	0	112.3	H324 E325 N374	G322-H324 PolarHBondContact O-N 2.81Å; G322-E325 PolarHBondContact N-OE2 2.84Å; G322-E325 WeakPolarHBondContact O-CB 3.4Å; G322-E325 PolarHBondContact O-N 2.83Å; G322-N374 PolarHBondContact O-ND2 3.42Å
323	E	87.7	Confident	92.1	Very high	90 Å²	90	48 Å²	48	42%	0.421	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-34	-175.8	-172.4	178.4	155.7	0	0	113.9	G372	E323-G372 WeakPolarHBondContact OE2-CA 3.11Å; E323-G372 PolarHBondContact OE2-N 3Å
324	H	89.9	Confident	92.3	Very high	167 Å²	167	48.5 Å²	48.5	77%	0.773	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	8.1	-178.5	-54.7	-36.2	0	0	0	113.1	G322	G322-H324 PolarHBondContact O-N 2.81Å
325	E	91.5	Very high	92	Very high	91 Å²	91	56.7 Å²	56.7	43%	0.425	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-79.1	124.8	177.8	-169.6	171.8	171.2	0	0	110.1	A321 G322 N374	A321-E325 HydrophobicContact CB-CB 4.17Å; A321-E325 HydrophobicContact CB-CG 4.34Å; G322-E325 PolarHBondContact N-OE2 2.84Å; G322-E325 WeakPolarHBondContact O-CB 3.4Å; G322-E325 PolarHBondContact O-N 2.83Å; E325-N374 PolarHBondContact O-ND2 3.26Å
326	E	93.1	Very high	92	Very high	149 Å²	149	62.5 Å²	62.5	70%	0.696	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-85.9	127	177.9	-66.3	-172.3	167.3	0	0	111
327	I	93.7	Very high	91.6	Very high	4 Å²	4	63 Å²	63	2%	0.021	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-94.6	132.7	171.7	-51.2	-56	0	0	0	108.5	V285 C319 A321 L329 A341 I343 Y376	V285-I327 HydrophobicContact CG1-CG2 4.01Å; C319-I327 HydrophobicContact CB-CG1 4.01Å; A321-I327 HydrophobicContact CB-CD1 3.9Å; I327-L329 PolarHBondContact O-N 3Å; I327-A341 HydrophobicContact CG2-CB 4.31Å; I327-I343 HydrophobicContact CD1-CG2 4.25Å; I327-Y376 HydrophobicContact CB-CD1 3.81Å; I327-Y376 HydrophobicContact CB-CD2 4.16Å; I327-Y376 HydrophobicContact CB-CE1 4.36Å; I327-Y376 HydrophobicContact CB-CG 3.68Å; I327-Y376 HydrophobicContact CG1-CD2 4.04Å; I327-Y376 HydrophobicContact CG1-CG 3.87Å; I327-Y376 WeakPolarHBondContact O-CD1 3.09Å; I327-Y376 WeakPolarHBondContact O-CE1 3.36Å
328	P	93.6	Very high	91.4	Very high	51 Å²	51	64.1 Å²	64.1	33%	0.331	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-57.3	126.3	177.1	-24	33.6	0	0	0	111.4	V285 R340	V285-P328 WeakPolarHBondContact CG1-O 3.47Å; P328-R340 HydrophobicContact CG-CB 4.23Å
329	L	95.6	Very high	91	Very high	118 Å²	118	68.7 Å²	68.7	62%	0.618	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-63.6	144.4	169.8	-58.3	179.6	0	0	0	109.5	V285 R287 I327 Y376	V285-L329 WeakPolarHBondContact O-CA 3.35Å; V285-L329 WeakPolarHBondContact O-CD2 3.4Å; R287-L329 HydrophobicContact CB-CD2 4.5Å; I327-L329 PolarHBondContact O-N 3Å; L329-Y376 HydrophobicContact CD2-CD1 4.16Å; L329-Y376 HydrophobicContact CD2-CE1 3.78Å
330	Y	95.7	Very high	90.7	Very high	44 Å²	44	76.7 Å²	76.7	17%	0.173	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	144.5	-175.7	-173.9	-102	0	0	0	109.9	C283 H284 V285 D333 Q336 L337 P338	C283-Y330 HydrophobicContact CB-CD1 4.13Å; C283-Y330 HydrophobicContact CB-CE1 4.2Å; C283-Y330 WeakPolarHBondContact O-CD1 3.42Å; H284-Y330 CarbonylContact C-O 3.58Å; H284-Y330 VanDerWaalsContact CA-O 3.27Å; H284-Y330 WeakPolarHBondContact CA-O 3.42Å; V285-Y330 PolarHBondContact N-O 2.79Å; V285-Y330 PolarHBondContact O-N 2.93Å; Y330-D333 WeakPolarHBondContact CE1-O 3.47Å; Y330-D333 PolarHBondContact OH-N 3.01Å; Y330-D333 PolarHBondContact OH-O 2.91Å; Y330-Q336 WeakPolarHBondContact OH-CB 3.47Å; Y330-L337 HydrophobicContact CD1-CD1 3.56Å; Y330-L337 HydrophobicContact CE1-CD1 4.08Å; Y330-L337 HydrophobicContact CG-CD1 4.05Å; Y330-P338 HydrophobicContact CD2-CG 4.01Å
331	N	95.3	Very high	90.7	Very high	64 Å²	64	73.5 Å²	73.5	34%	0.342	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	100.6	174.7	-174.7	9.7	0	0	0	107.3	Q270 W282 C283 H284	Q270-N331 PolarHBondContact O-ND2 2.89Å; W282-N331 PolarHBondContact NE1-OD1 2.99Å; C283-N331 WeakPolarHBondContact O-CA 3.47Å; H284-N331 VanDerWaalsContact CD2-CG 3.49Å
332	G	94.9	Very high	90.4	Very high	7 Å²	7	78.5 Å²	78.5	7%	0.072	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.8	-167.3	-169.7	0	0	0	0	0	113.6	W282 C283 C334	W282-G332 VanDerWaalsContact CZ2-CA 3.43Å; C283-G332 PolarHBondContact N-O 2.76Å; C283-G332 PolarHBondContact O-N 2.81Å; G332-C334 PolarHBondContact O-N 2.82Å
333	D	92.9	Very high	90.2	Very high	34 Å²	34	80 Å²	80	18%	0.182	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	129.6	176.8	-166.7	-52.8	0	0	0	112	Y330 E335 Q336	Y330-D333 WeakPolarHBondContact CE1-O 3.47Å; Y330-D333 PolarHBondContact OH-N 3.01Å; Y330-D333 PolarHBondContact OH-O 2.91Å; D333-E335 PolarHBondContact O-N 2.93Å; D333-E335 VanDerWaalsContact OD1-CB 3.28Å; D333-E335 WeakPolarHBondContact OD1-CB 3.29Å; D333-E335 WeakPolarHBondContact OD1-CG 3.49Å; D333-E335 PolarHBondContact OD1-N 2.79Å; D333-Q336 PolarHBondContact O-N 3.2Å; D333-Q336 VanDerWaalsContact O-N 3.07Å
334	C	91	Very high	90.2	Very high	23 Å²	23	75.7 Å²	75.7	16%	0.155	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-61	-26.6	179	-67.6	0	0	0	0	114	Y281 C283 G332 Q336 L337	Y281-C334 WeakPolarHBondContact O-CB 3.08Å; Y281-C334 PolarHBondContact O-N 3.14Å; Y281-C334 PolarHBondContact O-SG 2.87Å; Y281-C334 VanDerWaalsContact O-SG 3.36Å; C283-C334 VanDerWaalsContact CA-SG 3.54Å; C283-C334 HydrophobicContact CB-CB 4.04Å; C283-C334 WeakPolarHBondContact CB-SG 3.47Å; C283-C334 PolarHBondContact N-SG 2.88Å; C283-C334 VanDerWaalsContact SG-CA 3.52Å; C283-C334 WeakPolarHBondContact SG-CB 3.35Å; C283-C334 CovalentContact SG-SG 2.03Å; C283-C334 PolarHBondContact SG-SG 3.36Å; G332-C334 PolarHBondContact O-N 2.82Å; C334-Q336 PolarHBondContact O-N 2.99Å; C334-L337 WeakPolarHBondContact O-CB 3.3Å; C334-L337 PolarHBondContact O-N 2.83Å; C334-L337 VanDerWaalsContact O-N 3.17Å
335	E	87.7	Confident	89.9	Confident	171 Å²	171	70.2 Å²	70.2	80%	0.799	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-64.5	-30.8	175.8	-64.4	-170.1	168.1	0	0	111.9	D333 L337	D333-E335 PolarHBondContact O-N 2.93Å; D333-E335 VanDerWaalsContact OD1-CB 3.28Å; D333-E335 WeakPolarHBondContact OD1-CB 3.29Å; D333-E335 WeakPolarHBondContact OD1-CG 3.49Å; D333-E335 PolarHBondContact OD1-N 2.79Å; E335-L337 VanDerWaalsContact C-N 3.3Å
336	Q	90.9	Very high	89.7	Confident	145 Å²	145	69.1 Å²	69.1	68%	0.678	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-93	10.6	179.6	-59.6	178.7	15.2	0	0	112.4	Y330 D333 C334	Y330-Q336 WeakPolarHBondContact OH-CB 3.47Å; D333-Q336 PolarHBondContact O-N 3.2Å; D333-Q336 VanDerWaalsContact O-N 3.07Å; C334-Q336 PolarHBondContact O-N 2.99Å
337	L	87	Confident	89.5	Confident	10 Å²	10	62.2 Å²	62.2	5%	0.052	32%	0.315	C	S	.	.			trans	-59.7	126.4	-179.1	-170.7	70.7	0	0	0	110.9	C283 V285 Y330 C334 E335 A341 K342	C283-L337 HydrophobicContact CB-CD1 4.03Å; V285-L337 HydrophobicContact CG2-CD1 3.94Å; Y330-L337 HydrophobicContact CD1-CD1 3.56Å; Y330-L337 HydrophobicContact CE1-CD1 4.08Å; Y330-L337 HydrophobicContact CG-CD1 4.05Å; C334-L337 WeakPolarHBondContact O-CB 3.3Å; C334-L337 PolarHBondContact O-N 2.83Å; C334-L337 VanDerWaalsContact O-N 3.17Å; E335-L337 VanDerWaalsContact C-N 3.3Å; L337-A341 HydrophobicContact CD1-CB 3.73Å; L337-A341 HydrophobicContact CD2-CB 4.25Å; L337-A341 HydrophobicContact CG-CB 3.83Å; L337-K342 HydrophobicContact CD2-CG 4.12Å; L337-K342 HydrophobicContact CG-CG 4.46Å; L337-K342 WeakPolarHBondContact O-CE 3.32Å
338	P	88.7	Confident	89.4	Confident	39 Å²	39	62.4 Å²	62.4	25%	0.253	32%	0.316	S	S	.	.			trans	-57	141.8	179.3	-27	35.1	0	0	0	112	Y330 R340 A341 K342	Y330-P338 HydrophobicContact CD2-CG 4.01Å; P338-R340 PolarHBondContact O-N 2.92Å; P338-A341 PolarHBondContact O-N 3.06Å; P338-K342 PolarHBondContact O-N 2.97Å
339	P	85.6	Confident	89.3	Confident	112 Å²	112	60 Å²	60	73%	0.727	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-52.1	-35.4	-177.6	-29.8	35.2	0	0	0	114.7	A341 K342	P339-A341 VanDerWaalsContact C-N 3.34Å; P339-A341 PolarHBondContact O-N 2.53Å; P339-K342 WeakPolarHBondContact O-CB 3.31Å; P339-K342 PolarHBondContact O-N 2.93Å
340	R	85.7	Confident	89	Confident	169 Å²	169	54.5 Å²	54.5	64%	0.638	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-68.1	-28.6	176.4	-78.2	-167.4	173.7	172.6	-1.3	114.1	P328 P338 K342 I343	P328-R340 HydrophobicContact CG-CB 4.23Å; P338-R340 PolarHBondContact O-N 2.92Å; R340-K342 VanDerWaalsContact C-N 3.3Å; R340-I343 WeakPolarHBondContact O-CG2 2.96Å
341	A	86.1	Confident	88.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-81.4	-11.6	175.6	0	0	0	0	0	112.7	V285 I327 L337 P338 P339 I343 C344	V285-A341 HydrophobicContact CG2-CB 3.85Å; I327-A341 HydrophobicContact CG2-CB 4.31Å; L337-A341 HydrophobicContact CD1-CB 3.73Å; L337-A341 HydrophobicContact CD2-CB 4.25Å; L337-A341 HydrophobicContact CG-CB 3.83Å; P338-A341 PolarHBondContact O-N 3.06Å; P339-A341 VanDerWaalsContact C-N 3.34Å; P339-A341 PolarHBondContact O-N 2.53Å; A341-I343 PolarHBondContact O-N 2.86Å; A341-C344 WeakPolarHBondContact O-CB 3.25Å; A341-C344 PolarHBondContact O-N 2.75Å; A341-C344 PolarHBondContact O-SG 2.94Å
342	K	83.2	Confident	88.3	Confident	123 Å²	123	50.3 Å²	50.3	54%	0.535	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-69.8	-14.5	174.3	-60.2	-172.8	178.8	-168.2	0	113.1	L337 P338 P339 R340 C344	L337-K342 HydrophobicContact CD2-CG 4.12Å; L337-K342 HydrophobicContact CG-CG 4.46Å; L337-K342 WeakPolarHBondContact O-CE 3.32Å; P338-K342 PolarHBondContact O-N 2.97Å; P339-K342 WeakPolarHBondContact O-CB 3.31Å; P339-K342 PolarHBondContact O-N 2.93Å; R340-K342 VanDerWaalsContact C-N 3.3Å; K342-C344 PolarHBondContact O-N 2.92Å
343	I	85	Confident	87.5	Confident	69 Å²	69	52 Å²	52	35%	0.354	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-68.2	-17.4	172.9	-159.5	170.6	0	0	0	112.9	C319 E320 I327 R340 A341 S345	C319-I343 HydrophobicContact CB-CG2 4.29Å; E320-I343 VanDerWaalsContact O-CD1 3.31Å; E320-I343 WeakPolarHBondContact O-CD1 3.44Å; I327-I343 HydrophobicContact CD1-CG2 4.25Å; R340-I343 WeakPolarHBondContact O-CG2 2.96Å; A341-I343 PolarHBondContact O-N 2.86Å; I343-S345 PolarHBondContact O-N 2.65Å; I343-S345 PolarHBondContact O-OG 2.88Å
344	C	87.9	Confident	86.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	81.2	175.9	-42.7	0	0	0	0	108.7	F317 H318 C319 A341 K342 R378	F317-C344 HydrophobicContact CB-CB 4.22Å; F317-C344 VanDerWaalsContact CB-O 3.31Å; F317-C344 WeakPolarHBondContact CB-O 3.26Å; H318-C344 WeakPolarHBondContact O-CA 3.34Å; C319-C344 HydrophobicContact CB-CB 4.01Å; C319-C344 WeakPolarHBondContact CB-SG 3.28Å; C319-C344 WeakPolarHBondContact SG-CB 3.47Å; C319-C344 CovalentContact SG-SG 2.03Å; C319-C344 PolarHBondContact SG-SG 3.48Å; A341-C344 WeakPolarHBondContact O-CB 3.25Å; A341-C344 PolarHBondContact O-N 2.75Å; A341-C344 PolarHBondContact O-SG 2.94Å; K342-C344 PolarHBondContact O-N 2.92Å; C344-R378 HydrophobicContact CB-CB 3.8Å; C344-R378 PolarHBondContact O-NH1 2.78Å
345	S	83.4	Confident	86.3	Confident	52 Å²	52	51.6 Å²	51.6	36%	0.364	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-11.6	-177.9	52.9	0	0	0	0	113	F317 I343 V347 S616	F317-S345 WeakPolarHBondContact CD1-O 3.39Å; I343-S345 PolarHBondContact O-N 2.65Å; I343-S345 PolarHBondContact O-OG 2.88Å; S345-V347 PolarHBondContact O-N 3.14Å; S345-S616 PolarHBondContact OG-O 3.36Å
346	K	87	Confident	86.1	Confident	67 Å²	67	45.2 Å²	45.2	29%	0.291	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	111.1	-174.8	176.5	176	-173	174.8	0	112.1	F317 H318 E320 M348 E550	F317-K346 CarbonylContact C-O 3.6Å; F317-K346 VanDerWaalsContact CA-O 3.22Å; F317-K346 WeakPolarHBondContact CA-O 3.44Å; H318-K346 HydrophobicContact CB-CB 4.1Å; H318-K346 HydrophobicContact CB-CD 4.34Å; H318-K346 HydrophobicContact CB-CG 4.35Å; H318-K346 PolarHBondContact N-O 3.41Å; H318-K346 PolarHBondContact O-N 2.85Å; E320-K346 HydrophobicContact CG-CB 4.17Å; E320-K346 HydrophobicContact CG-CD 3.81Å; E320-K346 WeakPolarHBondContact OE1-CD 3.21Å; E320-K346 IonicContact OE1-NZ 2.97Å; E320-K346 PolarHBondContact OE1-NZ 3.17Å; K346-M348 PolarHBondContact O-N 3.18Å; K346-E550 WeakPolarHBondContact CA-OE1 3.37Å
347	V	88.3	Confident	86.1	Confident	5 Å²	5	41.7 Å²	41.7	3%	0.03	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	123.3	-176.5	-179.4	0	0	0	0	111.2	F317 S345 L350 V413 E550	F317-V347 HydrophobicContact CD1-CG2 3.98Å; F317-V347 HydrophobicContact CE1-CG2 3.69Å; S345-V347 PolarHBondContact O-N 3.14Å; V347-L350 HydrophobicContact CG1-CD1 3.41Å; V347-L350 VanDerWaalsContact CG1-CD1 3.41Å; V347-L350 HydrophobicContact CG1-CD2 3.67Å; V347-L350 HydrophobicContact CG1-CG 3.5Å; V347-L350 VanDerWaalsContact CG1-CG 3.5Å; V347-V413 HydrophobicContact CB-CB 4.44Å; V347-V413 HydrophobicContact CG1-CB 4.32Å; V347-V413 HydrophobicContact CG1-CG1 4.12Å; V347-V413 HydrophobicContact CG1-CG2 4.47Å; V347-E550 PolarHBondContact N-OE1 3.11Å
348	M	91.3	Very high	86.5	Confident	8 Å²	8	41.3 Å²	41.3	4%	0.039	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-49.4	175	-66.7	-178.5	65.8	0	0	112.8	I298 V316 H318 K346 L366 I368 V377	I298-M348 HydrophobicContact CD1-CE 3.92Å; V316-M348 HydrophobicContact CG1-CB 4.41Å; V316-M348 HydrophobicContact CG1-SD 4.32Å; V316-M348 WeakPolarHBondContact O-CB 3.34Å; V316-M348 PolarHBondContact O-N 3.49Å; H318-M348 HydrophobicContact CB-CG 3.72Å; H318-M348 HydrophobicContact CB-SD 3.57Å; H318-M348 VanDerWaalsContact CB-SD 3.57Å; K346-M348 PolarHBondContact O-N 3.18Å; M348-L366 HydrophobicContact CB-CD2 4.22Å; M348-L366 WeakPolarHBondContact O-CD2 3.37Å; M348-I368 HydrophobicContact CE-CD1 3.84Å; M348-I368 HydrophobicContact CE-CG1 4.19Å; M348-V377 HydrophobicContact SD-CG1 3.84Å
349	V	92	Very high	86.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	136	-172.7	-177.4	0	0	0	0	108.2	F301 E315 V316 F398 I400	F301-V349 HydrophobicContact CB-CG1 3.96Å; F301-V349 HydrophobicContact CD1-CG1 3.89Å; F301-V349 HydrophobicContact CD1-CG2 4.16Å; F301-V349 HydrophobicContact CD2-CG1 3.41Å; F301-V349 VanDerWaalsContact CD2-CG1 3.41Å; F301-V349 HydrophobicContact CE1-CG1 4.18Å; F301-V349 HydrophobicContact CE2-CG1 3.74Å; F301-V349 HydrophobicContact CG-CG1 3.49Å; F301-V349 VanDerWaalsContact CG-CG1 3.49Å; F301-V349 HydrophobicContact CG-CG2 4.35Å; F301-V349 HydrophobicContact CZ-CG1 4.11Å; E315-V349 CarbonylContact C-O 3.59Å; E315-V349 WeakPolarHBondContact CA-O 3.23Å; V316-V349 HydrophobicContact CB-CB 4.07Å; V316-V349 HydrophobicContact CG2-CB 4.21Å; V316-V349 PolarHBondContact N-O 2.74Å; V316-V349 PolarHBondContact O-N 2.91Å; V349-F398 HydrophobicContact CG1-CD1 3.47Å; V349-F398 VanDerWaalsContact CG1-CD1 3.47Å; V349-F398 HydrophobicContact CG1-CD2 4.16Å; V349-F398 HydrophobicContact CG1-CE1 3.43Å; V349-F398 VanDerWaalsContact CG1-CE1 3.43Å; V349-F398 HydrophobicContact CG1-CE2 4.15Å; V349-F398 HydrophobicContact CG1-CG 3.82Å; V349-F398 HydrophobicContact CG1-CZ 3.79Å; V349-I400 HydrophobicContact CG2-CD1 3.9Å; V349-I400 HydrophobicContact CG2-CG1 4.46Å
350	L	89.5	Confident	87.4	Confident	2 Å²	2	35 Å²	35	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148.4	178.2	-43.5	92.8	0	0	0	110.2	F301 M314 E315 V347 V413 M496 Y540	F301-L350 WeakPolarHBondContact CE2-O 3.35Å; M314-L350 CarbonylContact O-C 3.36Å; E315-L350 HydrophobicContact CG-CB 4.32Å; E315-L350 HydrophobicContact CG-CD2 4.23Å; E315-L350 HydrophobicContact CG-CG 4.36Å; V347-L350 HydrophobicContact CG1-CD1 3.41Å; V347-L350 VanDerWaalsContact CG1-CD1 3.41Å; V347-L350 HydrophobicContact CG1-CD2 3.67Å; V347-L350 HydrophobicContact CG1-CG 3.5Å; V347-L350 VanDerWaalsContact CG1-CG 3.5Å; L350-V413 HydrophobicContact CD1-CG1 4.21Å; L350-V413 HydrophobicContact CD1-CG2 4.45Å; L350-M496 HydrophobicContact CB-CE 4.11Å; L350-M496 HydrophobicContact CD1-CE 4.03Å; L350-Y540 HydrophobicContact CD2-CD1 3.31Å; L350-Y540 HydrophobicContact CD2-CD2 4.1Å; L350-Y540 HydrophobicContact CD2-CE1 3.4Å; L350-Y540 VanDerWaalsContact CD2-CE1 3.4Å; L350-Y540 HydrophobicContact CD2-CE2 4.21Å; L350-Y540 HydrophobicContact CD2-CG 3.66Å
351	W	90.9	Very high	87.9	Confident	19 Å²	19	27 Å²	27	7%	0.072	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	143.6	170.2	175	92	0	0	0	110.1	P303 I305 V311 H313 M314 M353 A355 F398	P303-W351 VanDerWaalsContact CB-CD1 3.43Å; P303-W351 HydrophobicContact CB-CD2 4.05Å; P303-W351 HydrophobicContact CB-CG 3.79Å; P303-W351 VanDerWaalsContact CG-CD1 3.5Å; P303-W351 HydrophobicContact CG-CG 4.34Å; I305-W351 HydrophobicContact CD1-CD2 4.24Å; I305-W351 HydrophobicContact CD1-CE3 4.07Å; I305-W351 HydrophobicContact CD1-CH2 3.61Å; I305-W351 HydrophobicContact CD1-CZ2 3.78Å; I305-W351 HydrophobicContact CD1-CZ3 3.78Å; I305-W351 HydrophobicContact CG1-CH2 4.08Å; I305-W351 HydrophobicContact CG1-CZ2 3.93Å; V311-W351 HydrophobicContact CB-CZ3 4.46Å; V311-W351 HydrophobicContact CG1-CE3 4.47Å; V311-W351 HydrophobicContact CG1-CZ3 3.78Å; H313-W351 CarbonylContact C-O 3.57Å; H313-W351 VanDerWaalsContact CA-O 3.29Å; H313-W351 WeakPolarHBondContact CA-O 3.42Å; H313-W351 WeakPolarHBondContact CB-O 3.35Å; M314-W351 HydrophobicContact CB-CE3 4.5Å; M314-W351 HydrophobicContact CE-CB 4.38Å; M314-W351 HydrophobicContact CE-CD2 4.04Å; M314-W351 HydrophobicContact CE-CE3 3.82Å; M314-W351 HydrophobicContact CE-CG 4.31Å; M314-W351 HydrophobicContact CG-CE3 4.17Å; M314-W351 PolarHBondContact N-O 2.74Å; M314-W351 PolarHBondContact O-N 3.27Å; W351-M353 HydrophobicContact CH2-CG 4.25Å; W351-A355 HydrophobicContact CG-CB 4.41Å; W351-A355 PolarHBondContact NE1-O 3.25Å; W351-F398 HydrophobicContact CB-CE1 3.47Å; W351-F398 VanDerWaalsContact CB-CE1 3.47Å; W351-F398 HydrophobicContact CB-CZ 3.55Å; W351-F398 HydrophobicContact CG-CE1 4.43Å
352	A	84.4	Confident	88.4	Confident	2 Å²	2	30.1 Å²	30.1	2%	0.017	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	163.6	170.2	0	0	0	0	0	109.1	H313 G354 A355 Q494	H313-A352 HydrophobicContact CB-CB 4.19Å; A352-G354 PolarHBondContact O-N 2.81Å; A352-A355 VanDerWaalsContact O-CB 3.28Å; A352-A355 WeakPolarHBondContact O-CB 3.5Å; A352-A355 PolarHBondContact O-N 2.9Å; A352-Q494 HydrophobicContact CB-CB 3.71Å; A352-Q494 HydrophobicContact CB-CG 4.39Å
353	M	79.7	Confident	89	Confident	43 Å²	43	26.4 Å²	26.4	21%	0.212	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	131.6	-179.5	-74.8	-178.1	66.6	0	0	112.6	H312 W351 A355 Q494	H312-M353 VanDerWaalsContact CD2-SD 3.5Å; H312-M353 WeakPolarHBondContact O-CG 3.15Å; H312-M353 PolarHBondContact O-N 2.85Å; H312-M353 VanDerWaalsContact O-N 3.11Å; W351-M353 HydrophobicContact CH2-CG 4.25Å; M353-A355 VanDerWaalsContact C-N 3.32Å; M353-A355 PolarHBondContact O-N 3.25Å; M353-Q494 PolarHBondContact O-N 3.02Å
354	G	76.3	Confident	89.6	Confident	38 Å²	38	23.1 Å²	23.1	39%	0.392	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-14.4	-179.4	0	0	0	0	0	115.2	A352	A352-G354 PolarHBondContact O-N 2.81Å
355	A	80.6	Confident	90.1	Very high	10 Å²	10	23.1 Å²	23.1	8%	0.083	15%	0.147	C	C	.	.			trans	-71	139.8	172.5	0	0	0	0	0	111.9	W351 A352 M353	W351-A355 HydrophobicContact CG-CB 4.41Å; W351-A355 PolarHBondContact NE1-O 3.25Å; A352-A355 VanDerWaalsContact O-CB 3.28Å; A352-A355 WeakPolarHBondContact O-CB 3.5Å; A352-A355 PolarHBondContact O-N 2.9Å; M353-A355 VanDerWaalsContact C-N 3.32Å; M353-A355 PolarHBondContact O-N 3.25Å
356	G	83.9	Confident	90.7	Very high	37 Å²	37	21.2 Å²	21.2	38%	0.381	13%	0.133	S	C	.	.			trans	-100.1	-157.1	172.6	0	0	0	0	0	112.6	F358	G356-F358 PolarHBondContact O-N 3Å
357	T	92	Very high	91.1	Very high	70 Å²	70	19.9 Å²	19.9	43%	0.429	13%	0.131	S	C	.	.			trans	-62.6	129.3	172.3	-54.8	0	0	0	0	111.3	Q300 E302	Q300-T357 HydrophobicContact CG-CG2 3.34Å; E302-T357 HydrophobicContact CB-CG2 4.13Å
358	F	94.4	Very high	91.4	Very high	3 Å²	3	19.6 Å²	19.6	1%	0.013	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.7	174	-173.8	-107.2	0	0	0	110.9	Q300 F301 G356 Y360 F456 M496 H542	Q300-F358 VanDerWaalsContact CA-O 3.25Å; Q300-F358 WeakPolarHBondContact CA-O 3.1Å; Q300-F358 WeakPolarHBondContact CG-O 3.18Å; F301-F358 HydrophobicContact CD1-CD1 4.44Å; F301-F358 HydrophobicContact CD2-CB 4.16Å; F301-F358 HydrophobicContact CE1-CB 4.1Å; F301-F358 AromaticContact CE1-CD1 3.57Å; F301-F358 HydrophobicContact CE1-CD1 3.57Å; F301-F358 HydrophobicContact CE1-CE1 4.47Å; F301-F358 HydrophobicContact CE1-CG 4.26Å; F301-F358 HydrophobicContact CE2-CB 3.6Å; F301-F358 HydrophobicContact CE2-CD1 4.49Å; F301-F358 HydrophobicContact CE2-CG 4.41Å; F301-F358 HydrophobicContact CZ-CB 3.56Å; F301-F358 AromaticContact CZ-CD1 3.6Å; F301-F358 HydrophobicContact CZ-CD1 3.6Å; F301-F358 AromaticContact CZ-CG 3.89Å; F301-F358 HydrophobicContact CZ-CG 3.89Å; F301-F358 PolarHBondContact N-O 3.49Å; F301-F358 PolarHBondContact O-N 3.45Å; G356-F358 PolarHBondContact O-N 3Å; F358-Y360 HydrophobicContact CD1-CD2 4.21Å; F358-Y360 AromaticContact CD1-CE2 3.93Å; F358-Y360 HydrophobicContact CD1-CE2 3.93Å; F358-Y360 HydrophobicContact CE1-CD2 4.22Å; F358-Y360 AromaticContact CE1-CE2 4Å; F358-Y360 HydrophobicContact CE1-CE2 4Å; F358-F456 HydrophobicContact CE1-CE2 4.06Å; F358-F456 HydrophobicContact CZ-CD2 4.27Å; F358-F456 AromaticContact CZ-CE2 3.88Å; F358-F456 HydrophobicContact CZ-CE2 3.88Å; F358-M496 HydrophobicContact CB-CG 4.04Å; F358-M496 HydrophobicContact CD1-CG 4.3Å; F358-M496 HydrophobicContact CD2-CB 4.08Å; F358-M496 HydrophobicContact CD2-CG 3.14Å; F358-M496 HydrophobicContact CD2-SD 4.42Å; F358-M496 HydrophobicContact CE2-CG 3.5Å; F358-M496 HydrophobicContact CE2-SD 4.31Å; F358-M496 HydrophobicContact CG-CG 3.57Å; F358-M496 HydrophobicContact CZ-CG 4.21Å; F358-H542 HydrophobicContact CE1-CB 4.49Å; F358-H542 AromaticContact CE1-CG 3.96Å; F358-H542 AromaticContact CE1-ND1 3.8Å; F358-H542 HydrophobicContact CZ-CB 4.28Å
359	T	95.9	Very high	91.6	Very high	17 Å²	17	19.7 Å²	19.7	10%	0.104	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.3	-175.8	-51.4	0	0	0	0	110.1	I255 I257 Q300	I255-T359 HydrophobicContact CB-CG2 3.95Å; I255-T359 VanDerWaalsContact CD1-O 3.29Å; I255-T359 WeakPolarHBondContact CD1-O 3.19Å; I255-T359 HydrophobicContact CG2-CG2 3.84Å; I257-T359 HydrophobicContact CD1-CG2 4.22Å; I257-T359 HydrophobicContact CG1-CG2 3.81Å; Q300-T359 PolarHBondContact NE2-OG1 3.42Å
360	Y	97	Very high	91.6	Very high	0 Å²	0	20 Å²	20	0%	0	14%	0.135	C	C	.	.			trans	-76.1	146.2	178.4	-75.2	-107.7	0	0	0	110.8	I255 I298 V299 F301 F358 A364 L366 R407 A411 F456 H542	I255-Y360 WeakPolarHBondContact CG2-O 3.42Å; I298-Y360 HydrophobicContact CG2-CE2 4.33Å; V299-Y360 PolarHBondContact O-N 3.33Å; F301-Y360 AromaticContact CD1-CE2 3.97Å; F301-Y360 HydrophobicContact CD1-CE2 3.97Å; F301-Y360 AromaticContact CE1-CE2 3.78Å; F301-Y360 HydrophobicContact CE1-CE2 3.78Å; F358-Y360 HydrophobicContact CD1-CD2 4.21Å; F358-Y360 AromaticContact CD1-CE2 3.93Å; F358-Y360 HydrophobicContact CD1-CE2 3.93Å; F358-Y360 HydrophobicContact CE1-CD2 4.22Å; F358-Y360 AromaticContact CE1-CE2 4Å; F358-Y360 HydrophobicContact CE1-CE2 4Å; Y360-A364 WeakPolarHBondContact CB-O 3.43Å; Y360-L366 HydrophobicContact CE1-CB 3.78Å; Y360-R407 VanDerWaalsContact C-NH1 3.27Å; Y360-R407 PolarHBondContact O-NH1 2.9Å; Y360-A411 HydrophobicContact CD1-CB 3.82Å; Y360-A411 HydrophobicContact CE1-CB 3.6Å; Y360-F456 AromaticContact CD1-CE2 3.9Å; Y360-F456 HydrophobicContact CD1-CE2 3.9Å; Y360-F456 AromaticContact CD1-CZ 3.55Å; Y360-F456 HydrophobicContact CD1-CZ 3.55Å; Y360-F456 HydrophobicContact CE1-CE2 4.26Å; Y360-F456 AromaticContact CE1-CZ 3.76Å; Y360-F456 HydrophobicContact CE1-CZ 3.76Å; Y360-F456 HydrophobicContact CG-CE2 4.46Å; Y360-H542 AromaticContact CZ-ND1 3.94Å; Y360-H542 PolarHBondContact OH-ND1 3.34Å
361	P	96.8	Very high	91.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	17%	0.173	C	C	.	.			trans	-71.2	153.5	-177.9	34.5	-39.3	0	0	0	111.9	I255 E363 A364 R407 F456 Y544	I255-P361 HydrophobicContact CD1-CB 4.14Å; P361-E363 WeakPolarHBondContact CB-OE2 3.45Å; P361-E363 HydrophobicContact CG-CG 4.43Å; P361-E363 PolarHBondContact O-N 3.11Å; P361-A364 HydrophobicContact CG-CB 4.36Å; P361-A364 PolarHBondContact O-N 2.98Å; P361-R407 VanDerWaalsContact C-NH1 3.34Å; P361-R407 PolarHBondContact O-NH1 2.76Å; P361-F456 VanDerWaalsContact CD-CD2 3.44Å; P361-F456 VanDerWaalsContact CD-CE2 3.41Å; P361-F456 HydrophobicContact CG-CB 4.31Å; P361-F456 HydrophobicContact CG-CD1 4.26Å; P361-F456 HydrophobicContact CG-CD2 3.85Å; P361-F456 HydrophobicContact CG-CE2 4.19Å; P361-F456 HydrophobicContact CG-CG 3.88Å; P361-Y544 HydrophobicContact CG-CE1 4.29Å
362	P	96.2	Very high	91.6	Very high	66 Å²	66	27.2 Å²	27.2	43%	0.429	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.9	-171.8	-26.8	36.3	0	0	0	115.1	I255 P258 R407	I255-P362 HydrophobicContact CG2-CG 4.43Å; P258-P362 HydrophobicContact CG-CB 4.36Å; P362-R407 VanDerWaalsContact O-CD 3.25Å; P362-R407 WeakPolarHBondContact O-CD 3.15Å; P362-R407 WeakPolarHBondContact O-CG 3.31Å
363	E	96.6	Very high	92	Very high	45 Å²	45	28.5 Å²	28.5	21%	0.21	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.7	178	65.3	-89.4	-159.4	0	0	114.8	P361 Q408 Y409 K502 Y544	P361-E363 WeakPolarHBondContact CB-OE2 3.45Å; P361-E363 HydrophobicContact CG-CG 4.43Å; P361-E363 PolarHBondContact O-N 3.11Å; E363-Q408 PolarHBondContact O-N 2.92Å; E363-Y409 HydrophobicContact CB-CD2 4.38Å; E363-Y409 PolarHBondContact O-N 3.38Å; E363-K502 IonicContact OE1-NZ 3.19Å; E363-K502 PolarHBondContact OE1-NZ 3.48Å; E363-Y544 HydrophobicContact CG-CD1 4.4Å; E363-Y544 HydrophobicContact CG-CE1 3.62Å; E363-Y544 HydrophobicContact CG-CE2 4.05Å; E363-Y544 VanDerWaalsContact CG-CZ 3.42Å; E363-Y544 WeakPolarHBondContact CG-OH 3.44Å; E363-Y544 PolarHBondContact OE1-OH 2.66Å
364	A	98	Very high	92.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	149.7	-172.6	0	0	0	0	0	114.2	Y360 P361 R407 Y409 A411 Y544	Y360-A364 WeakPolarHBondContact CB-O 3.43Å; P361-A364 HydrophobicContact CG-CB 4.36Å; P361-A364 PolarHBondContact O-N 2.98Å; A364-R407 WeakPolarHBondContact O-CD 3.37Å; A364-R407 PolarHBondContact O-NH1 2.88Å; A364-Y409 VanDerWaalsContact CA-O 3.26Å; A364-Y409 WeakPolarHBondContact CA-O 3.47Å; A364-A411 HydrophobicContact CB-CB 4.35Å; A364-Y544 HydrophobicContact CB-CD1 3.53Å; A364-Y544 HydrophobicContact CB-CE1 4.26Å; A364-Y544 HydrophobicContact CB-CG 3.81Å
365	G	97.8	Very high	93.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	152	172.4	0	0	0	0	0	111	I298 P367 Y409 D410 A411	I298-G365 WeakPolarHBondContact O-CA 3.44Å; G365-P367 WeakPolarHBondContact O-CD 2.82Å; G365-Y409 PolarHBondContact N-O 3.16Å; G365-Y409 VanDerWaalsContact N-O 3.16Å; G365-D410 WeakPolarHBondContact O-CA 3.01Å; G365-A411 PolarHBondContact O-N 3.02Å
366	L	96.8	Very high	94.3	Very high	12 Å²	12	26 Å²	26	6%	0.063	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120.5	180	176.6	77.5	0	0	0	109.1	H297 I298 M348 Y360 A411	H297-L366 CarbonylContact C-O 3.59Å; H297-L366 WeakPolarHBondContact CA-O 3.47Å; I298-L366 HydrophobicContact CB-CB 4.15Å; I298-L366 HydrophobicContact CD1-CD2 3.98Å; I298-L366 PolarHBondContact N-O 3.06Å; I298-L366 PolarHBondContact O-N 3.47Å; M348-L366 HydrophobicContact CB-CD2 4.22Å; M348-L366 WeakPolarHBondContact O-CD2 3.37Å; Y360-L366 HydrophobicContact CE1-CB 3.78Å; L366-A411 WeakPolarHBondContact CD1-O 3.28Å
367	P	95.4	Very high	94.9	Very high	39 Å²	39	24.2 Å²	24.2	25%	0.253	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	137.8	-175.3	28	-35.4	0	0	0	112.8	H296 G365 D410 A411	H296-P367 WeakPolarHBondContact O-CA 3.29Å; G365-P367 WeakPolarHBondContact O-CD 2.82Å; P367-D410 HydrophobicContact CG-CB 4.02Å; P367-A411 WeakPolarHBondContact CD-O 3.31Å
368	I	94.9	Very high	95	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	142.8	174.4	-168.6	177	0	0	0	110.4	M265 L288 L292 H296 I298 M348 F373 M402	M265-I368 HydrophobicContact CE-CD1 3.68Å; M265-I368 HydrophobicContact SD-CD1 4.11Å; L288-I368 HydrophobicContact CD1-CD1 3.9Å; L292-I368 HydrophobicContact CD2-CD1 4.26Å; L292-I368 HydrophobicContact CD2-CG1 4.16Å; H296-I368 HydrophobicContact CB-CG2 3.83Å; H296-I368 PolarHBondContact N-O 3.08Å; H296-I368 PolarHBondContact O-N 2.86Å; I298-I368 HydrophobicContact CD1-CB 4.29Å; I298-I368 HydrophobicContact CD1-CD1 4.16Å; I298-I368 HydrophobicContact CD1-CG2 4.4Å; I298-I368 HydrophobicContact CG1-CB 4.34Å; I298-I368 HydrophobicContact CG1-CG2 3.93Å; M348-I368 HydrophobicContact CE-CD1 3.84Å; M348-I368 HydrophobicContact CE-CG1 4.19Å; I368-F373 HydrophobicContact CD1-CZ 4.43Å; I368-F373 HydrophobicContact CG1-CE1 4.15Å; I368-F373 HydrophobicContact CG1-CE2 4.01Å; I368-F373 HydrophobicContact CG1-CZ 3.59Å; I368-M402 HydrophobicContact CD1-SD 4.27Å; I368-M402 HydrophobicContact CG2-CG 4.42Å; I368-M402 HydrophobicContact CG2-SD 3.76Å
369	G	94.4	Very high	95.2	Very high	10 Å²	10	22 Å²	22	10%	0.103	14%	0.14	C	C	.	.			trans	70.8	-173	-177.1	0	0	0	0	0	114.2	L292 F373	L292-G369 CarbonylContact O-C 3.58Å; L292-G369 WeakPolarHBondContact O-CA 3.2Å; G369-F373 VanDerWaalsContact CA-CG 3.41Å
370	G	92.8	Very high	95.1	Very high	5 Å²	5	22.6 Å²	22.6	5%	0.052	14%	0.142	C	C	.	.	S	Bend	trans	96.7	175.2	-175.4	0	0	0	0	0	113.2	L292 R293 R294 G372 F373	L292-G370 PolarHBondContact O-N 3.26Å; R293-G370 WeakPolarHBondContact O-CA 3.36Å; R294-G370 PolarHBondContact O-N 3.25Å; G370-G372 PolarHBondContact O-N 3.4Å; G370-F373 VanDerWaalsContact O-CB 3.25Å; G370-F373 WeakPolarHBondContact O-CB 3.46Å; G370-F373 PolarHBondContact O-N 2.87Å; G370-F373 VanDerWaalsContact O-N 3.11Å
