A0A087XPJ7_POEFO Loading...

Probable ATP-dependent RNA helicase DHX35

May be involved in pre-mRNA splicing.

AlphaFold DB , UniProt , Accession A0A087XPJ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 692 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	25.4	Very low	30.9	Very low	223 Å²	223	162 Å²	162	100%	1.099	87%	0.874	S	S	*	*				0	130.4	0	-74.7	179.8	-167.6	0	0	108.4
2	K	26.2	Very low	30.5	Very low	213 Å²	213	154.8 Å²	154.8	93%	0.926	87%	0.867	S	S	*	*			trans	-76.7	142.9	170	-84.2	179.7	173.1	178.6	0	108.7
3	F	27.6	Very low	30.2	Very low	196 Å²	196	155.9 Å²	155.9	86%	0.86	87%	0.867	S	S	*	*			trans	-110.4	138.7	169.4	-71.3	-78.4	0	0	0	110.1
4	W	27	Very low	29.7	Very low	240 Å²	240	152.9 Å²	152.9	91%	0.909	86%	0.861	S	S	*	*			trans	-161	154.9	139.9	-153.5	12.3	0	0	0	111.5
5	K	26	Very low	29.5	Very low	191 Å²	191	155.1 Å²	155.1	83%	0.83	86%	0.862	S	S	*	*			trans	-144.9	153.2	146.9	-109	-148	172.6	176.6	0	114
6	P	25.3	Very low	29.1	Very low	111 Å²	111	157.6 Å²	157.6	72%	0.721	87%	0.865	S	S	*	*			trans	-99.7	163.6	-160.6	39.5	-36.8	0	0	0	114.6
7	G	36.6	Very low	28.9	Very low	83 Å²	83	161.9 Å²	161.9	86%	0.856	87%	0.865	S	S	*	*			trans	131.3	40.6	161.6	0	0	0	0	0	118.3
8	A	37.4	Very low	28.5	Very low	105 Å²	105	161.7 Å²	161.7	87%	0.868	86%	0.864	S	S	*	*			trans	-142.2	129	163.6	0	0	0	0	0	111.7
9	E	31.4	Very low	28.4	Very low	195 Å²	195	161.8 Å²	161.8	91%	0.911	86%	0.864	S	S	*	*			trans	-75.3	153.2	-164.9	-71.4	175.4	141.5	0	0	114.9
10	A	43.5	Very low	28.3	Very low	99 Å²	99	158.5 Å²	158.5	82%	0.818	85%	0.854	S	S	*	*			trans	-86.6	150.3	171.8	0	0	0	0	0	111.4
11	P	33.1	Very low	28.2	Very low	126 Å²	126	156.1 Å²	156.1	82%	0.818	85%	0.85	S	S	*	*			trans	-127.8	123.2	150.6	30	-13.8	0	0	0	112.8
12	G	26.3	Very low	28.2	Very low	76 Å²	76	155 Å²	155	78%	0.784	84%	0.842	S	S	*	*				76	108.6	113.6	0	0	0	0	0	118.7
13	I	26.4	Very low	28.2	Very low	169 Å²	169	150.7 Å²	150.7	87%	0.867	83%	0.834	S	S	*	*			trans	-71.9	130.2	160.9	-64.8	165.3	0	0	0	108.9
14	S	23.6	Very low	28.2	Very low	113 Å²	113	147.6 Å²	147.6	79%	0.79	83%	0.831	S	S	*	*			trans	-143.2	126.2	150.5	50.9	0	0	0	0	108.6
15	E	27.1	Very low	28.1	Very low	186 Å²	186	139.4 Å²	139.4	87%	0.869	82%	0.821	S	S	*	*			trans	-71.5	130.8	171.4	-68.3	-179.6	136.7	0	0	109.3
16	E	22.1	Very low	28.5	Very low	196 Å²	196	133.5 Å²	133.5	92%	0.916	80%	0.803	S	S	*	*			trans	-154.1	130.8	144.4	-114.1	172.2	-164.9	0	0	109
17	R	25.8	Very low	28.8	Very low	230 Å²	230	129.1 Å²	129.1	87%	0.868	78%	0.775	S	S	*	*			trans	-75	122.1	-177.8	-69.6	172.7	-172.5	166.3	3.6	109.2
18	D	22.2	Very low	28.9	Very low	158 Å²	158	131.6 Å²	131.6	85%	0.845	76%	0.762	S	S	*	*			trans	-115.7	101.6	153.7	-89.3	-32.1	0	0	0	110.1	S20	D18-S20 VanDerWaalsContact C-N 3.34Å; D18-S20 PolarHBondContact O-N 2.66Å
19	L	26.3	Very low	29.3	Very low	164 Å²	164	128.5 Å²	128.5	86%	0.859	73%	0.733	S	S	*	*			trans	-80.7	73.9	170.9	-80.3	154.5	0	0	0	109.4
20	S	26.7	Very low	30.1	Very low	96 Å²	96	122.1 Å²	122.1	67%	0.671	70%	0.702	S	S	*	*			trans	-170.7	91.2	164.6	54.8	0	0	0	0	113	D18	D18-S20 VanDerWaalsContact C-N 3.34Å; D18-S20 PolarHBondContact O-N 2.66Å
21	S	26.7	Very low	31	Very low	109 Å²	109	118.1 Å²	118.1	76%	0.762	67%	0.667	S	S	*	*			trans	164.5	88.8	141.3	58.8	0	0	0	0	111.2
22	E	24.1	Very low	32	Very low	200 Å²	200	116.1 Å²	116.1	94%	0.935	65%	0.654	S	S	*	*			trans	-122.5	76.6	145.3	-79.9	-162.4	163.7	0	0	107.5	T24	E22-T24 PolarHBondContact O-N 3.14Å
23	T	26.4	Very low	33.7	Very low	122 Å²	122	115.1 Å²	115.1	75%	0.748	63%	0.631	S	S	*	*			trans	-39.7	130.9	155.9	5.8	0	0	0	0	109.3	G25	T23-G25 PolarHBondContact O-N 3.08Å
24	T	27.3	Very low	35.4	Very low	131 Å²	131	111.8 Å²	111.8	80%	0.804	62%	0.618	S	S	*	*			trans	-31.5	101.9	154.9	41.9	0	0	0	0	109.7	E22 S26	E22-T24 PolarHBondContact O-N 3.14Å; T24-S26 PolarHBondContact O-N 3.16Å
25	G	26.7	Very low	37.3	Very low	68 Å²	68	111.3 Å²	111.3	70%	0.701	62%	0.621	S	S	*	*			trans	-56.2	104.1	178.7	0	0	0	0	0	108.5	T23	T23-G25 PolarHBondContact O-N 3.08Å
26	S	32.8	Very low	39.4	Very low	66 Å²	66	105 Å²	105	46%	0.462	59%	0.593	S	S	.	*			trans	-51.9	136.1	178.7	52.9	0	0	0	0	108.8	T24 F28	T24-S26 PolarHBondContact O-N 3.16Å; S26-F28 PolarHBondContact O-N 3.14Å
27	P	33.4	Very low	42.1	Very low	19 Å²	19	98.7 Å²	98.7	12%	0.123	57%	0.571	C	S	.	*			trans	-67.4	101.2	174.3	26.1	-31.2	0	0	0	109.3	V29 I105 N109 Y312	P27-V29 PolarHBondContact O-N 2.79Å; P27-V29 VanDerWaalsContact O-N 3.1Å; P27-I105 HydrophobicContact CG-CG2 3.8Å; P27-N109 WeakPolarHBondContact CD-ND2 3.49Å; P27-N109 HydrophobicContact CG-CB 3.77Å; P27-N109 PolarHBondContact O-ND2 3.48Å; P27-Y312 WeakPolarHBondContact CA-OH 3.35Å; P27-Y312 HydrophobicContact CB-CE1 4.47Å; P27-Y312 HydrophobicContact CB-CE2 4.32Å; P27-Y312 WeakPolarHBondContact CB-OH 3.32Å
28	F	36.7	Very low	44.6	Very low	135 Å²	135	91.2 Å²	91.2	59%	0.592	55%	0.547	S	S	*	.			trans	-65.8	108.7	179	-150.6	-88.9	0	0	0	108.8	S26 F30	S26-F28 PolarHBondContact O-N 3.14Å; F28-F30 PolarHBondContact O-N 2.98Å
29	V	46.3	Very low	47.3	Very low	41 Å²	41	89.9 Å²	89.9	25%	0.248	54%	0.536	C	S	.	.			trans	-84.1	105.9	171.1	174.9	0	0	0	0	107.7	P27 N31 S106 R110	P27-V29 PolarHBondContact O-N 2.79Å; P27-V29 VanDerWaalsContact O-N 3.1Å; V29-N31 PolarHBondContact O-N 3.31Å; V29-S106 WeakPolarHBondContact CG2-O 3.08Å; V29-R110 HydrophobicContact CB-CB 3.88Å; V29-R110 HydrophobicContact CB-CG 4.19Å; V29-R110 HydrophobicContact CG1-CB 4.04Å; V29-R110 HydrophobicContact CG1-CG 3.92Å; V29-R110 HydrophobicContact CG2-CB 3.79Å
30	F	48.7	Very low	49.9	Very low	60 Å²	60	87.9 Å²	87.9	26%	0.263	52%	0.52	S	S	.	.			trans	-59.7	122.2	-178.5	-178.1	-93.7	0	0	0	111.2	F28 P32 F319 T343	F28-F30 PolarHBondContact O-N 2.98Å; F30-P32 HydrophobicContact CE1-CB 4.21Å; F30-F319 HydrophobicContact CB-CB 3.64Å; F30-F319 HydrophobicContact CB-CD1 4.07Å; F30-F319 HydrophobicContact CB-CG 4.09Å; F30-F319 HydrophobicContact CD2-CB 4.26Å; F30-F319 WeakPolarHBondContact CD2-O 3.49Å; F30-F319 VanDerWaalsContact CE2-O 3.32Å; F30-F319 WeakPolarHBondContact CE2-O 3.42Å; F30-F319 HydrophobicContact CG-CB 3.96Å; F30-T343 HydrophobicContact CD1-CG2 3.87Å; F30-T343 HydrophobicContact CE1-CG2 3.57Å; F30-T343 WeakPolarHBondContact CE1-OG1 3.45Å
31	N	61.6	Low	52.5	Low	16 Å²	16	83.9 Å²	83.9	9%	0.086	49%	0.491	C	S	.	.			trans	-121	110.4	-178	168.5	23.4	0	0	0	109.3	V29 N33 T34 Q41 R110	V29-N31 PolarHBondContact O-N 3.31Å; N31-N33 PolarHBondContact O-N 3.33Å; N31-N33 VanDerWaalsContact O-N 3.09Å; N31-N33 PolarHBondContact OD1-N 3.22Å; N31-T34 HydrophobicContact CB-CG2 3.95Å; N31-T34 VanDerWaalsContact O-CG2 3.3Å; N31-T34 WeakPolarHBondContact O-CG2 3.37Å; N31-T34 PolarHBondContact O-N 3.23Å; N31-Q41 PolarHBondContact ND2-NE2 2.93Å; N31-Q41 PolarHBondContact ND2-OE1 3.29Å; N31-R110 PolarHBondContact ND2-NH1 2.97Å; N31-R110 PolarHBondContact ND2-NH2 3.42Å
32	P	54.5	Low	55.2	Low	83 Å²	83	80.7 Å²	80.7	54%	0.539	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.6	-177.8	27.5	-33.9	0	0	0	113.4	F30 T343	F30-P32 HydrophobicContact CE1-CB 4.21Å; P32-T343 HydrophobicContact CB-CG2 4.31Å; P32-T343 HydrophobicContact CG-CG2 4.29Å
33	N	62.6	Low	58.1	Low	56 Å²	56	75.5 Å²	75.5	30%	0.299	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	21.2	-178.2	-62.2	-61.9	0	0	0	112.8	N31 A35 L36 Q41	N31-N33 PolarHBondContact O-N 3.33Å; N31-N33 VanDerWaalsContact O-N 3.09Å; N31-N33 PolarHBondContact OD1-N 3.22Å; N33-A35 PolarHBondContact O-N 3.2Å; N33-L36 HydrophobicContact CB-CD1 4.03Å; N33-L36 HydrophobicContact CB-CG 4.39Å; N33-L36 WeakPolarHBondContact O-CB 3.49Å; N33-L36 PolarHBondContact O-N 2.97Å; N33-Q41 HydrophobicContact CB-CB 4.4Å; N33-Q41 HydrophobicContact CB-CG 3.71Å; N33-Q41 WeakPolarHBondContact O-CG 3.36Å; N33-Q41 PolarHBondContact O-NE2 2.75Å
34	T	62.3	Low	60.9	Low	98 Å²	98	74.7 Å²	74.7	60%	0.601	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-30.1	180	40.3	0	0	0	0	114.2	N31 L36	N31-T34 HydrophobicContact CB-CG2 3.95Å; N31-T34 VanDerWaalsContact O-CG2 3.3Å; N31-T34 WeakPolarHBondContact O-CG2 3.37Å; N31-T34 PolarHBondContact O-N 3.23Å; T34-L36 PolarHBondContact O-N 3.14Å
35	A	63.5	Low	63.7	Low	103 Å²	103	70.4 Å²	70.4	85%	0.851	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.2	176.4	0	0	0	0	0	114.3	N33	N33-A35 PolarHBondContact O-N 3.2Å
36	L	70.5	Confident	66.6	Low	55 Å²	55	68 Å²	68	29%	0.288	37%	0.368	S	S	.	.	S	Bend	trans	-91.2	152.7	174.6	-57.6	179	0	0	0	110.1	N33 T34 K40 Q41 K44	N33-L36 HydrophobicContact CB-CD1 4.03Å; N33-L36 HydrophobicContact CB-CG 4.39Å; N33-L36 WeakPolarHBondContact O-CB 3.49Å; N33-L36 PolarHBondContact O-N 2.97Å; T34-L36 PolarHBondContact O-N 3.14Å; L36-K40 HydrophobicContact CB-CB 4.25Å; L36-Q41 HydrophobicContact CB-CG 3.91Å; L36-Q41 PolarHBondContact O-NE2 3.39Å; L36-K44 HydrophobicContact CD1-CD 4.12Å
37	S	79.4	Confident	69.4	Low	63 Å²	63	64.9 Å²	64.9	44%	0.441	35%	0.346	S	S	.	.			trans	-57.1	144.1	167.1	63.8	0	0	0	0	110.4	E39 K40 Q41	S37-E39 PolarHBondContact O-N 3.37Å; S37-E39 VanDerWaalsContact O-N 3.11Å; S37-K40 PolarHBondContact O-N 3.2Å; S37-K40 WeakPolarHBondContact OG-CG 3.25Å; S37-Q41 WeakPolarHBondContact O-CG 3.29Å; S37-Q41 PolarHBondContact O-N 2.82Å; S37-Q41 VanDerWaalsContact O-N 3.1Å
38	I	77.6	Confident	72.2	Confident	73 Å²	73	67.7 Å²	67.7	37%	0.374	36%	0.357	S	S	.	.	H	α-helix	trans	-49.6	-41.9	-179	-69.2	166.7	0	0	0	111.1	K40 Q41 R42 E114	I38-K40 PolarHBondContact O-N 3.16Å; I38-Q41 WeakPolarHBondContact O-CB 3.26Å; I38-Q41 PolarHBondContact O-N 3.39Å; I38-Q41 VanDerWaalsContact O-N 3.14Å; I38-R42 HydrophobicContact CG2-CG 4.39Å; I38-R42 WeakPolarHBondContact O-CG 3.26Å; I38-R42 PolarHBondContact O-N 2.96Å; I38-E114 HydrophobicContact CG2-CB 4.02Å; I38-E114 HydrophobicContact CG2-CG 4.07Å
39	E	79.2	Confident	74.8	Confident	129 Å²	129	69 Å²	69	60%	0.603	36%	0.362	S	S	*	.	H	α-helix	trans	-59.7	-46.9	178	-167.1	179.1	-178.8	0	0	113.1	S37 Q41 R42 Q43	S37-E39 PolarHBondContact O-N 3.37Å; S37-E39 VanDerWaalsContact O-N 3.11Å; E39-Q41 PolarHBondContact O-N 2.83Å; E39-R42 PolarHBondContact O-N 2.82Å; E39-Q43 WeakPolarHBondContact O-CG 3.38Å; E39-Q43 PolarHBondContact O-N 3.17Å
40	K	82.1	Confident	77.1	Confident	123 Å²	123	69 Å²	69	54%	0.535	36%	0.359	S	S	.	.	H	α-helix	trans	-64.3	-31	176.2	-75	-180	178.6	177.9	0	112.2	L36 S37 I38 K44	L36-K40 HydrophobicContact CB-CB 4.25Å; S37-K40 PolarHBondContact O-N 3.2Å; S37-K40 WeakPolarHBondContact OG-CG 3.25Å; I38-K40 PolarHBondContact O-N 3.16Å; K40-K44 WeakPolarHBondContact O-CG 3.42Å; K40-K44 PolarHBondContact O-N 3.1Å
41	Q	79.8	Confident	79.3	Confident	12 Å²	12	69.4 Å²	69.4	6%	0.056	36%	0.359	C	S	.	.	H	α-helix	trans	-67.3	-47	174.7	-56.2	172.1	15.9	0	0	110.9	N31 N33 L36 S37 I38 E39 Q43 K44	N31-Q41 PolarHBondContact ND2-NE2 2.93Å; N31-Q41 PolarHBondContact ND2-OE1 3.29Å; N33-Q41 HydrophobicContact CB-CB 4.4Å; N33-Q41 HydrophobicContact CB-CG 3.71Å; N33-Q41 WeakPolarHBondContact O-CG 3.36Å; N33-Q41 PolarHBondContact O-NE2 2.75Å; L36-Q41 HydrophobicContact CB-CG 3.91Å; L36-Q41 PolarHBondContact O-NE2 3.39Å; S37-Q41 WeakPolarHBondContact O-CG 3.29Å; S37-Q41 PolarHBondContact O-N 2.82Å; S37-Q41 VanDerWaalsContact O-N 3.1Å; I38-Q41 WeakPolarHBondContact O-CB 3.26Å; I38-Q41 PolarHBondContact O-N 3.39Å; I38-Q41 VanDerWaalsContact O-N 3.14Å; E39-Q41 PolarHBondContact O-N 2.83Å; Q41-Q43 PolarHBondContact O-N 3.07Å; Q41-K44 PolarHBondContact O-N 2.98Å
42	R	83.8	Confident	80.9	Confident	42 Å²	42	73.8 Å²	73.8	16%	0.158	38%	0.382	C	S	.	.	H	α-helix	trans	-59	-45.9	178.3	-67.3	175.4	65.4	-164	-2	111.3	I38 E39 K44 L45 Q77 E84	I38-R42 HydrophobicContact CG2-CG 4.39Å; I38-R42 WeakPolarHBondContact O-CG 3.26Å; I38-R42 PolarHBondContact O-N 2.96Å; E39-R42 PolarHBondContact O-N 2.82Å; R42-K44 VanDerWaalsContact C-N 3.26Å; R42-K44 PolarHBondContact O-N 3.38Å; R42-L45 WeakPolarHBondContact O-CB 3.39Å; R42-L45 PolarHBondContact O-N 2.94Å; R42-Q77 VanDerWaalsContact CG-OE1 3.27Å; R42-E84 IonicContact CZ-OE1 3.91Å; R42-E84 IonicContact NH1-OE1 3.38Å; R42-E84 IonicContact NH2-OE1 3.97Å; R42-E84 PolarHBondContact NH2-OE1 3.42Å
43	Q	85.8	Confident	82.9	Confident	91 Å²	91	73.8 Å²	73.8	43%	0.425	38%	0.378	S	S	.	.	H	α-helix	trans	-63.5	-26.1	179.6	-69.9	176.8	5.4	0	0	114.1	E39 Q41 L45 F48	E39-Q43 WeakPolarHBondContact O-CG 3.38Å; E39-Q43 PolarHBondContact O-N 3.17Å; Q41-Q43 PolarHBondContact O-N 3.07Å; Q43-L45 VanDerWaalsContact C-N 3.33Å; Q43-F48 HydrophobicContact CB-CD1 4.37Å; Q43-F48 HydrophobicContact CB-CE1 4.32Å; Q43-F48 HydrophobicContact CB-CZ 4.46Å; Q43-F48 HydrophobicContact CG-CD1 4.45Å; Q43-F48 HydrophobicContact CG-CD2 4.38Å; Q43-F48 HydrophobicContact CG-CE1 3.98Å; Q43-F48 HydrophobicContact CG-CE2 3.9Å; Q43-F48 HydrophobicContact CG-CZ 3.69Å
44	K	85.5	Confident	84.5	Confident	104 Å²	104	71.1 Å²	71.1	45%	0.452	36%	0.364	S	S	.	.	H	α-helix	trans	-76	-19.3	178.4	-81.5	-174.4	176.3	-173.2	0	113.5	L36 K40 Q41 R42 R232	L36-K44 HydrophobicContact CD1-CD 4.12Å; K40-K44 WeakPolarHBondContact O-CG 3.42Å; K40-K44 PolarHBondContact O-N 3.1Å; Q41-K44 PolarHBondContact O-N 2.98Å; R42-K44 VanDerWaalsContact C-N 3.26Å; R42-K44 PolarHBondContact O-N 3.38Å; K44-R232 PolarHBondContact O-NH1 2.95Å; K44-R232 PolarHBondContact O-NH2 2.56Å
45	L	86	Confident	86.1	Confident	42 Å²	42	67.4 Å²	67.4	22%	0.22	34%	0.34	C	S	.	.	S	Bend	trans	-70	138.1	-178	-66.8	170.9	0	0	0	110.8	R42 Q43 V47 F48 Q77	R42-L45 WeakPolarHBondContact O-CB 3.39Å; R42-L45 PolarHBondContact O-N 2.94Å; Q43-L45 VanDerWaalsContact C-N 3.33Å; L45-V47 HydrophobicContact CB-CG1 4.33Å; L45-V47 PolarHBondContact O-N 2.81Å; L45-F48 VanDerWaalsContact O-CB 3.25Å; L45-F48 WeakPolarHBondContact O-CB 3.25Å; L45-F48 PolarHBondContact O-N 3.22Å; L45-Q77 HydrophobicContact CD1-CG 3.58Å
46	P	87.6	Confident	87.7	Confident	17 Å²	17	69.8 Å²	69.8	11%	0.11	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-53.7	-38.6	-178.6	-26.4	32	0	0	0	114.3	F48 K49 C72 V229 R232	P46-F48 PolarHBondContact O-N 3.27Å; P46-F48 VanDerWaalsContact O-N 3.11Å; P46-K49 PolarHBondContact O-N 2.87Å; P46-C72 HydrophobicContact CB-CB 4.08Å; P46-C72 WeakPolarHBondContact CD-O 3.21Å; P46-C72 HydrophobicContact CG-CB 4.03Å; P46-V229 HydrophobicContact CB-CG1 4.13Å; P46-R232 HydrophobicContact CG-CG 4.18Å
47	V	91.4	Very high	88.9	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-60.6	-23.1	-179.8	74.1	0	0	0	0	113.4	L45 K49 H50 R51 I54 C72 Q77 I78 Y81	L45-V47 HydrophobicContact CB-CG1 4.33Å; L45-V47 PolarHBondContact O-N 2.81Å; V47-K49 VanDerWaalsContact C-N 3.29Å; V47-K49 PolarHBondContact O-N 3.48Å; V47-H50 PolarHBondContact O-N 3.13Å; V47-H50 VanDerWaalsContact O-N 3.08Å; V47-R51 PolarHBondContact O-N 2.85Å; V47-I54 HydrophobicContact CG2-CD1 3.66Å; V47-C72 WeakPolarHBondContact CB-O 3.24Å; V47-C72 WeakPolarHBondContact CG1-O 3.47Å; V47-C72 PolarHBondContact N-O 3.09Å; V47-C72 VanDerWaalsContact N-O 3.11Å; V47-Q77 HydrophobicContact CG1-CB 3.79Å; V47-Q77 HydrophobicContact CG1-CG 3.9Å; V47-I78 HydrophobicContact CG2-CD1 4.35Å; V47-I78 HydrophobicContact CG2-CG1 4.09Å; V47-Y81 HydrophobicContact CG1-CE2 4.43Å
48	F	91.7	Very high	89.7	Confident	79 Å²	79	65.4 Å²	65.4	35%	0.346	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-60.4	-38.3	179.8	-174	-96.7	0	0	0	112.4	Q43 L45 P46 H50 R51 Y81	Q43-F48 HydrophobicContact CB-CD1 4.37Å; Q43-F48 HydrophobicContact CB-CE1 4.32Å; Q43-F48 HydrophobicContact CB-CZ 4.46Å; Q43-F48 HydrophobicContact CG-CD1 4.45Å; Q43-F48 HydrophobicContact CG-CD2 4.38Å; Q43-F48 HydrophobicContact CG-CE1 3.98Å; Q43-F48 HydrophobicContact CG-CE2 3.9Å; Q43-F48 HydrophobicContact CG-CZ 3.69Å; L45-F48 VanDerWaalsContact O-CB 3.25Å; L45-F48 WeakPolarHBondContact O-CB 3.25Å; L45-F48 PolarHBondContact O-N 3.22Å; P46-F48 PolarHBondContact O-N 3.27Å; P46-F48 VanDerWaalsContact O-N 3.11Å; F48-H50 PolarHBondContact O-N 2.77Å; F48-H50 VanDerWaalsContact O-N 3.14Å; F48-R51 WeakPolarHBondContact O-CB 3.5Å; F48-R51 PolarHBondContact O-N 3.36Å; F48-R51 VanDerWaalsContact O-N 3.13Å; F48-Y81 WeakPolarHBondContact CA-OH 3.42Å
49	K	91.6	Very high	90.5	Very high	162 Å²	162	67.3 Å²	67.3	70%	0.704	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-60.7	-25.2	177.4	-64.7	-176.1	178.7	-176.1	0	113	P46 V47	P46-K49 PolarHBondContact O-N 2.87Å; V47-K49 VanDerWaalsContact C-N 3.29Å; V47-K49 PolarHBondContact O-N 3.48Å
50	H	93.8	Very high	91.3	Very high	40 Å²	40	64 Å²	64	19%	0.185	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-103.4	9.9	-177.4	-59.6	-80.7	0	0	0	113.1	V47 F48 N52 N53 I54 L227	V47-H50 PolarHBondContact O-N 3.13Å; V47-H50 VanDerWaalsContact O-N 3.08Å; F48-H50 PolarHBondContact O-N 2.77Å; F48-H50 VanDerWaalsContact O-N 3.14Å; H50-N52 PolarHBondContact O-N 3.3Å; H50-N53 PolarHBondContact O-N 2.93Å; H50-N53 VanDerWaalsContact O-N 3.16Å; H50-I54 HydrophobicContact CB-CD1 4.29Å; H50-I54 HydrophobicContact CB-CG1 4.46Å; H50-I54 VanDerWaalsContact O-CG1 3.27Å; H50-I54 WeakPolarHBondContact O-CG1 3.36Å; H50-I54 PolarHBondContact O-N 2.85Å; H50-L227 HydrophobicContact CB-CD2 4.24Å
51	R	94.7	Very high	91.9	Very high	69 Å²	69	60.6 Å²	60.6	26%	0.26	28%	0.284	S	S	.	.	H	α-helix	trans	-49.4	-53.5	-178.1	177.8	178.5	-176.6	-88.8	5.5	112.4	V47 F48 I54 L55 Y81 E84	V47-R51 PolarHBondContact O-N 2.85Å; F48-R51 WeakPolarHBondContact O-CB 3.5Å; F48-R51 PolarHBondContact O-N 3.36Å; F48-R51 VanDerWaalsContact O-N 3.13Å; R51-I54 PolarHBondContact O-N 3.34Å; R51-L55 HydrophobicContact CG-CD1 4.45Å; R51-L55 WeakPolarHBondContact O-CG 3.46Å; R51-L55 PolarHBondContact O-N 3.29Å; R51-L55 VanDerWaalsContact O-N 3.12Å; R51-Y81 HydrophobicContact CB-CD2 4.21Å; R51-Y81 HydrophobicContact CB-CE2 4.03Å; R51-Y81 HydrophobicContact CG-CD1 4.01Å; R51-Y81 HydrophobicContact CG-CD2 3.88Å; R51-Y81 HydrophobicContact CG-CE1 4.24Å; R51-Y81 HydrophobicContact CG-CE2 4.11Å; R51-Y81 HydrophobicContact CG-CG 3.84Å; R51-E84 IonicContact CZ-OE2 3.19Å; R51-E84 IonicContact NE-OE2 3.13Å; R51-E84 IonicContact NH2-OE2 3.62Å; R51-E84 PolarHBondContact NH2-OE2 2.95Å
52	N	95.3	Very high	92.6	Very high	108 Å²	108	60.9 Å²	60.9	58%	0.578	29%	0.285	S	S	*	.	H	α-helix	trans	-69.2	-37.1	-177.1	-65.1	-10.3	0	0	0	111.8	H50 I54 L55 Y56	H50-N52 PolarHBondContact O-N 3.3Å; N52-I54 VanDerWaalsContact C-N 3.32Å; N52-I54 PolarHBondContact O-N 3.01Å; N52-L55 PolarHBondContact O-N 3.19Å; N52-Y56 WeakPolarHBondContact O-CB 3.5Å; N52-Y56 PolarHBondContact O-N 3.38Å
53	N	96	Very high	93.2	Very high	84 Å²	84	58.9 Å²	58.9	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-62.5	-41.2	175.7	-60.2	18.5	0	0	0	111	H50 L57 L227	H50-N53 PolarHBondContact O-N 2.93Å; H50-N53 VanDerWaalsContact O-N 3.16Å; N53-L57 WeakPolarHBondContact O-CB 3.42Å; N53-L57 WeakPolarHBondContact O-CG 3.43Å; N53-L57 PolarHBondContact O-N 3.09Å; N53-L227 HydrophobicContact CB-CD1 4.43Å
54	I	96.3	Very high	93.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.2	-48.7	176.9	-67.9	163.9	0	0	0	110.3	V47 H50 R51 N52 L57 V58 I66 I78 L227	V47-I54 HydrophobicContact CG2-CD1 3.66Å; H50-I54 HydrophobicContact CB-CD1 4.29Å; H50-I54 HydrophobicContact CB-CG1 4.46Å; H50-I54 VanDerWaalsContact O-CG1 3.27Å; H50-I54 WeakPolarHBondContact O-CG1 3.36Å; H50-I54 PolarHBondContact O-N 2.85Å; R51-I54 PolarHBondContact O-N 3.34Å; N52-I54 VanDerWaalsContact C-N 3.32Å; N52-I54 PolarHBondContact O-N 3.01Å; I54-L57 PolarHBondContact O-N 2.89Å; I54-V58 HydrophobicContact CG2-CG2 4.37Å; I54-V58 VanDerWaalsContact O-CG2 3.27Å; I54-V58 WeakPolarHBondContact O-CG2 3.34Å; I54-V58 PolarHBondContact O-N 2.95Å; I54-I66 HydrophobicContact CG1-CD1 4.24Å; I54-I66 HydrophobicContact CG2-CD1 4.14Å; I54-I78 HydrophobicContact CD1-CD1 4.41Å; I54-I78 HydrophobicContact CD1-CG1 4.18Å; I54-I78 HydrophobicContact CG2-CG2 4.32Å; I54-L227 HydrophobicContact CD1-CD2 4.18Å; I54-L227 HydrophobicContact CG1-CD2 3.33Å
55	L	96.9	Very high	94.2	Very high	20 Å²	20	49.7 Å²	49.7	11%	0.105	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-47.1	179.3	-67.7	175.7	0	0	0	111.6	R51 N52 L57 V58 E59 L82 A85	R51-L55 HydrophobicContact CG-CD1 4.45Å; R51-L55 WeakPolarHBondContact O-CG 3.46Å; R51-L55 PolarHBondContact O-N 3.29Å; R51-L55 VanDerWaalsContact O-N 3.12Å; N52-L55 PolarHBondContact O-N 3.19Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L55-L57 PolarHBondContact O-N 2.94Å; L55-V58 PolarHBondContact O-N 3.23Å; L55-E59 WeakPolarHBondContact O-CG 3.18Å; L55-E59 PolarHBondContact O-N 2.95Å; L55-L82 HydrophobicContact CD2-CD2 4.25Å; L55-A85 HydrophobicContact CD1-CB 4.09Å; L55-A85 HydrophobicContact CD2-CB 3.62Å; L55-A85 HydrophobicContact CG-CB 4.48Å
56	Y	96.7	Very high	94.7	Very high	152 Å²	152	47.7 Å²	47.7	60%	0.596	23%	0.226	S	C	*	.	H	α-helix	trans	-56.8	-45.7	175.7	173.5	-98.3	0	0	0	112.4	N52 E59 S60	N52-Y56 WeakPolarHBondContact O-CB 3.5Å; N52-Y56 PolarHBondContact O-N 3.38Å; Y56-E59 PolarHBondContact O-N 2.91Å; Y56-S60 VanDerWaalsContact O-CB 3.26Å; Y56-S60 WeakPolarHBondContact O-CB 3.39Å; Y56-S60 PolarHBondContact O-N 2.92Å; Y56-S60 PolarHBondContact O-OG 3.12Å
57	L	96.2	Very high	94.9	Very high	26 Å²	26	47.5 Å²	47.5	14%	0.136	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-38	179.5	-71.1	174.3	0	0	0	112.2	N53 I54 L55 E59 S60 F61 V64 L227	N53-L57 WeakPolarHBondContact O-CB 3.42Å; N53-L57 WeakPolarHBondContact O-CG 3.43Å; N53-L57 PolarHBondContact O-N 3.09Å; I54-L57 PolarHBondContact O-N 2.89Å; L55-L57 VanDerWaalsContact C-N 3.34Å; L55-L57 PolarHBondContact O-N 2.94Å; L57-E59 VanDerWaalsContact C-N 3.33Å; L57-S60 PolarHBondContact O-N 3.33Å; L57-F61 HydrophobicContact CB-CD2 4.4Å; L57-F61 HydrophobicContact CD2-CD2 3.66Å; L57-F61 HydrophobicContact CD2-CE2 3.48Å; L57-F61 VanDerWaalsContact CD2-CE2 3.48Å; L57-F61 WeakPolarHBondContact O-CB 3.37Å; L57-F61 PolarHBondContact O-N 3.16Å; L57-V64 HydrophobicContact CB-CG1 4.01Å; L57-V64 HydrophobicContact CB-CG2 3.86Å; L57-V64 HydrophobicContact CD1-CG1 4.16Å; L57-V64 WeakPolarHBondContact O-CG2 3.36Å; L57-L227 HydrophobicContact CD1-CB 3.73Å; L57-L227 HydrophobicContact CD1-CD1 4.24Å; L57-L227 HydrophobicContact CD1-CD2 4.32Å; L57-L227 HydrophobicContact CD1-CG 4.32Å
58	V	96.1	Very high	94.7	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-69.7	-32.9	178	173.5	0	0	0	0	111.4	I54 L55 V64 L82 W87 R194 I196	I54-V58 HydrophobicContact CG2-CG2 4.37Å; I54-V58 VanDerWaalsContact O-CG2 3.27Å; I54-V58 WeakPolarHBondContact O-CG2 3.34Å; I54-V58 PolarHBondContact O-N 2.95Å; L55-V58 PolarHBondContact O-N 3.23Å; V58-V64 HydrophobicContact CG2-CG2 4Å; V58-L82 HydrophobicContact CB-CD2 4.46Å; V58-L82 HydrophobicContact CG1-CD2 3.97Å; V58-L82 HydrophobicContact CG2-CD2 4.38Å; V58-W87 HydrophobicContact CG1-CH2 4.18Å; V58-W87 HydrophobicContact CG1-CZ2 3.72Å; V58-R194 HydrophobicContact CG1-CB 4.05Å; V58-R194 HydrophobicContact CG1-CG 3.97Å; V58-R194 WeakPolarHBondContact O-CD 3.38Å; V58-R194 PolarHBondContact O-NE 2.7Å; V58-I196 HydrophobicContact CG2-CD1 3.77Å; V58-I196 HydrophobicContact CG2-CG1 4.08Å
59	E	95	Very high	94.1	Very high	112 Å²	112	47.5 Å²	47.5	52%	0.523	23%	0.227	S	C	.	.	H	α-helix	trans	-68.3	-45.7	171.7	-73.8	174.2	-176.4	0	0	111.4	L55 Y56 L57 W87 R194	L55-E59 WeakPolarHBondContact O-CG 3.18Å; L55-E59 PolarHBondContact O-N 2.95Å; Y56-E59 PolarHBondContact O-N 2.91Å; L57-E59 VanDerWaalsContact C-N 3.33Å; E59-W87 HydrophobicContact CG-CZ2 3.86Å; E59-R194 PolarHBondContact O-NH2 3.45Å
60	S	94.4	Very high	93.4	Very high	61 Å²	61	41 Å²	41	43%	0.427	20%	0.2	S	C	.	.	H	α-helix	trans	-77	-38.6	-172.4	-56.9	0	0	0	0	114.1	Y56 L57	Y56-S60 VanDerWaalsContact O-CB 3.26Å; Y56-S60 WeakPolarHBondContact O-CB 3.39Å; Y56-S60 PolarHBondContact O-N 2.92Å; Y56-S60 PolarHBondContact O-OG 3.12Å; L57-S60 PolarHBondContact O-N 3.33Å
61	F	95.1	Very high	92.6	Very high	50 Å²	50	41.5 Å²	41.5	22%	0.219	22%	0.216	C	C	.	.			trans	-114.6	144.9	-173.9	-62.5	-78.7	0	0	0	111.6	L57 T63 V64 R194 D222	L57-F61 HydrophobicContact CB-CD2 4.4Å; L57-F61 HydrophobicContact CD2-CD2 3.66Å; L57-F61 HydrophobicContact CD2-CE2 3.48Å; L57-F61 VanDerWaalsContact CD2-CE2 3.48Å; L57-F61 WeakPolarHBondContact O-CB 3.37Å; L57-F61 PolarHBondContact O-N 3.16Å; F61-T63 VanDerWaalsContact C-N 3.3Å; F61-T63 WeakPolarHBondContact CB-O 3.43Å; F61-V64 HydrophobicContact CB-CG2 4.29Å; F61-R194 WeakPolarHBondContact O-CD 3.35Å; F61-D222 VanDerWaalsContact CD1-O 3.25Å; F61-D222 WeakPolarHBondContact CD1-O 3.42Å; F61-D222 HydrophobicContact CE1-CB 4.4Å; F61-D222 VanDerWaalsContact CE1-O 3.26Å; F61-D222 WeakPolarHBondContact CE1-O 3.46Å
62	Q	94.5	Very high	92.1	Very high	18 Å²	18	38.3 Å²	38.3	8%	0.084	21%	0.205	C	C	.	.	S	Bend	trans	-70.8	-31.5	176.1	-157.8	179.3	0.4	0	0	111.4	Q187 R190 L193 R194 V195 T223	Q62-Q187 HydrophobicContact CG-CG 4.38Å; Q62-Q187 VanDerWaalsContact NE2-CB 3.31Å; Q62-Q187 PolarHBondContact NE2-O 2.92Å; Q62-Q187 PolarHBondContact O-NE2 2.78Å; Q62-Q187 VanDerWaalsContact O-NE2 3.09Å; Q62-R190 PolarHBondContact NE2-O 3.47Å; Q62-L193 WeakPolarHBondContact CG-O 3.34Å; Q62-R194 WeakPolarHBondContact O-CA 3.27Å; Q62-V195 PolarHBondContact O-N 3.31Å; Q62-T223 PolarHBondContact N-O 3.45Å; Q62-T223 VanDerWaalsContact N-O 3.16Å
63	T	96.8	Very high	91.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.1	174.7	-58.6	0	0	0	0	111.5	F61 Q187 V195 V197 F211 T223 C224 G225	F61-T63 VanDerWaalsContact C-N 3.3Å; F61-T63 WeakPolarHBondContact CB-O 3.43Å; T63-Q187 PolarHBondContact OG1-NE2 2.91Å; T63-Q187 PolarHBondContact OG1-OE1 2.78Å; T63-V195 CarbonylContact C-O 3.55Å; T63-V195 VanDerWaalsContact CA-O 3.23Å; T63-V195 WeakPolarHBondContact CA-O 3.42Å; T63-V195 HydrophobicContact CG2-CB 4.43Å; T63-V195 HydrophobicContact CG2-CG1 4.43Å; T63-V197 HydrophobicContact CG2-CG2 4.36Å; T63-F211 HydrophobicContact CG2-CB 3.81Å; T63-F211 HydrophobicContact CG2-CD1 4.18Å; T63-F211 HydrophobicContact CG2-CD2 4Å; T63-F211 HydrophobicContact CG2-CG 3.74Å; T63-T223 PolarHBondContact N-O 3.2Å; T63-T223 VanDerWaalsContact N-O 3.1Å; T63-C224 CarbonylContact O-C 3.58Å; T63-C224 VanDerWaalsContact O-CA 3.24Å; T63-C224 WeakPolarHBondContact O-CA 3.38Å; T63-G225 PolarHBondContact O-N 3.08Å
64	V	96.9	Very high	91.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.1	174.3	-174.3	0	0	0	0	109.6	L57 V58 F61 I66 V195 I196 V197	L57-V64 HydrophobicContact CB-CG1 4.01Å; L57-V64 HydrophobicContact CB-CG2 3.86Å; L57-V64 HydrophobicContact CD1-CG1 4.16Å; L57-V64 WeakPolarHBondContact O-CG2 3.36Å; V58-V64 HydrophobicContact CG2-CG2 4Å; F61-V64 HydrophobicContact CB-CG2 4.29Å; V64-I66 HydrophobicContact CG1-CD1 4.42Å; V64-I66 HydrophobicContact CG1-CG1 3.93Å; V64-V195 PolarHBondContact N-O 3.33Å; V64-I196 CarbonylContact O-C 3.53Å; V64-I196 VanDerWaalsContact O-CA 3.27Å; V64-I196 WeakPolarHBondContact O-CA 3.35Å; V64-V197 PolarHBondContact O-N 3.41Å
65	I	96.4	Very high	91.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.1	175.2	-62.7	154.3	0	0	0	108	V67 V197 A204 F207 H208 C224 G225 I226 L227	I65-V67 HydrophobicContact CG2-CG2 4.25Å; I65-V197 CarbonylContact C-O 3.59Å; I65-V197 WeakPolarHBondContact CA-O 3.21Å; I65-V197 HydrophobicContact CG1-CB 4.19Å; I65-A204 HydrophobicContact CG2-CB 3.88Å; I65-F207 VanDerWaalsContact CD1-C 3.45Å; I65-F207 HydrophobicContact CD1-CB 3.61Å; I65-F207 HydrophobicContact CG1-CB 4Å; I65-H208 HydrophobicContact CD1-CB 3.58Å; I65-C224 VanDerWaalsContact CD1-SG 3.52Å; I65-G225 PolarHBondContact N-O 3.45Å; I65-I226 HydrophobicContact CB-CG1 4.35Å; I65-I226 HydrophobicContact CD1-CG1 4.27Å; I65-I226 CarbonylContact O-C 3.58Å; I65-I226 WeakPolarHBondContact O-CA 3.26Å; I65-L227 PolarHBondContact O-N 3.33Å
66	I	95.1	Very high	91.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	109.2	-179	-58.7	179.1	0	0	0	108.5	I54 V64 K74 I78 I196 V197 A198 S199 L227 V229	I54-I66 HydrophobicContact CG1-CD1 4.24Å; I54-I66 HydrophobicContact CG2-CD1 4.14Å; V64-I66 HydrophobicContact CG1-CD1 4.42Å; V64-I66 HydrophobicContact CG1-CG1 3.93Å; I66-K74 HydrophobicContact CG2-CD 4.02Å; I66-K74 HydrophobicContact CG2-CG 4.32Å; I66-I78 HydrophobicContact CD1-CD1 3.68Å; I66-I78 HydrophobicContact CG2-CD1 4.34Å; I66-I196 HydrophobicContact CD1-CG2 3.64Å; I66-I196 HydrophobicContact CG1-CG2 4.04Å; I66-V197 PolarHBondContact N-O 2.84Å; I66-A198 WeakPolarHBondContact O-CA 3.23Å; I66-S199 PolarHBondContact O-N 2.89Å; I66-L227 WeakPolarHBondContact CA-O 3.25Å; I66-V229 HydrophobicContact CG2-CG2 4.11Å
67	V	91.6	Very high	91	Very high	13 Å²	13	23.9 Å²	23.9	8%	0.079	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.8	176.2	-171.2	0	0	0	0	108.4	I65 S199 A204 I226 L227 T228 V229	I65-V67 HydrophobicContact CG2-CG2 4.25Å; V67-S199 WeakPolarHBondContact CA-O 3.27Å; V67-A204 HydrophobicContact CG2-CB 3.43Å; V67-A204 VanDerWaalsContact CG2-CB 3.43Å; V67-I226 HydrophobicContact CG2-CG2 4.3Å; V67-L227 PolarHBondContact N-O 3.11Å; V67-T228 CarbonylContact O-C 3.53Å; V67-T228 WeakPolarHBondContact O-CA 3.11Å; V67-V229 PolarHBondContact O-N 2.88Å
68	G	86.8	Confident	91	Very high	4 Å²	4	22.7 Å²	22.7	4%	0.041	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	153.3	171	0	0	0	0	0	111.2	K74 S199 A200	G68-K74 WeakPolarHBondContact O-CE 3.4Å; G68-K74 PolarHBondContact O-NZ 2.81Å; G68-S199 PolarHBondContact N-O 3.41Å; G68-A200 WeakPolarHBondContact O-CA 3.22Å
69	E	79.2	Confident	91.1	Very high	76 Å²	76	22.6 Å²	22.6	36%	0.355	14%	0.135	S	C	.	.			trans	-63.6	160.5	-178.2	-63.9	176.4	158.8	0	0	112.8	G71 C72 K74 G231 T233	E69-G71 PolarHBondContact O-N 2.66Å; E69-C72 PolarHBondContact O-N 2.94Å; E69-C72 PolarHBondContact O-SG 2.96Å; E69-K74 PolarHBondContact O-NZ 2.82Å; E69-G231 WeakPolarHBondContact OE2-CA 3.4Å; E69-T233 WeakPolarHBondContact OE1-CG2 3.1Å; E69-T233 PolarHBondContact OE1-OG1 3.13Å; E69-T233 WeakPolarHBondContact OE2-CG2 3.3Å; E69-T233 PolarHBondContact OE2-OG1 3.14Å
70	T	77.9	Confident	91.1	Very high	24 Å²	24	17.3 Å²	17.3	15%	0.147	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	133	174.5	28.4	0	0	0	0	110.4	E168 A200 T338 R384 R387	T70-E168 WeakPolarHBondContact CG2-OE1 3.33Å; T70-A200 HydrophobicContact CG2-CB 4.49Å; T70-T338 WeakPolarHBondContact CG2-O 3.02Å; T70-R384 PolarHBondContact OG1-NH2 2.86Å; T70-R387 PolarHBondContact O-NH2 3.36Å; T70-R387 PolarHBondContact OG1-NH2 3.08Å
71	G	76.9	Confident	91.3	Very high	51 Å²	51	14.4 Å²	14.4	53%	0.526	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	-4.9	-172.9	0	0	0	0	0	115.3	E69 G73	E69-G71 PolarHBondContact O-N 2.66Å; G71-G73 PolarHBondContact O-N 3.33Å
72	C	83.8	Confident	91.4	Very high	3 Å²	3	12 Å²	12	2%	0.02	8%	0.08	C	C	.	.	S	Bend	trans	-75.4	-7	177.1	73.8	0	0	0	0	114.6	P46 V47 E69 K74 V229	P46-C72 HydrophobicContact CB-CB 4.08Å; P46-C72 WeakPolarHBondContact CD-O 3.21Å; P46-C72 HydrophobicContact CG-CB 4.03Å; V47-C72 WeakPolarHBondContact CB-O 3.24Å; V47-C72 WeakPolarHBondContact CG1-O 3.47Å; V47-C72 PolarHBondContact N-O 3.09Å; V47-C72 VanDerWaalsContact N-O 3.11Å; E69-C72 PolarHBondContact O-N 2.94Å; E69-C72 PolarHBondContact O-SG 2.96Å; C72-K74 VanDerWaalsContact SG-CG 3.52Å; C72-V229 HydrophobicContact CB-CG1 4.39Å
73	G	87.6	Confident	91.5	Very high	9 Å²	9	12.3 Å²	12.3	9%	0.093	8%	0.082	C	C	.	.	S	Bend	trans	100	8.2	174	0	0	0	0	0	116.2	G71 T75 T76 Q77	G71-G73 PolarHBondContact O-N 3.33Å; G73-T75 PolarHBondContact O-N 2.85Å; G73-T76 PolarHBondContact O-N 3.13Å; G73-T76 PolarHBondContact O-OG1 2.92Å; G73-Q77 WeakPolarHBondContact O-CB 3.42Å; G73-Q77 WeakPolarHBondContact O-CG 3.47Å; G73-Q77 PolarHBondContact O-N 3.33Å
74	K	91.1	Very high	91.4	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-48.9	-59.8	-178.3	-63.9	-178.5	-54.4	-68.5	0	112.1	I66 G68 E69 C72 T76 I78 M165 A198	I66-K74 HydrophobicContact CG2-CD 4.02Å; I66-K74 HydrophobicContact CG2-CG 4.32Å; G68-K74 WeakPolarHBondContact O-CE 3.4Å; G68-K74 PolarHBondContact O-NZ 2.81Å; E69-K74 PolarHBondContact O-NZ 2.82Å; C72-K74 VanDerWaalsContact SG-CG 3.52Å; K74-T76 PolarHBondContact O-N 3.5Å; K74-I78 HydrophobicContact CB-CD1 3.87Å; K74-I78 HydrophobicContact CG-CD1 4.26Å; K74-I78 VanDerWaalsContact O-CB 3.25Å; K74-I78 WeakPolarHBondContact O-CB 3.4Å; K74-I78 WeakPolarHBondContact O-CD1 3.19Å; K74-I78 WeakPolarHBondContact O-CG1 3.13Å; K74-I78 PolarHBondContact O-N 3.22Å; K74-I78 VanDerWaalsContact O-N 3.13Å; K74-M165 HydrophobicContact CB-CE 4.14Å; K74-A198 HydrophobicContact CD-CB 4.26Å
75	T	92.1	Very high	91.4	Very high	21 Å²	21	18 Å²	18	13%	0.129	12%	0.116	C	C	.	.	H	α-helix	trans	-66.5	-36.8	-172.3	-33.4	0	0	0	0	113.5	G73 P79 V96 V107 F142 D167	G73-T75 PolarHBondContact O-N 2.85Å; T75-P79 WeakPolarHBondContact O-CD 3.36Å; T75-P79 WeakPolarHBondContact O-CG 3.25Å; T75-V96 HydrophobicContact CG2-CG1 4.23Å; T75-V107 HydrophobicContact CG2-CG1 3.76Å; T75-V107 HydrophobicContact CG2-CG2 4.3Å; T75-F142 HydrophobicContact CG2-CE1 4.18Å; T75-D167 VanDerWaalsContact CB-OD2 3.25Å; T75-D167 WeakPolarHBondContact CB-OD2 3.39Å; T75-D167 WeakPolarHBondContact CG2-OD2 3.45Å; T75-D167 PolarHBondContact OG1-OD2 3.45Å
76	T	92.1	Very high	91.4	Very high	27 Å²	27	20 Å²	20	17%	0.166	14%	0.136	C	C	.	.	H	α-helix	trans	-83	-39.4	-175.9	54.1	0	0	0	0	111.7	G73 K74 Q80 V107 R110 V111	G73-T76 PolarHBondContact O-N 3.13Å; G73-T76 PolarHBondContact O-OG1 2.92Å; K74-T76 PolarHBondContact O-N 3.5Å; T76-Q80 PolarHBondContact O-NE2 2.72Å; T76-V107 HydrophobicContact CG2-CG1 4.22Å; T76-R110 HydrophobicContact CG2-CG 4.37Å; T76-V111 HydrophobicContact CG2-CG2 4.34Å
77	Q	95	Very high	91.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-96.5	-38.3	-169.3	-57.4	-53.1	-62.8	0	0	114.5	R42 L45 V47 G73 Q80 Y81 E114	R42-Q77 VanDerWaalsContact CG-OE1 3.27Å; L45-Q77 HydrophobicContact CD1-CG 3.58Å; V47-Q77 HydrophobicContact CG1-CB 3.79Å; V47-Q77 HydrophobicContact CG1-CG 3.9Å; G73-Q77 WeakPolarHBondContact O-CB 3.42Å; G73-Q77 WeakPolarHBondContact O-CG 3.47Å; G73-Q77 PolarHBondContact O-N 3.33Å; Q77-Q80 WeakPolarHBondContact O-CB 3.35Å; Q77-Q80 PolarHBondContact O-N 3.23Å; Q77-Y81 HydrophobicContact CB-CE1 4.05Å; Q77-Y81 HydrophobicContact CB-CE2 3.84Å; Q77-Y81 WeakPolarHBondContact CB-OH 3.35Å; Q77-Y81 WeakPolarHBondContact O-CD1 3.31Å; Q77-Y81 PolarHBondContact O-N 3.35Å; Q77-E114 PolarHBondContact NE2-OE2 3.47Å
78	I	96.8	Very high	91.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57.4	-45.6	-176.1	-63.5	171.1	0	0	0	112	V47 I54 I66 K74 Q80 Y81 L82 M165 I196	V47-I78 HydrophobicContact CG2-CD1 4.35Å; V47-I78 HydrophobicContact CG2-CG1 4.09Å; I54-I78 HydrophobicContact CD1-CD1 4.41Å; I54-I78 HydrophobicContact CD1-CG1 4.18Å; I54-I78 HydrophobicContact CG2-CG2 4.32Å; I66-I78 HydrophobicContact CD1-CD1 3.68Å; I66-I78 HydrophobicContact CG2-CD1 4.34Å; K74-I78 HydrophobicContact CB-CD1 3.87Å; K74-I78 HydrophobicContact CG-CD1 4.26Å; K74-I78 VanDerWaalsContact O-CB 3.25Å; K74-I78 WeakPolarHBondContact O-CB 3.4Å; K74-I78 WeakPolarHBondContact O-CD1 3.19Å; K74-I78 WeakPolarHBondContact O-CG1 3.13Å; K74-I78 PolarHBondContact O-N 3.22Å; K74-I78 VanDerWaalsContact O-N 3.13Å; I78-Q80 PolarHBondContact O-N 2.96Å; I78-Y81 PolarHBondContact O-N 2.72Å; I78-L82 HydrophobicContact CG2-CD1 4.09Å; I78-L82 HydrophobicContact CG2-CG 4.43Å; I78-L82 WeakPolarHBondContact O-CG 3.4Å; I78-L82 PolarHBondContact O-N 3.01Å; I78-M165 HydrophobicContact CB-SD 4.26Å; I78-M165 HydrophobicContact CD1-CE 4.08Å; I78-M165 HydrophobicContact CG2-SD 4.22Å; I78-I196 HydrophobicContact CG2-CD1 3.87Å
79	P	97.5	Very high	91.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-34.1	177.8	-21.7	34.6	0	0	0	112.7	T75 L83 I94 V96 I140 F142 M165	T75-P79 WeakPolarHBondContact O-CD 3.36Å; T75-P79 WeakPolarHBondContact O-CG 3.25Å; P79-L83 WeakPolarHBondContact O-CB 3.4Å; P79-L83 PolarHBondContact O-N 3.09Å; P79-I94 HydrophobicContact CB-CG2 4.16Å; P79-V96 HydrophobicContact CB-CG2 3.93Å; P79-V96 HydrophobicContact CG-CG2 3.4Å; P79-V96 VanDerWaalsContact CG-CG2 3.4Å; P79-I140 HydrophobicContact CB-CD1 4.2Å; P79-I140 HydrophobicContact CB-CG1 4.42Å; P79-I140 HydrophobicContact CB-CG2 3.83Å; P79-F142 HydrophobicContact CG-CZ 4.37Å; P79-M165 HydrophobicContact CG-SD 4.39Å
80	Q	96.5	Very high	92.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.4	-41.4	176.4	-62.8	-177	67.3	0	0	111.3	T76 Q77 I78 L82 L83 E84 V111 E114 I140	T76-Q80 PolarHBondContact O-NE2 2.72Å; Q77-Q80 WeakPolarHBondContact O-CB 3.35Å; Q77-Q80 PolarHBondContact O-N 3.23Å; I78-Q80 PolarHBondContact O-N 2.96Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 2.98Å; Q80-L83 PolarHBondContact O-N 3.04Å; Q80-E84 WeakPolarHBondContact O-CB 3.24Å; Q80-E84 WeakPolarHBondContact O-CG 3.29Å; Q80-E84 PolarHBondContact O-N 3.3Å; Q80-V111 HydrophobicContact CG-CG1 3.89Å; Q80-E114 PolarHBondContact NE2-OE2 2.68Å; Q80-I140 HydrophobicContact CG-CD1 4.31Å
81	Y	96.9	Very high	92.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-41.7	175.6	-57.1	-24.4	0	0	0	111.8	V47 F48 R51 Q77 I78 E84 A85	V47-Y81 HydrophobicContact CG1-CE2 4.43Å; F48-Y81 WeakPolarHBondContact CA-OH 3.42Å; R51-Y81 HydrophobicContact CB-CD2 4.21Å; R51-Y81 HydrophobicContact CB-CE2 4.03Å; R51-Y81 HydrophobicContact CG-CD1 4.01Å; R51-Y81 HydrophobicContact CG-CD2 3.88Å; R51-Y81 HydrophobicContact CG-CE1 4.24Å; R51-Y81 HydrophobicContact CG-CE2 4.11Å; R51-Y81 HydrophobicContact CG-CG 3.84Å; Q77-Y81 HydrophobicContact CB-CE1 4.05Å; Q77-Y81 HydrophobicContact CB-CE2 3.84Å; Q77-Y81 WeakPolarHBondContact CB-OH 3.35Å; Q77-Y81 WeakPolarHBondContact O-CD1 3.31Å; Q77-Y81 PolarHBondContact O-N 3.35Å; I78-Y81 PolarHBondContact O-N 2.72Å; Y81-E84 PolarHBondContact O-N 2.56Å; Y81-A85 VanDerWaalsContact O-CB 3.31Å; Y81-A85 WeakPolarHBondContact O-CB 3.36Å; Y81-A85 PolarHBondContact O-N 2.96Å
82	L	97.6	Very high	93.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-42.5	176.3	-67.5	170.3	0	0	0	111.6	L55 V58 I78 Q80 A85 G86 W87 I94 V163 I196	L55-L82 HydrophobicContact CD2-CD2 4.25Å; V58-L82 HydrophobicContact CB-CD2 4.46Å; V58-L82 HydrophobicContact CG1-CD2 3.97Å; V58-L82 HydrophobicContact CG2-CD2 4.38Å; I78-L82 HydrophobicContact CG2-CD1 4.09Å; I78-L82 HydrophobicContact CG2-CG 4.43Å; I78-L82 WeakPolarHBondContact O-CG 3.4Å; I78-L82 PolarHBondContact O-N 3.01Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 2.98Å; L82-A85 PolarHBondContact O-N 3.36Å; L82-G86 PolarHBondContact O-N 3.03Å; L82-W87 HydrophobicContact CB-CB 4.21Å; L82-W87 HydrophobicContact CB-CG 4.36Å; L82-W87 HydrophobicContact CD2-CG 4.09Å; L82-W87 WeakPolarHBondContact O-CB 3.48Å; L82-W87 PolarHBondContact O-N 2.8Å; L82-I94 HydrophobicContact CB-CD1 3.63Å; L82-I94 HydrophobicContact CB-CG1 4.22Å; L82-I94 HydrophobicContact CD1-CG2 3.96Å; L82-V163 HydrophobicContact CD1-CB 4.24Å; L82-V163 HydrophobicContact CD1-CG1 3.78Å; L82-V163 HydrophobicContact CD1-CG2 4.46Å; L82-I196 HydrophobicContact CD1-CD1 3.88Å
83	L	96.4	Very high	94.4	Very high	24 Å²	24	30.8 Å²	30.8	13%	0.126	19%	0.187	C	C	.	.	H	α-helix	trans	-61.6	-48.3	176.3	179	62.7	0	0	0	111.2	P79 Q80 A85 G86 A88 I94 R139 I140	P79-L83 WeakPolarHBondContact O-CB 3.4Å; P79-L83 PolarHBondContact O-N 3.09Å; Q80-L83 PolarHBondContact O-N 3.04Å; L83-A85 VanDerWaalsContact C-N 3.26Å; L83-A85 PolarHBondContact O-N 3.32Å; L83-G86 PolarHBondContact O-N 3.04Å; L83-A88 HydrophobicContact CD1-CB 3.46Å; L83-A88 VanDerWaalsContact CD1-CB 3.46Å; L83-I94 HydrophobicContact CB-CD1 3.89Å; L83-I94 VanDerWaalsContact N-CD1 3.32Å; L83-R139 HydrophobicContact CD1-CB 3.78Å; L83-R139 HydrophobicContact CD1-CG 4.39Å; L83-I140 HydrophobicContact CB-CD1 4.06Å; L83-I140 HydrophobicContact CB-CG1 4.33Å; L83-I140 HydrophobicContact CD2-CD1 3.65Å; L83-I140 HydrophobicContact CD2-CG1 4.04Å; L83-I140 HydrophobicContact CG-CD1 4.45Å
84	E	95.4	Very high	94.9	Very high	75 Å²	75	30.4 Å²	30.4	35%	0.35	18%	0.183	S	C	.	.	H	α-helix	trans	-60.3	-34.1	177.1	-71.2	164.3	-167.3	0	0	112.5	R42 R51 Q80 Y81 G86	R42-E84 IonicContact CZ-OE1 3.91Å; R42-E84 IonicContact NH1-OE1 3.38Å; R42-E84 IonicContact NH2-OE1 3.97Å; R42-E84 PolarHBondContact NH2-OE1 3.42Å; R51-E84 IonicContact CZ-OE2 3.19Å; R51-E84 IonicContact NE-OE2 3.13Å; R51-E84 IonicContact NH2-OE2 3.62Å; R51-E84 PolarHBondContact NH2-OE2 2.95Å; Q80-E84 WeakPolarHBondContact O-CB 3.24Å; Q80-E84 WeakPolarHBondContact O-CG 3.29Å; Q80-E84 PolarHBondContact O-N 3.3Å; Y81-E84 PolarHBondContact O-N 2.56Å; E84-G86 PolarHBondContact O-N 3.43Å
85	A	96.1	Very high	95.3	Very high	46 Å²	46	30.2 Å²	30.2	38%	0.38	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	3.3	176.7	0	0	0	0	0	113.7	L55 Y81 L82 L83	L55-A85 HydrophobicContact CD1-CB 4.09Å; L55-A85 HydrophobicContact CD2-CB 3.62Å; L55-A85 HydrophobicContact CG-CB 4.48Å; Y81-A85 VanDerWaalsContact O-CB 3.31Å; Y81-A85 WeakPolarHBondContact O-CB 3.36Å; Y81-A85 PolarHBondContact O-N 2.96Å; L82-A85 PolarHBondContact O-N 3.36Å; L83-A85 VanDerWaalsContact C-N 3.26Å; L83-A85 PolarHBondContact O-N 3.32Å
86	G	96	Very high	95.5	Very high	41 Å²	41	29.2 Å²	29.2	42%	0.423	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	11	173.8	0	0	0	0	0	115.4	L82 L83 E84 A88 A89	L82-G86 PolarHBondContact O-N 3.03Å; L83-G86 PolarHBondContact O-N 3.04Å; E84-G86 PolarHBondContact O-N 3.43Å; G86-A88 PolarHBondContact O-N 3.46Å; G86-A88 VanDerWaalsContact O-N 3.09Å; G86-A89 WeakPolarHBondContact O-CB 3.28Å; G86-A89 PolarHBondContact O-N 2.88Å
87	W	96.3	Very high	95.8	Very high	49 Å²	49	27.9 Å²	27.9	19%	0.186	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.8	178.2	-75.1	91.8	0	0	0	113.7	V58 E59 L82 I94 S162 V163 R194	V58-W87 HydrophobicContact CG1-CH2 4.18Å; V58-W87 HydrophobicContact CG1-CZ2 3.72Å; E59-W87 HydrophobicContact CG-CZ2 3.86Å; L82-W87 HydrophobicContact CB-CB 4.21Å; L82-W87 HydrophobicContact CB-CG 4.36Å; L82-W87 HydrophobicContact CD2-CG 4.09Å; L82-W87 WeakPolarHBondContact O-CB 3.48Å; L82-W87 PolarHBondContact O-N 2.8Å; W87-I94 HydrophobicContact CB-CD1 4.3Å; W87-I94 HydrophobicContact CB-CG1 4.36Å; W87-S162 VanDerWaalsContact O-CB 3.25Å; W87-S162 WeakPolarHBondContact O-CB 3.38Å; W87-S162 PolarHBondContact O-OG 2.88Å; W87-V163 HydrophobicContact CB-CG2 3.98Å; W87-V163 HydrophobicContact CD2-CG2 3.72Å; W87-V163 HydrophobicContact CE3-CG2 3.48Å; W87-V163 VanDerWaalsContact CE3-CG2 3.48Å; W87-V163 HydrophobicContact CG-CG2 3.95Å; W87-V163 HydrophobicContact CZ3-CG2 4.24Å; W87-R194 HydrophobicContact CE3-CG 4.48Å; W87-R194 HydrophobicContact CH2-CG 3.61Å; W87-R194 HydrophobicContact CZ3-CG 3.59Å
88	A	94.6	Very high	95.7	Very high	9 Å²	9	28.1 Å²	28.1	7%	0.074	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	16.2	174.5	0	0	0	0	0	113.5	L83 G86 K92 I94 R139	L83-A88 HydrophobicContact CD1-CB 3.46Å; L83-A88 VanDerWaalsContact CD1-CB 3.46Å; G86-A88 PolarHBondContact O-N 3.46Å; G86-A88 VanDerWaalsContact O-N 3.09Å; A88-K92 WeakPolarHBondContact CA-O 3.34Å; A88-K92 WeakPolarHBondContact CB-O 3.25Å; A88-I94 HydrophobicContact CB-CD1 4.06Å; A88-I94 HydrophobicContact CB-CG1 4.46Å; A88-R139 HydrophobicContact CB-CB 3.91Å; A88-R139 HydrophobicContact CB-CG 4.27Å; A88-R139 WeakPolarHBondContact O-CD 3.25Å
89	A	91.1	Very high	95.3	Very high	56 Å²	56	29.4 Å²	29.4	46%	0.463	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-59.8	162	173.1	0	0	0	0	0	111.6	G86 G91 K92	G86-A89 WeakPolarHBondContact O-CB 3.28Å; G86-A89 PolarHBondContact O-N 2.88Å; A89-G91 PolarHBondContact O-N 3.46Å; A89-K92 WeakPolarHBondContact O-CB 3.27Å; A89-K92 WeakPolarHBondContact O-CG 3.43Å; A89-K92 PolarHBondContact O-N 3.13Å