371	P	90.6	Very high	95	Very high	125 Å²	125	22.6 Å²	22.6	81%	0.812	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	135.7	178.2	-23	33.5	0	0	0	111.4	F373	P371-F373 VanDerWaalsContact C-N 3.29Å; P371-F373 PolarHBondContact O-N 3.13Å
372	G	89.4	Confident	94.7	Very high	48 Å²	48	22.5 Å²	22.5	50%	0.495	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	-6.6	-176.9	0	0	0	0	0	115.4	E323 G370 N374	E323-G372 WeakPolarHBondContact OE2-CA 3.11Å; E323-G372 PolarHBondContact OE2-N 3Å; G370-G372 PolarHBondContact O-N 3.4Å; G372-N374 PolarHBondContact O-N 3.13Å
373	F	93	Very high	94.6	Very high	30 Å²	30	19.4 Å²	19.4	13%	0.132	12%	0.121	C	C	.	.			trans	-78.3	117.9	-179	-176	-95.3	0	0	0	111.7	L288 L292 H318 I368 G369 G370 P371	L288-F373 HydrophobicContact CD1-CE1 4.5Å; L288-F373 HydrophobicContact CD1-CZ 4.46Å; L292-F373 HydrophobicContact CB-CD1 4.46Å; L292-F373 HydrophobicContact CD1-CD1 4.49Å; L292-F373 HydrophobicContact CD1-CE1 3.9Å; H318-F373 AromaticContact CD2-CE2 3.87Å; H318-F373 AromaticContact CD2-CZ 3.87Å; H318-F373 AromaticContact CE1-CD2 3.68Å; H318-F373 AromaticContact CE1-CE2 3.42Å; H318-F373 VanDerWaalsContact CE1-CE2 3.42Å; H318-F373 WeakPolarHBondContact CE1-CE2 3.33Å; H318-F373 AromaticContact ND1-CE2 3.97Å; H318-F373 AromaticContact NE2-CD2 3.8Å; H318-F373 AromaticContact NE2-CE2 3.34Å; H318-F373 VanDerWaalsContact NE2-CE2 3.34Å; H318-F373 WeakPolarHBondContact NE2-CE2 3.35Å; H318-F373 AromaticContact NE2-CZ 3.58Å; I368-F373 HydrophobicContact CD1-CZ 4.43Å; I368-F373 HydrophobicContact CG1-CE1 4.15Å; I368-F373 HydrophobicContact CG1-CE2 4.01Å; I368-F373 HydrophobicContact CG1-CZ 3.59Å; G369-F373 VanDerWaalsContact CA-CG 3.41Å; G370-F373 VanDerWaalsContact O-CB 3.25Å; G370-F373 WeakPolarHBondContact O-CB 3.46Å; G370-F373 PolarHBondContact O-N 2.87Å; G370-F373 VanDerWaalsContact O-N 3.11Å; P371-F373 VanDerWaalsContact C-N 3.29Å; P371-F373 PolarHBondContact O-N 3.13Å
374	N	93.7	Very high	94.2	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	12%	0.119	C	C	.	.			trans	-77.4	128	169.9	-174.1	-71.5	0	0	0	110.3	H318 C319 G322 E325 G372 Y376	H318-N374 PolarHBondContact CD2-O 3.37Å; H318-N374 PolarHBondContact NE2-O 2.63Å; C319-N374 WeakPolarHBondContact O-CB 3.36Å; G322-N374 PolarHBondContact O-ND2 3.42Å; E325-N374 PolarHBondContact O-ND2 3.26Å; G372-N374 PolarHBondContact O-N 3.13Å; N374-Y376 VanDerWaalsContact C-N 3.28Å; N374-Y376 PolarHBondContact O-N 3.11Å; N374-Y376 WeakPolarHBondContact OD1-CB 3.46Å; N374-Y376 VanDerWaalsContact OD1-CD2 3.24Å; N374-Y376 WeakPolarHBondContact OD1-CD2 3.24Å; N374-Y376 PolarHBondContact OD1-N 2.83Å
375	P	95	Very high	93.9	Very high	16 Å²	16	18.9 Å²	18.9	10%	0.104	12%	0.12	C	C	.	.			trans	-82.6	6.1	-172.2	34	-37.2	0	0	0	114.9	R287 L288	R287-P375 HydrophobicContact CG-CB 4.14Å; R287-P375 HydrophobicContact CG-CG 4.01Å; L288-P375 WeakPolarHBondContact CB-O 3.37Å; L288-P375 WeakPolarHBondContact CG-O 3.46Å; L288-P375 PolarHBondContact N-O 3.03Å
376	Y	95.8	Very high	93.3	Very high	21 Å²	21	22.6 Å²	22.6	8%	0.082	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	140.6	-178.7	-68.7	-95.7	0	0	0	111.9	Q286 R287 H318 C319 I327 L329 N374	Q286-Y376 WeakPolarHBondContact O-CA 3.46Å; R287-Y376 HydrophobicContact CB-CD1 4.03Å; R287-Y376 HydrophobicContact CB-CE1 3.81Å; R287-Y376 HydrophobicContact CG-CD1 4.46Å; R287-Y376 HydrophobicContact CG-CE1 4.2Å; R287-Y376 HydrophobicContact CG-CE2 4.29Å; H318-Y376 PolarHBondContact CD2-O 2.86Å; C319-Y376 WeakPolarHBondContact CB-O 3.34Å; C319-Y376 PolarHBondContact N-O 3.42Å; C319-Y376 VanDerWaalsContact N-O 3.1Å; C319-Y376 PolarHBondContact SG-O 3.04Å; I327-Y376 HydrophobicContact CB-CD1 3.81Å; I327-Y376 HydrophobicContact CB-CD2 4.16Å; I327-Y376 HydrophobicContact CB-CE1 4.36Å; I327-Y376 HydrophobicContact CB-CG 3.68Å; I327-Y376 HydrophobicContact CG1-CD2 4.04Å; I327-Y376 HydrophobicContact CG1-CG 3.87Å; I327-Y376 WeakPolarHBondContact O-CD1 3.09Å; I327-Y376 WeakPolarHBondContact O-CE1 3.36Å; L329-Y376 HydrophobicContact CD2-CD1 4.16Å; L329-Y376 HydrophobicContact CD2-CE1 3.78Å; N374-Y376 VanDerWaalsContact C-N 3.28Å; N374-Y376 PolarHBondContact O-N 3.11Å; N374-Y376 WeakPolarHBondContact OD1-CB 3.46Å; N374-Y376 VanDerWaalsContact OD1-CD2 3.24Å; N374-Y376 WeakPolarHBondContact OD1-CD2 3.24Å; N374-Y376 PolarHBondContact OD1-N 2.83Å
377	V	96.4	Very high	93.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.1	174	-62.3	0	0	0	0	110.3	I267 V285 Q286 L288 V316 F317 M348	I267-V377 HydrophobicContact CD1-CG2 4.34Å; I267-V377 HydrophobicContact CG2-CG2 4.27Å; V285-V377 WeakPolarHBondContact CA-O 3.29Å; Q286-V377 HydrophobicContact CG-CG2 3.68Å; Q286-V377 PolarHBondContact N-O 2.85Å; Q286-V377 PolarHBondContact O-N 3.49Å; L288-V377 HydrophobicContact CD1-CG1 3.7Å; L288-V377 HydrophobicContact CD2-CG1 4.2Å; L288-V377 HydrophobicContact CD2-CG2 3.6Å; L288-V377 HydrophobicContact CG-CG1 3.9Å; L288-V377 HydrophobicContact CG-CG2 3.98Å; V316-V377 HydrophobicContact CG1-CB 3.92Å; V316-V377 HydrophobicContact CG1-CG1 4.2Å; V316-V377 HydrophobicContact CG1-CG2 4.27Å; F317-V377 CarbonylContact O-C 3.48Å; F317-V377 WeakPolarHBondContact O-CA 3.39Å; F317-V377 WeakPolarHBondContact O-CB 3.38Å; M348-V377 HydrophobicContact SD-CG1 3.84Å
378	R	95.2	Very high	92.9	Very high	25 Å²	25	32.9 Å²	32.9	9%	0.094	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.1	167.2	-174.1	178.3	86.9	-132	-0.9	108.8	C283 H284 V285 V316 F317 C344 E380	C283-R378 HydrophobicContact CB-CG 4.35Å; H284-R378 CarbonylContact O-C 3.5Å; H284-R378 WeakPolarHBondContact O-CA 3.45Å; V285-R378 HydrophobicContact CG2-CB 4.13Å; V285-R378 HydrophobicContact CG2-CG 3.94Å; V316-R378 CarbonylContact C-O 3.52Å; V316-R378 WeakPolarHBondContact CA-O 3.29Å; F317-R378 HydrophobicContact CB-CB 4.46Å; F317-R378 PolarHBondContact N-O 2.8Å; F317-R378 PolarHBondContact O-N 2.92Å; C344-R378 HydrophobicContact CB-CB 3.8Å; C344-R378 PolarHBondContact O-NH1 2.78Å; R378-E380 IonicContact CZ-OE2 2.8Å; R378-E380 IonicContact NE-OE2 2.91Å; R378-E380 PolarHBondContact NE-OE2 3.16Å; R378-E380 IonicContact NH2-OE2 2.77Å; R378-E380 PolarHBondContact NH2-OE2 3.21Å
379	L	96.9	Very high	92.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.6	162.2	171.5	62.3	0	0	0	107.8	I267 T268 L269 C283 H284 M314 E315 V316 V381 F398	I267-L379 HydrophobicContact CG2-CB 4.07Å; I267-L379 HydrophobicContact CG2-CD2 4.41Å; T268-L379 VanDerWaalsContact C-CD2 3.49Å; L269-L379 HydrophobicContact CD2-CD2 3.86Å; L269-L379 HydrophobicContact CD2-CG 4.19Å; L269-L379 HydrophobicContact CG-CD2 4.02Å; C283-L379 CarbonylContact C-O 3.5Å; C283-L379 WeakPolarHBondContact CA-O 3.43Å; H284-L379 HydrophobicContact CB-CB 4.37Å; H284-L379 PolarHBondContact N-O 3.04Å; H284-L379 PolarHBondContact O-N 3.41Å; M314-L379 HydrophobicContact CB-CD1 4.43Å; E315-L379 CarbonylContact O-C 3.51Å; E315-L379 WeakPolarHBondContact O-CA 3.43Å; V316-L379 HydrophobicContact CG2-CD1 3.97Å; L379-V381 HydrophobicContact CD1-CG2 3.97Å; L379-V381 HydrophobicContact CD2-CG2 4.27Å; L379-V381 HydrophobicContact CG-CG2 3.91Å; L379-F398 HydrophobicContact CD1-CD2 4.15Å; L379-F398 HydrophobicContact CD1-CE2 4.04Å
380	E	95.1	Very high	92.9	Very high	30 Å²	30	40.9 Å²	40.9	14%	0.14	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.8	173.8	-172.5	167	135.3	0	0	108.5	Y281 W282 M314 E315 F317 R378	Y281-E380 HydrophobicContact CD1-CG 4.33Å; W282-E380 CarbonylContact O-C 3.59Å; W282-E380 WeakPolarHBondContact O-CA 3.21Å; M314-E380 CarbonylContact C-O 3.49Å; M314-E380 VanDerWaalsContact CA-O 3.26Å; M314-E380 WeakPolarHBondContact CA-O 3.38Å; E315-E380 PolarHBondContact N-O 2.85Å; E315-E380 PolarHBondContact O-N 3.35Å; F317-E380 HydrophobicContact CD2-CB 4.36Å; F317-E380 HydrophobicContact CE2-CB 3.84Å; R378-E380 IonicContact CZ-OE2 2.8Å; R378-E380 IonicContact NE-OE2 2.91Å; R378-E380 PolarHBondContact NE-OE2 3.16Å; R378-E380 IonicContact NH2-OE2 2.77Å; R378-E380 PolarHBondContact NH2-OE2 3.21Å
381	V	94.8	Very high	93	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.1	179.7	180	0	0	0	0	108.7	L269 W282 V311 M314 L379 F383	L269-V381 HydrophobicContact CD1-CB 4.05Å; L269-V381 HydrophobicContact CD1-CG1 4.33Å; L269-V381 HydrophobicContact CD1-CG2 3.81Å; L269-V381 HydrophobicContact CD2-CG2 3.91Å; L269-V381 HydrophobicContact CG-CG2 3.89Å; W282-V381 PolarHBondContact N-O 3.47Å; W282-V381 PolarHBondContact O-N 3.49Å; V311-V381 HydrophobicContact CG1-CG1 3.97Å; M314-V381 HydrophobicContact CB-CG2 4.34Å; M314-V381 HydrophobicContact CG-CB 4.38Å; M314-V381 HydrophobicContact CG-CG1 4.02Å; M314-V381 HydrophobicContact CG-CG2 3.87Å; M314-V381 HydrophobicContact SD-CG2 4.27Å; L379-V381 HydrophobicContact CD1-CG2 3.97Å; L379-V381 HydrophobicContact CD2-CG2 4.27Å; L379-V381 HydrophobicContact CG-CG2 3.91Å; V381-F383 HydrophobicContact CB-CE1 4.48Å; V381-F383 HydrophobicContact CB-CZ 4.25Å; V381-F383 HydrophobicContact CG1-CD1 3.86Å; V381-F383 HydrophobicContact CG1-CE1 3.44Å; V381-F383 VanDerWaalsContact CG1-CE1 3.44Å; V381-F383 HydrophobicContact CG1-CE2 4.24Å; V381-F383 HydrophobicContact CG1-CG 4.44Å; V381-F383 HydrophobicContact CG1-CZ 3.66Å
382	H	90.5	Very high	93.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.8	171.9	169.6	-150	0	0	0	109.7	T279 T280 Y281 H312 H313	T279-H382 VanDerWaalsContact CG2-NE2 3.34Å; T279-H382 WeakPolarHBondContact CG2-NE2 3.36Å; T280-H382 WeakPolarHBondContact O-CA 3.15Å; Y281-H382 HydrophobicContact CD1-CB 4.04Å; Y281-H382 HydrophobicContact CE1-CB 3.76Å; Y281-H382 AromaticContact CZ-CG 3.83Å; H312-H382 AromaticContact CG-CE1 3.93Å; H312-H382 AromaticContact CG-ND1 3.89Å; H312-H382 PolarHBondContact N-O 3.42Å; H312-H382 AromaticContact ND1-CE1 3.53Å; H312-H382 AromaticContact ND1-ND1 3.4Å; H312-H382 PolarHBondContact ND1-ND1 3Å; H313-H382 WeakPolarHBondContact CD2-CB 3.25Å; H313-H382 WeakPolarHBondContact CE1-CB 3.19Å; H313-H382 AromaticContact CE1-CG 3.5Å; H313-H382 VanDerWaalsContact CE1-CG 3.5Å; H313-H382 AromaticContact CE1-ND1 3Å; H313-H382 PolarHBondContact CE1-ND1 3.15Å; H313-H382 AromaticContact CG-ND1 3.96Å; H313-H382 AromaticContact ND1-CG 3.84Å; H313-H382 AromaticContact ND1-ND1 3.13Å; H313-H382 PolarHBondContact ND1-ND1 3Å; H313-H382 VanDerWaalsContact ND1-ND1 3.13Å; H313-H382 WeakPolarHBondContact NE2-CB 3.47Å; H313-H382 AromaticContact NE2-CG 3.77Å; H313-H382 AromaticContact NE2-ND1 3.73Å; H313-H382 PolarHBondContact O-N 3.26Å
383	F	92.5	Very high	93.5	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.9	171.9	-58.7	-60.1	0	0	0	110.4	L269 I274 T279 T280 W282 I310 V311 V381 D394	L269-F383 HydrophobicContact CD1-CE1 4.4Å; L269-F383 HydrophobicContact CD1-CE2 4.25Å; L269-F383 HydrophobicContact CD1-CZ 3.5Å; I274-F383 HydrophobicContact CD1-CD1 4.14Å; I274-F383 HydrophobicContact CD1-CE1 4.05Å; I274-F383 HydrophobicContact CD1-CZ 4.41Å; I274-F383 HydrophobicContact CG1-CD1 4.08Å; I274-F383 HydrophobicContact CG1-CD2 4.01Å; I274-F383 HydrophobicContact CG1-CE1 3.96Å; I274-F383 HydrophobicContact CG1-CE2 3.9Å; I274-F383 HydrophobicContact CG1-CG 4.09Å; I274-F383 HydrophobicContact CG1-CZ 3.86Å; I274-F383 HydrophobicContact CG2-CB 4.05Å; I274-F383 HydrophobicContact CG2-CD2 4.23Å; I274-F383 HydrophobicContact CG2-CG 4.1Å; T279-F383 WeakPolarHBondContact CA-O 3.18Å; T280-F383 PolarHBondContact N-O 3.06Å; T280-F383 PolarHBondContact O-N 3.11Å; W282-F383 HydrophobicContact CB-CD2 4.09Å; W282-F383 HydrophobicContact CB-CE2 3.6Å; W282-F383 HydrophobicContact CG-CE2 4.09Å; I310-F383 HydrophobicContact CG2-CB 4.03Å; I310-F383 HydrophobicContact CG2-CD1 4Å; I310-F383 HydrophobicContact CG2-CG 4.39Å; I310-F383 WeakPolarHBondContact O-CA 3.3Å; V311-F383 HydrophobicContact CG2-CD1 4.23Å; V311-F383 HydrophobicContact CG2-CE1 4Å; V381-F383 HydrophobicContact CB-CE1 4.48Å; V381-F383 HydrophobicContact CB-CZ 4.25Å; V381-F383 HydrophobicContact CG1-CD1 3.86Å; V381-F383 HydrophobicContact CG1-CE1 3.44Å; V381-F383 VanDerWaalsContact CG1-CE1 3.44Å; V381-F383 HydrophobicContact CG1-CE2 4.24Å; V381-F383 HydrophobicContact CG1-CG 4.44Å; V381-F383 HydrophobicContact CG1-CZ 3.66Å; F383-D394 HydrophobicContact CE1-CB 3.81Å; F383-D394 HydrophobicContact CZ-CB 3.75Å
384	N	88.5	Confident	93.7	Very high	31 Å²	31	40.1 Å²	40.1	17%	0.166	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	102.5	168.2	-176.7	31.3	0	0	0	108.8	E278 I310 H312 P386	E278-N384 CarbonylContact O-C 3.56Å; E278-N384 WeakPolarHBondContact O-CA 3.38Å; E278-N384 PolarHBondContact O-OD1 3.48Å; I310-N384 PolarHBondContact O-N 3.44Å; H312-N384 HydrophobicContact CB-CB 4.07Å; N384-P386 WeakPolarHBondContact O-CD 3.47Å
385	N	91.4	Very high	93.9	Very high	3 Å²	3	43 Å²	43	2%	0.016	25%	0.246	C	C	.	.			trans	-116.3	70	-177.8	176.7	19.9	0	0	0	109.8	I274 P275 Q277 E278 I310 E387 K388 Q389	I274-N385 HydrophobicContact CG2-CB 4.46Å; P275-N385 PolarHBondContact O-ND2 2.86Å; P275-N385 VanDerWaalsContact O-ND2 3.16Å; Q277-N385 WeakPolarHBondContact O-CB 3.48Å; E278-N385 WeakPolarHBondContact CA-O 3.29Å; E278-N385 PolarHBondContact O-N 2.83Å; I310-N385 HydrophobicContact CG2-CB 4.45Å; N385-E387 VanDerWaalsContact C-N 3.27Å; N385-E387 PolarHBondContact O-N 2.81Å; N385-K388 WeakPolarHBondContact O-CA 3.29Å; N385-K388 PolarHBondContact O-N 3.36Å; N385-K388 PolarHBondContact OD1-N 3.43Å; N385-Q389 PolarHBondContact ND2-N 2.8Å; N385-Q389 PolarHBondContact ND2-O 3.34Å; N385-Q389 PolarHBondContact OD1-N 2.85Å
386	P	86.4	Confident	94	Very high	78 Å²	78	42.3 Å²	42.3	51%	0.506	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-31.1	-170.9	24.4	-35.2	0	0	0	113.8	N384 K388	N384-P386 WeakPolarHBondContact O-CD 3.47Å; P386-K388 PolarHBondContact O-N 2.86Å
387	E	91.6	Very high	94	Very high	150 Å²	150	41.3 Å²	41.3	70%	0.701	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-4.4	175.5	-66.3	-178.6	177.1	0	0	113.3	N385 Q389	N385-E387 VanDerWaalsContact C-N 3.27Å; N385-E387 PolarHBondContact O-N 2.81Å; E387-Q389 HydrophobicContact CB-CG 3.93Å; E387-Q389 PolarHBondContact O-N 2.83Å; E387-Q389 PolarHBondContact OE2-NE2 2.75Å
388	K	92	Very high	94.1	Very high	116 Å²	116	41.3 Å²	41.3	50%	0.504	24%	0.237	S	C	.	.			trans	53.7	40.2	-179.7	-56.5	176.8	-174.4	177.6	0	112	S276 N385 P386	S276-K388 WeakPolarHBondContact CB-O 3.34Å; N385-K388 WeakPolarHBondContact O-CA 3.29Å; N385-K388 PolarHBondContact O-N 3.36Å; N385-K388 PolarHBondContact OD1-N 3.43Å; P386-K388 PolarHBondContact O-N 2.86Å
389	Q	94.5	Very high	94.1	Very high	83 Å²	83	44 Å²	44	39%	0.388	25%	0.247	S	C	.	.			trans	-58.7	146.2	177.7	-61	179.1	23.3	0	0	109.9	S276 N385 E387 L392	S276-Q389 PolarHBondContact OG-O 2.94Å; N385-Q389 PolarHBondContact ND2-N 2.8Å; N385-Q389 PolarHBondContact ND2-O 3.34Å; N385-Q389 PolarHBondContact OD1-N 2.85Å; E387-Q389 HydrophobicContact CB-CG 3.93Å; E387-Q389 PolarHBondContact O-N 2.83Å; E387-Q389 PolarHBondContact OE2-NE2 2.75Å; Q389-L392 HydrophobicContact CB-CD1 3.69Å; Q389-L392 HydrophobicContact CB-CG 4.22Å
390	S	94.6	Very high	94.1	Very high	95 Å²	95	44 Å²	44	66%	0.664	25%	0.247	S	C	*	.	S	Bend	trans	-112.6	156.8	-179.5	63.6	0	0	0	0	111.5	S276 L392	S276-S390 WeakPolarHBondContact OG-CA 3.25Å; S276-S390 WeakPolarHBondContact OG-CB 3.26Å; S390-L392 VanDerWaalsContact C-N 3.3Å; S390-L392 PolarHBondContact O-N 3.01Å
391	G	94.6	Very high	94.2	Very high	75 Å²	75	44.9 Å²	44.9	77%	0.773	25%	0.25	S	S	*	.	S	Bend	trans	76.3	12.4	177.5	0	0	0	0	0	115.2
392	L	95.2	Very high	94.2	Very high	39 Å²	39	45.4 Å²	45.4	20%	0.204	25%	0.253	C	S	.	.			trans	-77	139.2	175.4	-65.1	174.6	0	0	0	110.7	I274 I310 Q389 S390	I274-L392 HydrophobicContact CB-CB 3.91Å; I274-L392 HydrophobicContact CD1-CB 3.87Å; I274-L392 HydrophobicContact CG1-CB 4.35Å; I274-L392 PolarHBondContact N-O 2.91Å; I310-L392 HydrophobicContact CD1-CD1 3.57Å; I310-L392 HydrophobicContact CD1-CD2 4.47Å; Q389-L392 HydrophobicContact CB-CD1 3.69Å; Q389-L392 HydrophobicContact CB-CG 4.22Å; S390-L392 VanDerWaalsContact C-N 3.3Å; S390-L392 PolarHBondContact O-N 3.01Å
393	V	96	Very high	94.5	Very high	79 Å²	79	45.4 Å²	45.4	48%	0.479	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.2	177.3	179.2	0	0	0	0	108.9	E271 A272	E271-V393 HydrophobicContact CB-CG1 4.09Å; A272-V393 WeakPolarHBondContact O-CA 3.47Å
394	D	96.9	Very high	94.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.6	-176.5	-167.8	70	0	0	0	113	L269 A272 I274 T307 F383 S396	L269-D394 HydrophobicContact CD1-CB 4.47Å; A272-D394 PolarHBondContact N-O 2.98Å; A272-D394 PolarHBondContact O-N 2.81Å; I274-D394 HydrophobicContact CD1-CB 3.74Å; I274-D394 HydrophobicContact CG1-CB 4.01Å; T307-D394 WeakPolarHBondContact CB-OD1 3.23Å; T307-D394 HydrophobicContact CG2-CB 4.32Å; T307-D394 WeakPolarHBondContact CG2-OD1 3.46Å; T307-D394 PolarHBondContact N-OD1 2.78Å; T307-D394 PolarHBondContact OG1-OD1 3.45Å; F383-D394 HydrophobicContact CE1-CB 3.81Å; F383-D394 HydrophobicContact CZ-CB 3.75Å; D394-S396 PolarHBondContact OD1-OG 2.83Å; D394-S396 WeakPolarHBondContact OD2-CA 3.46Å; D394-S396 WeakPolarHBondContact OD2-CB 3.19Å; D394-S396 PolarHBondContact OD2-N 2.87Å; D394-S396 PolarHBondContact OD2-OG 2.82Å
395	N	97.1	Very high	94.9	Very high	62 Å²	62	53.5 Å²	53.5	33%	0.332	30%	0.295	S	S	.	.			trans	-134.4	31.5	175.9	-72.3	-65.5	0	0	0	110.1	L269 E271 R306	L269-N395 PolarHBondContact O-OD1 3.03Å; E271-N395 PolarHBondContact N-OD1 3.39Å; R306-N395 HydrophobicContact CG-CB 4.22Å
396	S	97.4	Very high	95.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.314	C	S	.	.			trans	-72.7	161.9	-178.8	-57.8	0	0	0	0	111.2	T268 L269 L304 R306 D394	T268-S396 WeakPolarHBondContact CA-O 3.38Å; L269-S396 PolarHBondContact N-O 2.84Å; L304-S396 CarbonylContact O-C 3.46Å; L304-S396 WeakPolarHBondContact O-CA 3.49Å; L304-S396 VanDerWaalsContact O-CB 3.25Å; L304-S396 WeakPolarHBondContact O-CB 3.44Å; R306-S396 PolarHBondContact N-OG 2.98Å; D394-S396 PolarHBondContact OD1-OG 2.83Å; D394-S396 WeakPolarHBondContact OD2-CA 3.46Å; D394-S396 WeakPolarHBondContact OD2-CB 3.19Å; D394-S396 PolarHBondContact OD2-N 2.87Å; D394-S396 PolarHBondContact OD2-OG 2.82Å
397	G	96.9	Very high	95.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.3	-137.8	178.3	0	0	0	0	0	111.9	I267 L304 M314	I267-G397 CarbonylContact O-C 3.51Å; I267-G397 VanDerWaalsContact O-CA 3.26Å; I267-G397 WeakPolarHBondContact O-CA 3.27Å; L304-G397 PolarHBondContact N-O 2.84Å; L304-G397 PolarHBondContact O-N 2.89Å; M314-G397 WeakPolarHBondContact CE-O 3.33Å
398	F	97.2	Very high	96	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.2	-172.3	-67.1	-81.4	0	0	0	112.7	E266 I267 F301 E302 M314 V316 V349 W351 L379 I400	E266-F398 CarbonylContact C-O 3.58Å; E266-F398 VanDerWaalsContact CA-O 3.24Å; E266-F398 WeakPolarHBondContact CA-O 3.27Å; I267-F398 PolarHBondContact N-O 2.82Å; I267-F398 PolarHBondContact O-N 3.34Å; F301-F398 HydrophobicContact CD2-CD1 4.42Å; F301-F398 HydrophobicContact CD2-CE1 4.45Å; E302-F398 WeakPolarHBondContact O-CA 3.43Å; M314-F398 HydrophobicContact CB-CE2 3.63Å; M314-F398 HydrophobicContact CB-CZ 3.74Å; M314-F398 HydrophobicContact CE-CE1 4.28Å; M314-F398 HydrophobicContact CE-CE2 4.23Å; M314-F398 HydrophobicContact CE-CZ 4.02Å; M314-F398 WeakPolarHBondContact O-CZ 3.34Å; V316-F398 HydrophobicContact CG2-CD2 3.54Å; V316-F398 HydrophobicContact CG2-CE2 3.83Å; V349-F398 HydrophobicContact CG1-CD1 3.47Å; V349-F398 VanDerWaalsContact CG1-CD1 3.47Å; V349-F398 HydrophobicContact CG1-CD2 4.16Å; V349-F398 HydrophobicContact CG1-CE1 3.43Å; V349-F398 VanDerWaalsContact CG1-CE1 3.43Å; V349-F398 HydrophobicContact CG1-CE2 4.15Å; V349-F398 HydrophobicContact CG1-CG 3.82Å; V349-F398 HydrophobicContact CG1-CZ 3.79Å; W351-F398 HydrophobicContact CB-CE1 3.47Å; W351-F398 VanDerWaalsContact CB-CE1 3.47Å; W351-F398 HydrophobicContact CB-CZ 3.55Å; W351-F398 HydrophobicContact CG-CE1 4.43Å; L379-F398 HydrophobicContact CD1-CD2 4.15Å; L379-F398 HydrophobicContact CD1-CE2 4.04Å; F398-I400 HydrophobicContact CB-CG1 4.32Å
399	R	96.6	Very high	96.2	Very high	82 Å²	82	52.7 Å²	52.7	31%	0.309	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.6	156.3	-175.5	178.6	-60.1	138.4	-5.3	109.2	M265 E266 F301 E302 L304	M265-R399 WeakPolarHBondContact O-CA 2.82Å; E266-R399 HydrophobicContact CG-CB 4.22Å; E266-R399 HydrophobicContact CG-CG 4.17Å; E266-R399 IonicContact OE1-CZ 3.74Å; E266-R399 VanDerWaalsContact OE1-CZ 3.24Å; E266-R399 IonicContact OE1-NE 3.53Å; E266-R399 PolarHBondContact OE1-NE 2.74Å; E266-R399 IonicContact OE1-NH2 3.69Å; E266-R399 PolarHBondContact OE1-NH2 3.19Å; F301-R399 CarbonylContact C-O 3.57Å; F301-R399 VanDerWaalsContact CA-O 3.3Å; F301-R399 WeakPolarHBondContact CA-O 3.29Å; E302-R399 HydrophobicContact CG-CB 3.8Å; E302-R399 PolarHBondContact N-O 3.44Å; E302-R399 PolarHBondContact O-N 2.92Å; E302-R399 WeakPolarHBondContact OE1-CD 3.37Å; E302-R399 IonicContact OE1-CZ 3.98Å; E302-R399 IonicContact OE1-NE 2.91Å; E302-R399 IonicContact OE1-NH1 3.6Å; E302-R399 PolarHBondContact OE1-NH1 2.83Å; L304-R399 HydrophobicContact CD1-CB 4.11Å; L304-R399 HydrophobicContact CD2-CB 4.19Å; L304-R399 HydrophobicContact CG-CB 4.2Å
400	I	96.4	Very high	96.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.5	-176.9	-59.9	177.4	0	0	0	108.5	H264 M265 I267 I298 F301 V349 F398 M402	H264-I400 VanDerWaalsContact CA-O 3.32Å; H264-I400 WeakPolarHBondContact CA-O 3.47Å; M265-I400 HydrophobicContact CG-CB 3.69Å; M265-I400 HydrophobicContact CG-CD1 4.26Å; M265-I400 HydrophobicContact CG-CG1 4.37Å; M265-I400 HydrophobicContact CG-CG2 4.24Å; M265-I400 PolarHBondContact N-O 3.19Å; M265-I400 PolarHBondContact O-N 2.73Å; M265-I400 HydrophobicContact SD-CD1 4.14Å; I267-I400 HydrophobicContact CD1-CD1 3.56Å; I267-I400 HydrophobicContact CG1-CD1 4.26Å; I298-I400 HydrophobicContact CB-CG2 4.13Å; I298-I400 HydrophobicContact CD1-CG2 3.83Å; I298-I400 HydrophobicContact CG1-CG2 3.58Å; I298-I400 HydrophobicContact CG2-CG2 3.59Å; F301-I400 HydrophobicContact CB-CG1 4.18Å; V349-I400 HydrophobicContact CG2-CD1 3.9Å; V349-I400 HydrophobicContact CG2-CG1 4.46Å; F398-I400 HydrophobicContact CB-CG1 4.32Å; I400-M402 HydrophobicContact CG2-CG 3.98Å
401	K	96.3	Very high	96.5	Very high	49 Å²	49	46.3 Å²	46.3	21%	0.213	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.4	171.7	-50.5	-165.9	-178	161.3	0	110	L262 D263 V299 Q300	L262-K401 HydrophobicContact CD1-CD 4.33Å; D263-K401 WeakPolarHBondContact O-CA 3.05Å; V299-K401 HydrophobicContact CG2-CB 4.29Å; V299-K401 WeakPolarHBondContact CG2-O 3.32Å; V299-K401 PolarHBondContact N-O 3.09Å; Q300-K401 HydrophobicContact CB-CB 4.19Å; Q300-K401 HydrophobicContact CB-CD 4.44Å; Q300-K401 HydrophobicContact CB-CG 4.33Å; Q300-K401 PolarHBondContact N-O 2.83Å; Q300-K401 PolarHBondContact O-N 3.49Å; Q300-K401 VanDerWaalsContact OE1-CD 3.23Å
402	M	95.9	Very high	96.6	Very high	11 Å²	11	43.5 Å²	43.5	5%	0.054	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.4	-175.1	-61.2	175.8	-72.3	0	0	111.7	L262 D263 M265 H296 H297 I298 I368 I400	L262-M402 CarbonylContact C-O 3.59Å; L262-M402 VanDerWaalsContact CA-O 3.32Å; L262-M402 WeakPolarHBondContact CA-O 3.35Å; D263-M402 HydrophobicContact CB-CE 4.3Å; D263-M402 PolarHBondContact N-O 3.45Å; D263-M402 PolarHBondContact O-N 3.31Å; M265-M402 HydrophobicContact CB-CE 3.95Å; M265-M402 HydrophobicContact CE-CE 3.42Å; M265-M402 VanDerWaalsContact CE-CE 3.42Å; M265-M402 HydrophobicContact CE-SD 3.49Å; M265-M402 WeakPolarHBondContact CE-SD 3.38Å; M265-M402 HydrophobicContact CG-CE 3.8Å; M265-M402 HydrophobicContact CG-SD 4.38Å; M265-M402 HydrophobicContact SD-CE 4.31Å; M265-M402 HydrophobicContact SD-SD 4.33Å; H296-M402 HydrophobicContact CB-CB 4.43Å; H297-M402 CarbonylContact O-C 3.49Å; H297-M402 VanDerWaalsContact O-CA 3.26Å; H297-M402 WeakPolarHBondContact O-CA 3.3Å; I298-M402 HydrophobicContact CG1-CG 3.93Å; I368-M402 HydrophobicContact CD1-SD 4.27Å; I368-M402 HydrophobicContact CG2-CG 4.42Å; I368-M402 HydrophobicContact CG2-SD 3.76Å; I400-M402 HydrophobicContact CG2-CG 3.98Å
403	S	96.1	Very high	96.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138.3	173.1	175.8	0	0	0	0	111.1	E259 H296 H297 T405	E259-S403 WeakPolarHBondContact CG-OG 3.26Å; H296-S403 WeakPolarHBondContact CA-O 3.49Å; H296-S403 WeakPolarHBondContact CB-O 3.2Å; H297-S403 PolarHBondContact N-O 2.72Å; H297-S403 PolarHBondContact O-N 3.38Å; S403-T405 VanDerWaalsContact C-N 3.34Å; S403-T405 WeakPolarHBondContact OG-CA 3.25Å; S403-T405 PolarHBondContact OG-N 2.03Å; S403-T405 PolarHBondContact OG-O 3.06Å
404	K	94.9	Very high	96.5	Very high	104 Å²	104	38.4 Å²	38.4	45%	0.452	19%	0.185	S	C	.	.	S	Bend	trans	-75.1	-26.4	166.1	-73.7	167.4	-176.3	130.3	0	112.3	D263 H296 L406	D263-K404 IonicContact OD1-NZ 2.91Å; D263-K404 PolarHBondContact OD1-NZ 2.79Å; D263-K404 WeakPolarHBondContact OD2-CE 3.25Å; D263-K404 IonicContact OD2-NZ 2.76Å; D263-K404 PolarHBondContact OD2-NZ 2.97Å; H296-K404 VanDerWaalsContact CD2-CG 3.45Å; H296-K404 WeakPolarHBondContact CD2-CG 3.2Å; H296-K404 WeakPolarHBondContact NE2-CG 3.12Å; K404-L406 PolarHBondContact O-N 2.64Å
405	T	95.6	Very high	96.4	Very high	98 Å²	98	39.2 Å²	39.2	60%	0.601	19%	0.189	S	C	*	.	S	Bend	trans	-81.4	105	174.2	-57.5	0	0	0	0	107.9	S403	S403-T405 VanDerWaalsContact C-N 3.34Å; S403-T405 WeakPolarHBondContact OG-CA 3.25Å; S403-T405 PolarHBondContact OG-N 2.03Å; S403-T405 PolarHBondContact OG-O 3.06Å
406	L	96.3	Very high	96.5	Very high	80 Å²	80	36.3 Å²	36.3	42%	0.419	17%	0.174	S	C	.	.			trans	-68.4	134.6	180	-56.3	-179.9	0	0	0	110.3	R295 H297 K404	R295-L406 HydrophobicContact CB-CD1 4.4Å; R295-L406 HydrophobicContact CG-CD1 4.31Å; R295-L406 HydrophobicContact CG-CD2 4.18Å; H297-L406 HydrophobicContact CB-CD2 4.46Å; K404-L406 PolarHBondContact O-N 2.64Å
407	R	97.1	Very high	96.5	Very high	18 Å²	18	36.3 Å²	36.3	7%	0.068	17%	0.174	C	C	.	.			trans	-74.6	169.8	171.1	-65.5	175.9	173.8	-179.3	0.1	110.5	E259 H297 V299 Y360 P361 P362 A364 Y409	E259-R407 WeakPolarHBondContact OE1-CG 3.36Å; E259-R407 IonicContact OE1-CZ 3.42Å; E259-R407 IonicContact OE1-NE 3.46Å; E259-R407 PolarHBondContact OE1-NE 2.94Å; E259-R407 IonicContact OE1-NH2 2.81Å; E259-R407 IonicContact OE2-CZ 3.55Å; E259-R407 IonicContact OE2-NE 3.82Å; E259-R407 IonicContact OE2-NH2 2.63Å; E259-R407 PolarHBondContact OE2-NH2 2.82Å; H297-R407 PolarHBondContact CE1-N 2.87Å; H297-R407 PolarHBondContact CE1-O 3.21Å; H297-R407 PolarHBondContact ND1-N 3.41Å; V299-R407 VanDerWaalsContact CG1-CZ 3.48Å; Y360-R407 VanDerWaalsContact C-NH1 3.27Å; Y360-R407 PolarHBondContact O-NH1 2.9Å; P361-R407 VanDerWaalsContact C-NH1 3.34Å; P361-R407 PolarHBondContact O-NH1 2.76Å; P362-R407 VanDerWaalsContact O-CD 3.25Å; P362-R407 WeakPolarHBondContact O-CD 3.15Å; P362-R407 WeakPolarHBondContact O-CG 3.31Å; A364-R407 WeakPolarHBondContact O-CD 3.37Å; A364-R407 PolarHBondContact O-NH1 2.88Å; R407-Y409 VanDerWaalsContact C-N 3.28Å; R407-Y409 PolarHBondContact O-N 2.81Å
408	Q	97.7	Very high	96.4	Very high	144 Å²	144	36.9 Å²	36.9	67%	0.673	18%	0.177	S	C	*	.	S	Bend	trans	-59.7	-37.7	-174.1	-175.8	177.7	2.6	0	0	113.1	E363	E363-Q408 PolarHBondContact O-N 2.92Å
409	Y	98.2	Very high	96.3	Very high	87 Å²	87	37.7 Å²	37.7	34%	0.341	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145	-176.3	-58.6	-68.8	0	0	0	112.5	H297 E363 A364 G365 R407 Y544 P545	H297-Y409 PolarHBondContact CE1-O 3.09Å; E363-Y409 HydrophobicContact CB-CD2 4.38Å; E363-Y409 PolarHBondContact O-N 3.38Å; A364-Y409 VanDerWaalsContact CA-O 3.26Å; A364-Y409 WeakPolarHBondContact CA-O 3.47Å; G365-Y409 PolarHBondContact N-O 3.16Å; G365-Y409 VanDerWaalsContact N-O 3.16Å; R407-Y409 VanDerWaalsContact C-N 3.28Å; R407-Y409 PolarHBondContact O-N 2.81Å; Y409-Y544 AromaticContact CD2-CD2 3.67Å; Y409-Y544 HydrophobicContact CD2-CD2 3.67Å; Y409-Y544 AromaticContact CD2-CE2 3.92Å; Y409-Y544 HydrophobicContact CD2-CE2 3.92Å; Y409-Y544 HydrophobicContact CD2-CG 4.49Å; Y409-Y544 HydrophobicContact CE2-CD2 4.3Å; Y409-Y544 HydrophobicContact CE2-CE2 4.22Å; Y409-Y544 AromaticContact CG-CD2 3.92Å; Y409-Y544 HydrophobicContact CG-CD2 3.92Å; Y409-P545 HydrophobicContact CD1-CB 4.16Å
410	D	97.5	Very high	95.8	Very high	44 Å²	44	36.2 Å²	36.2	24%	0.235	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	134.9	162.2	-64.4	-44.2	0	0	0	109.3	R295 H297 G365 P367 P545 A546	R295-D410 IonicContact CZ-OD1 3.95Å; R295-D410 IonicContact CZ-OD2 3.77Å; R295-D410 IonicContact NE-OD1 2.71Å; R295-D410 IonicContact NH1-OD2 2.72Å; R295-D410 IonicContact NH2-OD1 3.3Å; R295-D410 PolarHBondContact NH2-OD1 2.97Å; R295-D410 IonicContact NH2-OD2 3.8Å; R295-D410 PolarHBondContact NH2-OD2 3.4Å; H297-D410 IonicContact CD2-OD1 2.81Å; H297-D410 IonicContact CE1-OD1 3.7Å; H297-D410 IonicContact NE2-OD1 3.65Å; H297-D410 PolarHBondContact NE2-OD1 3.41Å; G365-D410 WeakPolarHBondContact O-CA 3.01Å; P367-D410 HydrophobicContact CG-CB 4.02Å; D410-P545 CarbonylContact O-C 3.53Å; D410-P545 WeakPolarHBondContact O-CA 3.32Å; D410-A546 HydrophobicContact CB-CB 3.79Å; D410-A546 PolarHBondContact O-N 2.74Å
411	A	97.5	Very high	95.7	Very high	1 Å²	1	38 Å²	38	1%	0.008	19%	0.186	C	C	.	.			trans	-90.6	158.9	169	0	0	0	0	0	111	Y360 A364 G365 L366 P367 F456 Y543	Y360-A411 HydrophobicContact CD1-CB 3.82Å; Y360-A411 HydrophobicContact CE1-CB 3.6Å; A364-A411 HydrophobicContact CB-CB 4.35Å; G365-A411 PolarHBondContact O-N 3.02Å; L366-A411 WeakPolarHBondContact CD1-O 3.28Å; P367-A411 WeakPolarHBondContact CD-O 3.31Å; A411-F456 HydrophobicContact CB-CE1 4.07Å; A411-F456 HydrophobicContact CB-CZ 4Å; A411-Y543 CarbonylContact C-O 3.49Å; A411-Y543 WeakPolarHBondContact CA-O 3.35Å
412	A	95.2	Very high	95.5	Very high	15 Å²	15	37.4 Å²	37.4	12%	0.124	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	167.3	169.8	0	0	0	0	0	110.4	Y543 A546	A412-Y543 HydrophobicContact CB-CE1 3.88Å; A412-Y543 HydrophobicContact CB-CE2 4.14Å; A412-Y543 PolarHBondContact N-O 2.9Å; A412-Y543 WeakPolarHBondContact O-CD1 3.01Å; A412-Y543 PolarHBondContact O-N 2.91Å; A412-A546 HydrophobicContact CB-CB 3.8Å
413	V	94.7	Very high	95.5	Very high	8 Å²	8	37.6 Å²	37.6	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.6	172.4	-172.6	0	0	0	0	108.5	V347 L350 I541	V347-V413 HydrophobicContact CB-CB 4.44Å; V347-V413 HydrophobicContact CG1-CB 4.32Å; V347-V413 HydrophobicContact CG1-CG1 4.12Å; V347-V413 HydrophobicContact CG1-CG2 4.47Å; L350-V413 HydrophobicContact CD1-CG1 4.21Å; L350-V413 HydrophobicContact CD1-CG2 4.45Å; V413-I541 WeakPolarHBondContact CA-O 3.28Å
414	M	95.3	Very high	95.5	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.015	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.7	170.3	174.3	-169.3	-44.6	0	0	109.8	L416 L448 I453 I541 Y543 L549 E550 C552	M414-L416 HydrophobicContact CG-CD2 4.15Å; M414-L416 HydrophobicContact SD-CD2 3.8Å; M414-L448 HydrophobicContact CE-CD2 4.33Å; M414-I453 HydrophobicContact CE-CD1 4.22Å; M414-I541 HydrophobicContact CB-CD1 4.16Å; M414-I541 HydrophobicContact CB-CG1 3.89Å; M414-I541 HydrophobicContact CG-CG1 4.5Å; M414-I541 PolarHBondContact N-O 2.89Å; M414-I541 VanDerWaalsContact O-CG1 3.25Å; M414-I541 WeakPolarHBondContact O-CG1 3.05Å; M414-I541 PolarHBondContact O-N 3.28Å; M414-I541 HydrophobicContact SD-CD1 4.16Å; M414-Y543 HydrophobicContact CB-CD1 4.16Å; M414-Y543 HydrophobicContact CB-CE1 3.56Å; M414-Y543 HydrophobicContact CE-CD1 4.44Å; M414-Y543 HydrophobicContact CE-CE1 3.75Å; M414-L549 HydrophobicContact CE-CB 3.99Å; M414-L549 HydrophobicContact CE-CD2 3.51Å; M414-L549 HydrophobicContact CE-CG 3.65Å; M414-L549 HydrophobicContact CG-CG 4.41Å; M414-L549 HydrophobicContact SD-CD2 3.69Å; M414-L549 HydrophobicContact SD-CG 3.92Å; M414-E550 CarbonylContact C-O 3.57Å; M414-E550 VanDerWaalsContact CA-O 3.23Å; M414-E550 WeakPolarHBondContact CA-O 2.98Å; M414-E550 WeakPolarHBondContact CG-O 3.27Å; M414-C552 HydrophobicContact CG-CB 4.36Å; M414-C552 HydrophobicContact SD-CB 3.95Å
415	E	95.4	Very high	95.6	Very high	18 Å²	18	33.2 Å²	33.2	8%	0.084	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.6	173	-63.2	-175.6	-147.7	0	0	110.8	Y420 V538 Y540 E550 C552 K553	E415-Y420 PolarHBondContact OE2-OH 2.65Å; E415-V538 HydrophobicContact CB-CG1 4.46Å; E415-Y540 HydrophobicContact CG-CD1 3.78Å; E415-Y540 HydrophobicContact CG-CE1 3.73Å; E415-E550 PolarHBondContact N-O 2.88Å; E415-C552 CarbonylContact O-C 3.32Å; E415-C552 PolarHBondContact O-N 3.23Å; E415-K553 HydrophobicContact CB-CD 3.87Å; E415-K553 HydrophobicContact CB-CG 4.34Å; E415-K553 IonicContact OE2-NZ 3.42Å; E415-K553 PolarHBondContact OE2-NZ 3.25Å
416	L	97.7	Very high	95.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	152.4	170.3	-52.7	176.3	0	0	0	109.8	M414 C439 T471 L511 V538 N539 I541 C552	M414-L416 HydrophobicContact CG-CD2 4.15Å; M414-L416 HydrophobicContact SD-CD2 3.8Å; L416-C439 HydrophobicContact CD2-CB 3.91Å; L416-T471 HydrophobicContact CD1-CG2 4.09Å; L416-L511 HydrophobicContact CD1-CB 4.14Å; L416-L511 HydrophobicContact CD1-CD1 3.62Å; L416-L511 HydrophobicContact CD1-CG 4.49Å; L416-L511 HydrophobicContact CD2-CD1 4.04Å; L416-V538 CarbonylContact O-C 3.59Å; L416-V538 VanDerWaalsContact O-CA 3.29Å; L416-V538 WeakPolarHBondContact O-CA 3.48Å; L416-N539 HydrophobicContact CB-CB 4.37Å; L416-N539 PolarHBondContact N-O 2.9Å; L416-N539 PolarHBondContact O-N 2.76Å; L416-I541 HydrophobicContact CD1-CD1 3.9Å; L416-I541 HydrophobicContact CD1-CG1 4.02Å; L416-I541 HydrophobicContact CD1-CG2 3.77Å; L416-I541 HydrophobicContact CD2-CD1 4.46Å; L416-I541 HydrophobicContact CG-CD1 4.25Å; L416-I541 HydrophobicContact CG-CG1 4.13Å; L416-I541 HydrophobicContact CG-CG2 4.5Å; L416-C552 HydrophobicContact CD2-CB 3.97Å
417	G	97.2	Very high	95.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	120.8	-142.6	173.6	0	0	0	0	0	113.6	G437 C537 K553 S554	G417-G437 WeakPolarHBondContact O-CA 3.49Å; G417-C537 CarbonylContact C-O 3.57Å; G417-C537 WeakPolarHBondContact CA-O 3.47Å; G417-K553 CarbonylContact O-C 3.58Å; G417-K553 WeakPolarHBondContact O-CA 3.33Å; G417-K553 VanDerWaalsContact O-CB 3.31Å; G417-K553 WeakPolarHBondContact O-CB 3.09Å; G417-S554 PolarHBondContact O-N 3.4Å
418	L	96.5	Very high	95.6	Very high	11 Å²	11	24.8 Å²	24.8	6%	0.058	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	141.7	-171.9	-66.2	174.3	0	0	0	112.5	M424 L435 S436 C537 K553 S554	L418-M424 HydrophobicContact CD2-CG 4.36Å; L418-L435 HydrophobicContact CD1-CB 3.52Å; L418-L435 HydrophobicContact CD1-CD1 3.91Å; L418-L435 HydrophobicContact CD1-CG 4.35Å; L418-S436 WeakPolarHBondContact CD2-O 3.48Å; L418-C537 HydrophobicContact CB-CB 4.05Å; L418-C537 HydrophobicContact CD1-CB 3.51Å; L418-C537 HydrophobicContact CG-CB 3.75Å; L418-C537 PolarHBondContact N-O 2.61Å; L418-K553 WeakPolarHBondContact O-CE 3.42Å; L418-K553 PolarHBondContact O-NZ 2.85Å; L418-S554 WeakPolarHBondContact CA-O 3.19Å; L418-S554 WeakPolarHBondContact CD2-O 3.14Å
419	E	93.6	Very high	95.5	Very high	17 Å²	17	20.1 Å²	20.1	8%	0.079	11%	0.111	C	C	.	.			trans	-54.7	145.9	169.1	-57.1	-170.6	-178.4	0	0	111.8	T421 K423 S554 Q612	E419-T421 HydrophobicContact CB-CG2 4.08Å; E419-T421 PolarHBondContact O-N 3.42Å; E419-K423 IonicContact OE2-NZ 3.27Å; E419-S554 PolarHBondContact N-O 3.42Å; E419-Q612 HydrophobicContact CG-CG 3.95Å; E419-Q612 VanDerWaalsContact CG-NE2 3.33Å; E419-Q612 VanDerWaalsContact OE1-CG 3.3Å; E419-Q612 WeakPolarHBondContact OE1-CG 3.45Å; E419-Q612 PolarHBondContact OE1-NE2 3.13Å; E419-Q612 PolarHBondContact OE2-NE2 2.72Å; E419-Q612 VanDerWaalsContact OE2-NE2 3.14Å
420	Y	87.6	Confident	95.1	Very high	52 Å²	52	17.2 Å²	17.2	20%	0.204	10%	0.101	C	C	.	.	S	Bend	trans	-76.4	63.1	175.4	-53.8	-43.8	0	0	0	111.6	E415 F530 M536 V538 Y540 K553	E415-Y420 PolarHBondContact OE2-OH 2.65Å; Y420-F530 VanDerWaalsContact CB-CZ 3.45Å; Y420-F530 HydrophobicContact CD2-CD1 4.49Å; Y420-F530 AromaticContact CD2-CE1 3.52Å; Y420-F530 HydrophobicContact CD2-CE1 3.52Å; Y420-F530 AromaticContact CD2-CZ 3.81Å; Y420-F530 HydrophobicContact CD2-CZ 3.81Å; Y420-F530 HydrophobicContact CE2-CE1 4.3Å; Y420-F530 HydrophobicContact CG-CD1 4.46Å; Y420-F530 AromaticContact CG-CE1 3.79Å; Y420-F530 HydrophobicContact CG-CE1 3.79Å; Y420-F530 AromaticContact CG-CZ 3.98Å; Y420-F530 HydrophobicContact CG-CZ 3.98Å; Y420-M536 HydrophobicContact CD1-CE 4.13Å; Y420-M536 HydrophobicContact CD1-CG 4.1Å; Y420-M536 HydrophobicContact CD1-SD 3.88Å; Y420-M536 HydrophobicContact CE1-CE 4.17Å; Y420-M536 HydrophobicContact CE1-CG 4.15Å; Y420-M536 HydrophobicContact CE1-SD 3.51Å; Y420-M536 VanDerWaalsContact CE1-SD 3.51Å; Y420-V538 HydrophobicContact CE1-CG2 3.5Å; Y420-V538 VanDerWaalsContact CE1-CG2 3.5Å; Y420-Y540 PolarHBondContact OH-OH 3.49Å; Y420-K553 PolarHBondContact OH-NZ 3.28Å
421	T	92.5	Very high	94.7	Very high	38 Å²	38	18 Å²	18	23%	0.233	11%	0.108	C	C	.	.	S	Bend	trans	-140.9	162.6	-176	71.4	0	0	0	0	112	E419 K423 G528	E419-T421 HydrophobicContact CB-CG2 4.08Å; E419-T421 PolarHBondContact O-N 3.42Å; T421-K423 PolarHBondContact O-N 2.71Å; T421-K423 WeakPolarHBondContact OG1-CB 3.29Å; T421-K423 WeakPolarHBondContact OG1-CG 3.42Å; T421-K423 PolarHBondContact OG1-N 3.06Å; T421-G528 CarbonylContact C-O 3.53Å; T421-G528 VanDerWaalsContact C-O 3.32Å; T421-G528 CarbonylContact O-C 3.51Å; T421-G528 WeakPolarHBondContact O-CA 3.34Å
422	D	93.6	Very high	94.2	Very high	35 Å²	35	19.2 Å²	19.2	19%	0.187	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	12.6	175.5	71.7	-15.7	0	0	0	113.7	M424 G528 R583 S584 Y587	D422-M424 VanDerWaalsContact C-N 3.28Å; D422-M424 PolarHBondContact O-N 3.32Å; D422-G528 PolarHBondContact N-O 3.19Å; D422-R583 IonicContact OD1-NH1 2.75Å; D422-R583 PolarHBondContact OD1-NH1 2.03Å; D422-S584 WeakPolarHBondContact OD2-CB 3.08Å; D422-S584 PolarHBondContact OD2-N 3.15Å; D422-S584 VanDerWaalsContact OD2-N 3.08Å; D422-Y587 WeakPolarHBondContact O-CE2 3.4Å
423	K	95.6	Very high	94	Very high	16 Å²	16	18.8 Å²	18.8	7%	0.07	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-34.6	177.2	-73.6	-179.2	173.4	-178.6	0	112.3	E419 T421 S555 V556 E558 L561 Y587 S610	E419-K423 IonicContact OE2-NZ 3.27Å; T421-K423 PolarHBondContact O-N 2.71Å; T421-K423 WeakPolarHBondContact OG1-CB 3.29Å; T421-K423 WeakPolarHBondContact OG1-CG 3.42Å; T421-K423 PolarHBondContact OG1-N 3.06Å; K423-S555 WeakPolarHBondContact CD-OG 3.48Å; K423-V556 HydrophobicContact CB-CG1 4.12Å; K423-E558 WeakPolarHBondContact CE-OE2 3.36Å; K423-E558 IonicContact NZ-OE2 2.6Å; K423-L561 HydrophobicContact CB-CD2 4.19Å; K423-L561 HydrophobicContact CG-CD2 4.3Å; K423-Y587 PolarHBondContact O-OH 3.02Å; K423-S610 PolarHBondContact NZ-OG 2.79Å
424	M	95.4	Very high	93.9	Very high	11 Å²	11	18.9 Å²	18.9	5%	0.054	11%	0.114	C	C	.	.	S	Bend	trans	-112	114.9	179.1	-53.3	-70.4	-72	0	0	108.4	L418 D422 L435 G528 V556 Y604	L418-M424 HydrophobicContact CD2-CG 4.36Å; D422-M424 VanDerWaalsContact C-N 3.28Å; D422-M424 PolarHBondContact O-N 3.32Å; M424-L435 HydrophobicContact CB-CD1 4.23Å; M424-L435 HydrophobicContact CE-CD2 4.01Å; M424-G528 PolarHBondContact O-N 2.83Å; M424-V556 HydrophobicContact SD-CB 3.53Å; M424-V556 VanDerWaalsContact SD-CB 3.53Å; M424-V556 HydrophobicContact SD-CG1 3.54Å; M424-V556 VanDerWaalsContact SD-CG1 3.54Å; M424-V556 PolarHBondContact SD-N 3.33Å; M424-Y604 HydrophobicContact CE-CD1 3.21Å; M424-Y604 HydrophobicContact CE-CD2 3.88Å; M424-Y604 HydrophobicContact CE-CE1 3.62Å; M424-Y604 HydrophobicContact CE-CE2 4.22Å; M424-Y604 HydrophobicContact CE-CG 3.38Å; M424-Y604 HydrophobicContact SD-CD1 3.44Å; M424-Y604 WeakPolarHBondContact SD-CD1 3.43Å; M424-Y604 HydrophobicContact SD-CE1 3.39Å; M424-Y604 WeakPolarHBondContact SD-CE1 3.43Å; M424-Y604 HydrophobicContact SD-CG 4.24Å
425	A	96.7	Very high	93.8	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	155.8	176.2	0	0	0	0	0	111.5	A526 L527 Y587 Y604	A425-A526 CarbonylContact C-O 3.57Å; A425-A526 WeakPolarHBondContact CA-O 3.44Å; A425-A526 WeakPolarHBondContact CB-O 3.46Å; A425-L527 HydrophobicContact CB-CD2 3.81Å; A425-Y587 HydrophobicContact CB-CD1 3.81Å; A425-Y587 HydrophobicContact CB-CD2 3.52Å; A425-Y587 HydrophobicContact CB-CE1 3.98Å; A425-Y587 HydrophobicContact CB-CE2 3.69Å; A425-Y587 HydrophobicContact CB-CG 3.57Å; A425-Y604 PolarHBondContact N-OH 3.16Å; A425-Y604 WeakPolarHBondContact O-CE2 3.35Å; A425-Y604 PolarHBondContact O-OH 3.05Å
426	I	96.4	Very high	93.7	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.9	178.1	-53.5	149.7	0	0	0	108	F433 L435 Y517 T519 A525 A526 E535	I426-F433 HydrophobicContact CB-CD1 4.4Å; I426-F433 HydrophobicContact CG1-CD1 4.38Å; I426-F433 HydrophobicContact CG2-CB 3.66Å; I426-F433 HydrophobicContact CG2-CD1 3.88Å; I426-F433 HydrophobicContact CG2-CG 3.93Å; I426-L435 HydrophobicContact CD1-CD1 4.29Å; I426-L435 HydrophobicContact CG1-CD1 3.7Å; I426-L435 HydrophobicContact CG1-CG 4.3Å; I426-Y517 HydrophobicContact CD1-CD1 3.72Å; I426-Y517 HydrophobicContact CD1-CD2 3.41Å; I426-Y517 VanDerWaalsContact CD1-CD2 3.41Å; I426-Y517 HydrophobicContact CD1-CE1 4.18Å; I426-Y517 HydrophobicContact CD1-CE2 3.9Å; I426-Y517 HydrophobicContact CD1-CG 3.29Å; I426-Y517 HydrophobicContact CG1-CD2 3.83Å; I426-Y517 HydrophobicContact CG1-CE2 4.38Å; I426-Y517 HydrophobicContact CG1-CG 4.1Å; I426-T519 HydrophobicContact CB-CG2 4.18Å; I426-T519 HydrophobicContact CG2-CG2 3.48Å; I426-T519 VanDerWaalsContact CG2-CG2 3.48Å; I426-A525 CarbonylContact O-C 3.52Å; I426-A525 VanDerWaalsContact O-CA 3.23Å; I426-A525 WeakPolarHBondContact O-CA 3.37Å; I426-A526 HydrophobicContact CB-CB 4.31Å; I426-A526 HydrophobicContact CD1-CB 4.36Å; I426-A526 PolarHBondContact N-O 2.95Å; I426-A526 PolarHBondContact O-N 3.12Å; I426-E535 HydrophobicContact CD1-CB 3.99Å; I426-E535 HydrophobicContact CD1-CG 3.73Å
427	P	97	Very high	93.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.116	C	C	.	.			trans	-58.9	153.5	174.8	-24.6	35.3	0	0	0	112.3	Q430 F433 T519 W592 I597 L600	P427-Q430 HydrophobicContact CB-CG 4.17Å; P427-Q430 WeakPolarHBondContact O-CG 3.35Å; P427-F433 HydrophobicContact CG-CD2 4.39Å; P427-F433 HydrophobicContact CG-CE2 4.03Å; P427-F433 HydrophobicContact CG-CZ 4.29Å; P427-T519 WeakPolarHBondContact O-CB 3.02Å; P427-T519 PolarHBondContact O-OG1 2.76Å; P427-W592 HydrophobicContact CB-CD2 3.94Å; P427-W592 HydrophobicContact CB-CE3 4.01Å; P427-W592 HydrophobicContact CB-CG 4.21Å; P427-W592 HydrophobicContact CG-CD2 4.35Å; P427-W592 HydrophobicContact CG-CE3 4.01Å; P427-W592 HydrophobicContact CG-CZ3 4.1Å; P427-I597 HydrophobicContact CB-CD1 4.47Å; P427-I597 HydrophobicContact CB-CG1 3.83Å; P427-I597 HydrophobicContact CG-CG1 4.03Å; P427-I597 HydrophobicContact CG-CG2 4.42Å; P427-L600 HydrophobicContact CG-CD2 3.64Å
428	P	96.8	Very high	93.5	Very high	20 Å²	20	19.3 Å²	19.3	13%	0.13	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	163.6	171.7	29.7	-32.4	0	0	0	111.9	Q430 D522 W592	P428-Q430 VanDerWaalsContact C-N 3.3Å; P428-Q430 PolarHBondContact O-N 2.78Å; P428-Q430 PolarHBondContact O-NE2 3.29Å; P428-D522 HydrophobicContact CB-CB 4.19Å; P428-D522 VanDerWaalsContact CB-O 3.24Å; P428-D522 WeakPolarHBondContact CB-O 3.25Å; P428-W592 HydrophobicContact CG-CB 4.25Å; P428-W592 HydrophobicContact CG-CG 4.13Å
429	G	94.5	Very high	93.5	Very high	45 Å²	45	18.9 Å²	18.9	46%	0.464	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	13.4	172.6	0	0	0	0	0	115.1	T519	G429-T519 WeakPolarHBondContact CA-O 3.46Å; G429-T519 PolarHBondContact N-O 3.01Å
430	Q	91.1	Very high	93.5	Very high	26 Å²	26	18.3 Å²	18.3	12%	0.121	11%	0.113	C	C	.	.			trans	-93.4	129.8	-176.5	-52.9	-54.5	-64.4	0	0	111	P427 P428 A432 F433 N518 T519 K520	P427-Q430 HydrophobicContact CB-CG 4.17Å; P427-Q430 WeakPolarHBondContact O-CG 3.35Å; P428-Q430 VanDerWaalsContact C-N 3.3Å; P428-Q430 PolarHBondContact O-N 2.78Å; P428-Q430 PolarHBondContact O-NE2 3.29Å; Q430-A432 VanDerWaalsContact C-N 3.31Å; Q430-F433 HydrophobicContact CB-CB 3.89Å; Q430-F433 HydrophobicContact CG-CB 4.05Å; Q430-F433 HydrophobicContact CG-CD2 4.14Å; Q430-F433 HydrophobicContact CG-CG 4.43Å; Q430-N518 CarbonylContact O-C 3.42Å; Q430-N518 WeakPolarHBondContact O-CA 3.48Å; Q430-N518 PolarHBondContact O-OD1 2.04Å; Q430-T519 VanDerWaalsContact CB-OG1 3.31Å; Q430-T519 WeakPolarHBondContact CB-OG1 3.4Å; Q430-T519 PolarHBondContact N-OG1 3Å; Q430-T519 CarbonylContact O-C 3.5Å; Q430-T519 PolarHBondContact O-N 3.31Å; Q430-K520 PolarHBondContact O-N 3.43Å; Q430-K520 VanDerWaalsContact O-N 3.16Å
431	T	88.5	Confident	93.9	Very high	62 Å²	62	16.7 Å²	16.7	38%	0.38	11%	0.11	S	C	.	.	S	Bend	trans	-70.5	-33.7	168.8	-52.4	0	0	0	0	111.3
432	A	87.3	Confident	93.9	Very high	25 Å²	25	17.7 Å²	17.7	21%	0.207	11%	0.114	C	C	.	.	S	Bend	trans	-156.8	68.9	-161.1	0	0	0	0	0	112.3	Q430 P434 I669	Q430-A432 VanDerWaalsContact C-N 3.31Å; A432-P434 WeakPolarHBondContact O-CD 3.49Å; A432-I669 VanDerWaalsContact CA-CD1 3.44Å; A432-I669 HydrophobicContact CB-CB 4.39Å; A432-I669 HydrophobicContact CB-CD1 3.14Å; A432-I669 HydrophobicContact CB-CG1 3.7Å
433	F	91.6	Very high	94	Very high	6 Å²	6	16 Å²	16	3%	0.026	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	117.2	177.7	-164.2	-93.1	0	0	0	111.2	I426 P427 Q430 L435 Y516 Y517 I597 L600 Y604	I426-F433 HydrophobicContact CB-CD1 4.4Å; I426-F433 HydrophobicContact CG1-CD1 4.38Å; I426-F433 HydrophobicContact CG2-CB 3.66Å; I426-F433 HydrophobicContact CG2-CD1 3.88Å; I426-F433 HydrophobicContact CG2-CG 3.93Å; P427-F433 HydrophobicContact CG-CD2 4.39Å; P427-F433 HydrophobicContact CG-CE2 4.03Å; P427-F433 HydrophobicContact CG-CZ 4.29Å; Q430-F433 HydrophobicContact CB-CB 3.89Å; Q430-F433 HydrophobicContact CG-CB 4.05Å; Q430-F433 HydrophobicContact CG-CD2 4.14Å; Q430-F433 HydrophobicContact CG-CG 4.43Å; F433-L435 HydrophobicContact CD1-CD2 4.09Å; F433-L435 HydrophobicContact CD1-CG 4.27Å; F433-L435 HydrophobicContact CE1-CD2 3.62Å; F433-L435 HydrophobicContact CE1-CG 4.3Å; F433-Y516 WeakPolarHBondContact O-CA 3.37Å; F433-Y517 PolarHBondContact N-O 2.95Å; F433-Y517 WeakPolarHBondContact O-CD2 3.35Å; F433-Y517 PolarHBondContact O-N 3.02Å; F433-I597 HydrophobicContact CD2-CG2 4.21Å; F433-I597 HydrophobicContact CE2-CG2 3.9Å; F433-L600 HydrophobicContact CZ-CD2 4.14Å; F433-Y604 HydrophobicContact CE1-CD2 4.12Å; F433-Y604 AromaticContact CE1-CE2 3.95Å; F433-Y604 HydrophobicContact CE1-CE2 3.95Å; F433-Y604 HydrophobicContact CZ-CD2 4.19Å; F433-Y604 HydrophobicContact CZ-CE2 4.12Å
434	P	91.4	Very high	94	Very high	11 Å²	11	15.4 Å²	15.4	7%	0.071	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	136.4	177.8	30.5	-33.9	0	0	0	112.7	A432 T514 C515 Y516 Y601	A432-P434 WeakPolarHBondContact O-CD 3.49Å; P434-T514 HydrophobicContact CB-CG2 4.05Å; P434-C515 CarbonylContact C-O 3.55Å; P434-C515 WeakPolarHBondContact CA-O 3.48Å; P434-Y516 HydrophobicContact CB-CD1 3.95Å; P434-Y516 HydrophobicContact CB-CE1 3.67Å; P434-Y516 HydrophobicContact CB-CG 4.5Å; P434-Y516 HydrophobicContact CG-CE1 4.21Å; P434-Y601 HydrophobicContact CB-CE2 4.48Å; P434-Y601 HydrophobicContact CG-CD2 4.02Å; P434-Y601 HydrophobicContact CG-CE2 3.44Å; P434-Y601 VanDerWaalsContact CG-CE2 3.44Å
435	L	93.9	Very high	94	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.026	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.9	161.4	-61.8	178.2	0	0	0	109.8	L418 M424 I426 F433 T514 C515 Y517 Y604	L418-L435 HydrophobicContact CD1-CB 3.52Å; L418-L435 HydrophobicContact CD1-CD1 3.91Å; L418-L435 HydrophobicContact CD1-CG 4.35Å; M424-L435 HydrophobicContact CB-CD1 4.23Å; M424-L435 HydrophobicContact CE-CD2 4.01Å; I426-L435 HydrophobicContact CD1-CD1 4.29Å; I426-L435 HydrophobicContact CG1-CD1 3.7Å; I426-L435 HydrophobicContact CG1-CG 4.3Å; F433-L435 HydrophobicContact CD1-CD2 4.09Å; F433-L435 HydrophobicContact CD1-CG 4.27Å; F433-L435 HydrophobicContact CE1-CD2 3.62Å; F433-L435 HydrophobicContact CE1-CG 4.3Å; L435-T514 CarbonylContact O-C 3.53Å; L435-T514 WeakPolarHBondContact O-CA 3.49Å; L435-C515 PolarHBondContact N-O 3.29Å; L435-C515 PolarHBondContact O-N 3.39Å; L435-Y517 HydrophobicContact CB-CE2 4.01Å; L435-Y517 HydrophobicContact CD1-CD2 4.33Å; L435-Y517 HydrophobicContact CD1-CE2 3.82Å; L435-Y517 HydrophobicContact CG-CD2 4.3Å; L435-Y517 HydrophobicContact CG-CE2 3.98Å; L435-Y604 HydrophobicContact CD2-CD2 3.65Å; L435-Y604 HydrophobicContact CD2-CE2 3.59Å
436	S	92.9	Very high	93.9	Very high	17 Å²	17	24.2 Å²	24.2	12%	0.119	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.1	-178.7	-62.3	0	0	0	0	111.8	L418 T513 T514	L418-S436 WeakPolarHBondContact CD2-O 3.48Å; S436-T513 CarbonylContact C-O 3.52Å; S436-T513 WeakPolarHBondContact CA-O 3.35Å; S436-T514 WeakPolarHBondContact OG-CG2 3.47Å; S436-T514 PolarHBondContact OG-OG1 3.48Å
437	G	94.9	Very high	93.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.3	169.1	0	0	0	0	0	111.6	G417 V512 T513	G417-G437 WeakPolarHBondContact O-CA 3.49Å; G437-V512 WeakPolarHBondContact O-CA 3.33Å; G437-T513 PolarHBondContact N-O 3.02Å; G437-T513 PolarHBondContact O-N 3.49Å
438	Y	95.2	Very high	93.8	Very high	9 Å²	9	25.6 Å²	25.6	4%	0.035	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131	-171.5	-64.6	-98.6	0	0	0	110.9	V512 S554 L609 M611	Y438-V512 HydrophobicContact CD1-CB 4.32Å; Y438-V512 HydrophobicContact CD1-CG1 3.93Å; Y438-V512 HydrophobicContact CD1-CG2 3.52Å; Y438-V512 HydrophobicContact CE1-CB 4.37Å; Y438-V512 HydrophobicContact CE1-CG1 3.69Å; Y438-V512 HydrophobicContact CE1-CG2 3.71Å; Y438-V512 HydrophobicContact CG-CG1 4.46Å; Y438-V512 HydrophobicContact CG-CG2 4.48Å; Y438-S554 PolarHBondContact N-OG 3.04Å; Y438-L609 HydrophobicContact CD2-CD1 3.68Å; Y438-L609 HydrophobicContact CD2-CD2 4.22Å; Y438-L609 HydrophobicContact CE2-CD1 4.46Å; Y438-L609 HydrophobicContact CG-CD1 3.82Å; Y438-M611 VanDerWaalsContact O-CE 3.23Å; Y438-M611 WeakPolarHBondContact O-CE 3.4Å; Y438-M611 VanDerWaalsContact O-SD 3.36Å
439	C	96.7	Very high	93.8	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.014	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	94.5	155.2	-177	0	0	0	0	107.7	L416 T444 A510 L511 C552	L416-C439 HydrophobicContact CD2-CB 3.91Å; C439-T444 VanDerWaalsContact SG-CG2 3.58Å; C439-A510 VanDerWaalsContact O-CA 3.3Å; C439-A510 WeakPolarHBondContact O-CA 3.43Å; C439-L511 HydrophobicContact CB-CB 4.05Å; C439-L511 PolarHBondContact N-O 3.49Å; C439-L511 PolarHBondContact O-N 2.83Å; C439-C552 WeakPolarHBondContact CA-SG 3.36Å; C439-C552 HydrophobicContact CB-CB 3.73Å; C439-C552 WeakPolarHBondContact CB-SG 3.38Å; C439-C552 WeakPolarHBondContact SG-CB 3.49Å; C439-C552 CovalentContact SG-SG 2.02Å; C439-C552 PolarHBondContact SG-SG 3.43Å
440	V	94.9	Very high	94	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.024	18%	0.177	C	C	.	.			trans	-70.3	153.1	-172.8	-62.7	0	0	0	0	112.6	D442 C443 T444 L609 M611 W627 V630	V440-D442 HydrophobicContact CG2-CB 4.42Å; V440-D442 PolarHBondContact O-N 2.8Å; V440-C443 HydrophobicContact CG2-CB 4.31Å; V440-C443 PolarHBondContact O-N 3.33Å; V440-T444 PolarHBondContact O-N 2.64Å; V440-L609 HydrophobicContact CG1-CD1 4.26Å; V440-M611 HydrophobicContact CB-SD 4.43Å; V440-M611 HydrophobicContact CG1-SD 3.75Å; V440-M611 HydrophobicContact CG2-CE 3.96Å; V440-M611 HydrophobicContact CG2-CG 4.17Å; V440-M611 HydrophobicContact CG2-SD 3.95Å; V440-W627 HydrophobicContact CG2-CZ3 4.43Å; V440-V630 HydrophobicContact CG1-CG1 4.35Å; V440-V630 HydrophobicContact CG2-CG1 4.22Å
441	A	94.2	Very high	94.3	Very high	18 Å²	18	32.7 Å²	32.7	15%	0.149	20%	0.2	C	C	.	.	H	α-helix	trans	-51.3	-33.1	178.9	0	0	0	0	0	114.1	T444 R445 G508 D509	A441-T444 PolarHBondContact O-OG1 3.22Å; A441-R445 WeakPolarHBondContact O-CB 3.25Å; A441-R445 PolarHBondContact O-N 2.85Å; A441-G508 WeakPolarHBondContact CB-O 3.34Å; A441-G508 WeakPolarHBondContact O-CA 3.29Å; A441-D509 WeakPolarHBondContact CA-O 3.36Å
442	D	93.4	Very high	94.8	Very high	60 Å²	60	29.9 Å²	29.9	32%	0.321	18%	0.183	S	C	.	.	H	α-helix	trans	-69.4	-35.1	178.9	-72.4	-7.3	0	0	0	112.6	V440 A446 R624	V440-D442 HydrophobicContact CG2-CB 4.42Å; V440-D442 PolarHBondContact O-N 2.8Å; D442-A446 WeakPolarHBondContact O-CB 3.42Å; D442-A446 PolarHBondContact O-N 3.38Å; D442-A446 VanDerWaalsContact O-N 3.07Å; D442-R624 IonicContact OD2-CZ 2.71Å; D442-R624 IonicContact OD2-NE 2.83Å; D442-R624 IonicContact OD2-NH1 3.89Å; D442-R624 IonicContact OD2-NH2 3.9Å; D442-R624 PolarHBondContact OD2-NH2 2.79Å
443	C	95.4	Very high	95.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.9	-48.1	175.5	-177.1	0	0	0	0	110.7	V440 R445 A446 A447 C552 C613 W627	V440-C443 HydrophobicContact CG2-CB 4.31Å; V440-C443 PolarHBondContact O-N 3.33Å; C443-R445 VanDerWaalsContact C-N 3.27Å; C443-R445 PolarHBondContact O-N 3.08Å; C443-A446 PolarHBondContact O-N 2.79Å; C443-A447 VanDerWaalsContact O-CB 3.22Å; C443-A447 WeakPolarHBondContact O-CB 2.89Å; C443-A447 PolarHBondContact O-N 2.97Å; C443-C552 PolarHBondContact SG-SG 2.83Å; C443-C613 WeakPolarHBondContact CA-SG 3.47Å; C443-C613 HydrophobicContact CB-CB 3.81Å; C443-C613 WeakPolarHBondContact CB-SG 3.25Å; C443-C613 WeakPolarHBondContact SG-CB 3.41Å; C443-C613 CovalentContact SG-SG 2.03Å; C443-C613 PolarHBondContact SG-SG 2.82Å; C443-W627 HydrophobicContact CB-CH2 3.99Å; C443-W627 HydrophobicContact CB-CZ3 4.04Å
444	T	96	Very high	95.6	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-34.2	178.1	64.9	0	0	0	0	111.9	C439 V440 A441 L448 G508 D509	C439-T444 VanDerWaalsContact SG-CG2 3.58Å; V440-T444 PolarHBondContact O-N 2.64Å; A441-T444 PolarHBondContact O-OG1 3.22Å; T444-L448 HydrophobicContact CG2-CD1 4.18Å; T444-L448 VanDerWaalsContact O-CB 3.23Å; T444-L448 WeakPolarHBondContact O-CB 3.37Å; T444-L448 WeakPolarHBondContact O-CG 3.46Å; T444-L448 PolarHBondContact O-N 2.81Å; T444-G508 PolarHBondContact OG1-N 2.86Å; T444-G508 VanDerWaalsContact OG1-N 3.08Å; T444-D509 WeakPolarHBondContact CB-O 3.32Å; T444-D509 WeakPolarHBondContact CG2-O 3.44Å; T444-D509 PolarHBondContact OG1-N 3.43Å; T444-D509 PolarHBondContact OG1-O 3.23Å
445	R	95.1	Very high	96	Very high	158 Å²	158	29.3 Å²	29.3	60%	0.596	18%	0.176	S	C	*	.	H	α-helix	trans	-63.6	-41.5	174.2	-171.1	-174	-53.2	-99.1	-4.2	112.6	A441 C443	A441-R445 WeakPolarHBondContact O-CB 3.25Å; A441-R445 PolarHBondContact O-N 2.85Å; C443-R445 VanDerWaalsContact C-N 3.27Å; C443-R445 PolarHBondContact O-N 3.08Å
446	A	94.3	Very high	96.1	Very high	39 Å²	39	29.1 Å²	29.1	32%	0.322	18%	0.175	S	C	.	.	H	α-helix	trans	-75.3	-31.6	-179.9	0	0	0	0	0	112.7	D442 C443 F621	D442-A446 WeakPolarHBondContact O-CB 3.42Å; D442-A446 PolarHBondContact O-N 3.38Å; D442-A446 VanDerWaalsContact O-N 3.07Å; C443-A446 PolarHBondContact O-N 2.79Å; A446-F621 HydrophobicContact CB-CB 4.36Å
447	A	95.3	Very high	96.3	Very high	13 Å²	13	28.3 Å²	28.3	11%	0.107	17%	0.169	C	C	.	.	H	α-helix	trans	-105.2	-32.5	-167	0	0	0	0	0	115.9	C443 L549 F621	C443-A447 VanDerWaalsContact O-CB 3.22Å; C443-A447 WeakPolarHBondContact O-CB 2.89Å; C443-A447 PolarHBondContact O-N 2.97Å; A447-L549 HydrophobicContact CB-CB 3.76Å; A447-L549 HydrophobicContact CB-CD1 4.36Å; A447-L549 HydrophobicContact CB-CD2 3.69Å; A447-L549 HydrophobicContact CB-CG 4.16Å; A447-F621 HydrophobicContact CB-CD1 3.93Å; A447-F621 HydrophobicContact CB-CD2 4.23Å; A447-F621 HydrophobicContact CB-CE1 3.65Å; A447-F621 HydrophobicContact CB-CE2 3.97Å; A447-F621 HydrophobicContact CB-CG 4.21Å; A447-F621 HydrophobicContact CB-CZ 3.65Å
448	L	97.1	Very high	96.3	Very high	15 Å²	15	28.3 Å²	28.3	8%	0.079	17%	0.169	C	C	.	.	S	Bend	trans	-85.7	148.5	-173.6	-58.9	-173.5	0	0	0	111.9	M414 T444 I453 V505 P507 T547 L549	M414-L448 HydrophobicContact CE-CD2 4.33Å; T444-L448 HydrophobicContact CG2-CD1 4.18Å; T444-L448 VanDerWaalsContact O-CB 3.23Å; T444-L448 WeakPolarHBondContact O-CB 3.37Å; T444-L448 WeakPolarHBondContact O-CG 3.46Å; T444-L448 PolarHBondContact O-N 2.81Å; L448-I453 HydrophobicContact CD1-CD1 4.44Å; L448-I453 HydrophobicContact CD1-CG1 4.25Å; L448-I453 HydrophobicContact CD2-CD1 4.02Å; L448-I453 HydrophobicContact CD2-CG1 4.32Å; L448-I453 HydrophobicContact CD2-CG2 4.03Å; L448-V505 HydrophobicContact CD1-CB 4.38Å; L448-V505 HydrophobicContact CD1-CG1 3.82Å; L448-P507 HydrophobicContact CB-CG 4.02Å; L448-T547 HydrophobicContact CD2-CG2 4.18Å; L448-L549 HydrophobicContact CD2-CD2 4.41Å
449	P	97	Very high	96.3	Very high	45 Å²	45	28.1 Å²	28.1	29%	0.292	17%	0.168	S	C	.	.			trans	-68.6	158.1	174.2	30.2	-36.7	0	0	0	111.1	T451 G452 I453 P507 P545 T547	P449-T451 PolarHBondContact O-N 3.23Å; P449-G452 WeakPolarHBondContact O-CA 3.4Å; P449-G452 PolarHBondContact O-N 2.88Å; P449-I453 HydrophobicContact CG-CG2 4.5Å; P449-P507 VanDerWaalsContact O-CD 3.31Å; P449-P507 WeakPolarHBondContact O-CD 3.46Å; P449-P507 WeakPolarHBondContact O-CG 3.45Å; P449-P545 HydrophobicContact CG-CG 4.39Å; P449-T547 HydrophobicContact CG-CG2 4.35Å
450	A	97.7	Very high	96.1	Very high	98 Å²	98	28.3 Å²	28.3	81%	0.81	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-30	-179.9	0	0	0	0	0	114.2	G452	A450-G452 VanDerWaalsContact C-N 3.26Å; A450-G452 PolarHBondContact O-N 3.35Å
451	T	97.5	Very high	96	Very high	98 Å²	98	28.5 Å²	28.5	60%	0.601	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-9.7	176.2	52.3	0	0	0	0	113.8	P449	P449-T451 PolarHBondContact O-N 3.23Å
452	G	98.2	Very high	95.9	Very high	2 Å²	2	27.6 Å²	27.6	2%	0.021	16%	0.162	C	C	.	.			trans	71.2	-172.2	-170.7	0	0	0	0	0	114	P449 A450 V505	P449-G452 WeakPolarHBondContact O-CA 3.4Å; P449-G452 PolarHBondContact O-N 2.88Å; A450-G452 VanDerWaalsContact C-N 3.26Å; A450-G452 PolarHBondContact O-N 3.35Å; G452-V505 CarbonylContact C-O 3.57Å; G452-V505 WeakPolarHBondContact CA-O 3.35Å
453	I	98.6	Very high	95.7	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	157.5	174.4	62	170.4	0	0	0	110.1	M414 L448 P449 R504 V505 Y543 Y544 T547	M414-I453 HydrophobicContact CE-CD1 4.22Å; L448-I453 HydrophobicContact CD1-CD1 4.44Å; L448-I453 HydrophobicContact CD1-CG1 4.25Å; L448-I453 HydrophobicContact CD2-CD1 4.02Å; L448-I453 HydrophobicContact CD2-CG1 4.32Å; L448-I453 HydrophobicContact CD2-CG2 4.03Å; P449-I453 HydrophobicContact CG-CG2 4.5Å; I453-R504 CarbonylContact O-C 3.58Å; I453-R504 VanDerWaalsContact O-CA 3.25Å; I453-R504 WeakPolarHBondContact O-CA 3.17Å; I453-V505 HydrophobicContact CD1-CB 4.44Å; I453-V505 HydrophobicContact CG1-CB 3.89Å; I453-V505 PolarHBondContact N-O 2.82Å; I453-V505 PolarHBondContact O-N 2.83Å; I453-Y543 HydrophobicContact CB-CD2 3.64Å; I453-Y543 HydrophobicContact CB-CE2 4.33Å; I453-Y543 HydrophobicContact CB-CG 4.3Å; I453-Y543 HydrophobicContact CD1-CD1 4.28Å; I453-Y543 HydrophobicContact CD1-CD2 3.67Å; I453-Y543 HydrophobicContact CD1-CE2 4.14Å; I453-Y543 HydrophobicContact CD1-CG 3.72Å; I453-Y543 HydrophobicContact CG1-CD2 4.23Å; I453-Y543 HydrophobicContact CG2-CD2 3.57Å; I453-Y543 HydrophobicContact CG2-CE2 3.76Å; I453-Y544 CarbonylContact C-O 3.52Å; I453-Y544 WeakPolarHBondContact CA-O 3.49Å; I453-T547 HydrophobicContact CG2-CG2 3.83Å