90	E	89.3	Confident	94.7	Very high	192 Å²	192	32.1 Å²	32.1	90%	0.897	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	56.2	26.1	178.9	-55.7	177.4	-174.9	0	0	114.3	K92	E90-K92 VanDerWaalsContact C-N 3.28Å; E90-K92 PolarHBondContact O-N 3.01Å
91	G	90.3	Very high	94.1	Very high	36 Å²	36	36 Å²	36	37%	0.371	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	75.1	12.9	-178.9	0	0	0	0	0	114.6	A89	A89-G91 PolarHBondContact O-N 3.46Å
92	K	96	Very high	93.2	Very high	56 Å²	56	39.2 Å²	39.2	24%	0.243	22%	0.222	C	C	.	.			trans	-66.3	158.1	171.6	-64.8	-65.5	-175.3	-177.8	0	111.4	A88 A89 E90 R139 K159 K160	A88-K92 WeakPolarHBondContact CA-O 3.34Å; A88-K92 WeakPolarHBondContact CB-O 3.25Å; A89-K92 WeakPolarHBondContact O-CB 3.27Å; A89-K92 WeakPolarHBondContact O-CG 3.43Å; A89-K92 PolarHBondContact O-N 3.13Å; E90-K92 VanDerWaalsContact C-N 3.28Å; E90-K92 PolarHBondContact O-N 3.01Å; K92-R139 WeakPolarHBondContact O-CD 3.35Å; K92-K159 PolarHBondContact NZ-O 3.24Å; K92-K160 WeakPolarHBondContact CA-O 3.34Å
93	V	97.7	Very high	92.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.5	179.9	178.6	0	0	0	0	111	T138 R139 K141 K160 Y161 S162	V93-T138 WeakPolarHBondContact CG2-O 3.34Å; V93-R139 WeakPolarHBondContact CA-O 3.26Å; V93-K141 HydrophobicContact CG1-CB 3.63Å; V93-K160 HydrophobicContact CB-CG 4.32Å; V93-K160 HydrophobicContact CG2-CD 4.27Å; V93-K160 VanDerWaalsContact CG2-CE 3.49Å; V93-K160 HydrophobicContact CG2-CG 3.92Å; V93-K160 PolarHBondContact N-O 3.08Å; V93-Y161 HydrophobicContact CB-CD1 4.04Å; V93-Y161 HydrophobicContact CB-CE1 4.16Å; V93-Y161 HydrophobicContact CG1-CD1 3.99Å; V93-Y161 HydrophobicContact CG1-CE1 3.73Å; V93-Y161 WeakPolarHBondContact O-CA 3.03Å; V93-Y161 WeakPolarHBondContact O-CD1 3.48Å; V93-S162 PolarHBondContact O-N 3.21Å
94	I	98.5	Very high	92.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	110.7	167	-61.8	152.2	0	0	0	106.9	P79 L82 L83 W87 A88 R139 K141	P79-I94 HydrophobicContact CB-CG2 4.16Å; L82-I94 HydrophobicContact CB-CD1 3.63Å; L82-I94 HydrophobicContact CB-CG1 4.22Å; L82-I94 HydrophobicContact CD1-CG2 3.96Å; L83-I94 HydrophobicContact CB-CD1 3.89Å; L83-I94 VanDerWaalsContact N-CD1 3.32Å; W87-I94 HydrophobicContact CB-CD1 4.3Å; W87-I94 HydrophobicContact CB-CG1 4.36Å; A88-I94 HydrophobicContact CB-CD1 4.06Å; A88-I94 HydrophobicContact CB-CG1 4.46Å; I94-R139 PolarHBondContact N-O 2.95Å; I94-K141 PolarHBondContact O-N 3.43Å
95	G	98.1	Very high	91.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.6	179.1	0	0	0	0	0	111.1	K141 V163 L164 M165	G95-K141 CarbonylContact C-O 3.58Å; G95-K141 WeakPolarHBondContact CA-O 3.28Å; G95-V163 PolarHBondContact N-O 2.9Å; G95-L164 CarbonylContact O-C 3.57Å; G95-L164 WeakPolarHBondContact O-CA 3.21Å; G95-M165 PolarHBondContact O-N 2.81Å
96	V	98.3	Very high	91	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	112.5	178.2	-173	0	0	0	0	108.8	T75 P79 K141 F142 L143 M165 D167	T75-V96 HydrophobicContact CG2-CG1 4.23Å; P79-V96 HydrophobicContact CB-CG2 3.93Å; P79-V96 HydrophobicContact CG-CG2 3.4Å; P79-V96 VanDerWaalsContact CG-CG2 3.4Å; V96-K141 PolarHBondContact N-O 3.18Å; V96-F142 HydrophobicContact CB-CD1 3.63Å; V96-F142 HydrophobicContact CB-CE1 3.7Å; V96-F142 HydrophobicContact CB-CG 4.46Å; V96-F142 HydrophobicContact CG1-CD1 3.88Å; V96-F142 HydrophobicContact CG1-CE1 3.76Å; V96-F142 HydrophobicContact CG2-CD1 4.27Å; V96-F142 HydrophobicContact CG2-CE1 3.91Å; V96-F142 HydrophobicContact CG2-CZ 4.39Å; V96-F142 CarbonylContact O-C 3.56Å; V96-F142 WeakPolarHBondContact O-CA 3.39Å; V96-L143 PolarHBondContact O-N 3.38Å; V96-M165 CarbonylContact C-O 3.52Å; V96-M165 WeakPolarHBondContact CA-O 3.47Å; V96-M165 HydrophobicContact CG1-CB 4.28Å; V96-M165 HydrophobicContact CG1-CG 4.27Å; V96-M165 HydrophobicContact CG1-SD 4.08Å; V96-M165 HydrophobicContact CG2-CB 4.32Å; V96-D167 HydrophobicContact CG1-CB 4.42Å
97	T	97.4	Very high	90.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	146.6	179.1	80.5	0	0	0	0	111.8	L143 D145 L148 M165 L166 D167	T97-L143 CarbonylContact C-O 3.6Å; T97-L143 WeakPolarHBondContact CA-O 3.33Å; T97-L143 HydrophobicContact CG2-CD2 4.18Å; T97-L143 HydrophobicContact CG2-CG 4.36Å; T97-D145 WeakPolarHBondContact CB-OD1 3.35Å; T97-D145 PolarHBondContact OG1-OD1 3.23Å; T97-L148 HydrophobicContact CG2-CB 4.06Å; T97-L148 HydrophobicContact CG2-CD2 3.54Å; T97-L148 HydrophobicContact CG2-CG 4.33Å; T97-M165 PolarHBondContact N-O 3.31Å; T97-L166 HydrophobicContact CG2-CD2 3.79Å; T97-L166 WeakPolarHBondContact OG1-CA 3.48Å; T97-L166 WeakPolarHBondContact OG1-CD2 3.23Å; T97-D167 VanDerWaalsContact O-CB 3.31Å; T97-D167 WeakPolarHBondContact O-CB 3.38Å; T97-D167 PolarHBondContact O-N 3.33Å
98	Q	93.1	Very high	90.4	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.019	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.3	173.5	-73.7	-66.4	-33.7	0	0	109.5	R100 A103 A104 L143 T144 D145 D167	Q98-R100 PolarHBondContact O-N 2.81Å; Q98-A103 HydrophobicContact CB-CB 4.46Å; Q98-A103 HydrophobicContact CG-CB 4.42Å; Q98-A104 HydrophobicContact CB-CB 4.01Å; Q98-A104 HydrophobicContact CG-CB 4.33Å; Q98-L143 PolarHBondContact N-O 3.04Å; Q98-T144 VanDerWaalsContact O-CA 3.26Å; Q98-T144 WeakPolarHBondContact O-CA 3.19Å; Q98-D145 PolarHBondContact O-N 3.26Å; Q98-D167 PolarHBondContact NE2-OD2 3.44Å
99	P	88.3	Confident	90.1	Very high	28 Å²	28	32.8 Å²	32.8	18%	0.182	18%	0.18	C	C	.	.	S	Bend	trans	-66.8	-26.4	176.6	25	-32.7	0	0	0	111.9	E168 E171 T173	P99-E168 HydrophobicContact CG-CB 3.76Å; P99-E171 WeakPolarHBondContact CB-OE2 3.38Å; P99-E171 HydrophobicContact CG-CB 4.47Å; P99-E171 HydrophobicContact CG-CG 4.31Å; P99-E171 WeakPolarHBondContact CG-OE2 3.49Å; P99-T173 HydrophobicContact CB-CG2 3.61Å
100	R	85.3	Confident	89.8	Confident	56 Å²	56	31.4 Å²	31.4	21%	0.211	16%	0.163	C	C	.	.	S	Bend	trans	-112.5	133.2	-174.3	-57.6	-175.4	-168.8	-137	10.4	112.3	Q98 V102 A103 A104 E171 S339	Q98-R100 PolarHBondContact O-N 2.81Å; R100-V102 PolarHBondContact O-N 3.5Å; R100-A103 HydrophobicContact CB-CB 4.14Å; R100-A103 PolarHBondContact O-N 2.85Å; R100-A104 PolarHBondContact O-N 3.11Å; R100-A104 VanDerWaalsContact O-N 3.1Å; R100-E171 IonicContact CZ-OE1 3.73Å; R100-E171 IonicContact NE-OE1 3.28Å; R100-E171 PolarHBondContact NE-OE1 3.18Å; R100-E171 IonicContact NE-OE2 3.97Å; R100-E171 PolarHBondContact NE-OE2 2.78Å; R100-E171 IonicContact NH2-OE1 2.69Å; R100-E171 PolarHBondContact NH2-OE1 2.81Å; R100-E171 IonicContact NH2-OE2 2.67Å; R100-S339 VanDerWaalsContact CD-OG 3.3Å; R100-S339 WeakPolarHBondContact CD-OG 3.34Å; R100-S339 PolarHBondContact NE-OG 2.68Å; R100-S339 VanDerWaalsContact NE-OG 3.12Å
101	R	83.3	Confident	90	Very high	82 Å²	82	22.3 Å²	22.3	31%	0.309	12%	0.12	S	C	.	.	H	α-helix	trans	-56.1	-47.8	177.1	-68.9	175.7	69.6	-132.2	-2.9	112.5	A103 A104 I105 I127 T144	R101-A103 VanDerWaalsContact C-N 3.28Å; R101-A103 PolarHBondContact O-N 2.75Å; R101-A104 PolarHBondContact O-N 3.14Å; R101-I105 WeakPolarHBondContact O-CG1 3.05Å; R101-I105 PolarHBondContact O-N 3.49Å; R101-I105 VanDerWaalsContact O-N 3.14Å; R101-I127 HydrophobicContact CB-CD1 4.24Å; R101-I127 HydrophobicContact CG-CB 4.3Å; R101-I127 HydrophobicContact CG-CD1 4.44Å; R101-T144 HydrophobicContact CG-CG2 3.81Å
102	V	78.9	Confident	90.1	Very high	67 Å²	67	20.7 Å²	20.7	41%	0.406	10%	0.103	S	C	.	.	H	α-helix	trans	-61.8	-38.8	-178.5	178.7	0	0	0	0	111.2	R100 S106	R100-V102 PolarHBondContact O-N 3.5Å; V102-S106 VanDerWaalsContact O-CB 3.27Å; V102-S106 WeakPolarHBondContact O-CB 3.39Å; V102-S106 PolarHBondContact O-N 3.27Å; V102-S106 PolarHBondContact O-OG 3.18Å
103	A	83.3	Confident	89.7	Confident	11 Å²	11	21.6 Å²	21.6	9%	0.091	11%	0.108	C	C	.	.	H	α-helix	trans	-66.1	-44.2	177.1	0	0	0	0	0	111.9	Q98 R100 R101 I105 S106 V107	Q98-A103 HydrophobicContact CB-CB 4.46Å; Q98-A103 HydrophobicContact CG-CB 4.42Å; R100-A103 HydrophobicContact CB-CB 4.14Å; R100-A103 PolarHBondContact O-N 2.85Å; R101-A103 VanDerWaalsContact C-N 3.28Å; R101-A103 PolarHBondContact O-N 2.75Å; A103-I105 PolarHBondContact O-N 3.35Å; A103-S106 PolarHBondContact O-N 3.27Å; A103-S106 PolarHBondContact O-OG 3.03Å; A103-V107 VanDerWaalsContact O-CB 3.26Å; A103-V107 WeakPolarHBondContact O-CB 3.32Å; A103-V107 WeakPolarHBondContact O-CG2 3.42Å; A103-V107 PolarHBondContact O-N 3.44Å
104	A	88.3	Confident	89.3	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56.8	-48.5	175.2	0	0	0	0	0	112.6	Q98 R100 R101 A108 I127	Q98-A104 HydrophobicContact CB-CB 4.01Å; Q98-A104 HydrophobicContact CG-CB 4.33Å; R100-A104 PolarHBondContact O-N 3.11Å; R100-A104 VanDerWaalsContact O-N 3.1Å; R101-A104 PolarHBondContact O-N 3.14Å; A104-A108 VanDerWaalsContact O-CB 3.23Å; A104-A108 WeakPolarHBondContact O-CB 3.46Å; A104-A108 PolarHBondContact O-N 3.25Å; A104-A108 VanDerWaalsContact O-N 3.11Å; A104-I127 HydrophobicContact CB-CG2 3.94Å
105	I	85.4	Confident	88.9	Confident	36 Å²	36	26.3 Å²	26.3	19%	0.185	13%	0.127	C	C	.	.	H	α-helix	trans	-67.3	-48.7	-179.3	-52.7	169.4	0	0	0	110.5	P27 R101 A103 A108 N109 Y125 I127	P27-I105 HydrophobicContact CG-CG2 3.8Å; R101-I105 WeakPolarHBondContact O-CG1 3.05Å; R101-I105 PolarHBondContact O-N 3.49Å; R101-I105 VanDerWaalsContact O-N 3.14Å; A103-I105 PolarHBondContact O-N 3.35Å; I105-A108 PolarHBondContact O-N 2.85Å; I105-N109 WeakPolarHBondContact O-CB 3.45Å; I105-N109 PolarHBondContact O-N 2.98Å; I105-Y125 HydrophobicContact CD1-CE2 4.48Å; I105-Y125 HydrophobicContact CG1-CD2 4.03Å; I105-Y125 HydrophobicContact CG1-CE2 3.83Å; I105-Y125 HydrophobicContact CG1-CG 4.46Å; I105-Y125 HydrophobicContact CG2-CD1 4.3Å; I105-Y125 HydrophobicContact CG2-CE1 3.82Å; I105-I127 HydrophobicContact CD1-CD1 3.6Å; I105-I127 HydrophobicContact CG1-CD1 3.83Å
106	S	81.4	Confident	88.5	Confident	25 Å²	25	29.8 Å²	29.8	18%	0.175	16%	0.163	C	C	.	.	H	α-helix	trans	-66.2	-43.1	-174	69.8	0	0	0	0	111.8	V29 V102 A103 N109 R110	V29-S106 WeakPolarHBondContact CG2-O 3.08Å; V102-S106 VanDerWaalsContact O-CB 3.27Å; V102-S106 WeakPolarHBondContact O-CB 3.39Å; V102-S106 PolarHBondContact O-N 3.27Å; V102-S106 PolarHBondContact O-OG 3.18Å; A103-S106 PolarHBondContact O-N 3.27Å; A103-S106 PolarHBondContact O-OG 3.03Å; S106-N109 PolarHBondContact O-N 3.11Å; S106-R110 WeakPolarHBondContact O-CB 3.4Å; S106-R110 PolarHBondContact O-N 3.14Å
107	V	88.7	Confident	88.1	Confident	22 Å²	22	30.9 Å²	30.9	13%	0.133	17%	0.172	C	C	.	.	H	α-helix	trans	-66.7	-41.5	177	177.1	0	0	0	0	111.1	T75 T76 A103 N109 R110 V111 F142	T75-V107 HydrophobicContact CG2-CG1 3.76Å; T75-V107 HydrophobicContact CG2-CG2 4.3Å; T76-V107 HydrophobicContact CG2-CG1 4.22Å; A103-V107 VanDerWaalsContact O-CB 3.26Å; A103-V107 WeakPolarHBondContact O-CB 3.32Å; A103-V107 WeakPolarHBondContact O-CG2 3.42Å; A103-V107 PolarHBondContact O-N 3.44Å; V107-N109 VanDerWaalsContact C-N 3.32Å; V107-N109 PolarHBondContact O-N 3.29Å; V107-R110 PolarHBondContact O-N 2.94Å; V107-V111 HydrophobicContact CG1-CG2 4.17Å; V107-V111 WeakPolarHBondContact O-CB 3.35Å; V107-V111 WeakPolarHBondContact O-CG2 3.37Å; V107-V111 PolarHBondContact O-N 3.15Å; V107-F142 HydrophobicContact CB-CD1 4.41Å; V107-F142 HydrophobicContact CB-CE1 4.33Å; V107-F142 HydrophobicContact CG1-CD1 3.94Å; V107-F142 HydrophobicContact CG1-CE1 3.4Å; V107-F142 VanDerWaalsContact CG1-CE1 3.4Å; V107-F142 HydrophobicContact CG1-CE2 4.43Å; V107-F142 HydrophobicContact CG1-CZ 3.7Å
108	A	92.2	Very high	87.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.8	-45.6	175.6	0	0	0	0	0	111.6	A104 I105 V111 A112 L119 V123 Y125 F142	A104-A108 VanDerWaalsContact O-CB 3.23Å; A104-A108 WeakPolarHBondContact O-CB 3.46Å; A104-A108 PolarHBondContact O-N 3.25Å; A104-A108 VanDerWaalsContact O-N 3.11Å; I105-A108 PolarHBondContact O-N 2.85Å; A108-V111 PolarHBondContact O-N 2.77Å; A108-A112 WeakPolarHBondContact O-CB 3.49Å; A108-A112 PolarHBondContact O-N 2.91Å; A108-L119 HydrophobicContact CB-CD1 3.85Å; A108-V123 WeakPolarHBondContact O-CG1 3.32Å; A108-Y125 HydrophobicContact CB-CD1 4.09Å; A108-Y125 HydrophobicContact CB-CG 4.45Å; A108-F142 VanDerWaalsContact CA-CD2 3.48Å; A108-F142 HydrophobicContact CB-CB 4.06Å; A108-F142 HydrophobicContact CB-CD2 3.55Å; A108-F142 HydrophobicContact CB-CE2 4.35Å; A108-F142 HydrophobicContact CB-CG 4.03Å
109	N	86.9	Confident	87.8	Confident	16 Å²	16	39.1 Å²	39.1	9%	0.086	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-45.2	177.2	-163.5	43.7	0	0	0	111.4	P27 I105 S106 V107 V111 A112 E113 L119	P27-N109 WeakPolarHBondContact CD-ND2 3.49Å; P27-N109 HydrophobicContact CG-CB 3.77Å; P27-N109 PolarHBondContact O-ND2 3.48Å; I105-N109 WeakPolarHBondContact O-CB 3.45Å; I105-N109 PolarHBondContact O-N 2.98Å; S106-N109 PolarHBondContact O-N 3.11Å; V107-N109 VanDerWaalsContact C-N 3.32Å; V107-N109 PolarHBondContact O-N 3.29Å; N109-V111 PolarHBondContact O-N 2.77Å; N109-A112 WeakPolarHBondContact O-CB 3.45Å; N109-A112 PolarHBondContact O-N 3.42Å; N109-E113 PolarHBondContact ND2-OE1 3.08Å; N109-E113 WeakPolarHBondContact O-CG 3.35Å; N109-E113 PolarHBondContact O-N 3.28Å; N109-L119 HydrophobicContact CB-CD2 4.09Å
110	R	85.4	Confident	87.9	Confident	28 Å²	28	38.5 Å²	38.5	11%	0.106	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-43.5	176.6	177.2	60	-175.1	177.3	5.7	113	V29 N31 T76 S106 V107 E113 E114	V29-R110 HydrophobicContact CB-CB 3.88Å; V29-R110 HydrophobicContact CB-CG 4.19Å; V29-R110 HydrophobicContact CG1-CB 4.04Å; V29-R110 HydrophobicContact CG1-CG 3.92Å; V29-R110 HydrophobicContact CG2-CB 3.79Å; N31-R110 PolarHBondContact ND2-NH1 2.97Å; N31-R110 PolarHBondContact ND2-NH2 3.42Å; T76-R110 HydrophobicContact CG2-CG 4.37Å; S106-R110 WeakPolarHBondContact O-CB 3.4Å; S106-R110 PolarHBondContact O-N 3.14Å; V107-R110 PolarHBondContact O-N 2.94Å; R110-E113 PolarHBondContact O-N 3.32Å; R110-E114 IonicContact CZ-OE1 2.77Å; R110-E114 VanDerWaalsContact CZ-OE1 3.26Å; R110-E114 IonicContact NE-OE1 2.72Å; R110-E114 PolarHBondContact NE-OE1 3.21Å; R110-E114 IonicContact NH2-OE1 2.71Å; R110-E114 PolarHBondContact NH2-OE1 2.92Å; R110-E114 WeakPolarHBondContact O-CG 3.45Å; R110-E114 PolarHBondContact O-N 3.43Å
111	V	92.7	Very high	88.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-71.4	-34.5	-179.6	173.6	0	0	0	0	110.8	T76 Q80 V107 A108 N109 E114 R115 V123 I140 F142	T76-V111 HydrophobicContact CG2-CG2 4.34Å; Q80-V111 HydrophobicContact CG-CG1 3.89Å; V107-V111 HydrophobicContact CG1-CG2 4.17Å; V107-V111 WeakPolarHBondContact O-CB 3.35Å; V107-V111 WeakPolarHBondContact O-CG2 3.37Å; V107-V111 PolarHBondContact O-N 3.15Å; A108-V111 PolarHBondContact O-N 2.77Å; N109-V111 PolarHBondContact O-N 2.77Å; V111-E114 PolarHBondContact O-N 3.2Å; V111-R115 HydrophobicContact CG1-CG 4.46Å; V111-R115 WeakPolarHBondContact O-CB 3.47Å; V111-R115 VanDerWaalsContact O-CG 3.24Å; V111-R115 WeakPolarHBondContact O-CG 3.12Å; V111-R115 PolarHBondContact O-N 2.67Å; V111-V123 HydrophobicContact CB-CG1 4.21Å; V111-V123 HydrophobicContact CG1-CG1 4.11Å; V111-V123 HydrophobicContact CG1-CG2 4.08Å; V111-I140 HydrophobicContact CG1-CD1 4.36Å; V111-F142 HydrophobicContact CB-CE2 4.06Å; V111-F142 HydrophobicContact CB-CZ 4.27Å; V111-F142 HydrophobicContact CG1-CE2 4.29Å; V111-F142 HydrophobicContact CG2-CE2 4.17Å; V111-F142 HydrophobicContact CG2-CZ 3.87Å
112	A	92.4	Very high	88.9	Confident	2 Å²	2	39 Å²	39	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-60.5	-47.1	170.7	0	0	0	0	0	111.4	A108 N109 E114 R115 G116 A117 L119 V123	A108-A112 WeakPolarHBondContact O-CB 3.49Å; A108-A112 PolarHBondContact O-N 2.91Å; N109-A112 WeakPolarHBondContact O-CB 3.45Å; N109-A112 PolarHBondContact O-N 3.42Å; A112-E114 PolarHBondContact O-N 3.06Å; A112-R115 PolarHBondContact O-N 3.01Å; A112-G116 PolarHBondContact O-N 2.74Å; A112-A117 CarbonylContact C-O 3.54Å; A112-A117 PolarHBondContact O-N 2.93Å; A112-L119 HydrophobicContact CB-CB 4.18Å; A112-L119 HydrophobicContact CB-CD1 4.23Å; A112-V123 HydrophobicContact CB-CB 4.03Å; A112-V123 HydrophobicContact CB-CG1 4.35Å
113	E	88.1	Confident	89.8	Confident	75 Å²	75	35.9 Å²	35.9	35%	0.35	20%	0.202	S	C	.	.	H	α-helix	trans	-59.3	-46.4	174.5	-71.6	169.7	-168.6	0	0	112.4	N109 R110 R115 G116	N109-E113 PolarHBondContact ND2-OE1 3.08Å; N109-E113 WeakPolarHBondContact O-CG 3.35Å; N109-E113 PolarHBondContact O-N 3.28Å; R110-E113 PolarHBondContact O-N 3.32Å; E113-R115 PolarHBondContact O-N 2.98Å; E113-G116 PolarHBondContact O-N 3.02Å; E113-G116 VanDerWaalsContact O-N 3.1Å
114	E	89.3	Confident	90.5	Very high	16 Å²	16	35.3 Å²	35.3	8%	0.075	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-28	179.2	-74.5	-176.8	-173.1	0	0	113	I38 Q77 Q80 R110 V111 A112	I38-E114 HydrophobicContact CG2-CB 4.02Å; I38-E114 HydrophobicContact CG2-CG 4.07Å; Q77-E114 PolarHBondContact NE2-OE2 3.47Å; Q80-E114 PolarHBondContact NE2-OE2 2.68Å; R110-E114 IonicContact CZ-OE1 2.77Å; R110-E114 VanDerWaalsContact CZ-OE1 3.26Å; R110-E114 IonicContact NE-OE1 2.72Å; R110-E114 PolarHBondContact NE-OE1 3.21Å; R110-E114 IonicContact NH2-OE1 2.71Å; R110-E114 PolarHBondContact NH2-OE1 2.92Å; R110-E114 WeakPolarHBondContact O-CG 3.45Å; R110-E114 PolarHBondContact O-N 3.43Å; V111-E114 PolarHBondContact O-N 3.2Å; A112-E114 PolarHBondContact O-N 3.06Å
115	R	90.5	Very high	90.9	Very high	84 Å²	84	36.5 Å²	36.5	32%	0.317	20%	0.203	S	C	.	.	H	α-helix	trans	-87.7	-10.1	176.6	-71.4	-73.8	-63.2	172.3	0.7	113.5	V111 A112 E113 A117 E122 V123	V111-R115 HydrophobicContact CG1-CG 4.46Å; V111-R115 WeakPolarHBondContact O-CB 3.47Å; V111-R115 VanDerWaalsContact O-CG 3.24Å; V111-R115 WeakPolarHBondContact O-CG 3.12Å; V111-R115 PolarHBondContact O-N 2.67Å; A112-R115 PolarHBondContact O-N 3.01Å; E113-R115 PolarHBondContact O-N 2.98Å; R115-A117 HydrophobicContact CB-CB 4.12Å; R115-A117 PolarHBondContact O-N 2.98Å; R115-E122 IonicContact CZ-OE1 3.78Å; R115-E122 IonicContact CZ-OE2 2.92Å; R115-E122 IonicContact NE-OE1 3.92Å; R115-E122 IonicContact NE-OE2 3.72Å; R115-E122 PolarHBondContact NE-OE2 2.96Å; R115-E122 VanDerWaalsContact NE-OE2 3.14Å; R115-E122 IonicContact NH2-OE1 3.57Å; R115-E122 PolarHBondContact NH2-OE1 2.89Å; R115-E122 IonicContact NH2-OE2 3.03Å; R115-E122 PolarHBondContact NH2-OE2 3.18Å; R115-V123 HydrophobicContact CG-CG2 4.45Å
116	G	88.6	Confident	91.3	Very high	73 Å²	73	34.9 Å²	34.9	75%	0.753	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	26.5	-168.9	0	0	0	0	0	113	A112 E113	A112-G116 PolarHBondContact O-N 2.74Å; E113-G116 PolarHBondContact O-N 3.02Å; E113-G116 VanDerWaalsContact O-N 3.1Å
117	A	90.7	Very high	91.8	Very high	24 Å²	24	33.7 Å²	33.7	20%	0.198	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-101.7	151.1	-178.7	0	0	0	0	0	111.4	A112 R115 E122	A112-A117 CarbonylContact C-O 3.54Å; A112-A117 PolarHBondContact O-N 2.93Å; R115-A117 HydrophobicContact CB-CB 4.12Å; R115-A117 PolarHBondContact O-N 2.98Å; A117-E122 HydrophobicContact CB-CB 4.03Å
118	L	91.3	Very high	91.8	Very high	137 Å²	137	36.7 Å²	36.7	72%	0.717	20%	0.195	S	C	*	.	P	Polyproline II helix	trans	-71.3	128.6	169.1	-167.1	93.2	0	0	0	109.6	G120 H121	L118-G120 PolarHBondContact O-N 3.19Å; L118-H121 HydrophobicContact CB-CB 4.34Å; L118-H121 WeakPolarHBondContact O-CB 3.49Å; L118-H121 PolarHBondContact O-N 2.84Å
119	L	92.1	Very high	91.3	Very high	40 Å²	40	37.2 Å²	37.2	21%	0.209	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-58.1	133.5	171.7	-176.3	64.7	0	0	0	110.2	A108 N109 A112 Y125	A108-L119 HydrophobicContact CB-CD1 3.85Å; N109-L119 HydrophobicContact CB-CD2 4.09Å; A112-L119 HydrophobicContact CB-CB 4.18Å; A112-L119 HydrophobicContact CB-CD1 4.23Å; L119-Y125 HydrophobicContact CD1-CD1 4.25Å; L119-Y125 HydrophobicContact CD2-CD1 4.34Å; L119-Y125 HydrophobicContact CD2-CE1 3.98Å; L119-Y125 HydrophobicContact CG-CE1 4.48Å
120	G	91.9	Very high	91.2	Very high	14 Å²	14	39.3 Å²	39.3	14%	0.144	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	-12.7	-174.2	0	0	0	0	0	114.1	L118 V123 C132 S133 D134	L118-G120 PolarHBondContact O-N 3.19Å; G120-V123 PolarHBondContact N-O 2.76Å; G120-C132 WeakPolarHBondContact CA-O 3.49Å; G120-S133 CarbonylContact O-C 3.58Å; G120-D134 WeakPolarHBondContact O-CB 3.42Å; G120-D134 PolarHBondContact O-N 3.33Å
121	H	94.3	Very high	91.5	Very high	104 Å²	104	42.6 Å²	42.6	48%	0.481	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-100.4	175	-163.5	-98.3	0	0	0	111	L118 V123 A137 T138	L118-H121 HydrophobicContact CB-CB 4.34Å; L118-H121 WeakPolarHBondContact O-CB 3.49Å; L118-H121 PolarHBondContact O-N 2.84Å; H121-V123 PolarHBondContact O-N 3Å; H121-A137 WeakPolarHBondContact NE2-CB 3.41Å; H121-A137 CarbonylContact O-C 3.6Å; H121-T138 WeakPolarHBondContact O-CA 3.34Å; H121-T138 WeakPolarHBondContact O-CB 3.4Å; H121-T138 PolarHBondContact O-N 3.25Å; H121-T138 VanDerWaalsContact O-N 3.12Å; H121-T138 PolarHBondContact O-OG1 3.39Å
122	E	95.5	Very high	91.5	Very high	46 Å²	46	44.3 Å²	44.3	22%	0.215	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-38.2	-179.7	-173.5	-174.5	-140.3	0	0	112.1	R115 A117 R139 I140	R115-E122 IonicContact CZ-OE1 3.78Å; R115-E122 IonicContact CZ-OE2 2.92Å; R115-E122 IonicContact NE-OE1 3.92Å; R115-E122 IonicContact NE-OE2 3.72Å; R115-E122 PolarHBondContact NE-OE2 2.96Å; R115-E122 VanDerWaalsContact NE-OE2 3.14Å; R115-E122 IonicContact NH2-OE1 3.57Å; R115-E122 PolarHBondContact NH2-OE1 2.89Å; R115-E122 IonicContact NH2-OE2 3.03Å; R115-E122 PolarHBondContact NH2-OE2 3.18Å; A117-E122 HydrophobicContact CB-CB 4.03Å; E122-R139 PolarHBondContact O-N 3.47Å; E122-I140 PolarHBondContact O-N 3.25Å; E122-I140 VanDerWaalsContact O-N 3.16Å
123	V	97.6	Very high	91.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.5	177.1	-176.3	0	0	0	0	108.2	A108 V111 A112 R115 G120 H121 I140 F142	A108-V123 WeakPolarHBondContact O-CG1 3.32Å; V111-V123 HydrophobicContact CB-CG1 4.21Å; V111-V123 HydrophobicContact CG1-CG1 4.11Å; V111-V123 HydrophobicContact CG1-CG2 4.08Å; A112-V123 HydrophobicContact CB-CB 4.03Å; A112-V123 HydrophobicContact CB-CG1 4.35Å; R115-V123 HydrophobicContact CG-CG2 4.45Å; G120-V123 PolarHBondContact N-O 2.76Å; H121-V123 PolarHBondContact O-N 3Å; V123-I140 WeakPolarHBondContact CA-O 3.49Å; V123-I140 HydrophobicContact CG2-CB 4.4Å; V123-F142 HydrophobicContact CG1-CD2 4.2Å; V123-F142 HydrophobicContact CG1-CE2 3.95Å
124	G	97.1	Very high	91.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	173.2	-178.6	0	0	0	0	0	112.8	C132 I140 K141 F142	G124-C132 CarbonylContact C-O 3.48Å; G124-C132 WeakPolarHBondContact CA-O 3.44Å; G124-I140 PolarHBondContact N-O 3.43Å; G124-K141 WeakPolarHBondContact O-CA 3.38Å; G124-F142 PolarHBondContact O-N 3.25Å
125	Y	96.4	Very high	92	Very high	24 Å²	24	48.1 Å²	48.1	9%	0.094	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	155	171.6	71.2	-92.3	0	0	0	113.8	I105 A108 L119 I127 D130 C132 F142	I105-Y125 HydrophobicContact CD1-CE2 4.48Å; I105-Y125 HydrophobicContact CG1-CD2 4.03Å; I105-Y125 HydrophobicContact CG1-CE2 3.83Å; I105-Y125 HydrophobicContact CG1-CG 4.46Å; I105-Y125 HydrophobicContact CG2-CD1 4.3Å; I105-Y125 HydrophobicContact CG2-CE1 3.82Å; A108-Y125 HydrophobicContact CB-CD1 4.09Å; A108-Y125 HydrophobicContact CB-CG 4.45Å; L119-Y125 HydrophobicContact CD1-CD1 4.25Å; L119-Y125 HydrophobicContact CD2-CD1 4.34Å; L119-Y125 HydrophobicContact CD2-CE1 3.98Å; L119-Y125 HydrophobicContact CG-CE1 4.48Å; Y125-I127 HydrophobicContact CD2-CG1 4.4Å; Y125-I127 HydrophobicContact CD2-CG2 4.21Å; Y125-I127 HydrophobicContact CE2-CD1 4.24Å; Y125-I127 HydrophobicContact CE2-CG1 4.29Å; Y125-D130 PolarHBondContact OH-OD2 2.95Å; Y125-C132 HydrophobicContact CD1-CB 3.87Å; Y125-C132 HydrophobicContact CD2-CB 4.43Å; Y125-C132 HydrophobicContact CE1-CB 3.38Å; Y125-C132 HydrophobicContact CE2-CB 4.02Å; Y125-C132 HydrophobicContact CG-CB 4.36Å; Y125-C132 VanDerWaalsContact CZ-CB 3.46Å; Y125-C132 PolarHBondContact N-O 3.34Å; Y125-C132 CarbonylContact O-C 3.52Å; Y125-C132 PolarHBondContact O-N 3.47Å; Y125-F142 CarbonylContact C-O 3.58Å; Y125-F142 WeakPolarHBondContact CA-O 3.25Å; Y125-F142 VanDerWaalsContact CB-O 3.28Å; Y125-F142 WeakPolarHBondContact CB-O 3.31Å
126	T	95.1	Very high	92.1	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	119.1	171	-54.7	0	0	0	0	110.9	D131 K141 F142 L143 T144 M147	T126-D131 HydrophobicContact CG2-CB 4.14Å; T126-D131 VanDerWaalsContact OG1-CG 3.31Å; T126-D131 PolarHBondContact OG1-OD1 2.82Å; T126-K141 WeakPolarHBondContact OG1-CE 3.34Å; T126-K141 PolarHBondContact OG1-NZ 3.18Å; T126-F142 PolarHBondContact N-O 2.96Å; T126-L143 WeakPolarHBondContact O-CA 3.44Å; T126-L143 VanDerWaalsContact O-CB 3.31Å; T126-L143 WeakPolarHBondContact O-CB 3.49Å; T126-T144 PolarHBondContact O-N 3.48Å; T126-M147 HydrophobicContact CG2-CB 4.44Å; T126-M147 HydrophobicContact CG2-CE 3.61Å; T126-M147 HydrophobicContact CG2-CG 4.29Å
127	I	91.6	Very high	92.3	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	169.7	175.1	67	-177.7	0	0	0	109.9	R101 A104 I105 Y125 F129 D130 T144	R101-I127 HydrophobicContact CB-CD1 4.24Å; R101-I127 HydrophobicContact CG-CB 4.3Å; R101-I127 HydrophobicContact CG-CD1 4.44Å; A104-I127 HydrophobicContact CB-CG2 3.94Å; I105-I127 HydrophobicContact CD1-CD1 3.6Å; I105-I127 HydrophobicContact CG1-CD1 3.83Å; Y125-I127 HydrophobicContact CD2-CG1 4.4Å; Y125-I127 HydrophobicContact CD2-CG2 4.21Å; Y125-I127 HydrophobicContact CE2-CD1 4.24Å; Y125-I127 HydrophobicContact CE2-CG1 4.29Å; I127-F129 PolarHBondContact O-N 2.8Å; I127-F129 VanDerWaalsContact O-N 3.1Å; I127-D130 CarbonylContact C-O 3.46Å; I127-D130 HydrophobicContact CD1-CB 4.07Å; I127-D130 HydrophobicContact CG1-CB 3.67Å; I127-D130 WeakPolarHBondContact CG1-O 3.21Å; I127-D130 PolarHBondContact N-O 3.13Å; I127-D130 CarbonylContact O-C 3.57Å; I127-D130 PolarHBondContact O-N 3.3Å; I127-T144 HydrophobicContact CB-CG2 4.23Å; I127-T144 HydrophobicContact CG2-CG2 3.77Å
128	R	87.3	Confident	92.6	Very high	84 Å²	84	48 Å²	48	32%	0.317	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	121.5	179.2	-169.3	174.5	169.5	-163.6	-11.5	111	D130 M147 P478	R128-D130 VanDerWaalsContact C-N 3.32Å; R128-M147 HydrophobicContact CB-SD 4.33Å; R128-P478 HydrophobicContact CG-CB 4.28Å; R128-P478 PolarHBondContact NE-O 3.05Å; R128-P478 PolarHBondContact NH2-O 3.41Å
129	F	82.9	Confident	92.9	Very high	11 Å²	11	44.4 Å²	44.4	5%	0.048	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	12.1	-177	-47.9	-69.3	0	0	0	117.1	I127 P478 L479 Q507 V572 Q575 L576	I127-F129 PolarHBondContact O-N 2.8Å; I127-F129 VanDerWaalsContact O-N 3.1Å; F129-P478 HydrophobicContact CD1-CG 4.47Å; F129-P478 HydrophobicContact CE1-CB 4.44Å; F129-P478 HydrophobicContact CE1-CG 3.57Å; F129-P478 HydrophobicContact CZ-CB 4.41Å; F129-P478 HydrophobicContact CZ-CG 3.88Å; F129-L479 HydrophobicContact CZ-CD2 4.18Å; F129-Q507 HydrophobicContact CE2-CG 4.41Å; F129-V572 HydrophobicContact CB-CG2 3.96Å; F129-V572 HydrophobicContact CD1-CB 4.47Å; F129-V572 HydrophobicContact CD1-CG1 4.14Å; F129-V572 HydrophobicContact CD1-CG2 4.22Å; F129-V572 HydrophobicContact CD2-CG1 4.38Å; F129-V572 HydrophobicContact CD2-CG2 3.78Å; F129-V572 HydrophobicContact CE1-CG1 3.91Å; F129-V572 HydrophobicContact CE2-CG1 4.16Å; F129-V572 HydrophobicContact CE2-CG2 4.31Å; F129-V572 HydrophobicContact CG-CB 4.48Å; F129-V572 HydrophobicContact CG-CG1 4.39Å; F129-V572 HydrophobicContact CG-CG2 3.76Å; F129-V572 HydrophobicContact CZ-CG1 3.93Å; F129-Q575 VanDerWaalsContact CA-OE1 3.23Å; F129-Q575 HydrophobicContact CD1-CB 4.43Å; F129-Q575 VanDerWaalsContact CD1-OE1 3.28Å; F129-Q575 PolarHBondContact O-NE2 3.18Å; F129-L576 HydrophobicContact CE1-CD2 4.2Å; F129-L576 HydrophobicContact CE1-CG 4.5Å
130	D	84.3	Confident	93.2	Very high	61 Å²	61	42.5 Å²	42.5	33%	0.326	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	117.8	-177.5	-178.1	12.7	0	0	0	110.2	Y125 I127 R128	Y125-D130 PolarHBondContact OH-OD2 2.95Å; I127-D130 CarbonylContact C-O 3.46Å; I127-D130 HydrophobicContact CD1-CB 4.07Å; I127-D130 HydrophobicContact CG1-CB 3.67Å; I127-D130 WeakPolarHBondContact CG1-O 3.21Å; I127-D130 PolarHBondContact N-O 3.13Å; I127-D130 CarbonylContact O-C 3.57Å; I127-D130 PolarHBondContact O-N 3.3Å; R128-D130 VanDerWaalsContact C-N 3.32Å
131	D	91.4	Very high	93.5	Very high	96 Å²	96	42.5 Å²	42.5	51%	0.513	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	112.8	-176	-167.9	-1.6	0	0	0	109.4	T126 S133	T126-D131 HydrophobicContact CG2-CB 4.14Å; T126-D131 VanDerWaalsContact OG1-CG 3.31Å; T126-D131 PolarHBondContact OG1-OD1 2.82Å; D131-S133 PolarHBondContact OD1-N 3.02Å; D131-S133 PolarHBondContact OD1-OG 3.22Å
132	C	93.1	Very high	93.7	Very high	37 Å²	37	37.6 Å²	37.6	25%	0.25	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	70.8	177.8	-173.9	0	0	0	0	107.4	G120 G124 Y125	G120-C132 WeakPolarHBondContact CA-O 3.49Å; G124-C132 CarbonylContact C-O 3.48Å; G124-C132 WeakPolarHBondContact CA-O 3.44Å; Y125-C132 HydrophobicContact CD1-CB 3.87Å; Y125-C132 HydrophobicContact CD2-CB 4.43Å; Y125-C132 HydrophobicContact CE1-CB 3.38Å; Y125-C132 HydrophobicContact CE2-CB 4.02Å; Y125-C132 HydrophobicContact CG-CB 4.36Å; Y125-C132 VanDerWaalsContact CZ-CB 3.46Å; Y125-C132 PolarHBondContact N-O 3.34Å; Y125-C132 CarbonylContact O-C 3.52Å; Y125-C132 PolarHBondContact O-N 3.47Å
133	S	94.7	Very high	93.8	Very high	31 Å²	31	35.4 Å²	35.4	22%	0.217	18%	0.183	C	C	.	.			trans	-147.7	148.3	176.6	66.2	0	0	0	0	111	G120 D131	G120-S133 CarbonylContact O-C 3.58Å; D131-S133 PolarHBondContact OD1-N 3.02Å; D131-S133 PolarHBondContact OD1-OG 3.22Å
134	D	94.8	Very high	93.7	Very high	58 Å²	58	36 Å²	36	31%	0.31	19%	0.187	S	C	.	.			trans	-98.4	125.7	174.9	-174.2	-70.4	0	0	0	109.4	G120 H136 A137 T138	G120-D134 WeakPolarHBondContact O-CB 3.42Å; G120-D134 PolarHBondContact O-N 3.33Å; D134-H136 PolarHBondContact O-N 2.91Å; D134-H136 VanDerWaalsContact O-N 3.13Å; D134-H136 WeakPolarHBondContact OD1-CA 3.45Å; D134-H136 PolarHBondContact OD1-N 3.35Å; D134-A137 HydrophobicContact CB-CB 3.91Å; D134-A137 PolarHBondContact OD1-N 2.88Å; D134-T138 PolarHBondContact N-OG1 2.91Å; D134-T138 VanDerWaalsContact O-CB 3.24Å; D134-T138 WeakPolarHBondContact O-CB 3.25Å; D134-T138 PolarHBondContact O-N 3.22Å; D134-T138 VanDerWaalsContact O-N 3.09Å; D134-T138 PolarHBondContact O-OG1 3.48Å
135	P	90.9	Very high	93.6	Very high	84 Å²	84	36.2 Å²	36.2	55%	0.545	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.4	-178.3	-27.1	35.3	0	0	0	114.8	K160	P135-K160 PolarHBondContact O-NZ 2.96Å
136	H	91.8	Very high	93.4	Very high	156 Å²	156	36.1 Å²	36.1	72%	0.722	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106	-31.6	-173.2	-61	-69.2	0	0	0	113.4	D134 R139	D134-H136 PolarHBondContact O-N 2.91Å; D134-H136 VanDerWaalsContact O-N 3.13Å; D134-H136 WeakPolarHBondContact OD1-CA 3.45Å; D134-H136 PolarHBondContact OD1-N 3.35Å; H136-R139 VanDerWaalsContact O-CZ 3.29Å; H136-R139 PolarHBondContact O-NH1 2.79Å; H136-R139 PolarHBondContact O-NH2 3.43Å
137	A	94.3	Very high	93.4	Very high	20 Å²	20	37.1 Å²	37.1	17%	0.165	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-30.8	-177.1	0	0	0	0	0	113.9	H121 D134 R139	H121-A137 WeakPolarHBondContact NE2-CB 3.41Å; H121-A137 CarbonylContact O-C 3.6Å; D134-A137 HydrophobicContact CB-CB 3.91Å; D134-A137 PolarHBondContact OD1-N 2.88Å; A137-R139 PolarHBondContact O-N 3.36Å; A137-R139 PolarHBondContact O-NH1 3.41Å
138	T	97.1	Very high	93.6	Very high	2 Å²	2	37 Å²	37	1%	0.012	20%	0.198	C	C	.	.			trans	-66.6	129.5	-177.3	-59.5	0	0	0	0	111.7	V93 H121 D134 I140 K141	V93-T138 WeakPolarHBondContact CG2-O 3.34Å; H121-T138 WeakPolarHBondContact O-CA 3.34Å; H121-T138 WeakPolarHBondContact O-CB 3.4Å; H121-T138 PolarHBondContact O-N 3.25Å; H121-T138 VanDerWaalsContact O-N 3.12Å; H121-T138 PolarHBondContact O-OG1 3.39Å; D134-T138 PolarHBondContact N-OG1 2.91Å; D134-T138 VanDerWaalsContact O-CB 3.24Å; D134-T138 WeakPolarHBondContact O-CB 3.25Å; D134-T138 PolarHBondContact O-N 3.22Å; D134-T138 VanDerWaalsContact O-N 3.09Å; D134-T138 PolarHBondContact O-OG1 3.48Å; T138-I140 VanDerWaalsContact CG2-O 3.3Å; T138-I140 WeakPolarHBondContact CG2-O 3.35Å; T138-K141 HydrophobicContact CG2-CB 4.11Å
139	R	97.6	Very high	93.9	Very high	62 Å²	62	33 Å²	33	23%	0.234	18%	0.183	C	C	.	.			trans	-119.6	-30.9	178.3	-64.9	-65.4	173.9	-83.3	-5	112.3	L83 A88 K92 V93 I94 E122 H136 A137	L83-R139 HydrophobicContact CD1-CB 3.78Å; L83-R139 HydrophobicContact CD1-CG 4.39Å; A88-R139 HydrophobicContact CB-CB 3.91Å; A88-R139 HydrophobicContact CB-CG 4.27Å; A88-R139 WeakPolarHBondContact O-CD 3.25Å; K92-R139 WeakPolarHBondContact O-CD 3.35Å; V93-R139 WeakPolarHBondContact CA-O 3.26Å; I94-R139 PolarHBondContact N-O 2.95Å; E122-R139 PolarHBondContact O-N 3.47Å; H136-R139 VanDerWaalsContact O-CZ 3.29Å; H136-R139 PolarHBondContact O-NH1 2.79Å; H136-R139 PolarHBondContact O-NH2 3.43Å; A137-R139 PolarHBondContact O-N 3.36Å; A137-R139 PolarHBondContact O-NH1 3.41Å
140	I	98.3	Very high	94.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.8	169.2	-60.5	172.2	0	0	0	108.1	P79 Q80 L83 V111 E122 V123 G124 T138 F142	P79-I140 HydrophobicContact CB-CD1 4.2Å; P79-I140 HydrophobicContact CB-CG1 4.42Å; P79-I140 HydrophobicContact CB-CG2 3.83Å; Q80-I140 HydrophobicContact CG-CD1 4.31Å; L83-I140 HydrophobicContact CB-CD1 4.06Å; L83-I140 HydrophobicContact CB-CG1 4.33Å; L83-I140 HydrophobicContact CD2-CD1 3.65Å; L83-I140 HydrophobicContact CD2-CG1 4.04Å; L83-I140 HydrophobicContact CG-CD1 4.45Å; V111-I140 HydrophobicContact CG1-CD1 4.36Å; E122-I140 PolarHBondContact O-N 3.25Å; E122-I140 VanDerWaalsContact O-N 3.16Å; V123-I140 WeakPolarHBondContact CA-O 3.49Å; V123-I140 HydrophobicContact CG2-CB 4.4Å; G124-I140 PolarHBondContact N-O 3.43Å; T138-I140 VanDerWaalsContact CG2-O 3.3Å; T138-I140 WeakPolarHBondContact CG2-O 3.35Å; I140-F142 HydrophobicContact CG2-CD2 4.17Å; I140-F142 HydrophobicContact CG2-CE2 3.52Å; I140-F142 HydrophobicContact CG2-CZ 3.93Å
141	K	98.3	Very high	94.8	Very high	14 Å²	14	34.6 Å²	34.6	6%	0.061	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	115.5	-177.2	-172.6	174.6	-179.5	176.3	0	110.9	V93 I94 G95 V96 G124 T126 T138 E151	V93-K141 HydrophobicContact CG1-CB 3.63Å; I94-K141 PolarHBondContact O-N 3.43Å; G95-K141 CarbonylContact C-O 3.58Å; G95-K141 WeakPolarHBondContact CA-O 3.28Å; V96-K141 PolarHBondContact N-O 3.18Å; G124-K141 WeakPolarHBondContact O-CA 3.38Å; T126-K141 WeakPolarHBondContact OG1-CE 3.34Å; T126-K141 PolarHBondContact OG1-NZ 3.18Å; T138-K141 HydrophobicContact CG2-CB 4.11Å; K141-E151 IonicContact NZ-OE1 2.61Å; K141-E151 PolarHBondContact NZ-OE1 2.97Å
142	F	98.1	Very high	94.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.1	171.4	-66.4	-86.9	0	0	0	110	T75 P79 V96 V107 A108 V111 V123 G124 Y125 T126 I140	T75-F142 HydrophobicContact CG2-CE1 4.18Å; P79-F142 HydrophobicContact CG-CZ 4.37Å; V96-F142 HydrophobicContact CB-CD1 3.63Å; V96-F142 HydrophobicContact CB-CE1 3.7Å; V96-F142 HydrophobicContact CB-CG 4.46Å; V96-F142 HydrophobicContact CG1-CD1 3.88Å; V96-F142 HydrophobicContact CG1-CE1 3.76Å; V96-F142 HydrophobicContact CG2-CD1 4.27Å; V96-F142 HydrophobicContact CG2-CE1 3.91Å; V96-F142 HydrophobicContact CG2-CZ 4.39Å; V96-F142 CarbonylContact O-C 3.56Å; V96-F142 WeakPolarHBondContact O-CA 3.39Å; V107-F142 HydrophobicContact CB-CD1 4.41Å; V107-F142 HydrophobicContact CB-CE1 4.33Å; V107-F142 HydrophobicContact CG1-CD1 3.94Å; V107-F142 HydrophobicContact CG1-CE1 3.4Å; V107-F142 VanDerWaalsContact CG1-CE1 3.4Å; V107-F142 HydrophobicContact CG1-CE2 4.43Å; V107-F142 HydrophobicContact CG1-CZ 3.7Å; A108-F142 VanDerWaalsContact CA-CD2 3.48Å; A108-F142 HydrophobicContact CB-CB 4.06Å; A108-F142 HydrophobicContact CB-CD2 3.55Å; A108-F142 HydrophobicContact CB-CE2 4.35Å; A108-F142 HydrophobicContact CB-CG 4.03Å; V111-F142 HydrophobicContact CB-CE2 4.06Å; V111-F142 HydrophobicContact CB-CZ 4.27Å; V111-F142 HydrophobicContact CG1-CE2 4.29Å; V111-F142 HydrophobicContact CG2-CE2 4.17Å; V111-F142 HydrophobicContact CG2-CZ 3.87Å; V123-F142 HydrophobicContact CG1-CD2 4.2Å; V123-F142 HydrophobicContact CG1-CE2 3.95Å; G124-F142 PolarHBondContact O-N 3.25Å; Y125-F142 CarbonylContact C-O 3.58Å; Y125-F142 WeakPolarHBondContact CA-O 3.25Å; Y125-F142 VanDerWaalsContact CB-O 3.28Å; Y125-F142 WeakPolarHBondContact CB-O 3.31Å; T126-F142 PolarHBondContact N-O 2.96Å; I140-F142 HydrophobicContact CG2-CD2 4.17Å; I140-F142 HydrophobicContact CG2-CE2 3.52Å; I140-F142 HydrophobicContact CG2-CZ 3.93Å
143	L	97.3	Very high	94.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	155.3	-178.6	66.8	171.4	0	0	0	112.1	V96 T97 Q98 T126 M147 L148	V96-L143 PolarHBondContact O-N 3.38Å; T97-L143 CarbonylContact C-O 3.6Å; T97-L143 WeakPolarHBondContact CA-O 3.33Å; T97-L143 HydrophobicContact CG2-CD2 4.18Å; T97-L143 HydrophobicContact CG2-CG 4.36Å; Q98-L143 PolarHBondContact N-O 3.04Å; T126-L143 WeakPolarHBondContact O-CA 3.44Å; T126-L143 VanDerWaalsContact O-CB 3.31Å; T126-L143 WeakPolarHBondContact O-CB 3.49Å; L143-M147 HydrophobicContact CB-CB 4.41Å; L143-L148 HydrophobicContact CD1-CB 3.8Å; L143-L148 HydrophobicContact CD1-CD1 4.17Å; L143-L148 HydrophobicContact CG-CB 4.34Å
144	T	95.4	Very high	94.6	Very high	14 Å²	14	33.3 Å²	33.3	9%	0.086	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	149.6	170.3	47.6	0	0	0	0	111.1	Q98 R101 T126 I127 G146 M147 L148	Q98-T144 VanDerWaalsContact O-CA 3.26Å; Q98-T144 WeakPolarHBondContact O-CA 3.19Å; R101-T144 HydrophobicContact CG-CG2 3.81Å; T126-T144 PolarHBondContact O-N 3.48Å; I127-T144 HydrophobicContact CB-CG2 4.23Å; I127-T144 HydrophobicContact CG2-CG2 3.77Å; T144-G146 PolarHBondContact O-N 2.65Å; T144-G146 VanDerWaalsContact O-N 3.14Å; T144-M147 WeakPolarHBondContact O-CA 3.46Å; T144-M147 WeakPolarHBondContact O-CB 3.48Å; T144-M147 PolarHBondContact O-N 3.29Å; T144-M147 VanDerWaalsContact OG1-CG 3.3Å; T144-M147 WeakPolarHBondContact OG1-CG 3.2Å; T144-L148 PolarHBondContact O-N 3.31Å; T144-L148 VanDerWaalsContact O-N 3.17Å
145	D	94.4	Very high	94.5	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-50.2	-43.2	179.5	-58.8	-25.7	0	0	0	112.8	T97 Q98 M147 L148 V149 T173 T176	T97-D145 WeakPolarHBondContact CB-OD1 3.35Å; T97-D145 PolarHBondContact OG1-OD1 3.23Å; Q98-D145 PolarHBondContact O-N 3.26Å; D145-M147 VanDerWaalsContact C-N 3.3Å; D145-M147 PolarHBondContact O-N 3.38Å; D145-L148 WeakPolarHBondContact O-CB 3.49Å; D145-L148 PolarHBondContact O-N 3.38Å; D145-V149 PolarHBondContact O-N 3.04Å; D145-V149 VanDerWaalsContact O-N 3.12Å; D145-T173 PolarHBondContact OD2-OG1 3.32Å; D145-T176 PolarHBondContact OD2-OG1 2.69Å
146	G	92.9	Very high	94.6	Very high	21 Å²	21	32.5 Å²	32.5	22%	0.216	18%	0.181	C	C	.	.	H	α-helix	trans	-66.4	-27.5	177.4	0	0	0	0	0	114.4	T144 R150	T144-G146 PolarHBondContact O-N 2.65Å; T144-G146 VanDerWaalsContact O-N 3.14Å; G146-R150 WeakPolarHBondContact O-CB 3.34Å; G146-R150 PolarHBondContact O-N 3.19Å
147	M	94.7	Very high	94.8	Very high	23 Å²	23	28.2 Å²	28.2	11%	0.113	16%	0.163	C	C	.	.	H	α-helix	trans	-74.4	-33.8	173	-71.4	-52.6	-63.1	0	0	111.5	T126 R128 L143 T144 D145 R150 E151	T126-M147 HydrophobicContact CG2-CB 4.44Å; T126-M147 HydrophobicContact CG2-CE 3.61Å; T126-M147 HydrophobicContact CG2-CG 4.29Å; R128-M147 HydrophobicContact CB-SD 4.33Å; L143-M147 HydrophobicContact CB-CB 4.41Å; T144-M147 WeakPolarHBondContact O-CA 3.46Å; T144-M147 WeakPolarHBondContact O-CB 3.48Å; T144-M147 PolarHBondContact O-N 3.29Å; T144-M147 VanDerWaalsContact OG1-CG 3.3Å; T144-M147 WeakPolarHBondContact OG1-CG 3.2Å; D145-M147 VanDerWaalsContact C-N 3.3Å; D145-M147 PolarHBondContact O-N 3.38Å; M147-R150 WeakPolarHBondContact O-CB 3.47Å; M147-R150 PolarHBondContact O-N 2.85Å; M147-E151 WeakPolarHBondContact O-CG 3.47Å; M147-E151 PolarHBondContact O-N 3.11Å
148	L	96.1	Very high	94.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-48.2	172.3	178.7	65.9	0	0	0	110.9	T97 L143 T144 D145 R150 E151 M152 L158 L164 L166 A179 L183	T97-L148 HydrophobicContact CG2-CB 4.06Å; T97-L148 HydrophobicContact CG2-CD2 3.54Å; T97-L148 HydrophobicContact CG2-CG 4.33Å; L143-L148 HydrophobicContact CD1-CB 3.8Å; L143-L148 HydrophobicContact CD1-CD1 4.17Å; L143-L148 HydrophobicContact CG-CB 4.34Å; T144-L148 PolarHBondContact O-N 3.31Å; T144-L148 VanDerWaalsContact O-N 3.17Å; D145-L148 WeakPolarHBondContact O-CB 3.49Å; D145-L148 PolarHBondContact O-N 3.38Å; L148-R150 PolarHBondContact O-N 3.36Å; L148-E151 PolarHBondContact O-N 3.14Å; L148-E151 VanDerWaalsContact O-N 3.14Å; L148-M152 HydrophobicContact CD2-CE 4.1Å; L148-M152 HydrophobicContact CG-CE 4.02Å; L148-M152 WeakPolarHBondContact O-CG 3.27Å; L148-M152 PolarHBondContact O-N 3.04Å; L148-L158 HydrophobicContact CD1-CD1 3.89Å; L148-L158 HydrophobicContact CD1-CD2 4.25Å; L148-L164 HydrophobicContact CD1-CD1 4.34Å; L148-L164 HydrophobicContact CD1-CD2 3.91Å; L148-L166 HydrophobicContact CD2-CD2 4.11Å; L148-A179 HydrophobicContact CD2-CB 4.22Å; L148-L183 HydrophobicContact CD2-CD1 4.47Å
149	V	94.4	Very high	94.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.1	-37	176.4	175.9	0	0	0	0	111	D145 M152 M153 Y175 I178 A179 L182	D145-V149 PolarHBondContact O-N 3.04Å; D145-V149 VanDerWaalsContact O-N 3.12Å; V149-M152 WeakPolarHBondContact O-CB 3.41Å; V149-M152 PolarHBondContact O-N 3.33Å; V149-M153 PolarHBondContact O-N 3.44Å; V149-Y175 HydrophobicContact CB-CD1 4.36Å; V149-Y175 HydrophobicContact CG2-CD1 4.2Å; V149-I178 HydrophobicContact CG1-CG2 4.38Å; V149-I178 HydrophobicContact CG2-CG2 4.1Å; V149-A179 HydrophobicContact CG2-CB 4.28Å; V149-L182 HydrophobicContact CG1-CD1 4.32Å; V149-L182 HydrophobicContact CG2-CD1 4.46Å
150	R	91.3	Very high	94.6	Very high	59 Å²	59	33.7 Å²	33.7	22%	0.223	19%	0.185	C	C	.	.	H	α-helix	trans	-66.8	-40.5	175.3	-168.2	174.7	-166.7	-169.1	1.4	112.8	G146 M147 L148 M152 M153 E476	G146-R150 WeakPolarHBondContact O-CB 3.34Å; G146-R150 PolarHBondContact O-N 3.19Å; M147-R150 WeakPolarHBondContact O-CB 3.47Å; M147-R150 PolarHBondContact O-N 2.85Å; L148-R150 PolarHBondContact O-N 3.36Å; R150-M152 VanDerWaalsContact C-N 3.27Å; R150-M152 PolarHBondContact O-N 3.05Å; R150-M153 WeakPolarHBondContact O-CB 3.22Å; R150-M153 PolarHBondContact O-N 2.73Å; R150-M153 VanDerWaalsContact O-N 3.07Å; R150-E476 PolarHBondContact NH2-O 2.95Å
151	E	93.8	Very high	94.6	Very high	45 Å²	45	33.9 Å²	33.9	21%	0.21	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-35.9	173.6	-74.8	-174.5	-175	0	0	111.5	K141 M147 L148 M153 A154 D155 L158 Y161	K141-E151 IonicContact NZ-OE1 2.61Å; K141-E151 PolarHBondContact NZ-OE1 2.97Å; M147-E151 WeakPolarHBondContact O-CG 3.47Å; M147-E151 PolarHBondContact O-N 3.11Å; L148-E151 PolarHBondContact O-N 3.14Å; L148-E151 VanDerWaalsContact O-N 3.14Å; E151-M153 PolarHBondContact O-N 2.72Å; E151-A154 PolarHBondContact O-N 3.45Å; E151-D155 PolarHBondContact O-N 2.79Å; E151-L158 HydrophobicContact CB-CD2 4.25Å; E151-Y161 WeakPolarHBondContact OE2-CE2 3.41Å; E151-Y161 VanDerWaalsContact OE2-CZ 3.26Å; E151-Y161 PolarHBondContact OE2-OH 3.29Å