454	I	98.7	Very high	95.4	Very high	29 Å²	29	28.5 Å²	28.5	15%	0.149	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	118	173.3	-61.6	-177.8	0	0	0	107.5	K502 P503 R504 Y543 Y544	I454-K502 HydrophobicContact CG2-CB 3.66Å; I454-K502 HydrophobicContact CG2-CD 4.44Å; I454-P503 WeakPolarHBondContact CA-O 3.49Å; I454-R504 HydrophobicContact CG1-CB 4.4Å; I454-R504 HydrophobicContact CG1-CG 4.48Å; I454-Y543 CarbonylContact O-C 3.44Å; I454-Y543 WeakPolarHBondContact O-CA 3.2Å; I454-Y543 WeakPolarHBondContact O-CB 3.35Å; I454-Y544 HydrophobicContact CB-CD2 4.37Å; I454-Y544 HydrophobicContact CB-CE1 4.27Å; I454-Y544 HydrophobicContact CB-CE2 3.9Å; I454-Y544 HydrophobicContact CD1-CE2 3.78Å; I454-Y544 HydrophobicContact CG1-CE2 4.2Å; I454-Y544 HydrophobicContact CG2-CE1 4.19Å; I454-Y544 HydrophobicContact CG2-CE2 4.42Å; I454-Y544 PolarHBondContact N-O 2.72Å; I454-Y544 PolarHBondContact O-N 2.76Å
455	I	98.5	Very high	95.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127.8	175.3	-54.2	172.3	0	0	0	107.9	G457 V483 L499 K502 P503 V505 L511 I541 H542	I455-G457 WeakPolarHBondContact CG2-O 3.36Å; I455-V483 HydrophobicContact CD1-CG1 4.04Å; I455-V483 HydrophobicContact CD1-CG2 4.12Å; I455-V483 HydrophobicContact CG2-CG1 4.05Å; I455-L499 HydrophobicContact CB-CD1 4.42Å; I455-L499 HydrophobicContact CG2-CD1 3.75Å; I455-K502 CarbonylContact O-C 3.54Å; I455-K502 WeakPolarHBondContact O-CA 3.48Å; I455-K502 VanDerWaalsContact O-CB 3.24Å; I455-K502 WeakPolarHBondContact O-CB 3.29Å; I455-P503 HydrophobicContact CB-CG 4.07Å; I455-P503 HydrophobicContact CD1-CG 4.36Å; I455-P503 PolarHBondContact N-O 2.97Å; I455-P503 WeakPolarHBondContact O-CD 3.44Å; I455-V505 HydrophobicContact CD1-CG2 3.65Å; I455-V505 HydrophobicContact CG1-CG2 4.19Å; I455-L511 HydrophobicContact CD1-CD1 4.38Å; I455-I541 HydrophobicContact CD1-CB 4.49Å; I455-I541 HydrophobicContact CD1-CD1 3.66Å; I455-I541 HydrophobicContact CD1-CG2 4.39Å; I455-I541 HydrophobicContact CG1-CD1 3.95Å; I455-I541 HydrophobicContact CG2-CB 3.83Å; I455-I541 HydrophobicContact CG2-CG2 4.03Å; I455-H542 WeakPolarHBondContact CA-O 3.43Å
456	F	97.5	Very high	95.2	Very high	1 Å²	1	23 Å²	23	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	-14.4	-179.2	66.6	-94.9	0	0	0	113.9	F358 Y360 P361 A411 L499 K502 H542 Y544	F358-F456 HydrophobicContact CE1-CE2 4.06Å; F358-F456 HydrophobicContact CZ-CD2 4.27Å; F358-F456 AromaticContact CZ-CE2 3.88Å; F358-F456 HydrophobicContact CZ-CE2 3.88Å; Y360-F456 AromaticContact CD1-CE2 3.9Å; Y360-F456 HydrophobicContact CD1-CE2 3.9Å; Y360-F456 AromaticContact CD1-CZ 3.55Å; Y360-F456 HydrophobicContact CD1-CZ 3.55Å; Y360-F456 HydrophobicContact CE1-CE2 4.26Å; Y360-F456 AromaticContact CE1-CZ 3.76Å; Y360-F456 HydrophobicContact CE1-CZ 3.76Å; Y360-F456 HydrophobicContact CG-CE2 4.46Å; P361-F456 VanDerWaalsContact CD-CD2 3.44Å; P361-F456 VanDerWaalsContact CD-CE2 3.41Å; P361-F456 HydrophobicContact CG-CB 4.31Å; P361-F456 HydrophobicContact CG-CD1 4.26Å; P361-F456 HydrophobicContact CG-CD2 3.85Å; P361-F456 HydrophobicContact CG-CE2 4.19Å; P361-F456 HydrophobicContact CG-CG 3.88Å; A411-F456 HydrophobicContact CB-CE1 4.07Å; A411-F456 HydrophobicContact CB-CZ 4Å; F456-L499 PolarHBondContact O-N 3.26Å; F456-K502 HydrophobicContact CB-CD 3.98Å; F456-K502 HydrophobicContact CB-CG 4.19Å; F456-H542 VanDerWaalsContact CD1-O 3.32Å; F456-H542 WeakPolarHBondContact CD1-O 3.46Å; F456-H542 HydrophobicContact CD2-CB 4.22Å; F456-H542 HydrophobicContact CE1-CB 4.02Å; F456-H542 HydrophobicContact CE2-CB 3.65Å; F456-H542 HydrophobicContact CZ-CB 3.55Å; F456-H542 PolarHBondContact N-O 3.29Å; F456-Y544 AromaticContact CD1-CD1 3.5Å; F456-Y544 HydrophobicContact CD1-CD1 3.5Å; F456-Y544 AromaticContact CD1-CE1 3.9Å; F456-Y544 HydrophobicContact CD1-CE1 3.9Å; F456-Y544 AromaticContact CE1-CD1 3.82Å; F456-Y544 HydrophobicContact CE1-CD1 3.82Å; F456-Y544 HydrophobicContact CG-CD1 4.49Å
457	G	96.1	Very high	95.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	152.2	175	0	0	0	0	0	111.7	I455 R497 I541 H542	I455-G457 WeakPolarHBondContact CG2-O 3.36Å; G457-R497 CarbonylContact C-O 3.45Å; G457-R497 WeakPolarHBondContact CA-O 3.43Å; G457-I541 WeakPolarHBondContact O-CA 3.37Å; G457-H542 PolarHBondContact N-O 3.23Å; G457-H542 PolarHBondContact O-N 3.22Å
458	S	95.7	Very high	95	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	133.5	178.9	172.4	0	0	0	0	110.4	N484 R497 N539 Y540	S458-N484 WeakPolarHBondContact CB-ND2 3.28Å; S458-N484 WeakPolarHBondContact OG-CB 3.26Å; S458-N484 PolarHBondContact OG-ND2 3.26Å; S458-R497 PolarHBondContact N-O 3.26Å; S458-R497 PolarHBondContact O-N 2.72Å; S458-N539 VanDerWaalsContact OG-CG 3.27Å; S458-N539 PolarHBondContact OG-ND2 2.78Å; S458-N539 VanDerWaalsContact OG-ND2 3.14Å; S458-N539 PolarHBondContact OG-OD1 3.19Å; S458-Y540 CarbonylContact C-O 3.57Å; S458-Y540 WeakPolarHBondContact CA-O 3.5Å
459	Q	93.4	Very high	94.9	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.019	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	110.2	170.1	-177.6	178	30	0	0	109	Q494 M496 N539 Y540	Q459-Q494 PolarHBondContact NE2-O 3.48Å; Q459-M496 HydrophobicContact CB-CE 3.84Å; Q459-M496 HydrophobicContact CB-SD 3.57Å; Q459-M496 VanDerWaalsContact CB-SD 3.57Å; Q459-M496 HydrophobicContact CG-CE 4.36Å; Q459-N539 WeakPolarHBondContact O-CA 3.4Å; Q459-Y540 HydrophobicContact CB-CD2 4.48Å; Q459-Y540 PolarHBondContact N-O 2.99Å; Q459-Y540 PolarHBondContact O-N 3.23Å
460	L	94.3	Very high	94.7	Very high	6 Å²	6	18.7 Å²	18.7	3%	0.031	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	139.3	174.4	-58.2	177.6	0	0	0	108.7	V469 N484 D486 Y489 N539	L460-V469 HydrophobicContact CB-CB 4.12Å; L460-V469 HydrophobicContact CB-CG1 3.95Å; L460-V469 HydrophobicContact CD1-CB 3.98Å; L460-V469 HydrophobicContact CD1-CG1 4.14Å; L460-V469 HydrophobicContact CD2-CB 4.49Å; L460-V469 HydrophobicContact CD2-CG1 3.73Å; L460-V469 HydrophobicContact CG-CB 4.4Å; L460-V469 HydrophobicContact CG-CG1 4.12Å; L460-N484 HydrophobicContact CD1-CB 4.44Å; L460-N484 HydrophobicContact CD2-CB 4.34Å; L460-D486 HydrophobicContact CD1-CB 3.83Å; L460-Y489 HydrophobicContact CB-CD2 4.33Å; L460-Y489 HydrophobicContact CB-CE2 4.04Å; L460-N539 HydrophobicContact CD2-CB 3.85Å
461	H	91.8	Very high	94.7	Very high	8 Å²	8	14 Å²	14	4%	0.037	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	131.2	-175.7	-177.9	70.3	0	0	0	112.1	H463 Y489 Q494 V538 Y540	H461-H463 AromaticContact CE1-CD2 3.99Å; H461-H463 AromaticContact NE2-CD2 3.5Å; H461-H463 AromaticContact NE2-NE2 3.58Å; H461-Y489 WeakPolarHBondContact CA-OH 3.45Å; H461-Q494 PolarHBondContact CE1-OE1 3.26Å; H461-Q494 PolarHBondContact ND1-OE1 2.84Å; H461-V538 HydrophobicContact CB-CB 4.28Å; H461-V538 PolarHBondContact N-O 2.89Å; H461-V538 PolarHBondContact O-N 2.82Å; H461-Y540 HydrophobicContact CB-CE2 4.03Å
462	T	92.7	Very high	94.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.			trans	-144.5	172.3	166.4	71.3	0	0	0	0	108.8	G466 V469 Y489 Q494 C515 Y517 M536	T462-G466 VanDerWaalsContact OG1-CA 3.29Å; T462-G466 WeakPolarHBondContact OG1-CA 3.26Å; T462-V469 HydrophobicContact CG2-CG2 3.5Å; T462-Y489 HydrophobicContact CG2-CE1 4.34Å; T462-Y489 PolarHBondContact N-OH 2.89Å; T462-Y489 WeakPolarHBondContact OG1-CE1 3.41Å; T462-Q494 PolarHBondContact O-NE2 3Å; T462-C515 HydrophobicContact CG2-CB 3.98Å; T462-Y517 HydrophobicContact CG2-CE1 4.27Å; T462-M536 WeakPolarHBondContact CA-O 3.26Å; T462-M536 WeakPolarHBondContact CB-O 3.02Å
463	H	89.4	Confident	94.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.048	C	C	.	.			trans	-93.9	-150	168	-58	168.4	0	0	0	110.6	H461 R465 G466 N491 F530 S531 I532 D534 E535	H461-H463 AromaticContact CE1-CD2 3.99Å; H461-H463 AromaticContact NE2-CD2 3.5Å; H461-H463 AromaticContact NE2-NE2 3.58Å; H463-R465 VanDerWaalsContact C-N 3.33Å; H463-R465 PolarHBondContact O-N 3.44Å; H463-G466 PolarHBondContact O-N 3.09Å; H463-N491 WeakPolarHBondContact O-CB 3.34Å; H463-F530 PolarHBondContact CE1-O 3.4Å; H463-S531 PolarHBondContact CE1-O 2.85Å; H463-S531 PolarHBondContact ND1-O 3.27Å; H463-I532 HydrophobicContact CB-CG1 4.46Å; H463-I532 WeakPolarHBondContact CB-O 3.16Å; H463-D534 VanDerWaalsContact CB-O 3.25Å; H463-D534 WeakPolarHBondContact CB-O 3.38Å; H463-D534 PolarHBondContact ND1-O 3.23Å; H463-E535 WeakPolarHBondContact CA-OE2 3.17Å; H463-E535 WeakPolarHBondContact CB-OE2 3.17Å; H463-E535 PolarHBondContact N-OE2 3.44Å
464	L	88.4	Confident	94.2	Very high	78 Å²	78	9.6 Å²	9.6	41%	0.408	5%	0.048	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.4	-160.8	-61.9	175.1	0	0	0	114.6	N491 I532 E535	L464-N491 PolarHBondContact O-ND2 3.3Å; L464-I532 HydrophobicContact CD1-CG1 4.23Å; L464-I532 WeakPolarHBondContact CD1-O 3.45Å; L464-I532 HydrophobicContact CD2-CD1 3.92Å; L464-I532 HydrophobicContact CD2-CG1 3.86Å; L464-I532 HydrophobicContact CG-CD1 4.41Å; L464-I532 HydrophobicContact CG-CG1 3.81Å; L464-I532 WeakPolarHBondContact CG-O 3.14Å; L464-E535 PolarHBondContact N-OE1 2.75Å; L464-E535 VanDerWaalsContact N-OE1 3.17Å
465	R	92.7	Very high	94	Very high	44 Å²	44	13 Å²	13	17%	0.166	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-15.9	-174.5	-61.8	152.3	175.6	82.9	8.7	112.6	H463 V467 Y517 N518 T519 D522 S533 E535	H463-R465 VanDerWaalsContact C-N 3.33Å; H463-R465 PolarHBondContact O-N 3.44Å; R465-V467 PolarHBondContact O-N 3.3Å; R465-Y517 HydrophobicContact CB-CD1 3.96Å; R465-Y517 CarbonylContact O-C 3.35Å; R465-Y517 VanDerWaalsContact O-CA 3.25Å; R465-Y517 WeakPolarHBondContact O-CA 3.46Å; R465-N518 WeakPolarHBondContact CB-O 3.39Å; R465-N518 WeakPolarHBondContact CG-O 3.19Å; R465-N518 PolarHBondContact O-N 2.68Å; R465-T519 HydrophobicContact CG-CG2 4.24Å; R465-D522 IonicContact CZ-OD1 3.99Å; R465-D522 IonicContact CZ-OD2 3.56Å; R465-D522 IonicContact NE-OD1 2.86Å; R465-D522 IonicContact NE-OD2 2.89Å; R465-D522 PolarHBondContact NE-OD2 3.02Å; R465-D522 IonicContact NH2-OD1 3.14Å; R465-D522 PolarHBondContact NH2-OD1 3.36Å; R465-D522 IonicContact NH2-OD2 3.04Å; R465-D522 PolarHBondContact NH2-OD2 2.67Å; R465-S533 PolarHBondContact NH1-O 2.71Å; R465-E535 WeakPolarHBondContact CA-OE1 3.3Å; R465-E535 HydrophobicContact CB-CG 4.24Å; R465-E535 WeakPolarHBondContact CB-OE1 3.09Å; R465-E535 WeakPolarHBondContact CD-OE1 3.38Å; R465-E535 WeakPolarHBondContact CG-OE1 3.42Å; R465-E535 PolarHBondContact N-OE1 3.49Å; R465-E535 IonicContact NH1-OE1 2.67Å
466	G	93.5	Very high	93.7	Very high	2 Å²	2	15.3 Å²	15.3	2%	0.021	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	126.8	-178.3	0	0	0	0	0	111.5	T462 H463 Y516	T462-G466 VanDerWaalsContact OG1-CA 3.29Å; T462-G466 WeakPolarHBondContact OG1-CA 3.26Å; H463-G466 PolarHBondContact O-N 3.09Å; G466-Y516 WeakPolarHBondContact CA-O 3.42Å
467	V	92.5	Very high	93.2	Very high	21 Å²	21	22.3 Å²	22.3	13%	0.127	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	-11.9	-174.6	-68.9	0	0	0	0	113.5	R141 R465 Y489 Y516 N518 I669	R141-V467 PolarHBondContact NH1-O 3.02Å; R141-V467 PolarHBondContact NH2-O 3.46Å; R465-V467 PolarHBondContact O-N 3.3Å; V467-Y489 PolarHBondContact O-N 3.35Å; V467-Y516 WeakPolarHBondContact CG2-O 2.89Å; V467-Y516 PolarHBondContact N-O 3.22Å; V467-N518 HydrophobicContact CG1-CB 3.8Å; V467-N518 HydrophobicContact CG2-CB 4.36Å; V467-I669 HydrophobicContact CG2-CD1 3.66Å; V467-I669 HydrophobicContact CG2-CG2 4.15Å
468	R	93.3	Very high	93	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	138.7	176.8	165	174.5	-164.4	-148.8	-14.6	110.5	R485 D486 D487 C515 Y516 E667 C668	R468-R485 VanDerWaalsContact NH2-CZ 3.29Å; R468-R485 VanDerWaalsContact NH2-NH2 3.18Å; R468-D486 CarbonylContact C-O 3.58Å; R468-D486 VanDerWaalsContact CA-O 3.26Å; R468-D486 WeakPolarHBondContact CA-O 3.37Å; R468-D487 IonicContact CZ-OD1 3.7Å; R468-D487 VanDerWaalsContact CZ-OD1 3.27Å; R468-D487 IonicContact NE-OD1 3.02Å; R468-D487 PolarHBondContact NE-OD1 2.72Å; R468-D487 IonicContact NH2-OD1 3.29Å; R468-D487 PolarHBondContact NH2-OD1 2.89Å; R468-C515 WeakPolarHBondContact O-CA 3.39Å; R468-Y516 HydrophobicContact CB-CD2 4.12Å; R468-Y516 HydrophobicContact CB-CG 4.3Å; R468-Y516 HydrophobicContact CG-CD2 3.72Å; R468-Y516 HydrophobicContact CG-CE2 4.32Å; R468-Y516 HydrophobicContact CG-CG 4.33Å; R468-Y516 PolarHBondContact O-N 2.71Å; R468-E667 IonicContact CZ-OE2 2.71Å; R468-E667 VanDerWaalsContact CZ-OE2 3.29Å; R468-E667 IonicContact NH1-OE2 3.39Å; R468-E667 PolarHBondContact NH1-OE2 3.06Å; R468-E667 IonicContact NH2-OE2 3.65Å; R468-E667 PolarHBondContact NH2-OE2 2.93Å; R468-C668 VanDerWaalsContact NH1-N 3.2Å; R468-C668 PolarHBondContact NH1-O 2.98Å
469	V	94.8	Very high	92.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	139.1	179.4	-172.6	0	0	0	0	110.3	L460 T462 R485 D486 Y489 T513 T514 C515	L460-V469 HydrophobicContact CB-CB 4.12Å; L460-V469 HydrophobicContact CB-CG1 3.95Å; L460-V469 HydrophobicContact CD1-CB 3.98Å; L460-V469 HydrophobicContact CD1-CG1 4.14Å; L460-V469 HydrophobicContact CD2-CB 4.49Å; L460-V469 HydrophobicContact CD2-CG1 3.73Å; L460-V469 HydrophobicContact CG-CB 4.4Å; L460-V469 HydrophobicContact CG-CG1 4.12Å; T462-V469 HydrophobicContact CG2-CG2 3.5Å; V469-R485 CarbonylContact O-C 3.57Å; V469-D486 PolarHBondContact N-O 3.26Å; V469-D486 PolarHBondContact O-N 3.19Å; V469-Y489 HydrophobicContact CB-CD2 4.46Å; V469-Y489 HydrophobicContact CG2-CD1 4.29Å; V469-Y489 HydrophobicContact CG2-CD2 3.96Å; V469-Y489 HydrophobicContact CG2-CE2 4.27Å; V469-Y489 HydrophobicContact CG2-CG 3.96Å; V469-T513 HydrophobicContact CG1-CG2 4.27Å; V469-T514 WeakPolarHBondContact CA-O 3.33Å; V469-C515 HydrophobicContact CG2-CB 4.37Å
470	L	94.1	Very high	92.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	153.2	173.2	68.6	167.1	0	0	0	112.5	R472 N484 R485 T513 T514 Y516	L470-R472 HydrophobicContact CD1-CG 4.38Å; L470-N484 CarbonylContact C-O 3.5Å; L470-N484 WeakPolarHBondContact CA-O 3.39Å; L470-R485 HydrophobicContact CB-CB 4Å; L470-R485 HydrophobicContact CB-CG 4.02Å; L470-T513 CarbonylContact O-C 3.57Å; L470-T513 VanDerWaalsContact O-CA 3.3Å; L470-T513 WeakPolarHBondContact O-CA 3.36Å; L470-T514 HydrophobicContact CD2-CG2 4.44Å; L470-T514 PolarHBondContact N-O 2.89Å; L470-T514 PolarHBondContact O-N 3.25Å; L470-Y516 HydrophobicContact CD2-CD2 4.37Å; L470-Y516 HydrophobicContact CD2-CE2 3.8Å
471	T	96.2	Very high	92.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.1	173.3	-60.4	0	0	0	0	110.8	L416 V483 N484 L511 V512 T513 N539	L416-T471 HydrophobicContact CD1-CG2 4.09Å; T471-V483 HydrophobicContact CG2-CB 3.99Å; T471-V483 HydrophobicContact CG2-CG2 3.95Å; T471-V483 PolarHBondContact O-N 3.27Å; T471-N484 PolarHBondContact N-O 3.33Å; T471-L511 HydrophobicContact CG2-CB 4.41Å; T471-V512 CarbonylContact C-O 3.44Å; T471-V512 VanDerWaalsContact CA-O 3.29Å; T471-V512 WeakPolarHBondContact CA-O 3.33Å; T471-T513 PolarHBondContact OG1-OG1 3.2Å; T471-N539 WeakPolarHBondContact CB-ND2 3.5Å; T471-N539 PolarHBondContact OG1-ND2 3.09Å
472	R	94.4	Very high	92.7	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.011	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	152.4	176.7	-65.3	-177.9	176	97.1	-5.3	111.3	L470 F474 E479 E482 L511 V512 E667	L470-R472 HydrophobicContact CD1-CG 4.38Å; R472-F474 HydrophobicContact CB-CD2 4.28Å; R472-F474 HydrophobicContact CB-CE2 3.44Å; R472-F474 VanDerWaalsContact CB-CE2 3.44Å; R472-F474 HydrophobicContact CB-CZ 3.83Å; R472-F474 HydrophobicContact CG-CE2 4.46Å; R472-F474 HydrophobicContact CG-CZ 4.46Å; R472-E479 WeakPolarHBondContact CD-OE1 3.43Å; R472-E479 IonicContact NE-OE1 3.3Å; R472-E479 PolarHBondContact NE-OE1 3.41Å; R472-E482 HydrophobicContact CG-CG 4.42Å; R472-L511 WeakPolarHBondContact O-CA 3.35Å; R472-V512 PolarHBondContact N-O 3.42Å; R472-V512 PolarHBondContact O-N 3.05Å; R472-E667 IonicContact CZ-OE1 3.6Å; R472-E667 VanDerWaalsContact NH2-CG 3.33Å; R472-E667 IonicContact NH2-OE1 3.85Å; R472-E667 PolarHBondContact NH2-OE1 2.93Å; R472-E667 IonicContact NH2-OE2 3.73Å
473	H	95.9	Very high	92.9	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.019	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.4	179.5	177.9	-157.6	0	0	0	110.1	L480 V483 R504 D509 L511	H473-L480 HydrophobicContact CB-CB 4.41Å; H473-L480 VanDerWaalsContact CE1-CD1 3.47Å; H473-L480 WeakPolarHBondContact CE1-CD1 3.19Å; H473-L480 WeakPolarHBondContact O-CB 3.08Å; H473-L480 PolarHBondContact O-N 2.76Å; H473-V483 HydrophobicContact CB-CG2 4.28Å; H473-R504 PolarHBondContact CE1-O 3.11Å; H473-D509 IonicContact CD2-OD2 3.51Å; H473-D509 IonicContact CE1-OD2 3.88Å; H473-D509 IonicContact NE2-OD2 3.16Å; H473-D509 PolarHBondContact NE2-OD2 2.68Å; H473-L511 HydrophobicContact CB-CD2 3.85Å
474	F	95.3	Very high	93.2	Very high	2 Å²	2	39 Å²	39	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.8	-177.5	-60.5	-88.1	0	0	0	111.9	R472 Q478 E479 D509 A510 V512 V635	R472-F474 HydrophobicContact CB-CD2 4.28Å; R472-F474 HydrophobicContact CB-CE2 3.44Å; R472-F474 VanDerWaalsContact CB-CE2 3.44Å; R472-F474 HydrophobicContact CB-CZ 3.83Å; R472-F474 HydrophobicContact CG-CE2 4.46Å; R472-F474 HydrophobicContact CG-CZ 4.46Å; F474-Q478 WeakPolarHBondContact CA-O 3.41Å; F474-E479 HydrophobicContact CD1-CB 3.89Å; F474-E479 HydrophobicContact CD1-CG 4.18Å; F474-E479 HydrophobicContact CE1-CB 3.65Å; F474-E479 HydrophobicContact CE1-CG 3.68Å; F474-E479 HydrophobicContact CZ-CG 4.19Å; F474-D509 CarbonylContact O-C 3.42Å; F474-D509 WeakPolarHBondContact O-CA 3.38Å; F474-D509 VanDerWaalsContact O-CB 3.29Å; F474-D509 WeakPolarHBondContact O-CB 3.34Å; F474-A510 HydrophobicContact CB-CB 4.38Å; F474-A510 PolarHBondContact N-O 3.3Å; F474-A510 PolarHBondContact O-N 3.3Å; F474-V512 HydrophobicContact CD2-CG2 4.01Å; F474-V512 HydrophobicContact CE2-CB 4.21Å; F474-V512 HydrophobicContact CE2-CG2 3.76Å; F474-V635 HydrophobicContact CB-CG1 4.21Å; F474-V635 HydrophobicContact CD1-CB 3.99Å; F474-V635 HydrophobicContact CD1-CG1 3.69Å; F474-V635 HydrophobicContact CD2-CB 4.4Å; F474-V635 HydrophobicContact CD2-CG1 3.63Å; F474-V635 HydrophobicContact CE1-CB 3.69Å; F474-V635 HydrophobicContact CE1-CG1 3.87Å; F474-V635 HydrophobicContact CE2-CB 4.12Å; F474-V635 HydrophobicContact CE2-CG1 3.79Å; F474-V635 HydrophobicContact CE2-CG2 4.38Å; F474-V635 HydrophobicContact CG-CB 4.33Å; F474-V635 HydrophobicContact CG-CG1 3.57Å; F474-V635 HydrophobicContact CZ-CB 3.76Å; F474-V635 HydrophobicContact CZ-CG1 3.92Å; F474-V635 HydrophobicContact CZ-CG2 4.14Å
475	R	94.2	Very high	93.4	Very high	99 Å²	99	37.3 Å²	37.3	37%	0.374	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	99.5	167.3	-178.9	168.3	-63.9	149.7	13.2	109.1	E477 Q478 L480 R504 L506 D509	R475-E477 PolarHBondContact O-N 2.81Å; R475-Q478 PolarHBondContact N-O 2.69Å; R475-Q478 PolarHBondContact O-N 3.46Å; R475-L480 HydrophobicContact CB-CD1 3.92Å; R475-L480 HydrophobicContact CB-CG 4.41Å; R475-R504 PolarHBondContact NH2-O 3.15Å; R475-L506 VanDerWaalsContact CZ-CD1 3.46Å; R475-L506 VanDerWaalsContact NH2-CG 3.32Å; R475-D509 WeakPolarHBondContact CB-OD1 3.42Å; R475-D509 WeakPolarHBondContact CG-OD1 3.14Å; R475-D509 IonicContact CZ-OD1 3.06Å; R475-D509 IonicContact CZ-OD2 3.74Å; R475-D509 IonicContact NE-OD1 2.64Å; R475-D509 PolarHBondContact NE-OD1 3.29Å; R475-D509 IonicContact NE-OD2 2.9Å; R475-D509 IonicContact NH2-OD1 2.82Å; R475-D509 IonicContact NH2-OD2 3.24Å; R475-D509 PolarHBondContact NH2-OD2 2.95Å
476	G	90.9	Very high	93.5	Very high	50 Å²	50	35.3 Å²	35.3	52%	0.515	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	-130.3	-166.7	0	0	0	0	0	110.4	Q478	G476-Q478 VanDerWaalsContact C-N 3.28Å; G476-Q478 PolarHBondContact O-N 3.45Å
477	E	88.5	Confident	93.4	Very high	147 Å²	147	36 Å²	36	69%	0.687	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.4	178.4	-58.3	-174.4	147.8	0	0	113.6	R475	R475-E477 PolarHBondContact O-N 2.81Å
478	Q	91	Very high	93.4	Very high	117 Å²	117	35.2 Å²	35.2	55%	0.547	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	119.1	-178.6	-175.9	178.7	5.9	0	0	111.1	F474 R475 G476 L480	F474-Q478 WeakPolarHBondContact CA-O 3.41Å; R475-Q478 PolarHBondContact N-O 2.69Å; R475-Q478 PolarHBondContact O-N 3.46Å; G476-Q478 VanDerWaalsContact C-N 3.28Å; G476-Q478 PolarHBondContact O-N 3.45Å; Q478-L480 HydrophobicContact CG-CD2 4.06Å
479	E	91.5	Very high	93.4	Very high	39 Å²	39	35.4 Å²	35.4	18%	0.182	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	121.6	162.8	-168.3	167.1	-167.6	0	0	110	R472 F474 R638	R472-E479 WeakPolarHBondContact CD-OE1 3.43Å; R472-E479 IonicContact NE-OE1 3.3Å; R472-E479 PolarHBondContact NE-OE1 3.41Å; F474-E479 HydrophobicContact CD1-CB 3.89Å; F474-E479 HydrophobicContact CD1-CG 4.18Å; F474-E479 HydrophobicContact CE1-CB 3.65Å; F474-E479 HydrophobicContact CE1-CG 3.68Å; F474-E479 HydrophobicContact CZ-CG 4.19Å; E479-R638 PolarHBondContact OE2-N 3.19Å
480	L	93.7	Very high	93.1	Very high	46 Å²	46	36 Å²	36	24%	0.241	18%	0.175	C	C	.	.			trans	-92.5	-178.2	173.3	-58.9	179.1	0	0	0	109.4	H473 R475 Q478 E482	H473-L480 HydrophobicContact CB-CB 4.41Å; H473-L480 VanDerWaalsContact CE1-CD1 3.47Å; H473-L480 WeakPolarHBondContact CE1-CD1 3.19Å; H473-L480 WeakPolarHBondContact O-CB 3.08Å; H473-L480 PolarHBondContact O-N 2.76Å; R475-L480 HydrophobicContact CB-CD1 3.92Å; R475-L480 HydrophobicContact CB-CG 4.41Å; Q478-L480 HydrophobicContact CG-CD2 4.06Å; L480-E482 PolarHBondContact O-N 3.28Å
481	R	91.4	Very high	92.6	Very high	105 Å²	105	36.8 Å²	36.8	40%	0.396	18%	0.179	S	C	.	.			trans	-61.2	133.1	175.5	-178.1	167.9	175.6	175.5	3.9	109.7	E210 Y501	E210-R481 IonicContact OE1-NH2 3.6Å; E210-R481 PolarHBondContact OE1-NH2 2.86Å; E210-R481 IonicContact OE2-NH2 3.53Å; R481-Y501 HydrophobicContact CB-CD1 4.35Å; R481-Y501 HydrophobicContact CB-CE1 3.95Å; R481-Y501 HydrophobicContact CG-CD1 4.04Å; R481-Y501 HydrophobicContact CG-CE1 4.16Å; R481-Y501 VanDerWaalsContact CZ-CB 3.41Å
482	E	93	Very high	91.8	Very high	47 Å²	47	41.5 Å²	41.5	22%	0.22	20%	0.201	C	C	.	.			trans	-52.2	147.8	174.4	-62.6	171.9	158	0	0	111.2	R472 L480 R485	R472-E482 HydrophobicContact CG-CG 4.42Å; L480-E482 PolarHBondContact O-N 3.28Å; E482-R485 IonicContact OE1-NH1 2.69Å; E482-R485 VanDerWaalsContact OE2-CD 3.23Å; E482-R485 WeakPolarHBondContact OE2-CD 3.14Å
483	V	96.5	Very high	91.3	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.036	21%	0.205	C	C	.	.	S	Bend	trans	-73.8	-46.9	176.2	179.3	0	0	0	0	110.1	I455 T471 H473 L499 P503 L511 I541	I455-V483 HydrophobicContact CD1-CG1 4.04Å; I455-V483 HydrophobicContact CD1-CG2 4.12Å; I455-V483 HydrophobicContact CG2-CG1 4.05Å; T471-V483 HydrophobicContact CG2-CB 3.99Å; T471-V483 HydrophobicContact CG2-CG2 3.95Å; T471-V483 PolarHBondContact O-N 3.27Å; H473-V483 HydrophobicContact CB-CG2 4.28Å; V483-L499 HydrophobicContact CG1-CD1 4Å; V483-L499 WeakPolarHBondContact O-CD2 3.25Å; V483-P503 HydrophobicContact CB-CG 4.48Å; V483-P503 HydrophobicContact CG1-CG 4.34Å; V483-P503 HydrophobicContact CG2-CG 4.13Å; V483-L511 HydrophobicContact CG2-CD2 4.06Å; V483-I541 HydrophobicContact CG1-CG2 4.28Å
484	N	95.2	Very high	90.5	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.048	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	152.5	177.8	-165.9	2.1	0	0	0	109.1	S458 L460 L470 T471 R497 L499	S458-N484 WeakPolarHBondContact CB-ND2 3.28Å; S458-N484 WeakPolarHBondContact OG-CB 3.26Å; S458-N484 PolarHBondContact OG-ND2 3.26Å; L460-N484 HydrophobicContact CD1-CB 4.44Å; L460-N484 HydrophobicContact CD2-CB 4.34Å; L470-N484 CarbonylContact C-O 3.5Å; L470-N484 WeakPolarHBondContact CA-O 3.39Å; T471-N484 PolarHBondContact N-O 3.33Å; N484-R497 PolarHBondContact OD1-NH1 2.96Å; N484-L499 HydrophobicContact CB-CD2 4.34Å
485	R	93.8	Very high	89.9	Confident	43 Å²	43	43.6 Å²	43.6	16%	0.162	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	138.1	179	174.9	170.9	174	175.8	-4.3	109.8	G211 R468 V469 L470 E482 D487 R497	G211-R485 WeakPolarHBondContact CA-O 3.47Å; R468-R485 VanDerWaalsContact NH2-CZ 3.29Å; R468-R485 VanDerWaalsContact NH2-NH2 3.18Å; V469-R485 CarbonylContact O-C 3.57Å; L470-R485 HydrophobicContact CB-CB 4Å; L470-R485 HydrophobicContact CB-CG 4.02Å; E482-R485 IonicContact OE1-NH1 2.69Å; E482-R485 VanDerWaalsContact OE2-CD 3.23Å; E482-R485 WeakPolarHBondContact OE2-CD 3.14Å; R485-D487 WeakPolarHBondContact CG-OD1 3.39Å; R485-D487 IonicContact CZ-OD1 2.84Å; R485-D487 IonicContact CZ-OD2 2.8Å; R485-D487 IonicContact NE-OD1 3.86Å; R485-D487 PolarHBondContact NE-OD1 3.17Å; R485-D487 IonicContact NE-OD2 3.95Å; R485-D487 PolarHBondContact NE-OD2 2.88Å; R485-D487 IonicContact NH2-OD1 3.49Å; R485-D487 PolarHBondContact NH2-OD1 3.12Å; R485-D487 IonicContact NH2-OD2 2.83Å; R485-D487 PolarHBondContact NH2-OD2 2.85Å; R485-R497 PolarHBondContact O-NH1 2.83Å
486	D	93.8	Very high	89.7	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.011	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	104.8	172.9	-164.4	-7.6	0	0	0	110.5	T212 L460 R468 V469 Y488 Y489 R497	T212-D486 WeakPolarHBondContact CB-OD2 3.4Å; T212-D486 VanDerWaalsContact N-CG 3.32Å; T212-D486 PolarHBondContact N-OD1 3.46Å; T212-D486 PolarHBondContact N-OD2 3.47Å; T212-D486 PolarHBondContact OG1-OD2 2.87Å; L460-D486 HydrophobicContact CD1-CB 3.83Å; R468-D486 CarbonylContact C-O 3.58Å; R468-D486 VanDerWaalsContact CA-O 3.26Å; R468-D486 WeakPolarHBondContact CA-O 3.37Å; V469-D486 PolarHBondContact N-O 3.26Å; V469-D486 PolarHBondContact O-N 3.19Å; D486-Y488 PolarHBondContact OD1-N 3.18Å; D486-Y489 HydrophobicContact CB-CD2 4.39Å; D486-Y489 PolarHBondContact OD1-N 3.28Å; D486-R497 IonicContact OD2-CZ 3.98Å; D486-R497 IonicContact OD2-NH1 3.22Å; D486-R497 IonicContact OD2-NH2 3.88Å; D486-R497 PolarHBondContact OD2-NH2 3.08Å
487	D	91.2	Very high	89.7	Confident	17 Å²	17	37.4 Å²	37.4	9%	0.091	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-20.2	-176.2	-66	-20.2	0	0	0	113.1	R141 R468 R485 Y670	R141-D487 PolarHBondContact NH2-O 2.89Å; R141-D487 VanDerWaalsContact NH2-O 3.09Å; R468-D487 IonicContact CZ-OD1 3.7Å; R468-D487 VanDerWaalsContact CZ-OD1 3.27Å; R468-D487 IonicContact NE-OD1 3.02Å; R468-D487 PolarHBondContact NE-OD1 2.72Å; R468-D487 IonicContact NH2-OD1 3.29Å; R468-D487 PolarHBondContact NH2-OD1 2.89Å; R485-D487 WeakPolarHBondContact CG-OD1 3.39Å; R485-D487 IonicContact CZ-OD1 2.84Å; R485-D487 IonicContact CZ-OD2 2.8Å; R485-D487 IonicContact NE-OD1 3.86Å; R485-D487 PolarHBondContact NE-OD1 3.17Å; R485-D487 IonicContact NE-OD2 3.95Å; R485-D487 PolarHBondContact NE-OD2 2.88Å; R485-D487 IonicContact NH2-OD1 3.49Å; R485-D487 PolarHBondContact NH2-OD1 3.12Å; R485-D487 IonicContact NH2-OD2 2.83Å; R485-D487 PolarHBondContact NH2-OD2 2.85Å; D487-Y670 HydrophobicContact CB-CD2 4.21Å
488	Y	92.1	Very high	90	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.012	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	40.1	176	-51	-79.2	0	0	0	110.4	K140 R141 H209 D486 S490 Y670	K140-Y488 HydrophobicContact CB-CD1 3.78Å; K140-Y488 HydrophobicContact CB-CE1 3.34Å; K140-Y488 HydrophobicContact CD-CE1 3.98Å; K140-Y488 HydrophobicContact CG-CD1 4.43Å; K140-Y488 HydrophobicContact CG-CE1 3.52Å; K140-Y488 WeakPolarHBondContact O-CB 3.44Å; K140-Y488 WeakPolarHBondContact O-CD1 3.12Å; R141-Y488 HydrophobicContact CG-CD1 4.03Å; H209-Y488 AromaticContact CD2-CE2 3.8Å; H209-Y488 AromaticContact CE1-CD2 3.72Å; H209-Y488 AromaticContact NE2-CD2 3.08Å; H209-Y488 WeakPolarHBondContact NE2-CD2 3.49Å; H209-Y488 AromaticContact NE2-CE2 3.14Å; H209-Y488 WeakPolarHBondContact NE2-CE2 3.17Å; D486-Y488 PolarHBondContact OD1-N 3.18Å; Y488-S490 PolarHBondContact O-N 2.9Å; Y488-Y670 HydrophobicContact CE1-CG 4.37Å; Y488-Y670 WeakPolarHBondContact OH-CB 3.42Å
489	Y	92.9	Very high	90.2	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.02	13%	0.125	C	C	.	.			trans	-54.9	139.1	178.8	178	-84.5	0	0	0	110.7	L460 H461 T462 V467 V469 D486 N491 Q494	L460-Y489 HydrophobicContact CB-CD2 4.33Å; L460-Y489 HydrophobicContact CB-CE2 4.04Å; H461-Y489 WeakPolarHBondContact CA-OH 3.45Å; T462-Y489 HydrophobicContact CG2-CE1 4.34Å; T462-Y489 PolarHBondContact N-OH 2.89Å; T462-Y489 WeakPolarHBondContact OG1-CE1 3.41Å; V467-Y489 PolarHBondContact O-N 3.35Å; V469-Y489 HydrophobicContact CB-CD2 4.46Å; V469-Y489 HydrophobicContact CG2-CD1 4.29Å; V469-Y489 HydrophobicContact CG2-CD2 3.96Å; V469-Y489 HydrophobicContact CG2-CE2 4.27Å; V469-Y489 HydrophobicContact CG2-CG 3.96Å; D486-Y489 HydrophobicContact CB-CD2 4.39Å; D486-Y489 PolarHBondContact OD1-N 3.28Å; Y489-N491 HydrophobicContact CE1-CB 4.34Å; Y489-Q494 WeakPolarHBondContact OH-CG 3.28Å; Y489-Q494 PolarHBondContact OH-NE2 3.46Å; Y489-Q494 PolarHBondContact OH-OE1 3.37Å
490	S	90	Very high	90.3	Very high	13 Å²	13	28.7 Å²	28.7	9%	0.091	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-126.9	128.1	175.3	178.7	0	0	0	0	109.4	Y214 Y488 H492 F493	Y214-S490 WeakPolarHBondContact OH-CB 3.39Å; Y488-S490 PolarHBondContact O-N 2.9Å; S490-H492 PolarHBondContact O-N 3.25Å; S490-H492 VanDerWaalsContact O-N 3.12Å; S490-H492 PolarHBondContact OG-N 3.46Å; S490-F493 CarbonylContact O-C 3.5Å; S490-F493 PolarHBondContact O-N 3.42Å; S490-F493 VanDerWaalsContact O-O 3.11Å
491	N	82.3	Confident	90.3	Very high	16 Å²	16	31.6 Å²	31.6	9%	0.086	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.9	174.2	66.6	79	0	0	0	112.8	H463 L464 Y489 Q494	H463-N491 WeakPolarHBondContact O-CB 3.34Å; L464-N491 PolarHBondContact O-ND2 3.3Å; Y489-N491 HydrophobicContact CE1-CB 4.34Å; N491-Q494 WeakPolarHBondContact O-CG 3.45Å; N491-Q494 PolarHBondContact O-NE2 3.15Å
492	H	80.7	Confident	90.6	Very high	99 Å²	99	30 Å²	30	46%	0.458	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.6	173	-55.8	-51	0	0	0	113.7	M246 S490	M246-H492 HydrophobicContact CE-CB 4.48Å; S490-H492 PolarHBondContact O-N 3.25Å; S490-H492 VanDerWaalsContact O-N 3.12Å; S490-H492 PolarHBondContact OG-N 3.46Å
493	F	83.9	Confident	90.7	Very high	25 Å²	25	27.7 Å²	27.7	11%	0.11	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-142.4	88.9	-178.6	-170.4	-101.8	0	0	0	111.3	T212 M246 S490 E495	T212-F493 HydrophobicContact CG2-CD1 3.62Å; T212-F493 HydrophobicContact CG2-CE1 4.13Å; M246-F493 HydrophobicContact CB-CB 4.09Å; M246-F493 HydrophobicContact CB-CD1 3.91Å; M246-F493 HydrophobicContact CB-CD2 3.85Å; M246-F493 HydrophobicContact CB-CE1 4.32Å; M246-F493 HydrophobicContact CB-CE2 4.28Å; M246-F493 HydrophobicContact CB-CG 3.66Å; M246-F493 HydrophobicContact CE-CB 3.76Å; M246-F493 HydrophobicContact CE-CG 4.42Å; M246-F493 HydrophobicContact CG-CB 4.48Å; M246-F493 WeakPolarHBondContact O-CE2 3.47Å; M246-F493 WeakPolarHBondContact O-CZ 3.14Å; M246-F493 HydrophobicContact SD-CB 3.62Å; M246-F493 HydrophobicContact SD-CG 4.27Å; S490-F493 CarbonylContact O-C 3.5Å; S490-F493 PolarHBondContact O-N 3.42Å; S490-F493 VanDerWaalsContact O-O 3.11Å; F493-E495 HydrophobicContact CE1-CB 4.34Å; F493-E495 HydrophobicContact CZ-CB 4.35Å
494	Q	79.1	Confident	90.8	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.014	15%	0.151	C	C	.	.			trans	-118.9	61.1	-170.5	-53.4	-168.7	21.7	0	0	111.1	A352 M353 Q459 H461 T462 Y489 N491	A352-Q494 HydrophobicContact CB-CB 3.71Å; A352-Q494 HydrophobicContact CB-CG 4.39Å; M353-Q494 PolarHBondContact O-N 3.02Å; Q459-Q494 PolarHBondContact NE2-O 3.48Å; H461-Q494 PolarHBondContact CE1-OE1 3.26Å; H461-Q494 PolarHBondContact ND1-OE1 2.84Å; T462-Q494 PolarHBondContact O-NE2 3Å; Y489-Q494 WeakPolarHBondContact OH-CG 3.28Å; Y489-Q494 PolarHBondContact OH-NE2 3.46Å; Y489-Q494 PolarHBondContact OH-OE1 3.37Å; N491-Q494 WeakPolarHBondContact O-CG 3.45Å; N491-Q494 PolarHBondContact O-NE2 3.15Å
495	E	82.8	Confident	91	Very high	24 Å²	24	33.8 Å²	33.8	11%	0.112	15%	0.149	C	C	.	.			trans	-61.6	136.7	-176.7	-170.1	179.5	-164.3	0	0	112.2	R251 F493 R497	R251-E495 IonicContact CZ-OE1 2.77Å; R251-E495 IonicContact NH1-OE1 3.56Å; R251-E495 IonicContact NH2-OE1 3.4Å; R251-E495 PolarHBondContact NH2-OE1 2.9Å; F493-E495 HydrophobicContact CE1-CB 4.34Å; F493-E495 HydrophobicContact CZ-CB 4.35Å; E495-R497 HydrophobicContact CB-CG 4.47Å; E495-R497 PolarHBondContact O-N 3.17Å
496	M	88.9	Confident	91.2	Very high	11 Å²	11	34.1 Å²	34.1	5%	0.054	15%	0.154	C	C	.	.			trans	-74.4	102.4	164	-178.4	72.6	72.6	0	0	109	F301 L350 F358 Q459 H542	F301-M496 HydrophobicContact CZ-CE 4.44Å; L350-M496 HydrophobicContact CB-CE 4.11Å; L350-M496 HydrophobicContact CD1-CE 4.03Å; F358-M496 HydrophobicContact CB-CG 4.04Å; F358-M496 HydrophobicContact CD1-CG 4.3Å; F358-M496 HydrophobicContact CD2-CB 4.08Å; F358-M496 HydrophobicContact CD2-CG 3.14Å; F358-M496 HydrophobicContact CD2-SD 4.42Å; F358-M496 HydrophobicContact CE2-CG 3.5Å; F358-M496 HydrophobicContact CE2-SD 4.31Å; F358-M496 HydrophobicContact CG-CG 3.57Å; F358-M496 HydrophobicContact CZ-CG 4.21Å; Q459-M496 HydrophobicContact CB-CE 3.84Å; Q459-M496 HydrophobicContact CB-SD 3.57Å; Q459-M496 VanDerWaalsContact CB-SD 3.57Å; Q459-M496 HydrophobicContact CG-CE 4.36Å; M496-H542 VanDerWaalsContact CE-NE2 3.26Å; M496-H542 WeakPolarHBondContact CE-NE2 2.97Å; M496-H542 VanDerWaalsContact SD-CD2 3.52Å; M496-H542 PolarHBondContact SD-NE2 3.4Å
497	R	91.6	Very high	91.4	Very high	8 Å²	8	36 Å²	36	3%	0.03	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	132.5	-172.8	-67.6	177.8	177.7	159.2	9	111.6	E210 T212 G457 S458 N484 R485 D486 E495	E210-R497 PolarHBondContact O-NH1 2.96Å; T212-R497 VanDerWaalsContact N-NH2 3.2Å; T212-R497 PolarHBondContact OG1-NH2 2.8Å; G457-R497 CarbonylContact C-O 3.45Å; G457-R497 WeakPolarHBondContact CA-O 3.43Å; S458-R497 PolarHBondContact N-O 3.26Å; S458-R497 PolarHBondContact O-N 2.72Å; N484-R497 PolarHBondContact OD1-NH1 2.96Å; R485-R497 PolarHBondContact O-NH1 2.83Å; D486-R497 IonicContact OD2-CZ 3.98Å; D486-R497 IonicContact OD2-NH1 3.22Å; D486-R497 IonicContact OD2-NH2 3.88Å; D486-R497 PolarHBondContact OD2-NH2 3.08Å; E495-R497 HydrophobicContact CB-CG 4.47Å; E495-R497 PolarHBondContact O-N 3.17Å
498	T	94.3	Very high	91.5	Very high	32 Å²	32	35.9 Å²	35.9	20%	0.196	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	124	160.5	-61.3	0	0	0	0	108.4	A252 I255 H500	A252-T498 HydrophobicContact CB-CG2 4.02Å; A252-T498 WeakPolarHBondContact CB-O 3.42Å; I255-T498 HydrophobicContact CD1-CG2 3.74Å; T498-H500 PolarHBondContact O-N 3.43Å
499	L	95.6	Very high	91.8	Very high	10 Å²	10	35.9 Å²	35.9	5%	0.052	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-77.4	126.4	-177.8	-58.5	-179.7	0	0	0	110.6	I455 F456 V483 N484 Y501	I455-L499 HydrophobicContact CB-CD1 4.42Å; I455-L499 HydrophobicContact CG2-CD1 3.75Å; F456-L499 PolarHBondContact O-N 3.26Å; V483-L499 HydrophobicContact CG1-CD1 4Å; V483-L499 WeakPolarHBondContact O-CD2 3.25Å; N484-L499 HydrophobicContact CB-CD2 4.34Å; L499-Y501 WeakPolarHBondContact CB-O 3.05Å
500	H	93.7	Very high	91.9	Very high	78 Å²	78	35.8 Å²	35.8	36%	0.361	17%	0.17	S	C	.	.	S	Bend	trans	-63.4	-48.9	172.7	170.5	70.5	0	0	0	110.4	W114 A252 T498	W114-H500 AromaticContact CD1-CE1 3.55Å; W114-H500 AromaticContact CD1-ND1 3.82Å; W114-H500 AromaticContact CD2-CD2 3.7Å; W114-H500 AromaticContact CD2-CE1 3.68Å; W114-H500 AromaticContact CD2-CG 3.98Å; W114-H500 AromaticContact CD2-ND1 3.97Å; W114-H500 AromaticContact CD2-NE2 3.53Å; W114-H500 AromaticContact CE2-CD2 3.76Å; W114-H500 AromaticContact CE2-CE1 3.78Å; W114-H500 AromaticContact CE2-CG 3.56Å; W114-H500 AromaticContact CE2-ND1 3.57Å; W114-H500 AromaticContact CE2-NE2 3.93Å; W114-H500 AromaticContact CE3-CD2 3.78Å; W114-H500 AromaticContact CE3-NE2 3.84Å; W114-H500 AromaticContact CG-CE1 3.54Å; W114-H500 AromaticContact CG-NE2 3.71Å; W114-H500 HydrophobicContact CH2-CB 4.15Å; W114-H500 AromaticContact CH2-CD2 3.98Å; W114-H500 HydrophobicContact CZ2-CB 3.76Å; W114-H500 AromaticContact CZ2-CD2 3.92Å; W114-H500 AromaticContact CZ2-CG 3.61Å; W114-H500 AromaticContact CZ3-CD2 3.92Å; W114-H500 AromaticContact NE1-CE1 3.68Å; W114-H500 AromaticContact NE1-CG 3.94Å; W114-H500 AromaticContact NE1-ND1 3.47Å; W114-H500 PolarHBondContact NE1-ND1 3.01Å; A252-H500 HydrophobicContact CB-CB 4.1Å; T498-H500 PolarHBondContact O-N 3.43Å
501	Y	93.7	Very high	92.3	Very high	107 Å²	107	35.3 Å²	35.3	42%	0.42	17%	0.166	S	C	.	.	S	Bend	trans	-95.4	122.3	169.8	177.4	-97.9	0	0	0	110	R481 L499 P503	R481-Y501 HydrophobicContact CB-CD1 4.35Å; R481-Y501 HydrophobicContact CB-CE1 3.95Å; R481-Y501 HydrophobicContact CG-CD1 4.04Å; R481-Y501 HydrophobicContact CG-CE1 4.16Å; R481-Y501 VanDerWaalsContact CZ-CB 3.41Å; L499-Y501 WeakPolarHBondContact CB-O 3.05Å; Y501-P503 HydrophobicContact CD1-CB 4.37Å; Y501-P503 HydrophobicContact CE1-CB 3.86Å; Y501-P503 WeakPolarHBondContact O-CD 3.39Å
502	K	96.5	Very high	92.9	Very high	71 Å²	71	34.8 Å²	34.8	31%	0.309	16%	0.163	S	C	.	.			trans	-99.3	96.3	-178.3	-59.4	177.8	-179.1	167.8	0	110	E363 I454 I455 F456	E363-K502 IonicContact OE1-NZ 3.19Å; E363-K502 PolarHBondContact OE1-NZ 3.48Å; I454-K502 HydrophobicContact CG2-CB 3.66Å; I454-K502 HydrophobicContact CG2-CD 4.44Å; I455-K502 CarbonylContact O-C 3.54Å; I455-K502 WeakPolarHBondContact O-CA 3.48Å; I455-K502 VanDerWaalsContact O-CB 3.24Å; I455-K502 WeakPolarHBondContact O-CB 3.29Å; F456-K502 HydrophobicContact CB-CD 3.98Å; F456-K502 HydrophobicContact CB-CG 4.19Å
503	P	96.9	Very high	93.6	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.			trans	-67	141.9	-176.5	26.3	-33.3	0	0	0	111.5	I454 I455 V483 Y501	I454-P503 WeakPolarHBondContact CA-O 3.49Å; I455-P503 HydrophobicContact CB-CG 4.07Å; I455-P503 HydrophobicContact CD1-CG 4.36Å; I455-P503 PolarHBondContact N-O 2.97Å; I455-P503 WeakPolarHBondContact O-CD 3.44Å; V483-P503 HydrophobicContact CB-CG 4.48Å; V483-P503 HydrophobicContact CG1-CG 4.34Å; V483-P503 HydrophobicContact CG2-CG 4.13Å; Y501-P503 HydrophobicContact CD1-CB 4.37Å; Y501-P503 HydrophobicContact CE1-CB 3.86Å; Y501-P503 WeakPolarHBondContact O-CD 3.39Å
504	R	98.2	Very high	94.1	Very high	142 Å²	142	29 Å²	29	54%	0.536	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.5	170.3	-179.8	177.9	-73.4	175.7	-3.5	110.4	I453 I454 H473 R475 L506	I453-R504 CarbonylContact O-C 3.58Å; I453-R504 VanDerWaalsContact O-CA 3.25Å; I453-R504 WeakPolarHBondContact O-CA 3.17Å; I454-R504 HydrophobicContact CG1-CB 4.4Å; I454-R504 HydrophobicContact CG1-CG 4.48Å; H473-R504 PolarHBondContact CE1-O 3.11Å; R475-R504 PolarHBondContact NH2-O 3.15Å; R504-L506 HydrophobicContact CG-CD2 4.11Å
505	V	98.5	Very high	94.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.4	176.8	-173.2	0	0	0	0	109	L448 G452 I453 I455 D509 L511	L448-V505 HydrophobicContact CD1-CB 4.38Å; L448-V505 HydrophobicContact CD1-CG1 3.82Å; G452-V505 CarbonylContact C-O 3.57Å; G452-V505 WeakPolarHBondContact CA-O 3.35Å; I453-V505 HydrophobicContact CD1-CB 4.44Å; I453-V505 HydrophobicContact CG1-CB 3.89Å; I453-V505 PolarHBondContact N-O 2.82Å; I453-V505 PolarHBondContact O-N 2.83Å; I455-V505 HydrophobicContact CD1-CG2 3.65Å; I455-V505 HydrophobicContact CG1-CG2 4.19Å; V505-D509 HydrophobicContact CG1-CB 3.83Å; V505-L511 HydrophobicContact CG1-CD1 4.39Å; V505-L511 HydrophobicContact CG1-CG 4.5Å; V505-L511 HydrophobicContact CG2-CD1 4.33Å; V505-L511 HydrophobicContact CG2-CD2 4.1Å
506	L	98.4	Very high	95.4	Very high	49 Å²	49	27.8 Å²	27.8	26%	0.257	13%	0.131	S	C	.	.	P	Polyproline II helix	trans	-96.4	159.8	179	-65.4	-177.7	0	0	0	111.1	R475 R504 G508 D509	R475-L506 VanDerWaalsContact CZ-CD1 3.46Å; R475-L506 VanDerWaalsContact NH2-CG 3.32Å; R504-L506 HydrophobicContact CG-CD2 4.11Å; L506-G508 PolarHBondContact O-N 3.33Å; L506-D509 PolarHBondContact N-OD2 3.04Å; L506-D509 VanDerWaalsContact O-CB 3.3Å; L506-D509 WeakPolarHBondContact O-CB 3.49Å; L506-D509 PolarHBondContact O-N 2.97Å
507	P	97.3	Very high	95.6	Very high	42 Å²	42	27.3 Å²	27.3	27%	0.273	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	127.6	169.1	-22.6	32.7	0	0	0	111.3	L448 P449	L448-P507 HydrophobicContact CB-CG 4.02Å; P449-P507 VanDerWaalsContact O-CD 3.31Å; P449-P507 WeakPolarHBondContact O-CD 3.46Å; P449-P507 WeakPolarHBondContact O-CG 3.45Å
508	G	94.9	Very high	95.7	Very high	15 Å²	15	29.9 Å²	29.9	16%	0.155	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	-1.6	-176.6	0	0	0	0	0	115	A441 T444 L506	A441-G508 WeakPolarHBondContact CB-O 3.34Å; A441-G508 WeakPolarHBondContact O-CA 3.29Å; T444-G508 PolarHBondContact OG1-N 2.86Å; T444-G508 VanDerWaalsContact OG1-N 3.08Å; L506-G508 PolarHBondContact O-N 3.33Å
509	D	97	Very high	95.7	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	153.9	167.3	-69.5	-5.1	0	0	0	110.6	A441 T444 H473 F474 R475 V505 L506	A441-D509 WeakPolarHBondContact CA-O 3.36Å; T444-D509 WeakPolarHBondContact CB-O 3.32Å; T444-D509 WeakPolarHBondContact CG2-O 3.44Å; T444-D509 PolarHBondContact OG1-N 3.43Å; T444-D509 PolarHBondContact OG1-O 3.23Å; H473-D509 IonicContact CD2-OD2 3.51Å; H473-D509 IonicContact CE1-OD2 3.88Å; H473-D509 IonicContact NE2-OD2 3.16Å; H473-D509 PolarHBondContact NE2-OD2 2.68Å; F474-D509 CarbonylContact O-C 3.42Å; F474-D509 WeakPolarHBondContact O-CA 3.38Å; F474-D509 VanDerWaalsContact O-CB 3.29Å; F474-D509 WeakPolarHBondContact O-CB 3.34Å; R475-D509 WeakPolarHBondContact CB-OD1 3.42Å; R475-D509 WeakPolarHBondContact CG-OD1 3.14Å; R475-D509 IonicContact CZ-OD1 3.06Å; R475-D509 IonicContact CZ-OD2 3.74Å; R475-D509 IonicContact NE-OD1 2.64Å; R475-D509 PolarHBondContact NE-OD1 3.29Å; R475-D509 IonicContact NE-OD2 2.9Å; R475-D509 IonicContact NH2-OD1 2.82Å; R475-D509 IonicContact NH2-OD2 3.24Å; R475-D509 PolarHBondContact NH2-OD2 2.95Å; V505-D509 HydrophobicContact CG1-CB 3.83Å; L506-D509 PolarHBondContact N-OD2 3.04Å; L506-D509 VanDerWaalsContact O-CB 3.3Å; L506-D509 WeakPolarHBondContact O-CB 3.49Å; L506-D509 PolarHBondContact O-N 2.97Å
510	A	96	Very high	95.6	Very high	3 Å²	3	34.4 Å²	34.4	3%	0.025	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.7	173.2	0	0	0	0	0	111	C439 F474 T633	C439-A510 VanDerWaalsContact O-CA 3.3Å; C439-A510 WeakPolarHBondContact O-CA 3.43Å; F474-A510 HydrophobicContact CB-CB 4.38Å; F474-A510 PolarHBondContact N-O 3.3Å; F474-A510 PolarHBondContact O-N 3.3Å; A510-T633 HydrophobicContact CB-CG2 3.92Å
511	L	97.2	Very high	95.6	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134	172	-55.8	171.2	0	0	0	108.7	L416 C439 I455 T471 R472 H473 V483 V505	L416-L511 HydrophobicContact CD1-CB 4.14Å; L416-L511 HydrophobicContact CD1-CD1 3.62Å; L416-L511 HydrophobicContact CD1-CG 4.49Å; L416-L511 HydrophobicContact CD2-CD1 4.04Å; C439-L511 HydrophobicContact CB-CB 4.05Å; C439-L511 PolarHBondContact N-O 3.49Å; C439-L511 PolarHBondContact O-N 2.83Å; I455-L511 HydrophobicContact CD1-CD1 4.38Å; T471-L511 HydrophobicContact CG2-CB 4.41Å; R472-L511 WeakPolarHBondContact O-CA 3.35Å; H473-L511 HydrophobicContact CB-CD2 3.85Å; V483-L511 HydrophobicContact CG2-CD2 4.06Å; V505-L511 HydrophobicContact CG1-CD1 4.39Å; V505-L511 HydrophobicContact CG1-CG 4.5Å; V505-L511 HydrophobicContact CG2-CD1 4.33Å; V505-L511 HydrophobicContact CG2-CD2 4.1Å
512	V	95	Very high	95.6	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.024	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	112.3	-178.3	-173.2	0	0	0	0	108.7	G437 Y438 T471 R472 F474	G437-V512 WeakPolarHBondContact O-CA 3.33Å; Y438-V512 HydrophobicContact CD1-CB 4.32Å; Y438-V512 HydrophobicContact CD1-CG1 3.93Å; Y438-V512 HydrophobicContact CD1-CG2 3.52Å; Y438-V512 HydrophobicContact CE1-CB 4.37Å; Y438-V512 HydrophobicContact CE1-CG1 3.69Å; Y438-V512 HydrophobicContact CE1-CG2 3.71Å; Y438-V512 HydrophobicContact CG-CG1 4.46Å; Y438-V512 HydrophobicContact CG-CG2 4.48Å; T471-V512 CarbonylContact C-O 3.44Å; T471-V512 VanDerWaalsContact CA-O 3.29Å; T471-V512 WeakPolarHBondContact CA-O 3.33Å; R472-V512 PolarHBondContact N-O 3.42Å; R472-V512 PolarHBondContact O-N 3.05Å; F474-V512 HydrophobicContact CD2-CG2 4.01Å; F474-V512 HydrophobicContact CE2-CB 4.21Å; F474-V512 HydrophobicContact CE2-CG2 3.76Å
513	T	96.1	Very high	95.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118	175.2	-58.8	0	0	0	0	109	S436 G437 V469 L470 T471 N539	S436-T513 CarbonylContact C-O 3.52Å; S436-T513 WeakPolarHBondContact CA-O 3.35Å; G437-T513 PolarHBondContact N-O 3.02Å; G437-T513 PolarHBondContact O-N 3.49Å; V469-T513 HydrophobicContact CG1-CG2 4.27Å; L470-T513 CarbonylContact O-C 3.57Å; L470-T513 VanDerWaalsContact O-CA 3.3Å; L470-T513 WeakPolarHBondContact O-CA 3.36Å; T471-T513 PolarHBondContact OG1-OG1 3.2Å; T513-N539 HydrophobicContact CG2-CB 4.08Å
514	T	94.1	Very high	95.4	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.025	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.2	177.7	-53.9	0	0	0	0	109.4	P434 L435 S436 V469 L470 Y516	P434-T514 HydrophobicContact CB-CG2 4.05Å; L435-T514 CarbonylContact O-C 3.53Å; L435-T514 WeakPolarHBondContact O-CA 3.49Å; S436-T514 WeakPolarHBondContact OG-CG2 3.47Å; S436-T514 PolarHBondContact OG-OG1 3.48Å; V469-T514 WeakPolarHBondContact CA-O 3.33Å; L470-T514 HydrophobicContact CD2-CG2 4.44Å; L470-T514 PolarHBondContact N-O 2.89Å; L470-T514 PolarHBondContact O-N 3.25Å; T514-Y516 HydrophobicContact CG2-CD2 4.16Å; T514-Y516 HydrophobicContact CG2-CE2 3.6Å
515	C	95	Very high	95.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.6	172.3	-56	0	0	0	0	109.5	P434 L435 T462 R468 V469 Y517 C537	P434-C515 CarbonylContact C-O 3.55Å; P434-C515 WeakPolarHBondContact CA-O 3.48Å; L435-C515 PolarHBondContact N-O 3.29Å; L435-C515 PolarHBondContact O-N 3.39Å; T462-C515 HydrophobicContact CG2-CB 3.98Å; R468-C515 WeakPolarHBondContact O-CA 3.39Å; V469-C515 HydrophobicContact CG2-CB 4.37Å; C515-Y517 HydrophobicContact CB-CE1 4.36Å; C515-Y517 HydrophobicContact CB-CE2 3.75Å; C515-Y517 WeakPolarHBondContact CB-OH 3.42Å; C515-C537 HydrophobicContact CB-CB 3.71Å; C515-C537 WeakPolarHBondContact CB-SG 3.45Å; C515-C537 PolarHBondContact N-SG 2.68Å; C515-C537 VanDerWaalsContact N-SG 3.41Å; C515-C537 WeakPolarHBondContact SG-CA 3.39Å; C515-C537 WeakPolarHBondContact SG-CB 3.38Å; C515-C537 CovalentContact SG-SG 2.03Å; C515-C537 PolarHBondContact SG-SG 2.76Å
516	Y	94	Very high	95.2	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.8	177.9	-71.7	-101.3	0	0	0	109.7	F433 P434 G466 V467 R468 L470 T514 D663 E667 I669	F433-Y516 WeakPolarHBondContact O-CA 3.37Å; P434-Y516 HydrophobicContact CB-CD1 3.95Å; P434-Y516 HydrophobicContact CB-CE1 3.67Å; P434-Y516 HydrophobicContact CB-CG 4.5Å; P434-Y516 HydrophobicContact CG-CE1 4.21Å; G466-Y516 WeakPolarHBondContact CA-O 3.42Å; V467-Y516 WeakPolarHBondContact CG2-O 2.89Å; V467-Y516 PolarHBondContact N-O 3.22Å; R468-Y516 HydrophobicContact CB-CD2 4.12Å; R468-Y516 HydrophobicContact CB-CG 4.3Å; R468-Y516 HydrophobicContact CG-CD2 3.72Å; R468-Y516 HydrophobicContact CG-CE2 4.32Å; R468-Y516 HydrophobicContact CG-CG 4.33Å; R468-Y516 PolarHBondContact O-N 2.71Å; L470-Y516 HydrophobicContact CD2-CD2 4.37Å; L470-Y516 HydrophobicContact CD2-CE2 3.8Å; T514-Y516 HydrophobicContact CG2-CD2 4.16Å; T514-Y516 HydrophobicContact CG2-CE2 3.6Å; Y516-D663 VanDerWaalsContact CE1-OD2 3.3Å; Y516-D663 WeakPolarHBondContact CE1-OD2 3.46Å; Y516-D663 PolarHBondContact OH-OD2 3.26Å; Y516-E667 WeakPolarHBondContact OH-CB 3.49Å; Y516-I669 HydrophobicContact CD1-CD1 3.83Å; Y516-I669 HydrophobicContact CD1-CG1 4.06Å; Y516-I669 HydrophobicContact CG-CD1 4.02Å; Y516-I669 HydrophobicContact CG-CG1 4.38Å
517	Y	93.7	Very high	95.1	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.6	-174.3	-57.7	-81.1	0	0	0	112.3	I426 F433 L435 T462 R465 C515 E535 M536 C537	I426-Y517 HydrophobicContact CD1-CD1 3.72Å; I426-Y517 HydrophobicContact CD1-CD2 3.41Å; I426-Y517 VanDerWaalsContact CD1-CD2 3.41Å; I426-Y517 HydrophobicContact CD1-CE1 4.18Å; I426-Y517 HydrophobicContact CD1-CE2 3.9Å; I426-Y517 HydrophobicContact CD1-CG 3.29Å; I426-Y517 HydrophobicContact CG1-CD2 3.83Å; I426-Y517 HydrophobicContact CG1-CE2 4.38Å; I426-Y517 HydrophobicContact CG1-CG 4.1Å; F433-Y517 PolarHBondContact N-O 2.95Å; F433-Y517 WeakPolarHBondContact O-CD2 3.35Å; F433-Y517 PolarHBondContact O-N 3.02Å; L435-Y517 HydrophobicContact CB-CE2 4.01Å; L435-Y517 HydrophobicContact CD1-CD2 4.33Å; L435-Y517 HydrophobicContact CD1-CE2 3.82Å; L435-Y517 HydrophobicContact CG-CD2 4.3Å; L435-Y517 HydrophobicContact CG-CE2 3.98Å; T462-Y517 HydrophobicContact CG2-CE1 4.27Å; R465-Y517 HydrophobicContact CB-CD1 3.96Å; R465-Y517 CarbonylContact O-C 3.35Å; R465-Y517 VanDerWaalsContact O-CA 3.25Å; R465-Y517 WeakPolarHBondContact O-CA 3.46Å; C515-Y517 HydrophobicContact CB-CE1 4.36Å; C515-Y517 HydrophobicContact CB-CE2 3.75Å; C515-Y517 WeakPolarHBondContact CB-OH 3.42Å; Y517-E535 HydrophobicContact CD1-CB 4.38Å; Y517-E535 HydrophobicContact CD1-CG 3.78Å; Y517-E535 HydrophobicContact CE1-CB 3.85Å; Y517-E535 HydrophobicContact CE1-CG 3.71Å; Y517-E535 WeakPolarHBondContact CE1-OE2 3.28Å; Y517-M536 VanDerWaalsContact OH-C 3.24Å; Y517-M536 PolarHBondContact OH-O 2.62Å; Y517-C537 VanDerWaalsContact OH-CB 3.27Å; Y517-C537 WeakPolarHBondContact OH-CB 3.3Å
518	N	92.7	Very high	94.8	Very high	61 Å²	61	34.5 Å²	34.5	33%	0.326	18%	0.18	S	C	.	.			trans	-101.3	110.7	169.3	-178.8	-0.4	0	0	0	109.7	Q430 R465 V467 K520	Q430-N518 CarbonylContact O-C 3.42Å; Q430-N518 WeakPolarHBondContact O-CA 3.48Å; Q430-N518 PolarHBondContact O-OD1 2.04Å; R465-N518 WeakPolarHBondContact CB-O 3.39Å; R465-N518 WeakPolarHBondContact CG-O 3.19Å; R465-N518 PolarHBondContact O-N 2.68Å; V467-N518 HydrophobicContact CG1-CB 3.8Å; V467-N518 HydrophobicContact CG2-CB 4.36Å; N518-K520 VanDerWaalsContact OD1-CB 3.23Å; N518-K520 WeakPolarHBondContact OD1-CB 3.36Å; N518-K520 PolarHBondContact OD1-N 3.49Å
519	T	94.8	Very high	94.4	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	18%	0.177	C	C	.	.			trans	-116.7	21.9	177.2	60.4	0	0	0	0	111.8	I426 P427 G429 Q430 R465 D521 D522 A526	I426-T519 HydrophobicContact CB-CG2 4.18Å; I426-T519 HydrophobicContact CG2-CG2 3.48Å; I426-T519 VanDerWaalsContact CG2-CG2 3.48Å; P427-T519 WeakPolarHBondContact O-CB 3.02Å; P427-T519 PolarHBondContact O-OG1 2.76Å; G429-T519 WeakPolarHBondContact CA-O 3.46Å; G429-T519 PolarHBondContact N-O 3.01Å; Q430-T519 VanDerWaalsContact CB-OG1 3.31Å; Q430-T519 WeakPolarHBondContact CB-OG1 3.4Å; Q430-T519 PolarHBondContact N-OG1 3Å; Q430-T519 CarbonylContact O-C 3.5Å; Q430-T519 PolarHBondContact O-N 3.31Å; R465-T519 HydrophobicContact CG-CG2 4.24Å; T519-D521 PolarHBondContact O-N 3.35Å; T519-D521 VanDerWaalsContact O-N 3.12Å; T519-D522 VanDerWaalsContact CB-OD2 3.26Å; T519-D522 WeakPolarHBondContact CB-OD2 3.37Å; T519-D522 VanDerWaalsContact CG2-OD2 3.24Å; T519-D522 WeakPolarHBondContact CG2-OD2 2.96Å; T519-D522 WeakPolarHBondContact O-CB 3.03Å; T519-D522 PolarHBondContact O-N 2.58Å; T519-A526 HydrophobicContact CG2-CB 4.32Å
520	K	93.2	Very high	93.4	Very high	135 Å²	135	39.5 Å²	39.5	59%	0.587	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-37.5	-176.8	-173.9	178.4	179.3	-178.2	0	113.3	Q430 N518	Q430-K520 PolarHBondContact O-N 3.43Å; Q430-K520 VanDerWaalsContact O-N 3.16Å; N518-K520 VanDerWaalsContact OD1-CB 3.23Å; N518-K520 WeakPolarHBondContact OD1-CB 3.36Å; N518-K520 PolarHBondContact OD1-N 3.49Å
521	D	93.5	Very high	92.3	Very high	147 Å²	147	41 Å²	41	79%	0.786	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-4	-177.9	-58.6	-43.3	0	0	0	113.4	T519	T519-D521 PolarHBondContact O-N 3.35Å; T519-D521 VanDerWaalsContact O-N 3.12Å
522	D	94.8	Very high	91.1	Very high	39 Å²	39	41.1 Å²	41.1	21%	0.209	21%	0.211	C	C	.	.			trans	-75	141.1	177.2	-73.1	-25.4	0	0	0	111.3	P428 R465 T519	P428-D522 HydrophobicContact CB-CB 4.19Å; P428-D522 VanDerWaalsContact CB-O 3.24Å; P428-D522 WeakPolarHBondContact CB-O 3.25Å; R465-D522 IonicContact CZ-OD1 3.99Å; R465-D522 IonicContact CZ-OD2 3.56Å; R465-D522 IonicContact NE-OD1 2.86Å; R465-D522 IonicContact NE-OD2 2.89Å; R465-D522 PolarHBondContact NE-OD2 3.02Å; R465-D522 IonicContact NH2-OD1 3.14Å; R465-D522 PolarHBondContact NH2-OD1 3.36Å; R465-D522 IonicContact NH2-OD2 3.04Å; R465-D522 PolarHBondContact NH2-OD2 2.67Å; T519-D522 VanDerWaalsContact CB-OD2 3.26Å; T519-D522 WeakPolarHBondContact CB-OD2 3.37Å; T519-D522 VanDerWaalsContact CG2-OD2 3.24Å; T519-D522 WeakPolarHBondContact CG2-OD2 2.96Å; T519-D522 WeakPolarHBondContact O-CB 3.03Å; T519-D522 PolarHBondContact O-N 2.58Å
523	K	94.6	Very high	90.3	Very high	202 Å²	202	43.9 Å²	43.9	88%	0.878	23%	0.23	S	C	*	.	S	Bend	trans	-93.1	-19.3	176.4	-62.7	-179.4	-177.6	175.7	0	113.4
524	T	95.2	Very high	89.8	Confident	73 Å²	73	45.7 Å²	45.7	45%	0.448	24%	0.24	S	C	.	.	S	Bend	trans	-139.4	165	-176.2	57.6	0	0	0	0	109.5	A526	T524-A526 PolarHBondContact O-N 2.94Å
525	A	96.7	Very high	89.7	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.008	24%	0.24	C	C	.	.			trans	-60.4	130.2	178.5	0	0	0	0	0	111.6	I426 W592	I426-A525 CarbonylContact O-C 3.52Å; I426-A525 VanDerWaalsContact O-CA 3.23Å; I426-A525 WeakPolarHBondContact O-CA 3.37Å; A525-W592 HydrophobicContact CB-CZ2 4.4Å
526	A	95.6	Very high	89.6	Confident	7 Å²	7	46.3 Å²	46.3	6%	0.058	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	139.3	169.3	0	0	0	0	0	109.1	A425 I426 T519 T524	A425-A526 CarbonylContact C-O 3.57Å; A425-A526 WeakPolarHBondContact CA-O 3.44Å; A425-A526 WeakPolarHBondContact CB-O 3.46Å; I426-A526 HydrophobicContact CB-CB 4.31Å; I426-A526 HydrophobicContact CD1-CB 4.36Å; I426-A526 PolarHBondContact N-O 2.95Å; I426-A526 PolarHBondContact O-N 3.12Å; T519-A526 HydrophobicContact CG2-CB 4.32Å; T524-A526 PolarHBondContact O-N 2.94Å
527	L	95.3	Very high	89.7	Confident	9 Å²	9	46.3 Å²	46.3	5%	0.047	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	151.4	-172.3	-57.4	174.9	0	0	0	109.9	A425 D534 E535 Y587	A425-L527 HydrophobicContact CB-CD2 3.81Å; L527-D534 CarbonylContact O-C 3.59Å; L527-D534 WeakPolarHBondContact O-CA 3.26Å; L527-D534 WeakPolarHBondContact O-CB 3.39Å; L527-E535 PolarHBondContact O-N 3.24Å; L527-Y587 HydrophobicContact CD2-CD2 4.16Å
528	G	92.3	Very high	89.8	Confident	15 Å²	15	46.2 Å²	46.2	16%	0.155	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-68.3	139.5	163.8	0	0	0	0	0	111.2	T421 D422 M424 E535	T421-G528 CarbonylContact C-O 3.53Å; T421-G528 VanDerWaalsContact C-O 3.32Å; T421-G528 CarbonylContact O-C 3.51Å; T421-G528 WeakPolarHBondContact O-CA 3.34Å; D422-G528 PolarHBondContact N-O 3.19Å; M424-G528 PolarHBondContact O-N 2.83Å; G528-E535 VanDerWaalsContact CA-O 3.29Å; G528-E535 WeakPolarHBondContact CA-O 3.24Å
529	G	84.9	Confident	89.9	Confident	8 Å²	8	43.3 Å²	43.3	8%	0.082	23%	0.227	C	C	.	.	S	Bend	trans	176.3	-173.9	-176.5	0	0	0	0	0	114.1	E535 M536	G529-E535 PolarHBondContact N-O 3.32Å; G529-M536 WeakPolarHBondContact O-CE 3.27Å; G529-M536 WeakPolarHBondContact O-CG 3.42Å
530	F	76.9	Confident	89.9	Confident	115 Å²	115	43.6 Å²	43.6	50%	0.504	23%	0.228	S	C	.	.	S	Bend	trans	-91.3	-26.1	-178.7	-66.7	-83.4	0	0	0	113.6	Y281 Y420 H463 M536	Y281-F530 PolarHBondContact OH-O 2.9Å; Y420-F530 VanDerWaalsContact CB-CZ 3.45Å; Y420-F530 HydrophobicContact CD2-CD1 4.49Å; Y420-F530 AromaticContact CD2-CE1 3.52Å; Y420-F530 HydrophobicContact CD2-CE1 3.52Å; Y420-F530 AromaticContact CD2-CZ 3.81Å; Y420-F530 HydrophobicContact CD2-CZ 3.81Å; Y420-F530 HydrophobicContact CE2-CE1 4.3Å; Y420-F530 HydrophobicContact CG-CD1 4.46Å; Y420-F530 AromaticContact CG-CE1 3.79Å; Y420-F530 HydrophobicContact CG-CE1 3.79Å; Y420-F530 AromaticContact CG-CZ 3.98Å; Y420-F530 HydrophobicContact CG-CZ 3.98Å; H463-F530 PolarHBondContact CE1-O 3.4Å; F530-M536 HydrophobicContact CB-CE 4.33Å; F530-M536 HydrophobicContact CD1-CE 3.81Å; F530-M536 HydrophobicContact CG-CE 4.37Å
531	S	72	Confident	90.1	Very high	35 Å²	35	37.1 Å²	37.1	25%	0.245	20%	0.2	C	C	.	.	S	Bend	trans	-69.9	146.4	-179.5	178.1	0	0	0	0	111.2	H463 S533 D534	H463-S531 PolarHBondContact CE1-O 2.85Å; H463-S531 PolarHBondContact ND1-O 3.27Å; S531-S533 WeakPolarHBondContact CB-OG 3.26Å; S531-S533 PolarHBondContact O-N 3.18Å; S531-S533 VanDerWaalsContact O-N 3.08Å; S531-S533 PolarHBondContact OG-N 3.01Å; S531-S533 PolarHBondContact OG-OG 3.44Å; S531-D534 WeakPolarHBondContact CB-OD2 3.12Å; S531-D534 CarbonylContact O-C 3.56Å; S531-D534 WeakPolarHBondContact O-CA 3.28Å; S531-D534 WeakPolarHBondContact O-CB 3.47Å; S531-D534 PolarHBondContact O-N 2.87Å
532	I	72.5	Confident	90.2	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.2	171.1	-161.9	168.9	0	0	0	112.8	T279 H463 L464 D534	T279-I532 WeakPolarHBondContact OG1-CG2 3.32Å; H463-I532 HydrophobicContact CB-CG1 4.46Å; H463-I532 WeakPolarHBondContact CB-O 3.16Å; L464-I532 HydrophobicContact CD1-CG1 4.23Å; L464-I532 WeakPolarHBondContact CD1-O 3.45Å; L464-I532 HydrophobicContact CD2-CD1 3.92Å; L464-I532 HydrophobicContact CD2-CG1 3.86Å; L464-I532 HydrophobicContact CG-CD1 4.41Å; L464-I532 HydrophobicContact CG-CG1 3.81Å; L464-I532 WeakPolarHBondContact CG-O 3.14Å; I532-D534 CarbonylContact C-O 3.53Å
533	S	77.8	Confident	90.4	Very high	63 Å²	63	28.3 Å²	28.3	44%	0.441	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-25.7	173.4	66.1	0	0	0	0	113.7	R465 S531	R465-S533 PolarHBondContact NH1-O 2.71Å; S531-S533 WeakPolarHBondContact CB-OG 3.26Å; S531-S533 PolarHBondContact O-N 3.18Å; S531-S533 VanDerWaalsContact O-N 3.08Å; S531-S533 PolarHBondContact OG-N 3.01Å; S531-S533 PolarHBondContact OG-OG 3.44Å
534	D	85.9	Confident	90.6	Very high	37 Å²	37	19.5 Å²	19.5	20%	0.198	11%	0.114	C	C	.	.	S	Bend	trans	-84.5	-179.1	167.9	-59.8	-36.3	0	0	0	108.9	H463 L527 S531 I532	H463-D534 VanDerWaalsContact CB-O 3.25Å; H463-D534 WeakPolarHBondContact CB-O 3.38Å; H463-D534 PolarHBondContact ND1-O 3.23Å; L527-D534 CarbonylContact O-C 3.59Å; L527-D534 WeakPolarHBondContact O-CA 3.26Å; L527-D534 WeakPolarHBondContact O-CB 3.39Å; S531-D534 WeakPolarHBondContact CB-OD2 3.12Å; S531-D534 CarbonylContact O-C 3.56Å; S531-D534 WeakPolarHBondContact O-CA 3.28Å; S531-D534 WeakPolarHBondContact O-CB 3.47Å; S531-D534 PolarHBondContact O-N 2.87Å; I532-D534 CarbonylContact C-O 3.53Å