152	M	94.6	Very high	94.6	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.015	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-27.3	172.2	-65	171.6	178.3	0	0	112.8	L148 V149 R150 A154 D155 P156 L158 L182 L183 I186 L428	L148-M152 HydrophobicContact CD2-CE 4.1Å; L148-M152 HydrophobicContact CG-CE 4.02Å; L148-M152 WeakPolarHBondContact O-CG 3.27Å; L148-M152 PolarHBondContact O-N 3.04Å; V149-M152 WeakPolarHBondContact O-CB 3.41Å; V149-M152 PolarHBondContact O-N 3.33Å; R150-M152 VanDerWaalsContact C-N 3.27Å; R150-M152 PolarHBondContact O-N 3.05Å; M152-A154 VanDerWaalsContact C-N 3.31Å; M152-D155 WeakPolarHBondContact CA-O 3.45Å; M152-D155 CarbonylContact O-C 3.38Å; M152-P156 WeakPolarHBondContact O-CA 3.3Å; M152-P156 WeakPolarHBondContact O-CG 3.42Å; M152-P156 VanDerWaalsContact O-N 3.09Å; M152-L158 HydrophobicContact CE-CD1 3.52Å; M152-L158 HydrophobicContact CG-CD1 3.67Å; M152-L158 HydrophobicContact CG-CD2 3.79Å; M152-L158 HydrophobicContact CG-CG 3.81Å; M152-L158 HydrophobicContact SD-CD1 4.41Å; M152-L182 HydrophobicContact CE-CB 4.1Å; M152-L182 HydrophobicContact SD-CB 3.73Å; M152-L182 HydrophobicContact SD-CD1 3.52Å; M152-L182 VanDerWaalsContact SD-CD1 3.52Å; M152-L182 HydrophobicContact SD-CG 4.22Å; M152-L183 HydrophobicContact CE-CD2 3.93Å; M152-L183 HydrophobicContact CE-CG 3.84Å; M152-I186 HydrophobicContact CE-CD1 4.08Å; M152-I186 HydrophobicContact CG-CD1 4.44Å; M152-I186 HydrophobicContact SD-CD1 4.34Å; M152-L428 HydrophobicContact CB-CD2 4.18Å; M152-L428 VanDerWaalsContact O-CD2 3.31Å; M152-L428 WeakPolarHBondContact O-CD2 3.24Å
153	M	89.9	Confident	94.6	Very high	42 Å²	42	33.8 Å²	33.8	21%	0.207	19%	0.187	C	C	.	.	H	α-helix	trans	-69.7	-31.1	175.3	-61.3	-178.1	66.2	0	0	112.3	V149 R150 E151 Q424 A427 L428 A475	V149-M153 PolarHBondContact O-N 3.44Å; R150-M153 WeakPolarHBondContact O-CB 3.22Å; R150-M153 PolarHBondContact O-N 2.73Å; R150-M153 VanDerWaalsContact O-N 3.07Å; E151-M153 PolarHBondContact O-N 2.72Å; M153-Q424 HydrophobicContact SD-CG 4.15Å; M153-A427 HydrophobicContact CE-CB 3.81Å; M153-L428 HydrophobicContact CB-CD2 4.41Å; M153-L428 HydrophobicContact CG-CD2 4.03Å; M153-L428 HydrophobicContact CG-CG 4.3Å; M153-A475 HydrophobicContact CE-CB 3.82Å; M153-A475 WeakPolarHBondContact CE-O 3.5Å
154	A	89.9	Confident	94.6	Very high	92 Å²	92	33.8 Å²	33.8	76%	0.76	19%	0.187	S	C	*	.	H	α-helix	trans	-88.2	-38.3	177.1	0	0	0	0	0	112.3	E151 M152	E151-A154 PolarHBondContact O-N 3.45Å; M152-A154 VanDerWaalsContact C-N 3.31Å
155	D	93.8	Very high	94.7	Very high	47 Å²	47	33.1 Å²	33.1	25%	0.251	18%	0.183	S	C	.	.			trans	-131	88.2	175.8	179.3	10.2	0	0	0	110.3	E151 M152 L157 L158 K159	E151-D155 PolarHBondContact O-N 2.79Å; M152-D155 WeakPolarHBondContact CA-O 3.45Å; M152-D155 CarbonylContact O-C 3.38Å; D155-L157 PolarHBondContact O-N 3.17Å; D155-L157 PolarHBondContact OD1-N 2.79Å; D155-L158 PolarHBondContact O-N 3.3Å; D155-L158 PolarHBondContact OD1-N 2.91Å; D155-L158 WeakPolarHBondContact OD2-CA 3.46Å; D155-K159 PolarHBondContact OD2-N 3.34Å
156	P	93.4	Very high	94.9	Very high	79 Å²	79	33 Å²	33	51%	0.513	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-16.9	-176.9	-27	35.2	0	0	0	115.6	M152 I186	M152-P156 WeakPolarHBondContact O-CA 3.3Å; M152-P156 WeakPolarHBondContact O-CG 3.42Å; M152-P156 VanDerWaalsContact O-N 3.09Å; P156-I186 WeakPolarHBondContact O-CD1 3.19Å; P156-I186 WeakPolarHBondContact O-CG1 3.43Å
157	L	94.9	Very high	94.9	Very high	65 Å²	65	32 Å²	32	34%	0.34	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-2.1	178.6	-66.7	-179.7	0	0	0	113.3	D155 K159 K189 R190	D155-L157 PolarHBondContact O-N 3.17Å; D155-L157 PolarHBondContact OD1-N 2.79Å; L157-K159 HydrophobicContact CB-CG 4Å; L157-K159 PolarHBondContact O-N 3.18Å; L157-K189 HydrophobicContact CD2-CB 4.34Å; L157-R190 HydrophobicContact CB-CG 4.47Å; L157-R190 HydrophobicContact CD2-CG 4.41Å
158	L	96.2	Very high	94.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.168	C	C	.	.			trans	48.9	45.3	179.2	-66	177.3	0	0	0	112	L148 E151 M152 D155 K160 Y161 L164 L183 I186	L148-L158 HydrophobicContact CD1-CD1 3.89Å; L148-L158 HydrophobicContact CD1-CD2 4.25Å; E151-L158 HydrophobicContact CB-CD2 4.25Å; M152-L158 HydrophobicContact CE-CD1 3.52Å; M152-L158 HydrophobicContact CG-CD1 3.67Å; M152-L158 HydrophobicContact CG-CD2 3.79Å; M152-L158 HydrophobicContact CG-CG 3.81Å; M152-L158 HydrophobicContact SD-CD1 4.41Å; D155-L158 PolarHBondContact O-N 3.3Å; D155-L158 PolarHBondContact OD1-N 2.91Å; D155-L158 WeakPolarHBondContact OD2-CA 3.46Å; L158-K160 PolarHBondContact O-N 3.15Å; L158-K160 VanDerWaalsContact O-N 3.08Å; L158-Y161 HydrophobicContact CB-CD2 4.01Å; L158-Y161 HydrophobicContact CD2-CD2 4.19Å; L158-Y161 HydrophobicContact CD2-CE2 4.18Å; L158-Y161 PolarHBondContact O-N 3.31Å; L158-L164 HydrophobicContact CD1-CD1 3.6Å; L158-L183 HydrophobicContact CD1-CD2 4.16Å; L158-I186 HydrophobicContact CD1-CD1 4.08Å; L158-I186 HydrophobicContact CG-CD1 4.37Å
159	K	94.9	Very high	94.4	Very high	119 Å²	119	31.3 Å²	31.3	52%	0.517	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.3	-171.6	-64.7	179	-177	175.9	0	112.8	K92 D155 L157 Y161	K92-K159 PolarHBondContact NZ-O 3.24Å; D155-K159 PolarHBondContact OD2-N 3.34Å; L157-K159 HydrophobicContact CB-CG 4Å; L157-K159 PolarHBondContact O-N 3.18Å; K159-Y161 PolarHBondContact O-N 3.45Å
160	K	94.9	Very high	94.1	Very high	80 Å²	80	32.6 Å²	32.6	35%	0.348	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.4	176.1	-172.3	167.7	-177.3	170.1	0	112.7	K92 V93 P135 L158	K92-K160 WeakPolarHBondContact CA-O 3.34Å; V93-K160 HydrophobicContact CB-CG 4.32Å; V93-K160 HydrophobicContact CG2-CD 4.27Å; V93-K160 VanDerWaalsContact CG2-CE 3.49Å; V93-K160 HydrophobicContact CG2-CG 3.92Å; V93-K160 PolarHBondContact N-O 3.08Å; P135-K160 PolarHBondContact O-NZ 2.96Å; L158-K160 PolarHBondContact O-N 3.15Å; L158-K160 VanDerWaalsContact O-N 3.08Å
161	Y	97.6	Very high	93.7	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.5	-176.2	-61.4	-83.8	0	0	0	112.4	V93 E151 L158 K159 L164 R190	V93-Y161 HydrophobicContact CB-CD1 4.04Å; V93-Y161 HydrophobicContact CB-CE1 4.16Å; V93-Y161 HydrophobicContact CG1-CD1 3.99Å; V93-Y161 HydrophobicContact CG1-CE1 3.73Å; V93-Y161 WeakPolarHBondContact O-CA 3.03Å; V93-Y161 WeakPolarHBondContact O-CD1 3.48Å; E151-Y161 WeakPolarHBondContact OE2-CE2 3.41Å; E151-Y161 VanDerWaalsContact OE2-CZ 3.26Å; E151-Y161 PolarHBondContact OE2-OH 3.29Å; L158-Y161 HydrophobicContact CB-CD2 4.01Å; L158-Y161 HydrophobicContact CD2-CD2 4.19Å; L158-Y161 HydrophobicContact CD2-CE2 4.18Å; L158-Y161 PolarHBondContact O-N 3.31Å; K159-Y161 PolarHBondContact O-N 3.45Å; Y161-L164 HydrophobicContact CD1-CD2 3.69Å; Y161-L164 HydrophobicContact CD1-CG 4.39Å; Y161-L164 HydrophobicContact CD2-CD2 4.32Å; Y161-L164 HydrophobicContact CE1-CD2 4.09Å; Y161-L164 HydrophobicContact CG-CD1 4.48Å; Y161-L164 HydrophobicContact CG-CD2 3.8Å; Y161-L164 HydrophobicContact CG-CG 4.17Å; Y161-R190 PolarHBondContact O-NH2 3.11Å
162	S	97.4	Very high	93.5	Very high	12 Å²	12	30.7 Å²	30.7	8%	0.084	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-38.2	168.8	52	0	0	0	0	111.4	W87 V93 R194	W87-S162 VanDerWaalsContact O-CB 3.25Å; W87-S162 WeakPolarHBondContact O-CB 3.38Å; W87-S162 PolarHBondContact O-OG 2.88Å; V93-S162 PolarHBondContact O-N 3.21Å; S162-R194 PolarHBondContact O-N 2.98Å
163	V	98.3	Very high	93.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	134.4	177.5	-168.7	0	0	0	0	110	L82 W87 G95 R194 I196	L82-V163 HydrophobicContact CD1-CB 4.24Å; L82-V163 HydrophobicContact CD1-CG1 3.78Å; L82-V163 HydrophobicContact CD1-CG2 4.46Å; W87-V163 HydrophobicContact CB-CG2 3.98Å; W87-V163 HydrophobicContact CD2-CG2 3.72Å; W87-V163 HydrophobicContact CE3-CG2 3.48Å; W87-V163 VanDerWaalsContact CE3-CG2 3.48Å; W87-V163 HydrophobicContact CG-CG2 3.95Å; W87-V163 HydrophobicContact CZ3-CG2 4.24Å; G95-V163 PolarHBondContact N-O 2.9Å; V163-R194 WeakPolarHBondContact CA-O 3.46Å; V163-R194 HydrophobicContact CB-CB 4.48Å; V163-R194 HydrophobicContact CG1-CB 4.14Å; V163-R194 HydrophobicContact CG2-CB 4.14Å; V163-I196 HydrophobicContact CG1-CD1 4.07Å; V163-I196 HydrophobicContact CG1-CG1 4.24Å
164	L	98.4	Very high	93.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.4	171.5	-75.4	165.6	0	0	0	110.3	G95 L148 L158 Y161 L183 L193 R194 V195 I196	G95-L164 CarbonylContact O-C 3.57Å; G95-L164 WeakPolarHBondContact O-CA 3.21Å; L148-L164 HydrophobicContact CD1-CD1 4.34Å; L148-L164 HydrophobicContact CD1-CD2 3.91Å; L158-L164 HydrophobicContact CD1-CD1 3.6Å; Y161-L164 HydrophobicContact CD1-CD2 3.69Å; Y161-L164 HydrophobicContact CD1-CG 4.39Å; Y161-L164 HydrophobicContact CD2-CD2 4.32Å; Y161-L164 HydrophobicContact CE1-CD2 4.09Å; Y161-L164 HydrophobicContact CG-CD1 4.48Å; Y161-L164 HydrophobicContact CG-CD2 3.8Å; Y161-L164 HydrophobicContact CG-CG 4.17Å; L164-L183 HydrophobicContact CD1-CD2 3.58Å; L164-L193 HydrophobicContact CD1-CD1 4.19Å; L164-L193 HydrophobicContact CD1-CD2 4.45Å; L164-L193 HydrophobicContact CG-CD1 4.44Å; L164-R194 PolarHBondContact N-O 2.91Å; L164-V195 CarbonylContact O-C 3.55Å; L164-V195 VanDerWaalsContact O-CA 3.29Å; L164-V195 WeakPolarHBondContact O-CA 3.37Å; L164-I196 PolarHBondContact O-N 2.9Å
165	M	98.1	Very high	93.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.4	174.6	-179.6	179.6	174.3	0	0	109.6	K74 I78 P79 G95 V96 T97 D167 I196 A198	K74-M165 HydrophobicContact CB-CE 4.14Å; I78-M165 HydrophobicContact CB-SD 4.26Å; I78-M165 HydrophobicContact CD1-CE 4.08Å; I78-M165 HydrophobicContact CG2-SD 4.22Å; P79-M165 HydrophobicContact CG-SD 4.39Å; G95-M165 PolarHBondContact O-N 2.81Å; V96-M165 CarbonylContact C-O 3.52Å; V96-M165 WeakPolarHBondContact CA-O 3.47Å; V96-M165 HydrophobicContact CG1-CB 4.28Å; V96-M165 HydrophobicContact CG1-CG 4.27Å; V96-M165 HydrophobicContact CG1-SD 4.08Å; V96-M165 HydrophobicContact CG2-CB 4.32Å; T97-M165 PolarHBondContact N-O 3.31Å; M165-D167 HydrophobicContact CE-CB 4.21Å; M165-D167 PolarHBondContact O-N 3.12Å; M165-I196 CarbonylContact C-O 3.53Å; M165-I196 VanDerWaalsContact CA-O 3.28Å; M165-I196 WeakPolarHBondContact CA-O 3.41Å; M165-I196 HydrophobicContact CB-CB 4.12Å; M165-I196 HydrophobicContact CG-CB 4.08Å; M165-I196 HydrophobicContact CG-CG2 4.01Å; M165-A198 HydrophobicContact CE-CB 3.43Å; M165-A198 VanDerWaalsContact CE-CB 3.43Å
166	L	96.8	Very high	93.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	99	169.2	-56.5	-177.3	0	0	0	108.7	T97 L148 A179 I180 L183 I196 A198	T97-L166 HydrophobicContact CG2-CD2 3.79Å; T97-L166 WeakPolarHBondContact OG1-CA 3.48Å; T97-L166 WeakPolarHBondContact OG1-CD2 3.23Å; L148-L166 HydrophobicContact CD2-CD2 4.11Å; L166-A179 HydrophobicContact CD2-CB 4.4Å; L166-I180 HydrophobicContact CD1-CB 4.49Å; L166-I180 HydrophobicContact CD1-CD1 4.36Å; L166-I180 HydrophobicContact CD1-CG1 3.4Å; L166-I180 VanDerWaalsContact CD1-CG1 3.4Å; L166-L183 HydrophobicContact CD1-CD1 3.84Å; L166-L183 HydrophobicContact CD2-CD1 3.89Å; L166-L183 HydrophobicContact CG-CD1 4.07Å; L166-I196 PolarHBondContact N-O 2.95Å; L166-A198 PolarHBondContact O-N 3.35Å
167	D	93.9	Very high	93.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.			trans	-91	160.2	-178.3	-163.3	27.2	0	0	0	112.5	T75 V96 T97 Q98 M165 A169 A198	T75-D167 VanDerWaalsContact CB-OD2 3.25Å; T75-D167 WeakPolarHBondContact CB-OD2 3.39Å; T75-D167 WeakPolarHBondContact CG2-OD2 3.45Å; T75-D167 PolarHBondContact OG1-OD2 3.45Å; V96-D167 HydrophobicContact CG1-CB 4.42Å; T97-D167 VanDerWaalsContact O-CB 3.31Å; T97-D167 WeakPolarHBondContact O-CB 3.38Å; T97-D167 PolarHBondContact O-N 3.33Å; Q98-D167 PolarHBondContact NE2-OD2 3.44Å; M165-D167 HydrophobicContact CE-CB 4.21Å; M165-D167 PolarHBondContact O-N 3.12Å; D167-A169 PolarHBondContact O-N 3.34Å; D167-A169 VanDerWaalsContact O-N 3.11Å; D167-A198 HydrophobicContact CB-CB 4.49Å; D167-A198 WeakPolarHBondContact OD1-CB 3.44Å
168	E	89.8	Confident	93.6	Very high	9 Å²	9	20 Å²	20	4%	0.042	9%	0.09	C	C	.	.	S	Bend	trans	52.4	33.2	-178.1	-60.1	-73.1	130.5	0	0	112.6	T70 P99 H170 E171 A198	T70-E168 WeakPolarHBondContact CG2-OE1 3.33Å; P99-E168 HydrophobicContact CG-CB 3.76Å; E168-H170 PolarHBondContact O-N 3.42Å; E168-H170 IonicContact OE1-CE1 2.66Å; E168-H170 IonicContact OE2-CE1 3.2Å; E168-H170 PolarHBondContact OE2-CE1 3.15Å; E168-H170 IonicContact OE2-NE2 2.77Å; E168-H170 PolarHBondContact OE2-NE2 3.03Å; E168-E171 HydrophobicContact CB-CG 4.46Å; E168-E171 PolarHBondContact O-N 3.42Å; E168-A198 PolarHBondContact N-O 3.37Å
169	A	90.8	Very high	93.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-61.4	-13.9	-174.1	0	0	0	0	0	113.9	D167 E171 R172 T176 V197 A198 F207	D167-A169 PolarHBondContact O-N 3.34Å; D167-A169 VanDerWaalsContact O-N 3.11Å; A169-E171 VanDerWaalsContact C-N 3.31Å; A169-R172 WeakPolarHBondContact O-CD 3.3Å; A169-R172 PolarHBondContact O-N 3.25Å; A169-T176 HydrophobicContact CB-CG2 4.47Å; A169-V197 HydrophobicContact CB-CG1 3.64Å; A169-A198 PolarHBondContact N-O 2.74Å; A169-F207 HydrophobicContact CB-CE1 4.26Å; A169-F207 HydrophobicContact CB-CZ 3.96Å
170	H	86.7	Confident	93.5	Very high	27 Å²	27	14.2 Å²	14.2	13%	0.125	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-72.6	-17.7	172.6	62.6	-82.9	0	0	0	114.2	E168 R172 A200 T201 T338 Q380	E168-H170 PolarHBondContact O-N 3.42Å; E168-H170 IonicContact OE1-CE1 2.66Å; E168-H170 IonicContact OE2-CE1 3.2Å; E168-H170 PolarHBondContact OE2-CE1 3.15Å; E168-H170 IonicContact OE2-NE2 2.77Å; E168-H170 PolarHBondContact OE2-NE2 3.03Å; H170-R172 PolarHBondContact O-N 2.98Å; H170-A200 PolarHBondContact ND1-N 2.76Å; H170-T201 HydrophobicContact CB-CG2 3.75Å; H170-T201 WeakPolarHBondContact CB-OG1 3.18Å; H170-T338 VanDerWaalsContact NE2-CG2 3.25Å; H170-T338 WeakPolarHBondContact NE2-CG2 3.35Å; H170-Q380 PolarHBondContact CD2-NE2 2.9Å
171	E	84.1	Confident	93.5	Very high	42 Å²	42	10.5 Å²	10.5	20%	0.196	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-66.4	-20.5	171.8	-69.3	-157.5	173.2	0	0	111.6	P99 R100 E168 A169 T173 T338 S339	P99-E171 WeakPolarHBondContact CB-OE2 3.38Å; P99-E171 HydrophobicContact CG-CB 4.47Å; P99-E171 HydrophobicContact CG-CG 4.31Å; P99-E171 WeakPolarHBondContact CG-OE2 3.49Å; R100-E171 IonicContact CZ-OE1 3.73Å; R100-E171 IonicContact NE-OE1 3.28Å; R100-E171 PolarHBondContact NE-OE1 3.18Å; R100-E171 IonicContact NE-OE2 3.97Å; R100-E171 PolarHBondContact NE-OE2 2.78Å; R100-E171 IonicContact NH2-OE1 2.69Å; R100-E171 PolarHBondContact NH2-OE1 2.81Å; R100-E171 IonicContact NH2-OE2 2.67Å; E168-E171 HydrophobicContact CB-CG 4.46Å; E168-E171 PolarHBondContact O-N 3.42Å; A169-E171 VanDerWaalsContact C-N 3.31Å; E171-T173 HydrophobicContact CB-CG2 4.01Å; E171-T173 PolarHBondContact O-N 3.07Å; E171-T338 PolarHBondContact OE1-OG1 2.94Å; E171-S339 PolarHBondContact OE1-OG 2.78Å
172	R	90	Very high	93.4	Very high	22 Å²	22	10.9 Å²	10.9	8%	0.083	5%	0.052	C	C	.	.			trans	48.9	47.1	174.6	-64	-62.1	-55.3	-76.3	-6.1	112.2	A169 H170 D177 P411 E412 S440	A169-R172 WeakPolarHBondContact O-CD 3.3Å; A169-R172 PolarHBondContact O-N 3.25Å; H170-R172 PolarHBondContact O-N 2.98Å; R172-D177 IonicContact CZ-OD1 3.79Å; R172-D177 IonicContact CZ-OD2 2.99Å; R172-D177 IonicContact NE-OD1 3.43Å; R172-D177 PolarHBondContact NE-OD1 3.45Å; R172-D177 IonicContact NE-OD2 2.68Å; R172-D177 IonicContact NH2-OD1 3.46Å; R172-D177 PolarHBondContact NH2-OD1 2.92Å; R172-D177 IonicContact NH2-OD2 3.46Å; R172-D177 PolarHBondContact NH2-OD2 2.74Å; R172-P411 HydrophobicContact CB-CB 4.03Å; R172-P411 HydrophobicContact CB-CG 4.39Å; R172-E412 WeakPolarHBondContact O-CB 3.35Å; R172-E412 PolarHBondContact O-N 3.38Å; R172-S440 VanDerWaalsContact NH2-CB 3.28Å; R172-S440 PolarHBondContact NH2-OG 3.49Å
173	T	91.1	Very high	93.3	Very high	20 Å²	20	10.3 Å²	10.3	12%	0.123	5%	0.048	C	C	.	.			trans	-69.6	159.9	177.5	85.2	0	0	0	0	110.6	P99 D145 E171 Y175 T176 D177 E412	P99-T173 HydrophobicContact CB-CG2 3.61Å; D145-T173 PolarHBondContact OD2-OG1 3.32Å; E171-T173 HydrophobicContact CB-CG2 4.01Å; E171-T173 PolarHBondContact O-N 3.07Å; T173-Y175 VanDerWaalsContact C-N 3.29Å; T173-Y175 PolarHBondContact O-N 3.45Å; T173-T176 PolarHBondContact O-N 3.28Å; T173-T176 PolarHBondContact OG1-N 3.06Å; T173-T176 PolarHBondContact OG1-OG1 3.27Å; T173-D177 PolarHBondContact O-N 3.43Å; T173-D177 VanDerWaalsContact O-N 3.14Å; T173-E412 VanDerWaalsContact CA-OE2 3.26Å; T173-E412 WeakPolarHBondContact CA-OE2 3.29Å; T173-E412 WeakPolarHBondContact CB-OE2 3.24Å
174	L	91.6	Very high	93.1	Very high	12 Å²	12	12 Å²	12	6%	0.063	6%	0.055	C	C	.	.	H	α-helix	trans	-57.2	-44.2	-178.4	179.2	66.7	0	0	0	111.5	I178 E412 M413 L418 V421	L174-I178 VanDerWaalsContact O-CG1 3.27Å; L174-I178 WeakPolarHBondContact O-CG1 3.13Å; L174-I178 PolarHBondContact O-N 3.32Å; L174-E412 HydrophobicContact CB-CB 4.37Å; L174-E412 HydrophobicContact CB-CG 4.08Å; L174-E412 PolarHBondContact N-OE2 3.3Å; L174-M413 HydrophobicContact CD1-CB 4.43Å; L174-M413 HydrophobicContact CD1-CE 3.6Å; L174-M413 HydrophobicContact CD1-SD 3.61Å; L174-L418 HydrophobicContact CD1-CD2 3.66Å; L174-V421 HydrophobicContact CD1-CG2 4.18Å; L174-V421 HydrophobicContact CD2-CB 4.45Å; L174-V421 HydrophobicContact CD2-CG2 3.5Å; L174-V421 HydrophobicContact CG-CG2 3.68Å
175	Y	93.6	Very high	92.8	Very high	67 Å²	67	17.4 Å²	17.4	26%	0.263	8%	0.078	S	C	.	.	H	α-helix	trans	-76.8	-32.5	-178.6	-74.2	-79.7	0	0	0	113.1	V149 T173 I178 A179 V421	V149-Y175 HydrophobicContact CB-CD1 4.36Å; V149-Y175 HydrophobicContact CG2-CD1 4.2Å; T173-Y175 VanDerWaalsContact C-N 3.29Å; T173-Y175 PolarHBondContact O-N 3.45Å; Y175-I178 PolarHBondContact O-N 3.35Å; Y175-A179 WeakPolarHBondContact O-CB 3.45Å; Y175-A179 PolarHBondContact O-N 2.76Å; Y175-V421 HydrophobicContact CE1-CG2 4.35Å
176	T	93.9	Very high	92.7	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.8	-48.5	173.8	-39.6	0	0	0	0	110.4	D145 A169 T173 I178 A179 I180	D145-T176 PolarHBondContact OD2-OG1 2.69Å; A169-T176 HydrophobicContact CB-CG2 4.47Å; T173-T176 PolarHBondContact O-N 3.28Å; T173-T176 PolarHBondContact OG1-N 3.06Å; T173-T176 PolarHBondContact OG1-OG1 3.27Å; T176-I178 VanDerWaalsContact C-N 3.3Å; T176-I178 PolarHBondContact O-N 2.85Å; T176-A179 PolarHBondContact O-N 2.81Å; T176-I180 HydrophobicContact CG2-CD1 4.13Å; T176-I180 VanDerWaalsContact O-CG1 3.27Å; T176-I180 WeakPolarHBondContact O-CG1 3.36Å; T176-I180 PolarHBondContact O-N 3.24Å
177	D	93.3	Very high	92.5	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.011	8%	0.082	C	C	.	.	H	α-helix	trans	-63.5	-35.7	-179.4	-86.1	20.9	0	0	0	112.4	R172 T173 G181 M413	R172-D177 IonicContact CZ-OD1 3.79Å; R172-D177 IonicContact CZ-OD2 2.99Å; R172-D177 IonicContact NE-OD1 3.43Å; R172-D177 PolarHBondContact NE-OD1 3.45Å; R172-D177 IonicContact NE-OD2 2.68Å; R172-D177 IonicContact NH2-OD1 3.46Å; R172-D177 PolarHBondContact NH2-OD1 2.92Å; R172-D177 IonicContact NH2-OD2 3.46Å; R172-D177 PolarHBondContact NH2-OD2 2.74Å; T173-D177 PolarHBondContact O-N 3.43Å; T173-D177 VanDerWaalsContact O-N 3.14Å; D177-G181 PolarHBondContact O-N 2.9Å; D177-G181 VanDerWaalsContact O-N 3.15Å; D177-M413 HydrophobicContact CB-CE 3.92Å
178	I	93.8	Very high	92.4	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-69.4	-45.6	174.7	-67.6	-65.9	0	0	0	111.7	V149 L174 Y175 T176 I180 G181 L182 M413 V421 L425 F436 F438	V149-I178 HydrophobicContact CG1-CG2 4.38Å; V149-I178 HydrophobicContact CG2-CG2 4.1Å; L174-I178 VanDerWaalsContact O-CG1 3.27Å; L174-I178 WeakPolarHBondContact O-CG1 3.13Å; L174-I178 PolarHBondContact O-N 3.32Å; Y175-I178 PolarHBondContact O-N 3.35Å; T176-I178 VanDerWaalsContact C-N 3.3Å; T176-I178 PolarHBondContact O-N 2.85Å; I178-I180 VanDerWaalsContact C-N 3.27Å; I178-I180 PolarHBondContact O-N 3.29Å; I178-G181 PolarHBondContact O-N 3.14Å; I178-L182 HydrophobicContact CG2-CD1 3.6Å; I178-L182 HydrophobicContact CG2-CG 4.24Å; I178-L182 WeakPolarHBondContact O-CB 3.28Å; I178-L182 VanDerWaalsContact O-CG 3.31Å; I178-L182 WeakPolarHBondContact O-CG 3.4Å; I178-L182 PolarHBondContact O-N 3Å; I178-M413 HydrophobicContact CD1-CE 3.51Å; I178-M413 HydrophobicContact CG1-CE 3.62Å; I178-V421 HydrophobicContact CD1-CG1 3.26Å; I178-V421 HydrophobicContact CG1-CG1 3.41Å; I178-V421 VanDerWaalsContact CG1-CG1 3.41Å; I178-V421 HydrophobicContact CG1-CG2 4.37Å; I178-L425 HydrophobicContact CD1-CD1 3.93Å; I178-L425 HydrophobicContact CD1-CD2 4.23Å; I178-L425 HydrophobicContact CD1-CG 4.33Å; I178-L425 HydrophobicContact CG2-CD2 4.12Å; I178-F436 HydrophobicContact CD1-CE1 4.24Å; I178-F438 HydrophobicContact CD1-CD1 4.37Å; I178-F438 HydrophobicContact CD1-CE1 3.87Å
179	A	95.1	Very high	92.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.2	-42.8	175.7	0	0	0	0	0	110.9	L148 V149 L166 Y175 T176 G181 L182 L183	L148-A179 HydrophobicContact CD2-CB 4.22Å; V149-A179 HydrophobicContact CG2-CB 4.28Å; L166-A179 HydrophobicContact CD2-CB 4.4Å; Y175-A179 WeakPolarHBondContact O-CB 3.45Å; Y175-A179 PolarHBondContact O-N 2.76Å; T176-A179 PolarHBondContact O-N 2.81Å; A179-G181 PolarHBondContact O-N 3.04Å; A179-L182 PolarHBondContact O-N 3.33Å; A179-L183 VanDerWaalsContact O-CB 3.25Å; A179-L183 WeakPolarHBondContact O-CB 3.31Å; A179-L183 WeakPolarHBondContact O-CD1 3.48Å; A179-L183 WeakPolarHBondContact O-CG 3.18Å; A179-L183 PolarHBondContact O-N 3.31Å
180	I	94.9	Very high	92.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.2	-50.9	175	-74.1	167.8	0	0	0	111.4	L166 T176 I178 L182 L183 K184 F207 F210 F211 L439	L166-I180 HydrophobicContact CD1-CB 4.49Å; L166-I180 HydrophobicContact CD1-CD1 4.36Å; L166-I180 HydrophobicContact CD1-CG1 3.4Å; L166-I180 VanDerWaalsContact CD1-CG1 3.4Å; T176-I180 HydrophobicContact CG2-CD1 4.13Å; T176-I180 VanDerWaalsContact O-CG1 3.27Å; T176-I180 WeakPolarHBondContact O-CG1 3.36Å; T176-I180 PolarHBondContact O-N 3.24Å; I178-I180 VanDerWaalsContact C-N 3.27Å; I178-I180 PolarHBondContact O-N 3.29Å; I180-L182 PolarHBondContact O-N 2.53Å; I180-L183 PolarHBondContact O-N 3.07Å; I180-K184 PolarHBondContact O-N 3.45Å; I180-F207 HydrophobicContact CD1-CD1 4.31Å; I180-F207 HydrophobicContact CD1-CE1 3.74Å; I180-F210 HydrophobicContact CG2-CD1 3.67Å; I180-F210 HydrophobicContact CG2-CE1 3.26Å; I180-F210 HydrophobicContact CG2-CZ 3.91Å; I180-F211 HydrophobicContact CB-CZ 4.3Å; I180-F211 HydrophobicContact CG1-CE2 4.46Å; I180-F211 HydrophobicContact CG1-CZ 4.39Å; I180-F211 HydrophobicContact CG2-CE2 3.81Å; I180-F211 HydrophobicContact CG2-CZ 3.76Å; I180-L439 HydrophobicContact CD1-CD2 4.16Å; I180-L439 HydrophobicContact CG2-CB 4.38Å
181	G	94.5	Very high	93	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-39	-179.9	0	0	0	0	0	113.4	D177 I178 A179 K185 F436 S437	D177-G181 PolarHBondContact O-N 2.9Å; D177-G181 VanDerWaalsContact O-N 3.15Å; I178-G181 PolarHBondContact O-N 3.14Å; A179-G181 PolarHBondContact O-N 3.04Å; G181-K185 PolarHBondContact O-N 3.12Å; G181-F436 VanDerWaalsContact C-CZ 3.44Å; G181-S437 WeakPolarHBondContact CA-O 3.38Å
182	L	95.1	Very high	93.4	Very high	11 Å²	11	40.6 Å²	40.6	6%	0.058	18%	0.177	C	C	.	.	H	α-helix	trans	-67.5	-44.7	176.6	-71.2	170	0	0	0	111.3	V149 M152 I178 A179 I180 K184 K185 I186 L425 L428 I430 F436	V149-L182 HydrophobicContact CG1-CD1 4.32Å; V149-L182 HydrophobicContact CG2-CD1 4.46Å; M152-L182 HydrophobicContact CE-CB 4.1Å; M152-L182 HydrophobicContact SD-CB 3.73Å; M152-L182 HydrophobicContact SD-CD1 3.52Å; M152-L182 VanDerWaalsContact SD-CD1 3.52Å; M152-L182 HydrophobicContact SD-CG 4.22Å; I178-L182 HydrophobicContact CG2-CD1 3.6Å; I178-L182 HydrophobicContact CG2-CG 4.24Å; I178-L182 WeakPolarHBondContact O-CB 3.28Å; I178-L182 VanDerWaalsContact O-CG 3.31Å; I178-L182 WeakPolarHBondContact O-CG 3.4Å; I178-L182 PolarHBondContact O-N 3Å; A179-L182 PolarHBondContact O-N 3.33Å; I180-L182 PolarHBondContact O-N 2.53Å; L182-K184 PolarHBondContact O-N 3.21Å; L182-K185 CarbonylContact O-C 3.47Å; L182-K185 WeakPolarHBondContact O-CA 3.38Å; L182-K185 VanDerWaalsContact O-CB 3.24Å; L182-K185 WeakPolarHBondContact O-CB 3.46Å; L182-K185 PolarHBondContact O-N 2.94Å; L182-I186 WeakPolarHBondContact O-CG1 3.35Å; L182-I186 PolarHBondContact O-N 3.14Å; L182-L425 HydrophobicContact CD2-CD2 4.2Å; L182-L425 HydrophobicContact CG-CD2 4.48Å; L182-L428 HydrophobicContact CD1-CD1 3.67Å; L182-L428 HydrophobicContact CD2-CD1 3.91Å; L182-L428 HydrophobicContact CG-CD1 4.48Å; L182-I430 HydrophobicContact CD2-CD1 3.5Å; L182-I430 VanDerWaalsContact CD2-CD1 3.5Å; L182-F436 HydrophobicContact CD2-CE2 4Å; L182-F436 HydrophobicContact CD2-CZ 4.33Å; L182-F436 HydrophobicContact CG-CE2 4.29Å; L182-F436 HydrophobicContact CG-CZ 4.13Å
183	L	95.7	Very high	93.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.9	-40.6	178.8	-75.4	167.6	0	0	0	112.1	L148 M152 L158 L164 L166 A179 I180 K185 I186 Q187 L193 V195	L148-L183 HydrophobicContact CD2-CD1 4.47Å; M152-L183 HydrophobicContact CE-CD2 3.93Å; M152-L183 HydrophobicContact CE-CG 3.84Å; L158-L183 HydrophobicContact CD1-CD2 4.16Å; L164-L183 HydrophobicContact CD1-CD2 3.58Å; L166-L183 HydrophobicContact CD1-CD1 3.84Å; L166-L183 HydrophobicContact CD2-CD1 3.89Å; L166-L183 HydrophobicContact CG-CD1 4.07Å; A179-L183 VanDerWaalsContact O-CB 3.25Å; A179-L183 WeakPolarHBondContact O-CB 3.31Å; A179-L183 WeakPolarHBondContact O-CD1 3.48Å; A179-L183 WeakPolarHBondContact O-CG 3.18Å; A179-L183 PolarHBondContact O-N 3.31Å; I180-L183 PolarHBondContact O-N 3.07Å; L183-K185 PolarHBondContact O-N 3.28Å; L183-I186 HydrophobicContact CD2-CD1 4.44Å; L183-I186 PolarHBondContact O-N 3.32Å; L183-I186 VanDerWaalsContact O-N 3.13Å; L183-Q187 WeakPolarHBondContact O-CB 3.34Å; L183-Q187 WeakPolarHBondContact O-CG 3.37Å; L183-Q187 PolarHBondContact O-N 2.84Å; L183-L193 HydrophobicContact CD2-CD2 4.14Å; L183-V195 HydrophobicContact CB-CG2 4.46Å; L183-V195 HydrophobicContact CD1-CG2 4.48Å; L183-V195 HydrophobicContact CD2-CG2 4.36Å
184	K	93.8	Very high	94	Very high	36 Å²	36	40.8 Å²	40.8	16%	0.157	18%	0.176	C	C	.	.	H	α-helix	trans	-56.3	-37.4	172	-178.5	174	-179	172.3	0	111.7	I180 L182 F210 F211	I180-K184 PolarHBondContact O-N 3.45Å; L182-K184 PolarHBondContact O-N 3.21Å; K184-F210 HydrophobicContact CB-CE1 3.86Å; K184-F210 HydrophobicContact CB-CZ 4.36Å; K184-F210 HydrophobicContact CD-CD1 3.99Å; K184-F210 HydrophobicContact CD-CE1 3.5Å; K184-F210 HydrophobicContact CD-CE2 4.27Å; K184-F210 HydrophobicContact CD-CZ 3.67Å; K184-F210 VanDerWaalsContact CD-O 3.3Å; K184-F210 WeakPolarHBondContact CD-O 3.4Å; K184-F210 WeakPolarHBondContact CE-O 3.24Å; K184-F210 HydrophobicContact CG-CE1 4.27Å; K184-F210 PolarHBondContact NZ-O 2.99Å; K184-F211 HydrophobicContact CB-CD1 4.38Å; K184-F211 HydrophobicContact CB-CE1 4.15Å
185	K	92.9	Very high	94.3	Very high	112 Å²	112	40.3 Å²	40.3	49%	0.487	17%	0.173	S	C	.	.	H	α-helix	trans	-71	-44	175.9	-123.6	-177.9	174.3	-173.2	0	112	G181 L182 L183 K188	G181-K185 PolarHBondContact O-N 3.12Å; L182-K185 CarbonylContact O-C 3.47Å; L182-K185 WeakPolarHBondContact O-CA 3.38Å; L182-K185 VanDerWaalsContact O-CB 3.24Å; L182-K185 WeakPolarHBondContact O-CB 3.46Å; L182-K185 PolarHBondContact O-N 2.94Å; L183-K185 PolarHBondContact O-N 3.28Å; K185-K188 WeakPolarHBondContact O-CB 3.44Å; K185-K188 PolarHBondContact O-N 2.94Å
186	I	94.5	Very high	94.5	Very high	14 Å²	14	37.1 Å²	37.1	7%	0.072	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-44.1	178.5	-65.8	168.3	0	0	0	110.6	M152 P156 L158 L182 L183 K188 K189 R190 L193	M152-I186 HydrophobicContact CE-CD1 4.08Å; M152-I186 HydrophobicContact CG-CD1 4.44Å; M152-I186 HydrophobicContact SD-CD1 4.34Å; P156-I186 WeakPolarHBondContact O-CD1 3.19Å; P156-I186 WeakPolarHBondContact O-CG1 3.43Å; L158-I186 HydrophobicContact CD1-CD1 4.08Å; L158-I186 HydrophobicContact CG-CD1 4.37Å; L182-I186 WeakPolarHBondContact O-CG1 3.35Å; L182-I186 PolarHBondContact O-N 3.14Å; L183-I186 HydrophobicContact CD2-CD1 4.44Å; L183-I186 PolarHBondContact O-N 3.32Å; L183-I186 VanDerWaalsContact O-N 3.13Å; I186-K188 PolarHBondContact O-N 2.79Å; I186-K189 CarbonylContact O-C 3.4Å; I186-K189 WeakPolarHBondContact O-CA 3.36Å; I186-K189 PolarHBondContact O-N 2.99Å; I186-R190 HydrophobicContact CG2-CB 4.12Å; I186-R190 HydrophobicContact CG2-CG 3.97Å; I186-R190 PolarHBondContact O-N 3.1Å; I186-L193 HydrophobicContact CG2-CD2 3.74Å
187	Q	93.6	Very high	94.7	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.009	16%	0.16	C	C	.	.	H	α-helix	trans	-58.9	-29.1	179.3	-81	-176.1	-46.8	0	0	113.5	Q62 T63 L183 K189 R190 V195	Q62-Q187 HydrophobicContact CG-CG 4.38Å; Q62-Q187 VanDerWaalsContact NE2-CB 3.31Å; Q62-Q187 PolarHBondContact NE2-O 2.92Å; Q62-Q187 PolarHBondContact O-NE2 2.78Å; Q62-Q187 VanDerWaalsContact O-NE2 3.09Å; T63-Q187 PolarHBondContact OG1-NE2 2.91Å; T63-Q187 PolarHBondContact OG1-OE1 2.78Å; L183-Q187 WeakPolarHBondContact O-CB 3.34Å; L183-Q187 WeakPolarHBondContact O-CG 3.37Å; L183-Q187 PolarHBondContact O-N 2.84Å; Q187-K189 PolarHBondContact O-N 3.14Å; Q187-R190 CarbonylContact O-C 3.31Å; Q187-V195 HydrophobicContact CG-CG2 4.15Å
188	K	91.1	Very high	94.7	Very high	117 Å²	117	37 Å²	37	51%	0.509	16%	0.16	S	C	.	.	H	α-helix	trans	-64.1	-28.2	171.8	-68.6	-177	178.2	-165.5	0	112.8	K185 I186 L213	K185-K188 WeakPolarHBondContact O-CB 3.44Å; K185-K188 PolarHBondContact O-N 2.94Å; I186-K188 PolarHBondContact O-N 2.79Å; K188-L213 HydrophobicContact CG-CD1 4.39Å
189	K	93.6	Very high	94.4	Very high	175 Å²	175	36.9 Å²	36.9	76%	0.761	16%	0.159	S	C	*	.	H	α-helix	trans	-97.8	-37.2	178.1	-67.2	-66.2	-172.6	177.9	0	112.8	L157 I186 Q187	L157-K189 HydrophobicContact CD2-CB 4.34Å; I186-K189 CarbonylContact O-C 3.4Å; I186-K189 WeakPolarHBondContact O-CA 3.36Å; I186-K189 PolarHBondContact O-N 2.99Å; Q187-K189 PolarHBondContact O-N 3.14Å
190	R	94.6	Very high	93.6	Very high	37 Å²	37	38 Å²	38	14%	0.14	17%	0.168	C	C	.	.			trans	-105.9	84.2	-178.9	-70.1	-87.5	-69.9	149.8	15.8	109.4	Q62 L157 Y161 I186 Q187 D192 L193	Q62-R190 PolarHBondContact NE2-O 3.47Å; L157-R190 HydrophobicContact CB-CG 4.47Å; L157-R190 HydrophobicContact CD2-CG 4.41Å; Y161-R190 PolarHBondContact O-NH2 3.11Å; I186-R190 HydrophobicContact CG2-CB 4.12Å; I186-R190 HydrophobicContact CG2-CG 3.97Å; I186-R190 PolarHBondContact O-N 3.1Å; Q187-R190 CarbonylContact O-C 3.31Å; R190-D192 VanDerWaalsContact CZ-CG 3.44Å; R190-D192 IonicContact CZ-OD1 3.74Å; R190-D192 IonicContact CZ-OD2 2.94Å; R190-D192 IonicContact NE-OD1 3.26Å; R190-D192 IonicContact NE-OD2 2.82Å; R190-D192 VanDerWaalsContact NH1-CG 3.28Å; R190-D192 IonicContact NH1-OD1 3.92Å; R190-D192 PolarHBondContact NH1-OD1 2.88Å; R190-D192 VanDerWaalsContact NH1-OD1 3.13Å; R190-D192 IonicContact NH1-OD2 3.31Å; R190-D192 PolarHBondContact NH1-OD2 3.45Å; R190-D192 IonicContact NH2-OD1 2.76Å; R190-D192 IonicContact NH2-OD2 2.79Å; R190-D192 PolarHBondContact NH2-OD2 2.8Å; R190-D192 PolarHBondContact O-N 2.82Å; R190-L193 HydrophobicContact CB-CB 3.85Å; R190-L193 PolarHBondContact O-N 2.98Å
191	R	91.3	Very high	92.5	Very high	148 Å²	148	39.5 Å²	39.5	56%	0.558	18%	0.177	S	C	*	.	S	Bend	trans	-67.4	-19.2	177.2	-64.2	-60.7	-172.7	173.6	5.7	113.2	R194	R191-R194 PolarHBondContact O-NH1 3.01Å
192	D	93.9	Very high	90.7	Very high	74 Å²	74	47.4 Å²	47.4	40%	0.396	22%	0.218	S	C	.	.	S	Bend	trans	-79.6	-29.6	175.6	65.2	-48.9	0	0	0	112.9	R190 R194	R190-D192 VanDerWaalsContact CZ-CG 3.44Å; R190-D192 IonicContact CZ-OD1 3.74Å; R190-D192 IonicContact CZ-OD2 2.94Å; R190-D192 IonicContact NE-OD1 3.26Å; R190-D192 IonicContact NE-OD2 2.82Å; R190-D192 VanDerWaalsContact NH1-CG 3.28Å; R190-D192 IonicContact NH1-OD1 3.92Å; R190-D192 PolarHBondContact NH1-OD1 2.88Å; R190-D192 VanDerWaalsContact NH1-OD1 3.13Å; R190-D192 IonicContact NH1-OD2 3.31Å; R190-D192 PolarHBondContact NH1-OD2 3.45Å; R190-D192 IonicContact NH2-OD1 2.76Å; R190-D192 IonicContact NH2-OD2 2.79Å; R190-D192 PolarHBondContact NH2-OD2 2.8Å; R190-D192 PolarHBondContact O-N 2.82Å; D192-R194 PolarHBondContact O-N 2.9Å; D192-R194 PolarHBondContact O-NH1 3.2Å
193	L	96.5	Very high	89.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.227	C	C	.	.			trans	-65.5	123	179.4	179.3	66.7	0	0	0	111.2	Q62 L164 L183 I186 R190	Q62-L193 WeakPolarHBondContact CG-O 3.34Å; L164-L193 HydrophobicContact CD1-CD1 4.19Å; L164-L193 HydrophobicContact CD1-CD2 4.45Å; L164-L193 HydrophobicContact CG-CD1 4.44Å; L183-L193 HydrophobicContact CD2-CD2 4.14Å; I186-L193 HydrophobicContact CG2-CD2 3.74Å; R190-L193 HydrophobicContact CB-CB 3.85Å; R190-L193 PolarHBondContact O-N 2.98Å
194	R	97.6	Very high	89	Confident	46 Å²	46	49.2 Å²	49.2	17%	0.174	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	141.2	172.5	-59	-58.8	-172.1	-101.9	11.6	111.4	V58 E59 F61 Q62 W87 S162 V163 L164 R191 D192	V58-R194 HydrophobicContact CG1-CB 4.05Å; V58-R194 HydrophobicContact CG1-CG 3.97Å; V58-R194 WeakPolarHBondContact O-CD 3.38Å; V58-R194 PolarHBondContact O-NE 2.7Å; E59-R194 PolarHBondContact O-NH2 3.45Å; F61-R194 WeakPolarHBondContact O-CD 3.35Å; Q62-R194 WeakPolarHBondContact O-CA 3.27Å; W87-R194 HydrophobicContact CE3-CG 4.48Å; W87-R194 HydrophobicContact CH2-CG 3.61Å; W87-R194 HydrophobicContact CZ3-CG 3.59Å; S162-R194 PolarHBondContact O-N 2.98Å; V163-R194 WeakPolarHBondContact CA-O 3.46Å; V163-R194 HydrophobicContact CB-CB 4.48Å; V163-R194 HydrophobicContact CG1-CB 4.14Å; V163-R194 HydrophobicContact CG2-CB 4.14Å; L164-R194 PolarHBondContact N-O 2.91Å; R191-R194 PolarHBondContact O-NH1 3.01Å; D192-R194 PolarHBondContact O-N 2.9Å; D192-R194 PolarHBondContact O-NH1 3.2Å
195	V	97.8	Very high	88.7	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.2	175.9	176	0	0	0	0	109.9	Q62 T63 V64 L164 L183 Q187 V197 F211	Q62-V195 PolarHBondContact O-N 3.31Å; T63-V195 CarbonylContact C-O 3.55Å; T63-V195 VanDerWaalsContact CA-O 3.23Å; T63-V195 WeakPolarHBondContact CA-O 3.42Å; T63-V195 HydrophobicContact CG2-CB 4.43Å; T63-V195 HydrophobicContact CG2-CG1 4.43Å; V64-V195 PolarHBondContact N-O 3.33Å; L164-V195 CarbonylContact O-C 3.55Å; L164-V195 VanDerWaalsContact O-CA 3.29Å; L164-V195 WeakPolarHBondContact O-CA 3.37Å; L183-V195 HydrophobicContact CB-CG2 4.46Å; L183-V195 HydrophobicContact CD1-CG2 4.48Å; L183-V195 HydrophobicContact CD2-CG2 4.36Å; Q187-V195 HydrophobicContact CG-CG2 4.15Å; V195-V197 HydrophobicContact CG1-CG2 4.2Å; V195-F211 HydrophobicContact CG1-CZ 4.48Å
196	I	97.9	Very high	88.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.5	171.5	-60.4	176.3	0	0	0	107.7	V58 V64 I66 I78 L82 V163 L164 M165 L166	V58-I196 HydrophobicContact CG2-CD1 3.77Å; V58-I196 HydrophobicContact CG2-CG1 4.08Å; V64-I196 CarbonylContact O-C 3.53Å; V64-I196 VanDerWaalsContact O-CA 3.27Å; V64-I196 WeakPolarHBondContact O-CA 3.35Å; I66-I196 HydrophobicContact CD1-CG2 3.64Å; I66-I196 HydrophobicContact CG1-CG2 4.04Å; I78-I196 HydrophobicContact CG2-CD1 3.87Å; L82-I196 HydrophobicContact CD1-CD1 3.88Å; V163-I196 HydrophobicContact CG1-CD1 4.07Å; V163-I196 HydrophobicContact CG1-CG1 4.24Å; L164-I196 PolarHBondContact O-N 2.9Å; M165-I196 CarbonylContact C-O 3.53Å; M165-I196 VanDerWaalsContact CA-O 3.28Å; M165-I196 WeakPolarHBondContact CA-O 3.41Å; M165-I196 HydrophobicContact CB-CB 4.12Å; M165-I196 HydrophobicContact CG-CB 4.08Å; M165-I196 HydrophobicContact CG-CG2 4.01Å; L166-I196 PolarHBondContact N-O 2.95Å
197	V	96.4	Very high	88.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	107.4	172.6	-176.9	0	0	0	0	107.9	T63 V64 I65 I66 A169 V195 F207 F211	T63-V197 HydrophobicContact CG2-CG2 4.36Å; V64-V197 PolarHBondContact O-N 3.41Å; I65-V197 CarbonylContact C-O 3.59Å; I65-V197 WeakPolarHBondContact CA-O 3.21Å; I65-V197 HydrophobicContact CG1-CB 4.19Å; I66-V197 PolarHBondContact N-O 2.84Å; A169-V197 HydrophobicContact CB-CG1 3.64Å; V195-V197 HydrophobicContact CG1-CG2 4.2Å; V197-F207 HydrophobicContact CG1-CD1 3.93Å; V197-F207 HydrophobicContact CG1-CD2 4.47Å; V197-F207 HydrophobicContact CG1-CE1 4.16Å; V197-F207 HydrophobicContact CG1-CG 4.08Å; V197-F211 HydrophobicContact CG2-CD2 4.24Å; V197-F211 HydrophobicContact CG2-CE2 3.74Å; V197-F211 HydrophobicContact CG2-CZ 4.4Å
198	A	93.3	Very high	88.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.3	179.7	0	0	0	0	0	111.1	I66 K74 M165 L166 D167 E168 A169	I66-A198 WeakPolarHBondContact O-CA 3.23Å; K74-A198 HydrophobicContact CD-CB 4.26Å; M165-A198 HydrophobicContact CE-CB 3.43Å; M165-A198 VanDerWaalsContact CE-CB 3.43Å; L166-A198 PolarHBondContact O-N 3.35Å; D167-A198 HydrophobicContact CB-CB 4.49Å; D167-A198 WeakPolarHBondContact OD1-CB 3.44Å; E168-A198 PolarHBondContact N-O 3.37Å; A169-A198 PolarHBondContact N-O 2.74Å
199	S	87.7	Confident	88.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.2	-175.1	-179.3	0	0	0	0	111.4	I66 V67 G68 T201	I66-S199 PolarHBondContact O-N 2.89Å; V67-S199 WeakPolarHBondContact CA-O 3.27Å; G68-S199 PolarHBondContact N-O 3.41Å; S199-T201 PolarHBondContact OG-N 2.52Å; S199-T201 PolarHBondContact OG-OG1 2.84Å
200	A	79.2	Confident	88.1	Confident	23 Å²	23	49.2 Å²	49.2	19%	0.19	23%	0.231	C	C	.	.	S	Bend	trans	-96.3	-5.5	173	0	0	0	0	0	113.2	G68 T70 H170	G68-A200 WeakPolarHBondContact O-CA 3.22Å; T70-A200 HydrophobicContact CG2-CB 4.49Å; H170-A200 PolarHBondContact ND1-N 2.76Å
201	T	72.1	Confident	88.1	Confident	31 Å²	31	47.5 Å²	47.5	19%	0.19	23%	0.225	C	C	.	.	S	Bend	trans	-114.5	159.5	-173.8	64.1	0	0	0	0	112.6	H170 S199 D203	H170-T201 HydrophobicContact CB-CG2 3.75Å; H170-T201 WeakPolarHBondContact CB-OG1 3.18Å; S199-T201 PolarHBondContact OG-N 2.52Å; S199-T201 PolarHBondContact OG-OG1 2.84Å; T201-D203 PolarHBondContact O-N 3.23Å; T201-D203 VanDerWaalsContact O-N 3.14Å
202	L	57.2	Low	88	Confident	168 Å²	168	42 Å²	42	88%	0.88	21%	0.207	S	C	*	.	S	Bend	trans	-71	3.1	-178	-71	165	0	0	0	114.8	A204	L202-A204 PolarHBondContact O-N 2.92Å
203	D	71.6	Confident	87.5	Confident	43 Å²	43	40.3 Å²	40.3	23%	0.23	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	22.2	-179.7	-148.7	5.1	0	0	0	113.4	T201 K205 K206 F207	T201-D203 PolarHBondContact O-N 3.23Å; T201-D203 VanDerWaalsContact O-N 3.14Å; D203-K205 PolarHBondContact O-N 2.89Å; D203-K206 PolarHBondContact O-N 3.39Å; D203-K206 WeakPolarHBondContact OD1-CD 3.32Å; D203-K206 WeakPolarHBondContact OD1-CE 3.19Å; D203-K206 WeakPolarHBondContact OD1-CG 3.4Å; D203-K206 IonicContact OD1-NZ 2.92Å; D203-K206 PolarHBondContact OD1-NZ 3.29Å; D203-K206 WeakPolarHBondContact OD2-CD 3.35Å; D203-K206 WeakPolarHBondContact OD2-CE 3.45Å; D203-K206 IonicContact OD2-NZ 3.53Å; D203-K206 PolarHBondContact OD2-NZ 3.33Å; D203-F207 WeakPolarHBondContact O-CD2 3.16Å
204	A	82.4	Confident	87	Confident	7 Å²	7	41.6 Å²	41.6	6%	0.058	20%	0.204	C	C	.	.	H	α-helix	trans	-58.1	-32.3	-179.8	0	0	0	0	0	112.7	I65 V67 L202 K206 F207 H208 I226	I65-A204 HydrophobicContact CG2-CB 3.88Å; V67-A204 HydrophobicContact CG2-CB 3.43Å; V67-A204 VanDerWaalsContact CG2-CB 3.43Å; L202-A204 PolarHBondContact O-N 2.92Å; A204-K206 PolarHBondContact O-N 3.22Å; A204-F207 PolarHBondContact O-N 2.68Å; A204-H208 WeakPolarHBondContact O-CB 3.31Å; A204-H208 PolarHBondContact O-N 2.61Å; A204-I226 HydrophobicContact CB-CD1 4.29Å; A204-I226 HydrophobicContact CB-CG2 4.15Å
205	K	86.6	Confident	86.1	Confident	154 Å²	154	48.7 Å²	48.7	67%	0.67	24%	0.239	S	C	*	.	H	α-helix	trans	-61.3	-42.9	178.3	-67.4	-172.3	178.4	-175.3	0	112.3	D203 F207 H208 E209	D203-K205 PolarHBondContact O-N 2.89Å; K205-F207 PolarHBondContact O-N 3.36Å; K205-H208 WeakPolarHBondContact O-CB 3.06Å; K205-H208 PolarHBondContact O-N 3.5Å; K205-H208 VanDerWaalsContact O-N 3.13Å; K205-E209 WeakPolarHBondContact O-CB 3.25Å; K205-E209 WeakPolarHBondContact O-CG 3.47Å; K205-E209 PolarHBondContact O-N 3.34Å
206	K	88.9	Confident	85.3	Confident	103 Å²	103	51.8 Å²	51.8	45%	0.448	26%	0.258	S	S	.	.	H	α-helix	trans	-64.6	-40.7	178	-72.6	-174	-155.4	146.6	0	112.4	D203 A204 H208 F210	D203-K206 PolarHBondContact O-N 3.39Å; D203-K206 WeakPolarHBondContact OD1-CD 3.32Å; D203-K206 WeakPolarHBondContact OD1-CE 3.19Å; D203-K206 WeakPolarHBondContact OD1-CG 3.4Å; D203-K206 IonicContact OD1-NZ 2.92Å; D203-K206 PolarHBondContact OD1-NZ 3.29Å; D203-K206 WeakPolarHBondContact OD2-CD 3.35Å; D203-K206 WeakPolarHBondContact OD2-CE 3.45Å; D203-K206 IonicContact OD2-NZ 3.53Å; D203-K206 PolarHBondContact OD2-NZ 3.33Å; A204-K206 PolarHBondContact O-N 3.22Å; K206-H208 VanDerWaalsContact C-N 3.29Å; K206-H208 PolarHBondContact O-N 2.86Å; K206-F210 WeakPolarHBondContact O-CB 3.4Å; K206-F210 PolarHBondContact O-N 3Å
207	F	91.4	Very high	84.3	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.009	30%	0.3	C	S	.	.	H	α-helix	trans	-64.3	-38.6	174.3	-67.3	-71	0	0	0	111.2	I65 A169 I180 V197 D203 A204 K205 F210 F211 L439	I65-F207 VanDerWaalsContact CD1-C 3.45Å; I65-F207 HydrophobicContact CD1-CB 3.61Å; I65-F207 HydrophobicContact CG1-CB 4Å; A169-F207 HydrophobicContact CB-CE1 4.26Å; A169-F207 HydrophobicContact CB-CZ 3.96Å; I180-F207 HydrophobicContact CD1-CD1 4.31Å; I180-F207 HydrophobicContact CD1-CE1 3.74Å; V197-F207 HydrophobicContact CG1-CD1 3.93Å; V197-F207 HydrophobicContact CG1-CD2 4.47Å; V197-F207 HydrophobicContact CG1-CE1 4.16Å; V197-F207 HydrophobicContact CG1-CG 4.08Å; D203-F207 WeakPolarHBondContact O-CD2 3.16Å; A204-F207 PolarHBondContact O-N 2.68Å; K205-F207 PolarHBondContact O-N 3.36Å; F207-F210 PolarHBondContact O-N 3.4Å; F207-F211 WeakPolarHBondContact O-CD2 3.03Å; F207-F211 PolarHBondContact O-N 3.24Å; F207-L439 HydrophobicContact CD1-CD2 3.74Å; F207-L439 HydrophobicContact CE1-CD2 3.32Å; F207-L439 HydrophobicContact CZ-CD2 4.09Å
208	H	91.4	Very high	83.7	Confident	39 Å²	39	58.4 Å²	58.4	18%	0.181	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-53.5	179.8	178	-87.3	0	0	0	110.9	I65 A204 K205 K206 F210 F211 N212 C224 I226	I65-H208 HydrophobicContact CD1-CB 3.58Å; A204-H208 WeakPolarHBondContact O-CB 3.31Å; A204-H208 PolarHBondContact O-N 2.61Å; K205-H208 WeakPolarHBondContact O-CB 3.06Å; K205-H208 PolarHBondContact O-N 3.5Å; K205-H208 VanDerWaalsContact O-N 3.13Å; K206-H208 VanDerWaalsContact C-N 3.29Å; K206-H208 PolarHBondContact O-N 2.86Å; H208-F210 PolarHBondContact O-N 3.16Å; H208-F211 PolarHBondContact O-N 3.4Å; H208-N212 VanDerWaalsContact O-CB 3.25Å; H208-N212 WeakPolarHBondContact O-CB 3.48Å; H208-N212 PolarHBondContact O-N 2.87Å; H208-C224 PolarHBondContact CD2-O 3.06Å; H208-C224 PolarHBondContact NE2-O 3.05Å; H208-C224 VanDerWaalsContact NE2-O 3.09Å; H208-I226 HydrophobicContact CB-CD1 3.77Å; H208-I226 HydrophobicContact CB-CG1 4.09Å
209	E	90.8	Very high	83.2	Confident	137 Å²	137	62.8 Å²	62.8	64%	0.64	34%	0.342	S	S	*	.	H	α-helix	trans	-57.2	-36.6	174.9	-70.3	166.8	-165.1	0	0	111.8	K205	K205-E209 WeakPolarHBondContact O-CB 3.25Å; K205-E209 WeakPolarHBondContact O-CG 3.47Å; K205-E209 PolarHBondContact O-N 3.34Å
210	F	92.6	Very high	82.9	Confident	21 Å²	21	69.9 Å²	69.9	9%	0.092	38%	0.38	C	S	.	.	H	α-helix	trans	-69.2	-43.4	177.8	-176.1	-91	0	0	0	112.8	I180 K184 K206 F207 H208 S437 L439	I180-F210 HydrophobicContact CG2-CD1 3.67Å; I180-F210 HydrophobicContact CG2-CE1 3.26Å; I180-F210 HydrophobicContact CG2-CZ 3.91Å; K184-F210 HydrophobicContact CB-CE1 3.86Å; K184-F210 HydrophobicContact CB-CZ 4.36Å; K184-F210 HydrophobicContact CD-CD1 3.99Å; K184-F210 HydrophobicContact CD-CE1 3.5Å; K184-F210 HydrophobicContact CD-CE2 4.27Å; K184-F210 HydrophobicContact CD-CZ 3.67Å; K184-F210 VanDerWaalsContact CD-O 3.3Å; K184-F210 WeakPolarHBondContact CD-O 3.4Å; K184-F210 WeakPolarHBondContact CE-O 3.24Å; K184-F210 HydrophobicContact CG-CE1 4.27Å; K184-F210 PolarHBondContact NZ-O 2.99Å; K206-F210 WeakPolarHBondContact O-CB 3.4Å; K206-F210 PolarHBondContact O-N 3Å; F207-F210 PolarHBondContact O-N 3.4Å; H208-F210 PolarHBondContact O-N 3.16Å; F210-S437 VanDerWaalsContact CZ-O 3.28Å; F210-S437 WeakPolarHBondContact CZ-O 3.26Å; F210-L439 HydrophobicContact CB-CD1 3.71Å; F210-L439 HydrophobicContact CD2-CB 4.29Å; F210-L439 HydrophobicContact CD2-CD1 3.82Å; F210-L439 HydrophobicContact CE2-CB 4.3Å; F210-L439 HydrophobicContact CG-CD1 3.79Å
211	F	92.8	Very high	83.2	Confident	1 Å²	1	74.5 Å²	74.5	0%	0.004	40%	0.396	C	S	.	.	H	α-helix	trans	-89.9	-18.1	-176.6	-82.6	-74.6	0	0	0	114.4	T63 I180 K184 V195 V197 F207 H208 L213 C224	T63-F211 HydrophobicContact CG2-CB 3.81Å; T63-F211 HydrophobicContact CG2-CD1 4.18Å; T63-F211 HydrophobicContact CG2-CD2 4Å; T63-F211 HydrophobicContact CG2-CG 3.74Å; I180-F211 HydrophobicContact CB-CZ 4.3Å; I180-F211 HydrophobicContact CG1-CE2 4.46Å; I180-F211 HydrophobicContact CG1-CZ 4.39Å; I180-F211 HydrophobicContact CG2-CE2 3.81Å; I180-F211 HydrophobicContact CG2-CZ 3.76Å; K184-F211 HydrophobicContact CB-CD1 4.38Å; K184-F211 HydrophobicContact CB-CE1 4.15Å; V195-F211 HydrophobicContact CG1-CZ 4.48Å; V197-F211 HydrophobicContact CG2-CD2 4.24Å; V197-F211 HydrophobicContact CG2-CE2 3.74Å; V197-F211 HydrophobicContact CG2-CZ 4.4Å; F207-F211 WeakPolarHBondContact O-CD2 3.03Å; F207-F211 PolarHBondContact O-N 3.24Å; H208-F211 PolarHBondContact O-N 3.4Å; F211-L213 PolarHBondContact O-N 2.98Å; F211-C224 HydrophobicContact CB-CB 4.5Å
212	N	89.4	Confident	84	Confident	32 Å²	32	75 Å²	75	17%	0.171	40%	0.398	C	S	.	.			trans	-65.3	119.9	177.3	-162.3	10.9	0	0	0	109.5	H208 N214 D222 T223 C224	H208-N212 VanDerWaalsContact O-CB 3.25Å; H208-N212 WeakPolarHBondContact O-CB 3.48Å; H208-N212 PolarHBondContact O-N 2.87Å; N212-N214 VanDerWaalsContact OD1-CB 3.29Å; N212-N214 WeakPolarHBondContact OD1-CB 3.41Å; N212-N214 PolarHBondContact OD1-N 3.31Å; N212-D222 PolarHBondContact ND2-OD1 3.5Å; N212-T223 PolarHBondContact OD1-N 3.22Å; N212-C224 HydrophobicContact CB-CB 4.23Å
213	L	84.8	Confident	85.5	Confident	38 Å²	38	68.5 Å²	68.5	20%	0.199	37%	0.365	C	S	.	.			trans	-96	1	177.4	-59.4	179.6	0	0	0	111.5	K188 F211 E215 T223	K188-L213 HydrophobicContact CG-CD1 4.39Å; F211-L213 PolarHBondContact O-N 2.98Å; L213-E215 PolarHBondContact O-N 3.42Å; L213-T223 HydrophobicContact CB-CG2 4.22Å; L213-T223 PolarHBondContact N-OG1 3.44Å
214	N	84.4	Confident	86.5	Confident	28 Å²	28	66.6 Å²	66.6	15%	0.15	36%	0.355	C	S	.	.			trans	-69.3	111	174.8	-170.8	9.4	0	0	0	110.1	N212 T216 D218 D222	N212-N214 VanDerWaalsContact OD1-CB 3.29Å; N212-N214 WeakPolarHBondContact OD1-CB 3.41Å; N212-N214 PolarHBondContact OD1-N 3.31Å; N214-T216 VanDerWaalsContact C-N 3.3Å; N214-T216 PolarHBondContact ND2-O 2.8Å; N214-T216 WeakPolarHBondContact OD1-CA 3.44Å; N214-T216 WeakPolarHBondContact OD1-CB 3.35Å; N214-T216 PolarHBondContact OD1-N 3.38Å; N214-T216 PolarHBondContact OD1-O 2.99Å; N214-T216 PolarHBondContact OD1-OG1 3.31Å; N214-D218 PolarHBondContact ND2-O 3.31Å; N214-D222 PolarHBondContact ND2-OD1 2.89Å
215	E	79.6	Confident	87.1	Confident	194 Å²	194	66.6 Å²	66.6	91%	0.907	36%	0.355	S	S	*	.			trans	-89.3	-1.6	173.9	-64.2	178.9	176.6	0	0	111.8	L213	L213-E215 PolarHBondContact O-N 3.42Å
216	T	80.8	Confident	87.4	Confident	66 Å²	66	62.6 Å²	62.6	41%	0.405	34%	0.341	S	S	.	.	S	Bend	trans	-103.1	158	179.9	75.7	0	0	0	0	111.3	N214 D218	N214-T216 VanDerWaalsContact C-N 3.3Å; N214-T216 PolarHBondContact ND2-O 2.8Å; N214-T216 WeakPolarHBondContact OD1-CA 3.44Å; N214-T216 WeakPolarHBondContact OD1-CB 3.35Å; N214-T216 PolarHBondContact OD1-N 3.38Å; N214-T216 PolarHBondContact OD1-O 2.99Å; N214-T216 PolarHBondContact OD1-OG1 3.31Å; T216-D218 PolarHBondContact O-N 2.63Å
217	G	76.8	Confident	87.7	Confident	85 Å²	85	58.6 Å²	58.6	88%	0.876	32%	0.324	S	S	*	.	S	Bend	trans	-78.8	6.9	175.3	0	0	0	0	0	115.1	P219	G217-P219 WeakPolarHBondContact O-CD 3.27Å
218	D	84.4	Confident	87.7	Confident	55 Å²	55	62.6 Å²	62.6	29%	0.294	35%	0.349	S	S	.	.			trans	-90.2	111.2	-178	177	7.3	0	0	0	110.6	N214 T216 N220 K221	N214-D218 PolarHBondContact ND2-O 3.31Å; T216-D218 PolarHBondContact O-N 2.63Å; D218-N220 PolarHBondContact O-N 3.21Å; D218-N220 VanDerWaalsContact O-N 3.14Å; D218-N220 WeakPolarHBondContact OD1-CB 3.38Å; D218-N220 PolarHBondContact OD1-N 2.74Å; D218-N220 VanDerWaalsContact OD1-N 3.08Å; D218-N220 PolarHBondContact OD1-ND2 2.71Å; D218-K221 HydrophobicContact CB-CD 4.44Å; D218-K221 PolarHBondContact O-N 3.38Å; D218-K221 VanDerWaalsContact O-N 3.14Å; D218-K221 WeakPolarHBondContact OD2-CE 3.44Å
219	P	81.8	Confident	87.5	Confident	92 Å²	92	60.9 Å²	60.9	60%	0.597	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-61.8	-21.9	-177.6	-23	34.7	0	0	0	114.2	G217 K221 D222	G217-P219 WeakPolarHBondContact O-CD 3.27Å; P219-K221 PolarHBondContact O-N 3Å; P219-K221 VanDerWaalsContact O-N 3.16Å; P219-D222 WeakPolarHBondContact O-CB 3.39Å; P219-D222 PolarHBondContact O-N 2.92Å; P219-D222 VanDerWaalsContact O-N 3.14Å
220	N	82.3	Confident	86.8	Confident	149 Å²	149	62 Å²	62	80%	0.797	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-69.1	-13.1	179.4	-60.5	-58.2	0	0	0	113	D218	D218-N220 PolarHBondContact O-N 3.21Å; D218-N220 VanDerWaalsContact O-N 3.14Å; D218-N220 WeakPolarHBondContact OD1-CB 3.38Å; D218-N220 PolarHBondContact OD1-N 2.74Å; D218-N220 VanDerWaalsContact OD1-N 3.08Å; D218-N220 PolarHBondContact OD1-ND2 2.71Å
221	K	85.4	Confident	85.6	Confident	119 Å²	119	62.4 Å²	62.4	52%	0.517	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-100.3	4.7	177.6	-63.2	-179.7	-173.4	171.3	0	112.8	D218 P219 T223	D218-K221 HydrophobicContact CB-CD 4.44Å; D218-K221 PolarHBondContact O-N 3.38Å; D218-K221 VanDerWaalsContact O-N 3.14Å; D218-K221 WeakPolarHBondContact OD2-CE 3.44Å; P219-K221 PolarHBondContact O-N 3Å; P219-K221 VanDerWaalsContact O-N 3.16Å; K221-T223 PolarHBondContact O-N 3.46Å
222	D	88.1	Confident	84.4	Confident	43 Å²	43	69.2 Å²	69.2	23%	0.23	38%	0.382	C	S	.	.			trans	-60.5	132.4	177.3	-76.7	-16	0	0	0	110.4	F61 N212 N214 P219	F61-D222 VanDerWaalsContact CD1-O 3.25Å; F61-D222 WeakPolarHBondContact CD1-O 3.42Å; F61-D222 HydrophobicContact CE1-CB 4.4Å; F61-D222 VanDerWaalsContact CE1-O 3.26Å; F61-D222 WeakPolarHBondContact CE1-O 3.46Å; N212-D222 PolarHBondContact ND2-OD1 3.5Å; N214-D222 PolarHBondContact ND2-OD1 2.89Å; P219-D222 WeakPolarHBondContact O-CB 3.39Å; P219-D222 PolarHBondContact O-N 2.92Å; P219-D222 VanDerWaalsContact O-N 3.14Å
223	T	89	Confident	83.5	Confident	30 Å²	30	70.7 Å²	70.7	18%	0.184	39%	0.393	C	S	.	.	S	Bend	trans	-98.3	1.5	178.8	64.5	0	0	0	0	112.1	Q62 T63 N212 L213 K221	Q62-T223 PolarHBondContact N-O 3.45Å; Q62-T223 VanDerWaalsContact N-O 3.16Å; T63-T223 PolarHBondContact N-O 3.2Å; T63-T223 VanDerWaalsContact N-O 3.1Å; N212-T223 PolarHBondContact OD1-N 3.22Å; L213-T223 HydrophobicContact CB-CG2 4.22Å; L213-T223 PolarHBondContact N-OG1 3.44Å; K221-T223 PolarHBondContact O-N 3.46Å
224	C	93.6	Very high	83.5	Confident	3 Å²	3	73.2 Å²	73.2	2%	0.02	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.4	-177.1	-165.8	0	0	0	0	110.6	T63 I65 H208 F211 N212	T63-C224 CarbonylContact O-C 3.58Å; T63-C224 VanDerWaalsContact O-CA 3.24Å; T63-C224 WeakPolarHBondContact O-CA 3.38Å; I65-C224 VanDerWaalsContact CD1-SG 3.52Å; H208-C224 PolarHBondContact CD2-O 3.06Å; H208-C224 PolarHBondContact NE2-O 3.05Å; H208-C224 VanDerWaalsContact NE2-O 3.09Å; F211-C224 HydrophobicContact CB-CB 4.5Å; N212-C224 HydrophobicContact CB-CB 4.23Å
225	G	93.6	Very high	83.8	Confident	7 Å²	7	76.3 Å²	76.3	7%	0.072	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	155	172.8	0	0	0	0	0	112.1	T63 I65	T63-G225 PolarHBondContact O-N 3.08Å; I65-G225 PolarHBondContact N-O 3.45Å
226	I	93.9	Very high	84.5	Confident	71 Å²	71	68.8 Å²	68.8	36%	0.364	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.6	170.6	-53.7	178.2	0	0	0	108.9	I65 V67 A204 H208	I65-I226 HydrophobicContact CB-CG1 4.35Å; I65-I226 HydrophobicContact CD1-CG1 4.27Å; I65-I226 CarbonylContact O-C 3.58Å; I65-I226 WeakPolarHBondContact O-CA 3.26Å; V67-I226 HydrophobicContact CG2-CG2 4.3Å; A204-I226 HydrophobicContact CB-CD1 4.29Å; A204-I226 HydrophobicContact CB-CG2 4.15Å; H208-I226 HydrophobicContact CB-CD1 3.77Å; H208-I226 HydrophobicContact CB-CG1 4.09Å
227	L	94	Very high	85.2	Confident	18 Å²	18	70.1 Å²	70.1	9%	0.094	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.5	170.5	-179.7	70.5	0	0	0	109.7	H50 N53 I54 L57 I65 I66 V67 V229	H50-L227 HydrophobicContact CB-CD2 4.24Å; N53-L227 HydrophobicContact CB-CD1 4.43Å; I54-L227 HydrophobicContact CD1-CD2 4.18Å; I54-L227 HydrophobicContact CG1-CD2 3.33Å; L57-L227 HydrophobicContact CD1-CB 3.73Å; L57-L227 HydrophobicContact CD1-CD1 4.24Å; L57-L227 HydrophobicContact CD1-CD2 4.32Å; L57-L227 HydrophobicContact CD1-CG 4.32Å; I65-L227 PolarHBondContact O-N 3.33Å; I66-L227 WeakPolarHBondContact CA-O 3.25Å; V67-L227 PolarHBondContact N-O 3.11Å; L227-V229 HydrophobicContact CD2-CG2 4.46Å
228	T	91.8	Very high	86.2	Confident	86 Å²	86	69.1 Å²	69.1	53%	0.528	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.4	171.5	-55.3	0	0	0	0	109.4	V67	V67-T228 CarbonylContact O-C 3.53Å; V67-T228 WeakPolarHBondContact O-CA 3.11Å
229	V	87.1	Confident	86.9	Confident	3 Å²	3	70.6 Å²	70.6	2%	0.018	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	110.1	172	179.1	0	0	0	0	107.4	P46 I66 V67 C72 L227 G231	P46-V229 HydrophobicContact CB-CG1 4.13Å; I66-V229 HydrophobicContact CG2-CG2 4.11Å; V67-V229 PolarHBondContact O-N 2.88Å; C72-V229 HydrophobicContact CB-CG1 4.39Å; L227-V229 HydrophobicContact CD2-CG2 4.46Å; V229-G231 PolarHBondContact O-N 3.44Å
230	E	77.8	Confident	87.6	Confident	160 Å²	160	69.4 Å²	69.4	75%	0.748	36%	0.357	S	S	*	.			trans	-63.1	131.8	177.4	-65.9	-178.4	172.4	0	0	110.8
231	G	67.2	Low	88.3	Confident	30 Å²	30	64 Å²	64	31%	0.309	33%	0.33	S	S	.	.			trans	-73	171	176	0	0	0	0	0	112.6	E69 V229	E69-G231 WeakPolarHBondContact OE2-CA 3.4Å; V229-G231 PolarHBondContact O-N 3.44Å
232	R	66	Low	88.8	Confident	144 Å²	144	65.6 Å²	65.6	54%	0.543	35%	0.35	S	S	.	.			trans	-110.2	48.5	165.1	-69.1	-174.8	-173.3	176	6.9	109.5	K44 P46	K44-R232 PolarHBondContact O-NH1 2.95Å; K44-R232 PolarHBondContact O-NH2 2.56Å; P46-R232 HydrophobicContact CG-CG 4.18Å
233	T	71.1	Confident	89	Confident	64 Å²	64	67.3 Å²	67.3	39%	0.393	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-78.6	124.6	176.7	28.2	0	0	0	0	109.8	E69 G386	E69-T233 WeakPolarHBondContact OE1-CG2 3.1Å; E69-T233 PolarHBondContact OE1-OG1 3.13Å; E69-T233 WeakPolarHBondContact OE2-CG2 3.3Å; E69-T233 PolarHBondContact OE2-OG1 3.14Å; T233-G386 WeakPolarHBondContact CA-O 3.36Å
234	F	85.3	Confident	89.2	Confident	91 Å²	91	70.3 Å²	70.3	40%	0.399	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-75.9	154.2	167.8	-66.7	-90.8	0	0	0	109.4	G386 N388 R389 P390	F234-G386 PolarHBondContact N-O 3.46Å; F234-N388 VanDerWaalsContact CE2-C 3.43Å; F234-N388 WeakPolarHBondContact CE2-O 3.42Å; F234-R389 WeakPolarHBondContact CB-O 3.48Å; F234-R389 VanDerWaalsContact CD2-CA 3.48Å; F234-R389 VanDerWaalsContact CG-CA 3.49Å; F234-P390 HydrophobicContact CB-CG 4.25Å; F234-P390 HydrophobicContact CD1-CG 4.24Å
235	P	90.9	Very high	89.3	Confident	93 Å²	93	72.3 Å²	72.3	60%	0.604	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-58.1	142.8	178.8	23.7	-33.9	0	0	0	111.5	P390 G391	P235-P390 HydrophobicContact CG-CB 4.31Å; P235-P390 HydrophobicContact CG-CG 4.34Å; P235-P390 WeakPolarHBondContact O-CA 3.16Å; P235-G391 PolarHBondContact O-N 3.48Å
236	V	93.6	Very high	89.2	Confident	36 Å²	36	78.5 Å²	78.5	22%	0.218	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.2	176.7	-177.5	0	0	0	0	109.1	I238 A385 G386 G391 C393	V236-I238 HydrophobicContact CG1-CD1 4.04Å; V236-A385 HydrophobicContact CG1-CB 3.93Å; V236-A385 HydrophobicContact CG2-CB 4.14Å; V236-G386 VanDerWaalsContact CG2-CA 3.47Å; V236-G391 VanDerWaalsContact CA-O 3.29Å; V236-G391 WeakPolarHBondContact CA-O 3.39Å; V236-C393 HydrophobicContact CG1-CB 3.92Å
237	D	96.6	Very high	89.2	Confident	94 Å²	94	78.6 Å²	78.6	50%	0.503	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	130.6	174.8	-61	-36.6	0	0	0	109.8	F239 G391 K392 C393	D237-F239 HydrophobicContact CB-CE2 3.64Å; D237-F239 HydrophobicContact CB-CZ 4.01Å; D237-G391 PolarHBondContact N-O 2.87Å; D237-K392 HydrophobicContact CB-CG 4.32Å; D237-K392 CarbonylContact O-C 3.54Å; D237-K392 WeakPolarHBondContact O-CA 3.32Å; D237-C393 PolarHBondContact O-N 2.84Å
238	I	97.8	Very high	89.3	Confident	64 Å²	64	79.8 Å²	79.8	33%	0.328	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125	-178.3	-50.6	-58.5	0	0	0	109.4	V236 Y240 A382 C393 R395	V236-I238 HydrophobicContact CG1-CD1 4.04Å; I238-Y240 HydrophobicContact CG2-CD2 4.42Å; I238-Y240 HydrophobicContact CG2-CE1 4.27Å; I238-Y240 HydrophobicContact CG2-CE2 3.8Å; I238-A382 HydrophobicContact CD1-CB 3.79Å; I238-C393 HydrophobicContact CD1-CB 3.7Å; I238-R395 HydrophobicContact CG2-CG 4.39Å
239	F	97.8	Very high	89.5	Confident	86 Å²	86	76.2 Å²	76.2	38%	0.377	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.3	175.9	-59.5	-89.3	0	0	0	109.6	D237 K392 C393 F394 R395	D237-F239 HydrophobicContact CB-CE2 3.64Å; D237-F239 HydrophobicContact CB-CZ 4.01Å; F239-K392 HydrophobicContact CD2-CB 4.35Å; F239-K392 HydrophobicContact CE2-CB 3.91Å; F239-K392 HydrophobicContact CE2-CD 3.81Å; F239-K392 HydrophobicContact CE2-CG 3.87Å; F239-K392 HydrophobicContact CZ-CD 4.27Å; F239-C393 PolarHBondContact N-O 2.84Å; F239-F394 HydrophobicContact CB-CD1 3.97Å; F239-F394 HydrophobicContact CB-CE1 4.43Å; F239-F394 HydrophobicContact CD2-CD1 4.1Å; F239-F394 AromaticContact CD2-CE1 3.9Å; F239-F394 HydrophobicContact CD2-CE1 3.9Å; F239-F394 HydrophobicContact CD2-CZ 4.4Å; F239-F394 HydrophobicContact CE2-CE1 4.42Å; F239-F394 HydrophobicContact CG-CD1 4.17Å; F239-F394 HydrophobicContact CG-CE1 4.15Å; F239-R395 WeakPolarHBondContact O-CB 3.42Å; F239-R395 PolarHBondContact O-N 2.98Å
240	Y	97.8	Very high	89.9	Confident	66 Å²	66	82 Å²	82	26%	0.259	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	156.6	174.8	-59.9	-85.5	0	0	0	110.4	I238 R395 Y397 E399 Y402	I238-Y240 HydrophobicContact CG2-CD2 4.42Å; I238-Y240 HydrophobicContact CG2-CE1 4.27Å; I238-Y240 HydrophobicContact CG2-CE2 3.8Å; Y240-R395 HydrophobicContact CD1-CB 3.92Å; Y240-R395 HydrophobicContact CD1-CG 4.45Å; Y240-R395 HydrophobicContact CE1-CB 4.35Å; Y240-R395 HydrophobicContact CE1-CG 4.4Å; Y240-R395 PolarHBondContact OH-NH1 2.87Å; Y240-Y397 WeakPolarHBondContact CB-O 3.29Å; Y240-Y397 HydrophobicContact CE1-CE2 4.43Å; Y240-E399 HydrophobicContact CD1-CB 4.18Å; Y240-E399 HydrophobicContact CD2-CB 3.87Å; Y240-E399 HydrophobicContact CD2-CG 4.2Å; Y240-E399 HydrophobicContact CE1-CB 4.4Å; Y240-E399 HydrophobicContact CE2-CB 4.1Å; Y240-E399 HydrophobicContact CE2-CG 3.93Å; Y240-E399 HydrophobicContact CG-CB 3.9Å; Y240-Y402 HydrophobicContact CE1-CD1 4.47Å; Y240-Y402 HydrophobicContact CE1-CG 4.02Å
241	T	96.8	Very high	90.9	Very high	37 Å²	37	74.9 Å²	74.9	23%	0.227	41%	0.412	C	S	.	.			trans	-75.6	147	168.8	59.1	0	0	0	0	110.3	S243 V245 R395 Y397 T398	T241-S243 VanDerWaalsContact C-N 3.34Å; T241-S243 WeakPolarHBondContact CB-O 3.37Å; T241-S243 PolarHBondContact OG1-O 3.08Å; T241-V245 HydrophobicContact CG2-CG2 3.78Å; T241-R395 PolarHBondContact N-O 2.85Å; T241-Y397 PolarHBondContact N-O 2.88Å; T241-Y397 VanDerWaalsContact N-O 3.12Å; T241-Y397 VanDerWaalsContact OG1-C 3.22Å; T241-Y397 WeakPolarHBondContact OG1-CA 3.35Å; T241-Y397 PolarHBondContact OG1-N 2.98Å; T241-Y397 PolarHBondContact OG1-O 2.81Å; T241-T398 WeakPolarHBondContact O-CA 3.4Å
242	V	94.9	Very high	92.3	Very high	152 Å²	152	73.5 Å²	73.5	92%	0.921	40%	0.398	S	S	*	.	S	Bend	trans	-71.7	-32.6	178.1	-179.6	0	0	0	0	111.2
243	S	93.5	Very high	93.8	Very high	79 Å²	79	66.8 Å²	66.8	55%	0.552	37%	0.373	S	S	*	.	S	Bend	trans	-129.5	158.6	177.6	57.7	0	0	0	0	111.5	T241	T241-S243 VanDerWaalsContact C-N 3.34Å; T241-S243 WeakPolarHBondContact CB-O 3.37Å; T241-S243 PolarHBondContact OG1-O 3.08Å
244	P	92.7	Very high	95.1	Very high	93 Å²	93	67.5 Å²	67.5	60%	0.604	37%	0.372	S	S	*	.			trans	-59.3	138.7	176.3	-25.5	35.2	0	0	0	112.7	T398	P244-T398 HydrophobicContact CG-CG2 4.24Å
245	V	94.4	Very high	95.6	Very high	44 Å²	44	64.3 Å²	64.3	27%	0.267	36%	0.36	S	S	.	.			trans	-94.8	117.5	-178.4	178.8	0	0	0	0	110.2	T241 A251 L396	T241-V245 HydrophobicContact CG2-CG2 3.78Å; V245-A251 HydrophobicContact CG1-CB 3.47Å; V245-A251 VanDerWaalsContact CG1-CB 3.47Å; V245-L396 HydrophobicContact CG2-CB 4.49Å; V245-L396 WeakPolarHBondContact CG2-O 3.33Å
246	P	91.5	Very high	96	Very high	138 Å²	138	60 Å²	60	90%	0.896	33%	0.331	S	S	*	.	S	Bend	trans	-74.5	-33.7	-178	27.3	-33.4	0	0	0	113.5
247	D	94.9	Very high	96	Very high	72 Å²	72	58.9 Å²	58.9	39%	0.385	32%	0.324	S	S	.	.			trans	-127	93	177.4	-174.7	-17.3	0	0	0	110	V249 K250 A251	D247-V249 PolarHBondContact O-N 2.9Å; D247-V249 WeakPolarHBondContact OD1-CA 3.47Å; D247-V249 VanDerWaalsContact OD1-CB 3.28Å; D247-V249 WeakPolarHBondContact OD1-CB 3.2Å; D247-V249 PolarHBondContact OD1-N 3.37Å; D247-K250 HydrophobicContact CB-CB 4.22Å; D247-K250 PolarHBondContact O-N 3.25Å; D247-K250 PolarHBondContact OD1-N 3.48Å; D247-A251 WeakPolarHBondContact O-CB 3.43Å; D247-A251 PolarHBondContact O-N 3.09Å
248	Y	95.8	Very high	95.9	Very high	44 Å²	44	59.8 Å²	59.8	17%	0.173	32%	0.324	C	S	.	.	H	α-helix	trans	-69.1	-20.5	179	61	-101.8	0	0	0	113	T252 L272 E277 C351 F353	Y248-T252 VanDerWaalsContact O-CB 3.28Å; Y248-T252 WeakPolarHBondContact O-CB 3.41Å; Y248-T252 PolarHBondContact O-N 3.41Å; Y248-T252 PolarHBondContact O-OG1 3.44Å; Y248-L272 HydrophobicContact CD2-CD2 3.88Å; Y248-L272 HydrophobicContact CE2-CD2 4.06Å; Y248-E277 PolarHBondContact OH-OE1 3.1Å; Y248-E277 VanDerWaalsContact OH-OE1 3.11Å; Y248-E277 PolarHBondContact OH-OE2 2.95Å; Y248-C351 HydrophobicContact CD2-CB 3.8Å; Y248-C351 HydrophobicContact CE2-CB 4.47Å; Y248-C351 HydrophobicContact CG-CB 4.06Å; Y248-F353 AromaticContact CD1-CD2 3.92Å; Y248-F353 HydrophobicContact CD1-CD2 3.92Å; Y248-F353 AromaticContact CD1-CE2 3.97Å; Y248-F353 HydrophobicContact CD1-CE2 3.97Å; Y248-F353 AromaticContact CE1-CD2 3.75Å; Y248-F353 HydrophobicContact CE1-CD2 3.75Å; Y248-F353 HydrophobicContact CE1-CE2 4.03Å
249	V	96.2	Very high	95.8	Very high	11 Å²	11	57 Å²	57	7%	0.067	31%	0.309	C	S	.	.	H	α-helix	trans	-68.4	-48.9	175.5	167.8	0	0	0	0	109.1	D247 T252 V253 E277 K280 V281	D247-V249 PolarHBondContact O-N 2.9Å; D247-V249 WeakPolarHBondContact OD1-CA 3.47Å; D247-V249 VanDerWaalsContact OD1-CB 3.28Å; D247-V249 WeakPolarHBondContact OD1-CB 3.2Å; D247-V249 PolarHBondContact OD1-N 3.37Å; V249-T252 PolarHBondContact O-N 2.9Å; V249-V253 PolarHBondContact O-N 3.23Å; V249-E277 HydrophobicContact CG2-CB 4.21Å; V249-E277 HydrophobicContact CG2-CG 4.02Å; V249-K280 HydrophobicContact CG1-CD 4.03Å; V249-K280 HydrophobicContact CG1-CG 4.24Å; V249-V281 HydrophobicContact CB-CG2 4.38Å; V249-V281 HydrophobicContact CG1-CG2 3.61Å
250	K	96.3	Very high	95.6	Very high	123 Å²	123	54 Å²	54	54%	0.535	30%	0.296	S	S	.	.	H	α-helix	trans	-64.9	-46.2	175.5	-169.1	-171.1	-178.4	-151.4	0	111.6	D247 T252 V253 E254	D247-K250 HydrophobicContact CB-CB 4.22Å; D247-K250 PolarHBondContact O-N 3.25Å; D247-K250 PolarHBondContact OD1-N 3.48Å; K250-T252 PolarHBondContact O-N 3.12Å; K250-V253 WeakPolarHBondContact O-CB 3.5Å; K250-V253 PolarHBondContact O-N 3.36Å; K250-V253 VanDerWaalsContact O-N 3.1Å; K250-E254 WeakPolarHBondContact CE-OE1 3.35Å; K250-E254 IonicContact NZ-OE1 2.7Å; K250-E254 PolarHBondContact NZ-OE1 3.04Å; K250-E254 PolarHBondContact O-N 3.01Å
251	A	97.3	Very high	95.3	Very high	12 Å²	12	56.8 Å²	56.8	10%	0.099	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-32.1	179.1	0	0	0	0	0	112.7	V245 D247 T255 L396	V245-A251 HydrophobicContact CG1-CB 3.47Å; V245-A251 VanDerWaalsContact CG1-CB 3.47Å; D247-A251 WeakPolarHBondContact O-CB 3.43Å; D247-A251 PolarHBondContact O-N 3.09Å; A251-T255 VanDerWaalsContact O-CB 3.25Å; A251-T255 WeakPolarHBondContact O-CB 3.22Å; A251-T255 PolarHBondContact O-N 2.88Å; A251-T255 PolarHBondContact O-OG1 3.23Å; A251-L396 HydrophobicContact CB-CD1 4.25Å; A251-L396 HydrophobicContact CB-CD2 4.45Å
252	T	98.1	Very high	95	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-49.5	172.1	-63.6	0	0	0	0	110.7	Y248 V249 K250 E254 T255 V256 A270 V281 I349 L396	Y248-T252 VanDerWaalsContact O-CB 3.28Å; Y248-T252 WeakPolarHBondContact O-CB 3.41Å; Y248-T252 PolarHBondContact O-N 3.41Å; Y248-T252 PolarHBondContact O-OG1 3.44Å; V249-T252 PolarHBondContact O-N 2.9Å; K250-T252 PolarHBondContact O-N 3.12Å; T252-E254 PolarHBondContact O-N 3.4Å; T252-T255 PolarHBondContact O-N 3.26Å; T252-V256 HydrophobicContact CG2-CG2 4.46Å; T252-V256 VanDerWaalsContact O-CG2 3.3Å; T252-V256 WeakPolarHBondContact O-CG2 3.35Å; T252-V256 PolarHBondContact O-N 2.89Å; T252-A270 HydrophobicContact CG2-CB 3.71Å; T252-V281 HydrophobicContact CG2-CG1 4.12Å; T252-I349 HydrophobicContact CG2-CG2 4.35Å; T252-L396 WeakPolarHBondContact OG1-CD1 3.4Å
253	V	97.6	Very high	94.9	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.024	30%	0.301	C	S	.	.	H	α-helix	trans	-57.9	-51	178	174.8	0	0	0	0	110.5	V249 K250 T255 V256 M257 V281 L284 L285	V249-V253 PolarHBondContact O-N 3.23Å; K250-V253 WeakPolarHBondContact O-CB 3.5Å; K250-V253 PolarHBondContact O-N 3.36Å; K250-V253 VanDerWaalsContact O-N 3.1Å; V253-T255 VanDerWaalsContact C-N 3.31Å; V253-T255 PolarHBondContact O-N 2.8Å; V253-V256 PolarHBondContact O-N 2.8Å; V253-M257 WeakPolarHBondContact O-CG 3.36Å; V253-M257 PolarHBondContact O-N 3.26Å; V253-M257 VanDerWaalsContact O-N 3.09Å; V253-V281 HydrophobicContact CG2-CB 4.33Å; V253-V281 HydrophobicContact CG2-CG1 3.93Å; V253-V281 HydrophobicContact CG2-CG2 4.18Å; V253-L284 HydrophobicContact CG1-CB 4.34Å; V253-L284 HydrophobicContact CG2-CB 3.87Å; V253-L284 HydrophobicContact CG2-CD1 4.07Å; V253-L285 HydrophobicContact CB-CD2 4.41Å; V253-L285 HydrophobicContact CG1-CD2 3.93Å; V253-L285 HydrophobicContact CG1-CG 4.41Å; V253-L285 HydrophobicContact CG2-CG 4.36Å
254	E	96.7	Very high	94.7	Very high	79 Å²	79	59.1 Å²	59.1	37%	0.369	31%	0.307	S	S	.	.	H	α-helix	trans	-59.4	-40.9	179.4	-68.4	174.9	-174.6	0	0	112.3	K250 T252 M257 K258	K250-E254 WeakPolarHBondContact CE-OE1 3.35Å; K250-E254 IonicContact NZ-OE1 2.7Å; K250-E254 PolarHBondContact NZ-OE1 3.04Å; K250-E254 PolarHBondContact O-N 3.01Å; T252-E254 PolarHBondContact O-N 3.4Å; E254-M257 PolarHBondContact O-N 3.43Å; E254-K258 WeakPolarHBondContact O-CG 3.48Å; E254-K258 PolarHBondContact O-N 3.12Å
255	T	97.6	Very high	94.5	Very high	24 Å²	24	58.3 Å²	58.3	15%	0.147	30%	0.298	C	S	.	.	H	α-helix	trans	-68.3	-41.6	179.1	-57.1	0	0	0	0	111.5	A251 T252 V253 M257 K258 I259 I349 F394	A251-T255 VanDerWaalsContact O-CB 3.25Å; A251-T255 WeakPolarHBondContact O-CB 3.22Å; A251-T255 PolarHBondContact O-N 2.88Å; A251-T255 PolarHBondContact O-OG1 3.23Å; T252-T255 PolarHBondContact O-N 3.26Å; V253-T255 VanDerWaalsContact C-N 3.31Å; V253-T255 PolarHBondContact O-N 2.8Å; T255-M257 VanDerWaalsContact C-N 3.31Å; T255-M257 PolarHBondContact O-N 2.86Å; T255-K258 PolarHBondContact O-N 2.8Å; T255-I259 HydrophobicContact CG2-CD1 3.88Å; T255-I259 HydrophobicContact CG2-CG1 4.48Å; T255-I259 WeakPolarHBondContact O-CB 3.27Å; T255-I259 WeakPolarHBondContact O-CD1 3.41Å; T255-I259 VanDerWaalsContact O-CG1 3.26Å; T255-I259 WeakPolarHBondContact O-CG1 3.47Å; T255-I259 PolarHBondContact O-N 3.06Å; T255-I349 HydrophobicContact CG2-CD1 3.8Å; T255-I349 HydrophobicContact CG2-CG1 3.95Å; T255-F394 HydrophobicContact CG2-CB 4.05Å; T255-F394 HydrophobicContact CG2-CG 4.2Å
256	V	97.4	Very high	94.3	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-58.5	-44	174.6	169.9	0	0	0	0	110.9	T252 V253 I259 H260 V268 L285 I329 I349	T252-V256 HydrophobicContact CG2-CG2 4.46Å; T252-V256 VanDerWaalsContact O-CG2 3.3Å; T252-V256 WeakPolarHBondContact O-CG2 3.35Å; T252-V256 PolarHBondContact O-N 2.89Å; V253-V256 PolarHBondContact O-N 2.8Å; V256-I259 PolarHBondContact O-N 2.73Å; V256-H260 WeakPolarHBondContact O-CB 3.49Å; V256-H260 PolarHBondContact O-N 3.06Å; V256-V268 HydrophobicContact CG2-CG1 4.22Å; V256-L285 HydrophobicContact CB-CD2 3.83Å; V256-L285 HydrophobicContact CG1-CD1 4.18Å; V256-L285 HydrophobicContact CG1-CD2 3.59Å; V256-L285 HydrophobicContact CG2-CD1 4.37Å; V256-L285 HydrophobicContact CG2-CD2 4.47Å; V256-I329 HydrophobicContact CG1-CD1 3.43Å; V256-I329 VanDerWaalsContact CG1-CD1 3.43Å; V256-I329 HydrophobicContact CG1-CG1 3.93Å; V256-I329 HydrophobicContact CG1-CG2 4.05Å; V256-I329 HydrophobicContact CG2-CG2 4.33Å; V256-I349 HydrophobicContact CB-CD1 4.33Å; V256-I349 HydrophobicContact CG2-CD1 3.37Å
257	M	95.1	Very high	94.5	Very high	13 Å²	13	51 Å²	51	6%	0.064	25%	0.252	C	S	.	.	H	α-helix	trans	-67.2	-43.4	179.5	-62.5	-42.7	-66	0	0	112.5	V253 E254 T255 I259 H260 E261 L285 Q288 L292 L301	V253-M257 WeakPolarHBondContact O-CG 3.36Å; V253-M257 PolarHBondContact O-N 3.26Å; V253-M257 VanDerWaalsContact O-N 3.09Å; E254-M257 PolarHBondContact O-N 3.43Å; T255-M257 VanDerWaalsContact C-N 3.31Å; T255-M257 PolarHBondContact O-N 2.86Å; M257-I259 VanDerWaalsContact C-N 3.32Å; M257-I259 PolarHBondContact O-N 2.85Å; M257-H260 WeakPolarHBondContact O-CA 3.4Å; M257-H260 WeakPolarHBondContact O-CB 3.48Å; M257-H260 PolarHBondContact O-N 2.71Å; M257-E261 WeakPolarHBondContact O-CG 3.43Å; M257-E261 PolarHBondContact O-N 3.47Å; M257-L285 HydrophobicContact CG-CD2 4.47Å; M257-L285 HydrophobicContact SD-CD2 3.81Å; M257-Q288 HydrophobicContact CE-CB 4.25Å; M257-Q288 HydrophobicContact SD-CB 4.25Å; M257-Q288 PolarHBondContact SD-OE1 3.26Å; M257-L292 HydrophobicContact CE-CD1 3.1Å; M257-L292 HydrophobicContact CE-CG 4.39Å; M257-L301 HydrophobicContact CE-CD1 4.1Å; M257-L301 HydrophobicContact SD-CD1 4.17Å
258	K	94.9	Very high	94.6	Very high	114 Å²	114	47.6 Å²	47.6	50%	0.496	23%	0.234	S	C	.	.	H	α-helix	trans	-58.8	-44.7	174.3	-73.3	174.3	-177.1	176	0	111.8	E254 T255 H260 E261 M262	E254-K258 WeakPolarHBondContact O-CG 3.48Å; E254-K258 PolarHBondContact O-N 3.12Å; T255-K258 PolarHBondContact O-N 2.8Å; K258-H260 VanDerWaalsContact C-N 3.3Å; K258-H260 PolarHBondContact O-N 2.91Å; K258-E261 PolarHBondContact O-N 3.13Å; K258-M262 WeakPolarHBondContact O-CB 3.46Å; K258-M262 WeakPolarHBondContact O-CG 3.43Å; K258-M262 PolarHBondContact O-N 2.76Å
259	I	95.4	Very high	94.7	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-58.7	-46.3	174	-70.9	162.8	0	0	0	109.6	T255 V256 M257 E261 E263 V268 R327 F347 I349 F394	T255-I259 HydrophobicContact CG2-CD1 3.88Å; T255-I259 HydrophobicContact CG2-CG1 4.48Å; T255-I259 WeakPolarHBondContact O-CB 3.27Å; T255-I259 WeakPolarHBondContact O-CD1 3.41Å; T255-I259 VanDerWaalsContact O-CG1 3.26Å; T255-I259 WeakPolarHBondContact O-CG1 3.47Å; T255-I259 PolarHBondContact O-N 3.06Å; V256-I259 PolarHBondContact O-N 2.73Å; M257-I259 VanDerWaalsContact C-N 3.32Å; M257-I259 PolarHBondContact O-N 2.85Å; I259-E261 VanDerWaalsContact C-N 3.31Å; I259-E261 PolarHBondContact O-N 2.81Å; I259-E263 HydrophobicContact CB-CG 4.41Å; I259-E263 HydrophobicContact CG1-CG 4.43Å; I259-E263 HydrophobicContact CG2-CB 4.14Å; I259-E263 HydrophobicContact CG2-CG 4.19Å; I259-E263 VanDerWaalsContact O-CB 3.27Å; I259-E263 WeakPolarHBondContact O-CB 3.4Å; I259-E263 PolarHBondContact O-N 3.15Å; I259-V268 HydrophobicContact CG2-CG2 3.81Å; I259-R327 PolarHBondContact O-NH1 3.08Å; I259-F347 HydrophobicContact CD1-CB 4.19Å; I259-F347 HydrophobicContact CG2-CB 4.12Å; I259-F347 HydrophobicContact CG2-CD1 4.24Å; I259-F347 HydrophobicContact CG2-CD2 3.71Å; I259-F347 HydrophobicContact CG2-CE2 4.17Å; I259-F347 HydrophobicContact CG2-CG 3.75Å; I259-I349 HydrophobicContact CD1-CD1 3.96Å; I259-I349 HydrophobicContact CD1-CG1 4.03Å; I259-F394 HydrophobicContact CD1-CD2 3.59Å; I259-F394 HydrophobicContact CD1-CE2 3.54Å; I259-F394 HydrophobicContact CD1-CG 4.41Å; I259-F394 HydrophobicContact CD1-CZ 4.33Å; I259-F394 HydrophobicContact CG1-CD2 4.24Å; I259-F394 HydrophobicContact CG1-CE2 3.73Å; I259-F394 HydrophobicContact CG1-CZ 4.08Å
260	H	92.6	Very high	94.8	Very high	23 Å²	23	45.1 Å²	45.1	11%	0.106	22%	0.223	C	C	.	.	H	α-helix	trans	-57.7	-40.2	178.6	-173.4	55.1	0	0	0	113.9	V256 M257 K258 K299 L301	V256-H260 WeakPolarHBondContact O-CB 3.49Å; V256-H260 PolarHBondContact O-N 3.06Å; M257-H260 WeakPolarHBondContact O-CA 3.4Å; M257-H260 WeakPolarHBondContact O-CB 3.48Å; M257-H260 PolarHBondContact O-N 2.71Å; K258-H260 VanDerWaalsContact C-N 3.3Å; K258-H260 PolarHBondContact O-N 2.91Å; H260-K299 PolarHBondContact CE1-O 3.09Å; H260-K299 VanDerWaalsContact CE1-O 3.25Å; H260-K299 PolarHBondContact NE2-O 3.12Å; H260-L301 HydrophobicContact CB-CD2 4.4Å; H260-L301 WeakPolarHBondContact CE1-CD2 3.5Å; H260-L301 VanDerWaalsContact ND1-CD2 3.27Å; H260-L301 WeakPolarHBondContact ND1-CD2 3.38Å
261	E	90.6	Very high	94.8	Very high	126 Å²	126	39.3 Å²	39.3	59%	0.589	20%	0.197	S	C	*	.	H	α-helix	trans	-79.5	-42.3	-177.9	-70.4	170.7	-173.9	0	0	113.2	M257 K258 I259	M257-E261 WeakPolarHBondContact O-CG 3.43Å; M257-E261 PolarHBondContact O-N 3.47Å; K258-E261 PolarHBondContact O-N 3.13Å; I259-E261 VanDerWaalsContact C-N 3.31Å; I259-E261 PolarHBondContact O-N 2.81Å
262	M	90.8	Very high	94.8	Very high	144 Å²	144	38.8 Å²	38.8	71%	0.709	19%	0.193	S	C	*	.	H	α-helix	trans	-102.8	-29.6	-166.2	-59.2	-178	178.9	0	0	114.2	K258	K258-M262 WeakPolarHBondContact O-CB 3.46Å; K258-M262 WeakPolarHBondContact O-CG 3.43Å; K258-M262 PolarHBondContact O-N 2.76Å
263	E	93.3	Very high	94.5	Very high	47 Å²	47	39.1 Å²	39.1	22%	0.22	20%	0.195	C	C	.	.	S	Bend	trans	-94.5	153.4	-173.8	-64.4	-74.6	168.7	0	0	112.6	I259 R327 F347 K392	I259-E263 HydrophobicContact CB-CG 4.41Å; I259-E263 HydrophobicContact CG1-CG 4.43Å; I259-E263 HydrophobicContact CG2-CB 4.14Å; I259-E263 HydrophobicContact CG2-CG 4.19Å; I259-E263 VanDerWaalsContact O-CB 3.27Å; I259-E263 WeakPolarHBondContact O-CB 3.4Å; I259-E263 PolarHBondContact O-N 3.15Å; E263-R327 PolarHBondContact O-NH2 2.76Å; E263-F347 HydrophobicContact CB-CE1 3.76Å; E263-F347 HydrophobicContact CB-CE2 4.2Å; E263-F347 HydrophobicContact CB-CZ 3.53Å; E263-F347 HydrophobicContact CG-CD1 4.42Å; E263-F347 HydrophobicContact CG-CE1 3.84Å; E263-F347 HydrophobicContact CG-CZ 4.15Å; E263-K392 IonicContact OE1-NZ 3.55Å; E263-K392 PolarHBondContact OE1-NZ 3.16Å; E263-K392 IonicContact OE2-NZ 3.54Å; E263-K392 PolarHBondContact OE2-NZ 3.16Å
264	D	89	Confident	94.2	Very high	125 Å²	125	39.4 Å²	39.4	67%	0.668	20%	0.199	S	C	*	.			trans	-67.9	-176.8	177.1	-72.6	-37.9	0	0	0	113.6	G266 R327	D264-G266 PolarHBondContact O-N 3.46Å; D264-R327 PolarHBondContact O-NH2 2.77Å
265	D	88.3	Confident	93.7	Very high	77 Å²	77	39.9 Å²	39.9	41%	0.412	20%	0.201	S	C	.	.	S	Bend	trans	-51.3	130.4	179	-76.9	19.7	0	0	0	112.6	K299 M346 R389	D265-K299 WeakPolarHBondContact OD1-CE 3.44Å; D265-K299 IonicContact OD1-NZ 3.65Å; D265-K299 PolarHBondContact OD1-NZ 2.89Å; D265-K299 IonicContact OD2-NZ 2.68Å; D265-K299 PolarHBondContact OD2-NZ 3.41Å; D265-M346 WeakPolarHBondContact O-CE 3.37Å; D265-R389 PolarHBondContact O-NH2 3.08Å
266	G	91.6	Very high	93.1	Very high	9 Å²	9	46.3 Å²	46.3	9%	0.093	23%	0.23	C	C	.	.			trans	160.1	144.1	178.9	0	0	0	0	0	112.1	D264 R327	D264-G266 PolarHBondContact O-N 3.46Å; G266-R327 VanDerWaalsContact O-CD 3.29Å; G266-R327 WeakPolarHBondContact O-CD 3.24Å; G266-R327 WeakPolarHBondContact O-CG 3.3Å; G266-R327 PolarHBondContact O-NE 2.68Å
267	D	95.1	Very high	92.9	Very high	20 Å²	20	48 Å²	48	11%	0.107	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	155.1	178.5	-64.3	-29	0	0	0	110.9	K328 G344 I345 M346 F347	D267-K328 WeakPolarHBondContact CA-O 3.36Å; D267-K328 HydrophobicContact CB-CB 4.16Å; D267-K328 WeakPolarHBondContact CB-O 2.99Å; D267-K328 WeakPolarHBondContact OD1-CB 3.47Å; D267-K328 PolarHBondContact OD1-N 2.99Å; D267-K328 VanDerWaalsContact OD2-CE 3.26Å; D267-K328 WeakPolarHBondContact OD2-CE 2.77Å; D267-K328 IonicContact OD2-NZ 3.51Å; D267-G344 WeakPolarHBondContact CB-O 3.42Å; D267-G344 PolarHBondContact N-O 2.94Å; D267-I345 HydrophobicContact CB-CD1 3.81Å; D267-M346 PolarHBondContact O-N 2.77Å; D267-F347 PolarHBondContact O-N 3.14Å; D267-F347 VanDerWaalsContact O-N 3.15Å
268	V	97	Very high	92.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.9	-177.2	-172.4	0	0	0	0	110.1	V256 I259 K328 I329 V330 F347 I349	V256-V268 HydrophobicContact CG2-CG1 4.22Å; I259-V268 HydrophobicContact CG2-CG2 3.81Å; V268-K328 PolarHBondContact N-O 2.71Å; V268-I329 HydrophobicContact CB-CG1 4.31Å; V268-I329 HydrophobicContact CB-CG2 4.35Å; V268-I329 HydrophobicContact CG2-CG1 4.43Å; V268-V330 PolarHBondContact O-N 2.65Å; V268-F347 CarbonylContact C-O 3.51Å; V268-F347 WeakPolarHBondContact CA-O 3.46Å; V268-F347 HydrophobicContact CG1-CB 4.45Å; V268-F347 HydrophobicContact CG2-CB 4.19Å; V268-F347 HydrophobicContact CG2-CD2 4.25Å; V268-I349 HydrophobicContact CG1-CD1 3.9Å; V268-I349 HydrophobicContact CG1-CG1 4.26Å
269	L	97.3	Very high	92.8	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	114.1	169.1	178	61.2	0	0	0	109.7	F271 V330 A332 A336 I342 I345 F347 V348 I349 R384	L269-F271 HydrophobicContact CD2-CE2 3.83Å; L269-F271 HydrophobicContact CD2-CZ 3.68Å; L269-F271 HydrophobicContact CG-CE2 4.01Å; L269-F271 HydrophobicContact CG-CZ 4.16Å; L269-V330 CarbonylContact C-O 3.55Å; L269-V330 WeakPolarHBondContact CA-O 3.15Å; L269-V330 HydrophobicContact CD1-CB 3.93Å; L269-V330 HydrophobicContact CD1-CG1 3.93Å; L269-A332 HydrophobicContact CD1-CB 3.84Å; L269-A336 HydrophobicContact CD1-CB 4.09Å; L269-A336 HydrophobicContact CD2-CB 4.18Å; L269-I342 HydrophobicContact CD1-CD1 4.3Å; L269-I345 HydrophobicContact CB-CD1 3.93Å; L269-I345 HydrophobicContact CB-CG1 4.2Å; L269-I345 HydrophobicContact CB-CG2 3.7Å; L269-F347 PolarHBondContact N-O 3.04Å; L269-V348 HydrophobicContact CB-CG2 4.45Å; L269-V348 CarbonylContact O-C 3.57Å; L269-V348 VanDerWaalsContact O-CA 3.29Å; L269-V348 WeakPolarHBondContact O-CA 3.43Å; L269-I349 PolarHBondContact O-N 2.87Å; L269-R384 HydrophobicContact CD2-CB 3.98Å; L269-R384 HydrophobicContact CD2-CG 4.17Å
270	A	97.9	Very high	92.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.8	176.8	0	0	0	0	0	111	T252 V330 A332 I349	T252-A270 HydrophobicContact CG2-CB 3.71Å; A270-V330 PolarHBondContact N-O 2.9Å; A270-A332 PolarHBondContact O-N 2.79Å; A270-I349 HydrophobicContact CB-CB 4.13Å; A270-I349 HydrophobicContact CB-CD1 4.44Å
271	F	97.8	Very high	92.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.1	176	-71.7	-81.1	0	0	0	111.5	L269 A332 A336 E337 V348 I349 C351 R381 R384	L269-F271 HydrophobicContact CD2-CE2 3.83Å; L269-F271 HydrophobicContact CD2-CZ 3.68Å; L269-F271 HydrophobicContact CG-CE2 4.01Å; L269-F271 HydrophobicContact CG-CZ 4.16Å; F271-A332 CarbonylContact C-O 3.55Å; F271-A332 WeakPolarHBondContact CA-O 3.35Å; F271-A336 HydrophobicContact CE1-CB 3.94Å; F271-A336 HydrophobicContact CZ-CB 4.29Å; F271-E337 HydrophobicContact CE1-CB 4.25Å; F271-V348 HydrophobicContact CD2-CG1 4Å; F271-V348 HydrophobicContact CE2-CG1 3.91Å; F271-I349 PolarHBondContact N-O 2.96Å; F271-C351 PolarHBondContact O-SG 2.78Å; F271-R381 HydrophobicContact CD1-CG 4.28Å; F271-R381 HydrophobicContact CD2-CB 3.95Å; F271-R381 HydrophobicContact CD2-CG 3.8Å; F271-R381 HydrophobicContact CE1-CG 4.14Å; F271-R381 HydrophobicContact CE2-CB 3.66Å; F271-R381 HydrophobicContact CE2-CG 3.65Å; F271-R381 HydrophobicContact CG-CG 4.11Å; F271-R381 HydrophobicContact CZ-CB 4.21Å; F271-R381 HydrophobicContact CZ-CG 3.83Å; F271-R384 HydrophobicContact CZ-CG 4.27Å
272	L	96.5	Very high	93.1	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.217	C	C	.	.			trans	-133.6	173.5	174.1	-65.5	175.4	0	0	0	110.9	Y248 E277 V278 V281 V331 A332 T333 C351	Y248-L272 HydrophobicContact CD2-CD2 3.88Å; Y248-L272 HydrophobicContact CE2-CD2 4.06Å; L272-E277 HydrophobicContact CB-CB 4.3Å; L272-E277 HydrophobicContact CD1-CB 4.25Å; L272-V278 HydrophobicContact CB-CG2 4.08Å; L272-V278 HydrophobicContact CD1-CG2 4.43Å; L272-V281 HydrophobicContact CD1-CB 3.9Å; L272-V281 HydrophobicContact CD1-CG1 4.45Å; L272-V281 HydrophobicContact CD1-CG2 3.45Å; L272-V281 VanDerWaalsContact CD1-CG2 3.45Å; L272-V331 HydrophobicContact CD1-CG1 3.54Å; L272-V331 HydrophobicContact CG-CG1 4.29Å; L272-A332 PolarHBondContact N-O 3Å; L272-T333 WeakPolarHBondContact O-CA 3.49Å; L272-C351 HydrophobicContact CD2-CB 4.4Å
273	T	92.9	Very high	93.3	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.043	20%	0.201	C	C	.	.	S	Bend	trans	-89.3	-27.6	-166.4	81.1	0	0	0	0	114	E277 F353 K355 V370	T273-E277 WeakPolarHBondContact CB-OE2 3.42Å; T273-E277 WeakPolarHBondContact CG2-OE2 3.47Å; T273-E277 PolarHBondContact N-OE2 3.4Å; T273-E277 PolarHBondContact OG1-OE1 3.29Å; T273-E277 PolarHBondContact OG1-OE2 3.05Å; T273-F353 HydrophobicContact CG2-CB 3.46Å; T273-F353 VanDerWaalsContact CG2-CB 3.46Å; T273-K355 WeakPolarHBondContact O-CB 3.47Å; T273-V370 HydrophobicContact CG2-CG1 3.9Å
274	G	89.6	Confident	93.4	Very high	10 Å²	10	39.9 Å²	39.9	10%	0.103	21%	0.205	C	C	.	.	S	Bend	trans	-165	175.2	-174.5	0	0	0	0	0	115	E276 E277 V278	G274-E276 PolarHBondContact O-N 3.23Å; G274-E277 PolarHBondContact O-N 3.5Å; G274-V278 VanDerWaalsContact O-CG2 3.3Å; G274-V278 WeakPolarHBondContact O-CG2 3.38Å; G274-V278 PolarHBondContact O-N 3.29Å
275	Q	86.8	Confident	93.7	Very high	90 Å²	90	34 Å²	34	42%	0.421	17%	0.174	S	C	.	.	H	α-helix	trans	-54.4	-47.7	-175.1	174.5	174.7	-6.2	0	0	113.2	E277 V278 E279 Y307	Q275-E277 PolarHBondContact O-N 2.92Å; Q275-V278 PolarHBondContact O-N 3.01Å; Q275-E279 HydrophobicContact CG-CG 4.19Å; Q275-E279 WeakPolarHBondContact O-CB 3.28Å; Q275-E279 WeakPolarHBondContact O-CG 3.43Å; Q275-E279 PolarHBondContact O-N 3.06Å; Q275-Y307 HydrophobicContact CB-CD1 4.46Å; Q275-Y307 HydrophobicContact CB-CD2 3.99Å; Q275-Y307 HydrophobicContact CB-CE2 4.13Å; Q275-Y307 HydrophobicContact CB-CG 4.19Å; Q275-Y307 HydrophobicContact CG-CD1 4.38Å; Q275-Y307 HydrophobicContact CG-CD2 3.98Å; Q275-Y307 HydrophobicContact CG-CE1 3.99Å; Q275-Y307 HydrophobicContact CG-CE2 3.58Å; Q275-Y307 HydrophobicContact CG-CG 4.38Å; Q275-Y307 PolarHBondContact NE2-OH 3.45Å
276	E	86.1	Confident	93.9	Very high	159 Å²	159	33.8 Å²	33.8	74%	0.743	17%	0.17	S	C	*	.	H	α-helix	trans	-59.7	-44.3	-177.3	-66.1	177.3	179.2	0	0	112.5	G274 K280	G274-E276 PolarHBondContact O-N 3.23Å; E276-K280 VanDerWaalsContact O-CB 3.27Å; E276-K280 WeakPolarHBondContact O-CB 3.44Å; E276-K280 PolarHBondContact O-N 3.41Å
277	E	93.1	Very high	93.9	Very high	36 Å²	36	38.5 Å²	38.5	17%	0.168	19%	0.19	C	C	.	.	H	α-helix	trans	-67.3	-43	177.1	-68.9	167.2	-158.7	0	0	111.6	Y248 V249 L272 T273 G274 Q275 K280 V281	Y248-E277 PolarHBondContact OH-OE1 3.1Å; Y248-E277 VanDerWaalsContact OH-OE1 3.11Å; Y248-E277 PolarHBondContact OH-OE2 2.95Å; V249-E277 HydrophobicContact CG2-CB 4.21Å; V249-E277 HydrophobicContact CG2-CG 4.02Å; L272-E277 HydrophobicContact CB-CB 4.3Å; L272-E277 HydrophobicContact CD1-CB 4.25Å; T273-E277 WeakPolarHBondContact CB-OE2 3.42Å; T273-E277 WeakPolarHBondContact CG2-OE2 3.47Å; T273-E277 PolarHBondContact N-OE2 3.4Å; T273-E277 PolarHBondContact OG1-OE1 3.29Å; T273-E277 PolarHBondContact OG1-OE2 3.05Å; G274-E277 PolarHBondContact O-N 3.5Å; Q275-E277 PolarHBondContact O-N 2.92Å; E277-K280 PolarHBondContact O-N 3.02Å; E277-V281 WeakPolarHBondContact O-CG2 3.31Å; E277-V281 PolarHBondContact O-N 3.06Å
278	V	94.7	Very high	93.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.8	-52.3	177.3	169.3	0	0	0	0	110.5	L272 G274 Q275 K280 V281 V282 P305 Y307 V331 T333	L272-V278 HydrophobicContact CB-CG2 4.08Å; L272-V278 HydrophobicContact CD1-CG2 4.43Å; G274-V278 VanDerWaalsContact O-CG2 3.3Å; G274-V278 WeakPolarHBondContact O-CG2 3.38Å; G274-V278 PolarHBondContact O-N 3.29Å; Q275-V278 PolarHBondContact O-N 3.01Å; V278-K280 VanDerWaalsContact C-N 3.31Å; V278-K280 PolarHBondContact O-N 3.45Å; V278-V281 PolarHBondContact O-N 2.98Å; V278-V282 HydrophobicContact CG1-CG2 4.44Å; V278-V282 WeakPolarHBondContact O-CB 3.42Å; V278-V282 VanDerWaalsContact O-CG2 3.26Å; V278-V282 WeakPolarHBondContact O-CG2 3.5Å; V278-V282 PolarHBondContact O-N 3.32Å; V278-P305 HydrophobicContact CG1-CB 3.68Å; V278-Y307 HydrophobicContact CB-CD1 4.33Å; V278-Y307 HydrophobicContact CG1-CD1 3.93Å; V278-Y307 HydrophobicContact CG1-CE1 4.31Å; V278-V331 HydrophobicContact CB-CG1 4.28Å; V278-V331 HydrophobicContact CG1-CB 4.17Å; V278-V331 HydrophobicContact CG1-CG1 4.01Å; V278-V331 WeakPolarHBondContact CG1-O 3.34Å; V278-V331 HydrophobicContact CG2-CG1 4.2Å; V278-T333 HydrophobicContact CG2-CG2 4.18Å
279	E	92.1	Very high	93.2	Very high	70 Å²	70	41.5 Å²	41.5	33%	0.327	21%	0.205	S	C	.	.	H	α-helix	trans	-63.3	-37.7	179.6	-67.2	-67.6	173.6	0	0	111.7	Q275 V282 S283 Y307	Q275-E279 HydrophobicContact CG-CG 4.19Å; Q275-E279 WeakPolarHBondContact O-CB 3.28Å; Q275-E279 WeakPolarHBondContact O-CG 3.43Å; Q275-E279 PolarHBondContact O-N 3.06Å; E279-V282 PolarHBondContact O-N 3.5Å; E279-S283 WeakPolarHBondContact O-CB 3.3Å; E279-S283 PolarHBondContact O-N 3.4Å; E279-Y307 HydrophobicContact CG-CE1 4.24Å; E279-Y307 WeakPolarHBondContact OE1-CE1 3.1Å; E279-Y307 VanDerWaalsContact OE1-CZ 3.29Å; E279-Y307 PolarHBondContact OE1-OH 3.27Å
280	K	93.1	Very high	92.7	Very high	114 Å²	114	49.4 Å²	49.4	50%	0.496	24%	0.235	S	C	.	.	H	α-helix	trans	-62	-48.3	175.4	-176	175.3	174.4	-169.6	0	111.7	V249 E276 E277 V278 S283 L284	V249-K280 HydrophobicContact CG1-CD 4.03Å; V249-K280 HydrophobicContact CG1-CG 4.24Å; E276-K280 VanDerWaalsContact O-CB 3.27Å; E276-K280 WeakPolarHBondContact O-CB 3.44Å; E276-K280 PolarHBondContact O-N 3.41Å; E277-K280 PolarHBondContact O-N 3.02Å; V278-K280 VanDerWaalsContact C-N 3.31Å; V278-K280 PolarHBondContact O-N 3.45Å; K280-S283 PolarHBondContact O-N 3.31Å; K280-L284 HydrophobicContact CG-CD1 4.17Å; K280-L284 VanDerWaalsContact O-CG 3.29Å; K280-L284 WeakPolarHBondContact O-CG 3.43Å; K280-L284 PolarHBondContact O-N 2.89Å
281	V	97.1	Very high	92.1	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-41.6	176.5	169.6	0	0	0	0	111.3	V249 T252 V253 L272 E277 V278 S283 L284 L285 V331	V249-V281 HydrophobicContact CB-CG2 4.38Å; V249-V281 HydrophobicContact CG1-CG2 3.61Å; T252-V281 HydrophobicContact CG2-CG1 4.12Å; V253-V281 HydrophobicContact CG2-CB 4.33Å; V253-V281 HydrophobicContact CG2-CG1 3.93Å; V253-V281 HydrophobicContact CG2-CG2 4.18Å; L272-V281 HydrophobicContact CD1-CB 3.9Å; L272-V281 HydrophobicContact CD1-CG1 4.45Å; L272-V281 HydrophobicContact CD1-CG2 3.45Å; L272-V281 VanDerWaalsContact CD1-CG2 3.45Å; E277-V281 WeakPolarHBondContact O-CG2 3.31Å; E277-V281 PolarHBondContact O-N 3.06Å; V278-V281 PolarHBondContact O-N 2.98Å; V281-S283 PolarHBondContact O-N 3.28Å; V281-L284 PolarHBondContact O-N 3.17Å; V281-L285 HydrophobicContact CG1-CD1 3.68Å; V281-L285 HydrophobicContact CG1-CG 4.19Å; V281-L285 WeakPolarHBondContact O-CB 2.99Å; V281-L285 VanDerWaalsContact O-CG 3.29Å; V281-L285 WeakPolarHBondContact O-CG 3.23Å; V281-L285 PolarHBondContact O-N 3.36Å; V281-V331 HydrophobicContact CB-CG1 4.15Å; V281-V331 HydrophobicContact CG1-CG1 4Å; V281-V331 HydrophobicContact CG1-CG2 3.95Å