535	E	92.4	Very high	90.7	Very high	5 Å²	5	17.9 Å²	17.9	2%	0.023	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-118.2	153.7	178.1	-77.6	-57.9	153.4	0	0	114.3	I426 H463 L464 R465 Y517 L527 G528 G529	I426-E535 HydrophobicContact CD1-CB 3.99Å; I426-E535 HydrophobicContact CD1-CG 3.73Å; H463-E535 WeakPolarHBondContact CA-OE2 3.17Å; H463-E535 WeakPolarHBondContact CB-OE2 3.17Å; H463-E535 PolarHBondContact N-OE2 3.44Å; L464-E535 PolarHBondContact N-OE1 2.75Å; L464-E535 VanDerWaalsContact N-OE1 3.17Å; R465-E535 WeakPolarHBondContact CA-OE1 3.3Å; R465-E535 HydrophobicContact CB-CG 4.24Å; R465-E535 WeakPolarHBondContact CB-OE1 3.09Å; R465-E535 WeakPolarHBondContact CD-OE1 3.38Å; R465-E535 WeakPolarHBondContact CG-OE1 3.42Å; R465-E535 PolarHBondContact N-OE1 3.49Å; R465-E535 IonicContact NH1-OE1 2.67Å; Y517-E535 HydrophobicContact CD1-CB 4.38Å; Y517-E535 HydrophobicContact CD1-CG 3.78Å; Y517-E535 HydrophobicContact CE1-CB 3.85Å; Y517-E535 HydrophobicContact CE1-CG 3.71Å; Y517-E535 WeakPolarHBondContact CE1-OE2 3.28Å; L527-E535 PolarHBondContact O-N 3.24Å; G528-E535 VanDerWaalsContact CA-O 3.29Å; G528-E535 WeakPolarHBondContact CA-O 3.24Å; G529-E535 PolarHBondContact N-O 3.32Å
536	M	93	Very high	90.7	Very high	13 Å²	13	19.8 Å²	19.8	6%	0.064	12%	0.12	C	C	.	.			trans	-127.4	155.5	169.1	-70.9	-166.5	-171.6	0	0	110.3	Y420 T462 Y517 G529 F530 V538	Y420-M536 HydrophobicContact CD1-CE 4.13Å; Y420-M536 HydrophobicContact CD1-CG 4.1Å; Y420-M536 HydrophobicContact CD1-SD 3.88Å; Y420-M536 HydrophobicContact CE1-CE 4.17Å; Y420-M536 HydrophobicContact CE1-CG 4.15Å; Y420-M536 HydrophobicContact CE1-SD 3.51Å; Y420-M536 VanDerWaalsContact CE1-SD 3.51Å; T462-M536 WeakPolarHBondContact CA-O 3.26Å; T462-M536 WeakPolarHBondContact CB-O 3.02Å; Y517-M536 VanDerWaalsContact OH-C 3.24Å; Y517-M536 PolarHBondContact OH-O 2.62Å; G529-M536 WeakPolarHBondContact O-CE 3.27Å; G529-M536 WeakPolarHBondContact O-CG 3.42Å; F530-M536 HydrophobicContact CB-CE 4.33Å; F530-M536 HydrophobicContact CD1-CE 3.81Å; F530-M536 HydrophobicContact CG-CE 4.37Å; M536-V538 HydrophobicContact CB-CG2 4.47Å
537	C	95.8	Very high	90.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.125	C	C	.	.			trans	-135.7	98.9	167.4	-174.9	0	0	0	0	109.1	G417 L418 C515 Y517	G417-C537 CarbonylContact C-O 3.57Å; G417-C537 WeakPolarHBondContact CA-O 3.47Å; L418-C537 HydrophobicContact CB-CB 4.05Å; L418-C537 HydrophobicContact CD1-CB 3.51Å; L418-C537 HydrophobicContact CG-CB 3.75Å; L418-C537 PolarHBondContact N-O 2.61Å; C515-C537 HydrophobicContact CB-CB 3.71Å; C515-C537 WeakPolarHBondContact CB-SG 3.45Å; C515-C537 PolarHBondContact N-SG 2.68Å; C515-C537 VanDerWaalsContact N-SG 3.41Å; C515-C537 WeakPolarHBondContact SG-CA 3.39Å; C515-C537 WeakPolarHBondContact SG-CB 3.38Å; C515-C537 CovalentContact SG-SG 2.03Å; C515-C537 PolarHBondContact SG-SG 2.76Å; Y517-C537 VanDerWaalsContact OH-CB 3.27Å; Y517-C537 WeakPolarHBondContact OH-CB 3.3Å
538	V	94.9	Very high	90.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145	-175.5	-171.5	0	0	0	0	111.4	E415 L416 Y420 H461 M536 Y540	E415-V538 HydrophobicContact CB-CG1 4.46Å; L416-V538 CarbonylContact O-C 3.59Å; L416-V538 VanDerWaalsContact O-CA 3.29Å; L416-V538 WeakPolarHBondContact O-CA 3.48Å; Y420-V538 HydrophobicContact CE1-CG2 3.5Å; Y420-V538 VanDerWaalsContact CE1-CG2 3.5Å; H461-V538 HydrophobicContact CB-CB 4.28Å; H461-V538 PolarHBondContact N-O 2.89Å; H461-V538 PolarHBondContact O-N 2.82Å; M536-V538 HydrophobicContact CB-CG2 4.47Å; V538-Y540 HydrophobicContact CB-CE2 4.05Å; V538-Y540 HydrophobicContact CG1-CD1 4.26Å; V538-Y540 HydrophobicContact CG1-CD2 3.81Å; V538-Y540 HydrophobicContact CG1-CE1 4.08Å; V538-Y540 HydrophobicContact CG1-CE2 3.56Å; V538-Y540 HydrophobicContact CG1-CG 4.15Å
539	N	96.3	Very high	90.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	112.5	159.6	-177.4	-0.7	0	0	0	108.8	L416 S458 Q459 L460 T471 T513 I541	L416-N539 HydrophobicContact CB-CB 4.37Å; L416-N539 PolarHBondContact N-O 2.9Å; L416-N539 PolarHBondContact O-N 2.76Å; S458-N539 VanDerWaalsContact OG-CG 3.27Å; S458-N539 PolarHBondContact OG-ND2 2.78Å; S458-N539 VanDerWaalsContact OG-ND2 3.14Å; S458-N539 PolarHBondContact OG-OD1 3.19Å; Q459-N539 WeakPolarHBondContact O-CA 3.4Å; L460-N539 HydrophobicContact CD2-CB 3.85Å; T471-N539 WeakPolarHBondContact CB-ND2 3.5Å; T471-N539 PolarHBondContact OG1-ND2 3.09Å; T513-N539 HydrophobicContact CG2-CB 4.08Å; N539-I541 PolarHBondContact O-N 2.94Å
540	Y	94.5	Very high	91	Very high	7 Å²	7	26.3 Å²	26.3	3%	0.027	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	108.2	171.2	-57.6	-91.6	0	0	0	108.6	E315 L350 E415 Y420 S458 Q459 H461 V538	E315-Y540 PolarHBondContact OE1-OH 3.4Å; L350-Y540 HydrophobicContact CD2-CD1 3.31Å; L350-Y540 HydrophobicContact CD2-CD2 4.1Å; L350-Y540 HydrophobicContact CD2-CE1 3.4Å; L350-Y540 VanDerWaalsContact CD2-CE1 3.4Å; L350-Y540 HydrophobicContact CD2-CE2 4.21Å; L350-Y540 HydrophobicContact CD2-CG 3.66Å; E415-Y540 HydrophobicContact CG-CD1 3.78Å; E415-Y540 HydrophobicContact CG-CE1 3.73Å; Y420-Y540 PolarHBondContact OH-OH 3.49Å; S458-Y540 CarbonylContact C-O 3.57Å; S458-Y540 WeakPolarHBondContact CA-O 3.5Å; Q459-Y540 HydrophobicContact CB-CD2 4.48Å; Q459-Y540 PolarHBondContact N-O 2.99Å; Q459-Y540 PolarHBondContact O-N 3.23Å; H461-Y540 HydrophobicContact CB-CE2 4.03Å; V538-Y540 HydrophobicContact CB-CE2 4.05Å; V538-Y540 HydrophobicContact CG1-CD1 4.26Å; V538-Y540 HydrophobicContact CG1-CD2 3.81Å; V538-Y540 HydrophobicContact CG1-CE1 4.08Å; V538-Y540 HydrophobicContact CG1-CE2 3.56Å; V538-Y540 HydrophobicContact CG1-CG 4.15Å
541	I	96.8	Very high	91.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.3	179.4	56.8	155.8	0	0	0	110.9	V413 M414 L416 I455 G457 V483 N539 Y543	V413-I541 WeakPolarHBondContact CA-O 3.28Å; M414-I541 HydrophobicContact CB-CD1 4.16Å; M414-I541 HydrophobicContact CB-CG1 3.89Å; M414-I541 HydrophobicContact CG-CG1 4.5Å; M414-I541 PolarHBondContact N-O 2.89Å; M414-I541 VanDerWaalsContact O-CG1 3.25Å; M414-I541 WeakPolarHBondContact O-CG1 3.05Å; M414-I541 PolarHBondContact O-N 3.28Å; M414-I541 HydrophobicContact SD-CD1 4.16Å; L416-I541 HydrophobicContact CD1-CD1 3.9Å; L416-I541 HydrophobicContact CD1-CG1 4.02Å; L416-I541 HydrophobicContact CD1-CG2 3.77Å; L416-I541 HydrophobicContact CD2-CD1 4.46Å; L416-I541 HydrophobicContact CG-CD1 4.25Å; L416-I541 HydrophobicContact CG-CG1 4.13Å; L416-I541 HydrophobicContact CG-CG2 4.5Å; I455-I541 HydrophobicContact CD1-CB 4.49Å; I455-I541 HydrophobicContact CD1-CD1 3.66Å; I455-I541 HydrophobicContact CD1-CG2 4.39Å; I455-I541 HydrophobicContact CG1-CD1 3.95Å; I455-I541 HydrophobicContact CG2-CB 3.83Å; I455-I541 HydrophobicContact CG2-CG2 4.03Å; G457-I541 WeakPolarHBondContact O-CA 3.37Å; V483-I541 HydrophobicContact CG1-CG2 4.28Å; N539-I541 PolarHBondContact O-N 2.94Å; I541-Y543 HydrophobicContact CD1-CD1 4.34Å
542	H	96.8	Very high	93	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.2	169.8	-68.6	-104.8	0	0	0	109.2	F358 Y360 I455 F456 G457 M496	F358-H542 HydrophobicContact CE1-CB 4.49Å; F358-H542 AromaticContact CE1-CG 3.96Å; F358-H542 AromaticContact CE1-ND1 3.8Å; F358-H542 HydrophobicContact CZ-CB 4.28Å; Y360-H542 AromaticContact CZ-ND1 3.94Å; Y360-H542 PolarHBondContact OH-ND1 3.34Å; I455-H542 WeakPolarHBondContact CA-O 3.43Å; F456-H542 VanDerWaalsContact CD1-O 3.32Å; F456-H542 WeakPolarHBondContact CD1-O 3.46Å; F456-H542 HydrophobicContact CD2-CB 4.22Å; F456-H542 HydrophobicContact CE1-CB 4.02Å; F456-H542 HydrophobicContact CE2-CB 3.65Å; F456-H542 HydrophobicContact CZ-CB 3.55Å; F456-H542 PolarHBondContact N-O 3.29Å; G457-H542 PolarHBondContact N-O 3.23Å; G457-H542 PolarHBondContact O-N 3.22Å; M496-H542 VanDerWaalsContact CE-NE2 3.26Å; M496-H542 WeakPolarHBondContact CE-NE2 2.97Å; M496-H542 VanDerWaalsContact SD-CD2 3.52Å; M496-H542 PolarHBondContact SD-NE2 3.4Å
543	Y	98	Very high	94.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	164.4	-173.4	71.3	-88.5	0	0	0	113.6	A411 A412 M414 I453 I454 I541 P545 T547 L549	A411-Y543 CarbonylContact C-O 3.49Å; A411-Y543 WeakPolarHBondContact CA-O 3.35Å; A412-Y543 HydrophobicContact CB-CE1 3.88Å; A412-Y543 HydrophobicContact CB-CE2 4.14Å; A412-Y543 PolarHBondContact N-O 2.9Å; A412-Y543 WeakPolarHBondContact O-CD1 3.01Å; A412-Y543 PolarHBondContact O-N 2.91Å; M414-Y543 HydrophobicContact CB-CD1 4.16Å; M414-Y543 HydrophobicContact CB-CE1 3.56Å; M414-Y543 HydrophobicContact CE-CD1 4.44Å; M414-Y543 HydrophobicContact CE-CE1 3.75Å; I453-Y543 HydrophobicContact CB-CD2 3.64Å; I453-Y543 HydrophobicContact CB-CE2 4.33Å; I453-Y543 HydrophobicContact CB-CG 4.3Å; I453-Y543 HydrophobicContact CD1-CD1 4.28Å; I453-Y543 HydrophobicContact CD1-CD2 3.67Å; I453-Y543 HydrophobicContact CD1-CE2 4.14Å; I453-Y543 HydrophobicContact CD1-CG 3.72Å; I453-Y543 HydrophobicContact CG1-CD2 4.23Å; I453-Y543 HydrophobicContact CG2-CD2 3.57Å; I453-Y543 HydrophobicContact CG2-CE2 3.76Å; I454-Y543 CarbonylContact O-C 3.44Å; I454-Y543 WeakPolarHBondContact O-CA 3.2Å; I454-Y543 WeakPolarHBondContact O-CB 3.35Å; I541-Y543 HydrophobicContact CD1-CD1 4.34Å; Y543-P545 WeakPolarHBondContact CE2-O 3.49Å; Y543-T547 HydrophobicContact CE2-CG2 4Å; Y543-T547 PolarHBondContact OH-N 3.07Å; Y543-T547 PolarHBondContact OH-OG1 2.02Å; Y543-L549 PolarHBondContact OH-O 2.85Å
544	Y	98.5	Very high	95	Very high	18 Å²	18	17 Å²	17	7%	0.071	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.9	169.5	64.3	-99.9	0	0	0	111.5	P361 E363 A364 Y409 I453 I454 F456	P361-Y544 HydrophobicContact CG-CE1 4.29Å; E363-Y544 HydrophobicContact CG-CD1 4.4Å; E363-Y544 HydrophobicContact CG-CE1 3.62Å; E363-Y544 HydrophobicContact CG-CE2 4.05Å; E363-Y544 VanDerWaalsContact CG-CZ 3.42Å; E363-Y544 WeakPolarHBondContact CG-OH 3.44Å; E363-Y544 PolarHBondContact OE1-OH 2.66Å; A364-Y544 HydrophobicContact CB-CD1 3.53Å; A364-Y544 HydrophobicContact CB-CE1 4.26Å; A364-Y544 HydrophobicContact CB-CG 3.81Å; Y409-Y544 AromaticContact CD2-CD2 3.67Å; Y409-Y544 HydrophobicContact CD2-CD2 3.67Å; Y409-Y544 AromaticContact CD2-CE2 3.92Å; Y409-Y544 HydrophobicContact CD2-CE2 3.92Å; Y409-Y544 HydrophobicContact CD2-CG 4.49Å; Y409-Y544 HydrophobicContact CE2-CD2 4.3Å; Y409-Y544 HydrophobicContact CE2-CE2 4.22Å; Y409-Y544 AromaticContact CG-CD2 3.92Å; Y409-Y544 HydrophobicContact CG-CD2 3.92Å; I453-Y544 CarbonylContact C-O 3.52Å; I453-Y544 WeakPolarHBondContact CA-O 3.49Å; I454-Y544 HydrophobicContact CB-CD2 4.37Å; I454-Y544 HydrophobicContact CB-CE1 4.27Å; I454-Y544 HydrophobicContact CB-CE2 3.9Å; I454-Y544 HydrophobicContact CD1-CE2 3.78Å; I454-Y544 HydrophobicContact CG1-CE2 4.2Å; I454-Y544 HydrophobicContact CG2-CE1 4.19Å; I454-Y544 HydrophobicContact CG2-CE2 4.42Å; I454-Y544 PolarHBondContact N-O 2.72Å; I454-Y544 PolarHBondContact O-N 2.76Å; F456-Y544 AromaticContact CD1-CD1 3.5Å; F456-Y544 HydrophobicContact CD1-CD1 3.5Å; F456-Y544 AromaticContact CD1-CE1 3.9Å; F456-Y544 HydrophobicContact CD1-CE1 3.9Å; F456-Y544 AromaticContact CE1-CD1 3.82Å; F456-Y544 HydrophobicContact CE1-CD1 3.82Å; F456-Y544 HydrophobicContact CG-CD1 4.49Å
545	P	98.2	Very high	95.5	Very high	38 Å²	38	15.4 Å²	15.4	25%	0.247	8%	0.083	C	C	.	.	S	Bend	cis	-67.9	152	-11.5	31.4	-35.4	0	0	0	111.5	Y409 D410 P449 Y543	Y409-P545 HydrophobicContact CD1-CB 4.16Å; D410-P545 CarbonylContact O-C 3.53Å; D410-P545 WeakPolarHBondContact O-CA 3.32Å; P449-P545 HydrophobicContact CG-CG 4.39Å; Y543-P545 WeakPolarHBondContact CE2-O 3.49Å
546	A	95.7	Very high	95.6	Very high	41 Å²	41	15.3 Å²	15.3	34%	0.339	8%	0.082	S	C	.	.			trans	-52.9	137.1	175.7	0	0	0	0	0	111.7	D410 A412	D410-A546 HydrophobicContact CB-CB 3.79Å; D410-A546 PolarHBondContact O-N 2.74Å; A412-A546 HydrophobicContact CB-CB 3.8Å
547	T	95.1	Very high	95.8	Very high	26 Å²	26	14.9 Å²	14.9	16%	0.16	8%	0.081	C	C	.	.			trans	-120.2	176.1	171.1	76.6	0	0	0	0	109.9	L448 P449 I453 Y543 L549	L448-T547 HydrophobicContact CD2-CG2 4.18Å; P449-T547 HydrophobicContact CG-CG2 4.35Å; I453-T547 HydrophobicContact CG2-CG2 3.83Å; Y543-T547 HydrophobicContact CE2-CG2 4Å; Y543-T547 PolarHBondContact OH-N 3.07Å; Y543-T547 PolarHBondContact OH-OG1 2.02Å; T547-L549 PolarHBondContact OG1-N 2.9Å; T547-L549 VanDerWaalsContact OG1-N 3.12Å
548	K	92.3	Very high	95.7	Very high	140 Å²	140	17.4 Å²	17.4	61%	0.609	9%	0.093	S	C	*	.	S	Bend	trans	-78.8	-8	172.2	-65.2	-172.3	178.7	-171.8	0	112.9	E550 R615 S616 F621	K548-E550 PolarHBondContact O-N 3.09Å; K548-R615 HydrophobicContact CB-CG 4.28Å; K548-R615 WeakPolarHBondContact O-CA 3.49Å; K548-S616 PolarHBondContact O-N 2.95Å; K548-F621 HydrophobicContact CB-CE1 4.5Å; K548-F621 HydrophobicContact CB-CZ 3.84Å
549	L	94.7	Very high	95.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117.6	-178.9	178.2	64.8	0	0	0	110.4	M414 A447 L448 Y543 T547 V551 C552 F621	M414-L549 HydrophobicContact CE-CB 3.99Å; M414-L549 HydrophobicContact CE-CD2 3.51Å; M414-L549 HydrophobicContact CE-CG 3.65Å; M414-L549 HydrophobicContact CG-CG 4.41Å; M414-L549 HydrophobicContact SD-CD2 3.69Å; M414-L549 HydrophobicContact SD-CG 3.92Å; A447-L549 HydrophobicContact CB-CB 3.76Å; A447-L549 HydrophobicContact CB-CD1 4.36Å; A447-L549 HydrophobicContact CB-CD2 3.69Å; A447-L549 HydrophobicContact CB-CG 4.16Å; L448-L549 HydrophobicContact CD2-CD2 4.41Å; Y543-L549 PolarHBondContact OH-O 2.85Å; T547-L549 PolarHBondContact OG1-N 2.9Å; T547-L549 VanDerWaalsContact OG1-N 3.12Å; L549-V551 VanDerWaalsContact CD1-O 3.32Å; L549-V551 WeakPolarHBondContact CD1-O 3.38Å; L549-C552 HydrophobicContact CD1-CB 4.26Å; L549-C552 HydrophobicContact CD2-CB 4.17Å; L549-C552 HydrophobicContact CG-CB 4.43Å; L549-F621 HydrophobicContact CB-CE2 3.86Å; L549-F621 HydrophobicContact CB-CZ 4Å; L549-F621 HydrophobicContact CD1-CD2 4.23Å; L549-F621 HydrophobicContact CD1-CE2 3.85Å; L549-F621 HydrophobicContact CG-CE2 4.48Å
550	E	92.7	Very high	95.7	Very high	10 Å²	10	24.8 Å²	24.8	5%	0.047	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-43.3	-178.7	176.7	149.6	-160.4	0	0	111.3	K346 V347 M414 E415 K548 N614 S616	K346-E550 WeakPolarHBondContact CA-OE1 3.37Å; V347-E550 PolarHBondContact N-OE1 3.11Å; M414-E550 CarbonylContact C-O 3.57Å; M414-E550 VanDerWaalsContact CA-O 3.23Å; M414-E550 WeakPolarHBondContact CA-O 2.98Å; M414-E550 WeakPolarHBondContact CG-O 3.27Å; E415-E550 PolarHBondContact N-O 2.88Å; K548-E550 PolarHBondContact O-N 3.09Å; E550-N614 PolarHBondContact N-O 2.96Å; E550-N614 VanDerWaalsContact N-O 3.09Å; E550-S616 WeakPolarHBondContact OE2-CA 3.29Å; E550-S616 WeakPolarHBondContact OE2-CB 3.35Å; E550-S616 PolarHBondContact OE2-OG 3.25Å
551	V	94.5	Very high	95.8	Very high	21 Å²	21	24.5 Å²	24.5	13%	0.127	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.9	179.5	-175	0	0	0	0	109.5	L549 K553 Q612 C613 N614	L549-V551 VanDerWaalsContact CD1-O 3.32Å; L549-V551 WeakPolarHBondContact CD1-O 3.38Å; V551-K553 HydrophobicContact CG1-CB 4.02Å; V551-K553 HydrophobicContact CG1-CD 3.44Å; V551-K553 VanDerWaalsContact CG1-CD 3.44Å; V551-K553 HydrophobicContact CG1-CG 3.68Å; V551-Q612 CarbonylContact C-O 3.6Å; V551-Q612 HydrophobicContact CG1-CB 3.86Å; V551-C613 WeakPolarHBondContact O-CA 3.41Å; V551-N614 HydrophobicContact CB-CB 4.08Å; V551-N614 PolarHBondContact N-O 3.02Å; V551-N614 PolarHBondContact O-N 3.44Å
552	C	96.9	Very high	95.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	75.1	171.6	-158.2	0	0	0	0	110.1	M414 E415 L416 C439 C443 L549 Q612	M414-C552 HydrophobicContact CG-CB 4.36Å; M414-C552 HydrophobicContact SD-CB 3.95Å; E415-C552 CarbonylContact O-C 3.32Å; E415-C552 PolarHBondContact O-N 3.23Å; L416-C552 HydrophobicContact CD2-CB 3.97Å; C439-C552 WeakPolarHBondContact CA-SG 3.36Å; C439-C552 HydrophobicContact CB-CB 3.73Å; C439-C552 WeakPolarHBondContact CB-SG 3.38Å; C439-C552 WeakPolarHBondContact SG-CB 3.49Å; C439-C552 CovalentContact SG-SG 2.02Å; C439-C552 PolarHBondContact SG-SG 3.43Å; C443-C552 PolarHBondContact SG-SG 2.83Å; L549-C552 HydrophobicContact CD1-CB 4.26Å; L549-C552 HydrophobicContact CD2-CB 4.17Å; L549-C552 HydrophobicContact CG-CB 4.43Å; C552-Q612 CarbonylContact C-O 3.56Å; C552-Q612 VanDerWaalsContact CA-O 3.26Å; C552-Q612 WeakPolarHBondContact CA-O 3.31Å
553	K	96.3	Very high	95.8	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	163	-170.5	-60.8	170.8	80.7	167.4	0	110.9	E415 G417 L418 Y420 V551 M611 Q612	E415-K553 HydrophobicContact CB-CD 3.87Å; E415-K553 HydrophobicContact CB-CG 4.34Å; E415-K553 IonicContact OE2-NZ 3.42Å; E415-K553 PolarHBondContact OE2-NZ 3.25Å; G417-K553 CarbonylContact O-C 3.58Å; G417-K553 WeakPolarHBondContact O-CA 3.33Å; G417-K553 VanDerWaalsContact O-CB 3.31Å; G417-K553 WeakPolarHBondContact O-CB 3.09Å; L418-K553 WeakPolarHBondContact O-CE 3.42Å; L418-K553 PolarHBondContact O-NZ 2.85Å; Y420-K553 PolarHBondContact OH-NZ 3.28Å; V551-K553 HydrophobicContact CG1-CB 4.02Å; V551-K553 HydrophobicContact CG1-CD 3.44Å; V551-K553 VanDerWaalsContact CG1-CD 3.44Å; V551-K553 HydrophobicContact CG1-CG 3.68Å; K553-M611 WeakPolarHBondContact O-CE 3.5Å; K553-Q612 HydrophobicContact CB-CB 4.44Å; K553-Q612 PolarHBondContact N-O 3.44Å; K553-Q612 PolarHBondContact O-N 3.39Å
554	S	96.2	Very high	95.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	165.8	178	77.8	0	0	0	0	113.6	G417 L418 E419 Y438 S610 M611	G417-S554 PolarHBondContact O-N 3.4Å; L418-S554 WeakPolarHBondContact CA-O 3.19Å; L418-S554 WeakPolarHBondContact CD2-O 3.14Å; E419-S554 PolarHBondContact N-O 3.42Å; Y438-S554 PolarHBondContact N-OG 3.04Å; S554-S610 CarbonylContact C-O 3.5Å; S554-S610 WeakPolarHBondContact CA-O 3.45Å; S554-S610 WeakPolarHBondContact CB-O 3.18Å; S554-M611 WeakPolarHBondContact CB-SD 3.3Å
555	S	95.9	Very high	95.7	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.014	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	178.5	164.5	68.9	0	0	0	0	109.3	K423 L609 S610	K423-S555 WeakPolarHBondContact CD-OG 3.48Å; S555-L609 CarbonylContact O-C 3.33Å; S555-L609 WeakPolarHBondContact O-CA 3.45Å; S555-L609 WeakPolarHBondContact O-CB 3.29Å; S555-S610 PolarHBondContact N-O 3.12Å; S555-S610 PolarHBondContact O-N 2.97Å; S555-S610 WeakPolarHBondContact OG-CB 3.42Å
556	V	95.7	Very high	95.7	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	146.7	163.3	66.7	0	0	0	0	110.4	K423 M424 T560 L561 M603 Y604	K423-V556 HydrophobicContact CB-CG1 4.12Å; M424-V556 HydrophobicContact SD-CB 3.53Å; M424-V556 VanDerWaalsContact SD-CB 3.53Å; M424-V556 HydrophobicContact SD-CG1 3.54Å; M424-V556 VanDerWaalsContact SD-CG1 3.54Å; M424-V556 PolarHBondContact SD-N 3.33Å; V556-T560 HydrophobicContact CG2-CG2 3.49Å; V556-T560 VanDerWaalsContact CG2-CG2 3.49Å; V556-L561 HydrophobicContact CG1-CB 4.13Å; V556-L561 HydrophobicContact CG1-CD2 4.18Å; V556-M603 HydrophobicContact CG2-CE 3.98Å; V556-Y604 HydrophobicContact CB-CD1 4.29Å; V556-Y604 HydrophobicContact CG1-CE1 4.37Å
557	S	96.2	Very high	95.8	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.028	17%	0.173	C	C	.	.			trans	-65.6	153.1	172.9	81.5	0	0	0	0	111.9	T560 L561 P608 E628	S557-T560 VanDerWaalsContact OG-CB 3.25Å; S557-T560 WeakPolarHBondContact OG-CB 3.45Å; S557-T560 PolarHBondContact OG-N 2.9Å; S557-T560 PolarHBondContact OG-OG1 3.46Å; S557-L561 WeakPolarHBondContact O-CB 3.14Å; S557-L561 PolarHBondContact O-N 3.01Å; S557-L561 VanDerWaalsContact O-N 3.12Å; S557-P608 VanDerWaalsContact CB-O 3.26Å; S557-P608 WeakPolarHBondContact CB-O 3.22Å; S557-P608 PolarHBondContact N-O 3.22Å; S557-P608 PolarHBondContact OG-O 2.88Å; S557-E628 WeakPolarHBondContact CA-OE1 3.24Å; S557-E628 WeakPolarHBondContact CB-OE1 3.47Å
558	E	94.8	Very high	95.9	Very high	54 Å²	54	35.2 Å²	35.2	25%	0.252	17%	0.166	S	C	.	.	H	α-helix	trans	-62.5	-46.1	179.2	-162.8	70	-140.5	0	0	111.2	K423 T560 L561 E562 R583 E628	K423-E558 WeakPolarHBondContact CE-OE2 3.36Å; K423-E558 IonicContact NZ-OE2 2.6Å; E558-T560 PolarHBondContact O-N 2.78Å; E558-L561 PolarHBondContact O-N 2.79Å; E558-L561 VanDerWaalsContact O-N 3.17Å; E558-E562 WeakPolarHBondContact O-CG 3.48Å; E558-E562 PolarHBondContact O-N 3.03Å; E558-R583 IonicContact OE1-CZ 3.78Å; E558-R583 VanDerWaalsContact OE1-CZ 3.3Å; E558-R583 IonicContact OE1-NE 3.55Å; E558-R583 PolarHBondContact OE1-NE 3.27Å; E558-R583 IonicContact OE1-NH2 2.9Å; E558-R583 PolarHBondContact OE1-NH2 2.96Å; E558-R583 IonicContact OE2-CZ 3.86Å; E558-R583 IonicContact OE2-NE 3.58Å; E558-R583 IonicContact OE2-NH2 3.56Å; E558-R583 PolarHBondContact OE2-NH2 2.88Å; E558-E628 PolarHBondContact N-OE1 2.99Å
559	E	95	Very high	96.2	Very high	142 Å²	142	31.8 Å²	31.8	66%	0.664	15%	0.151	S	C	*	.	H	α-helix	trans	-62.2	-44.5	-179.7	-179.1	179.1	176	0	0	111.7	L561 E562 N563	E559-L561 VanDerWaalsContact C-N 3.29Å; E559-L561 PolarHBondContact O-N 3.03Å; E559-E562 PolarHBondContact O-N 3.23Å; E559-N563 WeakPolarHBondContact O-CB 3.24Å; E559-N563 VanDerWaalsContact O-CG 3.24Å; E559-N563 PolarHBondContact O-N 3.04Å; E559-N563 PolarHBondContact O-ND2 2.9Å; E559-N563 VanDerWaalsContact O-ND2 3.15Å
560	T	95.5	Very high	96.3	Very high	12 Å²	12	40 Å²	40	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-57.6	-45.8	174.9	-65.8	0	0	0	0	110.8	V556 S557 E558 N563 Y564 M603 E607	V556-T560 HydrophobicContact CG2-CG2 3.49Å; V556-T560 VanDerWaalsContact CG2-CG2 3.49Å; S557-T560 VanDerWaalsContact OG-CB 3.25Å; S557-T560 WeakPolarHBondContact OG-CB 3.45Å; S557-T560 PolarHBondContact OG-N 2.9Å; S557-T560 PolarHBondContact OG-OG1 3.46Å; E558-T560 PolarHBondContact O-N 2.78Å; T560-N563 PolarHBondContact O-N 2.89Å; T560-Y564 WeakPolarHBondContact O-CB 3.15Å; T560-Y564 PolarHBondContact O-N 2.79Å; T560-M603 HydrophobicContact CG2-CG 3.55Å; T560-M603 HydrophobicContact CG2-SD 3.79Å; T560-E607 HydrophobicContact CG2-CB 3.37Å; T560-E607 HydrophobicContact CG2-CG 3.56Å
561	L	96.1	Very high	96.5	Very high	2 Å²	2	43 Å²	43	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-69	-41.1	-176.7	-177.4	55	0	0	0	112.4	K423 V556 S557 E558 E559 N563 Y564 F565 R583 Y587	K423-L561 HydrophobicContact CB-CD2 4.19Å; K423-L561 HydrophobicContact CG-CD2 4.3Å; V556-L561 HydrophobicContact CG1-CB 4.13Å; V556-L561 HydrophobicContact CG1-CD2 4.18Å; S557-L561 WeakPolarHBondContact O-CB 3.14Å; S557-L561 PolarHBondContact O-N 3.01Å; S557-L561 VanDerWaalsContact O-N 3.12Å; E558-L561 PolarHBondContact O-N 2.79Å; E558-L561 VanDerWaalsContact O-N 3.17Å; E559-L561 VanDerWaalsContact C-N 3.29Å; E559-L561 PolarHBondContact O-N 3.03Å; L561-N563 VanDerWaalsContact C-N 3.34Å; L561-Y564 HydrophobicContact CD1-CD1 4.47Å; L561-Y564 WeakPolarHBondContact O-CB 3.24Å; L561-Y564 PolarHBondContact O-N 2.81Å; L561-F565 HydrophobicContact CD1-CD2 4.13Å; L561-F565 HydrophobicContact CD1-CE2 3.58Å; L561-F565 HydrophobicContact CD1-CZ 3.8Å; L561-F565 HydrophobicContact CD2-CE2 4.23Å; L561-F565 HydrophobicContact CG-CD2 4.13Å; L561-F565 HydrophobicContact CG-CE2 3.68Å; L561-F565 HydrophobicContact CG-CZ 4.37Å; L561-F565 WeakPolarHBondContact O-CD2 3.41Å; L561-F565 PolarHBondContact O-N 3.16Å; L561-R583 HydrophobicContact CD2-CG 4.35Å; L561-Y587 HydrophobicContact CD1-CE2 4.43Å; L561-Y587 WeakPolarHBondContact CD1-OH 3.25Å
562	E	96.3	Very high	96.6	Very high	108 Å²	108	44.6 Å²	44.6	51%	0.505	21%	0.207	S	C	.	.	H	α-helix	trans	-58.6	-46.8	172	-73.8	-178.6	-178.5	0	0	111.1	E558 E559 Y564 F565 I566	E558-E562 WeakPolarHBondContact O-CG 3.48Å; E558-E562 PolarHBondContact O-N 3.03Å; E559-E562 PolarHBondContact O-N 3.23Å; E562-Y564 VanDerWaalsContact C-N 3.31Å; E562-Y564 PolarHBondContact O-N 2.93Å; E562-F565 PolarHBondContact O-N 3.21Å; E562-I566 VanDerWaalsContact O-CG1 3.29Å; E562-I566 WeakPolarHBondContact O-CG1 3.34Å; E562-I566 PolarHBondContact O-N 3.24Å
563	N	96.6	Very high	96.6	Very high	85 Å²	85	50.5 Å²	50.5	46%	0.455	23%	0.234	S	C	.	.	H	α-helix	trans	-60.9	-39.2	176.8	-75.7	-31.2	0	0	0	112.3	E559 T560 L561 I566 Y567	E559-N563 WeakPolarHBondContact O-CB 3.24Å; E559-N563 VanDerWaalsContact O-CG 3.24Å; E559-N563 PolarHBondContact O-N 3.04Å; E559-N563 PolarHBondContact O-ND2 2.9Å; E559-N563 VanDerWaalsContact O-ND2 3.15Å; T560-N563 PolarHBondContact O-N 2.89Å; L561-N563 VanDerWaalsContact C-N 3.34Å; N563-I566 PolarHBondContact O-N 2.81Å; N563-Y567 WeakPolarHBondContact O-CB 3.33Å; N563-Y567 PolarHBondContact O-N 2.84Å
564	Y	97.3	Very high	96.6	Very high	10 Å²	10	51.2 Å²	51.2	4%	0.039	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-45.5	174.8	176.1	-96.9	0	0	0	112.1	T560 L561 E562 I566 Y567 M568 Y587 I590 Q599 L600 M603	T560-Y564 WeakPolarHBondContact O-CB 3.15Å; T560-Y564 PolarHBondContact O-N 2.79Å; L561-Y564 HydrophobicContact CD1-CD1 4.47Å; L561-Y564 WeakPolarHBondContact O-CB 3.24Å; L561-Y564 PolarHBondContact O-N 2.81Å; E562-Y564 VanDerWaalsContact C-N 3.31Å; E562-Y564 PolarHBondContact O-N 2.93Å; Y564-I566 VanDerWaalsContact C-N 3.34Å; Y564-I566 PolarHBondContact O-N 3.04Å; Y564-Y567 WeakPolarHBondContact O-CB 3.22Å; Y564-Y567 PolarHBondContact O-N 2.82Å; Y564-M568 HydrophobicContact CD1-CG 4.22Å; Y564-M568 HydrophobicContact CD2-CE 4.36Å; Y564-M568 HydrophobicContact CE1-CE 4.47Å; Y564-M568 HydrophobicContact CE1-CG 3.77Å; Y564-M568 HydrophobicContact CE2-CE 3.42Å; Y564-M568 VanDerWaalsContact CE2-CE 3.42Å; Y564-M568 HydrophobicContact CE2-CG 4.16Å; Y564-M568 VanDerWaalsContact CZ-CE 3.49Å; Y564-M568 WeakPolarHBondContact O-CB 3.31Å; Y564-M568 WeakPolarHBondContact O-CG 3.23Å; Y564-M568 PolarHBondContact O-N 3.35Å; Y564-M568 VanDerWaalsContact OH-CE 3.3Å; Y564-M568 WeakPolarHBondContact OH-CE 3.36Å; Y564-Y587 HydrophobicContact CE1-CE1 4.45Å; Y564-I590 HydrophobicContact CE1-CD1 4.24Å; Y564-Q599 HydrophobicContact CE2-CG 4.47Å; Y564-L600 HydrophobicContact CD1-CD1 4.44Å; Y564-L600 HydrophobicContact CE1-CD1 3.78Å; Y564-L600 HydrophobicContact CE2-CB 4.42Å; Y564-L600 HydrophobicContact CE2-CD1 4.07Å; Y564-M603 WeakPolarHBondContact CB-SD 3.46Å; Y564-M603 HydrophobicContact CD1-SD 4.4Å; Y564-M603 HydrophobicContact CD2-SD 3.68Å; Y564-M603 HydrophobicContact CG-SD 3.6Å; Y564-M603 VanDerWaalsContact CG-SD 3.6Å
565	F	97.9	Very high	96.6	Very high	9 Å²	9	58 Å²	58	4%	0.039	27%	0.269	C	S	.	.	H	α-helix	trans	-66.7	-34.6	175.6	-69.8	-45	0	0	0	112.7	L561 E562 M568 K569 V577 L579 R583 N586 Y587 I590	L561-F565 HydrophobicContact CD1-CD2 4.13Å; L561-F565 HydrophobicContact CD1-CE2 3.58Å; L561-F565 HydrophobicContact CD1-CZ 3.8Å; L561-F565 HydrophobicContact CD2-CE2 4.23Å; L561-F565 HydrophobicContact CG-CD2 4.13Å; L561-F565 HydrophobicContact CG-CE2 3.68Å; L561-F565 HydrophobicContact CG-CZ 4.37Å; L561-F565 WeakPolarHBondContact O-CD2 3.41Å; L561-F565 PolarHBondContact O-N 3.16Å; E562-F565 PolarHBondContact O-N 3.21Å; F565-M568 PolarHBondContact O-N 3.1Å; F565-K569 WeakPolarHBondContact O-CB 3.13Å; F565-K569 PolarHBondContact O-N 3.36Å; F565-V577 HydrophobicContact CB-CG1 3.87Å; F565-V577 HydrophobicContact CD1-CG1 4.24Å; F565-V577 HydrophobicContact CG-CG1 4.33Å; F565-L579 HydrophobicContact CB-CD2 4.2Å; F565-R583 HydrophobicContact CE2-CB 4.16Å; F565-R583 HydrophobicContact CE2-CG 4.29Å; F565-R583 HydrophobicContact CZ-CB 4.41Å; F565-N586 HydrophobicContact CD1-CB 3.78Å; F565-N586 HydrophobicContact CD2-CB 4.42Å; F565-N586 HydrophobicContact CE1-CB 3.51Å; F565-N586 HydrophobicContact CE2-CB 4.16Å; F565-N586 HydrophobicContact CG-CB 4.24Å; F565-N586 HydrophobicContact CZ-CB 3.71Å; F565-Y587 HydrophobicContact CE1-CD1 4.04Å; F565-Y587 HydrophobicContact CE1-CE1 4.09Å; F565-Y587 HydrophobicContact CE1-CG 4.28Å; F565-Y587 HydrophobicContact CZ-CD1 4.15Å; F565-Y587 AromaticContact CZ-CD2 3.92Å; F565-Y587 HydrophobicContact CZ-CD2 3.92Å; F565-Y587 HydrophobicContact CZ-CE1 4.03Å; F565-Y587 AromaticContact CZ-CE2 3.8Å; F565-Y587 HydrophobicContact CZ-CE2 3.8Å; F565-Y587 HydrophobicContact CZ-CG 4.11Å; F565-Y587 AromaticContact CZ-CZ 3.87Å; F565-I590 HydrophobicContact CE1-CD1 4.33Å
566	I	97.7	Very high	96.6	Very high	49 Å²	49	59.5 Å²	59.5	25%	0.251	29%	0.285	S	S	.	.	H	α-helix	trans	-60.6	-47.2	171.3	-70	166.8	0	0	0	110.5	E562 N563 Y564 K569 R570 L579	E562-I566 VanDerWaalsContact O-CG1 3.29Å; E562-I566 WeakPolarHBondContact O-CG1 3.34Å; E562-I566 PolarHBondContact O-N 3.24Å; N563-I566 PolarHBondContact O-N 2.81Å; Y564-I566 VanDerWaalsContact C-N 3.34Å; Y564-I566 PolarHBondContact O-N 3.04Å; I566-K569 PolarHBondContact O-N 3.3Å; I566-R570 HydrophobicContact CG2-CG 4.38Å; I566-R570 WeakPolarHBondContact O-CB 3.23Å; I566-R570 WeakPolarHBondContact O-CG 3.43Å; I566-R570 PolarHBondContact O-N 2.95Å; I566-L579 HydrophobicContact CB-CD2 4.44Å; I566-L579 HydrophobicContact CG1-CD1 3.88Å; I566-L579 HydrophobicContact CG1-CD2 3.75Å; I566-L579 HydrophobicContact CG1-CG 4.44Å
567	Y	97.3	Very high	96.6	Very high	87 Å²	87	59.4 Å²	59.4	34%	0.341	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-49.5	177.1	178.6	-86.7	0	0	0	111.4	N563 Y564 K569 R570 T571 E572 Q599	N563-Y567 WeakPolarHBondContact O-CB 3.33Å; N563-Y567 PolarHBondContact O-N 2.84Å; Y564-Y567 WeakPolarHBondContact O-CB 3.22Å; Y564-Y567 PolarHBondContact O-N 2.82Å; Y567-K569 VanDerWaalsContact C-N 3.26Å; Y567-K569 PolarHBondContact O-N 3.26Å; Y567-R570 PolarHBondContact O-N 2.71Å; Y567-T571 HydrophobicContact CD2-CG2 4.28Å; Y567-T571 HydrophobicContact CE1-CG2 4.49Å; Y567-T571 HydrophobicContact CE2-CG2 3.66Å; Y567-T571 WeakPolarHBondContact O-CA 3.4Å; Y567-T571 WeakPolarHBondContact O-CB 3.46Å; Y567-T571 PolarHBondContact O-N 3.39Å; Y567-E572 HydrophobicContact CD1-CG 4.1Å; Y567-E572 HydrophobicContact CE1-CG 3.52Å; Y567-E572 PolarHBondContact O-N 2.81Å; Y567-Q599 VanDerWaalsContact CE1-OE1 3.24Å
568	M	97.9	Very high	96.7	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.2	-40.7	179.6	-76.2	-65.5	153.7	0	0	111.7	Y564 F565 E572 H573 Q574 V577 I590 R596	Y564-M568 HydrophobicContact CD1-CG 4.22Å; Y564-M568 HydrophobicContact CD2-CE 4.36Å; Y564-M568 HydrophobicContact CE1-CE 4.47Å; Y564-M568 HydrophobicContact CE1-CG 3.77Å; Y564-M568 HydrophobicContact CE2-CE 3.42Å; Y564-M568 VanDerWaalsContact CE2-CE 3.42Å; Y564-M568 HydrophobicContact CE2-CG 4.16Å; Y564-M568 VanDerWaalsContact CZ-CE 3.49Å; Y564-M568 WeakPolarHBondContact O-CB 3.31Å; Y564-M568 WeakPolarHBondContact O-CG 3.23Å; Y564-M568 PolarHBondContact O-N 3.35Å; Y564-M568 VanDerWaalsContact OH-CE 3.3Å; Y564-M568 WeakPolarHBondContact OH-CE 3.36Å; F565-M568 PolarHBondContact O-N 3.1Å; M568-E572 HydrophobicContact CE-CG 4.24Å; M568-E572 CarbonylContact O-C 3.49Å; M568-E572 WeakPolarHBondContact O-CB 3.42Å; M568-E572 HydrophobicContact SD-CB 3.95Å; M568-E572 HydrophobicContact SD-CG 3.89Å; M568-H573 PolarHBondContact O-N 3.07Å; M568-Q574 HydrophobicContact CB-CB 4.39Å; M568-Q574 HydrophobicContact CB-CG 4.32Å; M568-Q574 VanDerWaalsContact O-CB 3.31Å; M568-Q574 WeakPolarHBondContact O-CB 3.26Å; M568-Q574 WeakPolarHBondContact O-CG 3.35Å; M568-Q574 PolarHBondContact O-N 3.15Å; M568-Q574 HydrophobicContact SD-CG 4.31Å; M568-V577 HydrophobicContact CB-CG2 4.44Å; M568-I590 HydrophobicContact CB-CD1 4.5Å; M568-I590 HydrophobicContact CG-CD1 4.17Å; M568-R596 HydrophobicContact CE-CB 4.35Å; M568-R596 HydrophobicContact CE-CG 4.15Å; M568-R596 HydrophobicContact SD-CG 4.34Å
569	K	97.7	Very high	96.6	Very high	67 Å²	67	65.3 Å²	65.3	29%	0.291	31%	0.313	S	S	.	.	H	α-helix	trans	-71.3	-49.3	178.3	-175.2	175.3	-172.2	137.4	0	113.4	F565 I566 Y567 V577 L579	F565-K569 WeakPolarHBondContact O-CB 3.13Å; F565-K569 PolarHBondContact O-N 3.36Å; I566-K569 PolarHBondContact O-N 3.3Å; Y567-K569 VanDerWaalsContact C-N 3.26Å; Y567-K569 PolarHBondContact O-N 3.26Å; K569-V577 HydrophobicContact CB-CB 4.19Å; K569-V577 HydrophobicContact CB-CG1 4.21Å; K569-V577 WeakPolarHBondContact CD-O 3.28Å; K569-V577 WeakPolarHBondContact CE-O 3.24Å; K569-V577 PolarHBondContact NZ-O 3.02Å; K569-L579 HydrophobicContact CD-CD1 4.35Å; K569-L579 HydrophobicContact CD-CD2 4.2Å; K569-L579 HydrophobicContact CD-CG 4Å
570	R	97.3	Very high	96.5	Very high	174 Å²	174	66.9 Å²	66.9	66%	0.657	33%	0.326	S	S	*	.	H	α-helix	trans	-88.3	-33.9	-167.8	-65.6	-175.2	-178.4	178.3	1.9	113.3	I566 Y567	I566-R570 HydrophobicContact CG2-CG 4.38Å; I566-R570 WeakPolarHBondContact O-CB 3.23Å; I566-R570 WeakPolarHBondContact O-CG 3.43Å; I566-R570 PolarHBondContact O-N 2.95Å; Y567-R570 PolarHBondContact O-N 2.71Å
571	T	96.7	Very high	96.4	Very high	74 Å²	74	68 Å²	68	45%	0.454	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-45.6	-174	-56.1	0	0	0	0	111.3	Y567 H573	Y567-T571 HydrophobicContact CD2-CG2 4.28Å; Y567-T571 HydrophobicContact CE1-CG2 4.49Å; Y567-T571 HydrophobicContact CE2-CG2 3.66Å; Y567-T571 WeakPolarHBondContact O-CA 3.4Å; Y567-T571 WeakPolarHBondContact O-CB 3.46Å; Y567-T571 PolarHBondContact O-N 3.39Å; T571-H573 VanDerWaalsContact C-N 3.3Å; T571-H573 PolarHBondContact O-CE1 2.89Å; T571-H573 VanDerWaalsContact O-CE1 3.28Å; T571-H573 PolarHBondContact O-N 3.1Å; T571-H573 PolarHBondContact O-ND1 3.38Å
572	E	97	Very high	96.3	Very high	54 Å²	54	70.4 Å²	70.4	25%	0.252	36%	0.36	S	S	.	.	S	Bend	trans	-87.8	3.7	178.1	-70.3	-68.3	132.7	0	0	113.7	Y567 M568 Q574 R596	Y567-E572 HydrophobicContact CD1-CG 4.1Å; Y567-E572 HydrophobicContact CE1-CG 3.52Å; Y567-E572 PolarHBondContact O-N 2.81Å; M568-E572 HydrophobicContact CE-CG 4.24Å; M568-E572 CarbonylContact O-C 3.49Å; M568-E572 WeakPolarHBondContact O-CB 3.42Å; M568-E572 HydrophobicContact SD-CB 3.95Å; M568-E572 HydrophobicContact SD-CG 3.89Å; E572-Q574 HydrophobicContact CB-CG 4.09Å; E572-Q574 PolarHBondContact O-N 3.44Å; E572-Q574 VanDerWaalsContact O-N 3.1Å; E572-Q574 PolarHBondContact O-NE2 2.95Å; E572-R596 IonicContact OE2-CZ 3.71Å; E572-R596 IonicContact OE2-NE 3.92Å; E572-R596 PolarHBondContact OE2-NE 2.96Å; E572-R596 IonicContact OE2-NH2 3.56Å; E572-R596 PolarHBondContact OE2-NH2 3.36Å; E572-R596 VanDerWaalsContact OE2-NH2 3.14Å
573	H	96.5	Very high	96.2	Very high	123 Å²	123	68.7 Å²	68.7	57%	0.569	35%	0.349	S	S	*	.			trans	52.7	31.9	177.1	-54.5	89.2	0	0	0	114.1	M568 T571 H575	M568-H573 PolarHBondContact O-N 3.07Å; T571-H573 VanDerWaalsContact C-N 3.3Å; T571-H573 PolarHBondContact O-CE1 2.89Å; T571-H573 VanDerWaalsContact O-CE1 3.28Å; T571-H573 PolarHBondContact O-N 3.1Å; T571-H573 PolarHBondContact O-ND1 3.38Å; H573-H575 VanDerWaalsContact C-N 3.31Å; H573-H575 PolarHBondContact O-CD2 2.99Å; H573-H575 PolarHBondContact O-N 2.83Å
574	Q	97.4	Very high	96.1	Very high	16 Å²	16	65.9 Å²	65.9	8%	0.075	34%	0.336	C	S	.	.			trans	-76.6	80.8	175.4	-58.9	-57.6	-73	0	0	109.9	M568 E572 G576 V577 I590 R596	M568-Q574 HydrophobicContact CB-CB 4.39Å; M568-Q574 HydrophobicContact CB-CG 4.32Å; M568-Q574 VanDerWaalsContact O-CB 3.31Å; M568-Q574 WeakPolarHBondContact O-CB 3.26Å; M568-Q574 WeakPolarHBondContact O-CG 3.35Å; M568-Q574 PolarHBondContact O-N 3.15Å; M568-Q574 HydrophobicContact SD-CG 4.31Å; E572-Q574 HydrophobicContact CB-CG 4.09Å; E572-Q574 PolarHBondContact O-N 3.44Å; E572-Q574 VanDerWaalsContact O-N 3.1Å; E572-Q574 PolarHBondContact O-NE2 2.95Å; Q574-G576 PolarHBondContact O-N 2.8Å; Q574-V577 HydrophobicContact CB-CG2 3.86Å; Q574-V577 WeakPolarHBondContact O-CB 3.5Å; Q574-V577 PolarHBondContact O-N 3.45Å; Q574-I590 HydrophobicContact CG-CG2 4.47Å; Q574-R596 VanDerWaalsContact NE2-NH2 3.15Å
575	H	95.5	Very high	96.1	Very high	143 Å²	143	68.9 Å²	68.9	66%	0.662	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.2	-172	-65.2	-55.5	0	0	0	114.8	H573 V577	H573-H575 VanDerWaalsContact C-N 3.31Å; H573-H575 PolarHBondContact O-CD2 2.99Å; H573-H575 PolarHBondContact O-N 2.83Å; H575-V577 PolarHBondContact O-N 2.93Å
576	G	95.8	Very high	96.1	Very high	34 Å²	34	68.6 Å²	68.6	35%	0.351	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-13.4	173.2	0	0	0	0	0	114.1	Q574 H578 S589	Q574-G576 PolarHBondContact O-N 2.8Å; G576-H578 PolarHBondContact O-CD2 2.89Å; G576-H578 PolarHBondContact O-N 3.16Å; G576-S589 WeakPolarHBondContact O-CB 3.37Å; G576-S589 PolarHBondContact O-OG 3.31Å
577	V	97.1	Very high	96.1	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.345	C	S	.	.			trans	-75.9	121.7	177.2	177.4	0	0	0	0	110.5	F565 M568 K569 Q574 H575 L579 N586 S589 I590	F565-V577 HydrophobicContact CB-CG1 3.87Å; F565-V577 HydrophobicContact CD1-CG1 4.24Å; F565-V577 HydrophobicContact CG-CG1 4.33Å; M568-V577 HydrophobicContact CB-CG2 4.44Å; K569-V577 HydrophobicContact CB-CB 4.19Å; K569-V577 HydrophobicContact CB-CG1 4.21Å; K569-V577 WeakPolarHBondContact CD-O 3.28Å; K569-V577 WeakPolarHBondContact CE-O 3.24Å; K569-V577 PolarHBondContact NZ-O 3.02Å; Q574-V577 HydrophobicContact CB-CG2 3.86Å; Q574-V577 WeakPolarHBondContact O-CB 3.5Å; Q574-V577 PolarHBondContact O-N 3.45Å; H575-V577 PolarHBondContact O-N 2.93Å; V577-L579 HydrophobicContact CG1-CD2 4.36Å; V577-N586 HydrophobicContact CG1-CB 4.32Å; V577-S589 PolarHBondContact N-OG 2.93Å; V577-I590 HydrophobicContact CG2-CD1 4.43Å; V577-I590 HydrophobicContact CG2-CG1 3.86Å
578	H	96.5	Very high	96.1	Very high	116 Å²	116	68.1 Å²	68.1	54%	0.537	35%	0.352	S	S	.	.			trans	-111.8	112.3	176.5	-64.5	-81.6	0	0	0	109.7	G576 N580 G581 N586	G576-H578 PolarHBondContact O-CD2 2.89Å; G576-H578 PolarHBondContact O-N 3.16Å; H578-N580 PolarHBondContact O-N 3.36Å; H578-N580 VanDerWaalsContact O-N 3.15Å; H578-G581 WeakPolarHBondContact O-CA 3.46Å; H578-G581 PolarHBondContact O-N 3.25Å; H578-N586 PolarHBondContact N-OD1 2.82Å; H578-N586 PolarHBondContact O-ND2 3.42Å; H578-N586 PolarHBondContact O-OD1 2.81Å; H578-N586 VanDerWaalsContact O-OD1 3.1Å
579	L	93.3	Very high	96	Very high	67 Å²	67	70.1 Å²	70.1	35%	0.351	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.3	-173.7	-57.6	-179.4	0	0	0	114.1	F565 I566 K569 V577	F565-L579 HydrophobicContact CB-CD2 4.2Å; I566-L579 HydrophobicContact CB-CD2 4.44Å; I566-L579 HydrophobicContact CG1-CD1 3.88Å; I566-L579 HydrophobicContact CG1-CD2 3.75Å; I566-L579 HydrophobicContact CG1-CG 4.44Å; K569-L579 HydrophobicContact CD-CD1 4.35Å; K569-L579 HydrophobicContact CD-CD2 4.2Å; K569-L579 HydrophobicContact CD-CG 4Å; V577-L579 HydrophobicContact CG1-CD2 4.36Å
580	N	92.6	Very high	96	Very high	175 Å²	175	67.3 Å²	67.3	94%	0.936	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	6.9	173.8	-59.4	-11.1	0	0	0	112.4	H578	H578-N580 PolarHBondContact O-N 3.36Å; H578-N580 VanDerWaalsContact O-N 3.15Å
581	G	92.8	Very high	96	Very high	36 Å²	36	65.3 Å²	65.3	37%	0.371	35%	0.352	S	S	.	.	S	Bend	trans	-87.6	171.2	-179.9	0	0	0	0	0	112.3	H578	H578-G581 WeakPolarHBondContact O-CA 3.46Å; H578-G581 PolarHBondContact O-N 3.25Å
582	A	94.9	Very high	96.1	Very high	52 Å²	52	63.7 Å²	63.7	43%	0.43	34%	0.338	S	S	.	.			trans	-64	141.3	175.1	0	0	0	0	0	111.4	S584 S585 N586	A582-S584 VanDerWaalsContact C-N 3.32Å; A582-S584 PolarHBondContact O-N 2.75Å; A582-S585 WeakPolarHBondContact O-CB 3.33Å; A582-S585 PolarHBondContact O-N 2.92Å; A582-S585 VanDerWaalsContact O-N 3.11Å; A582-N586 PolarHBondContact O-N 2.76Å
583	R	95.2	Very high	96	Very high	71 Å²	71	63.5 Å²	63.5	27%	0.268	34%	0.34	S	S	.	.	H	α-helix	trans	-58.9	-46.1	179.4	-54.2	177.1	-169.2	113.4	-0.2	110.9	D422 E558 L561 F565 S585 N586 Y587	D422-R583 IonicContact OD1-NH1 2.75Å; D422-R583 PolarHBondContact OD1-NH1 2.03Å; E558-R583 IonicContact OE1-CZ 3.78Å; E558-R583 VanDerWaalsContact OE1-CZ 3.3Å; E558-R583 IonicContact OE1-NE 3.55Å; E558-R583 PolarHBondContact OE1-NE 3.27Å; E558-R583 IonicContact OE1-NH2 2.9Å; E558-R583 PolarHBondContact OE1-NH2 2.96Å; E558-R583 IonicContact OE2-CZ 3.86Å; E558-R583 IonicContact OE2-NE 3.58Å; E558-R583 IonicContact OE2-NH2 3.56Å; E558-R583 PolarHBondContact OE2-NH2 2.88Å; L561-R583 HydrophobicContact CD2-CG 4.35Å; F565-R583 HydrophobicContact CE2-CB 4.16Å; F565-R583 HydrophobicContact CE2-CG 4.29Å; F565-R583 HydrophobicContact CZ-CB 4.41Å; R583-S585 VanDerWaalsContact C-N 3.35Å; R583-S585 PolarHBondContact O-N 2.85Å; R583-N586 WeakPolarHBondContact O-CB 3.47Å; R583-N586 PolarHBondContact O-N 3.24Å; R583-Y587 WeakPolarHBondContact O-CD2 3.3Å; R583-Y587 PolarHBondContact O-N 3.5Å
584	S	94.6	Very high	95.8	Very high	27 Å²	27	62.7 Å²	62.7	19%	0.189	34%	0.337	C	S	.	.	H	α-helix	trans	-46.1	-51.1	169.7	51.3	0	0	0	0	114.1	D422 A582 R588	D422-S584 WeakPolarHBondContact OD2-CB 3.08Å; D422-S584 PolarHBondContact OD2-N 3.15Å; D422-S584 VanDerWaalsContact OD2-N 3.08Å; A582-S584 VanDerWaalsContact C-N 3.32Å; A582-S584 PolarHBondContact O-N 2.75Å; S584-R588 WeakPolarHBondContact O-CB 3.12Å; S584-R588 WeakPolarHBondContact O-CG 3.11Å; S584-R588 PolarHBondContact O-N 2.78Å; S584-R588 VanDerWaalsContact O-N 3.1Å
585	S	96.5	Very high	95.7	Very high	72 Å²	72	66.2 Å²	66.2	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-64.3	-40.9	177	-62.7	0	0	0	0	112.1	A582 R583 R588 S589	A582-S585 WeakPolarHBondContact O-CB 3.33Å; A582-S585 PolarHBondContact O-N 2.92Å; A582-S585 VanDerWaalsContact O-N 3.11Å; R583-S585 VanDerWaalsContact C-N 3.35Å; R583-S585 PolarHBondContact O-N 2.85Å; S585-R588 PolarHBondContact O-N 2.88Å; S585-S589 WeakPolarHBondContact O-CB 3.12Å; S585-S589 PolarHBondContact O-N 3Å
586	N	97.9	Very high	95.7	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-62.6	-49	177.6	-72.4	-20.1	0	0	0	111.5	F565 V577 H578 A582 R583 R588 S589 I590	F565-N586 HydrophobicContact CD1-CB 3.78Å; F565-N586 HydrophobicContact CD2-CB 4.42Å; F565-N586 HydrophobicContact CE1-CB 3.51Å; F565-N586 HydrophobicContact CE2-CB 4.16Å; F565-N586 HydrophobicContact CG-CB 4.24Å; F565-N586 HydrophobicContact CZ-CB 3.71Å; V577-N586 HydrophobicContact CG1-CB 4.32Å; H578-N586 PolarHBondContact N-OD1 2.82Å; H578-N586 PolarHBondContact O-ND2 3.42Å; H578-N586 PolarHBondContact O-OD1 2.81Å; H578-N586 VanDerWaalsContact O-OD1 3.1Å; A582-N586 PolarHBondContact O-N 2.76Å; R583-N586 WeakPolarHBondContact O-CB 3.47Å; R583-N586 PolarHBondContact O-N 3.24Å; N586-R588 VanDerWaalsContact C-N 3.32Å; N586-R588 PolarHBondContact O-N 2.94Å; N586-S589 PolarHBondContact O-N 2.89Å; N586-S589 VanDerWaalsContact O-N 3.13Å; N586-S589 PolarHBondContact O-OG 3.49Å; N586-I590 WeakPolarHBondContact O-CG1 3.22Å; N586-I590 PolarHBondContact O-N 3.4Å
587	Y	97.7	Very high	95.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.9	-42	176.3	-78.4	-58.9	0	0	0	112.9	D422 K423 A425 L527 L561 Y564 F565 R583 S589 W592 L600 Y604	D422-Y587 WeakPolarHBondContact O-CE2 3.4Å; K423-Y587 PolarHBondContact O-OH 3.02Å; A425-Y587 HydrophobicContact CB-CD1 3.81Å; A425-Y587 HydrophobicContact CB-CD2 3.52Å; A425-Y587 HydrophobicContact CB-CE1 3.98Å; A425-Y587 HydrophobicContact CB-CE2 3.69Å; A425-Y587 HydrophobicContact CB-CG 3.57Å; L527-Y587 HydrophobicContact CD2-CD2 4.16Å; L561-Y587 HydrophobicContact CD1-CE2 4.43Å; L561-Y587 WeakPolarHBondContact CD1-OH 3.25Å; Y564-Y587 HydrophobicContact CE1-CE1 4.45Å; F565-Y587 HydrophobicContact CE1-CD1 4.04Å; F565-Y587 HydrophobicContact CE1-CE1 4.09Å; F565-Y587 HydrophobicContact CE1-CG 4.28Å; F565-Y587 HydrophobicContact CZ-CD1 4.15Å; F565-Y587 AromaticContact CZ-CD2 3.92Å; F565-Y587 HydrophobicContact CZ-CD2 3.92Å; F565-Y587 HydrophobicContact CZ-CE1 4.03Å; F565-Y587 AromaticContact CZ-CE2 3.8Å; F565-Y587 HydrophobicContact CZ-CE2 3.8Å; F565-Y587 HydrophobicContact CZ-CG 4.11Å; F565-Y587 AromaticContact CZ-CZ 3.87Å; R583-Y587 WeakPolarHBondContact O-CD2 3.3Å; R583-Y587 PolarHBondContact O-N 3.5Å; Y587-S589 VanDerWaalsContact C-N 3.29Å; Y587-S589 PolarHBondContact O-N 2.91Å; Y587-W592 HydrophobicContact CD1-CH2 4.08Å; Y587-W592 AromaticContact CD1-CZ2 3.98Å; Y587-W592 HydrophobicContact CD1-CZ2 3.98Å; Y587-W592 WeakPolarHBondContact O-CZ2 3.25Å; Y587-W592 PolarHBondContact O-NE1 3.46Å; Y587-W592 VanDerWaalsContact O-NE1 3.14Å; Y587-L600 HydrophobicContact CE1-CD1 4.01Å; Y587-Y604 PolarHBondContact OH-OH 2.65Å; Y587-Y604 VanDerWaalsContact OH-OH 3.11Å
588	R	96.9	Very high	95.4	Very high	127 Å²	127	63 Å²	63	48%	0.479	34%	0.339	S	S	.	.	H	α-helix	trans	-72.9	-20.2	179.1	-70.2	175.4	176	167.2	1.1	113.7	S584 S585 N586	S584-R588 WeakPolarHBondContact O-CB 3.12Å; S584-R588 WeakPolarHBondContact O-CG 3.11Å; S584-R588 PolarHBondContact O-N 2.78Å; S584-R588 VanDerWaalsContact O-N 3.1Å; S585-R588 PolarHBondContact O-N 2.88Å; N586-R588 VanDerWaalsContact C-N 3.32Å; N586-R588 PolarHBondContact O-N 2.94Å
589	S	97.1	Very high	95.3	Very high	42 Å²	42	60.1 Å²	60.1	29%	0.294	33%	0.325	S	S	.	.	H	α-helix	trans	-84	-16.6	178.6	76.6	0	0	0	0	114.4	G576 V577 S585 N586 Y587	G576-S589 WeakPolarHBondContact O-CB 3.37Å; G576-S589 PolarHBondContact O-OG 3.31Å; V577-S589 PolarHBondContact N-OG 2.93Å; S585-S589 WeakPolarHBondContact O-CB 3.12Å; S585-S589 PolarHBondContact O-N 3Å; N586-S589 PolarHBondContact O-N 2.89Å; N586-S589 VanDerWaalsContact O-N 3.13Å; N586-S589 PolarHBondContact O-OG 3.49Å; Y587-S589 VanDerWaalsContact C-N 3.29Å; Y587-S589 PolarHBondContact O-N 2.91Å
590	I	97.8	Very high	95.4	Very high	8 Å²	8	57 Å²	57	4%	0.041	31%	0.309	C	S	.	.	S	Bend	trans	-74.1	133.4	179.9	-67.8	166	0	0	0	109.4	Y564 F565 M568 Q574 V577 N586 W592	Y564-I590 HydrophobicContact CE1-CD1 4.24Å; F565-I590 HydrophobicContact CE1-CD1 4.33Å; M568-I590 HydrophobicContact CB-CD1 4.5Å; M568-I590 HydrophobicContact CG-CD1 4.17Å; Q574-I590 HydrophobicContact CG-CG2 4.47Å; V577-I590 HydrophobicContact CG2-CD1 4.43Å; V577-I590 HydrophobicContact CG2-CG1 3.86Å; N586-I590 WeakPolarHBondContact O-CG1 3.22Å; N586-I590 PolarHBondContact O-N 3.4Å; I590-W592 HydrophobicContact CB-CD2 4.4Å; I590-W592 HydrophobicContact CB-CH2 4.42Å; I590-W592 HydrophobicContact CB-CZ2 3.91Å; I590-W592 HydrophobicContact CD1-CH2 3.92Å; I590-W592 HydrophobicContact CD1-CZ2 3.95Å; I590-W592 HydrophobicContact CG2-CD2 3.84Å; I590-W592 HydrophobicContact CG2-CE3 3.98Å; I590-W592 HydrophobicContact CG2-CG 4.4Å; I590-W592 HydrophobicContact CG2-CH2 4.15Å; I590-W592 HydrophobicContact CG2-CZ2 4.01Å; I590-W592 HydrophobicContact CG2-CZ3 4.13Å; I590-W592 VanDerWaalsContact O-CD1 3.22Å; I590-W592 PolarHBondContact O-N 2.98Å; I590-W592 PolarHBondContact O-NE1 2.9Å
591	E	97.3	Very high	95.3	Very high	131 Å²	131	50 Å²	50	61%	0.612	27%	0.269	S	S	*	.			trans	-78.3	108.9	165.9	-177.5	-170.7	-168.8	0	0	108.9	T593 R596	E591-T593 PolarHBondContact O-N 2.91Å; E591-R596 VanDerWaalsContact O-CD 3.28Å; E591-R596 WeakPolarHBondContact O-CD 3.47Å; E591-R596 PolarHBondContact O-NH1 2.7Å; E591-R596 IonicContact OE2-NH1 3.64Å
592	W	96.7	Very high	95.2	Very high	41 Å²	41	51 Å²	51	16%	0.155	27%	0.269	C	S	.	.			trans	-81.3	112.8	-174.5	-64.6	100.6	0	0	0	112.1	P427 P428 A525 Y587 I590 R596 I597 L600	P427-W592 HydrophobicContact CB-CD2 3.94Å; P427-W592 HydrophobicContact CB-CE3 4.01Å; P427-W592 HydrophobicContact CB-CG 4.21Å; P427-W592 HydrophobicContact CG-CD2 4.35Å; P427-W592 HydrophobicContact CG-CE3 4.01Å; P427-W592 HydrophobicContact CG-CZ3 4.1Å; P428-W592 HydrophobicContact CG-CB 4.25Å; P428-W592 HydrophobicContact CG-CG 4.13Å; A525-W592 HydrophobicContact CB-CZ2 4.4Å; Y587-W592 HydrophobicContact CD1-CH2 4.08Å; Y587-W592 AromaticContact CD1-CZ2 3.98Å; Y587-W592 HydrophobicContact CD1-CZ2 3.98Å; Y587-W592 WeakPolarHBondContact O-CZ2 3.25Å; Y587-W592 PolarHBondContact O-NE1 3.46Å; Y587-W592 VanDerWaalsContact O-NE1 3.14Å; I590-W592 HydrophobicContact CB-CD2 4.4Å; I590-W592 HydrophobicContact CB-CH2 4.42Å; I590-W592 HydrophobicContact CB-CZ2 3.91Å; I590-W592 HydrophobicContact CD1-CH2 3.92Å; I590-W592 HydrophobicContact CD1-CZ2 3.95Å; I590-W592 HydrophobicContact CG2-CD2 3.84Å; I590-W592 HydrophobicContact CG2-CE3 3.98Å; I590-W592 HydrophobicContact CG2-CG 4.4Å; I590-W592 HydrophobicContact CG2-CH2 4.15Å; I590-W592 HydrophobicContact CG2-CZ2 4.01Å; I590-W592 HydrophobicContact CG2-CZ3 4.13Å; I590-W592 VanDerWaalsContact O-CD1 3.22Å; I590-W592 PolarHBondContact O-N 2.98Å; I590-W592 PolarHBondContact O-NE1 2.9Å; W592-R596 HydrophobicContact CE3-CB 4.36Å; W592-I597 HydrophobicContact CE3-CG1 4.23Å; W592-L600 HydrophobicContact CH2-CD2 3.81Å; W592-L600 HydrophobicContact CZ3-CB 4.33Å; W592-L600 HydrophobicContact CZ3-CD2 3.9Å
593	T	95.7	Very high	95.1	Very high	50 Å²	50	49.3 Å²	49.3	31%	0.307	25%	0.252	S	S	.	.			trans	-113.7	159.4	170.7	62.8	0	0	0	0	109.5	E591 P595 R596 I597	E591-T593 PolarHBondContact O-N 2.91Å; T593-P595 VanDerWaalsContact C-N 3.35Å; T593-R596 PolarHBondContact O-N 3.26Å; T593-I597 WeakPolarHBondContact O-CG1 3.24Å; T593-I597 PolarHBondContact O-N 2.78Å
594	Q	92.4	Very high	95	Very high	106 Å²	106	46.6 Å²	46.6	50%	0.495	24%	0.242	S	C	.	.	H	α-helix	trans	-52.7	-44.9	-179.3	-167.9	64	40.6	0	0	113.3	R596 I597 D598	Q594-R596 VanDerWaalsContact C-N 3.3Å; Q594-R596 PolarHBondContact O-N 2.85Å; Q594-I597 WeakPolarHBondContact O-CB 2.85Å; Q594-I597 PolarHBondContact O-N 2.95Å; Q594-D598 PolarHBondContact NE2-OD1 3.43Å; Q594-D598 PolarHBondContact O-N 2.81Å
595	P	94.9	Very high	94.6	Very high	90 Å²	90	47.4 Å²	47.4	58%	0.584	24%	0.243	S	C	*	.	H	α-helix	trans	-58.7	-36.5	176	-26.5	36.6	0	0	0	114.4	T593 Q599	T593-P595 VanDerWaalsContact C-N 3.35Å; P595-Q599 WeakPolarHBondContact O-CB 3.14Å; P595-Q599 PolarHBondContact O-N 3.17Å
596	R	96.1	Very high	94.1	Very high	26 Å²	26	51.1 Å²	51.1	10%	0.098	25%	0.253	C	S	.	.	H	α-helix	trans	-73.8	-35.7	178.2	-68.7	174.8	-173	142.1	5.3	112	M568 E572 Q574 E591 W592 T593 Q594 Q599 L600	M568-R596 HydrophobicContact CE-CB 4.35Å; M568-R596 HydrophobicContact CE-CG 4.15Å; M568-R596 HydrophobicContact SD-CG 4.34Å; E572-R596 IonicContact OE2-CZ 3.71Å; E572-R596 IonicContact OE2-NE 3.92Å; E572-R596 PolarHBondContact OE2-NE 2.96Å; E572-R596 IonicContact OE2-NH2 3.56Å; E572-R596 PolarHBondContact OE2-NH2 3.36Å; E572-R596 VanDerWaalsContact OE2-NH2 3.14Å; Q574-R596 VanDerWaalsContact NE2-NH2 3.15Å; E591-R596 VanDerWaalsContact O-CD 3.28Å; E591-R596 WeakPolarHBondContact O-CD 3.47Å; E591-R596 PolarHBondContact O-NH1 2.7Å; E591-R596 IonicContact OE2-NH1 3.64Å; W592-R596 HydrophobicContact CE3-CB 4.36Å; T593-R596 PolarHBondContact O-N 3.26Å; Q594-R596 VanDerWaalsContact C-N 3.3Å; Q594-R596 PolarHBondContact O-N 2.85Å; R596-Q599 PolarHBondContact O-N 2.83Å; R596-L600 WeakPolarHBondContact O-CB 3.33Å; R596-L600 PolarHBondContact O-N 3.11Å
597	I	94.8	Very high	93.7	Very high	10 Å²	10	54.9 Å²	54.9	5%	0.051	27%	0.27	C	S	.	.	H	α-helix	trans	-62.7	-48.9	173.1	-67.9	156.8	0	0	0	109.8	P427 F433 W592 T593 Q594 Q599 L600 Y601	P427-I597 HydrophobicContact CB-CD1 4.47Å; P427-I597 HydrophobicContact CB-CG1 3.83Å; P427-I597 HydrophobicContact CG-CG1 4.03Å; P427-I597 HydrophobicContact CG-CG2 4.42Å; F433-I597 HydrophobicContact CD2-CG2 4.21Å; F433-I597 HydrophobicContact CE2-CG2 3.9Å; W592-I597 HydrophobicContact CE3-CG1 4.23Å; T593-I597 WeakPolarHBondContact O-CG1 3.24Å; T593-I597 PolarHBondContact O-N 2.78Å; Q594-I597 WeakPolarHBondContact O-CB 2.85Å; Q594-I597 PolarHBondContact O-N 2.95Å; I597-Q599 VanDerWaalsContact C-N 3.3Å; I597-Q599 PolarHBondContact O-N 2.87Å; I597-L600 PolarHBondContact O-N 2.85Å; I597-Y601 WeakPolarHBondContact O-CB 2.87Å; I597-Y601 PolarHBondContact O-N 3.23Å
598	D	91.7	Very high	93.6	Very high	74 Å²	74	56.9 Å²	56.9	40%	0.396	28%	0.283	S	S	.	.	H	α-helix	trans	-61.9	-39.5	178.4	-63.6	-17.6	0	0	0	111.3	Q594 T602	Q594-D598 PolarHBondContact NE2-OD1 3.43Å; Q594-D598 PolarHBondContact O-N 2.81Å; D598-T602 WeakPolarHBondContact O-CB 3.4Å; D598-T602 PolarHBondContact O-N 3.28Å; D598-T602 PolarHBondContact O-OG1 2.54Å
599	Q	94.4	Very high	93.5	Very high	55 Å²	55	51 Å²	51	26%	0.257	26%	0.261	S	S	.	.	H	α-helix	trans	-65.5	-45.7	175.7	-173.9	-179	2.8	0	0	112.2	Y564 Y567 P595 R596 I597 Y601 T602 M603	Y564-Q599 HydrophobicContact CE2-CG 4.47Å; Y567-Q599 VanDerWaalsContact CE1-OE1 3.24Å; P595-Q599 WeakPolarHBondContact O-CB 3.14Å; P595-Q599 PolarHBondContact O-N 3.17Å; R596-Q599 PolarHBondContact O-N 2.83Å; I597-Q599 VanDerWaalsContact C-N 3.3Å; I597-Q599 PolarHBondContact O-N 2.87Å; Q599-Y601 VanDerWaalsContact C-N 3.33Å; Q599-Y601 PolarHBondContact O-N 2.84Å; Q599-T602 PolarHBondContact O-N 2.9Å; Q599-M603 WeakPolarHBondContact O-CB 3.34Å; Q599-M603 PolarHBondContact O-N 2.74Å
600	L	95.7	Very high	93.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.5	-46.6	176.5	-178.2	72	0	0	0	110.8	P427 F433 Y564 Y587 W592 R596 I597 T602 M603 Y604	P427-L600 HydrophobicContact CG-CD2 3.64Å; F433-L600 HydrophobicContact CZ-CD2 4.14Å; Y564-L600 HydrophobicContact CD1-CD1 4.44Å; Y564-L600 HydrophobicContact CE1-CD1 3.78Å; Y564-L600 HydrophobicContact CE2-CB 4.42Å; Y564-L600 HydrophobicContact CE2-CD1 4.07Å; Y587-L600 HydrophobicContact CE1-CD1 4.01Å; W592-L600 HydrophobicContact CH2-CD2 3.81Å; W592-L600 HydrophobicContact CZ3-CB 4.33Å; W592-L600 HydrophobicContact CZ3-CD2 3.9Å; R596-L600 WeakPolarHBondContact O-CB 3.33Å; R596-L600 PolarHBondContact O-N 3.11Å; I597-L600 PolarHBondContact O-N 2.85Å; L600-T602 PolarHBondContact O-N 3.47Å; L600-M603 HydrophobicContact CD1-CE 3.95Å; L600-M603 WeakPolarHBondContact O-CB 2.79Å; L600-M603 PolarHBondContact O-N 3.24Å; L600-Y604 HydrophobicContact CD1-CE1 4.06Å; L600-Y604 HydrophobicContact CD1-CE2 3.99Å; L600-Y604 HydrophobicContact CD2-CE2 3.77Å; L600-Y604 HydrophobicContact CG-CD2 4.14Å; L600-Y604 HydrophobicContact CG-CE2 3.56Å; L600-Y604 PolarHBondContact O-N 3.26Å
601	Y	91.3	Very high	93.3	Very high	28 Å²	28	48.9 Å²	48.9	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-60.2	-45.7	177.2	175.4	-114.4	0	0	0	111.8	P434 I597 Q599 M603 Y604 M605 L664 L665	P434-Y601 HydrophobicContact CB-CE2 4.48Å; P434-Y601 HydrophobicContact CG-CD2 4.02Å; P434-Y601 HydrophobicContact CG-CE2 3.44Å; P434-Y601 VanDerWaalsContact CG-CE2 3.44Å; I597-Y601 WeakPolarHBondContact O-CB 2.87Å; I597-Y601 PolarHBondContact O-N 3.23Å; Q599-Y601 VanDerWaalsContact C-N 3.33Å; Q599-Y601 PolarHBondContact O-N 2.84Å; Y601-M603 VanDerWaalsContact C-N 3.31Å; Y601-M603 PolarHBondContact O-N 3.35Å; Y601-Y604 PolarHBondContact O-N 3.04Å; Y601-M605 HydrophobicContact CD2-CG 4.13Å; Y601-M605 HydrophobicContact CE1-CG 4.21Å; Y601-M605 HydrophobicContact CE2-CG 3.58Å; Y601-M605 HydrophobicContact CE2-SD 4Å; Y601-M605 WeakPolarHBondContact O-CG 3.26Å; Y601-M605 PolarHBondContact O-N 3.38Å; Y601-M605 VanDerWaalsContact O-N 3.09Å; Y601-L664 HydrophobicContact CE1-CD1 4.4Å; Y601-L665 VanDerWaalsContact OH-CD1 3.32Å; Y601-L665 WeakPolarHBondContact OH-CD1 3.48Å
602	T	90.1	Very high	93.1	Very high	58 Å²	58	44.9 Å²	44.9	36%	0.356	23%	0.228	S	C	.	.	H	α-helix	trans	-59.5	-43.1	177.1	-58.7	0	0	0	0	111.4	D598 Q599 L600 M605 Q606	D598-T602 WeakPolarHBondContact O-CB 3.4Å; D598-T602 PolarHBondContact O-N 3.28Å; D598-T602 PolarHBondContact O-OG1 2.54Å; Q599-T602 PolarHBondContact O-N 2.9Å; L600-T602 PolarHBondContact O-N 3.47Å; T602-M605 PolarHBondContact O-N 3.39Å; T602-Q606 HydrophobicContact CG2-CG 4.31Å; T602-Q606 WeakPolarHBondContact O-CB 3.46Å; T602-Q606 PolarHBondContact O-N 3.39Å
603	M	93.1	Very high	93.1	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-59.7	-49.6	175.6	-177.8	-149.5	69.1	0	0	111.1	V556 T560 Y564 Q599 L600 Y601 M605 Q606 E607	V556-M603 HydrophobicContact CG2-CE 3.98Å; T560-M603 HydrophobicContact CG2-CG 3.55Å; T560-M603 HydrophobicContact CG2-SD 3.79Å; Y564-M603 WeakPolarHBondContact CB-SD 3.46Å; Y564-M603 HydrophobicContact CD1-SD 4.4Å; Y564-M603 HydrophobicContact CD2-SD 3.68Å; Y564-M603 HydrophobicContact CG-SD 3.6Å; Y564-M603 VanDerWaalsContact CG-SD 3.6Å; Q599-M603 WeakPolarHBondContact O-CB 3.34Å; Q599-M603 PolarHBondContact O-N 2.74Å; L600-M603 HydrophobicContact CD1-CE 3.95Å; L600-M603 WeakPolarHBondContact O-CB 2.79Å; L600-M603 PolarHBondContact O-N 3.24Å; Y601-M603 VanDerWaalsContact C-N 3.31Å; Y601-M603 PolarHBondContact O-N 3.35Å; M603-M605 PolarHBondContact O-N 2.99Å; M603-Q606 PolarHBondContact O-N 3.14Å; M603-E607 HydrophobicContact CB-CG 4.36Å; M603-E607 HydrophobicContact CG-CB 4.34Å; M603-E607 HydrophobicContact CG-CG 3.73Å; M603-E607 WeakPolarHBondContact O-CB 3.2Å; M603-E607 VanDerWaalsContact O-CG 3.3Å; M603-E607 WeakPolarHBondContact O-CG 3.18Å; M603-E607 PolarHBondContact O-N 2.99Å; M603-E607 VanDerWaalsContact O-N 3.09Å
604	Y	92.5	Very high	92.9	Very high	14 Å²	14	41.6 Å²	41.6	6%	0.055	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-29.6	177.9	-68.6	-31.2	0	0	0	113.9	M424 A425 F433 L435 V556 Y587 L600 Y601	M424-Y604 HydrophobicContact CE-CD1 3.21Å; M424-Y604 HydrophobicContact CE-CD2 3.88Å; M424-Y604 HydrophobicContact CE-CE1 3.62Å; M424-Y604 HydrophobicContact CE-CE2 4.22Å; M424-Y604 HydrophobicContact CE-CG 3.38Å; M424-Y604 HydrophobicContact SD-CD1 3.44Å; M424-Y604 WeakPolarHBondContact SD-CD1 3.43Å; M424-Y604 HydrophobicContact SD-CE1 3.39Å; M424-Y604 WeakPolarHBondContact SD-CE1 3.43Å; M424-Y604 HydrophobicContact SD-CG 4.24Å; A425-Y604 PolarHBondContact N-OH 3.16Å; A425-Y604 WeakPolarHBondContact O-CE2 3.35Å; A425-Y604 PolarHBondContact O-OH 3.05Å; F433-Y604 HydrophobicContact CE1-CD2 4.12Å; F433-Y604 AromaticContact CE1-CE2 3.95Å; F433-Y604 HydrophobicContact CE1-CE2 3.95Å; F433-Y604 HydrophobicContact CZ-CD2 4.19Å; F433-Y604 HydrophobicContact CZ-CE2 4.12Å; L435-Y604 HydrophobicContact CD2-CD2 3.65Å; L435-Y604 HydrophobicContact CD2-CE2 3.59Å; V556-Y604 HydrophobicContact CB-CD1 4.29Å; V556-Y604 HydrophobicContact CG1-CE1 4.37Å; Y587-Y604 PolarHBondContact OH-OH 2.65Å; Y587-Y604 VanDerWaalsContact OH-OH 3.11Å; L600-Y604 HydrophobicContact CD1-CE1 4.06Å; L600-Y604 HydrophobicContact CD1-CE2 3.99Å; L600-Y604 HydrophobicContact CD2-CE2 3.77Å; L600-Y604 HydrophobicContact CG-CD2 4.14Å; L600-Y604 HydrophobicContact CG-CE2 3.56Å; L600-Y604 PolarHBondContact O-N 3.26Å; Y601-Y604 PolarHBondContact O-N 3.04Å
605	M	85.7	Confident	92.8	Very high	45 Å²	45	39.9 Å²	39.9	22%	0.222	20%	0.201	C	C	.	.	H	α-helix	trans	-86.1	-34.4	-177	-73.1	-61	-58.6	0	0	114.1	Y601 T602 M603 L665	Y601-M605 HydrophobicContact CD2-CG 4.13Å; Y601-M605 HydrophobicContact CE1-CG 4.21Å; Y601-M605 HydrophobicContact CE2-CG 3.58Å; Y601-M605 HydrophobicContact CE2-SD 4Å; Y601-M605 WeakPolarHBondContact O-CG 3.26Å; Y601-M605 PolarHBondContact O-N 3.38Å; Y601-M605 VanDerWaalsContact O-N 3.09Å; T602-M605 PolarHBondContact O-N 3.39Å; M603-M605 PolarHBondContact O-N 2.99Å; M605-L665 HydrophobicContact CE-CD1 4.33Å
606	Q	86.5	Confident	92.2	Very high	150 Å²	150	36.5 Å²	36.5	70%	0.701	18%	0.179	S	C	*	.	H	α-helix	trans	-105.9	-23.3	-168.6	-63.8	-176.2	-3.5	0	0	113.7	T602 M603	T602-Q606 HydrophobicContact CG2-CG 4.31Å; T602-Q606 WeakPolarHBondContact O-CB 3.46Å; T602-Q606 PolarHBondContact O-N 3.39Å; M603-Q606 PolarHBondContact O-N 3.14Å
607	E	89.8	Confident	91.4	Very high	81 Å²	81	40 Å²	40	38%	0.379	20%	0.2	S	C	.	.	S	Bend	trans	-87.6	160.3	-170.8	-65.4	-70.3	149.6	0	0	113.1	T560 M603	T560-E607 HydrophobicContact CG2-CB 3.37Å; T560-E607 HydrophobicContact CG2-CG 3.56Å; M603-E607 HydrophobicContact CB-CG 4.36Å; M603-E607 HydrophobicContact CG-CB 4.34Å; M603-E607 HydrophobicContact CG-CG 3.73Å; M603-E607 WeakPolarHBondContact O-CB 3.2Å; M603-E607 VanDerWaalsContact O-CG 3.3Å; M603-E607 WeakPolarHBondContact O-CG 3.18Å; M603-E607 PolarHBondContact O-N 2.99Å; M603-E607 VanDerWaalsContact O-N 3.09Å
608	P	94.6	Very high	90.6	Very high	42 Å²	42	41.8 Å²	41.8	27%	0.273	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-58.2	152.9	177.3	-24.6	34.4	0	0	0	114.2	S557 V630	S557-P608 VanDerWaalsContact CB-O 3.26Å; S557-P608 WeakPolarHBondContact CB-O 3.22Å; S557-P608 PolarHBondContact N-O 3.22Å; S557-P608 PolarHBondContact OG-O 2.88Å; P608-V630 WeakPolarHBondContact CA-O 3.31Å