282	V	95.7	Very high	91.4	Very high	6 Å²	6	53.3 Å²	53.3	4%	0.036	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-46.9	176.6	167.9	0	0	0	0	111.1	V278 E279 L285 Q286 I303 P305 V331	V278-V282 HydrophobicContact CG1-CG2 4.44Å; V278-V282 WeakPolarHBondContact O-CB 3.42Å; V278-V282 VanDerWaalsContact O-CG2 3.26Å; V278-V282 WeakPolarHBondContact O-CG2 3.5Å; V278-V282 PolarHBondContact O-N 3.32Å; E279-V282 PolarHBondContact O-N 3.5Å; V282-L285 PolarHBondContact O-N 3.37Å; V282-Q286 HydrophobicContact CG1-CG 4.47Å; V282-Q286 WeakPolarHBondContact O-CB 3.5Å; V282-Q286 VanDerWaalsContact O-CG 3.25Å; V282-Q286 WeakPolarHBondContact O-CG 3.44Å; V282-Q286 PolarHBondContact O-N 3.17Å; V282-I303 HydrophobicContact CB-CG2 4.15Å; V282-I303 HydrophobicContact CG1-CG2 3.92Å; V282-I303 HydrophobicContact CG2-CG2 3.91Å; V282-P305 HydrophobicContact CG2-CB 4.13Å; V282-V331 HydrophobicContact CG2-CB 4.04Å; V282-V331 HydrophobicContact CG2-CG2 3.98Å
283	S	94	Very high	90.5	Very high	53 Å²	53	56.2 Å²	56.2	37%	0.371	28%	0.28	S	S	.	.	H	α-helix	trans	-59.4	-49.2	177	-169.3	0	0	0	0	111.9	E279 K280 V281 L285 Q286 E287	E279-S283 WeakPolarHBondContact O-CB 3.3Å; E279-S283 PolarHBondContact O-N 3.4Å; K280-S283 PolarHBondContact O-N 3.31Å; V281-S283 PolarHBondContact O-N 3.28Å; S283-L285 PolarHBondContact O-N 3.43Å; S283-Q286 PolarHBondContact O-N 3.25Å; S283-E287 WeakPolarHBondContact O-CG 3.19Å; S283-E287 PolarHBondContact O-N 2.86Å
284	L	95.3	Very high	89.7	Confident	58 Å²	58	65.2 Å²	65.2	30%	0.304	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-41.4	-179.3	-69.6	171.7	0	0	0	112.1	V253 K280 V281 E287 Q288	V253-L284 HydrophobicContact CG1-CB 4.34Å; V253-L284 HydrophobicContact CG2-CB 3.87Å; V253-L284 HydrophobicContact CG2-CD1 4.07Å; K280-L284 HydrophobicContact CG-CD1 4.17Å; K280-L284 VanDerWaalsContact O-CG 3.29Å; K280-L284 WeakPolarHBondContact O-CG 3.43Å; K280-L284 PolarHBondContact O-N 2.89Å; V281-L284 PolarHBondContact O-N 3.17Å; L284-E287 PolarHBondContact O-N 2.93Å; L284-Q288 WeakPolarHBondContact O-CG 3.42Å; L284-Q288 PolarHBondContact O-N 3.11Å
285	L	95.4	Very high	88.7	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-66.3	-37.6	175.6	-73	172	0	0	0	112.1	V253 V256 M257 V281 V282 S283 E287 Q288 A289 I303 I329 V331	V253-L285 HydrophobicContact CB-CD2 4.41Å; V253-L285 HydrophobicContact CG1-CD2 3.93Å; V253-L285 HydrophobicContact CG1-CG 4.41Å; V253-L285 HydrophobicContact CG2-CG 4.36Å; V256-L285 HydrophobicContact CB-CD2 3.83Å; V256-L285 HydrophobicContact CG1-CD1 4.18Å; V256-L285 HydrophobicContact CG1-CD2 3.59Å; V256-L285 HydrophobicContact CG2-CD1 4.37Å; V256-L285 HydrophobicContact CG2-CD2 4.47Å; M257-L285 HydrophobicContact CG-CD2 4.47Å; M257-L285 HydrophobicContact SD-CD2 3.81Å; V281-L285 HydrophobicContact CG1-CD1 3.68Å; V281-L285 HydrophobicContact CG1-CG 4.19Å; V281-L285 WeakPolarHBondContact O-CB 2.99Å; V281-L285 VanDerWaalsContact O-CG 3.29Å; V281-L285 WeakPolarHBondContact O-CG 3.23Å; V281-L285 PolarHBondContact O-N 3.36Å; V282-L285 PolarHBondContact O-N 3.37Å; S283-L285 PolarHBondContact O-N 3.43Å; L285-E287 VanDerWaalsContact C-N 3.35Å; L285-Q288 PolarHBondContact O-N 2.87Å; L285-A289 VanDerWaalsContact O-CB 3.25Å; L285-A289 WeakPolarHBondContact O-CB 3.28Å; L285-A289 PolarHBondContact O-N 3.25Å; L285-I303 VanDerWaalsContact C-CD1 3.44Å; L285-I303 HydrophobicContact CB-CD1 3.58Å; L285-I303 HydrophobicContact CB-CG1 4.08Å; L285-I303 HydrophobicContact CB-CG2 4.25Å; L285-I303 HydrophobicContact CD1-CG2 4.19Å; L285-I329 HydrophobicContact CD1-CG2 4.04Å; L285-V331 HydrophobicContact CD1-CG2 4.17Å
286	Q	93.2	Very high	87.8	Confident	74 Å²	74	73 Å²	73	35%	0.346	36%	0.358	S	S	.	.	H	α-helix	trans	-65.5	-39.8	176.7	-75.6	175.4	-0.4	0	0	111.5	V282 S283 A289 R290 I303	V282-Q286 HydrophobicContact CG1-CG 4.47Å; V282-Q286 WeakPolarHBondContact O-CB 3.5Å; V282-Q286 VanDerWaalsContact O-CG 3.25Å; V282-Q286 WeakPolarHBondContact O-CG 3.44Å; V282-Q286 PolarHBondContact O-N 3.17Å; S283-Q286 PolarHBondContact O-N 3.25Å; Q286-A289 PolarHBondContact O-N 2.8Å; Q286-R290 VanDerWaalsContact O-CG 3.28Å; Q286-R290 WeakPolarHBondContact O-CG 3.4Å; Q286-R290 PolarHBondContact O-N 3.43Å; Q286-I303 HydrophobicContact CB-CD1 4.39Å; Q286-I303 HydrophobicContact CG-CB 4.49Å; Q286-I303 HydrophobicContact CG-CD1 3.8Å
287	E	91.2	Very high	87	Confident	107 Å²	107	67.3 Å²	67.3	50%	0.5	33%	0.332	S	S	.	.	H	α-helix	trans	-61.7	-46.8	174.2	-72.5	169.7	-161.4	0	0	111.5	S283 L284 L285 R290 A291	S283-E287 WeakPolarHBondContact O-CG 3.19Å; S283-E287 PolarHBondContact O-N 2.86Å; L284-E287 PolarHBondContact O-N 2.93Å; L285-E287 VanDerWaalsContact C-N 3.35Å; E287-R290 PolarHBondContact O-N 3.37Å; E287-A291 PolarHBondContact O-N 2.89Å
288	Q	89.8	Confident	85.9	Confident	73 Å²	73	75.1 Å²	75.1	34%	0.341	37%	0.365	S	S	.	.	H	α-helix	trans	-66.1	-40.1	177.5	-71.8	-174.5	-16.1	0	0	112.7	M257 L284 L285 R290 A291 L292	M257-Q288 HydrophobicContact CE-CB 4.25Å; M257-Q288 HydrophobicContact SD-CB 4.25Å; M257-Q288 PolarHBondContact SD-OE1 3.26Å; L284-Q288 WeakPolarHBondContact O-CG 3.42Å; L284-Q288 PolarHBondContact O-N 3.11Å; L285-Q288 PolarHBondContact O-N 2.87Å; Q288-R290 VanDerWaalsContact C-N 3.32Å; Q288-R290 PolarHBondContact O-N 2.68Å; Q288-A291 WeakPolarHBondContact O-CB 3.38Å; Q288-A291 PolarHBondContact O-N 3.25Å; Q288-L292 PolarHBondContact O-N 3.27Å
289	A	87.9	Confident	85.2	Confident	11 Å²	11	76.6 Å²	76.6	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-61.7	-38.8	175.4	0	0	0	0	0	112.2	L285 Q286 S293 L301 I303	L285-A289 VanDerWaalsContact O-CB 3.25Å; L285-A289 WeakPolarHBondContact O-CB 3.28Å; L285-A289 PolarHBondContact O-N 3.25Å; Q286-A289 PolarHBondContact O-N 2.8Å; A289-S293 WeakPolarHBondContact O-CB 3.44Å; A289-S293 PolarHBondContact O-N 3.17Å; A289-S293 PolarHBondContact O-OG 3.14Å; A289-L301 HydrophobicContact CB-CB 4.09Å; A289-L301 HydrophobicContact CB-CD1 4.01Å; A289-I303 HydrophobicContact CB-CD1 4.25Å
290	R	87.2	Confident	85	Confident	169 Å²	169	78.4 Å²	78.4	64%	0.638	38%	0.38	S	S	*	.	H	α-helix	trans	-66.7	-40.1	174	-72.6	172.8	-169.5	170	6.5	111.9	Q286 E287 Q288 S293	Q286-R290 VanDerWaalsContact O-CG 3.28Å; Q286-R290 WeakPolarHBondContact O-CG 3.4Å; Q286-R290 PolarHBondContact O-N 3.43Å; E287-R290 PolarHBondContact O-N 3.37Å; Q288-R290 VanDerWaalsContact C-N 3.32Å; Q288-R290 PolarHBondContact O-N 2.68Å; R290-S293 PolarHBondContact O-N 3.45Å
291	A	85.4	Confident	84.9	Confident	33 Å²	33	74.1 Å²	74.1	27%	0.273	36%	0.362	S	S	.	.	H	α-helix	trans	-61.7	-48.5	176.7	0	0	0	0	0	111.2	E287 Q288 S293 R294 Y295	E287-A291 PolarHBondContact O-N 2.89Å; Q288-A291 WeakPolarHBondContact O-CB 3.38Å; Q288-A291 PolarHBondContact O-N 3.25Å; A291-S293 PolarHBondContact O-N 2.83Å; A291-R294 WeakPolarHBondContact O-CB 3.43Å; A291-R294 PolarHBondContact O-N 3.07Å; A291-Y295 VanDerWaalsContact O-CD2 3.29Å; A291-Y295 WeakPolarHBondContact O-CD2 3.36Å
292	L	82.3	Confident	84.8	Confident	49 Å²	49	77.5 Å²	77.5	26%	0.257	38%	0.375	S	S	.	.	H	α-helix	trans	-68.2	-32.2	179.7	-72.7	172.3	0	0	0	113.6	M257 Q288 R294 Y295 G296 M297	M257-L292 HydrophobicContact CE-CD1 3.1Å; M257-L292 HydrophobicContact CE-CG 4.39Å; Q288-L292 PolarHBondContact O-N 3.27Å; L292-R294 PolarHBondContact O-N 3.23Å; L292-R294 VanDerWaalsContact O-N 3.08Å; L292-Y295 PolarHBondContact O-N 3.43Å; L292-G296 PolarHBondContact O-N 3.29Å; L292-M297 HydrophobicContact CB-CG 3.6Å; L292-M297 HydrophobicContact CB-SD 3.35Å; L292-M297 WeakPolarHBondContact CB-SD 3.19Å; L292-M297 HydrophobicContact CD1-SD 4Å; L292-M297 HydrophobicContact CG-SD 4.35Å; L292-M297 WeakPolarHBondContact O-CG 3.26Å
293	S	78.4	Confident	84.8	Confident	61 Å²	61	78.1 Å²	78.1	43%	0.427	38%	0.378	S	S	.	.	H	α-helix	trans	-56.5	-26.4	175.6	-63.9	0	0	0	0	112.7	A289 R290 A291 M297	A289-S293 WeakPolarHBondContact O-CB 3.44Å; A289-S293 PolarHBondContact O-N 3.17Å; A289-S293 PolarHBondContact O-OG 3.14Å; R290-S293 PolarHBondContact O-N 3.45Å; A291-S293 PolarHBondContact O-N 2.83Å; S293-M297 WeakPolarHBondContact OG-CE 3.26Å
294	R	74.8	Confident	84.8	Confident	196 Å²	196	76.5 Å²	76.5	74%	0.74	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-20.9	177.4	-64.5	-174.4	-74.5	-175	-3.7	113.9	A291 L292	A291-R294 WeakPolarHBondContact O-CB 3.43Å; A291-R294 PolarHBondContact O-N 3.07Å; L292-R294 PolarHBondContact O-N 3.23Å; L292-R294 VanDerWaalsContact O-N 3.08Å
295	Y	69.8	Low	84.8	Confident	198 Å²	198	74.9 Å²	74.9	78%	0.776	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	1.2	-176.4	-64.2	-81	0	0	0	113.5	A291 L292	A291-Y295 VanDerWaalsContact O-CD2 3.29Å; A291-Y295 WeakPolarHBondContact O-CD2 3.36Å; L292-Y295 PolarHBondContact O-N 3.43Å
296	G	66.8	Low	84.5	Confident	66 Å²	66	74.9 Å²	74.9	68%	0.68	36%	0.358	S	S	*	.			trans	85.9	101	-178.6	0	0	0	0	0	112	L292	L292-G296 PolarHBondContact O-N 3.29Å
297	M	70	Confident	84.2	Confident	39 Å²	39	72.2 Å²	72.2	19%	0.192	35%	0.345	C	S	.	.			trans	-92.7	139.9	177.2	-68.2	-157.1	-67.6	0	0	112	L292 S293 K299	L292-M297 HydrophobicContact CB-CG 3.6Å; L292-M297 HydrophobicContact CB-SD 3.35Å; L292-M297 WeakPolarHBondContact CB-SD 3.19Å; L292-M297 HydrophobicContact CD1-SD 4Å; L292-M297 HydrophobicContact CG-SD 4.35Å; L292-M297 WeakPolarHBondContact O-CG 3.26Å; S293-M297 WeakPolarHBondContact OG-CE 3.26Å; M297-K299 VanDerWaalsContact C-N 3.25Å; M297-K299 WeakPolarHBondContact CB-O 3.36Å; M297-K299 PolarHBondContact O-N 3.26Å
298	K	70.1	Confident	83.5	Confident	201 Å²	201	71.1 Å²	71.1	87%	0.874	35%	0.349	S	S	*	.	S	Bend	trans	-62.4	-33.1	172	-167.5	178.3	179.9	-175.6	0	111.9
299	K	78.9	Confident	82.7	Confident	30 Å²	30	69.3 Å²	69.3	13%	0.13	35%	0.349	C	S	.	.	S	Bend	trans	-143.8	147	174.8	-68.1	-169.9	178.6	-149.9	0	111.2	H260 D265 M297 S324 T325	H260-K299 PolarHBondContact CE1-O 3.09Å; H260-K299 VanDerWaalsContact CE1-O 3.25Å; H260-K299 PolarHBondContact NE2-O 3.12Å; D265-K299 WeakPolarHBondContact OD1-CE 3.44Å; D265-K299 IonicContact OD1-NZ 3.65Å; D265-K299 PolarHBondContact OD1-NZ 2.89Å; D265-K299 IonicContact OD2-NZ 2.68Å; D265-K299 PolarHBondContact OD2-NZ 3.41Å; M297-K299 VanDerWaalsContact C-N 3.25Å; M297-K299 WeakPolarHBondContact CB-O 3.36Å; M297-K299 PolarHBondContact O-N 3.26Å; K299-S324 VanDerWaalsContact CE-O 3.29Å; K299-S324 WeakPolarHBondContact CE-O 3.48Å; K299-S324 PolarHBondContact NZ-O 3.34Å; K299-T325 CarbonylContact C-O 3.56Å; K299-T325 WeakPolarHBondContact CA-O 3.4Å; K299-T325 WeakPolarHBondContact CB-O 3.4Å
300	H	88.4	Confident	82	Confident	109 Å²	109	69.5 Å²	69.5	51%	0.505	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	152.5	171.2	-66.9	-69.3	0	0	0	111.4	T325 V326 R327	H300-T325 PolarHBondContact N-O 2.84Å; H300-V326 HydrophobicContact CB-CG2 4.27Å; H300-V326 CarbonylContact O-C 3.6Å; H300-V326 VanDerWaalsContact O-CA 3.27Å; H300-V326 WeakPolarHBondContact O-CA 3.28Å; H300-R327 PolarHBondContact O-N 2.62Å
301	L	91.7	Very high	81.2	Confident	24 Å²	24	65 Å²	65	13%	0.126	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.6	176.4	-68.6	-178.3	0	0	0	110.6	M257 H260 A289 I303 R327 I329	M257-L301 HydrophobicContact CE-CD1 4.1Å; M257-L301 HydrophobicContact SD-CD1 4.17Å; H260-L301 HydrophobicContact CB-CD2 4.4Å; H260-L301 WeakPolarHBondContact CE1-CD2 3.5Å; H260-L301 VanDerWaalsContact ND1-CD2 3.27Å; H260-L301 WeakPolarHBondContact ND1-CD2 3.38Å; A289-L301 HydrophobicContact CB-CB 4.09Å; A289-L301 HydrophobicContact CB-CD1 4.01Å; L301-I303 HydrophobicContact CB-CD1 4.36Å; L301-I303 HydrophobicContact CB-CG1 4.36Å; L301-R327 HydrophobicContact CD2-CB 4.06Å; L301-I329 HydrophobicContact CB-CD1 4.2Å; L301-I329 HydrophobicContact CD1-CD1 3.96Å; L301-I329 HydrophobicContact CD2-CD1 3.52Å; L301-I329 HydrophobicContact CD2-CG1 4.3Å; L301-I329 HydrophobicContact CG-CD1 4.1Å
302	R	94	Very high	80.4	Confident	71 Å²	71	67.1 Å²	67.1	27%	0.268	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	104.3	168.8	-176.6	176.2	-176.5	-174.7	-1	108.9	L304 E320 V326 R327 K328 I329	R302-L304 HydrophobicContact CG-CD1 4.41Å; R302-L304 HydrophobicContact CG-CD2 4.4Å; R302-L304 HydrophobicContact CG-CG 4.27Å; R302-E320 IonicContact CZ-OE2 3.95Å; R302-E320 VanDerWaalsContact CZ-OE2 3.27Å; R302-E320 IonicContact NH1-OE2 3Å; R302-E320 PolarHBondContact NH1-OE2 3.01Å; R302-E320 IonicContact NH2-OE2 3.27Å; R302-E320 PolarHBondContact NH2-OE2 3.4Å; R302-V326 HydrophobicContact CB-CG1 3.58Å; R302-R327 PolarHBondContact N-O 3.25Å; R302-K328 CarbonylContact O-C 3.49Å; R302-K328 WeakPolarHBondContact O-CA 3.3Å; R302-I329 PolarHBondContact O-N 3.33Å
303	I	95.9	Very high	79.9	Confident	18 Å²	18	67.8 Å²	67.8	9%	0.092	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126	-173.9	-57.2	145.8	0	0	0	109.3	V282 L285 Q286 A289 L301 I329	V282-I303 HydrophobicContact CB-CG2 4.15Å; V282-I303 HydrophobicContact CG1-CG2 3.92Å; V282-I303 HydrophobicContact CG2-CG2 3.91Å; L285-I303 VanDerWaalsContact C-CD1 3.44Å; L285-I303 HydrophobicContact CB-CD1 3.58Å; L285-I303 HydrophobicContact CB-CG1 4.08Å; L285-I303 HydrophobicContact CB-CG2 4.25Å; L285-I303 HydrophobicContact CD1-CG2 4.19Å; Q286-I303 HydrophobicContact CB-CD1 4.39Å; Q286-I303 HydrophobicContact CG-CB 4.49Å; Q286-I303 HydrophobicContact CG-CD1 3.8Å; A289-I303 HydrophobicContact CB-CD1 4.25Å; L301-I303 HydrophobicContact CB-CD1 4.36Å; L301-I303 HydrophobicContact CB-CG1 4.36Å; I303-I329 CarbonylContact C-O 3.53Å; I303-I329 WeakPolarHBondContact CA-O 3.29Å; I303-I329 HydrophobicContact CG1-CB 4.33Å; I303-I329 HydrophobicContact CG1-CD1 3.9Å
304	L	95.1	Very high	79.8	Confident	19 Å²	19	67.6 Å²	67.6	10%	0.099	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	127.9	-173.7	-60.9	172.7	0	0	0	111.5	R302 K317 V318 K328 I329 V330 V331	R302-L304 HydrophobicContact CG-CD1 4.41Å; R302-L304 HydrophobicContact CG-CD2 4.4Å; R302-L304 HydrophobicContact CG-CG 4.27Å; L304-K317 HydrophobicContact CD1-CB 4.37Å; L304-K317 WeakPolarHBondContact CD1-O 3.28Å; L304-K317 HydrophobicContact CD2-CB 4.26Å; L304-V318 HydrophobicContact CB-CG1 4.16Å; L304-V318 HydrophobicContact CD1-CG1 4.44Å; L304-K328 HydrophobicContact CD1-CD 3.96Å; L304-K328 HydrophobicContact CD1-CG 4.09Å; L304-I329 PolarHBondContact N-O 3.1Å; L304-V330 WeakPolarHBondContact O-CA 3.5Å; L304-V331 PolarHBondContact O-N 2.95Å
305	P	94.2	Very high	80	Confident	24 Å²	24	58.8 Å²	58.8	16%	0.156	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	154.3	172.8	30.9	-32.9	0	0	0	112.1	V278 V282 Y307 L310 V331	V278-P305 HydrophobicContact CG1-CB 3.68Å; V282-P305 HydrophobicContact CG2-CB 4.13Å; P305-Y307 HydrophobicContact CB-CD1 4.31Å; P305-Y307 HydrophobicContact CB-CE1 3.94Å; P305-L310 HydrophobicContact CG-CD1 4.25Å; P305-L310 HydrophobicContact CG-CD2 4.3Å; P305-L310 VanDerWaalsContact O-CD2 3.23Å; P305-L310 WeakPolarHBondContact O-CD2 3.3Å; P305-V331 CarbonylContact C-O 3.55Å; P305-V331 WeakPolarHBondContact CA-O 3.32Å
306	M	89.7	Confident	80.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	107.3	171.9	-162.2	-179.3	-172.4	0	0	113.4	V318 V330 V331 A332 T333 I335 A336 I340 I342	M306-V318 HydrophobicContact CB-CG1 4.38Å; M306-V318 HydrophobicContact CE-CG2 4.13Å; M306-V318 HydrophobicContact CG-CG1 4.46Å; M306-V318 HydrophobicContact SD-CG1 4.41Å; M306-V318 HydrophobicContact SD-CG2 3.99Å; M306-V330 HydrophobicContact CB-CG1 4.12Å; M306-V331 PolarHBondContact N-O 3.31Å; M306-A332 HydrophobicContact CB-CB 3.89Å; M306-A332 VanDerWaalsContact O-CA 3.28Å; M306-A332 WeakPolarHBondContact O-CA 3.44Å; M306-T333 PolarHBondContact O-N 2.96Å; M306-T333 PolarHBondContact O-OG1 3.21Å; M306-I335 HydrophobicContact CB-CG2 4.43Å; M306-I335 HydrophobicContact CE-CD1 4.48Å; M306-I335 HydrophobicContact CE-CG2 4.34Å; M306-I335 HydrophobicContact CG-CG2 3.77Å; M306-I335 HydrophobicContact SD-CG2 4.11Å; M306-A336 HydrophobicContact SD-CB 4.45Å; M306-I340 HydrophobicContact CE-CD1 3.38Å; M306-I340 HydrophobicContact CE-CG2 4.2Å; M306-I342 HydrophobicContact SD-CD1 4Å
307	Y	86.4	Confident	81.3	Confident	18 Å²	18	51.8 Å²	51.8	7%	0.071	27%	0.273	C	S	.	.			trans	-151.5	161.5	177.3	54.6	-94.7	0	0	0	111.4	Q275 V278 E279 P305 G309 L310	Q275-Y307 HydrophobicContact CB-CD1 4.46Å; Q275-Y307 HydrophobicContact CB-CD2 3.99Å; Q275-Y307 HydrophobicContact CB-CE2 4.13Å; Q275-Y307 HydrophobicContact CB-CG 4.19Å; Q275-Y307 HydrophobicContact CG-CD1 4.38Å; Q275-Y307 HydrophobicContact CG-CD2 3.98Å; Q275-Y307 HydrophobicContact CG-CE1 3.99Å; Q275-Y307 HydrophobicContact CG-CE2 3.58Å; Q275-Y307 HydrophobicContact CG-CG 4.38Å; Q275-Y307 PolarHBondContact NE2-OH 3.45Å; V278-Y307 HydrophobicContact CB-CD1 4.33Å; V278-Y307 HydrophobicContact CG1-CD1 3.93Å; V278-Y307 HydrophobicContact CG1-CE1 4.31Å; E279-Y307 HydrophobicContact CG-CE1 4.24Å; E279-Y307 WeakPolarHBondContact OE1-CE1 3.1Å; E279-Y307 VanDerWaalsContact OE1-CZ 3.29Å; E279-Y307 PolarHBondContact OE1-OH 3.27Å; P305-Y307 HydrophobicContact CB-CD1 4.31Å; P305-Y307 HydrophobicContact CB-CE1 3.94Å; Y307-G309 VanDerWaalsContact C-N 3.26Å; Y307-G309 PolarHBondContact O-N 3.3Å; Y307-G309 VanDerWaalsContact O-N 3.14Å; Y307-L310 HydrophobicContact CD2-CB 4.11Å; Y307-L310 HydrophobicContact CE1-CB 4.46Å; Y307-L310 HydrophobicContact CE1-CD1 4.19Å; Y307-L310 HydrophobicContact CE2-CB 3.91Å; Y307-L310 HydrophobicContact CE2-CD1 4.48Å; Y307-L310 HydrophobicContact CG-CB 4.44Å; Y307-L310 VanDerWaalsContact O-CB 3.26Å; Y307-L310 WeakPolarHBondContact O-CB 3.39Å; Y307-L310 PolarHBondContact O-N 3.47Å
308	S	77.3	Confident	82.1	Confident	85 Å²	85	49.9 Å²	49.9	59%	0.594	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.2	-170.7	-58.2	0	0	0	0	115.1
309	G	71.6	Confident	82.8	Confident	34 Å²	34	41.6 Å²	41.6	35%	0.351	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.5	179	0	0	0	0	0	115.4	Y307	Y307-G309 VanDerWaalsContact C-N 3.26Å; Y307-G309 PolarHBondContact O-N 3.3Å; Y307-G309 VanDerWaalsContact O-N 3.14Å
310	L	74.4	Confident	83.1	Confident	15 Å²	15	44.2 Å²	44.2	8%	0.079	24%	0.24	C	C	.	.	S	Bend	trans	-71.3	139.3	-178.1	-171.4	70.4	0	0	0	110.5	P305 Y307 D314 Q315	P305-L310 HydrophobicContact CG-CD1 4.25Å; P305-L310 HydrophobicContact CG-CD2 4.3Å; P305-L310 VanDerWaalsContact O-CD2 3.23Å; P305-L310 WeakPolarHBondContact O-CD2 3.3Å; Y307-L310 HydrophobicContact CD2-CB 4.11Å; Y307-L310 HydrophobicContact CE1-CB 4.46Å; Y307-L310 HydrophobicContact CE1-CD1 4.19Å; Y307-L310 HydrophobicContact CE2-CB 3.91Å; Y307-L310 HydrophobicContact CE2-CD1 4.48Å; Y307-L310 HydrophobicContact CG-CB 4.44Å; Y307-L310 VanDerWaalsContact O-CB 3.26Å; Y307-L310 WeakPolarHBondContact O-CB 3.39Å; Y307-L310 PolarHBondContact O-N 3.47Å; L310-D314 HydrophobicContact CD1-CB 4.08Å; L310-D314 HydrophobicContact CD2-CB 3.99Å; L310-D314 HydrophobicContact CG-CB 3.86Å; L310-Q315 HydrophobicContact CB-CG 3.92Å; L310-Q315 HydrophobicContact CD2-CG 3.9Å; L310-Q315 HydrophobicContact CG-CG 4.11Å; L310-Q315 PolarHBondContact O-NE2 3.47Å
311	P	69.4	Low	82.8	Confident	75 Å²	75	49.2 Å²	49.2	49%	0.487	26%	0.255	S	S	.	.			trans	-55.8	144.1	175.8	-26	35.6	0	0	0	112.8	A313 D314 Q315	P311-A313 VanDerWaalsContact C-N 3.31Å; P311-A313 PolarHBondContact O-N 3.09Å; P311-D314 PolarHBondContact O-N 2.66Å; P311-Q315 PolarHBondContact O-N 3.32Å
312	Y	68.9	Low	82.5	Confident	78 Å²	78	48.8 Å²	48.8	31%	0.306	26%	0.255	S	S	.	.	H	α-helix	trans	-55.3	-43.3	-176.4	-175.5	-96.7	0	0	0	113.2	P27 D314 Q315 M316	P27-Y312 WeakPolarHBondContact CA-OH 3.35Å; P27-Y312 HydrophobicContact CB-CE1 4.47Å; P27-Y312 HydrophobicContact CB-CE2 4.32Å; P27-Y312 WeakPolarHBondContact CB-OH 3.32Å; Y312-D314 VanDerWaalsContact C-N 3.26Å; Y312-D314 PolarHBondContact O-N 2.84Å; Y312-Q315 WeakPolarHBondContact O-CB 3.45Å; Y312-Q315 PolarHBondContact O-N 3.04Å; Y312-M316 HydrophobicContact CD1-CG 4.02Å; Y312-M316 HydrophobicContact CD2-CE 4.17Å; Y312-M316 HydrophobicContact CE1-CE 4.25Å; Y312-M316 HydrophobicContact CE1-CG 3.47Å; Y312-M316 VanDerWaalsContact CE1-CG 3.47Å; Y312-M316 HydrophobicContact CE1-SD 3.93Å; Y312-M316 HydrophobicContact CE2-CE 3.54Å; Y312-M316 HydrophobicContact CE2-CG 4.48Å; Y312-M316 HydrophobicContact CE2-SD 4.17Å; Y312-M316 VanDerWaalsContact CZ-SD 3.51Å; Y312-M316 WeakPolarHBondContact O-CG 3.5Å; Y312-M316 PolarHBondContact O-N 2.89Å; Y312-M316 WeakPolarHBondContact OH-CE 3.28Å; Y312-M316 PolarHBondContact OH-SD 3.04Å
313	A	71.3	Confident	82.2	Confident	62 Å²	62	49.2 Å²	49.2	51%	0.512	27%	0.267	S	S	.	.	H	α-helix	trans	-60.1	-36.4	178.8	0	0	0	0	0	112.4	P311 M316	P311-A313 VanDerWaalsContact C-N 3.31Å; P311-A313 PolarHBondContact O-N 3.09Å; A313-M316 PolarHBondContact O-N 3.33Å
314	D	77.5	Confident	81.6	Confident	57 Å²	57	52.8 Å²	52.8	31%	0.305	29%	0.293	S	S	.	.	H	α-helix	trans	-77.1	-36.6	176.8	-66.5	-43.9	0	0	0	112.1	L310 P311 Y312 M316 K317	L310-D314 HydrophobicContact CD1-CB 4.08Å; L310-D314 HydrophobicContact CD2-CB 3.99Å; L310-D314 HydrophobicContact CG-CB 3.86Å; P311-D314 PolarHBondContact O-N 2.66Å; Y312-D314 VanDerWaalsContact C-N 3.26Å; Y312-D314 PolarHBondContact O-N 2.84Å; D314-M316 PolarHBondContact O-N 3.03Å; D314-K317 WeakPolarHBondContact O-CB 3.37Å; D314-K317 PolarHBondContact O-N 3.13Å; D314-K317 WeakPolarHBondContact OD1-CE 3.38Å; D314-K317 IonicContact OD1-NZ 3.66Å; D314-K317 PolarHBondContact OD1-NZ 3.22Å
315	Q	78	Confident	81.2	Confident	12 Å²	12	55.9 Å²	55.9	6%	0.056	31%	0.313	C	S	.	.	H	α-helix	trans	-58.2	-35.2	171	-67.9	-175.2	20	0	0	111.2	L310 P311 Y312 K317 V318	L310-Q315 HydrophobicContact CB-CG 3.92Å; L310-Q315 HydrophobicContact CD2-CG 3.9Å; L310-Q315 HydrophobicContact CG-CG 4.11Å; L310-Q315 PolarHBondContact O-NE2 3.47Å; P311-Q315 PolarHBondContact O-N 3.32Å; Y312-Q315 WeakPolarHBondContact O-CB 3.45Å; Y312-Q315 PolarHBondContact O-N 3.04Å; Q315-K317 VanDerWaalsContact C-N 3.28Å; Q315-K317 PolarHBondContact O-N 3.48Å; Q315-V318 WeakPolarHBondContact O-CG2 3.37Å; Q315-V318 PolarHBondContact O-N 3.4Å
316	M	79.2	Confident	81.1	Confident	36 Å²	36	56.1 Å²	56.1	18%	0.177	31%	0.314	C	S	.	.	H	α-helix	trans	-68.2	-26.2	-179.6	-69.9	-52.1	99.1	0	0	113.8	Y312 A313 D314 V318 F319	Y312-M316 HydrophobicContact CD1-CG 4.02Å; Y312-M316 HydrophobicContact CD2-CE 4.17Å; Y312-M316 HydrophobicContact CE1-CE 4.25Å; Y312-M316 HydrophobicContact CE1-CG 3.47Å; Y312-M316 VanDerWaalsContact CE1-CG 3.47Å; Y312-M316 HydrophobicContact CE1-SD 3.93Å; Y312-M316 HydrophobicContact CE2-CE 3.54Å; Y312-M316 HydrophobicContact CE2-CG 4.48Å; Y312-M316 HydrophobicContact CE2-SD 4.17Å; Y312-M316 VanDerWaalsContact CZ-SD 3.51Å; Y312-M316 WeakPolarHBondContact O-CG 3.5Å; Y312-M316 PolarHBondContact O-N 2.89Å; Y312-M316 WeakPolarHBondContact OH-CE 3.28Å; Y312-M316 PolarHBondContact OH-SD 3.04Å; A313-M316 PolarHBondContact O-N 3.33Å; D314-M316 PolarHBondContact O-N 3.03Å; M316-V318 PolarHBondContact O-N 3.13Å; M316-V318 VanDerWaalsContact O-N 3.13Å; M316-F319 HydrophobicContact CE-CD2 4.15Å; M316-F319 HydrophobicContact CE-CE2 3.64Å; M316-F319 PolarHBondContact O-N 3.38Å; M316-F319 VanDerWaalsContact O-N 3.08Å; M316-F319 HydrophobicContact SD-CD2 4.08Å; M316-F319 HydrophobicContact SD-CE2 4.11Å
317	K	85.2	Confident	81.2	Confident	80 Å²	80	56.6 Å²	56.6	35%	0.348	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-60.1	-27.5	179.5	-66	173.6	179.7	166.7	0	112.8	L304 D314 Q315 F319 E320	L304-K317 HydrophobicContact CD1-CB 4.37Å; L304-K317 WeakPolarHBondContact CD1-O 3.28Å; L304-K317 HydrophobicContact CD2-CB 4.26Å; D314-K317 WeakPolarHBondContact O-CB 3.37Å; D314-K317 PolarHBondContact O-N 3.13Å; D314-K317 WeakPolarHBondContact OD1-CE 3.38Å; D314-K317 IonicContact OD1-NZ 3.66Å; D314-K317 PolarHBondContact OD1-NZ 3.22Å; Q315-K317 VanDerWaalsContact C-N 3.28Å; Q315-K317 PolarHBondContact O-N 3.48Å; K317-F319 PolarHBondContact O-N 3.06Å; K317-E320 WeakPolarHBondContact O-CB 3.42Å; K317-E320 PolarHBondContact O-N 3Å
318	V	86.9	Confident	81.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-65.9	-24.3	180	-50.6	0	0	0	0	112.5	L304 M306 Q315 M316 K328 V330 I342	L304-V318 HydrophobicContact CB-CG1 4.16Å; L304-V318 HydrophobicContact CD1-CG1 4.44Å; M306-V318 HydrophobicContact CB-CG1 4.38Å; M306-V318 HydrophobicContact CE-CG2 4.13Å; M306-V318 HydrophobicContact CG-CG1 4.46Å; M306-V318 HydrophobicContact SD-CG1 4.41Å; M306-V318 HydrophobicContact SD-CG2 3.99Å; Q315-V318 WeakPolarHBondContact O-CG2 3.37Å; Q315-V318 PolarHBondContact O-N 3.4Å; M316-V318 PolarHBondContact O-N 3.13Å; M316-V318 VanDerWaalsContact O-N 3.13Å; V318-K328 PolarHBondContact O-NZ 3.38Å; V318-V330 HydrophobicContact CB-CG1 4.44Å; V318-V330 HydrophobicContact CB-CG2 4.32Å; V318-V330 HydrophobicContact CG1-CG1 4.17Å; V318-I342 HydrophobicContact CB-CD1 4.45Å; V318-I342 HydrophobicContact CG2-CD1 4.21Å; V318-I342 HydrophobicContact CG2-CG1 4.34Å
319	F	84.6	Confident	82.6	Confident	26 Å²	26	51.7 Å²	51.7	11%	0.114	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-86.3	-17.5	-179.8	-60.8	-79.2	0	0	0	113.5	F30 M316 K317 R321 I340	F30-F319 HydrophobicContact CB-CB 3.64Å; F30-F319 HydrophobicContact CB-CD1 4.07Å; F30-F319 HydrophobicContact CB-CG 4.09Å; F30-F319 HydrophobicContact CD2-CB 4.26Å; F30-F319 WeakPolarHBondContact CD2-O 3.49Å; F30-F319 VanDerWaalsContact CE2-O 3.32Å; F30-F319 WeakPolarHBondContact CE2-O 3.42Å; F30-F319 HydrophobicContact CG-CB 3.96Å; M316-F319 HydrophobicContact CE-CD2 4.15Å; M316-F319 HydrophobicContact CE-CE2 3.64Å; M316-F319 PolarHBondContact O-N 3.38Å; M316-F319 VanDerWaalsContact O-N 3.08Å; M316-F319 HydrophobicContact SD-CD2 4.08Å; M316-F319 HydrophobicContact SD-CE2 4.11Å; K317-F319 PolarHBondContact O-N 3.06Å; F319-R321 PolarHBondContact O-N 3.45Å; F319-I340 HydrophobicContact CE1-CG2 3.26Å; F319-I340 HydrophobicContact CE2-CG2 4.43Å; F319-I340 HydrophobicContact CZ-CB 4.49Å; F319-I340 HydrophobicContact CZ-CD1 4.49Å; F319-I340 HydrophobicContact CZ-CG2 3.18Å
320	E	85.1	Confident	83.8	Confident	86 Å²	86	50.1 Å²	50.1	40%	0.402	27%	0.267	S	S	.	.	S	Bend	trans	-61.2	137.6	177.2	-65.1	171.6	-160	0	0	110.6	R302 K317 A322 K328	R302-E320 IonicContact CZ-OE2 3.95Å; R302-E320 VanDerWaalsContact CZ-OE2 3.27Å; R302-E320 IonicContact NH1-OE2 3Å; R302-E320 PolarHBondContact NH1-OE2 3.01Å; R302-E320 IonicContact NH2-OE2 3.27Å; R302-E320 PolarHBondContact NH2-OE2 3.4Å; K317-E320 WeakPolarHBondContact O-CB 3.42Å; K317-E320 PolarHBondContact O-N 3Å; E320-A322 PolarHBondContact O-N 3.46Å; E320-K328 PolarHBondContact O-NZ 3.24Å
321	R	82.3	Confident	84.9	Confident	214 Å²	214	49.4 Å²	49.4	81%	0.808	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-76.1	126.2	176.6	-168.5	171.8	-176.5	172	-0.1	109.1	F319	F319-R321 PolarHBondContact O-N 3.45Å
322	A	85.6	Confident	86.1	Confident	15 Å²	15	45.8 Å²	45.8	12%	0.124	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-75.4	143.8	173	0	0	0	0	0	110.3	E320 V326 K328	E320-A322 PolarHBondContact O-N 3.46Å; A322-V326 HydrophobicContact CB-CB 4.17Å; A322-V326 HydrophobicContact CB-CG1 4.2Å; A322-K328 HydrophobicContact CB-CB 4.2Å
323	P	86.9	Confident	87.2	Confident	80 Å²	80	42.5 Å²	42.5	52%	0.519	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-57.2	157.2	167.5	-22.8	33	0	0	0	111.6	T325 V326	P323-T325 PolarHBondContact O-N 3.12Å; P323-T325 VanDerWaalsContact O-N 3.11Å; P323-V326 HydrophobicContact CB-CG2 4.38Å; P323-V326 HydrophobicContact CG-CG2 4.37Å; P323-V326 PolarHBondContact O-N 2.92Å; P323-V326 VanDerWaalsContact O-O 3.05Å
324	S	83.9	Confident	88	Confident	93 Å²	93	41.7 Å²	41.7	65%	0.65	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.1	-179	54	0	0	0	0	114	K299 V326	K299-S324 VanDerWaalsContact CE-O 3.29Å; K299-S324 WeakPolarHBondContact CE-O 3.48Å; K299-S324 PolarHBondContact NZ-O 3.34Å; S324-V326 PolarHBondContact O-N 3.03Å
325	T	86.9	Confident	88.3	Confident	84 Å²	84	39.7 Å²	39.7	52%	0.515	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-3.8	176.1	55.6	0	0	0	0	113.7	K299 H300 P323	K299-T325 CarbonylContact C-O 3.56Å; K299-T325 WeakPolarHBondContact CA-O 3.4Å; K299-T325 WeakPolarHBondContact CB-O 3.4Å; H300-T325 PolarHBondContact N-O 2.84Å; P323-T325 PolarHBondContact O-N 3.12Å; P323-T325 VanDerWaalsContact O-N 3.11Å
326	V	91.1	Very high	88.7	Confident	28 Å²	28	39.2 Å²	39.2	17%	0.17	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.8	-174.9	-177.4	0	0	0	0	109.8	H300 R302 A322 P323 S324	H300-V326 HydrophobicContact CB-CG2 4.27Å; H300-V326 CarbonylContact O-C 3.6Å; H300-V326 VanDerWaalsContact O-CA 3.27Å; H300-V326 WeakPolarHBondContact O-CA 3.28Å; R302-V326 HydrophobicContact CB-CG1 3.58Å; A322-V326 HydrophobicContact CB-CB 4.17Å; A322-V326 HydrophobicContact CB-CG1 4.2Å; P323-V326 HydrophobicContact CB-CG2 4.38Å; P323-V326 HydrophobicContact CG-CG2 4.37Å; P323-V326 PolarHBondContact O-N 2.92Å; P323-V326 VanDerWaalsContact O-O 3.05Å; S324-V326 PolarHBondContact O-N 3.03Å
327	R	93.4	Very high	88.8	Confident	10 Å²	10	38.4 Å²	38.4	4%	0.038	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.1	167.2	-177.1	170.9	-62.5	-174.6	5.6	109.2	I259 E263 D264 G266 H300 L301 R302	I259-R327 PolarHBondContact O-NH1 3.08Å; E263-R327 PolarHBondContact O-NH2 2.76Å; D264-R327 PolarHBondContact O-NH2 2.77Å; G266-R327 VanDerWaalsContact O-CD 3.29Å; G266-R327 WeakPolarHBondContact O-CD 3.24Å; G266-R327 WeakPolarHBondContact O-CG 3.3Å; G266-R327 PolarHBondContact O-NE 2.68Å; H300-R327 PolarHBondContact O-N 2.62Å; L301-R327 HydrophobicContact CD2-CB 4.06Å; R302-R327 PolarHBondContact N-O 3.25Å
328	K	95.2	Very high	87.9	Confident	1 Å²	1	34.9 Å²	34.9	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	133.2	175	-173.6	173.9	54.6	179.6	0	109.5	D267 V268 R302 L304 V318 E320 A322 V330	D267-K328 WeakPolarHBondContact CA-O 3.36Å; D267-K328 HydrophobicContact CB-CB 4.16Å; D267-K328 WeakPolarHBondContact CB-O 2.99Å; D267-K328 WeakPolarHBondContact OD1-CB 3.47Å; D267-K328 PolarHBondContact OD1-N 2.99Å; D267-K328 VanDerWaalsContact OD2-CE 3.26Å; D267-K328 WeakPolarHBondContact OD2-CE 2.77Å; D267-K328 IonicContact OD2-NZ 3.51Å; V268-K328 PolarHBondContact N-O 2.71Å; R302-K328 CarbonylContact O-C 3.49Å; R302-K328 WeakPolarHBondContact O-CA 3.3Å; L304-K328 HydrophobicContact CD1-CD 3.96Å; L304-K328 HydrophobicContact CD1-CG 4.09Å; V318-K328 PolarHBondContact O-NZ 3.38Å; E320-K328 PolarHBondContact O-NZ 3.24Å; A322-K328 HydrophobicContact CB-CB 4.2Å; K328-V330 HydrophobicContact CD-CG2 4.32Å; K328-V330 HydrophobicContact CG-CG2 4.13Å
329	I	96.8	Very high	86.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	115.5	174.1	-59	157.5	0	0	0	106.9	V256 V268 L285 L301 R302 I303 L304 V331	V256-I329 HydrophobicContact CG1-CD1 3.43Å; V256-I329 VanDerWaalsContact CG1-CD1 3.43Å; V256-I329 HydrophobicContact CG1-CG1 3.93Å; V256-I329 HydrophobicContact CG1-CG2 4.05Å; V256-I329 HydrophobicContact CG2-CG2 4.33Å; V268-I329 HydrophobicContact CB-CG1 4.31Å; V268-I329 HydrophobicContact CB-CG2 4.35Å; V268-I329 HydrophobicContact CG2-CG1 4.43Å; L285-I329 HydrophobicContact CD1-CG2 4.04Å; L301-I329 HydrophobicContact CB-CD1 4.2Å; L301-I329 HydrophobicContact CD1-CD1 3.96Å; L301-I329 HydrophobicContact CD2-CD1 3.52Å; L301-I329 HydrophobicContact CD2-CG1 4.3Å; L301-I329 HydrophobicContact CG-CD1 4.1Å; R302-I329 PolarHBondContact O-N 3.33Å; I303-I329 CarbonylContact C-O 3.53Å; I303-I329 WeakPolarHBondContact CA-O 3.29Å; I303-I329 HydrophobicContact CG1-CB 4.33Å; I303-I329 HydrophobicContact CG1-CD1 3.9Å; L304-I329 PolarHBondContact N-O 3.1Å; I329-V331 HydrophobicContact CG2-CG2 4.2Å
330	V	96.8	Very high	86	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.1	174.2	-174.5	0	0	0	0	108.5	V268 L269 A270 L304 M306 V318 K328 A332 I342	V268-V330 PolarHBondContact O-N 2.65Å; L269-V330 CarbonylContact C-O 3.55Å; L269-V330 WeakPolarHBondContact CA-O 3.15Å; L269-V330 HydrophobicContact CD1-CB 3.93Å; L269-V330 HydrophobicContact CD1-CG1 3.93Å; A270-V330 PolarHBondContact N-O 2.9Å; L304-V330 WeakPolarHBondContact O-CA 3.5Å; M306-V330 HydrophobicContact CB-CG1 4.12Å; V318-V330 HydrophobicContact CB-CG1 4.44Å; V318-V330 HydrophobicContact CB-CG2 4.32Å; V318-V330 HydrophobicContact CG1-CG1 4.17Å; K328-V330 HydrophobicContact CD-CG2 4.32Å; K328-V330 HydrophobicContact CG-CG2 4.13Å; V330-A332 HydrophobicContact CG1-CB 4.34Å; V330-I342 HydrophobicContact CB-CD1 4.37Å; V330-I342 HydrophobicContact CG1-CD1 3.89Å; V330-I342 HydrophobicContact CG2-CD1 4.3Å; V330-I342 HydrophobicContact CG2-CG2 4.4Å
331	V	97.6	Very high	85.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	111.3	174.9	-171.5	0	0	0	0	107.4	L272 V278 V281 V282 L285 L304 P305 M306 I329	L272-V331 HydrophobicContact CD1-CG1 3.54Å; L272-V331 HydrophobicContact CG-CG1 4.29Å; V278-V331 HydrophobicContact CB-CG1 4.28Å; V278-V331 HydrophobicContact CG1-CB 4.17Å; V278-V331 HydrophobicContact CG1-CG1 4.01Å; V278-V331 WeakPolarHBondContact CG1-O 3.34Å; V278-V331 HydrophobicContact CG2-CG1 4.2Å; V281-V331 HydrophobicContact CB-CG1 4.15Å; V281-V331 HydrophobicContact CG1-CG1 4Å; V281-V331 HydrophobicContact CG1-CG2 3.95Å; V282-V331 HydrophobicContact CG2-CB 4.04Å; V282-V331 HydrophobicContact CG2-CG2 3.98Å; L285-V331 HydrophobicContact CD1-CG2 4.17Å; L304-V331 PolarHBondContact O-N 2.95Å; P305-V331 CarbonylContact C-O 3.55Å; P305-V331 WeakPolarHBondContact CA-O 3.32Å; M306-V331 PolarHBondContact N-O 3.31Å; I329-V331 HydrophobicContact CG2-CG2 4.2Å
332	A	94.9	Very high	85.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	154.6	-165.7	0	0	0	0	0	113.4	L269 A270 F271 L272 M306 V330 A336	L269-A332 HydrophobicContact CD1-CB 3.84Å; A270-A332 PolarHBondContact O-N 2.79Å; F271-A332 CarbonylContact C-O 3.55Å; F271-A332 WeakPolarHBondContact CA-O 3.35Å; L272-A332 PolarHBondContact N-O 3Å; M306-A332 HydrophobicContact CB-CB 3.89Å; M306-A332 VanDerWaalsContact O-CA 3.28Å; M306-A332 WeakPolarHBondContact O-CA 3.44Å; V330-A332 HydrophobicContact CG1-CB 4.34Å; A332-A336 HydrophobicContact CB-CB 3.77Å
333	T	92.7	Very high	85.2	Confident	9 Å²	9	25.5 Å²	25.5	6%	0.055	16%	0.156	C	C	.	.			trans	-82.1	-173.1	161.2	56.1	0	0	0	0	110.7	L272 V278 M306 I335 A336	L272-T333 WeakPolarHBondContact O-CA 3.49Å; V278-T333 HydrophobicContact CG2-CG2 4.18Å; M306-T333 PolarHBondContact O-N 2.96Å; M306-T333 PolarHBondContact O-OG1 3.21Å; T333-I335 PolarHBondContact O-N 3.39Å; T333-I335 WeakPolarHBondContact OG1-CG2 3.3Å; T333-A336 PolarHBondContact O-N 2.92Å
334	N	88.4	Confident	85.2	Confident	45 Å²	45	22.9 Å²	22.9	24%	0.241	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-61.1	1.6	173.4	71.4	-35.6	0	0	0	114.6	A336 E337 V354	N334-A336 PolarHBondContact O-N 3.44Å; N334-E337 HydrophobicContact CB-CB 4.42Å; N334-E337 WeakPolarHBondContact CB-OE2 3.47Å; N334-E337 VanDerWaalsContact O-CB 3.28Å; N334-E337 WeakPolarHBondContact O-CB 3.45Å; N334-E337 PolarHBondContact O-N 2.84Å; N334-V354 HydrophobicContact CB-CG2 4.02Å
335	I	83.3	Confident	85.7	Confident	15 Å²	15	18.6 Å²	18.6	8%	0.077	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-60	-30.1	168.6	-164.6	170.3	0	0	0	113	M306 T333 E337 I340	M306-I335 HydrophobicContact CB-CG2 4.43Å; M306-I335 HydrophobicContact CE-CD1 4.48Å; M306-I335 HydrophobicContact CE-CG2 4.34Å; M306-I335 HydrophobicContact CG-CG2 3.77Å; M306-I335 HydrophobicContact SD-CG2 4.11Å; T333-I335 PolarHBondContact O-N 3.39Å; T333-I335 WeakPolarHBondContact OG1-CG2 3.3Å; I335-E337 VanDerWaalsContact C-N 3.34Å; I335-I340 HydrophobicContact CG1-CD1 4.12Å
336	A	85	Confident	86	Confident	1 Å²	1	15.6 Å²	15.6	1%	0.008	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-87.8	-0.7	178.9	0	0	0	0	0	113.5	L269 F271 M306 A332 T333 N334 R384	L269-A336 HydrophobicContact CD1-CB 4.09Å; L269-A336 HydrophobicContact CD2-CB 4.18Å; F271-A336 HydrophobicContact CE1-CB 3.94Å; F271-A336 HydrophobicContact CZ-CB 4.29Å; M306-A336 HydrophobicContact SD-CB 4.45Å; A332-A336 HydrophobicContact CB-CB 3.77Å; T333-A336 PolarHBondContact O-N 2.92Å; N334-A336 PolarHBondContact O-N 3.44Å; A336-R384 PolarHBondContact O-NE 3.03Å; A336-R384 PolarHBondContact O-NH1 3.47Å
337	E	83.3	Confident	86.3	Confident	19 Å²	19	14.4 Å²	14.4	9%	0.089	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-38	-170	-172.2	177.7	149.1	0	0	114.4	F271 N334 I335 S377 Q380 R381 R384	F271-E337 HydrophobicContact CE1-CB 4.25Å; N334-E337 HydrophobicContact CB-CB 4.42Å; N334-E337 WeakPolarHBondContact CB-OE2 3.47Å; N334-E337 VanDerWaalsContact O-CB 3.28Å; N334-E337 WeakPolarHBondContact O-CB 3.45Å; N334-E337 PolarHBondContact O-N 2.84Å; I335-E337 VanDerWaalsContact C-N 3.34Å; E337-S377 WeakPolarHBondContact OE1-CA 3.38Å; E337-S377 WeakPolarHBondContact OE1-CB 3.49Å; E337-S377 PolarHBondContact OE1-OG 3.15Å; E337-S377 PolarHBondContact OE2-OG 3.42Å; E337-Q380 HydrophobicContact CG-CB 4.19Å; E337-R381 HydrophobicContact CG-CG 4.12Å; E337-R381 IonicContact OE2-NE 2.96Å; E337-R381 IonicContact OE2-NH2 3.62Å; E337-R384 VanDerWaalsContact C-CZ 3.44Å; E337-R384 PolarHBondContact O-NE 2.85Å; E337-R384 PolarHBondContact O-NH2 3.44Å
338	T	65.3	Low	86.5	Confident	6 Å²	6	14 Å²	14	4%	0.037	9%	0.085	C	C	.	.	S	Bend	trans	-129.8	-55.2	-172.5	48.9	0	0	0	0	111.5	T70 H170 E171 I340 R384	T70-T338 WeakPolarHBondContact CG2-O 3.02Å; H170-T338 VanDerWaalsContact NE2-CG2 3.25Å; H170-T338 WeakPolarHBondContact NE2-CG2 3.35Å; E171-T338 PolarHBondContact OE1-OG1 2.94Å; T338-I340 PolarHBondContact O-N 2.88Å; T338-R384 VanDerWaalsContact N-NH2 3.13Å; T338-R384 PolarHBondContact O-NH2 3.26Å
339	S	61.7	Low	86.7	Confident	34 Å²	34	13.9 Å²	13.9	24%	0.238	8%	0.084	C	C	.	.	S	Bend	trans	-85.2	-5.6	-162.5	-36.1	0	0	0	0	117.1	R100 E171	R100-S339 VanDerWaalsContact CD-OG 3.3Å; R100-S339 WeakPolarHBondContact CD-OG 3.34Å; R100-S339 PolarHBondContact NE-OG 2.68Å; R100-S339 VanDerWaalsContact NE-OG 3.12Å; E171-S339 PolarHBondContact OE1-OG 2.78Å
340	I	69.7	Low	86.7	Confident	28 Å²	28	13.9 Å²	13.9	14%	0.144	8%	0.084	C	C	.	.			trans	-136.6	135.2	-169.7	-65.9	179.9	0	0	0	111.8	M306 F319 I335 T338 I342 R384	M306-I340 HydrophobicContact CE-CD1 3.38Å; M306-I340 HydrophobicContact CE-CG2 4.2Å; F319-I340 HydrophobicContact CE1-CG2 3.26Å; F319-I340 HydrophobicContact CE2-CG2 4.43Å; F319-I340 HydrophobicContact CZ-CB 4.49Å; F319-I340 HydrophobicContact CZ-CD1 4.49Å; F319-I340 HydrophobicContact CZ-CG2 3.18Å; I335-I340 HydrophobicContact CG1-CD1 4.12Å; T338-I340 PolarHBondContact O-N 2.88Å; I340-I342 HydrophobicContact CG2-CG1 4.28Å; I340-R384 PolarHBondContact O-NH1 2.9Å
341	T	73.5	Confident	86.7	Confident	56 Å²	56	14 Å²	14	34%	0.344	9%	0.085	S	C	.	.			trans	-105.1	109.4	175	-54.1	0	0	0	0	111.1	R387	T341-R387 VanDerWaalsContact CB-NH1 3.26Å; T341-R387 PolarHBondContact OG1-NH1 2.95Å
342	I	82.6	Confident	86.7	Confident	10 Å²	10	14.3 Å²	14.3	5%	0.051	9%	0.087	C	C	.	.			trans	-91.1	118.8	171.8	-54.1	177.3	0	0	0	107.9	L269 M306 V318 V330 I340 I345	L269-I342 HydrophobicContact CD1-CD1 4.3Å; M306-I342 HydrophobicContact SD-CD1 4Å; V318-I342 HydrophobicContact CB-CD1 4.45Å; V318-I342 HydrophobicContact CG2-CD1 4.21Å; V318-I342 HydrophobicContact CG2-CG1 4.34Å; V330-I342 HydrophobicContact CB-CD1 4.37Å; V330-I342 HydrophobicContact CG1-CD1 3.89Å; V330-I342 HydrophobicContact CG2-CD1 4.3Å; V330-I342 HydrophobicContact CG2-CG2 4.4Å; I340-I342 HydrophobicContact CG2-CG1 4.28Å; I342-I345 HydrophobicContact CB-CD1 4.41Å; I342-I345 HydrophobicContact CB-CG1 3.9Å; I342-I345 HydrophobicContact CG2-CD1 3.9Å; I342-I345 HydrophobicContact CG2-CG1 3.86Å
343	T	80.8	Confident	86.7	Confident	17 Å²	17	17.5 Å²	17.5	10%	0.104	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	144.9	179.8	57.7	0	0	0	0	111.6	F30 P32	F30-T343 HydrophobicContact CD1-CG2 3.87Å; F30-T343 HydrophobicContact CE1-CG2 3.57Å; F30-T343 WeakPolarHBondContact CE1-OG1 3.45Å; P32-T343 HydrophobicContact CB-CG2 4.31Å; P32-T343 HydrophobicContact CG-CG2 4.29Å
344	G	87.5	Confident	86.7	Confident	24 Å²	24	17.6 Å²	17.6	25%	0.247	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	-10.7	176.8	0	0	0	0	0	114.4	D267 M346	D267-G344 WeakPolarHBondContact CB-O 3.42Å; D267-G344 PolarHBondContact N-O 2.94Å; G344-M346 PolarHBondContact O-N 3.19Å
345	I	92.6	Very high	86.7	Confident	4 Å²	4	18.5 Å²	18.5	2%	0.021	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	127.5	177.4	-56.6	-54	0	0	0	110	D267 L269 I342 V348	D267-I345 HydrophobicContact CB-CD1 3.81Å; L269-I345 HydrophobicContact CB-CD1 3.93Å; L269-I345 HydrophobicContact CB-CG1 4.2Å; L269-I345 HydrophobicContact CB-CG2 3.7Å; I342-I345 HydrophobicContact CB-CD1 4.41Å; I342-I345 HydrophobicContact CB-CG1 3.9Å; I342-I345 HydrophobicContact CG2-CD1 3.9Å; I342-I345 HydrophobicContact CG2-CG1 3.86Å; I345-V348 HydrophobicContact CG2-CG2 4.14Å
346	M	94.4	Very high	86.9	Confident	20 Å²	20	19.3 Å²	19.3	10%	0.099	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	-30.5	-180	-80.9	-87.8	-74.6	0	0	111.6	D265 D267 G344 A385 R389 G391 K392	D265-M346 WeakPolarHBondContact O-CE 3.37Å; D267-M346 PolarHBondContact O-N 2.77Å; G344-M346 PolarHBondContact O-N 3.19Å; M346-A385 WeakPolarHBondContact O-CB 3.46Å; M346-R389 HydrophobicContact CE-CG 4.24Å; M346-R389 VanDerWaalsContact SD-CD 3.53Å; M346-R389 HydrophobicContact SD-CG 3.2Å; M346-R389 WeakPolarHBondContact SD-CG 3.42Å; M346-R389 VanDerWaalsContact SD-CZ 3.52Å; M346-R389 PolarHBondContact SD-NE 2.92Å; M346-G391 CarbonylContact O-C 3.35Å; M346-G391 VanDerWaalsContact O-CA 3.22Å; M346-G391 WeakPolarHBondContact O-CA 3.46Å; M346-K392 PolarHBondContact O-N 3.48Å
347	F	97.4	Very high	86.8	Confident	4 Å²	4	25.5 Å²	25.5	2%	0.018	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.1	-175.9	-51	-72.7	0	0	0	108.5	I259 E263 D267 V268 L269 K392 F394	I259-F347 HydrophobicContact CD1-CB 4.19Å; I259-F347 HydrophobicContact CG2-CB 4.12Å; I259-F347 HydrophobicContact CG2-CD1 4.24Å; I259-F347 HydrophobicContact CG2-CD2 3.71Å; I259-F347 HydrophobicContact CG2-CE2 4.17Å; I259-F347 HydrophobicContact CG2-CG 3.75Å; E263-F347 HydrophobicContact CB-CE1 3.76Å; E263-F347 HydrophobicContact CB-CE2 4.2Å; E263-F347 HydrophobicContact CB-CZ 3.53Å; E263-F347 HydrophobicContact CG-CD1 4.42Å; E263-F347 HydrophobicContact CG-CE1 3.84Å; E263-F347 HydrophobicContact CG-CZ 4.15Å; D267-F347 PolarHBondContact O-N 3.14Å; D267-F347 VanDerWaalsContact O-N 3.15Å; V268-F347 CarbonylContact C-O 3.51Å; V268-F347 WeakPolarHBondContact CA-O 3.46Å; V268-F347 HydrophobicContact CG1-CB 4.45Å; V268-F347 HydrophobicContact CG2-CB 4.19Å; V268-F347 HydrophobicContact CG2-CD2 4.25Å; L269-F347 PolarHBondContact N-O 3.04Å; F347-K392 CarbonylContact C-O 3.55Å; F347-K392 WeakPolarHBondContact CA-O 3.39Å; F347-K392 HydrophobicContact CD1-CB 4.13Å; F347-K392 HydrophobicContact CE1-CD 4.26Å; F347-F394 HydrophobicContact CB-CE2 4.49Å; F347-F394 HydrophobicContact CD1-CE2 4.14Å