609	L	95.2	Very high	90.4	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.026	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	150.3	-176	-55.8	174.5	0	0	0	112	Y438 V440 S555 M611 G629 V630 A632	Y438-L609 HydrophobicContact CD2-CD1 3.68Å; Y438-L609 HydrophobicContact CD2-CD2 4.22Å; Y438-L609 HydrophobicContact CE2-CD1 4.46Å; Y438-L609 HydrophobicContact CG-CD1 3.82Å; V440-L609 HydrophobicContact CG1-CD1 4.26Å; S555-L609 CarbonylContact O-C 3.33Å; S555-L609 WeakPolarHBondContact O-CA 3.45Å; S555-L609 WeakPolarHBondContact O-CB 3.29Å; L609-M611 HydrophobicContact CB-CG 4.45Å; L609-M611 HydrophobicContact CD1-SD 4.39Å; L609-G629 PolarHBondContact O-N 3.14Å; L609-V630 WeakPolarHBondContact CB-O 3.34Å; L609-V630 PolarHBondContact N-O 3.26Å; L609-V630 PolarHBondContact O-N 3.49Å; L609-A632 HydrophobicContact CD1-CB 4.02Å; L609-A632 HydrophobicContact CG-CB 4.29Å
610	S	95.8	Very high	90.1	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.028	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.4	153.9	-160.9	0	0	0	0	107.6	K423 S554 S555 E628	K423-S610 PolarHBondContact NZ-OG 2.79Å; S554-S610 CarbonylContact C-O 3.5Å; S554-S610 WeakPolarHBondContact CA-O 3.45Å; S554-S610 WeakPolarHBondContact CB-O 3.18Å; S555-S610 PolarHBondContact N-O 3.12Å; S555-S610 PolarHBondContact O-N 2.97Å; S555-S610 WeakPolarHBondContact OG-CB 3.42Å; S610-E628 WeakPolarHBondContact CB-OE2 3.2Å; S610-E628 PolarHBondContact OG-OE2 3.04Å
611	M	95.1	Very high	89.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.4	-176	-79.6	-64.6	-41.7	0	0	111.6	Y438 V440 K553 S554 L609 W627 V630	Y438-M611 VanDerWaalsContact O-CE 3.23Å; Y438-M611 WeakPolarHBondContact O-CE 3.4Å; Y438-M611 VanDerWaalsContact O-SD 3.36Å; V440-M611 HydrophobicContact CB-SD 4.43Å; V440-M611 HydrophobicContact CG1-SD 3.75Å; V440-M611 HydrophobicContact CG2-CE 3.96Å; V440-M611 HydrophobicContact CG2-CG 4.17Å; V440-M611 HydrophobicContact CG2-SD 3.95Å; K553-M611 WeakPolarHBondContact O-CE 3.5Å; S554-M611 WeakPolarHBondContact CB-SD 3.3Å; L609-M611 HydrophobicContact CB-CG 4.45Å; L609-M611 HydrophobicContact CD1-SD 4.39Å; M611-W627 HydrophobicContact CB-CB 4.22Å; M611-W627 HydrophobicContact CB-CE3 3.76Å; M611-W627 WeakPolarHBondContact CB-O 3.49Å; M611-W627 HydrophobicContact CG-CE3 4.42Å; M611-W627 PolarHBondContact N-O 3.18Å; M611-W627 WeakPolarHBondContact O-CB 3.33Å; M611-V630 HydrophobicContact CB-CG2 4.2Å; M611-V630 HydrophobicContact CG-CB 3.86Å; M611-V630 HydrophobicContact CG-CG1 3.96Å; M611-V630 HydrophobicContact CG-CG2 3.88Å
612	Q	94	Very high	89.4	Confident	47 Å²	47	53.1 Å²	53.1	22%	0.22	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	103.1	162.9	-61.9	-169.4	16.1	0	0	108.6	E419 V551 C552 K553	E419-Q612 HydrophobicContact CG-CG 3.95Å; E419-Q612 VanDerWaalsContact CG-NE2 3.33Å; E419-Q612 VanDerWaalsContact OE1-CG 3.3Å; E419-Q612 WeakPolarHBondContact OE1-CG 3.45Å; E419-Q612 PolarHBondContact OE1-NE2 3.13Å; E419-Q612 PolarHBondContact OE2-NE2 2.72Å; E419-Q612 VanDerWaalsContact OE2-NE2 3.14Å; V551-Q612 CarbonylContact C-O 3.6Å; V551-Q612 HydrophobicContact CG1-CB 3.86Å; C552-Q612 CarbonylContact C-O 3.56Å; C552-Q612 VanDerWaalsContact CA-O 3.26Å; C552-Q612 WeakPolarHBondContact CA-O 3.31Å; K553-Q612 HydrophobicContact CB-CB 4.44Å; K553-Q612 PolarHBondContact N-O 3.44Å; K553-Q612 PolarHBondContact O-N 3.39Å
613	C	95	Very high	88.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	74.1	171.3	-172.3	0	0	0	0	107.6	C443 V551 R620 F621 W627	C443-C613 WeakPolarHBondContact CA-SG 3.47Å; C443-C613 HydrophobicContact CB-CB 3.81Å; C443-C613 WeakPolarHBondContact CB-SG 3.25Å; C443-C613 WeakPolarHBondContact SG-CB 3.41Å; C443-C613 CovalentContact SG-SG 2.03Å; C443-C613 PolarHBondContact SG-SG 2.82Å; V551-C613 WeakPolarHBondContact O-CA 3.41Å; C613-R620 WeakPolarHBondContact O-CA 3.35Å; C613-F621 PolarHBondContact O-N 3.21Å; C613-W627 HydrophobicContact CB-CD2 4Å; C613-W627 HydrophobicContact CB-CE3 3.97Å; C613-W627 HydrophobicContact CB-CH2 3.78Å; C613-W627 HydrophobicContact CB-CZ2 3.78Å; C613-W627 HydrophobicContact CB-CZ3 3.86Å
614	N	93.2	Very high	87.9	Confident	22 Å²	22	56.9 Å²	56.9	12%	0.118	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	146.4	-165.6	-52.8	-18.6	0	0	0	112.2	E550 V551 T619 R620	E550-N614 PolarHBondContact N-O 2.96Å; E550-N614 VanDerWaalsContact N-O 3.09Å; V551-N614 HydrophobicContact CB-CB 4.08Å; V551-N614 PolarHBondContact N-O 3.02Å; V551-N614 PolarHBondContact O-N 3.44Å; N614-T619 CarbonylContact C-O 3.52Å; N614-T619 WeakPolarHBondContact CA-O 3.16Å; N614-R620 VanDerWaalsContact OD1-CG 3.28Å; N614-R620 WeakPolarHBondContact OD1-CG 3.46Å
615	R	90.5	Very high	87.3	Confident	71 Å²	71	62.5 Å²	62.5	27%	0.268	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	167.3	168.5	-64.5	174.8	179.2	-169.4	5.7	110.9	K548 D617 G618 T619 F621	K548-R615 HydrophobicContact CB-CG 4.28Å; K548-R615 WeakPolarHBondContact O-CA 3.49Å; R615-D617 VanDerWaalsContact CB-OD1 3.29Å; R615-D617 WeakPolarHBondContact CB-OD1 3.22Å; R615-D617 PolarHBondContact O-N 3.01Å; R615-G618 WeakPolarHBondContact O-CA 3.23Å; R615-G618 PolarHBondContact O-N 2.86Å; R615-T619 WeakPolarHBondContact CB-O 3.17Å; R615-T619 PolarHBondContact N-O 3.03Å; R615-F621 HydrophobicContact CB-CE2 4.33Å; R615-F621 HydrophobicContact CG-CD2 3.7Å; R615-F621 HydrophobicContact CG-CE1 4.26Å; R615-F621 HydrophobicContact CG-CE2 3.3Å; R615-F621 HydrophobicContact CG-CG 4.34Å; R615-F621 HydrophobicContact CG-CZ 3.63Å
616	S	81.2	Confident	87.5	Confident	18 Å²	18	62.8 Å²	62.8	13%	0.126	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-26.1	177.3	-60.5	0	0	0	0	115.2	E320 S345 K548 E550 G618	E320-S616 VanDerWaalsContact OE2-C 3.31Å; E320-S616 WeakPolarHBondContact OE2-CB 3.31Å; S345-S616 PolarHBondContact OG-O 3.36Å; K548-S616 PolarHBondContact O-N 2.95Å; E550-S616 WeakPolarHBondContact OE2-CA 3.29Å; E550-S616 WeakPolarHBondContact OE2-CB 3.35Å; E550-S616 PolarHBondContact OE2-OG 3.25Å; S616-G618 PolarHBondContact O-N 3.48Å
617	D	79.1	Confident	87.8	Confident	100 Å²	100	56.3 Å²	56.3	54%	0.535	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	4.4	173.1	64	10.4	0	0	0	113.8	R615 T619	R615-D617 VanDerWaalsContact CB-OD1 3.29Å; R615-D617 WeakPolarHBondContact CB-OD1 3.22Å; R615-D617 PolarHBondContact O-N 3.01Å; D617-T619 VanDerWaalsContact C-N 3.27Å; D617-T619 PolarHBondContact O-N 2.96Å; D617-T619 VanDerWaalsContact OD1-CB 3.27Å; D617-T619 WeakPolarHBondContact OD1-CB 3.48Å; D617-T619 WeakPolarHBondContact OD1-CG2 3.44Å; D617-T619 PolarHBondContact OD1-N 2.82Å; D617-T619 PolarHBondContact OD1-OG1 3.45Å; D617-T619 PolarHBondContact OD2-OG1 3.01Å
618	G	79	Confident	88	Confident	48 Å²	48	55.6 Å²	55.6	50%	0.495	31%	0.311	S	S	.	.	S	Bend	trans	79.8	-2.5	-177.2	0	0	0	0	0	114.9	R615 S616	R615-G618 WeakPolarHBondContact O-CA 3.23Å; R615-G618 PolarHBondContact O-N 2.86Å; S616-G618 PolarHBondContact O-N 3.48Å
619	T	86.2	Confident	87.9	Confident	68 Å²	68	55.8 Å²	55.8	42%	0.417	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-80.8	148.3	178.2	68.1	0	0	0	0	111.9	N614 R615 D617	N614-T619 CarbonylContact C-O 3.52Å; N614-T619 WeakPolarHBondContact CA-O 3.16Å; R615-T619 WeakPolarHBondContact CB-O 3.17Å; R615-T619 PolarHBondContact N-O 3.03Å; D617-T619 VanDerWaalsContact C-N 3.27Å; D617-T619 PolarHBondContact O-N 2.96Å; D617-T619 VanDerWaalsContact OD1-CB 3.27Å; D617-T619 WeakPolarHBondContact OD1-CB 3.48Å; D617-T619 WeakPolarHBondContact OD1-CG2 3.44Å; D617-T619 PolarHBondContact OD1-N 2.82Å; D617-T619 PolarHBondContact OD1-OG1 3.45Å; D617-T619 PolarHBondContact OD2-OG1 3.01Å
620	R	89.1	Confident	87.7	Confident	135 Å²	135	55.8 Å²	55.8	51%	0.509	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-79.9	148.3	178.3	-73	178.8	177.3	146.6	-7.9	111.6	C613 N614	C613-R620 WeakPolarHBondContact O-CA 3.35Å; N614-R620 VanDerWaalsContact OD1-CG 3.28Å; N614-R620 WeakPolarHBondContact OD1-CG 3.46Å
621	F	89.7	Confident	87.4	Confident	16 Å²	16	59 Å²	59	7%	0.07	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-65.8	139	170.4	-80.5	-98.5	0	0	0	111.8	A446 A447 K548 L549 C613 R615 W627	A446-F621 HydrophobicContact CB-CB 4.36Å; A447-F621 HydrophobicContact CB-CD1 3.93Å; A447-F621 HydrophobicContact CB-CD2 4.23Å; A447-F621 HydrophobicContact CB-CE1 3.65Å; A447-F621 HydrophobicContact CB-CE2 3.97Å; A447-F621 HydrophobicContact CB-CG 4.21Å; A447-F621 HydrophobicContact CB-CZ 3.65Å; K548-F621 HydrophobicContact CB-CE1 4.5Å; K548-F621 HydrophobicContact CB-CZ 3.84Å; L549-F621 HydrophobicContact CB-CE2 3.86Å; L549-F621 HydrophobicContact CB-CZ 4Å; L549-F621 HydrophobicContact CD1-CD2 4.23Å; L549-F621 HydrophobicContact CD1-CE2 3.85Å; L549-F621 HydrophobicContact CG-CE2 4.48Å; C613-F621 PolarHBondContact O-N 3.21Å; R615-F621 HydrophobicContact CB-CE2 4.33Å; R615-F621 HydrophobicContact CG-CD2 3.7Å; R615-F621 HydrophobicContact CG-CE1 4.26Å; R615-F621 HydrophobicContact CG-CE2 3.3Å; R615-F621 HydrophobicContact CG-CG 4.34Å; R615-F621 HydrophobicContact CG-CZ 3.63Å; F621-W627 HydrophobicContact CB-CZ2 4.47Å; F621-W627 PolarHBondContact O-NE1 2.82Å
622	E	81.7	Confident	86.7	Confident	175 Å²	175	60.2 Å²	60.2	82%	0.818	36%	0.358	S	S	*	.	S	Bend	trans	-74.1	122.4	167.2	-63.8	176.3	-172.3	0	0	108.5
623	G	70.4	Confident	85.9	Confident	63 Å²	63	59.1 Å²	59.1	65%	0.649	35%	0.354	S	S	*	.	S	Bend	trans	-179.9	-21.7	-175.5	0	0	0	0	0	113.3
624	R	82.1	Confident	84.7	Confident	91 Å²	91	64.6 Å²	64.6	34%	0.343	39%	0.39	S	S	.	.	S	Bend	trans	-145.1	159.3	171.1	-174.5	179.9	-85.3	150.4	-16.2	109.9	D442 S626	D442-R624 IonicContact OD2-CZ 2.71Å; D442-R624 IonicContact OD2-NE 2.83Å; D442-R624 IonicContact OD2-NH1 3.89Å; D442-R624 IonicContact OD2-NH2 3.9Å; D442-R624 PolarHBondContact OD2-NH2 2.79Å; R624-S626 VanDerWaalsContact C-N 3.33Å; R624-S626 WeakPolarHBondContact CD-O 3.37Å; R624-S626 VanDerWaalsContact CG-O 3.27Å; R624-S626 WeakPolarHBondContact CG-O 3.36Å
625	S	80	Confident	83.7	Confident	131 Å²	131	65 Å²	65	92%	0.916	39%	0.393	S	S	*	.	S	Bend	trans	-63.5	-33.4	172.2	51.7	0	0	0	0	114
626	S	89.3	Confident	82.6	Confident	52 Å²	52	67.6 Å²	67.6	36%	0.364	41%	0.408	S	S	.	.			trans	-144.4	136.9	-179.3	178.1	0	0	0	0	110.9	R624 E628	R624-S626 VanDerWaalsContact C-N 3.33Å; R624-S626 WeakPolarHBondContact CD-O 3.37Å; R624-S626 VanDerWaalsContact CG-O 3.27Å; R624-S626 WeakPolarHBondContact CG-O 3.36Å; S626-E628 VanDerWaalsContact C-N 3.31Å; S626-E628 WeakPolarHBondContact OG-CB 3.41Å; S626-E628 PolarHBondContact OG-N 3Å; S626-E628 PolarHBondContact OG-O 3.27Å
627	W	92.6	Very high	81.8	Confident	13 Å²	13	68.7 Å²	68.7	5%	0.049	41%	0.412	C	S	.	.	S	Bend	trans	-93.6	6.9	168	-67.7	100.3	0	0	0	112.5	V440 C443 M611 C613 F621 V630	V440-W627 HydrophobicContact CG2-CZ3 4.43Å; C443-W627 HydrophobicContact CB-CH2 3.99Å; C443-W627 HydrophobicContact CB-CZ3 4.04Å; M611-W627 HydrophobicContact CB-CB 4.22Å; M611-W627 HydrophobicContact CB-CE3 3.76Å; M611-W627 WeakPolarHBondContact CB-O 3.49Å; M611-W627 HydrophobicContact CG-CE3 4.42Å; M611-W627 PolarHBondContact N-O 3.18Å; M611-W627 WeakPolarHBondContact O-CB 3.33Å; C613-W627 HydrophobicContact CB-CD2 4Å; C613-W627 HydrophobicContact CB-CE3 3.97Å; C613-W627 HydrophobicContact CB-CH2 3.78Å; C613-W627 HydrophobicContact CB-CZ2 3.78Å; C613-W627 HydrophobicContact CB-CZ3 3.86Å; F621-W627 HydrophobicContact CB-CZ2 4.47Å; F621-W627 PolarHBondContact O-NE1 2.82Å; W627-V630 WeakPolarHBondContact O-CG2 3.5Å
628	E	94.2	Very high	81.1	Confident	67 Å²	67	72.1 Å²	72.1	31%	0.313	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	141.5	168.8	-168.6	60.3	-150.3	0	0	110	S557 E558 S610 S626	S557-E628 WeakPolarHBondContact CA-OE1 3.24Å; S557-E628 WeakPolarHBondContact CB-OE1 3.47Å; E558-E628 PolarHBondContact N-OE1 2.99Å; S610-E628 WeakPolarHBondContact CB-OE2 3.2Å; S610-E628 PolarHBondContact OG-OE2 3.04Å; S626-E628 VanDerWaalsContact C-N 3.31Å; S626-E628 WeakPolarHBondContact OG-CB 3.41Å; S626-E628 PolarHBondContact OG-N 3Å; S626-E628 PolarHBondContact OG-O 3.27Å
629	G	92.6	Very high	80	Confident	46 Å²	46	74.4 Å²	74.4	47%	0.474	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	76.6	28.4	179.7	0	0	0	0	0	113.6	L609	L609-G629 PolarHBondContact O-N 3.14Å
630	V	92.1	Very high	78.5	Confident	4 Å²	4	73.7 Å²	73.7	2%	0.024	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.4	-178.1	176.6	0	0	0	0	110.2	V440 P608 L609 M611 W627 A632	V440-V630 HydrophobicContact CG1-CG1 4.35Å; V440-V630 HydrophobicContact CG2-CG1 4.22Å; P608-V630 WeakPolarHBondContact CA-O 3.31Å; L609-V630 WeakPolarHBondContact CB-O 3.34Å; L609-V630 PolarHBondContact N-O 3.26Å; L609-V630 PolarHBondContact O-N 3.49Å; M611-V630 HydrophobicContact CB-CG2 4.2Å; M611-V630 HydrophobicContact CG-CB 3.86Å; M611-V630 HydrophobicContact CG-CG1 3.96Å; M611-V630 HydrophobicContact CG-CG2 3.88Å; W627-V630 WeakPolarHBondContact O-CG2 3.5Å; V630-A632 PolarHBondContact O-N 3.28Å
631	A	89.2	Confident	76.7	Confident	73 Å²	73	72.6 Å²	72.6	60%	0.603	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-57.1	133.9	172.6	0	0	0	0	0	111.1
632	A	80.7	Confident	75	Confident	24 Å²	24	77.2 Å²	77.2	20%	0.198	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-57.5	146.3	170.1	0	0	0	0	0	109.8	L609 V630 P634	L609-A632 HydrophobicContact CD1-CB 4.02Å; L609-A632 HydrophobicContact CG-CB 4.29Å; V630-A632 PolarHBondContact O-N 3.28Å; A632-P634 WeakPolarHBondContact O-CD 3.36Å
633	T	75.2	Confident	73.3	Confident	25 Å²	25	78.7 Å²	78.7	15%	0.153	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-65	123.1	176.6	-58	0	0	0	0	107.9	A510 V635	A510-T633 HydrophobicContact CB-CG2 3.92Å; T633-V635 VanDerWaalsContact C-N 3.34Å; T633-V635 HydrophobicContact CG2-CG1 3.93Å; T633-V635 PolarHBondContact O-N 3.04Å
634	P	71.9	Confident	72.4	Confident	114 Å²	114	85.3 Å²	85.3	74%	0.74	45%	0.447	S	S	*	.			trans	-70	94.2	-179.9	28.2	-33.2	0	0	0	108.7	A632	A632-P634 WeakPolarHBondContact O-CD 3.36Å
635	V	70.3	Confident	71.4	Confident	30 Å²	30	85.6 Å²	85.6	18%	0.182	46%	0.455	C	S	.	.			trans	-102.2	127.8	180	-67.1	0	0	0	0	109.5	F474 T633 I637	F474-V635 HydrophobicContact CB-CG1 4.21Å; F474-V635 HydrophobicContact CD1-CB 3.99Å; F474-V635 HydrophobicContact CD1-CG1 3.69Å; F474-V635 HydrophobicContact CD2-CB 4.4Å; F474-V635 HydrophobicContact CD2-CG1 3.63Å; F474-V635 HydrophobicContact CE1-CB 3.69Å; F474-V635 HydrophobicContact CE1-CG1 3.87Å; F474-V635 HydrophobicContact CE2-CB 4.12Å; F474-V635 HydrophobicContact CE2-CG1 3.79Å; F474-V635 HydrophobicContact CE2-CG2 4.38Å; F474-V635 HydrophobicContact CG-CB 4.33Å; F474-V635 HydrophobicContact CG-CG1 3.57Å; F474-V635 HydrophobicContact CZ-CB 3.76Å; F474-V635 HydrophobicContact CZ-CG1 3.92Å; F474-V635 HydrophobicContact CZ-CG2 4.14Å; T633-V635 VanDerWaalsContact C-N 3.34Å; T633-V635 HydrophobicContact CG2-CG1 3.93Å; T633-V635 PolarHBondContact O-N 3.04Å; V635-I637 HydrophobicContact CG2-CG1 4.34Å; V635-I637 PolarHBondContact O-N 3.28Å
636	Q	68	Low	70.9	Confident	126 Å²	126	80.8 Å²	80.8	59%	0.589	42%	0.421	S	S	*	.			trans	-84.6	102.8	165.6	-73.3	-171.6	-1.7	0	0	108.2	R638	Q636-R638 PolarHBondContact O-N 2.97Å
637	I	65.5	Low	69.9	Low	41 Å²	41	84.1 Å²	84.1	21%	0.21	44%	0.442	C	S	.	.			trans	-69.4	116	173.4	-61.2	173.8	0	0	0	107.4	V635 L665	V635-I637 HydrophobicContact CG2-CG1 4.34Å; V635-I637 PolarHBondContact O-N 3.28Å; I637-L665 HydrophobicContact CD1-CD1 3.59Å; I637-L665 HydrophobicContact CD1-CD2 4.03Å; I637-L665 HydrophobicContact CD1-CG 4.3Å
638	R	63.2	Low	68.5	Low	172 Å²	172	90.7 Å²	90.7	65%	0.649	48%	0.478	S	S	*	.			trans	-86.5	117.1	173.4	-68.8	-175	178.1	-168.3	0.5	107.6	E479 Q636 P640	E479-R638 PolarHBondContact OE2-N 3.19Å; Q636-R638 PolarHBondContact O-N 2.97Å; R638-P640 VanDerWaalsContact O-CD 3.28Å; R638-P640 WeakPolarHBondContact O-CD 3.47Å
639	I	56.9	Low	66.9	Low	97 Å²	97	93.2 Å²	93.2	50%	0.497	49%	0.486	S	S	.	.			trans	-52.9	120.1	165.5	-59.9	172.3	0	0	0	106.5	I641 L665	I639-I641 VanDerWaalsContact C-N 3.28Å; I639-I641 PolarHBondContact O-N 2.97Å; I639-L665 VanDerWaalsContact CG1-O 3.25Å; I639-L665 WeakPolarHBondContact CG1-O 3.44Å
640	P	54.4	Low	65.3	Low	52 Å²	52	94.7 Å²	94.7	34%	0.338	48%	0.483	S	S	.	.			trans	-63.1	97	174.4	3.5	1.8	0	0	0	107.5	R638 H642	R638-P640 VanDerWaalsContact O-CD 3.28Å; R638-P640 WeakPolarHBondContact O-CD 3.47Å; P640-H642 PolarHBondContact O-CD2 2.84Å; P640-H642 VanDerWaalsContact O-CD2 3.31Å; P640-H642 PolarHBondContact O-N 2.84Å
641	I	51.4	Low	63.8	Low	112 Å²	112	98.4 Å²	98.4	57%	0.574	51%	0.507	S	S	*	.			trans	-72.6	104.5	168	-44.4	178.1	0	0	0	104.7	I639 R643	I639-I641 VanDerWaalsContact C-N 3.28Å; I639-I641 PolarHBondContact O-N 2.97Å; I641-R643 HydrophobicContact CB-CB 4.24Å; I641-R643 HydrophobicContact CB-CG 4.48Å; I641-R643 HydrophobicContact CG2-CB 3.71Å; I641-R643 VanDerWaalsContact CG2-CD 3.45Å; I641-R643 HydrophobicContact CG2-CG 3.47Å; I641-R643 VanDerWaalsContact CG2-CG 3.47Å; I641-R643 PolarHBondContact O-N 3.23Å
642	H	53.5	Low	62.3	Low	113 Å²	113	102.3 Å²	102.3	52%	0.523	52%	0.517	S	S	.	.			trans	-64.1	62.5	172.3	-66.9	-91.8	0	0	0	110.1	R207 P640	R207-H642 PolarHBondContact NH1-CE1 3.39Å; R207-H642 PolarHBondContact NH1-ND1 3.35Å; P640-H642 PolarHBondContact O-CD2 2.84Å; P640-H642 VanDerWaalsContact O-CD2 3.31Å; P640-H642 PolarHBondContact O-N 2.84Å
643	R	46.7	Very low	61.3	Low	206 Å²	206	111 Å²	111	78%	0.777	54%	0.544	S	S	*	.			trans	-107.2	-0	-165	-117.9	-176.7	-157.3	-175.6	3.4	114.4	I641	I641-R643 HydrophobicContact CB-CB 4.24Å; I641-R643 HydrophobicContact CB-CG 4.48Å; I641-R643 HydrophobicContact CG2-CB 3.71Å; I641-R643 VanDerWaalsContact CG2-CD 3.45Å; I641-R643 HydrophobicContact CG2-CG 3.47Å; I641-R643 VanDerWaalsContact CG2-CG 3.47Å; I641-R643 PolarHBondContact O-N 3.23Å
644	K	50.3	Low	60.8	Low	202 Å²	202	113.3 Å²	113.3	88%	0.878	56%	0.556	S	S	*	*	S	Bend	trans	-117.7	-5.6	-163.7	-86.3	-168.5	177.3	-176.4	0	118.6
645	L	61.6	Low	60.8	Low	97 Å²	97	116.1 Å²	116.1	51%	0.508	56%	0.556	S	S	.	*	S	Bend	trans	-114.5	-20.9	-176.1	-70.1	163.6	0	0	0	115	P647	L645-P647 WeakPolarHBondContact O-CD 3.28Å
646	C	70.6	Confident	60.9	Low	30 Å²	30	117.1 Å²	117.1	20%	0.203	56%	0.563	C	S	.	*			trans	-108.6	98.2	-176.8	-59	0	0	0	0	111.4	C201 N648 Y649	C201-C646 WeakPolarHBondContact CA-SG 3.23Å; C201-C646 HydrophobicContact CB-CB 3.63Å; C201-C646 WeakPolarHBondContact CB-SG 3.48Å; C201-C646 WeakPolarHBondContact SG-CA 3.47Å; C201-C646 WeakPolarHBondContact SG-CB 3.42Å; C201-C646 CovalentContact SG-SG 2.04Å; C201-C646 PolarHBondContact SG-SG 3.31Å; C646-N648 PolarHBondContact O-N 2.84Å; C646-N648 VanDerWaalsContact O-N 3.16Å; C646-Y649 PolarHBondContact O-N 3.08Å
647	P	67.4	Low	61	Low	123 Å²	123	111.3 Å²	111.3	80%	0.799	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.7	-178.2	21.6	-30.8	0	0	0	113.4	L645	L645-P647 WeakPolarHBondContact O-CD 3.28Å
648	N	62.8	Low	61.1	Low	151 Å²	151	111.9 Å²	111.9	81%	0.807	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	15.9	-175.8	-67.6	-17.5	0	0	0	113.9	C646 N650	C646-N648 PolarHBondContact O-N 2.84Å; C646-N648 VanDerWaalsContact O-N 3.16Å; N648-N650 PolarHBondContact O-N 3.24Å
649	Y	59.8	Low	61.3	Low	120 Å²	120	110.5 Å²	110.5	47%	0.471	54%	0.537	S	S	.	.			trans	-61	112.4	-179.5	-178.4	-104	0	0	0	111.1	C646 P651	C646-Y649 PolarHBondContact O-N 3.08Å; Y649-P651 HydrophobicContact CE1-CB 3.77Å; Y649-P651 HydrophobicContact CE1-CG 4.04Å
650	N	60.9	Low	61.7	Low	77 Å²	77	106.7 Å²	106.7	41%	0.412	52%	0.521	S	S	.	.			trans	-117.3	98.8	176.5	-162.9	-22.7	0	0	0	110.5	N648 L652 W653	N648-N650 PolarHBondContact O-N 3.24Å; N650-L652 PolarHBondContact O-N 3.35Å; N650-L652 WeakPolarHBondContact OD1-CB 3.38Å; N650-L652 PolarHBondContact OD1-N 3.39Å; N650-W653 VanDerWaalsContact ND2-CD1 3.28Å; N650-W653 PolarHBondContact ND2-NE1 2.76Å; N650-W653 VanDerWaalsContact OD1-CD1 3.29Å
651	P	58.8	Low	62.3	Low	82 Å²	82	109 Å²	109	53%	0.532	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-4.2	-175.6	27.4	-34	0	0	0	114.1	Y649	Y649-P651 HydrophobicContact CE1-CB 3.77Å; Y649-P651 HydrophobicContact CE1-CG 4.04Å
652	L	58.5	Low	62.9	Low	155 Å²	155	107.1 Å²	107.1	81%	0.812	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-12.9	-174.6	-66.7	169.2	0	0	0	114.4	N650	N650-L652 PolarHBondContact O-N 3.35Å; N650-L652 WeakPolarHBondContact OD1-CB 3.38Å; N650-L652 PolarHBondContact OD1-N 3.39Å
653	W	60.3	Low	63.4	Low	205 Å²	205	103.2 Å²	103.2	78%	0.777	51%	0.51	S	S	*	.	S	Bend	trans	-102.5	-28.3	-164.4	-66	60.1	0	0	0	112.9	N650	N650-W653 VanDerWaalsContact ND2-CD1 3.28Å; N650-W653 PolarHBondContact ND2-NE1 2.76Å; N650-W653 VanDerWaalsContact OD1-CD1 3.29Å
654	L	65.1	Low	63.7	Low	75 Å²	75	100.7 Å²	100.7	39%	0.393	51%	0.511	S	S	.	.	S	Bend	trans	-147.4	152.8	-176	-69.6	164.4	0	0	0	110.9	P203 L204	P203-L654 HydrophobicContact CG-CB 3.89Å; P203-L654 HydrophobicContact CG-CD1 4.16Å; L204-L654 HydrophobicContact CD1-CD1 3.71Å; L204-L654 HydrophobicContact CD1-CD2 4.32Å; L204-L654 HydrophobicContact CD2-CB 4.5Å; L204-L654 HydrophobicContact CD2-CD2 4.47Å; L204-L654 HydrophobicContact CG-CD1 4.02Å
655	K	70.1	Confident	64	Low	173 Å²	173	93.1 Å²	93.1	75%	0.752	48%	0.48	S	S	*	.			trans	-82.8	126.4	172.3	-74.6	-177.6	-178.6	174	0	108.6
656	P	72.3	Confident	63.9	Low	50 Å²	50	89.7 Å²	89.7	33%	0.325	47%	0.467	S	S	.	.			trans	-62.7	143.5	175.8	-22.7	33.5	0	0	0	112.3	P203 E658	P203-P656 HydrophobicContact CB-CB 4.3Å; P203-P656 HydrophobicContact CB-CG 4.26Å; P203-P656 CarbonylContact O-C 3.44Å; P203-P656 WeakPolarHBondContact O-CA 3.45Å; P656-E658 VanDerWaalsContact C-N 3.26Å; P656-E658 PolarHBondContact O-N 2.92Å
657	L	71.9	Confident	63.8	Low	5 Å²	5	88.5 Å²	88.5	3%	0.026	46%	0.459	C	S	.	.	S	Bend	trans	-60.6	-41.6	167.4	-64.4	-169.1	0	0	0	109.7	K140 D146 D148 P203 L204 K659	K140-L657 WeakPolarHBondContact CE-O 3.18Å; K140-L657 PolarHBondContact NZ-O 3.1Å; D146-L657 HydrophobicContact CB-CD2 3.76Å; D146-L657 WeakPolarHBondContact O-CD1 3.24Å; D148-L657 HydrophobicContact CB-CD1 3.79Å; P203-L657 PolarHBondContact O-N 2.99Å; L204-L657 WeakPolarHBondContact O-CD1 3.35Å; L204-L657 VanDerWaalsContact O-CG 3.24Å; L204-L657 WeakPolarHBondContact O-CG 3.47Å; L657-K659 PolarHBondContact O-N 3.19Å
658	E	66.6	Low	63.8	Low	52 Å²	52	83.4 Å²	83.4	24%	0.243	43%	0.426	C	S	.	.			trans	-72.9	61.7	173.1	-66.7	-172.6	175.5	0	0	113.4	L206 R207 P656 Y670	L206-E658 HydrophobicContact CD1-CG 3.68Å; R207-E658 WeakPolarHBondContact CA-OE1 3.03Å; R207-E658 WeakPolarHBondContact CB-OE1 3.21Å; R207-E658 PolarHBondContact N-OE1 2.97Å; P656-E658 VanDerWaalsContact C-N 3.26Å; P656-E658 PolarHBondContact O-N 2.92Å; E658-Y670 HydrophobicContact CB-CD1 4.05Å; E658-Y670 HydrophobicContact CB-CE1 3.99Å; E658-Y670 WeakPolarHBondContact O-CE1 3.22Å
659	K	67.2	Low	63.8	Low	144 Å²	144	77 Å²	77	63%	0.626	39%	0.391	S	S	*	.			trans	-94.6	131.7	165	-168.9	-176.6	176.5	-163	0	110.4	K140 L657	K140-K659 PolarHBondContact NZ-O 3.04Å; L657-K659 PolarHBondContact O-N 3.19Å
660	G	65.6	Low	64.2	Low	16 Å²	16	73.7 Å²	73.7	17%	0.165	38%	0.379	C	S	.	.			trans	-133.4	165.5	172.8	0	0	0	0	0	113.6	I669	G660-I669 CarbonylContact C-O 3.37Å; G660-I669 WeakPolarHBondContact CA-O 3.44Å
661	D	67.4	Low	64.4	Low	100 Å²	100	73.6 Å²	73.6	54%	0.535	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	113.2	168.5	-74.5	-23.2	0	0	0	108.1	C668 I669	D661-C668 WeakPolarHBondContact O-CA 3.48Å; D661-I669 PolarHBondContact N-O 3.38Å; D661-I669 PolarHBondContact O-N 2.5Å
662	C	64.4	Low	64.7	Low	74 Å²	74	73.1 Å²	73.1	50%	0.5	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	137.9	-173.6	-39.5	0	0	0	0	112.2	E667 C668	C662-E667 CarbonylContact C-O 3.56Å; C662-E667 VanDerWaalsContact CA-O 3.27Å; C662-E667 WeakPolarHBondContact CA-O 3.37Å; C662-C668 HydrophobicContact CB-CB 3.96Å; C662-C668 WeakPolarHBondContact CB-SG 3.27Å; C662-C668 WeakPolarHBondContact SG-CB 3.43Å; C662-C668 CovalentContact SG-SG 2.03Å; C662-C668 PolarHBondContact SG-SG 3.3Å
663	D	62.1	Low	65	Low	30 Å²	30	68.6 Å²	68.6	16%	0.16	34%	0.344	C	S	.	.			trans	-73.7	178.5	171.7	69.3	17.4	0	0	0	112	Y516 L665 G666 E667	Y516-D663 VanDerWaalsContact CE1-OD2 3.3Å; Y516-D663 WeakPolarHBondContact CE1-OD2 3.46Å; Y516-D663 PolarHBondContact OH-OD2 3.26Å; D663-L665 PolarHBondContact O-N 2.93Å; D663-L665 VanDerWaalsContact O-N 3.15Å; D663-L665 VanDerWaalsContact OD1-CA 3.28Å; D663-L665 WeakPolarHBondContact OD1-CA 3.31Å; D663-L665 VanDerWaalsContact OD1-CB 3.26Å; D663-L665 WeakPolarHBondContact OD1-CB 3.13Å; D663-L665 PolarHBondContact OD1-N 2.93Å; D663-G666 PolarHBondContact O-N 3.27Å; D663-G666 PolarHBondContact OD1-N 2.79Å; D663-E667 PolarHBondContact N-O 3.31Å; D663-E667 WeakPolarHBondContact OD1-CB 3.44Å; D663-E667 PolarHBondContact OD1-N 3.36Å
664	L	53.8	Low	65.3	Low	153 Å²	153	60.5 Å²	60.5	80%	0.801	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.3	177.7	-70.3	170.3	0	0	0	113.7	Y601 G666	Y601-L664 HydrophobicContact CE1-CD1 4.4Å; L664-G666 VanDerWaalsContact C-N 3.26Å
665	L	57.3	Low	65.3	Low	44 Å²	44	59.6 Å²	59.6	23%	0.23	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	1.6	176.3	-57.6	171.8	0	0	0	111.8	Y601 M605 I637 I639 D663 E667	Y601-L665 VanDerWaalsContact OH-CD1 3.32Å; Y601-L665 WeakPolarHBondContact OH-CD1 3.48Å; M605-L665 HydrophobicContact CE-CD1 4.33Å; I637-L665 HydrophobicContact CD1-CD1 3.59Å; I637-L665 HydrophobicContact CD1-CD2 4.03Å; I637-L665 HydrophobicContact CD1-CG 4.3Å; I639-L665 VanDerWaalsContact CG1-O 3.25Å; I639-L665 WeakPolarHBondContact CG1-O 3.44Å; D663-L665 PolarHBondContact O-N 2.93Å; D663-L665 VanDerWaalsContact O-N 3.15Å; D663-L665 VanDerWaalsContact OD1-CA 3.28Å; D663-L665 WeakPolarHBondContact OD1-CA 3.31Å; D663-L665 VanDerWaalsContact OD1-CB 3.26Å; D663-L665 WeakPolarHBondContact OD1-CB 3.13Å; D663-L665 PolarHBondContact OD1-N 2.93Å; L665-E667 VanDerWaalsContact C-N 3.27Å; L665-E667 HydrophobicContact CB-CG 4.34Å
666	G	59.3	Low	65	Low	24 Å²	24	52.1 Å²	52.1	25%	0.247	29%	0.285	C	S	.	.	S	Bend	trans	76.1	14.8	-177.5	0	0	0	0	0	113.4	D663 L664	D663-G666 PolarHBondContact O-N 3.27Å; D663-G666 PolarHBondContact OD1-N 2.79Å; L664-G666 VanDerWaalsContact C-N 3.26Å
667	E	68.1	Low	64.4	Low	5 Å²	5	52.2 Å²	52.2	2%	0.023	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-94.3	119.9	-178.9	-69	-65.5	170.3	0	0	110.2	R468 R472 Y516 C662 D663 L665	R468-E667 IonicContact CZ-OE2 2.71Å; R468-E667 VanDerWaalsContact CZ-OE2 3.29Å; R468-E667 IonicContact NH1-OE2 3.39Å; R468-E667 PolarHBondContact NH1-OE2 3.06Å; R468-E667 IonicContact NH2-OE2 3.65Å; R468-E667 PolarHBondContact NH2-OE2 2.93Å; R472-E667 IonicContact CZ-OE1 3.6Å; R472-E667 VanDerWaalsContact NH2-CG 3.33Å; R472-E667 IonicContact NH2-OE1 3.85Å; R472-E667 PolarHBondContact NH2-OE1 2.93Å; R472-E667 IonicContact NH2-OE2 3.73Å; Y516-E667 WeakPolarHBondContact OH-CB 3.49Å; C662-E667 CarbonylContact C-O 3.56Å; C662-E667 VanDerWaalsContact CA-O 3.27Å; C662-E667 WeakPolarHBondContact CA-O 3.37Å; D663-E667 PolarHBondContact N-O 3.31Å; D663-E667 WeakPolarHBondContact OD1-CB 3.44Å; D663-E667 PolarHBondContact OD1-N 3.36Å; L665-E667 VanDerWaalsContact C-N 3.27Å; L665-E667 HydrophobicContact CB-CG 4.34Å
668	C	66.3	Low	63.9	Low	16 Å²	16	55.8 Å²	55.8	11%	0.108	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	144.4	-171.1	-43.8	0	0	0	0	113	R468 D661 C662 Y670	R468-C668 VanDerWaalsContact NH1-N 3.2Å; R468-C668 PolarHBondContact NH1-O 2.98Å; D661-C668 WeakPolarHBondContact O-CA 3.48Å; C662-C668 HydrophobicContact CB-CB 3.96Å; C662-C668 WeakPolarHBondContact CB-SG 3.27Å; C662-C668 WeakPolarHBondContact SG-CB 3.43Å; C662-C668 CovalentContact SG-SG 2.03Å; C662-C668 PolarHBondContact SG-SG 3.3Å; C668-Y670 HydrophobicContact CB-CE1 4.11Å; C668-Y670 HydrophobicContact CB-CE2 4.09Å
669	I	64.3	Low	63.6	Low	16 Å²	16	56.2 Å²	56.2	8%	0.082	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.6	161.2	-53.3	-166.4	0	0	0	107.8	A432 V467 Y516 G660 D661	A432-I669 VanDerWaalsContact CA-CD1 3.44Å; A432-I669 HydrophobicContact CB-CB 4.39Å; A432-I669 HydrophobicContact CB-CD1 3.14Å; A432-I669 HydrophobicContact CB-CG1 3.7Å; V467-I669 HydrophobicContact CG2-CD1 3.66Å; V467-I669 HydrophobicContact CG2-CG2 4.15Å; Y516-I669 HydrophobicContact CD1-CD1 3.83Å; Y516-I669 HydrophobicContact CD1-CG1 4.06Å; Y516-I669 HydrophobicContact CG-CD1 4.02Å; Y516-I669 HydrophobicContact CG-CG1 4.38Å; G660-I669 CarbonylContact C-O 3.37Å; G660-I669 WeakPolarHBondContact CA-O 3.44Å; D661-I669 PolarHBondContact N-O 3.38Å; D661-I669 PolarHBondContact O-N 2.5Å
670	Y	67.7	Low	63.3	Low	52 Å²	52	48.2 Å²	48.2	20%	0.204	28%	0.278	C	S	.	.			trans	-94.7	0	-170.8	-62	-85	0	0	0	114.2	K140 R141 D487 Y488 E658 C668	K140-Y670 VanDerWaalsContact CD-OXT 3.29Å; K140-Y670 WeakPolarHBondContact CD-OXT 2.99Å; K140-Y670 PolarHBondContact NZ-OXT 2.9Å; R141-Y670 PolarHBondContact NE-O 3.11Å; R141-Y670 VanDerWaalsContact NE-O 3.11Å; D487-Y670 HydrophobicContact CB-CD2 4.21Å; Y488-Y670 HydrophobicContact CE1-CG 4.37Å; Y488-Y670 WeakPolarHBondContact OH-CB 3.42Å; E658-Y670 HydrophobicContact CB-CD1 4.05Å; E658-Y670 HydrophobicContact CB-CE1 3.99Å; E658-Y670 WeakPolarHBondContact O-CE1 3.22Å; C668-Y670 HydrophobicContact CB-CE1 4.11Å; C668-Y670 HydrophobicContact CB-CE2 4.09Å

Retrieved 670 of 670 residues in 206.2 ms (Link to these results)

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