348	V	97.8	Very high	87	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.6	173.8	169.8	0	0	0	0	108.9	L269 F271 I345 R384 A385 K392 C393 F394	L269-V348 HydrophobicContact CB-CG2 4.45Å; L269-V348 CarbonylContact O-C 3.57Å; L269-V348 VanDerWaalsContact O-CA 3.29Å; L269-V348 WeakPolarHBondContact O-CA 3.43Å; F271-V348 HydrophobicContact CD2-CG1 4Å; F271-V348 HydrophobicContact CE2-CG1 3.91Å; I345-V348 HydrophobicContact CG2-CG2 4.14Å; V348-R384 HydrophobicContact CG2-CB 3.94Å; V348-A385 HydrophobicContact CB-CB 4.48Å; V348-A385 HydrophobicContact CG2-CB 3.86Å; V348-K392 PolarHBondContact N-O 3.1Å; V348-C393 HydrophobicContact CB-CB 4.37Å; V348-C393 CarbonylContact O-C 3.56Å; V348-C393 WeakPolarHBondContact O-CA 3.44Å; V348-F394 PolarHBondContact O-N 2.86Å
349	I	98.4	Very high	88.1	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.5	169	-56.9	169.2	0	0	0	107.4	T252 T255 V256 I259 V268 L269 A270 F271 F394 L396	T252-I349 HydrophobicContact CG2-CG2 4.35Å; T255-I349 HydrophobicContact CG2-CD1 3.8Å; T255-I349 HydrophobicContact CG2-CG1 3.95Å; V256-I349 HydrophobicContact CB-CD1 4.33Å; V256-I349 HydrophobicContact CG2-CD1 3.37Å; I259-I349 HydrophobicContact CD1-CD1 3.96Å; I259-I349 HydrophobicContact CD1-CG1 4.03Å; V268-I349 HydrophobicContact CG1-CD1 3.9Å; V268-I349 HydrophobicContact CG1-CG1 4.26Å; L269-I349 PolarHBondContact O-N 2.87Å; A270-I349 HydrophobicContact CB-CB 4.13Å; A270-I349 HydrophobicContact CB-CD1 4.44Å; F271-I349 PolarHBondContact N-O 2.96Å; I349-F394 WeakPolarHBondContact CA-O 3.46Å; I349-L396 HydrophobicContact CG2-CD1 3.77Å; I349-L396 HydrophobicContact CG2-CD2 4.08Å; I349-L396 HydrophobicContact CG2-CG 3.87Å
350	D	97.9	Very high	89.3	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117	-176.5	-177.9	17.4	0	0	0	110.9	A352 I373 R381 F394 R395 L396 Y397	D350-A352 VanDerWaalsContact C-N 3.3Å; D350-A352 PolarHBondContact O-N 2.93Å; D350-A352 PolarHBondContact OD1-N 2.9Å; D350-I373 WeakPolarHBondContact OD2-CD1 3.49Å; D350-R381 VanDerWaalsContact OD1-CD 3.3Å; D350-R381 WeakPolarHBondContact OD1-CD 3.34Å; D350-R381 IonicContact OD1-CZ 2.67Å; D350-R381 IonicContact OD1-NE 2.76Å; D350-R381 IonicContact OD1-NH1 3.54Å; D350-R381 PolarHBondContact OD1-NH1 3.37Å; D350-F394 PolarHBondContact N-O 3.49Å; D350-R395 HydrophobicContact CB-CG 4.39Å; D350-L396 PolarHBondContact O-N 2.91Å; D350-Y397 HydrophobicContact CB-CE1 4.31Å; D350-Y397 WeakPolarHBondContact O-CE1 3.25Å; D350-Y397 PolarHBondContact OD2-OH 2.87Å
351	C	96.5	Very high	90	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.014	15%	0.148	C	C	.	.			trans	-82.1	-0.8	178.1	74.2	0	0	0	0	114.4	Y248 F271 L272 F353	Y248-C351 HydrophobicContact CD2-CB 3.8Å; Y248-C351 HydrophobicContact CE2-CB 4.47Å; Y248-C351 HydrophobicContact CG-CB 4.06Å; F271-C351 PolarHBondContact O-SG 2.78Å; L272-C351 HydrophobicContact CD2-CB 4.4Å; C351-F353 WeakPolarHBondContact O-CD2 3.46Å; C351-F353 WeakPolarHBondContact O-CE2 3.14Å; C351-F353 PolarHBondContact O-N 2.71Å; C351-F353 VanDerWaalsContact O-N 3.14Å; C351-F353 PolarHBondContact SG-N 3.36Å
352	A	96.3	Very high	90.5	Very high	6 Å²	6	34.1 Å²	34.1	5%	0.05	16%	0.164	C	C	.	.	S	Bend	trans	64.9	1.4	-174.4	0	0	0	0	0	116.7	D350 P372 I373 Y397	D350-A352 VanDerWaalsContact C-N 3.3Å; D350-A352 PolarHBondContact O-N 2.93Å; D350-A352 PolarHBondContact OD1-N 2.9Å; A352-P372 CarbonylContact O-C 3.58Å; A352-P372 VanDerWaalsContact O-CA 3.3Å; A352-P372 WeakPolarHBondContact O-CA 3.33Å; A352-I373 HydrophobicContact CB-CG1 4.5Å; A352-I373 WeakPolarHBondContact O-CG1 3.15Å; A352-I373 PolarHBondContact O-N 2.99Å; A352-Y397 HydrophobicContact CB-CD1 3.21Å; A352-Y397 HydrophobicContact CB-CD2 4.28Å; A352-Y397 HydrophobicContact CB-CE1 3.28Å; A352-Y397 HydrophobicContact CB-CE2 4.31Å; A352-Y397 HydrophobicContact CB-CG 3.74Å
353	F	95.8	Very high	90.5	Very high	68 Å²	68	34.9 Å²	34.9	30%	0.298	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	157.4	-179.4	-62.7	-76	0	0	0	113.1	Y248 T273 C351 V370 T371 P372 R381	Y248-F353 AromaticContact CD1-CD2 3.92Å; Y248-F353 HydrophobicContact CD1-CD2 3.92Å; Y248-F353 AromaticContact CD1-CE2 3.97Å; Y248-F353 HydrophobicContact CD1-CE2 3.97Å; Y248-F353 AromaticContact CE1-CD2 3.75Å; Y248-F353 HydrophobicContact CE1-CD2 3.75Å; Y248-F353 HydrophobicContact CE1-CE2 4.03Å; T273-F353 HydrophobicContact CG2-CB 3.46Å; T273-F353 VanDerWaalsContact CG2-CB 3.46Å; C351-F353 WeakPolarHBondContact O-CD2 3.46Å; C351-F353 WeakPolarHBondContact O-CE2 3.14Å; C351-F353 PolarHBondContact O-N 2.71Å; C351-F353 VanDerWaalsContact O-N 3.14Å; C351-F353 PolarHBondContact SG-N 3.36Å; F353-V370 HydrophobicContact CB-CG1 3.95Å; F353-V370 HydrophobicContact CD1-CG1 4.12Å; F353-V370 HydrophobicContact CG-CG1 4.25Å; F353-T371 WeakPolarHBondContact CA-O 3.31Å; F353-P372 HydrophobicContact CD1-CG 4.46Å; F353-P372 HydrophobicContact CE1-CG 4.12Å; F353-R381 PolarHBondContact O-NH1 3.18Å; F353-R381 PolarHBondContact O-NH2 2.77Å
354	V	93.3	Very high	90.5	Very high	10 Å²	10	35.3 Å²	35.3	6%	0.061	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	149.2	173.5	59.2	0	0	0	0	109.1	N334 L356 V370 T371 I373	N334-V354 HydrophobicContact CB-CG2 4.02Å; V354-L356 HydrophobicContact CG1-CD1 3.76Å; V354-L356 HydrophobicContact CG1-CD2 4.27Å; V354-L356 HydrophobicContact CG1-CG 3.81Å; V354-L356 HydrophobicContact CG2-CD2 3.9Å; V354-L356 HydrophobicContact CG2-CG 4.17Å; V354-V370 WeakPolarHBondContact O-CA 3.23Å; V354-T371 PolarHBondContact N-O 3.3Å; V354-T371 PolarHBondContact O-N 2.98Å; V354-T371 VanDerWaalsContact O-O 3.13Å; V354-I373 HydrophobicContact CB-CG2 3.88Å; V354-I373 HydrophobicContact CG1-CG2 3.75Å
355	K	88.3	Confident	90.1	Very high	65 Å²	65	34.8 Å²	34.8	28%	0.283	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.1	172.5	-164.6	170.1	-67.8	-175.2	0	109.3	T273 L368 V369 V370	T273-K355 WeakPolarHBondContact O-CB 3.47Å; K355-L368 HydrophobicContact CD-CB 4.15Å; K355-L368 HydrophobicContact CG-CB 4.05Å; K355-V369 WeakPolarHBondContact CA-O 3.39Å; K355-V370 HydrophobicContact CG-CG2 4.35Å
356	L	86.9	Confident	89.6	Confident	31 Å²	31	37.8 Å²	37.8	16%	0.162	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.6	-174.2	-67.9	176.6	0	0	0	111	V354 L368 V369 T371 T409 R415	V354-L356 HydrophobicContact CG1-CD1 3.76Å; V354-L356 HydrophobicContact CG1-CD2 4.27Å; V354-L356 HydrophobicContact CG1-CG 3.81Å; V354-L356 HydrophobicContact CG2-CD2 3.9Å; V354-L356 HydrophobicContact CG2-CG 4.17Å; L356-L368 WeakPolarHBondContact O-CA 3.3Å; L356-V369 PolarHBondContact N-O 2.86Å; L356-V369 PolarHBondContact O-N 2.89Å; L356-T371 WeakPolarHBondContact CD1-OG1 3.3Å; L356-T409 HydrophobicContact CD1-CG2 4.08Å; L356-R415 VanDerWaalsContact CB-NH1 3.28Å
357	R	83.6	Confident	88.9	Confident	131 Å²	131	37.4 Å²	37.4	49%	0.494	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	134	168.6	-71.3	-179.9	174.7	174.4	-6.3	109.7	S367 L368	R357-S367 WeakPolarHBondContact CA-O 3.24Å; R357-L368 HydrophobicContact CB-CD2 4.45Å; R357-L368 HydrophobicContact CG-CD2 3.54Å
358	A	86.9	Confident	88.2	Confident	32 Å²	32	40.4 Å²	40.4	26%	0.264	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	136.8	175.9	0	0	0	0	0	109.2	E366 S367 V369 R415	A358-E366 CarbonylContact O-C 3.51Å; A358-E366 WeakPolarHBondContact O-CA 3.37Å; A358-S367 PolarHBondContact N-O 3.48Å; A358-S367 PolarHBondContact O-N 2.86Å; A358-V369 HydrophobicContact CB-CB 4.42Å; A358-V369 HydrophobicContact CB-CG2 3.89Å; A358-R415 CarbonylContact C-O 3.46Å; A358-R415 VanDerWaalsContact C-O 3.31Å; A358-R415 VanDerWaalsContact CA-O 3.32Å; A358-R415 WeakPolarHBondContact CA-O 3.41Å
359	Y	88.2	Confident	87.5	Confident	24 Å²	24	42.1 Å²	42.1	9%	0.094	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.4	177.4	179.4	-103.3	0	0	0	109.1	P361 A364 I365 E366 R415 N417 T446	Y359-P361 HydrophobicContact CD1-CB 4.33Å; Y359-P361 HydrophobicContact CE1-CB 3.94Å; Y359-P361 WeakPolarHBondContact O-CD 3.48Å; Y359-A364 WeakPolarHBondContact CE2-O 3.41Å; Y359-A364 WeakPolarHBondContact OH-CA 3.39Å; Y359-I365 WeakPolarHBondContact CA-O 3.45Å; Y359-E366 HydrophobicContact CD2-CB 4.11Å; Y359-R415 WeakPolarHBondContact CB-O 3.46Å; Y359-R415 PolarHBondContact N-O 3.25Å; Y359-N417 HydrophobicContact CD2-CB 3.96Å; Y359-N417 HydrophobicContact CE2-CB 4.04Å; Y359-N417 HydrophobicContact CG-CB 4.5Å; Y359-T446 HydrophobicContact CD1-CG2 3.76Å; Y359-T446 HydrophobicContact CE1-CG2 3.84Å
360	N	87	Confident	87.1	Confident	67 Å²	67	45 Å²	45	36%	0.358	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	108.8	173.1	-174.9	-22.6	0	0	0	109.2	R362 T363 A364 I365	N360-R362 PolarHBondContact O-N 3.05Å; N360-R362 WeakPolarHBondContact OD1-CB 3.44Å; N360-R362 PolarHBondContact OD1-N 3.41Å; N360-T363 WeakPolarHBondContact CB-OG1 3.44Å; N360-T363 PolarHBondContact O-N 2.72Å; N360-A364 VanDerWaalsContact O-CA 3.3Å; N360-A364 WeakPolarHBondContact O-CA 3.5Å; N360-A364 PolarHBondContact O-N 2.87Å; N360-I365 PolarHBondContact N-O 3.35Å; N360-I365 PolarHBondContact O-N 3Å
361	P	84.2	Confident	86.8	Confident	22 Å²	22	47.1 Å²	47.1	14%	0.143	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-11.5	-176.7	31.1	-37.3	0	0	0	113.6	Y359 Q445	Y359-P361 HydrophobicContact CD1-CB 4.33Å; Y359-P361 HydrophobicContact CE1-CB 3.94Å; Y359-P361 WeakPolarHBondContact O-CD 3.48Å; P361-Q445 HydrophobicContact CB-CB 4.39Å; P361-Q445 HydrophobicContact CB-CG 4.03Å; P361-Q445 HydrophobicContact CG-CB 4.42Å; P361-Q445 HydrophobicContact CG-CG 4.24Å
362	R	83.6	Confident	86.7	Confident	179 Å²	179	50.4 Å²	50.4	68%	0.675	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-49.5	173.7	-65.1	-177.6	-176.3	-167.4	1.6	110.9	N360 A364	N360-R362 PolarHBondContact O-N 3.05Å; N360-R362 WeakPolarHBondContact OD1-CB 3.44Å; N360-R362 PolarHBondContact OD1-N 3.41Å; R362-A364 VanDerWaalsContact C-N 3.35Å
363	T	82.3	Confident	86.7	Confident	26 Å²	26	50.2 Å²	50.2	16%	0.16	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.8	-178.6	63.3	0	0	0	0	113.3	N360 I365 D623 L625	N360-T363 WeakPolarHBondContact CB-OG1 3.44Å; N360-T363 PolarHBondContact O-N 2.72Å; T363-I365 PolarHBondContact O-N 2.66Å; T363-I365 VanDerWaalsContact O-N 3.16Å; T363-D623 WeakPolarHBondContact CA-OD2 3.38Å; T363-L625 HydrophobicContact CG2-CD2 4.21Å
364	A	80.9	Confident	86.6	Confident	26 Å²	26	47.1 Å²	47.1	22%	0.215	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	25.1	-173.3	0	0	0	0	0	114.2	Y359 N360 R362 Q449	Y359-A364 WeakPolarHBondContact CE2-O 3.41Å; Y359-A364 WeakPolarHBondContact OH-CA 3.39Å; N360-A364 VanDerWaalsContact O-CA 3.3Å; N360-A364 WeakPolarHBondContact O-CA 3.5Å; N360-A364 PolarHBondContact O-N 2.87Å; R362-A364 VanDerWaalsContact C-N 3.35Å; A364-Q449 HydrophobicContact CB-CG 4.38Å
365	I	80.4	Confident	86.6	Confident	13 Å²	13	49 Å²	49	7%	0.067	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.4	-178.2	-73.2	163.9	0	0	0	110.3	Y359 N360 T363 T620 L625 L627 V649	Y359-I365 WeakPolarHBondContact CA-O 3.45Å; N360-I365 PolarHBondContact N-O 3.35Å; N360-I365 PolarHBondContact O-N 3Å; T363-I365 PolarHBondContact O-N 2.66Å; T363-I365 VanDerWaalsContact O-N 3.16Å; I365-T620 HydrophobicContact CD1-CG2 4.36Å; I365-L625 HydrophobicContact CD1-CD2 3.27Å; I365-L627 HydrophobicContact CD1-CD2 4.37Å; I365-V649 HydrophobicContact CD1-CG2 4.37Å; I365-V649 HydrophobicContact CG1-CG2 4.24Å; I365-V649 HydrophobicContact CG2-CB 3.64Å; I365-V649 HydrophobicContact CG2-CG1 4Å; I365-V649 HydrophobicContact CG2-CG2 3.98Å
366	E	82.4	Confident	86.7	Confident	67 Å²	67	47.5 Å²	47.5	31%	0.313	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	127.9	164.9	-168.9	172.1	178.1	0	0	108.8	A358 Y359	A358-E366 CarbonylContact O-C 3.51Å; A358-E366 WeakPolarHBondContact O-CA 3.37Å; Y359-E366 HydrophobicContact CD2-CB 4.11Å
367	S	79.8	Confident	86.9	Confident	12 Å²	12	46.2 Å²	46.2	8%	0.084	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	161.3	178.1	68.9	0	0	0	0	111.8	R357 A358 V369 V649	R357-S367 WeakPolarHBondContact CA-O 3.24Å; A358-S367 PolarHBondContact N-O 3.48Å; A358-S367 PolarHBondContact O-N 2.86Å; S367-V369 WeakPolarHBondContact OG-CG2 3.27Å; S367-V649 WeakPolarHBondContact CA-O 3.13Å
368	L	81.1	Confident	87.4	Confident	67 Å²	67	40 Å²	40	35%	0.351	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	118.9	169.9	-73.4	170.6	0	0	0	109.2	K355 L356 R357	K355-L368 HydrophobicContact CD-CB 4.15Å; K355-L368 HydrophobicContact CG-CB 4.05Å; L356-L368 WeakPolarHBondContact O-CA 3.3Å; R357-L368 HydrophobicContact CB-CD2 4.45Å; R357-L368 HydrophobicContact CG-CD2 3.54Å
369	V	84.3	Confident	87.6	Confident	37 Å²	37	41.5 Å²	41.5	22%	0.224	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.7	-175.9	-174	0	0	0	0	109.8	K355 L356 A358 S367 T371	K355-V369 WeakPolarHBondContact CA-O 3.39Å; L356-V369 PolarHBondContact N-O 2.86Å; L356-V369 PolarHBondContact O-N 2.89Å; A358-V369 HydrophobicContact CB-CB 4.42Å; A358-V369 HydrophobicContact CB-CG2 3.89Å; S367-V369 WeakPolarHBondContact OG-CG2 3.27Å; V369-T371 HydrophobicContact CB-CG2 4.5Å; V369-T371 HydrophobicContact CG1-CG2 4.17Å
370	V	88.8	Confident	87.6	Confident	61 Å²	61	41.9 Å²	41.9	37%	0.37	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123.1	171	-179.9	0	0	0	0	108.6	T273 F353 V354 K355	T273-V370 HydrophobicContact CG2-CG1 3.9Å; F353-V370 HydrophobicContact CB-CG1 3.95Å; F353-V370 HydrophobicContact CD1-CG1 4.12Å; F353-V370 HydrophobicContact CG-CG1 4.25Å; V354-V370 WeakPolarHBondContact O-CA 3.23Å; K355-V370 HydrophobicContact CG-CG2 4.35Å
371	T	91.7	Very high	87.9	Confident	43 Å²	43	38.7 Å²	38.7	26%	0.264	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	155.5	179.1	65.2	0	0	0	0	110.4	F353 V354 L356 V369	F353-T371 WeakPolarHBondContact CA-O 3.31Å; V354-T371 PolarHBondContact N-O 3.3Å; V354-T371 PolarHBondContact O-N 2.98Å; V354-T371 VanDerWaalsContact O-O 3.13Å; L356-T371 WeakPolarHBondContact CD1-OG1 3.3Å; V369-T371 HydrophobicContact CB-CG2 4.5Å; V369-T371 HydrophobicContact CG1-CG2 4.17Å
372	P	95.2	Very high	88.3	Confident	72 Å²	72	38 Å²	38	47%	0.468	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	150.6	166.5	-22.8	33.5	0	0	0	111.6	A352 F353 L405	A352-P372 CarbonylContact O-C 3.58Å; A352-P372 VanDerWaalsContact O-CA 3.3Å; A352-P372 WeakPolarHBondContact O-CA 3.33Å; F353-P372 HydrophobicContact CD1-CG 4.46Å; F353-P372 HydrophobicContact CE1-CG 4.12Å; P372-L405 HydrophobicContact CB-CD2 3.86Å
373	I	95.8	Very high	88.6	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.01	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-76.5	169.3	172.8	65.6	-179.5	0	0	0	111.2	D350 A352 V354 A378 L405	D350-I373 WeakPolarHBondContact OD2-CD1 3.49Å; A352-I373 HydrophobicContact CB-CG1 4.5Å; A352-I373 WeakPolarHBondContact O-CG1 3.15Å; A352-I373 PolarHBondContact O-N 2.99Å; V354-I373 HydrophobicContact CB-CG2 3.88Å; V354-I373 HydrophobicContact CG1-CG2 3.75Å; I373-A378 HydrophobicContact CD1-CB 3.66Å; I373-A378 HydrophobicContact CG1-CB 4.34Å; I373-L405 HydrophobicContact CG1-CD1 4.11Å; I373-L405 WeakPolarHBondContact O-CD2 3.32Å
374	S	94.2	Very high	88.9	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.014	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-88.7	161.9	168.8	57.7	0	0	0	0	111.9	A376 S377 A378 P406 T409	S374-A376 PolarHBondContact O-N 3.1Å; S374-S377 WeakPolarHBondContact O-CB 3.42Å; S374-S377 PolarHBondContact O-N 2.99Å; S374-S377 VanDerWaalsContact O-N 3.09Å; S374-S377 WeakPolarHBondContact OG-CB 3.49Å; S374-S377 PolarHBondContact OG-N 3.38Å; S374-A378 PolarHBondContact O-N 3.03Å; S374-P406 CarbonylContact C-O 3.52Å; S374-P406 WeakPolarHBondContact CA-O 3.37Å; S374-P406 VanDerWaalsContact CB-O 3.23Å; S374-P406 WeakPolarHBondContact CB-O 3.3Å; S374-T409 PolarHBondContact OG-N 3.29Å; S374-T409 PolarHBondContact OG-OG1 2.89Å
375	K	93.8	Very high	89.4	Confident	50 Å²	50	28.6 Å²	28.6	22%	0.217	17%	0.172	C	C	.	.	H	α-helix	trans	-54.8	-42.1	170.4	-65.8	-172.3	179.1	-179.6	0	111.1	S377 A378 S379 Y402 E403 L405 P406	K375-S377 PolarHBondContact O-N 3.43Å; K375-A378 PolarHBondContact O-N 3.31Å; K375-S379 PolarHBondContact O-N 3.3Å; K375-S379 PolarHBondContact O-OG 2.93Å; K375-Y402 HydrophobicContact CB-CE2 4.28Å; K375-Y402 HydrophobicContact CD-CE1 4.46Å; K375-Y402 WeakPolarHBondContact CE-O 3.46Å; K375-Y402 HydrophobicContact CG-CE2 4.03Å; K375-E403 VanDerWaalsContact CE-O 3.24Å; K375-E403 WeakPolarHBondContact CE-O 3.34Å; K375-E403 PolarHBondContact NZ-O 3.39Å; K375-E403 IonicContact NZ-OE2 2.9Å; K375-E403 PolarHBondContact NZ-OE2 3.36Å; K375-L405 WeakPolarHBondContact CE-O 3.46Å; K375-L405 HydrophobicContact CG-CB 3.94Å; K375-P406 PolarHBondContact N-O 3.41Å
376	A	89	Confident	89.7	Confident	33 Å²	33	28 Å²	28	27%	0.273	17%	0.169	S	C	.	.	H	α-helix	trans	-57.4	-45.1	174.6	0	0	0	0	0	112.9	S374 S379 Q380 A407	S374-A376 PolarHBondContact O-N 3.1Å; A376-S379 PolarHBondContact O-N 3.06Å; A376-Q380 WeakPolarHBondContact O-CG 3.38Å; A376-Q380 PolarHBondContact O-N 2.83Å; A376-A407 WeakPolarHBondContact CB-O 3.19Å; A376-A407 PolarHBondContact N-O 2.93Å; A376-A407 VanDerWaalsContact N-O 3.12Å
377	S	91.1	Very high	89.6	Confident	5 Å²	5	27 Å²	27	4%	0.035	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-44.2	176.1	178.5	0	0	0	0	111.7	E337 S374 K375 S379 Q380 R381	E337-S377 WeakPolarHBondContact OE1-CA 3.38Å; E337-S377 WeakPolarHBondContact OE1-CB 3.49Å; E337-S377 PolarHBondContact OE1-OG 3.15Å; E337-S377 PolarHBondContact OE2-OG 3.42Å; S374-S377 WeakPolarHBondContact O-CB 3.42Å; S374-S377 PolarHBondContact O-N 2.99Å; S374-S377 VanDerWaalsContact O-N 3.09Å; S374-S377 WeakPolarHBondContact OG-CB 3.49Å; S374-S377 PolarHBondContact OG-N 3.38Å; K375-S377 PolarHBondContact O-N 3.43Å; S377-S379 VanDerWaalsContact C-N 3.31Å; S377-S379 PolarHBondContact O-N 2.92Å; S377-Q380 PolarHBondContact O-N 3.37Å; S377-Q380 VanDerWaalsContact O-N 3.12Å; S377-R381 WeakPolarHBondContact O-CG 3.45Å; S377-R381 PolarHBondContact O-N 3.1Å
378	A	94.3	Very high	89.5	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-39.7	176.5	0	0	0	0	0	112.2	I373 S374 K375 A382 Y402	I373-A378 HydrophobicContact CD1-CB 3.66Å; I373-A378 HydrophobicContact CG1-CB 4.34Å; S374-A378 PolarHBondContact O-N 3.03Å; K375-A378 PolarHBondContact O-N 3.31Å; A378-A382 WeakPolarHBondContact O-CB 3.39Å; A378-A382 PolarHBondContact O-N 2.88Å; A378-Y402 HydrophobicContact CB-CD2 4.42Å; A378-Y402 HydrophobicContact CB-CE2 3.95Å
379	S	90.8	Very high	89.7	Confident	63 Å²	63	31.9 Å²	31.9	44%	0.441	18%	0.18	S	C	.	.	H	α-helix	trans	-66.1	-40.9	173.8	-63.1	0	0	0	0	112.1	K375 A376 S377 A382 G383	K375-S379 PolarHBondContact O-N 3.3Å; K375-S379 PolarHBondContact O-OG 2.93Å; A376-S379 PolarHBondContact O-N 3.06Å; S377-S379 VanDerWaalsContact C-N 3.31Å; S377-S379 PolarHBondContact O-N 2.92Å; S379-A382 PolarHBondContact O-N 2.82Å; S379-G383 PolarHBondContact O-N 3.14Å
380	Q	88.3	Confident	90	Very high	32 Å²	32	33.6 Å²	33.6	15%	0.15	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-40.2	176.6	-73.7	-178.1	-7.6	0	0	112.6	H170 E337 A376 S377 G383 R384	H170-Q380 PolarHBondContact CD2-NE2 2.9Å; E337-Q380 HydrophobicContact CG-CB 4.19Å; A376-Q380 WeakPolarHBondContact O-CG 3.38Å; A376-Q380 PolarHBondContact O-N 2.83Å; S377-Q380 PolarHBondContact O-N 3.37Å; S377-Q380 VanDerWaalsContact O-N 3.12Å; Q380-G383 PolarHBondContact O-N 3.02Å; Q380-R384 WeakPolarHBondContact O-CG 3.26Å; Q380-R384 PolarHBondContact O-N 2.95Å
381	R	93.1	Very high	90.3	Very high	1 Å²	1	31 Å²	31	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-50.8	173.7	-70.2	-179.9	-178.1	-163.3	-2.3	110.7	F271 E337 D350 F353 S377 G383 R384	F271-R381 HydrophobicContact CD1-CG 4.28Å; F271-R381 HydrophobicContact CD2-CB 3.95Å; F271-R381 HydrophobicContact CD2-CG 3.8Å; F271-R381 HydrophobicContact CE1-CG 4.14Å; F271-R381 HydrophobicContact CE2-CB 3.66Å; F271-R381 HydrophobicContact CE2-CG 3.65Å; F271-R381 HydrophobicContact CG-CG 4.11Å; F271-R381 HydrophobicContact CZ-CB 4.21Å; F271-R381 HydrophobicContact CZ-CG 3.83Å; E337-R381 HydrophobicContact CG-CG 4.12Å; E337-R381 IonicContact OE2-NE 2.96Å; E337-R381 IonicContact OE2-NH2 3.62Å; D350-R381 VanDerWaalsContact OD1-CD 3.3Å; D350-R381 WeakPolarHBondContact OD1-CD 3.34Å; D350-R381 IonicContact OD1-CZ 2.67Å; D350-R381 IonicContact OD1-NE 2.76Å; D350-R381 IonicContact OD1-NH1 3.54Å; D350-R381 PolarHBondContact OD1-NH1 3.37Å; F353-R381 PolarHBondContact O-NH1 3.18Å; F353-R381 PolarHBondContact O-NH2 2.77Å; S377-R381 WeakPolarHBondContact O-CG 3.45Å; S377-R381 PolarHBondContact O-N 3.1Å; R381-G383 VanDerWaalsContact C-N 3.32Å; R381-G383 PolarHBondContact O-N 2.94Å; R381-R384 VanDerWaalsContact O-CB 3.28Å; R381-R384 WeakPolarHBondContact O-CB 3.4Å; R381-R384 WeakPolarHBondContact O-CG 3.43Å; R381-R384 PolarHBondContact O-N 2.88Å; R381-R384 VanDerWaalsContact O-N 3.08Å
382	A	93.1	Very high	90.6	Very high	6 Å²	6	31.3 Å²	31.3	5%	0.05	18%	0.175	C	C	.	.	H	α-helix	trans	-59.1	-42.6	177.3	0	0	0	0	0	112.3	I238 A378 S379 R384 A385 C393	I238-A382 HydrophobicContact CD1-CB 3.79Å; A378-A382 WeakPolarHBondContact O-CB 3.39Å; A378-A382 PolarHBondContact O-N 2.88Å; S379-A382 PolarHBondContact O-N 2.82Å; A382-R384 PolarHBondContact O-N 3.33Å; A382-A385 WeakPolarHBondContact O-CB 3.47Å; A382-A385 PolarHBondContact O-N 3.36Å; A382-C393 HydrophobicContact CB-CB 3.91Å
383	G	89.4	Confident	90.7	Very high	24 Å²	24	27.9 Å²	27.9	25%	0.247	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.5	177	0	0	0	0	0	114.5	S379 Q380 R381 A385 G386	S379-G383 PolarHBondContact O-N 3.14Å; Q380-G383 PolarHBondContact O-N 3.02Å; R381-G383 VanDerWaalsContact C-N 3.32Å; R381-G383 PolarHBondContact O-N 2.94Å; G383-A385 VanDerWaalsContact C-N 3.3Å; G383-A385 PolarHBondContact O-N 3.34Å; G383-G386 PolarHBondContact O-N 3.22Å
384	R	89.5	Confident	90.9	Very high	11 Å²	11	29.4 Å²	29.4	4%	0.042	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-26.3	173.7	-57.8	-41.7	-172.8	132.3	-26.7	113.4	T70 L269 F271 A336 E337 T338 I340 V348 Q380 R381 A382 R387	T70-R384 PolarHBondContact OG1-NH2 2.86Å; L269-R384 HydrophobicContact CD2-CB 3.98Å; L269-R384 HydrophobicContact CD2-CG 4.17Å; F271-R384 HydrophobicContact CZ-CG 4.27Å; A336-R384 PolarHBondContact O-NE 3.03Å; A336-R384 PolarHBondContact O-NH1 3.47Å; E337-R384 VanDerWaalsContact C-CZ 3.44Å; E337-R384 PolarHBondContact O-NE 2.85Å; E337-R384 PolarHBondContact O-NH2 3.44Å; T338-R384 VanDerWaalsContact N-NH2 3.13Å; T338-R384 PolarHBondContact O-NH2 3.26Å; I340-R384 PolarHBondContact O-NH1 2.9Å; V348-R384 HydrophobicContact CG2-CB 3.94Å; Q380-R384 WeakPolarHBondContact O-CG 3.26Å; Q380-R384 PolarHBondContact O-N 2.95Å; R381-R384 VanDerWaalsContact O-CB 3.28Å; R381-R384 WeakPolarHBondContact O-CB 3.4Å; R381-R384 WeakPolarHBondContact O-CG 3.43Å; R381-R384 PolarHBondContact O-N 2.88Å; R381-R384 VanDerWaalsContact O-N 3.08Å; A382-R384 PolarHBondContact O-N 3.33Å; R384-R387 VanDerWaalsContact CZ-CZ 3.49Å; R384-R387 VanDerWaalsContact NH2-NH2 3.11Å
385	A	91.3	Very high	91.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-30.8	174.5	0	0	0	0	0	112.8	V236 M346 V348 A382 G383 R387	V236-A385 HydrophobicContact CG1-CB 3.93Å; V236-A385 HydrophobicContact CG2-CB 4.14Å; M346-A385 WeakPolarHBondContact O-CB 3.46Å; V348-A385 HydrophobicContact CB-CB 4.48Å; V348-A385 HydrophobicContact CG2-CB 3.86Å; A382-A385 WeakPolarHBondContact O-CB 3.47Å; A382-A385 PolarHBondContact O-N 3.36Å; G383-A385 VanDerWaalsContact C-N 3.3Å; G383-A385 PolarHBondContact O-N 3.34Å; A385-R387 PolarHBondContact O-N 2.99Å
386	G	86.1	Confident	91.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	12.9	-170.5	0	0	0	0	0	115.8	T233 F234 V236 G383	T233-G386 WeakPolarHBondContact CA-O 3.36Å; F234-G386 PolarHBondContact N-O 3.46Å; V236-G386 VanDerWaalsContact CG2-CA 3.47Å; G383-G386 PolarHBondContact O-N 3.22Å
387	R	81.1	Confident	91.6	Very high	46 Å²	46	26.9 Å²	26.9	17%	0.174	14%	0.142	C	C	.	.	S	Bend	trans	-82.2	-31.9	-170.2	-71.5	-174.1	168.6	-166.7	-5.6	115.3	T70 T341 R384 A385	T70-R387 PolarHBondContact O-NH2 3.36Å; T70-R387 PolarHBondContact OG1-NH2 3.08Å; T341-R387 VanDerWaalsContact CB-NH1 3.26Å; T341-R387 PolarHBondContact OG1-NH1 2.95Å; R384-R387 VanDerWaalsContact CZ-CZ 3.49Å; R384-R387 VanDerWaalsContact NH2-NH2 3.11Å; A385-R387 PolarHBondContact O-N 2.99Å
388	N	77.5	Confident	92	Very high	77 Å²	77	27.3 Å²	27.3	41%	0.412	15%	0.145	S	C	.	.	S	Bend	trans	-109	-35.2	-172.8	-74.4	54.1	0	0	0	112.1	F234	F234-N388 VanDerWaalsContact CE2-C 3.43Å; F234-N388 WeakPolarHBondContact CE2-O 3.42Å
389	R	84.9	Confident	92.1	Very high	104 Å²	104	32.9 Å²	32.9	39%	0.392	17%	0.171	S	C	.	.	S	Bend	trans	-166.9	175	-179.3	65	-173.4	160.9	151.2	4.9	108.3	F234 D265 M346	F234-R389 WeakPolarHBondContact CB-O 3.48Å; F234-R389 VanDerWaalsContact CD2-CA 3.48Å; F234-R389 VanDerWaalsContact CG-CA 3.49Å; D265-R389 PolarHBondContact O-NH2 3.08Å; M346-R389 HydrophobicContact CE-CG 4.24Å; M346-R389 VanDerWaalsContact SD-CD 3.53Å; M346-R389 HydrophobicContact SD-CG 3.2Å; M346-R389 WeakPolarHBondContact SD-CG 3.42Å; M346-R389 VanDerWaalsContact SD-CZ 3.52Å; M346-R389 PolarHBondContact SD-NE 2.92Å
390	P	92.1	Very high	92.4	Very high	74 Å²	74	36 Å²	36	48%	0.481	18%	0.178	S	C	.	.			trans	-55.4	140.9	177.6	-25.7	35.8	0	0	0	111.7	F234 P235	F234-P390 HydrophobicContact CB-CG 4.25Å; F234-P390 HydrophobicContact CD1-CG 4.24Å; P235-P390 HydrophobicContact CG-CB 4.31Å; P235-P390 HydrophobicContact CG-CG 4.34Å; P235-P390 WeakPolarHBondContact O-CA 3.16Å
391	G	94.9	Very high	92.7	Very high	5 Å²	5	37 Å²	37	5%	0.052	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	-178	-173.8	0	0	0	0	0	113.2	P235 V236 D237 M346	P235-G391 PolarHBondContact O-N 3.48Å; V236-G391 VanDerWaalsContact CA-O 3.29Å; V236-G391 WeakPolarHBondContact CA-O 3.39Å; D237-G391 PolarHBondContact N-O 2.87Å; M346-G391 CarbonylContact O-C 3.35Å; M346-G391 VanDerWaalsContact O-CA 3.22Å; M346-G391 WeakPolarHBondContact O-CA 3.46Å
392	K	97.3	Very high	92.9	Very high	50 Å²	50	38.6 Å²	38.6	22%	0.217	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.9	-178.9	-58.9	-179.8	172.9	167.5	0	111.1	D237 F239 E263 M346 F347 V348 F394	D237-K392 HydrophobicContact CB-CG 4.32Å; D237-K392 CarbonylContact O-C 3.54Å; D237-K392 WeakPolarHBondContact O-CA 3.32Å; F239-K392 HydrophobicContact CD2-CB 4.35Å; F239-K392 HydrophobicContact CE2-CB 3.91Å; F239-K392 HydrophobicContact CE2-CD 3.81Å; F239-K392 HydrophobicContact CE2-CG 3.87Å; F239-K392 HydrophobicContact CZ-CD 4.27Å; E263-K392 IonicContact OE1-NZ 3.55Å; E263-K392 PolarHBondContact OE1-NZ 3.16Å; E263-K392 IonicContact OE2-NZ 3.54Å; E263-K392 PolarHBondContact OE2-NZ 3.16Å; M346-K392 PolarHBondContact O-N 3.48Å; F347-K392 CarbonylContact C-O 3.55Å; F347-K392 WeakPolarHBondContact CA-O 3.39Å; F347-K392 HydrophobicContact CD1-CB 4.13Å; F347-K392 HydrophobicContact CE1-CD 4.26Å; V348-K392 PolarHBondContact N-O 3.1Å; K392-F394 HydrophobicContact CB-CE2 3.87Å; K392-F394 HydrophobicContact CB-CZ 4.12Å; K392-F394 HydrophobicContact CD-CZ 4.12Å
393	C	97.9	Very high	93	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.4	173.8	-176.9	0	0	0	0	110	V236 D237 I238 F239 V348 A382	V236-C393 HydrophobicContact CG1-CB 3.92Å; D237-C393 PolarHBondContact O-N 2.84Å; I238-C393 HydrophobicContact CD1-CB 3.7Å; F239-C393 PolarHBondContact N-O 2.84Å; V348-C393 HydrophobicContact CB-CB 4.37Å; V348-C393 CarbonylContact O-C 3.56Å; V348-C393 WeakPolarHBondContact O-CA 3.44Å; A382-C393 HydrophobicContact CB-CB 3.91Å
394	F	98.3	Very high	93.4	Very high	35 Å²	35	48.8 Å²	48.8	15%	0.154	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	104.9	177.8	-58.8	-87.4	0	0	0	109.5	F239 T255 I259 F347 V348 I349 D350 K392	F239-F394 HydrophobicContact CB-CD1 3.97Å; F239-F394 HydrophobicContact CB-CE1 4.43Å; F239-F394 HydrophobicContact CD2-CD1 4.1Å; F239-F394 AromaticContact CD2-CE1 3.9Å; F239-F394 HydrophobicContact CD2-CE1 3.9Å; F239-F394 HydrophobicContact CD2-CZ 4.4Å; F239-F394 HydrophobicContact CE2-CE1 4.42Å; F239-F394 HydrophobicContact CG-CD1 4.17Å; F239-F394 HydrophobicContact CG-CE1 4.15Å; T255-F394 HydrophobicContact CG2-CB 4.05Å; T255-F394 HydrophobicContact CG2-CG 4.2Å; I259-F394 HydrophobicContact CD1-CD2 3.59Å; I259-F394 HydrophobicContact CD1-CE2 3.54Å; I259-F394 HydrophobicContact CD1-CG 4.41Å; I259-F394 HydrophobicContact CD1-CZ 4.33Å; I259-F394 HydrophobicContact CG1-CD2 4.24Å; I259-F394 HydrophobicContact CG1-CE2 3.73Å; I259-F394 HydrophobicContact CG1-CZ 4.08Å; F347-F394 HydrophobicContact CB-CE2 4.49Å; F347-F394 HydrophobicContact CD1-CE2 4.14Å; V348-F394 PolarHBondContact O-N 2.86Å; I349-F394 WeakPolarHBondContact CA-O 3.46Å; D350-F394 PolarHBondContact N-O 3.49Å; K392-F394 HydrophobicContact CB-CE2 3.87Å; K392-F394 HydrophobicContact CB-CZ 4.12Å; K392-F394 HydrophobicContact CD-CZ 4.12Å
395	R	98.3	Very high	93.7	Very high	8 Å²	8	49.2 Å²	49.2	3%	0.03	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.7	176.7	-69.9	177	169.9	-177.3	-6.3	108.9	I238 F239 Y240 T241 D350 Y397	I238-R395 HydrophobicContact CG2-CG 4.39Å; F239-R395 WeakPolarHBondContact O-CB 3.42Å; F239-R395 PolarHBondContact O-N 2.98Å; Y240-R395 HydrophobicContact CD1-CB 3.92Å; Y240-R395 HydrophobicContact CD1-CG 4.45Å; Y240-R395 HydrophobicContact CE1-CB 4.35Å; Y240-R395 HydrophobicContact CE1-CG 4.4Å; Y240-R395 PolarHBondContact OH-NH1 2.87Å; T241-R395 PolarHBondContact N-O 2.85Å; D350-R395 HydrophobicContact CB-CG 4.39Å; R395-Y397 HydrophobicContact CB-CD1 3.85Å; R395-Y397 HydrophobicContact CB-CD2 4.33Å; R395-Y397 HydrophobicContact CB-CE1 3.5Å; R395-Y397 HydrophobicContact CB-CE2 4.04Å; R395-Y397 HydrophobicContact CB-CG 4.27Å; R395-Y397 VanDerWaalsContact CD-OH 3.27Å; R395-Y397 WeakPolarHBondContact CD-OH 3.15Å; R395-Y397 HydrophobicContact CG-CE1 3.76Å; R395-Y397 HydrophobicContact CG-CE2 4.18Å; R395-Y397 WeakPolarHBondContact CG-OH 3.33Å; R395-Y397 PolarHBondContact NE-OH 2.87Å; R395-Y397 PolarHBondContact O-N 2.86Å
396	L	97.7	Very high	93.8	Very high	12 Å²	12	52.6 Å²	52.6	6%	0.063	25%	0.254	C	S	.	.	S	Bend	trans	-80.2	32.4	-179.1	-56.2	-177.6	0	0	0	112.6	V245 A251 T252 I349 D350	V245-L396 HydrophobicContact CG2-CB 4.49Å; V245-L396 WeakPolarHBondContact CG2-O 3.33Å; A251-L396 HydrophobicContact CB-CD1 4.25Å; A251-L396 HydrophobicContact CB-CD2 4.45Å; T252-L396 WeakPolarHBondContact OG1-CD1 3.4Å; I349-L396 HydrophobicContact CG2-CD1 3.77Å; I349-L396 HydrophobicContact CG2-CD2 4.08Å; I349-L396 HydrophobicContact CG2-CG 3.87Å; D350-L396 PolarHBondContact O-N 2.91Å
397	Y	97.6	Very high	94	Very high	12 Å²	12	56.4 Å²	56.4	5%	0.047	29%	0.285	C	S	.	.	S	Bend	trans	-148.8	159.9	-176.2	51.1	-83.5	0	0	0	109.1	Y240 T241 D350 A352 R395 Y402 L405	Y240-Y397 WeakPolarHBondContact CB-O 3.29Å; Y240-Y397 HydrophobicContact CE1-CE2 4.43Å; T241-Y397 PolarHBondContact N-O 2.88Å; T241-Y397 VanDerWaalsContact N-O 3.12Å; T241-Y397 VanDerWaalsContact OG1-C 3.22Å; T241-Y397 WeakPolarHBondContact OG1-CA 3.35Å; T241-Y397 PolarHBondContact OG1-N 2.98Å; T241-Y397 PolarHBondContact OG1-O 2.81Å; D350-Y397 HydrophobicContact CB-CE1 4.31Å; D350-Y397 WeakPolarHBondContact O-CE1 3.25Å; D350-Y397 PolarHBondContact OD2-OH 2.87Å; A352-Y397 HydrophobicContact CB-CD1 3.21Å; A352-Y397 HydrophobicContact CB-CD2 4.28Å; A352-Y397 HydrophobicContact CB-CE1 3.28Å; A352-Y397 HydrophobicContact CB-CE2 4.31Å; A352-Y397 HydrophobicContact CB-CG 3.74Å; R395-Y397 HydrophobicContact CB-CD1 3.85Å; R395-Y397 HydrophobicContact CB-CD2 4.33Å; R395-Y397 HydrophobicContact CB-CE1 3.5Å; R395-Y397 HydrophobicContact CB-CE2 4.04Å; R395-Y397 HydrophobicContact CB-CG 4.27Å; R395-Y397 VanDerWaalsContact CD-OH 3.27Å; R395-Y397 WeakPolarHBondContact CD-OH 3.15Å; R395-Y397 HydrophobicContact CG-CE1 3.76Å; R395-Y397 HydrophobicContact CG-CE2 4.18Å; R395-Y397 WeakPolarHBondContact CG-OH 3.33Å; R395-Y397 PolarHBondContact NE-OH 2.87Å; R395-Y397 PolarHBondContact O-N 2.86Å; Y397-Y402 HydrophobicContact CE2-CD2 4.05Å; Y397-Y402 HydrophobicContact CE2-CG 4.4Å; Y397-L405 HydrophobicContact CE2-CD1 4.35Å
398	T	97.6	Very high	94.4	Very high	14 Å²	14	56.8 Å²	56.8	9%	0.086	30%	0.298	C	S	.	.			trans	-74.3	159.1	-177.8	70	0	0	0	0	111.3	T241 P244 E400 D401 Y402	T241-T398 WeakPolarHBondContact O-CA 3.4Å; P244-T398 HydrophobicContact CG-CG2 4.24Å; T398-E400 PolarHBondContact O-N 2.94Å; T398-D401 PolarHBondContact O-N 3.23Å; T398-D401 WeakPolarHBondContact OG1-CB 3.48Å; T398-D401 PolarHBondContact OG1-N 3.35Å; T398-D401 PolarHBondContact OG1-OD2 2.81Å; T398-Y402 PolarHBondContact O-N 2.61Å
399	E	97	Very high	94.9	Very high	116 Å²	116	56 Å²	56	54%	0.542	30%	0.297	S	S	.	.	H	α-helix	trans	-62.8	-34.6	172.4	-173.3	168.6	-143.5	0	0	111.5	Y240 D401 Y402 E403	Y240-E399 HydrophobicContact CD1-CB 4.18Å; Y240-E399 HydrophobicContact CD2-CB 3.87Å; Y240-E399 HydrophobicContact CD2-CG 4.2Å; Y240-E399 HydrophobicContact CE1-CB 4.4Å; Y240-E399 HydrophobicContact CE2-CB 4.1Å; Y240-E399 HydrophobicContact CE2-CG 3.93Å; Y240-E399 HydrophobicContact CG-CB 3.9Å; E399-D401 VanDerWaalsContact C-N 3.34Å; E399-D401 PolarHBondContact O-N 2.83Å; E399-Y402 WeakPolarHBondContact O-CB 3.46Å; E399-Y402 PolarHBondContact O-N 3.42Å; E399-E403 PolarHBondContact O-N 3.48Å
400	E	96.5	Very high	95.2	Very high	130 Å²	130	54.9 Å²	54.9	61%	0.607	30%	0.301	S	S	*	.	H	α-helix	trans	-61.7	-42.1	174.6	-165.3	-165.3	148.2	0	0	111.8	T398 Y402 E403 K404	T398-E400 PolarHBondContact O-N 2.94Å; E400-Y402 VanDerWaalsContact C-N 3.35Å; E400-E403 PolarHBondContact O-N 3.17Å; E400-K404 WeakPolarHBondContact O-CG 3.25Å; E400-K404 PolarHBondContact O-N 2.99Å; E400-K404 VanDerWaalsContact OE1-CE 3.28Å; E400-K404 WeakPolarHBondContact OE1-CE 3.26Å; E400-K404 IonicContact OE1-NZ 2.68Å; E400-K404 PolarHBondContact OE1-NZ 2.65Å
401	D	96	Very high	95.1	Very high	53 Å²	53	52 Å²	52	28%	0.283	28%	0.282	S	S	.	.	H	α-helix	trans	-67.8	-36	176.7	-65.3	-41	0	0	0	111.9	T398 E399 E403 K404 L405	T398-D401 PolarHBondContact O-N 3.23Å; T398-D401 WeakPolarHBondContact OG1-CB 3.48Å; T398-D401 PolarHBondContact OG1-N 3.35Å; T398-D401 PolarHBondContact OG1-OD2 2.81Å; E399-D401 VanDerWaalsContact C-N 3.34Å; E399-D401 PolarHBondContact O-N 2.83Å; D401-E403 VanDerWaalsContact C-N 3.3Å; D401-E403 PolarHBondContact O-N 2.7Å; D401-K404 PolarHBondContact O-N 2.72Å; D401-K404 IonicContact OD1-NZ 2.72Å; D401-L405 WeakPolarHBondContact O-CG 3.44Å; D401-L405 PolarHBondContact O-N 2.69Å
402	Y	96.6	Very high	95	Very high	33 Å²	33	53.6 Å²	53.6	13%	0.129	29%	0.288	C	S	.	.	H	α-helix	trans	-58.1	-43.9	172.2	174.5	-105.3	0	0	0	111.4	Y240 K375 A378 Y397 T398 E399 E400 K404 L405	Y240-Y402 HydrophobicContact CE1-CD1 4.47Å; Y240-Y402 HydrophobicContact CE1-CG 4.02Å; K375-Y402 HydrophobicContact CB-CE2 4.28Å; K375-Y402 HydrophobicContact CD-CE1 4.46Å; K375-Y402 WeakPolarHBondContact CE-O 3.46Å; K375-Y402 HydrophobicContact CG-CE2 4.03Å; A378-Y402 HydrophobicContact CB-CD2 4.42Å; A378-Y402 HydrophobicContact CB-CE2 3.95Å; Y397-Y402 HydrophobicContact CE2-CD2 4.05Å; Y397-Y402 HydrophobicContact CE2-CG 4.4Å; T398-Y402 PolarHBondContact O-N 2.61Å; E399-Y402 WeakPolarHBondContact O-CB 3.46Å; E399-Y402 PolarHBondContact O-N 3.42Å; E400-Y402 VanDerWaalsContact C-N 3.35Å; Y402-K404 PolarHBondContact O-N 2.77Å; Y402-L405 HydrophobicContact CD2-CD1 3.99Å; Y402-L405 VanDerWaalsContact O-CB 3.3Å; Y402-L405 WeakPolarHBondContact O-CB 3.34Å; Y402-L405 WeakPolarHBondContact O-CG 3.27Å; Y402-L405 PolarHBondContact O-N 2.9Å
403	E	96.1	Very high	94.7	Very high	110 Å²	110	51.3 Å²	51.3	51%	0.514	28%	0.278	S	S	.	.	H	α-helix	trans	-65.7	-29.4	-178.6	-73	-53.2	142.8	0	0	113.3	K375 E399 E400 D401 L405	K375-E403 VanDerWaalsContact CE-O 3.24Å; K375-E403 WeakPolarHBondContact CE-O 3.34Å; K375-E403 PolarHBondContact NZ-O 3.39Å; K375-E403 IonicContact NZ-OE2 2.9Å; K375-E403 PolarHBondContact NZ-OE2 3.36Å; E399-E403 PolarHBondContact O-N 3.48Å; E400-E403 PolarHBondContact O-N 3.17Å; D401-E403 VanDerWaalsContact C-N 3.3Å; D401-E403 PolarHBondContact O-N 2.7Å; E403-L405 VanDerWaalsContact C-N 3.3Å; E403-L405 PolarHBondContact O-N 3.36Å
404	K	96.3	Very high	94.4	Very high	134 Å²	134	54.5 Å²	54.5	58%	0.583	29%	0.293	S	S	*	.	H	α-helix	trans	-74.8	-14.4	174.6	-65.8	168.8	-170.4	161.6	0	113.6	E400 D401 Y402	E400-K404 WeakPolarHBondContact O-CG 3.25Å; E400-K404 PolarHBondContact O-N 2.99Å; E400-K404 VanDerWaalsContact OE1-CE 3.28Å; E400-K404 WeakPolarHBondContact OE1-CE 3.26Å; E400-K404 IonicContact OE1-NZ 2.68Å; E400-K404 PolarHBondContact OE1-NZ 2.65Å; D401-K404 PolarHBondContact O-N 2.72Å; D401-K404 IonicContact OD1-NZ 2.72Å; Y402-K404 PolarHBondContact O-N 2.77Å
405	L	95.7	Very high	94	Very high	20 Å²	20	55.1 Å²	55.1	11%	0.105	30%	0.295	C	S	.	.	S	Bend	trans	-65	144.3	179.9	-62.5	-178.1	0	0	0	111.5	P372 I373 K375 Y397 D401 Y402 E403	P372-L405 HydrophobicContact CB-CD2 3.86Å; I373-L405 HydrophobicContact CG1-CD1 4.11Å; I373-L405 WeakPolarHBondContact O-CD2 3.32Å; K375-L405 WeakPolarHBondContact CE-O 3.46Å; K375-L405 HydrophobicContact CG-CB 3.94Å; Y397-L405 HydrophobicContact CE2-CD1 4.35Å; D401-L405 WeakPolarHBondContact O-CG 3.44Å; D401-L405 PolarHBondContact O-N 2.69Å; Y402-L405 HydrophobicContact CD2-CD1 3.99Å; Y402-L405 VanDerWaalsContact O-CB 3.3Å; Y402-L405 WeakPolarHBondContact O-CB 3.34Å; Y402-L405 WeakPolarHBondContact O-CG 3.27Å; Y402-L405 PolarHBondContact O-N 2.9Å; E403-L405 VanDerWaalsContact C-N 3.3Å; E403-L405 PolarHBondContact O-N 3.36Å
406	P	94.1	Very high	93.7	Very high	72 Å²	72	54.9 Å²	54.9	47%	0.468	29%	0.294	S	S	.	.			trans	-63.8	146.9	175.3	27.4	-34.1	0	0	0	110.6	S374 K375 A408	S374-P406 CarbonylContact C-O 3.52Å; S374-P406 WeakPolarHBondContact CA-O 3.37Å; S374-P406 VanDerWaalsContact CB-O 3.23Å; S374-P406 WeakPolarHBondContact CB-O 3.3Å; K375-P406 PolarHBondContact N-O 3.41Å; P406-A408 VanDerWaalsContact C-N 3.31Å; P406-A408 PolarHBondContact O-N 3.42Å
407	A	90.4	Very high	93.3	Very high	79 Å²	79	55.6 Å²	55.6	65%	0.653	30%	0.298	S	S	*	.	S	Bend	trans	-60.3	-40.2	-178.1	0	0	0	0	0	112.9	A376	A376-A407 WeakPolarHBondContact CB-O 3.19Å; A376-A407 PolarHBondContact N-O 2.93Å; A376-A407 VanDerWaalsContact N-O 3.12Å
408	A	88.6	Confident	93.1	Very high	54 Å²	54	55.2 Å²	55.2	45%	0.446	30%	0.297	S	S	.	.	S	Bend	trans	-138.7	156	-179.6	0	0	0	0	0	111.2	P406	P406-A408 VanDerWaalsContact C-N 3.31Å; P406-A408 PolarHBondContact O-N 3.42Å
409	T	89.1	Confident	92.9	Very high	62 Å²	62	54.5 Å²	54.5	38%	0.38	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-70.8	137.6	176.1	-53.3	0	0	0	0	109.9	L356 S374	L356-T409 HydrophobicContact CD1-CG2 4.08Å; S374-T409 PolarHBondContact OG-N 3.29Å; S374-T409 PolarHBondContact OG-OG1 2.89Å
410	V	90.8	Very high	92.7	Very high	79 Å²	79	50.2 Å²	50.2	48%	0.479	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-61.1	130.2	176.3	-179.9	0	0	0	0	109.8	Q414 R415	V410-Q414 HydrophobicContact CG1-CB 3.93Å; V410-R415 VanDerWaalsContact O-CZ 3.27Å; V410-R415 PolarHBondContact O-NE 3.34Å; V410-R415 PolarHBondContact O-NH2 2.96Å
411	P	91.2	Very high	92.5	Very high	14 Å²	14	44.2 Å²	44.2	9%	0.091	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-55.9	147.2	178.8	-27.8	36.4	0	0	0	112.9	R172 M413 Q414 R415	R172-P411 HydrophobicContact CB-CB 4.03Å; R172-P411 HydrophobicContact CB-CG 4.39Å; P411-M413 PolarHBondContact O-N 3.06Å; P411-Q414 PolarHBondContact O-N 3.14Å; P411-Q414 VanDerWaalsContact O-N 3.08Å; P411-R415 WeakPolarHBondContact O-CG 3.44Å
412	E	91.1	Very high	92.5	Very high	38 Å²	38	41.9 Å²	41.9	18%	0.178	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-59.3	-33	178.5	-168.2	178.3	-167.2	0	0	112.5	R172 T173 L174 Q414 R415 S416	R172-E412 WeakPolarHBondContact O-CB 3.35Å; R172-E412 PolarHBondContact O-N 3.38Å; T173-E412 VanDerWaalsContact CA-OE2 3.26Å; T173-E412 WeakPolarHBondContact CA-OE2 3.29Å; T173-E412 WeakPolarHBondContact CB-OE2 3.24Å; L174-E412 HydrophobicContact CB-CB 4.37Å; L174-E412 HydrophobicContact CB-CG 4.08Å; L174-E412 PolarHBondContact N-OE2 3.3Å; E412-Q414 PolarHBondContact O-N 2.93Å; E412-R415 PolarHBondContact O-N 3.29Å; E412-S416 WeakPolarHBondContact CG-OG 3.35Å; E412-S416 WeakPolarHBondContact O-CB 3.47Å; E412-S416 PolarHBondContact O-N 3.5Å; E412-S416 VanDerWaalsContact O-N 3.11Å; E412-S416 PolarHBondContact O-OG 3Å
413	M	91.3	Very high	92.4	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-49.8	-31.8	173.3	-174.7	60.7	69.1	0	0	113.9	L174 D177 I178 P411 L418 F438 S440 P442	L174-M413 HydrophobicContact CD1-CB 4.43Å; L174-M413 HydrophobicContact CD1-CE 3.6Å; L174-M413 HydrophobicContact CD1-SD 3.61Å; D177-M413 HydrophobicContact CB-CE 3.92Å; I178-M413 HydrophobicContact CD1-CE 3.51Å; I178-M413 HydrophobicContact CG1-CE 3.62Å; P411-M413 PolarHBondContact O-N 3.06Å; M413-L418 HydrophobicContact SD-CD2 3.7Å; M413-F438 HydrophobicContact CE-CD1 4.04Å; M413-F438 HydrophobicContact CE-CE1 4.2Å; M413-F438 HydrophobicContact SD-CD1 4.22Å; M413-F438 HydrophobicContact SD-CE1 4.22Å; M413-S440 WeakPolarHBondContact CG-O 3.15Å; M413-P442 HydrophobicContact CG-CB 4.18Å; M413-P442 HydrophobicContact SD-CB 4.32Å; M413-P442 HydrophobicContact SD-CG 4.39Å
414	Q	92.3	Very high	92.3	Very high	67 Å²	67	36.3 Å²	36.3	31%	0.313	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-96	-3.4	-174.8	-64.3	-176.5	-32.9	0	0	113.8	V410 P411 E412 P441	V410-Q414 HydrophobicContact CG1-CB 3.93Å; P411-Q414 PolarHBondContact O-N 3.14Å; P411-Q414 VanDerWaalsContact O-N 3.08Å; E412-Q414 PolarHBondContact O-N 2.93Å; Q414-P441 PolarHBondContact NE2-O 3.01Å
415	R	90.8	Very high	92.2	Very high	49 Å²	49	30 Å²	30	19%	0.185	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.1	10	-170.5	63	-174.8	173.1	143.8	-0.5	114.5	L356 A358 Y359 V410 P411 E412	L356-R415 VanDerWaalsContact CB-NH1 3.28Å; A358-R415 CarbonylContact C-O 3.46Å; A358-R415 VanDerWaalsContact C-O 3.31Å; A358-R415 VanDerWaalsContact CA-O 3.32Å; A358-R415 WeakPolarHBondContact CA-O 3.41Å; Y359-R415 WeakPolarHBondContact CB-O 3.46Å; Y359-R415 PolarHBondContact N-O 3.25Å; V410-R415 VanDerWaalsContact O-CZ 3.27Å; V410-R415 PolarHBondContact O-NE 3.34Å; V410-R415 PolarHBondContact O-NH2 2.96Å; P411-R415 WeakPolarHBondContact O-CG 3.44Å; E412-R415 PolarHBondContact O-N 3.29Å
416	S	90.5	Very high	92.1	Very high	2 Å²	2	30 Å²	30	1%	0.014	18%	0.182	C	C	.	.	S	Bend	trans	-124.5	165.1	179.9	-68.5	0	0	0	0	111.8	E412 L418	E412-S416 WeakPolarHBondContact CG-OG 3.35Å; E412-S416 WeakPolarHBondContact O-CB 3.47Å; E412-S416 PolarHBondContact O-N 3.5Å; E412-S416 VanDerWaalsContact O-N 3.11Å; E412-S416 PolarHBondContact O-OG 3Å; S416-L418 PolarHBondContact O-N 3.27Å
417	N	90.1	Very high	92.1	Very high	28 Å²	28	27.6 Å²	27.6	15%	0.15	17%	0.168	C	C	.	.			trans	-67.6	122.9	174.1	-179.9	3.6	0	0	0	111	Y359 A419	Y359-N417 HydrophobicContact CD2-CB 3.96Å; Y359-N417 HydrophobicContact CE2-CB 4.04Å; Y359-N417 HydrophobicContact CG-CB 4.5Å; N417-A419 WeakPolarHBondContact OD1-CB 3.48Å; N417-A419 PolarHBondContact OD1-N 3.38Å
418	L	93.2	Very high	92.2	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	15%	0.147	C	C	.	.			trans	-91.5	-7.7	-175.2	-59.7	177.4	0	0	0	114.2	L174 M413 S416 P420 V421 I422 P442 T446 A450	L174-L418 HydrophobicContact CD1-CD2 3.66Å; M413-L418 HydrophobicContact SD-CD2 3.7Å; S416-L418 PolarHBondContact O-N 3.27Å; L418-P420 VanDerWaalsContact C-CD 3.47Å; L418-V421 PolarHBondContact O-N 2.88Å; L418-V421 VanDerWaalsContact O-N 3.13Å; L418-I422 HydrophobicContact CB-CD1 4Å; L418-I422 HydrophobicContact CB-CG1 4.22Å; L418-I422 WeakPolarHBondContact O-CG1 3.4Å; L418-I422 PolarHBondContact O-N 3.16Å; L418-P442 HydrophobicContact CD1-CB 3.32Å; L418-P442 HydrophobicContact CD1-CG 3.88Å; L418-T446 HydrophobicContact CD1-CG2 3.61Å; L418-T446 HydrophobicContact CG-CG2 3.74Å; L418-A450 HydrophobicContact CB-CB 3.9Å
419	A	94.1	Very high	92.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-54.4	-44.7	-176.3	0	0	0	0	0	113.7	N417 V421 L423 A450 L453 L454 P481	N417-A419 WeakPolarHBondContact OD1-CB 3.48Å; N417-A419 PolarHBondContact OD1-N 3.38Å; A419-V421 VanDerWaalsContact C-N 3.33Å; A419-V421 PolarHBondContact O-N 3.38Å; A419-L423 WeakPolarHBondContact O-CB 3.39Å; A419-L423 PolarHBondContact O-N 3.41Å; A419-L423 VanDerWaalsContact O-N 3.13Å; A419-A450 HydrophobicContact CB-CB 4.11Å; A419-L453 HydrophobicContact CB-CD2 3.97Å; A419-L454 HydrophobicContact CB-CD2 4.23Å; A419-L454 HydrophobicContact CB-CG 4.17Å; A419-P481 HydrophobicContact CB-CG 4.29Å
420	P	93.2	Very high	92.4	Very high	26 Å²	26	23.1 Å²	23.1	17%	0.169	14%	0.135	C	C	.	.	H	α-helix	trans	-61.3	-40.8	178.3	-20.3	31.8	0	0	0	112.9	L418 Q424 P481	L418-P420 VanDerWaalsContact C-CD 3.47Å; P420-Q424 WeakPolarHBondContact O-CG 3.01Å; P420-Q424 PolarHBondContact O-N 3.27Å; P420-P481 HydrophobicContact CG-CG 4.49Å
421	V	92.3	Very high	92.2	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.018	14%	0.139	C	C	.	.	H	α-helix	trans	-77	-41.2	-175.8	162.3	0	0	0	0	112.1	L174 Y175 I178 L418 A419 L423 Q424 L425	L174-V421 HydrophobicContact CD1-CG2 4.18Å; L174-V421 HydrophobicContact CD2-CB 4.45Å; L174-V421 HydrophobicContact CD2-CG2 3.5Å; L174-V421 HydrophobicContact CG-CG2 3.68Å; Y175-V421 HydrophobicContact CE1-CG2 4.35Å; I178-V421 HydrophobicContact CD1-CG1 3.26Å; I178-V421 HydrophobicContact CG1-CG1 3.41Å; I178-V421 VanDerWaalsContact CG1-CG1 3.41Å; I178-V421 HydrophobicContact CG1-CG2 4.37Å; L418-V421 PolarHBondContact O-N 2.88Å; L418-V421 VanDerWaalsContact O-N 3.13Å; A419-V421 VanDerWaalsContact C-N 3.33Å; A419-V421 PolarHBondContact O-N 3.38Å; V421-L423 PolarHBondContact O-N 3.17Å; V421-Q424 PolarHBondContact O-N 3.49Å; V421-L425 HydrophobicContact CG1-CD1 4.07Å; V421-L425 HydrophobicContact CG1-CG 4.25Å; V421-L425 WeakPolarHBondContact O-CG 3.46Å; V421-L425 PolarHBondContact O-N 3.46Å
422	I	94.9	Very high	92.1	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-40.9	175.7	-70.8	-179.8	0	0	0	110	L418 Q424 L425 K426 V433 M447 A450 L451 L454	L418-I422 HydrophobicContact CB-CD1 4Å; L418-I422 HydrophobicContact CB-CG1 4.22Å; L418-I422 WeakPolarHBondContact O-CG1 3.4Å; L418-I422 PolarHBondContact O-N 3.16Å; I422-Q424 VanDerWaalsContact C-N 3.34Å; I422-Q424 PolarHBondContact O-N 2.96Å; I422-L425 PolarHBondContact O-N 2.67Å; I422-K426 HydrophobicContact CG2-CG 4.35Å; I422-K426 WeakPolarHBondContact O-CB 2.95Å; I422-K426 WeakPolarHBondContact O-CG 3.49Å; I422-K426 PolarHBondContact O-N 3.37Å; I422-V433 HydrophobicContact CG2-CG1 4.44Å; I422-M447 HydrophobicContact CD1-CG 3.8Å; I422-A450 HydrophobicContact CD1-CB 3.64Å; I422-L451 HydrophobicContact CD1-CG 4.47Å; I422-L451 HydrophobicContact CG2-CD2 3.69Å; I422-L451 HydrophobicContact CG2-CG 4.44Å; I422-L454 HydrophobicContact CB-CD1 4.08Å; I422-L454 HydrophobicContact CG2-CD1 3.78Å
423	L	95.4	Very high	92.1	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.026	15%	0.147	C	C	.	.	H	α-helix	trans	-58.6	-45.3	175.3	-177.5	64.2	0	0	0	111.8	A419 V421 K426 A427 L454 L466 M474 A475 P481	A419-L423 WeakPolarHBondContact O-CB 3.39Å; A419-L423 PolarHBondContact O-N 3.41Å; A419-L423 VanDerWaalsContact O-N 3.13Å; V421-L423 PolarHBondContact O-N 3.17Å; L423-K426 PolarHBondContact O-N 3.43Å; L423-A427 PolarHBondContact O-N 3.4Å; L423-L454 HydrophobicContact CB-CD1 4.04Å; L423-L454 HydrophobicContact CB-CD2 3.97Å; L423-L454 HydrophobicContact CD1-CD2 4.26Å; L423-L454 HydrophobicContact CD2-CD2 4.27Å; L423-L454 HydrophobicContact CG-CD2 4.4Å; L423-L466 HydrophobicContact CD1-CD1 3.45Å; L423-L466 VanDerWaalsContact CD1-CD1 3.45Å; L423-M474 HydrophobicContact CD2-CB 3.93Å; L423-A475 HydrophobicContact CD1-CB 4.34Å; L423-A475 HydrophobicContact CD2-CB 4.33Å; L423-A475 HydrophobicContact CG-CB 3.86Å; L423-P481 HydrophobicContact CD2-CB 4.3Å; L423-P481 HydrophobicContact CD2-CG 4.03Å
424	Q	93.4	Very high	91.8	Very high	22 Å²	22	31.9 Å²	31.9	10%	0.103	18%	0.179	C	C	.	.	H	α-helix	trans	-67.2	-42.3	176.9	-72	175.7	-14.5	0	0	113	M153 P420 V421 I422 K426 A427 L428	M153-Q424 HydrophobicContact SD-CG 4.15Å; P420-Q424 WeakPolarHBondContact O-CG 3.01Å; P420-Q424 PolarHBondContact O-N 3.27Å; V421-Q424 PolarHBondContact O-N 3.49Å; I422-Q424 VanDerWaalsContact C-N 3.34Å; I422-Q424 PolarHBondContact O-N 2.96Å; Q424-K426 VanDerWaalsContact C-N 3.3Å; Q424-K426 PolarHBondContact O-N 2.99Å; Q424-A427 PolarHBondContact O-N 2.89Å; Q424-L428 WeakPolarHBondContact O-CG 3.49Å; Q424-L428 PolarHBondContact O-N 3.4Å
425	L	94.1	Very high	91.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-59	-43.5	175.7	-72.3	175.7	0	0	0	111	I178 L182 V421 I422 L428 G429 I430 V433 F436 F438	I178-L425 HydrophobicContact CD1-CD1 3.93Å; I178-L425 HydrophobicContact CD1-CD2 4.23Å; I178-L425 HydrophobicContact CD1-CG 4.33Å; I178-L425 HydrophobicContact CG2-CD2 4.12Å; L182-L425 HydrophobicContact CD2-CD2 4.2Å; L182-L425 HydrophobicContact CG-CD2 4.48Å; V421-L425 HydrophobicContact CG1-CD1 4.07Å; V421-L425 HydrophobicContact CG1-CG 4.25Å; V421-L425 WeakPolarHBondContact O-CG 3.46Å; V421-L425 PolarHBondContact O-N 3.46Å; I422-L425 PolarHBondContact O-N 2.67Å; L425-L428 PolarHBondContact O-N 3.49Å; L425-G429 PolarHBondContact O-N 2.95Å; L425-I430 HydrophobicContact CB-CB 4.3Å; L425-I430 HydrophobicContact CB-CD1 4.35Å; L425-I430 HydrophobicContact CD2-CD1 3.54Å; L425-I430 VanDerWaalsContact O-CB 3.25Å; L425-I430 WeakPolarHBondContact O-CB 3.38Å; L425-I430 PolarHBondContact O-N 2.86Å; L425-V433 HydrophobicContact CB-CG1 4.23Å; L425-V433 HydrophobicContact CD1-CG1 4.35Å; L425-F436 HydrophobicContact CD2-CD2 4.47Å; L425-F436 HydrophobicContact CD2-CE1 4.44Å; L425-F436 HydrophobicContact CD2-CE2 4.12Å; L425-F436 HydrophobicContact CD2-CZ 4.07Å; L425-F438 HydrophobicContact CD1-CE1 4.33Å; L425-F438 HydrophobicContact CD1-CZ 4.3Å
426	K	94.1	Very high	91.7	Very high	21 Å²	21	36.9 Å²	36.9	9%	0.091	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-44	175.4	-69.5	-79.3	-175.9	168.9	0	111.5	I422 L423 Q424 L428 G429 D431 V433 L460 G464 L466	I422-K426 HydrophobicContact CG2-CG 4.35Å; I422-K426 WeakPolarHBondContact O-CB 2.95Å; I422-K426 WeakPolarHBondContact O-CG 3.49Å; I422-K426 PolarHBondContact O-N 3.37Å; L423-K426 PolarHBondContact O-N 3.43Å; Q424-K426 VanDerWaalsContact C-N 3.3Å; Q424-K426 PolarHBondContact O-N 2.99Å; K426-L428 PolarHBondContact O-N 3.37Å; K426-G429 PolarHBondContact O-N 2.99Å; K426-D431 WeakPolarHBondContact CE-O 3.26Å; K426-D431 PolarHBondContact NZ-O 3.42Å; K426-V433 HydrophobicContact CD-CG1 4.47Å; K426-V433 HydrophobicContact CG-CG1 4.48Å; K426-L460 HydrophobicContact CG-CD2 4.27Å; K426-G464 WeakPolarHBondContact CE-O 3.35Å; K426-G464 PolarHBondContact NZ-O 2.9Å; K426-L466 HydrophobicContact CB-CB 4.48Å; K426-L466 HydrophobicContact CB-CD1 4.25Å
427	A	93	Very high	91.7	Very high	21 Å²	21	39.6 Å²	39.6	17%	0.174	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-27.6	175.3	0	0	0	0	0	113.7	M153 L423 Q424 G429 L466 M472 A475	M153-A427 HydrophobicContact CE-CB 3.81Å; L423-A427 PolarHBondContact O-N 3.4Å; Q424-A427 PolarHBondContact O-N 2.89Å; A427-G429 PolarHBondContact O-N 2.59Å; A427-L466 HydrophobicContact CB-CD2 3.85Å; A427-M472 HydrophobicContact CB-SD 4.34Å; A427-A475 HydrophobicContact CB-CB 3.54Å
428	L	92.1	Very high	91.8	Very high	41 Å²	41	39.6 Å²	39.6	22%	0.215	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	7	171.7	-69.4	168	0	0	0	113.5	M152 M153 L182 Q424 L425 K426	M152-L428 HydrophobicContact CB-CD2 4.18Å; M152-L428 VanDerWaalsContact O-CD2 3.31Å; M152-L428 WeakPolarHBondContact O-CD2 3.24Å; M153-L428 HydrophobicContact CB-CD2 4.41Å; M153-L428 HydrophobicContact CG-CD2 4.03Å; M153-L428 HydrophobicContact CG-CG 4.3Å; L182-L428 HydrophobicContact CD1-CD1 3.67Å; L182-L428 HydrophobicContact CD2-CD1 3.91Å; L182-L428 HydrophobicContact CG-CD1 4.48Å; Q424-L428 WeakPolarHBondContact O-CG 3.49Å; Q424-L428 PolarHBondContact O-N 3.4Å; L425-L428 PolarHBondContact O-N 3.49Å; K426-L428 PolarHBondContact O-N 3.37Å
429	G	90.6	Very high	91.6	Very high	51 Å²	51	40.6 Å²	40.6	53%	0.526	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	19.9	-179.7	0	0	0	0	0	114.2	L425 K426 A427 D431	L425-G429 PolarHBondContact O-N 2.95Å; K426-G429 PolarHBondContact O-N 2.99Å; A427-G429 PolarHBondContact O-N 2.59Å; G429-D431 PolarHBondContact O-N 3.07Å
430	I	92.5	Very high	91.3	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.046	23%	0.225	C	C	.	.			trans	-90.5	81.8	174.1	-56.3	166.6	0	0	0	108.3	L182 L425 V433 F436	L182-I430 HydrophobicContact CD2-CD1 3.5Å; L182-I430 VanDerWaalsContact CD2-CD1 3.5Å; L425-I430 HydrophobicContact CB-CB 4.3Å; L425-I430 HydrophobicContact CB-CD1 4.35Å; L425-I430 HydrophobicContact CD2-CD1 3.54Å; L425-I430 VanDerWaalsContact O-CB 3.25Å; L425-I430 WeakPolarHBondContact O-CB 3.38Å; L425-I430 PolarHBondContact O-N 2.86Å; I430-V433 HydrophobicContact CG2-CG1 4.45Å; I430-F436 HydrophobicContact CD1-CD2 3.72Å; I430-F436 HydrophobicContact CD1-CE2 3.67Å; I430-F436 HydrophobicContact CG2-CB 4.23Å; I430-F436 HydrophobicContact CG2-CD2 4.1Å
431	D	87.3	Confident	91.1	Very high	106 Å²	106	44.3 Å²	44.3	57%	0.567	24%	0.242	S	C	*	.			trans	-64.7	-47	-179.6	-68	-40.5	0	0	0	111.8	K426 G429 V433	K426-D431 WeakPolarHBondContact CE-O 3.26Å; K426-D431 PolarHBondContact NZ-O 3.42Å; G429-D431 PolarHBondContact O-N 3.07Å; D431-V433 PolarHBondContact O-N 3.14Å
432	N	88.4	Confident	91.1	Very high	75 Å²	75	44.9 Å²	44.9	40%	0.401	25%	0.246	S	C	.	.			trans	-94.3	84.5	178.1	-165.6	-23.1	0	0	0	111.1	L434 R435 F436	N432-L434 PolarHBondContact O-N 3.17Å; N432-L434 WeakPolarHBondContact OD1-CB 3.31Å; N432-L434 PolarHBondContact OD1-N 3.13Å; N432-L434 VanDerWaalsContact OD1-N 3.14Å; N432-R435 HydrophobicContact CB-CB 4.41Å; N432-R435 PolarHBondContact O-N 3.46Å; N432-R435 PolarHBondContact OD1-N 3.08Å; N432-F436 PolarHBondContact O-N 2.99Å
433	V	89.8	Confident	91	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.03	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-62	-25.7	176.6	-66.4	0	0	0	0	113	I422 L425 K426 I430 D431 R435 F436 F438 M447	I422-V433 HydrophobicContact CG2-CG1 4.44Å; L425-V433 HydrophobicContact CB-CG1 4.23Å; L425-V433 HydrophobicContact CD1-CG1 4.35Å; K426-V433 HydrophobicContact CD-CG1 4.47Å; K426-V433 HydrophobicContact CG-CG1 4.48Å; I430-V433 HydrophobicContact CG2-CG1 4.45Å; D431-V433 PolarHBondContact O-N 3.14Å; V433-R435 VanDerWaalsContact C-N 3.3Å; V433-R435 PolarHBondContact O-N 3.29Å; V433-F436 WeakPolarHBondContact O-CB 3.39Å; V433-F436 PolarHBondContact O-N 2.91Å; V433-F438 VanDerWaalsContact O-CE2 3.24Å; V433-F438 WeakPolarHBondContact O-CE2 3.28Å; V433-M447 HydrophobicContact CG2-CE 4.49Å; V433-M447 HydrophobicContact CG2-SD 3.85Å
434	L	86.4	Confident	90.8	Very high	130 Å²	130	50.5 Å²	50.5	68%	0.681	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-68.6	-29.6	177.3	-64.3	163	0	0	0	112.4	N432 M447	N432-L434 PolarHBondContact O-N 3.17Å; N432-L434 WeakPolarHBondContact OD1-CB 3.31Å; N432-L434 PolarHBondContact OD1-N 3.13Å; N432-L434 VanDerWaalsContact OD1-N 3.14Å; L434-M447 HydrophobicContact CD2-CE 4.45Å; L434-M447 HydrophobicContact CD2-SD 3.3Å; L434-M447 WeakPolarHBondContact CD2-SD 3.32Å; L434-M447 HydrophobicContact CG-SD 3.92Å
435	R	88.2	Confident	90.7	Very high	209 Å²	209	54 Å²	54	79%	0.789	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-91.8	1.4	177.5	-68.4	-173.1	179.6	-168.7	0.9	113.2	N432 V433	N432-R435 HydrophobicContact CB-CB 4.41Å; N432-R435 PolarHBondContact O-N 3.46Å; N432-R435 PolarHBondContact OD1-N 3.08Å; V433-R435 VanDerWaalsContact C-N 3.3Å; V433-R435 PolarHBondContact O-N 3.29Å
436	F	92.6	Very high	90.6	Very high	13 Å²	13	54.1 Å²	54.1	6%	0.057	31%	0.307	C	S	.	.	S	Bend	trans	-66.6	138.7	175.5	-178.8	-101	0	0	0	110.3	I178 G181 L182 L425 I430 N432 V433 F438	I178-F436 HydrophobicContact CD1-CE1 4.24Å; G181-F436 VanDerWaalsContact C-CZ 3.44Å; L182-F436 HydrophobicContact CD2-CE2 4Å; L182-F436 HydrophobicContact CD2-CZ 4.33Å; L182-F436 HydrophobicContact CG-CE2 4.29Å; L182-F436 HydrophobicContact CG-CZ 4.13Å; L425-F436 HydrophobicContact CD2-CD2 4.47Å; L425-F436 HydrophobicContact CD2-CE1 4.44Å; L425-F436 HydrophobicContact CD2-CE2 4.12Å; L425-F436 HydrophobicContact CD2-CZ 4.07Å; I430-F436 HydrophobicContact CD1-CD2 3.72Å; I430-F436 HydrophobicContact CD1-CE2 3.67Å; I430-F436 HydrophobicContact CG2-CB 4.23Å; I430-F436 HydrophobicContact CG2-CD2 4.1Å; N432-F436 PolarHBondContact O-N 2.99Å; V433-F436 WeakPolarHBondContact O-CB 3.39Å; V433-F436 PolarHBondContact O-N 2.91Å; F436-F438 VanDerWaalsContact C-N 3.33Å; F436-F438 HydrophobicContact CB-CD2 4.39Å; F436-F438 HydrophobicContact CB-CE2 3.87Å; F436-F438 HydrophobicContact CB-CZ 4.05Å; F436-F438 AromaticContact CD1-CD1 3.53Å; F436-F438 HydrophobicContact CD1-CD1 3.53Å; F436-F438 AromaticContact CD1-CD2 3.96Å; F436-F438 HydrophobicContact CD1-CD2 3.96Å; F436-F438 AromaticContact CD1-CE1 3.39Å; F436-F438 HydrophobicContact CD1-CE1 3.39Å; F436-F438 AromaticContact CD1-CE2 3.84Å; F436-F438 HydrophobicContact CD1-CE2 3.84Å; F436-F438 AromaticContact CD1-CG 3.82Å; F436-F438 HydrophobicContact CD1-CG 3.82Å; F436-F438 AromaticContact CD1-CZ 3.55Å; F436-F438 HydrophobicContact CD1-CZ 3.55Å; F436-F438 AromaticContact CE1-CD1 3.83Å; F436-F438 HydrophobicContact CE1-CD1 3.83Å; F436-F438 AromaticContact CE1-CE1 3.84Å; F436-F438 HydrophobicContact CE1-CE1 3.84Å; F436-F438 HydrophobicContact CE1-CG 4.4Å; F436-F438 HydrophobicContact CE1-CZ 4.43Å; F436-F438 HydrophobicContact CG-CE1 4.44Å; F436-F438 HydrophobicContact CG-CE2 4.37Å; F436-F438 HydrophobicContact CG-CZ 4.22Å; F436-F438 VanDerWaalsContact O-CD2 3.26Å; F436-F438 WeakPolarHBondContact O-CD2 3.4Å; F436-F438 PolarHBondContact O-N 3.19Å
437	S	89.8	Confident	90.5	Very high	58 Å²	58	53.6 Å²	53.6	41%	0.406	30%	0.304	S	S	.	.			trans	-77.5	82.9	-179.3	-56.5	0	0	0	0	110.5	G181 F210	G181-S437 WeakPolarHBondContact CA-O 3.38Å; F210-S437 VanDerWaalsContact CZ-O 3.28Å; F210-S437 WeakPolarHBondContact CZ-O 3.26Å
438	F	91.5	Very high	90.4	Very high	28 Å²	28	56 Å²	56	12%	0.123	32%	0.317	C	S	.	.			trans	-76	137	169.5	-59.9	-78.7	0	0	0	110.4	I178 M413 L425 V433 F436 S440 P441 P442 M447	I178-F438 HydrophobicContact CD1-CD1 4.37Å; I178-F438 HydrophobicContact CD1-CE1 3.87Å; M413-F438 HydrophobicContact CE-CD1 4.04Å; M413-F438 HydrophobicContact CE-CE1 4.2Å; M413-F438 HydrophobicContact SD-CD1 4.22Å; M413-F438 HydrophobicContact SD-CE1 4.22Å; L425-F438 HydrophobicContact CD1-CE1 4.33Å; L425-F438 HydrophobicContact CD1-CZ 4.3Å; V433-F438 VanDerWaalsContact O-CE2 3.24Å; V433-F438 WeakPolarHBondContact O-CE2 3.28Å; F436-F438 VanDerWaalsContact C-N 3.33Å; F436-F438 HydrophobicContact CB-CD2 4.39Å; F436-F438 HydrophobicContact CB-CE2 3.87Å; F436-F438 HydrophobicContact CB-CZ 4.05Å; F436-F438 AromaticContact CD1-CD1 3.53Å; F436-F438 HydrophobicContact CD1-CD1 3.53Å; F436-F438 AromaticContact CD1-CD2 3.96Å; F436-F438 HydrophobicContact CD1-CD2 3.96Å; F436-F438 AromaticContact CD1-CE1 3.39Å; F436-F438 HydrophobicContact CD1-CE1 3.39Å; F436-F438 AromaticContact CD1-CE2 3.84Å; F436-F438 HydrophobicContact CD1-CE2 3.84Å; F436-F438 AromaticContact CD1-CG 3.82Å; F436-F438 HydrophobicContact CD1-CG 3.82Å; F436-F438 AromaticContact CD1-CZ 3.55Å; F436-F438 HydrophobicContact CD1-CZ 3.55Å; F436-F438 AromaticContact CE1-CD1 3.83Å; F436-F438 HydrophobicContact CE1-CD1 3.83Å; F436-F438 AromaticContact CE1-CE1 3.84Å; F436-F438 HydrophobicContact CE1-CE1 3.84Å; F436-F438 HydrophobicContact CE1-CG 4.4Å; F436-F438 HydrophobicContact CE1-CZ 4.43Å; F436-F438 HydrophobicContact CG-CE1 4.44Å; F436-F438 HydrophobicContact CG-CE2 4.37Å; F436-F438 HydrophobicContact CG-CZ 4.22Å; F436-F438 VanDerWaalsContact O-CD2 3.26Å; F436-F438 WeakPolarHBondContact O-CD2 3.4Å; F436-F438 PolarHBondContact O-N 3.19Å; F438-S440 VanDerWaalsContact C-N 3.25Å; F438-S440 PolarHBondContact O-N 2.87Å; F438-P441 HydrophobicContact CB-CB 4.44Å; F438-P442 HydrophobicContact CE2-CG 4.41Å; F438-P442 HydrophobicContact CZ-CG 4.43Å; F438-M447 HydrophobicContact CE2-CE 3.99Å; F438-M447 HydrophobicContact CZ-CE 4.13Å
439	L	89.9	Confident	90.4	Very high	25 Å²	25	54.8 Å²	54.8	13%	0.131	31%	0.31	C	S	.	.	S	Bend	trans	-62.8	-36.9	169.4	178.5	63.3	0	0	0	111.3	I180 F207 F210	I180-L439 HydrophobicContact CD1-CD2 4.16Å; I180-L439 HydrophobicContact CG2-CB 4.38Å; F207-L439 HydrophobicContact CD1-CD2 3.74Å; F207-L439 HydrophobicContact CE1-CD2 3.32Å; F207-L439 HydrophobicContact CZ-CD2 4.09Å; F210-L439 HydrophobicContact CB-CD1 3.71Å; F210-L439 HydrophobicContact CD2-CB 4.29Å; F210-L439 HydrophobicContact CD2-CD1 3.82Å; F210-L439 HydrophobicContact CE2-CB 4.3Å; F210-L439 HydrophobicContact CG-CD1 3.79Å
440	S	87.3	Confident	90.6	Very high	20 Å²	20	52.4 Å²	52.4	14%	0.14	29%	0.285	C	S	.	.	S	Bend	trans	-135	111.5	167.4	-61.4	0	0	0	0	108.7	R172 M413 F438	R172-S440 VanDerWaalsContact NH2-CB 3.28Å; R172-S440 PolarHBondContact NH2-OG 3.49Å; M413-S440 WeakPolarHBondContact CG-O 3.15Å; F438-S440 VanDerWaalsContact C-N 3.25Å; F438-S440 PolarHBondContact O-N 2.87Å
441	P	90.6	Very high	90.6	Very high	83 Å²	83	54.2 Å²	54.2	54%	0.539	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-65.2	138.7	-174.6	24.8	-32.4	0	0	0	110.8	Q414 F438	Q414-P441 PolarHBondContact NE2-O 3.01Å; F438-P441 HydrophobicContact CB-CB 4.44Å
442	P	92	Very high	90.9	Very high	16 Å²	16	53.3 Å²	53.3	10%	0.104	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-68.9	155.4	174.2	29.1	-35.8	0	0	0	111.7	M413 L418 F438 A444 M447	M413-P442 HydrophobicContact CG-CB 4.18Å; M413-P442 HydrophobicContact SD-CB 4.32Å; M413-P442 HydrophobicContact SD-CG 4.39Å; L418-P442 HydrophobicContact CD1-CB 3.32Å; L418-P442 HydrophobicContact CD1-CG 3.88Å; F438-P442 HydrophobicContact CE2-CG 4.41Å; F438-P442 HydrophobicContact CZ-CG 4.43Å; P442-A444 PolarHBondContact O-N 3.02Å; P442-M447 HydrophobicContact CG-CE 3.57Å
443	P	91.9	Very high	91.1	Very high	55 Å²	55	50.9 Å²	50.9	36%	0.357	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-58.1	135.7	171.1	-22.8	32.9	0	0	0	111.7	Q445 T446 M447	P443-Q445 PolarHBondContact O-N 3.47Å; P443-T446 WeakPolarHBondContact O-CB 3.49Å; P443-T446 PolarHBondContact O-N 2.77Å; P443-T446 VanDerWaalsContact O-N 3.08Å; P443-M447 PolarHBondContact O-N 3.14Å; P443-M447 VanDerWaalsContact O-N 3.15Å
444	A	91	Very high	91.5	Very high	71 Å²	71	50.7 Å²	50.7	59%	0.587	27%	0.273	S	S	*	.	H	α-helix	trans	-56	-38.9	-179	0	0	0	0	0	112.4	P442 T446 M447 V448	P442-A444 PolarHBondContact O-N 3.02Å; A444-T446 PolarHBondContact O-N 3.44Å; A444-M447 PolarHBondContact O-N 3.37Å; A444-V448 WeakPolarHBondContact O-CG2 3.28Å; A444-V448 PolarHBondContact O-N 3.28Å
445	Q	91.4	Very high	91.9	Very high	95 Å²	95	50.5 Å²	50.5	44%	0.444	26%	0.264	S	S	.	.	H	α-helix	trans	-62	-41.9	178.7	-164.7	-179	-3.8	0	0	112.2	P361 P443 M447 V448 Q449	P361-Q445 HydrophobicContact CB-CB 4.39Å; P361-Q445 HydrophobicContact CB-CG 4.03Å; P361-Q445 HydrophobicContact CG-CB 4.42Å; P361-Q445 HydrophobicContact CG-CG 4.24Å; P443-Q445 PolarHBondContact O-N 3.47Å; Q445-M447 VanDerWaalsContact C-N 3.33Å; Q445-M447 PolarHBondContact O-N 2.78Å; Q445-V448 PolarHBondContact O-N 3.48Å; Q445-Q449 WeakPolarHBondContact O-CB 3.47Å; Q445-Q449 PolarHBondContact O-N 3.25Å
446	T	92.1	Very high	92.2	Very high	5 Å²	5	41 Å²	41	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-39.1	176.3	-53.2	0	0	0	0	111.2	Y359 L418 P443 A444 Q449 A450	Y359-T446 HydrophobicContact CD1-CG2 3.76Å; Y359-T446 HydrophobicContact CE1-CG2 3.84Å; L418-T446 HydrophobicContact CD1-CG2 3.61Å; L418-T446 HydrophobicContact CG-CG2 3.74Å; P443-T446 WeakPolarHBondContact O-CB 3.49Å; P443-T446 PolarHBondContact O-N 2.77Å; P443-T446 VanDerWaalsContact O-N 3.08Å; A444-T446 PolarHBondContact O-N 3.44Å; T446-Q449 PolarHBondContact O-N 2.82Å; T446-A450 WeakPolarHBondContact O-CB 3.4Å; T446-A450 PolarHBondContact O-N 2.93Å
447	M	92.1	Very high	92.4	Very high	9 Å²	9	40.5 Å²	40.5	4%	0.044	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-45.8	177.1	-172.6	176	-73.9	0	0	112.3	I422 V433 L434 F438 P442 P443 A444 Q445 Q449 A450 L451	I422-M447 HydrophobicContact CD1-CG 3.8Å; V433-M447 HydrophobicContact CG2-CE 4.49Å; V433-M447 HydrophobicContact CG2-SD 3.85Å; L434-M447 HydrophobicContact CD2-CE 4.45Å; L434-M447 HydrophobicContact CD2-SD 3.3Å; L434-M447 WeakPolarHBondContact CD2-SD 3.32Å; L434-M447 HydrophobicContact CG-SD 3.92Å; F438-M447 HydrophobicContact CE2-CE 3.99Å; F438-M447 HydrophobicContact CZ-CE 4.13Å; P442-M447 HydrophobicContact CG-CE 3.57Å; P443-M447 PolarHBondContact O-N 3.14Å; P443-M447 VanDerWaalsContact O-N 3.15Å; A444-M447 PolarHBondContact O-N 3.37Å; Q445-M447 VanDerWaalsContact C-N 3.33Å; Q445-M447 PolarHBondContact O-N 2.78Å; M447-Q449 VanDerWaalsContact C-N 3.26Å; M447-Q449 PolarHBondContact O-N 2.85Å; M447-A450 PolarHBondContact O-N 3.27Å; M447-L451 HydrophobicContact CG-CD1 4.26Å; M447-L451 WeakPolarHBondContact O-CG 3.38Å; M447-L451 PolarHBondContact O-N 3.46Å
448	V	91.9	Very high	92.6	Very high	72 Å²	72	39 Å²	39	44%	0.436	22%	0.222	S	C	.	.	H	α-helix	trans	-56.9	-45.7	174.5	170.4	0	0	0	0	109.8	A444 Q445 A450 L451 E452	A444-V448 WeakPolarHBondContact O-CG2 3.28Å; A444-V448 PolarHBondContact O-N 3.28Å; Q445-V448 PolarHBondContact O-N 3.48Å; V448-A450 VanDerWaalsContact C-N 3.33Å; V448-A450 PolarHBondContact O-N 3.18Å; V448-L451 PolarHBondContact O-N 2.79Å; V448-L451 VanDerWaalsContact O-N 3.16Å; V448-E452 HydrophobicContact CG1-CG 4.26Å; V448-E452 WeakPolarHBondContact O-CG 3.14Å; V448-E452 PolarHBondContact O-N 3.32Å
449	Q	91.6	Very high	92.8	Very high	16 Å²	16	37.7 Å²	37.7	8%	0.075	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-35.1	-175.9	-155.4	41.3	-110.8	0	0	113.2	A364 Q445 T446 M447 E452 L453	A364-Q449 HydrophobicContact CB-CG 4.38Å; Q445-Q449 WeakPolarHBondContact O-CB 3.47Å; Q445-Q449 PolarHBondContact O-N 3.25Å; T446-Q449 PolarHBondContact O-N 2.82Å; M447-Q449 VanDerWaalsContact C-N 3.26Å; M447-Q449 PolarHBondContact O-N 2.85Å; Q449-E452 VanDerWaalsContact CD-OE2 3.3Å; Q449-E452 PolarHBondContact NE2-OE2 2.91Å; Q449-E452 PolarHBondContact OE1-OE2 3.41Å; Q449-E452 VanDerWaalsContact OE1-OE2 3.08Å; Q449-L453 PolarHBondContact O-N 3.11Å
450	A	93.8	Very high	93.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-41.9	171.3	0	0	0	0	0	112.6	L418 A419 I422 T446 M447 V448 L453 L454	L418-A450 HydrophobicContact CB-CB 3.9Å; A419-A450 HydrophobicContact CB-CB 4.11Å; I422-A450 HydrophobicContact CD1-CB 3.64Å; T446-A450 WeakPolarHBondContact O-CB 3.4Å; T446-A450 PolarHBondContact O-N 2.93Å; M447-A450 PolarHBondContact O-N 3.27Å; V448-A450 VanDerWaalsContact C-N 3.33Å; V448-A450 PolarHBondContact O-N 3.18Å; A450-L453 PolarHBondContact O-N 3.48Å; A450-L454 VanDerWaalsContact O-CG 3.28Å; A450-L454 WeakPolarHBondContact O-CG 3.32Å; A450-L454 PolarHBondContact O-N 3.31Å
451	L	93.9	Very high	93.5	Very high	48 Å²	48	37.3 Å²	37.3	25%	0.251	21%	0.212	S	C	.	.	H	α-helix	trans	-64.8	-42	175.5	-70.8	167.4	0	0	0	111.9	I422 M447 V448 L454 Y455 L460	I422-L451 HydrophobicContact CD1-CG 4.47Å; I422-L451 HydrophobicContact CG2-CD2 3.69Å; I422-L451 HydrophobicContact CG2-CG 4.44Å; M447-L451 HydrophobicContact CG-CD1 4.26Å; M447-L451 WeakPolarHBondContact O-CG 3.38Å; M447-L451 PolarHBondContact O-N 3.46Å; V448-L451 PolarHBondContact O-N 2.79Å; V448-L451 VanDerWaalsContact O-N 3.16Å; L451-L454 PolarHBondContact O-N 3.05Å; L451-Y455 WeakPolarHBondContact O-CB 3.3Å; L451-Y455 PolarHBondContact O-N 3.36Å; L451-L460 HydrophobicContact CD2-CD1 3.64Å
452	E	92.5	Very high	93.6	Very high	86 Å²	86	39.3 Å²	39.3	40%	0.402	21%	0.214	S	C	.	.	H	α-helix	trans	-60.2	-44.6	175.5	-76.5	-179.2	175.5	0	0	111.8	V448 Q449 Y455 A456	V448-E452 HydrophobicContact CG1-CG 4.26Å; V448-E452 WeakPolarHBondContact O-CG 3.14Å; V448-E452 PolarHBondContact O-N 3.32Å; Q449-E452 VanDerWaalsContact CD-OE2 3.3Å; Q449-E452 PolarHBondContact NE2-OE2 2.91Å; Q449-E452 PolarHBondContact OE1-OE2 3.41Å; Q449-E452 VanDerWaalsContact OE1-OE2 3.08Å; E452-Y455 PolarHBondContact O-N 3.1Å; E452-A456 WeakPolarHBondContact O-CB 3.34Å; E452-A456 PolarHBondContact O-N 3.37Å
453	L	93.9	Very high	93.5	Very high	25 Å²	25	46.5 Å²	46.5	13%	0.131	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-46.1	176.1	177.5	61.8	0	0	0	111.5	A419 Q449 A450 Y455 A456 L457 A607	A419-L453 HydrophobicContact CB-CD2 3.97Å; Q449-L453 PolarHBondContact O-N 3.11Å; A450-L453 PolarHBondContact O-N 3.48Å; L453-Y455 VanDerWaalsContact C-N 3.34Å; L453-Y455 PolarHBondContact O-N 2.83Å; L453-A456 PolarHBondContact O-N 3.33Å; L453-L457 HydrophobicContact CD1-CD1 4.1Å; L453-L457 HydrophobicContact CD1-CG 4.21Å; L453-L457 HydrophobicContact CG-CD1 3.99Å; L453-L457 VanDerWaalsContact O-CG 3.31Å; L453-L457 WeakPolarHBondContact O-CG 3.41Å; L453-L457 PolarHBondContact O-N 2.83Å; L453-A607 HydrophobicContact CD1-CB 3.79Å
454	L	96.3	Very high	93.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.8	-37	179.9	-69.1	174.4	0	0	0	112.5	A419 I422 L423 A450 L451 L457 G458 G459 L460 P481	A419-L454 HydrophobicContact CB-CD2 4.23Å; A419-L454 HydrophobicContact CB-CG 4.17Å; I422-L454 HydrophobicContact CB-CD1 4.08Å; I422-L454 HydrophobicContact CG2-CD1 3.78Å; L423-L454 HydrophobicContact CB-CD1 4.04Å; L423-L454 HydrophobicContact CB-CD2 3.97Å; L423-L454 HydrophobicContact CD1-CD2 4.26Å; L423-L454 HydrophobicContact CD2-CD2 4.27Å; L423-L454 HydrophobicContact CG-CD2 4.4Å; A450-L454 VanDerWaalsContact O-CG 3.28Å; A450-L454 WeakPolarHBondContact O-CG 3.32Å; A450-L454 PolarHBondContact O-N 3.31Å; L451-L454 PolarHBondContact O-N 3.05Å; L454-L457 PolarHBondContact O-N 2.94Å; L454-G458 PolarHBondContact O-N 2.83Å; L454-G459 WeakPolarHBondContact O-CA 3.35Å; L454-G459 PolarHBondContact O-N 3.02Å; L454-L460 HydrophobicContact CB-CD1 3.62Å; L454-L460 HydrophobicContact CB-CG 3.77Å; L454-L460 HydrophobicContact CD1-CD1 4Å; L454-L460 HydrophobicContact CD1-CG 4.46Å; L454-L460 PolarHBondContact O-N 2.81Å; L454-P481 HydrophobicContact CD2-CB 3.79Å; L454-P481 HydrophobicContact CD2-CG 3.73Å
455	Y	95.8	Very high	93.6	Very high	127 Å²	127	48 Å²	48	50%	0.498	23%	0.231	S	C	.	.	H	α-helix	trans	-62.9	-46.6	170.9	175.8	-107	0	0	0	111	L451 E452 L453 L457 G458 L460 D461 H462	L451-Y455 WeakPolarHBondContact O-CB 3.3Å; L451-Y455 PolarHBondContact O-N 3.36Å; E452-Y455 PolarHBondContact O-N 3.1Å; L453-Y455 VanDerWaalsContact C-N 3.34Å; L453-Y455 PolarHBondContact O-N 2.83Å; Y455-L457 VanDerWaalsContact C-N 3.29Å; Y455-L457 PolarHBondContact O-N 3.03Å; Y455-G458 WeakPolarHBondContact O-CA 3.29Å; Y455-G458 PolarHBondContact O-N 2.78Å; Y455-L460 WeakPolarHBondContact CD2-O 3.49Å; Y455-D461 WeakPolarHBondContact CD2-O 3.3Å; Y455-H462 HydrophobicContact CE2-CB 4.06Å
456	A	94.3	Very high	93.8	Very high	9 Å²	9	45.3 Å²	45.3	7%	0.074	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-34.3	177.9	0	0	0	0	0	112.9	E452 L453 G458 F606 H674 F675	E452-A456 WeakPolarHBondContact O-CB 3.34Å; E452-A456 PolarHBondContact O-N 3.37Å; L453-A456 PolarHBondContact O-N 3.33Å; A456-G458 PolarHBondContact O-N 3.15Å; A456-F606 HydrophobicContact CB-CE2 4.14Å; A456-F606 HydrophobicContact CB-CZ 4.09Å; A456-F606 WeakPolarHBondContact O-CZ 3.33Å; A456-H674 PolarHBondContact O-NE2 3.08Å; A456-F675 HydrophobicContact CB-CD2 3.93Å; A456-F675 HydrophobicContact CB-CE2 4.33Å
457	L	95.9	Very high	94	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-8.1	174.7	-67.8	167.9	0	0	0	113.1	L453 L454 Y455 G459 M474 P481 M482 K485 F606	L453-L457 HydrophobicContact CD1-CD1 4.1Å; L453-L457 HydrophobicContact CD1-CG 4.21Å; L453-L457 HydrophobicContact CG-CD1 3.99Å; L453-L457 VanDerWaalsContact O-CG 3.31Å; L453-L457 WeakPolarHBondContact O-CG 3.41Å; L453-L457 PolarHBondContact O-N 2.83Å; L454-L457 PolarHBondContact O-N 2.94Å; Y455-L457 VanDerWaalsContact C-N 3.29Å; Y455-L457 PolarHBondContact O-N 3.03Å; L457-G459 VanDerWaalsContact C-N 3.28Å; L457-M474 HydrophobicContact CB-CE 4.05Å; L457-M474 HydrophobicContact CD1-CE 4.28Å; L457-P481 HydrophobicContact CD1-CB 3.62Å; L457-M482 HydrophobicContact CD1-CG 4.14Å; L457-M482 HydrophobicContact CD2-CG 4.28Å; L457-K485 HydrophobicContact CD2-CB 4.23Å; L457-K485 HydrophobicContact CD2-CG 4.2Å; L457-K485 WeakPolarHBondContact O-CD 3.41Å; L457-K485 WeakPolarHBondContact O-CE 3.41Å; L457-F606 HydrophobicContact CD2-CE1 3.77Å; L457-F606 HydrophobicContact CD2-CZ 4Å
458	G	95.6	Very high	94	Very high	27 Å²	27	53 Å²	53	28%	0.278	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	10.8	-174.2	0	0	0	0	0	113.9	L454 Y455 A456 L460 T467 L470	L454-G458 PolarHBondContact O-N 2.83Å; Y455-G458 WeakPolarHBondContact O-CA 3.29Å; Y455-G458 PolarHBondContact O-N 2.78Å; A456-G458 PolarHBondContact O-N 3.15Å; G458-L460 VanDerWaalsContact C-N 3.33Å; G458-T467 WeakPolarHBondContact O-CG2 3.44Å; G458-T467 PolarHBondContact O-OG1 3.41Å; G458-L470 WeakPolarHBondContact O-CD2 3.43Å
459	G	95.8	Very high	94.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-75.6	-22.4	176.1	0	0	0	0	0	113.2	L454 L457 T467 G471	L454-G459 WeakPolarHBondContact O-CA 3.35Å; L454-G459 PolarHBondContact O-N 3.02Å; L457-G459 VanDerWaalsContact C-N 3.28Å; G459-T467 PolarHBondContact O-N 2.94Å; G459-T467 PolarHBondContact O-OG1 3.33Å; G459-G471 WeakPolarHBondContact O-CA 3.05Å
460	L	96.6	Very high	94.2	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.031	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-122.9	149.1	173.6	-59.3	177.4	0	0	0	111.1	K426 L451 L454 Y455 G458 R465 L466 T467	K426-L460 HydrophobicContact CG-CD2 4.27Å; L451-L460 HydrophobicContact CD2-CD1 3.64Å; L454-L460 HydrophobicContact CB-CD1 3.62Å; L454-L460 HydrophobicContact CB-CG 3.77Å; L454-L460 HydrophobicContact CD1-CD1 4Å; L454-L460 HydrophobicContact CD1-CG 4.46Å; L454-L460 PolarHBondContact O-N 2.81Å; Y455-L460 WeakPolarHBondContact CD2-O 3.49Å; G458-L460 VanDerWaalsContact C-N 3.33Å; L460-R465 CarbonylContact C-O 3.59Å; L460-R465 WeakPolarHBondContact CA-O 3.46Å; L460-L466 HydrophobicContact CD2-CD1 4.19Å; L460-T467 VanDerWaalsContact C-CG2 3.47Å
461	D	94.5	Very high	94.3	Very high	31 Å²	31	53.4 Å²	53.4	17%	0.166	26%	0.264	C	S	.	.			trans	-82.4	177.7	170.3	76.5	4	0	0	0	111.7	Y455 Y463 G464 R465 T467	Y455-D461 WeakPolarHBondContact CD2-O 3.3Å; D461-Y463 PolarHBondContact O-N 3.47Å; D461-Y463 VanDerWaalsContact OD1-C 3.3Å; D461-Y463 VanDerWaalsContact OD1-CA 3.32Å; D461-Y463 WeakPolarHBondContact OD1-CA 3.47Å; D461-Y463 WeakPolarHBondContact OD1-CB 3.35Å; D461-Y463 PolarHBondContact OD1-N 3.11Å; D461-G464 WeakPolarHBondContact O-CA 3.27Å; D461-G464 PolarHBondContact O-N 3.43Å; D461-G464 PolarHBondContact OD1-N 2.81Å; D461-R465 PolarHBondContact N-O 3.06Å; D461-R465 PolarHBondContact OD1-N 3.25Å; D461-R465 IonicContact OD1-NE 3.56Å; D461-R465 IonicContact OD2-CZ 3.95Å; D461-R465 VanDerWaalsContact OD2-CZ 3.31Å; D461-R465 IonicContact OD2-NE 2.88Å; D461-R465 PolarHBondContact OD2-NE 2.69Å; D461-R465 IonicContact OD2-NH2 3.67Å; D461-R465 PolarHBondContact OD2-NH2 2.99Å; D461-T467 HydrophobicContact CB-CG2 4.17Å
462	H	92.3	Very high	94.3	Very high	126 Å²	126	54.9 Å²	54.9	58%	0.583	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-14.2	179.6	58.6	-72.3	0	0	0	114	Y455 G464	Y455-H462 HydrophobicContact CE2-CB 4.06Å; H462-G464 VanDerWaalsContact C-N 3.33Å
463	Y	91	Very high	94.4	Very high	167 Å²	167	54.9 Å²	54.9	66%	0.655	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	0.8	170.4	-58.3	-69.1	0	0	0	112.2	D461 R465	D461-Y463 PolarHBondContact O-N 3.47Å; D461-Y463 VanDerWaalsContact OD1-C 3.3Å; D461-Y463 VanDerWaalsContact OD1-CA 3.32Å; D461-Y463 WeakPolarHBondContact OD1-CA 3.47Å; D461-Y463 WeakPolarHBondContact OD1-CB 3.35Å; D461-Y463 PolarHBondContact OD1-N 3.11Å; Y463-R465 VanDerWaalsContact C-N 3.31Å
464	G	91.1	Very high	94.5	Very high	21 Å²	21	53.8 Å²	53.8	22%	0.216	26%	0.261	C	S	.	.	S	Bend	trans	73	19.8	-177.3	0	0	0	0	0	113.8	K426 D461 H462	K426-G464 WeakPolarHBondContact CE-O 3.35Å; K426-G464 PolarHBondContact NZ-O 2.9Å; D461-G464 WeakPolarHBondContact O-CA 3.27Å; D461-G464 PolarHBondContact O-N 3.43Å; D461-G464 PolarHBondContact OD1-N 2.81Å; H462-G464 VanDerWaalsContact C-N 3.33Å
465	R	93.9	Very high	94.4	Very high	136 Å²	136	54 Å²	54	51%	0.513	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-88	153.6	173.4	-58.3	176.8	-61.8	-178	5	109.9	L460 D461 Y463 T467	L460-R465 CarbonylContact C-O 3.59Å; L460-R465 WeakPolarHBondContact CA-O 3.46Å; D461-R465 PolarHBondContact N-O 3.06Å; D461-R465 PolarHBondContact OD1-N 3.25Å; D461-R465 IonicContact OD1-NE 3.56Å; D461-R465 IonicContact OD2-CZ 3.95Å; D461-R465 VanDerWaalsContact OD2-CZ 3.31Å; D461-R465 IonicContact OD2-NE 2.88Å; D461-R465 PolarHBondContact OD2-NE 2.69Å; D461-R465 IonicContact OD2-NH2 3.67Å; D461-R465 PolarHBondContact OD2-NH2 2.99Å; Y463-R465 VanDerWaalsContact C-N 3.31Å; R465-T467 PolarHBondContact O-N 3.44Å
466	L	95.1	Very high	94.2	Very high	39 Å²	39	50.3 Å²	50.3	20%	0.204	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-65	131.2	177.4	-163.6	71.4	0	0	0	110.3	L423 K426 A427 L460 M472	L423-L466 HydrophobicContact CD1-CD1 3.45Å; L423-L466 VanDerWaalsContact CD1-CD1 3.45Å; K426-L466 HydrophobicContact CB-CB 4.48Å; K426-L466 HydrophobicContact CB-CD1 4.25Å; A427-L466 HydrophobicContact CB-CD2 3.85Å; L460-L466 HydrophobicContact CD2-CD1 4.19Å; L466-M472 HydrophobicContact CD2-CB 4.22Å; L466-M472 HydrophobicContact CD2-SD 3.69Å
467	T	96.4	Very high	94.1	Very high	32 Å²	32	50.1 Å²	50.1	20%	0.196	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-77.8	144.8	176	58.6	0	0	0	0	111	G458 G459 L460 D461 R465 G471 M472	G458-T467 WeakPolarHBondContact O-CG2 3.44Å; G458-T467 PolarHBondContact O-OG1 3.41Å; G459-T467 PolarHBondContact O-N 2.94Å; G459-T467 PolarHBondContact O-OG1 3.33Å; L460-T467 VanDerWaalsContact C-CG2 3.47Å; D461-T467 HydrophobicContact CB-CG2 4.17Å; R465-T467 PolarHBondContact O-N 3.44Å; T467-G471 CarbonylContact O-C 3.48Å; T467-G471 VanDerWaalsContact O-CA 3.28Å; T467-G471 WeakPolarHBondContact O-CA 3.28Å; T467-G471 PolarHBondContact O-N 3.01Å; T467-G471 WeakPolarHBondContact OG1-CA 3.28Å; T467-G471 PolarHBondContact OG1-N 3.29Å; T467-M472 PolarHBondContact O-N 3.02Å
468	D	92.6	Very high	93.8	Very high	144 Å²	144	50.7 Å²	50.7	77%	0.77	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	123.1	175.1	-173.7	12.8	0	0	0	108.3
469	P	93.2	Very high	93.7	Very high	57 Å²	57	50.2 Å²	50.2	37%	0.37	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	cis	-94.8	-9.8	8	37.1	-35.9	0	0	0	116	R473	P469-R473 HydrophobicContact CB-CG 4.46Å; P469-R473 VanDerWaalsContact O-CB 3.3Å; P469-R473 WeakPolarHBondContact O-CB 3.45Å; P469-R473 WeakPolarHBondContact O-CD 3.32Å; P469-R473 WeakPolarHBondContact O-CG 3.5Å; P469-R473 PolarHBondContact O-N 3.42Å
470	L	94.8	Very high	93.5	Very high	38 Å²	38	51.8 Å²	51.8	20%	0.199	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-58.4	-169.2	179.7	60.2	0	0	0	112.5	G458 M472 R473 M474 K485 L488	G458-L470 WeakPolarHBondContact O-CD2 3.43Å; L470-M472 PolarHBondContact O-N 3.1Å; L470-R473 PolarHBondContact O-N 3.37Å; L470-M474 HydrophobicContact CD1-CG 4.13Å; L470-M474 HydrophobicContact CD1-SD 3.97Å; L470-M474 HydrophobicContact CG-CG 4.47Å; L470-M474 HydrophobicContact CG-SD 3.85Å; L470-M474 WeakPolarHBondContact O-CB 3.36Å; L470-M474 VanDerWaalsContact O-CG 3.23Å; L470-M474 WeakPolarHBondContact O-CG 3.4Å; L470-M474 PolarHBondContact O-N 2.91Å; L470-K485 HydrophobicContact CD1-CD 4.16Å; L470-K485 HydrophobicContact CD2-CD 4.29Å; L470-L488 HydrophobicContact CD1-CB 4.32Å; L470-L488 HydrophobicContact CD1-CD1 3.83Å
471	G	95.5	Very high	93.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-42.7	-178.6	0	0	0	0	0	113.4	G459 T467 M474 A475	G459-G471 WeakPolarHBondContact O-CA 3.05Å; T467-G471 CarbonylContact O-C 3.48Å; T467-G471 VanDerWaalsContact O-CA 3.28Å; T467-G471 WeakPolarHBondContact O-CA 3.28Å; T467-G471 PolarHBondContact O-N 3.01Å; T467-G471 WeakPolarHBondContact OG1-CA 3.28Å; T467-G471 PolarHBondContact OG1-N 3.29Å; G471-M474 PolarHBondContact O-N 3.35Å; G471-A475 PolarHBondContact O-N 3.49Å
472	M	93.7	Very high	93.5	Very high	79 Å²	79	51.1 Å²	51.1	39%	0.389	25%	0.25	S	S	.	.	H	α-helix	trans	-61.1	-46.9	176.4	-167.4	64.4	178.7	0	0	111.8	A427 L466 T467 L470 M474 A475 E476	A427-M472 HydrophobicContact CB-SD 4.34Å; L466-M472 HydrophobicContact CD2-CB 4.22Å; L466-M472 HydrophobicContact CD2-SD 3.69Å; T467-M472 PolarHBondContact O-N 3.02Å; L470-M472 PolarHBondContact O-N 3.1Å; M472-M474 PolarHBondContact O-N 2.93Å; M472-A475 PolarHBondContact O-N 3.3Å; M472-E476 PolarHBondContact O-N 3.02Å
473	R	95.1	Very high	93.7	Very high	86 Å²	86	46 Å²	46	33%	0.325	23%	0.226	S	C	.	.	H	α-helix	trans	-65.5	-39	176.5	-69.2	173	-178.5	175	13.2	112	P469 L470 A475 E476 F477 L488 F583	P469-R473 HydrophobicContact CB-CG 4.46Å; P469-R473 VanDerWaalsContact O-CB 3.3Å; P469-R473 WeakPolarHBondContact O-CB 3.45Å; P469-R473 WeakPolarHBondContact O-CD 3.32Å; P469-R473 WeakPolarHBondContact O-CG 3.5Å; P469-R473 PolarHBondContact O-N 3.42Å; L470-R473 PolarHBondContact O-N 3.37Å; R473-A475 VanDerWaalsContact C-N 3.31Å; R473-A475 PolarHBondContact O-N 3.09Å; R473-E476 PolarHBondContact O-N 3.4Å; R473-F477 VanDerWaalsContact O-CD2 3.24Å; R473-F477 WeakPolarHBondContact O-CD2 3.37Å; R473-L488 HydrophobicContact CB-CD1 3.83Å; R473-L488 HydrophobicContact CB-CD2 4.04Å; R473-F583 HydrophobicContact CB-CD1 4.37Å; R473-F583 HydrophobicContact CB-CD2 4.17Å; R473-F583 HydrophobicContact CB-CE1 4.45Å; R473-F583 HydrophobicContact CB-CE2 4.24Å; R473-F583 HydrophobicContact CB-CG 4.25Å; R473-F583 HydrophobicContact CB-CZ 4.39Å; R473-F583 HydrophobicContact CG-CB 4.38Å; R473-F583 HydrophobicContact CG-CD1 3.69Å; R473-F583 HydrophobicContact CG-CD2 4.29Å; R473-F583 HydrophobicContact CG-CE1 4.01Å; R473-F583 HydrophobicContact CG-CG 3.86Å; R473-F583 HydrophobicContact CG-CZ 4.45Å; R473-F583 PolarHBondContact NH1-O 3.45Å
474	M	95.8	Very high	94	Very high	2 Å²	2	38 Å²	38	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-42	176.2	-74.3	172	64.3	0	0	111.6	L423 L457 L470 G471 M472 E476 F477 P481 A484 K485 L488	L423-M474 HydrophobicContact CD2-CB 3.93Å; L457-M474 HydrophobicContact CB-CE 4.05Å; L457-M474 HydrophobicContact CD1-CE 4.28Å; L470-M474 HydrophobicContact CD1-CG 4.13Å; L470-M474 HydrophobicContact CD1-SD 3.97Å; L470-M474 HydrophobicContact CG-CG 4.47Å; L470-M474 HydrophobicContact CG-SD 3.85Å; L470-M474 WeakPolarHBondContact O-CB 3.36Å; L470-M474 VanDerWaalsContact O-CG 3.23Å; L470-M474 WeakPolarHBondContact O-CG 3.4Å; L470-M474 PolarHBondContact O-N 2.91Å; G471-M474 PolarHBondContact O-N 3.35Å; M472-M474 PolarHBondContact O-N 2.93Å; M474-E476 VanDerWaalsContact C-N 3.29Å; M474-E476 PolarHBondContact O-N 3.26Å; M474-F477 PolarHBondContact O-N 3.42Å; M474-P481 HydrophobicContact CE-CB 3.85Å; M474-P481 WeakPolarHBondContact CE-O 3.16Å; M474-A484 HydrophobicContact CB-CB 4.15Å; M474-A484 HydrophobicContact CG-CB 4.16Å; M474-K485 HydrophobicContact CE-CB 4.3Å; M474-L488 HydrophobicContact CB-CD1 4.47Å; M474-L488 HydrophobicContact CG-CD1 3.62Å
475	A	94.1	Very high	94.3	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.033	19%	0.191	C	C	.	.	H	α-helix	trans	-64.7	-31.7	-179.1	0	0	0	0	0	113.1	M153 L423 A427 G471 M472 R473 F477	M153-A475 HydrophobicContact CE-CB 3.82Å; M153-A475 WeakPolarHBondContact CE-O 3.5Å; L423-A475 HydrophobicContact CD1-CB 4.34Å; L423-A475 HydrophobicContact CD2-CB 4.33Å; L423-A475 HydrophobicContact CG-CB 3.86Å; A427-A475 HydrophobicContact CB-CB 3.54Å; G471-A475 PolarHBondContact O-N 3.49Å; M472-A475 PolarHBondContact O-N 3.3Å; R473-A475 VanDerWaalsContact C-N 3.31Å; R473-A475 PolarHBondContact O-N 3.09Å; A475-F477 VanDerWaalsContact C-N 3.34Å
476	E	91.3	Very high	94.4	Very high	51 Å²	51	31.9 Å²	31.9	24%	0.238	17%	0.166	C	C	.	.	H	α-helix	trans	-73.8	-22	179.3	-75.6	-162.5	-153.1	0	0	114	R150 M472 R473 M474 K582 F583	R150-E476 PolarHBondContact NH2-O 2.95Å; M472-E476 PolarHBondContact O-N 3.02Å; R473-E476 PolarHBondContact O-N 3.4Å; M474-E476 VanDerWaalsContact C-N 3.29Å; M474-E476 PolarHBondContact O-N 3.26Å; E476-K582 IonicContact OE1-NZ 2.81Å; E476-K582 PolarHBondContact OE1-NZ 3.28Å; E476-K582 IonicContact OE2-NZ 2.73Å; E476-K582 PolarHBondContact OE2-NZ 3.08Å; E476-F583 HydrophobicContact CB-CE2 4.4Å; E476-F583 HydrophobicContact CB-CZ 3.66Å; E476-F583 HydrophobicContact CG-CZ 4.22Å; E476-F583 WeakPolarHBondContact OE2-CE1 3.37Å; E476-F583 VanDerWaalsContact OE2-CZ 3.25Å; E476-F583 WeakPolarHBondContact OE2-CZ 3.44Å
477	F	92.4	Very high	94.6	Very high	4 Å²	4	30 Å²	30	2%	0.018	16%	0.156	C	C	.	.	S	Bend	trans	-69.2	132.9	176.2	-82.6	-77.5	0	0	0	110.5	R473 M474 A475 L479 A484 L487 L488 L576 L579 M580 F583	R473-F477 VanDerWaalsContact O-CD2 3.24Å; R473-F477 WeakPolarHBondContact O-CD2 3.37Å; M474-F477 PolarHBondContact O-N 3.42Å; A475-F477 VanDerWaalsContact C-N 3.34Å; F477-L479 HydrophobicContact CB-CB 4.45Å; F477-L479 HydrophobicContact CD1-CD1 4.46Å; F477-L479 PolarHBondContact O-N 3.35Å; F477-A484 HydrophobicContact CB-CB 3.88Å; F477-A484 HydrophobicContact CD2-CB 4Å; F477-A484 HydrophobicContact CG-CB 4.17Å; F477-L487 HydrophobicContact CD1-CD1 4.14Å; F477-L487 HydrophobicContact CE1-CD1 4Å; F477-L487 HydrophobicContact CZ-CB 4.38Å; F477-L488 HydrophobicContact CD2-CD1 4.46Å; F477-L488 HydrophobicContact CE2-CD1 4.08Å; F477-L488 HydrophobicContact CE2-CD2 3.77Å; F477-L488 HydrophobicContact CE2-CG 3.74Å; F477-L488 HydrophobicContact CZ-CD2 4.38Å; F477-L576 HydrophobicContact CD1-CD2 4.05Å; F477-L576 HydrophobicContact CE1-CD2 4.39Å; F477-L579 HydrophobicContact CD1-CB 4.32Å; F477-L579 HydrophobicContact CD1-CD1 3.91Å; F477-L579 HydrophobicContact CE1-CB 3.75Å; F477-L579 HydrophobicContact CE1-CD1 4.17Å; F477-L579 HydrophobicContact CZ-CB 4.22Å; F477-M580 HydrophobicContact CE1-CG 4.39Å; F477-M580 HydrophobicContact CZ-CG 4.18Å; F477-F583 AromaticContact CD2-CE2 4Å; F477-F583 HydrophobicContact CD2-CE2 4Å; F477-F583 AromaticContact CE2-CD2 3.59Å; F477-F583 HydrophobicContact CE2-CD2 3.59Å; F477-F583 AromaticContact CE2-CE2 3.48Å; F477-F583 HydrophobicContact CE2-CE2 3.48Å; F477-F583 VanDerWaalsContact CE2-CE2 3.48Å; F477-F583 AromaticContact CZ-CD2 3.74Å; F477-F583 HydrophobicContact CZ-CD2 3.74Å; F477-F583 AromaticContact CZ-CE2 3.8Å; F477-F583 HydrophobicContact CZ-CE2 3.8Å
478	P	90.1	Very high	94.6	Very high	14 Å²	14	29.3 Å²	29.3	9%	0.091	15%	0.151	C	C	.	.	S	Bend	trans	-83.1	60.5	173.1	36.7	-33.2	0	0	0	108	R128 F129 L579	R128-P478 HydrophobicContact CG-CB 4.28Å; R128-P478 PolarHBondContact NE-O 3.05Å; R128-P478 PolarHBondContact NH2-O 3.41Å; F129-P478 HydrophobicContact CD1-CG 4.47Å; F129-P478 HydrophobicContact CE1-CB 4.44Å; F129-P478 HydrophobicContact CE1-CG 3.57Å; F129-P478 HydrophobicContact CZ-CB 4.41Å; F129-P478 HydrophobicContact CZ-CG 3.88Å; P478-L579 HydrophobicContact CG-CD1 4.45Å
479	L	91.9	Very high	94.7	Very high	17 Å²	17	24.3 Å²	24.3	9%	0.089	12%	0.123	C	C	.	.	S	Bend	trans	-148.2	171.2	-176.7	-67	173.4	0	0	0	109.9	F129 F477 F483 L487 Q507 L576	F129-L479 HydrophobicContact CZ-CD2 4.18Å; F477-L479 HydrophobicContact CB-CB 4.45Å; F477-L479 HydrophobicContact CD1-CD1 4.46Å; F477-L479 PolarHBondContact O-N 3.35Å; L479-F483 HydrophobicContact CB-CB 3.94Å; L479-F483 HydrophobicContact CD1-CB 4.13Å; L479-L487 HydrophobicContact CD1-CD1 3.26Å; L479-Q507 HydrophobicContact CD2-CG 3.67Å; L479-L576 HydrophobicContact CD1-CD1 3.94Å; L479-L576 HydrophobicContact CD1-CD2 3.6Å; L479-L576 HydrophobicContact CD1-CG 4.45Å; L479-L576 HydrophobicContact CG-CD2 4.14Å
480	S	92.3	Very high	94.9	Very high	33 Å²	33	21.6 Å²	21.6	23%	0.231	11%	0.106	C	C	.	.			trans	-66.1	154.5	170.3	76.7	0	0	0	0	110.3	M482 F483 A484	S480-M482 PolarHBondContact O-N 3.35Å; S480-M482 VanDerWaalsContact O-N 3.17Å; S480-F483 PolarHBondContact O-N 2.96Å; S480-F483 VanDerWaalsContact O-N 3.14Å; S480-F483 VanDerWaalsContact OG-CD2 3.28Å; S480-F483 WeakPolarHBondContact OG-CD2 3.37Å; S480-F483 PolarHBondContact OG-N 2.68Å; S480-A484 PolarHBondContact O-N 3.47Å
481	P	95.9	Very high	94.8	Very high	4 Å²	4	20.2 Å²	20.2	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-53.9	-35.4	177.1	-29.3	35.8	0	0	0	113.7	A419 P420 L423 L454 L457 M474 A484 K485	A419-P481 HydrophobicContact CB-CG 4.29Å; P420-P481 HydrophobicContact CG-CG 4.49Å; L423-P481 HydrophobicContact CD2-CB 4.3Å; L423-P481 HydrophobicContact CD2-CG 4.03Å; L454-P481 HydrophobicContact CD2-CB 3.79Å; L454-P481 HydrophobicContact CD2-CG 3.73Å; L457-P481 HydrophobicContact CD1-CB 3.62Å; M474-P481 HydrophobicContact CE-CB 3.85Å; M474-P481 WeakPolarHBondContact CE-O 3.16Å; P481-A484 PolarHBondContact O-N 2.96Å; P481-K485 WeakPolarHBondContact O-CB 3.43Å; P481-K485 PolarHBondContact O-N 3.02Å
482	M	95.8	Very high	94.8	Very high	19 Å²	19	26.4 Å²	26.4	9%	0.094	13%	0.134	C	C	.	.	H	α-helix	trans	-64.8	-46.9	177.8	-65.5	-176.4	-69.5	0	0	112	L457 S480 A484 K485 M486 G604 F605	L457-M482 HydrophobicContact CD1-CG 4.14Å; L457-M482 HydrophobicContact CD2-CG 4.28Å; S480-M482 PolarHBondContact O-N 3.35Å; S480-M482 VanDerWaalsContact O-N 3.17Å; M482-A484 PolarHBondContact O-N 2.92Å; M482-K485 PolarHBondContact O-N 2.85Å; M482-M486 WeakPolarHBondContact O-CB 3.04Å; M482-M486 PolarHBondContact O-N 3.47Å; M482-G604 VanDerWaalsContact CB-O 3.26Å; M482-G604 WeakPolarHBondContact CB-O 3.15Å; M482-G604 VanDerWaalsContact CG-O 3.31Å; M482-G604 WeakPolarHBondContact CG-O 3.44Å; M482-F605 HydrophobicContact CB-CD1 4.33Å; M482-F605 HydrophobicContact CB-CE1 4.11Å; M482-F605 HydrophobicContact CB-CE2 4.42Å; M482-F605 HydrophobicContact CB-CZ 4.15Å; M482-F605 HydrophobicContact CE-CD1 4.49Å; M482-F605 HydrophobicContact CE-CE1 4.25Å; M482-F605 HydrophobicContact SD-CD1 4.16Å; M482-F605 HydrophobicContact SD-CE1 4.41Å
483	F	96.6	Very high	94.8	Very high	19 Å²	19	25.3 Å²	25.3	8%	0.083	13%	0.127	C	C	.	.	H	α-helix	trans	-64.8	-38.8	174.4	-82.5	-64.5	0	0	0	112.2	L479 S480 M486 L487 A503 M506 F605	L479-F483 HydrophobicContact CB-CB 3.94Å; L479-F483 HydrophobicContact CD1-CB 4.13Å; S480-F483 PolarHBondContact O-N 2.96Å; S480-F483 VanDerWaalsContact O-N 3.14Å; S480-F483 VanDerWaalsContact OG-CD2 3.28Å; S480-F483 WeakPolarHBondContact OG-CD2 3.37Å; S480-F483 PolarHBondContact OG-N 2.68Å; F483-M486 HydrophobicContact CD1-CE 3.59Å; F483-M486 HydrophobicContact CE1-CE 4.03Å; F483-M486 PolarHBondContact O-N 3.17Å; F483-L487 WeakPolarHBondContact O-CG 3.35Å; F483-L487 PolarHBondContact O-N 3.49Å; F483-A503 HydrophobicContact CD1-CB 4.31Å; F483-M506 HydrophobicContact CE1-CB 3.87Å; F483-M506 HydrophobicContact CE1-CG 4.11Å; F483-M506 HydrophobicContact CZ-CB 3.65Å; F483-M506 HydrophobicContact CZ-CG 4.13Å; F483-F605 AromaticContact CD1-CE2 3.92Å; F483-F605 HydrophobicContact CD1-CE2 3.92Å; F483-F605 AromaticContact CD1-CZ 3.79Å; F483-F605 HydrophobicContact CD1-CZ 3.79Å; F483-F605 AromaticContact CD2-CZ 3.98Å; F483-F605 HydrophobicContact CD2-CZ 3.98Å; F483-F605 AromaticContact CE1-CE2 3.92Å; F483-F605 HydrophobicContact CE1-CE2 3.92Å; F483-F605 AromaticContact CE1-CZ 3.61Å; F483-F605 HydrophobicContact CE1-CZ 3.61Å; F483-F605 AromaticContact CE2-CZ 3.8Å; F483-F605 HydrophobicContact CE2-CZ 3.8Å; F483-F605 HydrophobicContact CG-CE2 4.35Å; F483-F605 AromaticContact CG-CZ 3.95Å; F483-F605 HydrophobicContact CG-CZ 3.95Å; F483-F605 HydrophobicContact CZ-CE1 4.48Å; F483-F605 HydrophobicContact CZ-CE2 4.37Å; F483-F605 AromaticContact CZ-CZ 3.6Å; F483-F605 HydrophobicContact CZ-CZ 3.6Å
484	A	96.7	Very high	94.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.1	-43.1	177.5	0	0	0	0	0	111.6	M474 F477 S480 P481 M482 L487 L488	M474-A484 HydrophobicContact CB-CB 4.15Å; M474-A484 HydrophobicContact CG-CB 4.16Å; F477-A484 HydrophobicContact CB-CB 3.88Å; F477-A484 HydrophobicContact CD2-CB 4Å; F477-A484 HydrophobicContact CG-CB 4.17Å; S480-A484 PolarHBondContact O-N 3.47Å; P481-A484 PolarHBondContact O-N 2.96Å; M482-A484 PolarHBondContact O-N 2.92Å; A484-L487 PolarHBondContact O-N 3.42Å; A484-L488 WeakPolarHBondContact O-CG 3.45Å; A484-L488 PolarHBondContact O-N 3.39Å
485	K	97.1	Very high	94.9	Very high	28 Å²	28	21.7 Å²	21.7	12%	0.122	12%	0.117	C	C	.	.	H	α-helix	trans	-60.4	-49	174	178.3	60.6	174.4	176.7	0	111.3	L457 L470 M474 P481 M482 L487 L488 E489	L457-K485 HydrophobicContact CD2-CB 4.23Å; L457-K485 HydrophobicContact CD2-CG 4.2Å; L457-K485 WeakPolarHBondContact O-CD 3.41Å; L457-K485 WeakPolarHBondContact O-CE 3.41Å; L470-K485 HydrophobicContact CD1-CD 4.16Å; L470-K485 HydrophobicContact CD2-CD 4.29Å; M474-K485 HydrophobicContact CE-CB 4.3Å; P481-K485 WeakPolarHBondContact O-CB 3.43Å; P481-K485 PolarHBondContact O-N 3.02Å; M482-K485 PolarHBondContact O-N 2.85Å; K485-L487 VanDerWaalsContact C-N 3.33Å; K485-L487 PolarHBondContact O-N 3.46Å; K485-L488 PolarHBondContact O-N 2.99Å; K485-E489 HydrophobicContact CD-CG 3.87Å; K485-E489 HydrophobicContact CG-CG 4.47Å; K485-E489 IonicContact NZ-OE1 3.67Å; K485-E489 PolarHBondContact NZ-OE1 3.03Å; K485-E489 WeakPolarHBondContact O-CG 3.41Å; K485-E489 PolarHBondContact O-N 3.38Å
486	M	97.2	Very high	95	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-55.2	-45.9	176.7	-176.7	-177	76.1	0	0	112.1	M482 F483 S490 I499 A503 C600 I601 F605	M482-M486 WeakPolarHBondContact O-CB 3.04Å; M482-M486 PolarHBondContact O-N 3.47Å; F483-M486 HydrophobicContact CD1-CE 3.59Å; F483-M486 HydrophobicContact CE1-CE 4.03Å; F483-M486 PolarHBondContact O-N 3.17Å; M486-S490 WeakPolarHBondContact O-CB 3.46Å; M486-S490 PolarHBondContact O-N 3.11Å; M486-S490 VanDerWaalsContact O-N 3.11Å; M486-I499 HydrophobicContact CE-CG2 3.91Å; M486-I499 HydrophobicContact CG-CD1 4.29Å; M486-I499 HydrophobicContact CG-CG2 3.75Å; M486-I499 HydrophobicContact SD-CD1 4.35Å; M486-I499 HydrophobicContact SD-CG2 4.31Å; M486-A503 HydrophobicContact CE-CB 3.84Å; M486-C600 PolarHBondContact O-SG 3.17Å; M486-C600 VanDerWaalsContact O-SG 3.38Å; M486-I601 HydrophobicContact SD-CB 4.36Å; M486-I601 HydrophobicContact SD-CG1 3.93Å; M486-F605 HydrophobicContact SD-CD2 4.24Å; M486-F605 HydrophobicContact SD-CE2 3.92Å
487	L	97.5	Very high	95.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.3	-41	178.4	-75	164.5	0	0	0	112.8	F477 L479 F483 A484 K485 S490 I499 V500 A503 L576 M580	F477-L487 HydrophobicContact CD1-CD1 4.14Å; F477-L487 HydrophobicContact CE1-CD1 4Å; F477-L487 HydrophobicContact CZ-CB 4.38Å; L479-L487 HydrophobicContact CD1-CD1 3.26Å; F483-L487 WeakPolarHBondContact O-CG 3.35Å; F483-L487 PolarHBondContact O-N 3.49Å; A484-L487 PolarHBondContact O-N 3.42Å; K485-L487 VanDerWaalsContact C-N 3.33Å; K485-L487 PolarHBondContact O-N 3.46Å; L487-S490 PolarHBondContact O-OG 3.29Å; L487-I499 HydrophobicContact CD2-CG2 4.08Å; L487-V500 HydrophobicContact CD2-CB 4.16Å; L487-V500 HydrophobicContact CD2-CG2 4.31Å; L487-A503 HydrophobicContact CD1-CB 4.17Å; L487-A503 HydrophobicContact CD2-CB 3.87Å; L487-A503 HydrophobicContact CG-CB 4.14Å; L487-L576 HydrophobicContact CD1-CD1 4.32Å; L487-L576 HydrophobicContact CD1-CD2 4.41Å; L487-M580 HydrophobicContact CD2-CE 4.39Å; L487-M580 HydrophobicContact CD2-SD 3.75Å
488	L	96.4	Very high	95.5	Very high	17 Å²	17	24.6 Å²	24.6	9%	0.089	13%	0.129	C	C	.	.	H	α-helix	trans	-69.6	-39.2	-179.2	-74.1	168.8	0	0	0	112.3	L470 R473 M474 F477 A484 K485 S490 F583 V585	L470-L488 HydrophobicContact CD1-CB 4.32Å; L470-L488 HydrophobicContact CD1-CD1 3.83Å; R473-L488 HydrophobicContact CB-CD1 3.83Å; R473-L488 HydrophobicContact CB-CD2 4.04Å; M474-L488 HydrophobicContact CB-CD1 4.47Å; M474-L488 HydrophobicContact CG-CD1 3.62Å; F477-L488 HydrophobicContact CD2-CD1 4.46Å; F477-L488 HydrophobicContact CE2-CD1 4.08Å; F477-L488 HydrophobicContact CE2-CD2 3.77Å; F477-L488 HydrophobicContact CE2-CG 3.74Å; F477-L488 HydrophobicContact CZ-CD2 4.38Å; A484-L488 WeakPolarHBondContact O-CG 3.45Å; A484-L488 PolarHBondContact O-N 3.39Å; K485-L488 PolarHBondContact O-N 2.99Å; L488-S490 VanDerWaalsContact C-N 3.34Å; L488-F583 HydrophobicContact CD2-CB 4.34Å; L488-F583 HydrophobicContact CD2-CD2 4.11Å; L488-V585 HydrophobicContact CD2-CG2 4.03Å
489	E	95.8	Very high	95.8	Very high	39 Å²	39	24 Å²	24	18%	0.182	12%	0.124	C	C	.	.	H	α-helix	trans	-75.5	-21.5	178.1	-68.9	-57.8	151.2	0	0	113.5	K485 G491 N492 F493	K485-E489 HydrophobicContact CD-CG 3.87Å; K485-E489 HydrophobicContact CG-CG 4.47Å; K485-E489 IonicContact NZ-OE1 3.67Å; K485-E489 PolarHBondContact NZ-OE1 3.03Å; K485-E489 WeakPolarHBondContact O-CG 3.41Å; K485-E489 PolarHBondContact O-N 3.38Å; E489-G491 PolarHBondContact O-N 2.96Å; E489-N492 WeakPolarHBondContact O-CB 3.36Å; E489-N492 PolarHBondContact O-N 3.4Å; E489-N492 PolarHBondContact OE2-ND2 2.68Å; E489-F493 HydrophobicContact CB-CD2 4.26Å; E489-F493 HydrophobicContact CB-CE2 4.13Å; E489-F493 WeakPolarHBondContact O-CD2 3.38Å; E489-F493 PolarHBondContact O-N 2.81Å
490	S	96.9	Very high	96.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-56.5	-26.4	-177.3	71.2	0	0	0	0	115	M486 L487 L488 G494 C495 S496 M580 C600	M486-S490 WeakPolarHBondContact O-CB 3.46Å; M486-S490 PolarHBondContact O-N 3.11Å; M486-S490 VanDerWaalsContact O-N 3.11Å; L487-S490 PolarHBondContact O-OG 3.29Å; L488-S490 VanDerWaalsContact C-N 3.34Å; S490-G494 PolarHBondContact O-N 3.04Å; S490-G494 VanDerWaalsContact O-N 3.07Å; S490-C495 PolarHBondContact O-N 2.92Å; S490-C495 VanDerWaalsContact O-N 3.1Å; S490-S496 PolarHBondContact O-N 2.86Å; S490-S496 WeakPolarHBondContact OG-CA 3.28Å; S490-M580 WeakPolarHBondContact OG-CE 3.5Å; S490-C600 VanDerWaalsContact CA-SG 3.5Å
491	G	93.9	Very high	96.4	Very high	9 Å²	9	22 Å²	22	9%	0.093	11%	0.112	C	C	.	.	H	α-helix	trans	-67.8	-34.7	173.7	0	0	0	0	0	113.1	E489 G494	E489-G491 PolarHBondContact O-N 2.96Å; G491-G494 PolarHBondContact O-N 3.2Å
492	N	93.8	Very high	96.4	Very high	130 Å²	130	21.9 Å²	21.9	70%	0.695	11%	0.111	S	C	*	.	H	α-helix	trans	-74.6	-36.4	179.4	-62.3	-25.6	0	0	0	111.5	E489 G494	E489-N492 WeakPolarHBondContact O-CB 3.36Å; E489-N492 PolarHBondContact O-N 3.4Å; E489-N492 PolarHBondContact OE2-ND2 2.68Å; N492-G494 VanDerWaalsContact C-N 3.34Å
493	F	94.4	Very high	96.5	Very high	55 Å²	55	21 Å²	21	24%	0.241	11%	0.106	C	C	.	.	H	α-helix	trans	-75.2	-23.4	174.7	-74.6	-77.5	0	0	0	113.1	E489 V596 K599 C600 L671	E489-F493 HydrophobicContact CB-CD2 4.26Å; E489-F493 HydrophobicContact CB-CE2 4.13Å; E489-F493 WeakPolarHBondContact O-CD2 3.38Å; E489-F493 PolarHBondContact O-N 2.81Å; F493-V596 HydrophobicContact CB-CG1 3.97Å; F493-V596 WeakPolarHBondContact O-CG1 3.43Å; F493-K599 HydrophobicContact CD1-CB 4.14Å; F493-K599 HydrophobicContact CE1-CB 3.75Å; F493-K599 HydrophobicContact CZ-CB 4.46Å; F493-C600 HydrophobicContact CB-CB 4.14Å; F493-C600 HydrophobicContact CD2-CB 3.77Å; F493-C600 HydrophobicContact CE2-CB 4.36Å; F493-C600 HydrophobicContact CG-CB 3.94Å; F493-L671 HydrophobicContact CE1-CD2 4.07Å; F493-L671 HydrophobicContact CZ-CD1 4.27Å; F493-L671 HydrophobicContact CZ-CD2 3.65Å
494	G	95.3	Very high	96.5	Very high	12 Å²	12	20 Å²	20	12%	0.124	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	10.1	-177.5	0	0	0	0	0	114.7	S490 G491 N492 N588 S589 S590	S490-G494 PolarHBondContact O-N 3.04Å; S490-G494 VanDerWaalsContact O-N 3.07Å; G491-G494 PolarHBondContact O-N 3.2Å; N492-G494 VanDerWaalsContact C-N 3.34Å; G494-N588 CarbonylContact O-C 3.07Å; G494-N588 WeakPolarHBondContact O-CB 3.49Å; G494-S589 CarbonylContact O-C 2.94Å; G494-S589 WeakPolarHBondContact O-CA 3.42Å; G494-S589 PolarHBondContact O-N 3.42Å; G494-S589 VanDerWaalsContact O-N 3.07Å; G494-S590 PolarHBondContact O-N 3.15Å
495	C	97	Very high	96.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.			trans	-116.4	27.6	-174.4	58.7	0	0	0	0	114	S490 K497 E498 I499 V596 I597 C600	S490-C495 PolarHBondContact O-N 2.92Å; S490-C495 VanDerWaalsContact O-N 3.1Å; C495-K497 VanDerWaalsContact C-N 3.27Å; C495-K497 PolarHBondContact O-N 3.39Å; C495-E498 VanDerWaalsContact CA-OE2 3.31Å; C495-E498 WeakPolarHBondContact CA-OE2 3.23Å; C495-E498 PolarHBondContact O-N 3.25Å; C495-E498 VanDerWaalsContact O-OE2 3.07Å; C495-I499 HydrophobicContact CB-CG1 4.32Å; C495-I499 WeakPolarHBondContact O-CB 3.21Å; C495-I499 VanDerWaalsContact O-CG1 3.25Å; C495-I499 WeakPolarHBondContact O-CG1 3.47Å; C495-I499 PolarHBondContact O-N 3.36Å; C495-I499 VanDerWaalsContact SG-CG1 3.58Å; C495-V596 HydrophobicContact CB-CG1 3.88Å; C495-I597 HydrophobicContact CB-CG1 4.02Å; C495-C600 WeakPolarHBondContact SG-CB 3.41Å
496	S	96.6	Very high	96.3	Very high	5 Å²	5	20.1 Å²	20.1	4%	0.035	10%	0.103	C	C	.	.	H	α-helix	trans	-58.3	-31.7	-174.6	69.8	0	0	0	0	114.9	S490 V500 A586 R587 N588	S490-S496 PolarHBondContact O-N 2.86Å; S490-S496 WeakPolarHBondContact OG-CA 3.28Å; S496-V500 WeakPolarHBondContact O-CB 3.47Å; S496-V500 WeakPolarHBondContact O-CG1 3.27Å; S496-V500 PolarHBondContact O-N 3.5Å; S496-V500 VanDerWaalsContact O-N 3.09Å; S496-A586 WeakPolarHBondContact CB-O 3.38Å; S496-A586 PolarHBondContact OG-O 3Å; S496-R587 WeakPolarHBondContact OG-CA 3.45Å; S496-N588 PolarHBondContact N-O 2.87Å; S496-N588 PolarHBondContact OG-N 3.1Å; S496-N588 PolarHBondContact OG-O 2.93Å
497	K	96.1	Very high	95.9	Very high	102 Å²	102	22.1 Å²	22.1	44%	0.443	11%	0.113	S	C	.	.	H	α-helix	trans	-72.3	-37.5	-178.1	-73.1	178.2	-172.5	171.1	0	111.9	C495 V500 T501 N588	C495-K497 VanDerWaalsContact C-N 3.27Å; C495-K497 PolarHBondContact O-N 3.39Å; K497-V500 WeakPolarHBondContact O-CG1 3.49Å; K497-T501 PolarHBondContact O-OG1 3.38Å; K497-N588 WeakPolarHBondContact CG-O 3.43Å; K497-N588 PolarHBondContact N-O 3.09Å; K497-N588 VanDerWaalsContact N-O 3.11Å
498	E	97.3	Very high	95.5	Very high	14 Å²	14	22.8 Å²	22.8	7%	0.065	12%	0.116	C	C	.	.	H	α-helix	trans	-75.5	-47.9	178.4	-60.9	81.4	-177.4	0	0	109.1	C495 V500 T501 I502 L540 S589 S590 I597	C495-E498 VanDerWaalsContact CA-OE2 3.31Å; C495-E498 WeakPolarHBondContact CA-OE2 3.23Å; C495-E498 PolarHBondContact O-N 3.25Å; C495-E498 VanDerWaalsContact O-OE2 3.07Å; E498-V500 PolarHBondContact O-N 3.28Å; E498-T501 CarbonylContact O-C 3.56Å; E498-T501 WeakPolarHBondContact O-CA 3.23Å; E498-T501 VanDerWaalsContact O-CB 3.28Å; E498-T501 WeakPolarHBondContact O-CB 3.49Å; E498-T501 PolarHBondContact O-N 2.84Å; E498-I502 WeakPolarHBondContact O-CG1 3.39Å; E498-I502 PolarHBondContact O-N 2.62Å; E498-L540 HydrophobicContact CB-CD1 4.36Å; E498-L540 HydrophobicContact CB-CD2 3.89Å; E498-L540 HydrophobicContact CG-CD2 3.96Å; E498-S589 VanDerWaalsContact OE1-CA 3.26Å; E498-S589 WeakPolarHBondContact OE1-CA 3.21Å; E498-S589 WeakPolarHBondContact OE1-CB 3.45Å; E498-S589 PolarHBondContact OE1-OG 3.36Å; E498-S590 PolarHBondContact OE1-N 2.92Å; E498-S590 PolarHBondContact OE2-N 3.42Å; E498-I597 HydrophobicContact CB-CD1 3.85Å; E498-I597 HydrophobicContact CB-CG1 4.19Å; E498-I597 HydrophobicContact CG-CD1 3.86Å; E498-I597 HydrophobicContact CG-CG1 4.44Å
499	I	97.9	Very high	94.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.2	-40.2	-177.7	-66.8	-68.7	0	0	0	112.6	M486 L487 C495 T501 I502 A503 I597 C600 I601	M486-I499 HydrophobicContact CE-CG2 3.91Å; M486-I499 HydrophobicContact CG-CD1 4.29Å; M486-I499 HydrophobicContact CG-CG2 3.75Å; M486-I499 HydrophobicContact SD-CD1 4.35Å; M486-I499 HydrophobicContact SD-CG2 4.31Å; L487-I499 HydrophobicContact CD2-CG2 4.08Å; C495-I499 HydrophobicContact CB-CG1 4.32Å; C495-I499 WeakPolarHBondContact O-CB 3.21Å; C495-I499 VanDerWaalsContact O-CG1 3.25Å; C495-I499 WeakPolarHBondContact O-CG1 3.47Å; C495-I499 PolarHBondContact O-N 3.36Å; C495-I499 VanDerWaalsContact SG-CG1 3.58Å; I499-T501 PolarHBondContact O-N 2.81Å; I499-I502 HydrophobicContact CD1-CD1 4.48Å; I499-I502 PolarHBondContact O-N 3.49Å; I499-A503 VanDerWaalsContact O-CB 3.28Å; I499-A503 WeakPolarHBondContact O-CB 3.34Å; I499-A503 PolarHBondContact O-N 3.15Å; I499-I597 HydrophobicContact CD1-CG2 3.84Å; I499-C600 HydrophobicContact CD1-CB 3.88Å; I499-C600 HydrophobicContact CG1-CB 4.13Å; I499-I601 HydrophobicContact CD1-CG1 4.01Å
500	V	97.7	Very high	94	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.03	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-33.7	174	72.2	0	0	0	0	111.8	L487 S496 K497 E498 S504 R573 L576 M580	L487-V500 HydrophobicContact CD2-CB 4.16Å; L487-V500 HydrophobicContact CD2-CG2 4.31Å; S496-V500 WeakPolarHBondContact O-CB 3.47Å; S496-V500 WeakPolarHBondContact O-CG1 3.27Å; S496-V500 PolarHBondContact O-N 3.5Å; S496-V500 VanDerWaalsContact O-N 3.09Å; K497-V500 WeakPolarHBondContact O-CG1 3.49Å; E498-V500 PolarHBondContact O-N 3.28Å; V500-S504 WeakPolarHBondContact O-CB 3.23Å; V500-S504 PolarHBondContact O-N 3.14Å; V500-S504 VanDerWaalsContact O-N 3.14Å; V500-S504 PolarHBondContact O-OG 2.64Å; V500-R573 HydrophobicContact CG1-CG 4.17Å; V500-R573 HydrophobicContact CG2-CG 4.18Å; V500-L576 HydrophobicContact CG2-CB 3.75Å; V500-M580 HydrophobicContact CB-SD 3.73Å; V500-M580 HydrophobicContact CG2-SD 3.68Å
501	T	97.7	Very high	93.7	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-71	-49.3	178.2	-55.2	0	0	0	0	110.4	K497 E498 I499 A503 S504 M505 L540 Y543 R573	K497-T501 PolarHBondContact O-OG1 3.38Å; E498-T501 CarbonylContact O-C 3.56Å; E498-T501 WeakPolarHBondContact O-CA 3.23Å; E498-T501 VanDerWaalsContact O-CB 3.28Å; E498-T501 WeakPolarHBondContact O-CB 3.49Å; E498-T501 PolarHBondContact O-N 2.84Å; I499-T501 PolarHBondContact O-N 2.81Å; T501-A503 PolarHBondContact O-N 3.18Å; T501-S504 WeakPolarHBondContact O-CB 3.31Å; T501-S504 PolarHBondContact O-N 3.28Å; T501-M505 WeakPolarHBondContact O-CG 3.43Å; T501-M505 PolarHBondContact O-N 3.29Å; T501-L540 HydrophobicContact CG2-CD1 3.72Å; T501-Y543 HydrophobicContact CG2-CD1 3.23Å; T501-Y543 HydrophobicContact CG2-CD2 4.04Å; T501-Y543 HydrophobicContact CG2-CE1 3.8Å; T501-Y543 HydrophobicContact CG2-CG 3.36Å; T501-R573 PolarHBondContact OG1-NE 2.85Å
502	I	97.3	Very high	93.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.5	-53	175.5	-67.7	170.7	0	0	0	110.2	E498 I499 S504 M505 M506 H536 L540 I597 I601	E498-I502 WeakPolarHBondContact O-CG1 3.39Å; E498-I502 PolarHBondContact O-N 2.62Å; I499-I502 HydrophobicContact CD1-CD1 4.48Å; I499-I502 PolarHBondContact O-N 3.49Å; I502-S504 PolarHBondContact O-N 2.9Å; I502-M505 PolarHBondContact O-N 3.27Å; I502-M505 VanDerWaalsContact O-N 3.14Å; I502-M506 HydrophobicContact CG2-CE 4.25Å; I502-M506 HydrophobicContact CG2-CG 4.3Å; I502-M506 VanDerWaalsContact O-CG 3.29Å; I502-M506 WeakPolarHBondContact O-CG 3.3Å; I502-M506 PolarHBondContact O-N 2.98Å; I502-H536 HydrophobicContact CG2-CB 4.02Å; I502-L540 HydrophobicContact CD1-CB 4.4Å; I502-L540 HydrophobicContact CD1-CD2 4.5Å; I502-L540 HydrophobicContact CG1-CB 3.97Å; I502-I597 HydrophobicContact CD1-CG2 3.57Å; I502-I601 HydrophobicContact CD1-CD1 4.46Å
503	A	97	Very high	93.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.2	-37.5	179.8	0	0	0	0	0	112.4	F483 M486 L487 I499 T501 Q507 L576	F483-A503 HydrophobicContact CD1-CB 4.31Å; M486-A503 HydrophobicContact CE-CB 3.84Å; L487-A503 HydrophobicContact CD1-CB 4.17Å; L487-A503 HydrophobicContact CD2-CB 3.87Å; L487-A503 HydrophobicContact CG-CB 4.14Å; I499-A503 VanDerWaalsContact O-CB 3.28Å; I499-A503 WeakPolarHBondContact O-CB 3.34Å; I499-A503 PolarHBondContact O-N 3.15Å; T501-A503 PolarHBondContact O-N 3.18Å; A503-Q507 WeakPolarHBondContact O-CG 3.45Å; A503-Q507 PolarHBondContact O-NE2 3.17Å; A503-L576 HydrophobicContact CB-CD1 4.32Å
504	S	96.6	Very high	92.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-70.6	-44.4	178.5	-57.3	0	0	0	0	112.5	V500 T501 I502 M506 Q507 R573	V500-S504 WeakPolarHBondContact O-CB 3.23Å; V500-S504 PolarHBondContact O-N 3.14Å; V500-S504 VanDerWaalsContact O-N 3.14Å; V500-S504 PolarHBondContact O-OG 2.64Å; T501-S504 WeakPolarHBondContact O-CB 3.31Å; T501-S504 PolarHBondContact O-N 3.28Å; I502-S504 PolarHBondContact O-N 2.9Å; S504-M506 VanDerWaalsContact C-N 3.32Å; S504-M506 PolarHBondContact O-N 3.09Å; S504-Q507 PolarHBondContact O-N 3.09Å; S504-Q507 VanDerWaalsContact O-N 3.15Å; S504-R573 WeakPolarHBondContact OG-CA 3.37Å; S504-R573 VanDerWaalsContact OG-CB 3.3Å; S504-R573 WeakPolarHBondContact OG-CB 3.28Å; S504-R573 PolarHBondContact OG-N 2.9Å
505	M	95.9	Very high	92.2	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-63.2	-39.8	177.4	-70.6	-67.8	-81.8	0	0	111.2	T501 I502 Q507 I508 I511 M539 V542 Y543 L566 A569	T501-M505 WeakPolarHBondContact O-CG 3.43Å; T501-M505 PolarHBondContact O-N 3.29Å; I502-M505 PolarHBondContact O-N 3.27Å; I502-M505 VanDerWaalsContact O-N 3.14Å; M505-Q507 PolarHBondContact O-N 2.93Å; M505-Q507 VanDerWaalsContact O-N 3.12Å; M505-I508 PolarHBondContact O-N 3.12Å; M505-I511 HydrophobicContact CB-CD1 4.32Å; M505-I511 HydrophobicContact CE-CD1 3.65Å; M505-I511 HydrophobicContact CE-CG1 4.5Å; M505-I511 HydrophobicContact CE-CG2 4.27Å; M505-I511 HydrophobicContact SD-CD1 4.21Å; M505-M539 HydrophobicContact CB-CB 3.86Å; M505-M539 HydrophobicContact CE-CB 4.46Å; M505-M539 WeakPolarHBondContact CE-O 3.36Å; M505-M539 HydrophobicContact CE-SD 4.37Å; M505-M539 HydrophobicContact CG-CB 4.41Å; M505-V542 HydrophobicContact CE-CB 4.15Å; M505-V542 HydrophobicContact CE-CG1 3.94Å; M505-Y543 HydrophobicContact CG-CD2 4.29Å; M505-Y543 HydrophobicContact SD-CD2 3.82Å; M505-Y543 HydrophobicContact SD-CG 4.4Å; M505-L566 HydrophobicContact CE-CD2 3.62Å; M505-L566 HydrophobicContact SD-CD2 4.01Å; M505-A569 HydrophobicContact SD-CB 3.57Å; M505-A569 VanDerWaalsContact SD-CB 3.57Å
506	M	93.6	Very high	91.2	Very high	28 Å²	28	37.1 Å²	37.1	14%	0.138	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.3	175.9	-63.8	-56.2	143	0	0	114.1	F483 I502 S504 I508 H536 M539 D659	F483-M506 HydrophobicContact CE1-CB 3.87Å; F483-M506 HydrophobicContact CE1-CG 4.11Å; F483-M506 HydrophobicContact CZ-CB 3.65Å; F483-M506 HydrophobicContact CZ-CG 4.13Å; I502-M506 HydrophobicContact CG2-CE 4.25Å; I502-M506 HydrophobicContact CG2-CG 4.3Å; I502-M506 VanDerWaalsContact O-CG 3.29Å; I502-M506 WeakPolarHBondContact O-CG 3.3Å; I502-M506 PolarHBondContact O-N 2.98Å; S504-M506 VanDerWaalsContact C-N 3.32Å; S504-M506 PolarHBondContact O-N 3.09Å; M506-I508 VanDerWaalsContact C-N 3.33Å; M506-H536 HydrophobicContact CE-CB 4.39Å; M506-M539 HydrophobicContact CE-CB 3.56Å; M506-M539 HydrophobicContact CE-CG 3.31Å; M506-D659 HydrophobicContact SD-CB 4.13Å
507	Q	90.3	Very high	90.6	Very high	42 Å²	42	44.5 Å²	44.5	20%	0.196	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-7.2	172.9	-56.8	-44.2	-72.6	0	0	113.3	F129 L479 A503 S504 M505 V572	F129-Q507 HydrophobicContact CE2-CG 4.41Å; L479-Q507 HydrophobicContact CD2-CG 3.67Å; A503-Q507 WeakPolarHBondContact O-CG 3.45Å; A503-Q507 PolarHBondContact O-NE2 3.17Å; S504-Q507 PolarHBondContact O-N 3.09Å; S504-Q507 VanDerWaalsContact O-N 3.15Å; M505-Q507 PolarHBondContact O-N 2.93Å; M505-Q507 VanDerWaalsContact O-N 3.12Å; Q507-V572 HydrophobicContact CG-CG1 4.32Å
508	I	88.9	Confident	90.2	Very high	15 Å²	15	44 Å²	44	8%	0.077	24%	0.236	C	C	.	.	S	Bend	trans	-103.2	124.5	-177.7	-51.7	-55	0	0	0	109.5	M505 M506 I511 R568 A569	M505-I508 PolarHBondContact O-N 3.12Å; M506-I508 VanDerWaalsContact C-N 3.33Å; I508-I511 HydrophobicContact CB-CD1 4.19Å; I508-I511 HydrophobicContact CB-CG1 4.1Å; I508-I511 HydrophobicContact CG2-CG1 3.9Å; I508-R568 HydrophobicContact CD1-CB 4.02Å; I508-R568 HydrophobicContact CD1-CG 3.8Å; I508-A569 HydrophobicContact CG1-CB 3.92Å
509	Q	79.9	Confident	89.7	Confident	140 Å²	140	49.8 Å²	49.8	65%	0.654	26%	0.26	S	S	*	.	S	Bend	trans	-83.8	146.2	175.8	-65.5	-179.9	-19.8	0	0	110.7	I511	Q509-I511 PolarHBondContact O-N 2.97Å
510	N	79.1	Confident	89.4	Confident	78 Å²	78	58.5 Å²	58.5	42%	0.417	30%	0.299	S	S	.	.			trans	54.2	54.2	171.5	-55.9	-23.5	0	0	0	113.3	N562	N510-N562 WeakPolarHBondContact O-CB 3.22Å; N510-N562 PolarHBondContact O-ND2 3.03Å
511	I	90.6	Very high	89.1	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.041	31%	0.312	C	S	.	.			trans	-64.3	-45.8	172.9	-69	162.6	0	0	0	110.2	M505 I508 Q509 M539 V542 L561 N562 L566	M505-I511 HydrophobicContact CB-CD1 4.32Å; M505-I511 HydrophobicContact CE-CD1 3.65Å; M505-I511 HydrophobicContact CE-CG1 4.5Å; M505-I511 HydrophobicContact CE-CG2 4.27Å; M505-I511 HydrophobicContact SD-CD1 4.21Å; I508-I511 HydrophobicContact CB-CD1 4.19Å; I508-I511 HydrophobicContact CB-CG1 4.1Å; I508-I511 HydrophobicContact CG2-CG1 3.9Å; Q509-I511 PolarHBondContact O-N 2.97Å; I511-M539 HydrophobicContact CB-SD 4.43Å; I511-M539 HydrophobicContact CD1-SD 3.57Å; I511-M539 VanDerWaalsContact CD1-SD 3.57Å; I511-M539 HydrophobicContact CG2-SD 4.44Å; I511-V542 HydrophobicContact CG2-CG1 4.05Å; I511-L561 HydrophobicContact CG2-CD2 4.29Å; I511-L561 WeakPolarHBondContact O-CA 3.33Å; I511-N562 PolarHBondContact O-N 3.05Å; I511-L566 HydrophobicContact CG2-CD2 4.29Å
512	F	91	Very high	88.8	Confident	54 Å²	54	60.9 Å²	60.9	24%	0.237	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-80.6	122.5	173.7	-65	-63.4	0	0	0	110.3	H526 F529 T538 M539 V542 L561	F512-H526 HydrophobicContact CD1-CB 4.16Å; F512-H526 AromaticContact CD1-CD2 3.4Å; F512-H526 WeakPolarHBondContact CD1-CD2 3.27Å; F512-H526 AromaticContact CD1-CE1 3.99Å; F512-H526 AromaticContact CD1-CG 3.58Å; F512-H526 AromaticContact CD1-ND1 3.97Å; F512-H526 AromaticContact CD1-NE2 3.66Å; F512-H526 HydrophobicContact CE1-CB 4.22Å; F512-F529 HydrophobicContact CE1-CD2 4.3Å; F512-T538 HydrophobicContact CE2-CG2 4.37Å; F512-T538 HydrophobicContact CZ-CG2 4Å; F512-M539 HydrophobicContact CD2-CE 3.9Å; F512-M539 HydrophobicContact CE2-CE 3.4Å; F512-M539 VanDerWaalsContact CE2-CE 3.4Å; F512-M539 HydrophobicContact CE2-SD 4.15Å; F512-M539 HydrophobicContact CZ-CE 4.38Å; F512-V542 HydrophobicContact CE1-CG2 3.86Å; F512-V542 HydrophobicContact CZ-CG2 3.67Å; F512-L561 HydrophobicContact CD1-CD2 3.64Å; F512-L561 HydrophobicContact CE1-CD2 3.8Å
513	V	86.9	Confident	88.4	Confident	62 Å²	62	62.8 Å²	62.8	38%	0.376	33%	0.327	S	S	.	.			trans	-98.5	130.6	176.8	-177.6	0	0	0	0	108.1	P515 H526 F560 N562	V513-P515 HydrophobicContact CG1-CG 4.42Å; V513-H526 PolarHBondContact O-CE1 3.25Å; V513-H526 VanDerWaalsContact O-CE1 3.24Å; V513-F560 PolarHBondContact N-O 2.97Å; V513-F560 WeakPolarHBondContact O-CB 3.49Å; V513-N562 HydrophobicContact CG2-CB 4.02Å
514	V	86.1	Confident	88.2	Confident	80 Å²	80	69.3 Å²	69.3	49%	0.485	35%	0.351	S	S	.	.			trans	-123.1	92.6	178.1	-176.4	0	0	0	0	109	K519 A522	V514-K519 HydrophobicContact CG1-CB 4.28Å; V514-K519 HydrophobicContact CG1-CG 3.87Å; V514-A522 HydrophobicContact CG1-CB 4.46Å
515	P	81.5	Confident	88.1	Confident	38 Å²	38	70.1 Å²	70.1	25%	0.247	36%	0.355	C	S	.	.			trans	-63.9	136.8	176.4	-21.4	34.1	0	0	0	110.6	V513 N517 Q518 K519 F560	V513-P515 HydrophobicContact CG1-CG 4.42Å; P515-N517 PolarHBondContact O-N 3.2Å; P515-N517 VanDerWaalsContact O-N 3.09Å; P515-Q518 HydrophobicContact CB-CB 4.29Å; P515-Q518 PolarHBondContact O-N 2.96Å; P515-K519 PolarHBondContact O-N 3.31Å; P515-F560 HydrophobicContact CG-CD1 3.76Å; P515-F560 HydrophobicContact CG-CE1 3.9Å
516	P	76.3	Confident	88	Confident	103 Å²	103	71.4 Å²	71.4	67%	0.669	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.7	-177.9	-28.8	34.8	0	0	0	114.4
517	N	83.8	Confident	87.9	Confident	159 Å²	159	79.3 Å²	79.3	85%	0.85	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-12.1	-177.2	-63.3	-9.9	0	0	0	113.8	P515	P515-N517 PolarHBondContact O-N 3.2Å; P515-N517 VanDerWaalsContact O-N 3.09Å
518	Q	88.7	Confident	88	Confident	92 Å²	92	83.2 Å²	83.2	43%	0.43	41%	0.405	S	S	.	.			trans	-127.7	29	-172.7	-61.3	-178.2	18.9	0	0	111.9	P515 K520 D521 A522 F560	P515-Q518 HydrophobicContact CB-CB 4.29Å; P515-Q518 PolarHBondContact O-N 2.96Å; Q518-K520 VanDerWaalsContact C-N 3.29Å; Q518-K520 PolarHBondContact O-N 3.02Å; Q518-D521 PolarHBondContact O-N 2.9Å; Q518-A522 WeakPolarHBondContact O-CB 3.19Å; Q518-A522 PolarHBondContact O-N 3.46Å; Q518-F560 HydrophobicContact CB-CE1 3.93Å; Q518-F560 HydrophobicContact CB-CZ 4.15Å
519	K	87.3	Confident	88.3	Confident	135 Å²	135	83 Å²	83	59%	0.587	40%	0.404	S	S	*	.	H	α-helix	trans	-55.4	-40.6	-176.8	-65.4	-174.1	179.9	-177.2	0	113.4	V514 P515 A523	V514-K519 HydrophobicContact CG1-CB 4.28Å; V514-K519 HydrophobicContact CG1-CG 3.87Å; P515-K519 PolarHBondContact O-N 3.31Å; K519-A523 VanDerWaalsContact O-CB 3.31Å; K519-A523 WeakPolarHBondContact O-CB 3.46Å; K519-A523 PolarHBondContact O-N 2.82Å
520	K	91.1	Very high	88.9	Confident	184 Å²	184	78.4 Å²	78.4	80%	0.8	39%	0.39	S	S	*	.	H	α-helix	trans	-69.6	-43.1	-179.2	-69.6	-174.9	178.7	-179.3	0	112	Q518 A523 R524	Q518-K520 VanDerWaalsContact C-N 3.29Å; Q518-K520 PolarHBondContact O-N 3.02Å; K520-A523 PolarHBondContact O-N 2.85Å; K520-R524 PolarHBondContact O-N 3.01Å
521	D	92.1	Very high	89.5	Confident	60 Å²	60	76.2 Å²	76.2	32%	0.321	38%	0.379	S	S	.	.	H	α-helix	trans	-68.3	-44.8	178	-62.9	-54.4	0	0	0	111.1	Q518 A523 R524 E525 F560	Q518-D521 PolarHBondContact O-N 2.9Å; D521-A523 VanDerWaalsContact C-N 3.35Å; D521-A523 PolarHBondContact O-N 3.23Å; D521-R524 WeakPolarHBondContact O-CB 3.32Å; D521-R524 PolarHBondContact O-N 3.24Å; D521-R524 VanDerWaalsContact O-N 3.1Å; D521-R524 IonicContact OD1-CZ 3.22Å; D521-R524 IonicContact OD1-NH1 2.8Å; D521-R524 PolarHBondContact OD1-NH1 3.19Å; D521-R524 IonicContact OD1-NH2 2.85Å; D521-R524 PolarHBondContact OD1-NH2 3.47Å; D521-E525 PolarHBondContact O-N 3.03Å; D521-F560 HydrophobicContact CB-CE2 4.16Å; D521-F560 HydrophobicContact CB-CZ 4.05Å
522	A	90.9	Very high	89.5	Confident	0 Å²	0	80 Å²	80	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-56.3	-48	173.9	0	0	0	0	0	111.4	V514 Q518 R524 E525 H526 F560	V514-A522 HydrophobicContact CG1-CB 4.46Å; Q518-A522 WeakPolarHBondContact O-CB 3.19Å; Q518-A522 PolarHBondContact O-N 3.46Å; A522-R524 VanDerWaalsContact C-N 3.31Å; A522-R524 PolarHBondContact O-N 3.1Å; A522-E525 PolarHBondContact O-N 3.18Å; A522-H526 WeakPolarHBondContact O-CB 3.22Å; A522-H526 PolarHBondContact O-CD2 2.92Å; A522-H526 PolarHBondContact O-N 2.89Å; A522-H526 PolarHBondContact O-ND1 2.73Å; A522-F560 HydrophobicContact CB-CB 4.17Å; A522-F560 HydrophobicContact CB-CD1 3.97Å; A522-F560 HydrophobicContact CB-CD2 4.07Å; A522-F560 HydrophobicContact CB-CE1 4.33Å; A522-F560 HydrophobicContact CB-CE2 4.44Å; A522-F560 HydrophobicContact CB-CG 3.81Å
523	A	89.8	Confident	89.5	Confident	40 Å²	40	80.4 Å²	80.4	33%	0.331	42%	0.415	S	S	.	.	H	α-helix	trans	-61.6	-36.8	176.8	0	0	0	0	0	113	K519 K520 D521 R527	K519-A523 VanDerWaalsContact O-CB 3.31Å; K519-A523 WeakPolarHBondContact O-CB 3.46Å; K519-A523 PolarHBondContact O-N 2.82Å; K520-A523 PolarHBondContact O-N 2.85Å; D521-A523 VanDerWaalsContact C-N 3.35Å; D521-A523 PolarHBondContact O-N 3.23Å; A523-R527 VanDerWaalsContact O-CG 3.27Å; A523-R527 WeakPolarHBondContact O-CG 3.33Å; A523-R527 PolarHBondContact O-N 3.44Å; A523-R527 VanDerWaalsContact O-N 3.12Å
524	R	92.2	Very high	89.9	Confident	136 Å²	136	77.4 Å²	77.4	51%	0.513	40%	0.397	S	S	.	.	H	α-helix	trans	-65.3	-43.5	175.8	-176.4	-179.4	65.7	-122.7	-7	111.4	K520 D521 A522	K520-R524 PolarHBondContact O-N 3.01Å; D521-R524 WeakPolarHBondContact O-CB 3.32Å; D521-R524 PolarHBondContact O-N 3.24Å; D521-R524 VanDerWaalsContact O-N 3.1Å; D521-R524 IonicContact OD1-CZ 3.22Å; D521-R524 IonicContact OD1-NH1 2.8Å; D521-R524 PolarHBondContact OD1-NH1 3.19Å; D521-R524 IonicContact OD1-NH2 2.85Å; D521-R524 PolarHBondContact OD1-NH2 3.47Å; A522-R524 VanDerWaalsContact C-N 3.31Å; A522-R524 PolarHBondContact O-N 3.1Å
525	E	94.3	Very high	90.2	Very high	18 Å²	18	74.1 Å²	74.1	8%	0.084	38%	0.376	C	S	.	.	H	α-helix	trans	-69	-42.7	177.5	-67	-52.8	126.2	0	0	112	D521 A522 R527 K528 H559 F560	D521-E525 PolarHBondContact O-N 3.03Å; A522-E525 PolarHBondContact O-N 3.18Å; E525-R527 VanDerWaalsContact C-N 3.3Å; E525-R527 PolarHBondContact O-N 2.59Å; E525-K528 WeakPolarHBondContact O-CB 3.48Å; E525-K528 PolarHBondContact O-N 2.85Å; E525-K528 VanDerWaalsContact O-N 3.08Å; E525-K528 WeakPolarHBondContact OE1-CE 3.24Å; E525-K528 IonicContact OE1-NZ 2.75Å; E525-K528 PolarHBondContact OE1-NZ 3.18Å; E525-K528 WeakPolarHBondContact OE2-CD 3.26Å; E525-K528 VanDerWaalsContact OE2-CE 3.31Å; E525-K528 WeakPolarHBondContact OE2-CE 3.45Å; E525-K528 IonicContact OE2-NZ 2.68Å; E525-K528 PolarHBondContact OE2-NZ 2.7Å; E525-H559 IonicContact OE2-CE1 3.29Å; E525-H559 PolarHBondContact OE2-CE1 3.08Å; E525-H559 VanDerWaalsContact OE2-CE1 3.29Å; E525-H559 IonicContact OE2-ND1 3.14Å; E525-H559 PolarHBondContact OE2-ND1 3.26Å; E525-F560 HydrophobicContact CB-CD2 4Å; E525-F560 HydrophobicContact CG-CD2 3.92Å; E525-F560 HydrophobicContact CG-CE2 3.96Å
526	H	93.2	Very high	90.9	Very high	27 Å²	27	72.3 Å²	72.3	13%	0.125	37%	0.365	C	S	.	.	H	α-helix	trans	-62.2	-36.4	178.7	-62.9	166.5	0	0	0	112.5	F512 V513 A522 K528 F529 F560	F512-H526 HydrophobicContact CD1-CB 4.16Å; F512-H526 AromaticContact CD1-CD2 3.4Å; F512-H526 WeakPolarHBondContact CD1-CD2 3.27Å; F512-H526 AromaticContact CD1-CE1 3.99Å; F512-H526 AromaticContact CD1-CG 3.58Å; F512-H526 AromaticContact CD1-ND1 3.97Å; F512-H526 AromaticContact CD1-NE2 3.66Å; F512-H526 HydrophobicContact CE1-CB 4.22Å; V513-H526 PolarHBondContact O-CE1 3.25Å; V513-H526 VanDerWaalsContact O-CE1 3.24Å; A522-H526 WeakPolarHBondContact O-CB 3.22Å; A522-H526 PolarHBondContact O-CD2 2.92Å; A522-H526 PolarHBondContact O-N 2.89Å; A522-H526 PolarHBondContact O-ND1 2.73Å; H526-K528 PolarHBondContact O-N 2.85Å; H526-F529 PolarHBondContact O-N 3.08Å; H526-F529 VanDerWaalsContact O-N 3.08Å; H526-F560 WeakPolarHBondContact NE2-CB 3.47Å; H526-F560 PolarHBondContact NE2-O 3.19Å; H526-F560 VanDerWaalsContact NE2-O 3.11Å
527	R	91.2	Very high	91.8	Very high	194 Å²	194	68.1 Å²	68.1	73%	0.732	34%	0.336	S	S	*	.	H	α-helix	trans	-59.7	-26.1	175.1	-79.8	176.5	-167.9	177.5	2.8	113.7	A523 E525 F529 A530	A523-R527 VanDerWaalsContact O-CG 3.27Å; A523-R527 WeakPolarHBondContact O-CG 3.33Å; A523-R527 PolarHBondContact O-N 3.44Å; A523-R527 VanDerWaalsContact O-N 3.12Å; E525-R527 VanDerWaalsContact C-N 3.3Å; E525-R527 PolarHBondContact O-N 2.59Å; R527-F529 PolarHBondContact O-N 3.42Å; R527-A530 WeakPolarHBondContact O-CB 3.49Å; R527-A530 PolarHBondContact O-N 3.03Å
528	K	94.1	Very high	92.4	Very high	124 Å²	124	60.6 Å²	60.6	54%	0.539	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.2	177.4	-60.6	179.1	-176	169.4	0	112.5	E525 H526	E525-K528 WeakPolarHBondContact O-CB 3.48Å; E525-K528 PolarHBondContact O-N 2.85Å; E525-K528 VanDerWaalsContact O-N 3.08Å; E525-K528 WeakPolarHBondContact OE1-CE 3.24Å; E525-K528 IonicContact OE1-NZ 2.75Å; E525-K528 PolarHBondContact OE1-NZ 3.18Å; E525-K528 WeakPolarHBondContact OE2-CD 3.26Å; E525-K528 VanDerWaalsContact OE2-CE 3.31Å; E525-K528 WeakPolarHBondContact OE2-CE 3.45Å; E525-K528 IonicContact OE2-NZ 2.68Å; E525-K528 PolarHBondContact OE2-NZ 2.7Å; H526-K528 PolarHBondContact O-N 2.85Å
529	F	94.7	Very high	92.8	Very high	11 Å²	11	57.2 Å²	57.2	5%	0.048	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-12.9	177.1	-54.6	-73.6	0	0	0	113.1	F512 H526 R527 V531 T538 N541 V542 A545 W555 H559 L561	F512-F529 HydrophobicContact CE1-CD2 4.3Å; H526-F529 PolarHBondContact O-N 3.08Å; H526-F529 VanDerWaalsContact O-N 3.08Å; R527-F529 PolarHBondContact O-N 3.42Å; F529-V531 PolarHBondContact O-N 3.13Å; F529-T538 HydrophobicContact CB-CG2 4.47Å; F529-N541 WeakPolarHBondContact CA-ND2 3.29Å; F529-N541 PolarHBondContact O-ND2 3.38Å; F529-V542 HydrophobicContact CB-CG2 3.65Å; F529-V542 HydrophobicContact CD1-CG2 4.03Å; F529-V542 HydrophobicContact CD2-CG2 4.27Å; F529-V542 HydrophobicContact CG-CG2 3.72Å; F529-A545 HydrophobicContact CD1-CB 4.31Å; F529-A545 HydrophobicContact CE1-CB 3.81Å; F529-W555 AromaticContact CE1-CH2 3.79Å; F529-W555 HydrophobicContact CE1-CH2 3.79Å; F529-W555 AromaticContact CE1-CZ2 3.83Å; F529-W555 HydrophobicContact CE1-CZ2 3.83Å; F529-W555 AromaticContact CZ-CH2 3.78Å; F529-W555 HydrophobicContact CZ-CH2 3.78Å; F529-W555 AromaticContact CZ-CZ2 3.78Å; F529-W555 HydrophobicContact CZ-CZ2 3.78Å; F529-H559 HydrophobicContact CE2-CB 4Å; F529-H559 HydrophobicContact CZ-CB 3.96Å; F529-H559 AromaticContact CZ-CG 3.86Å; F529-H559 AromaticContact CZ-ND1 3.9Å; F529-L561 HydrophobicContact CE2-CD1 4.22Å; F529-L561 HydrophobicContact CZ-CD1 4.03Å
530	A	92.1	Very high	93.2	Very high	44 Å²	44	51.4 Å²	51.4	36%	0.364	26%	0.256	S	S	.	.			trans	-64.5	134.7	-172.8	0	0	0	0	0	111.4	R527 V634	R527-A530 WeakPolarHBondContact O-CB 3.49Å; R527-A530 PolarHBondContact O-N 3.03Å; A530-V634 HydrophobicContact CB-CB 4.17Å; A530-V634 HydrophobicContact CB-CG1 3.76Å
531	V	92.4	Very high	93.5	Very high	31 Å²	31	45.2 Å²	45.2	19%	0.188	23%	0.231	C	C	.	.			trans	-117.6	135	179.7	179.6	0	0	0	0	108.4	F529 E533 G534 L537 T538 N541 V634	F529-V531 PolarHBondContact O-N 3.13Å; V531-E533 HydrophobicContact CG1-CB 4.25Å; V531-E533 WeakPolarHBondContact CG1-OE2 3.21Å; V531-E533 PolarHBondContact O-N 2.89Å; V531-G534 PolarHBondContact O-N 2.83Å; V531-G534 VanDerWaalsContact O-N 3.14Å; V531-L537 HydrophobicContact CB-CB 4.02Å; V531-L537 HydrophobicContact CG1-CB 3.64Å; V531-L537 HydrophobicContact CG1-CD2 4.11Å; V531-L537 HydrophobicContact CG2-CB 4.34Å; V531-T538 PolarHBondContact N-OG1 2.77Å; V531-N541 HydrophobicContact CG2-CB 4.1Å; V531-V634 WeakPolarHBondContact O-CG2 3.27Å
532	A	90.1	Very high	93.7	Very high	88 Å²	88	42.3 Å²	42.3	73%	0.727	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-27.1	-170.6	0	0	0	0	0	112.9	G534 L635	A532-G534 VanDerWaalsContact C-N 3.3Å; A532-L635 VanDerWaalsContact O-CD2 3.27Å; A532-L635 WeakPolarHBondContact O-CD2 3.4Å
533	E	91.8	Very high	94	Very high	62 Å²	62	43 Å²	43	29%	0.29	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-23.6	179.3	-64.8	82.2	167.2	0	0	112	V531 L537 P594 L598 A662	V531-E533 HydrophobicContact CG1-CB 4.25Å; V531-E533 WeakPolarHBondContact CG1-OE2 3.21Å; V531-E533 PolarHBondContact O-N 2.89Å; E533-L537 HydrophobicContact CB-CD1 4.45Å; E533-L537 HydrophobicContact CB-CD2 4.08Å; E533-L537 HydrophobicContact CG-CD2 4.34Å; E533-P594 HydrophobicContact CG-CB 4.25Å; E533-L598 HydrophobicContact CB-CD1 4.25Å; E533-L598 HydrophobicContact CB-CD2 4.29Å; E533-L598 HydrophobicContact CG-CD1 4.15Å; E533-A662 PolarHBondContact O-N 2.74Å
534	G	93.6	Very high	94.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	135.3	-165.4	168.1	0	0	0	0	0	116.3	V531 A532 H536 T538 V660	V531-G534 PolarHBondContact O-N 2.83Å; V531-G534 VanDerWaalsContact O-N 3.14Å; A532-G534 VanDerWaalsContact C-N 3.3Å; G534-H536 PolarHBondContact O-N 2.92Å; G534-T538 PolarHBondContact O-N 3.01Å; G534-T538 VanDerWaalsContact O-N 3.14Å; G534-T538 PolarHBondContact O-OG1 3.26Å; G534-V660 WeakPolarHBondContact CA-O 3.48Å
535	D	94.4	Very high	94.5	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.059	21%	0.208	C	C	.	.	H	α-helix	trans	-69.1	-33.8	-169.4	-65.3	-34.3	0	0	0	112.5	T538 M539 S633 V634 D659 V660	D535-T538 WeakPolarHBondContact O-CB 2.99Å; D535-T538 PolarHBondContact O-N 2.79Å; D535-M539 WeakPolarHBondContact O-CG 3.23Å; D535-M539 PolarHBondContact O-N 2.85Å; D535-S633 VanDerWaalsContact CG-OG 3.22Å; D535-S633 WeakPolarHBondContact OD1-CA 3.47Å; D535-S633 PolarHBondContact OD1-OG 3.01Å; D535-S633 VanDerWaalsContact OD1-OG 3.13Å; D535-S633 VanDerWaalsContact OD2-CB 3.23Å; D535-S633 WeakPolarHBondContact OD2-CB 3.25Å; D535-S633 PolarHBondContact OD2-OG 2.89Å; D535-V634 WeakPolarHBondContact OD1-CG2 3.35Å; D535-V634 PolarHBondContact OD1-N 3.25Å; D535-D659 WeakPolarHBondContact OD2-CA 3.44Å; D535-V660 PolarHBondContact N-O 3.4Å; D535-V660 PolarHBondContact OD2-N 3.41Å
536	H	95.6	Very high	94.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-48	179.9	-70.2	92.9	0	0	0	112.9	I502 M506 G534 T538 M539 L540 I601 N647 D659 T661	I502-H536 HydrophobicContact CG2-CB 4.02Å; M506-H536 HydrophobicContact CE-CB 4.39Å; G534-H536 PolarHBondContact O-N 2.92Å; H536-T538 VanDerWaalsContact C-N 3.34Å; H536-M539 PolarHBondContact O-N 3.31Å; H536-L540 PolarHBondContact O-N 3.41Å; H536-I601 HydrophobicContact CB-CD1 3.67Å; H536-N647 PolarHBondContact CE1-OD1 3.42Å; H536-N647 VanDerWaalsContact CE1-OD1 3.24Å; H536-N647 PolarHBondContact NE2-ND2 3.37Å; H536-N647 PolarHBondContact NE2-OD1 3.35Å; H536-D659 PolarHBondContact CE1-O 3.37Å; H536-T661 WeakPolarHBondContact CB-OG1 3.48Å; H536-T661 PolarHBondContact ND1-OG1 3.35Å
537	L	95.7	Very high	94.9	Very high	15 Å²	15	41.2 Å²	41.2	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-72.6	-30.6	177.1	-78.8	76.5	0	0	0	111.4	V531 E533 M539 L540 N541 P594 I597 L598 I601	V531-L537 HydrophobicContact CB-CB 4.02Å; V531-L537 HydrophobicContact CG1-CB 3.64Å; V531-L537 HydrophobicContact CG1-CD2 4.11Å; V531-L537 HydrophobicContact CG2-CB 4.34Å; E533-L537 HydrophobicContact CB-CD1 4.45Å; E533-L537 HydrophobicContact CB-CD2 4.08Å; E533-L537 HydrophobicContact CG-CD2 4.34Å; L537-M539 VanDerWaalsContact C-N 3.28Å; L537-M539 PolarHBondContact O-N 2.87Å; L537-L540 WeakPolarHBondContact O-CB 3.28Å; L537-L540 PolarHBondContact O-N 3.2Å; L537-L540 VanDerWaalsContact O-N 3.16Å; L537-N541 PolarHBondContact O-N 3.16Å; L537-P594 HydrophobicContact CD2-CB 3.72Å; L537-I597 HydrophobicContact CD1-CG2 4.3Å; L537-L598 HydrophobicContact CD1-CD2 3.59Å; L537-L598 HydrophobicContact CD1-CG 4.4Å; L537-I601 HydrophobicContact CD1-CD1 4.49Å
538	T	95.8	Very high	95.1	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-57.5	-43.3	170.9	-61.9	0	0	0	0	111	F512 F529 V531 G534 D535 H536 L540 N541 V542 V634	F512-T538 HydrophobicContact CE2-CG2 4.37Å; F512-T538 HydrophobicContact CZ-CG2 4Å; F529-T538 HydrophobicContact CB-CG2 4.47Å; V531-T538 PolarHBondContact N-OG1 2.77Å; G534-T538 PolarHBondContact O-N 3.01Å; G534-T538 VanDerWaalsContact O-N 3.14Å; G534-T538 PolarHBondContact O-OG1 3.26Å; D535-T538 WeakPolarHBondContact O-CB 2.99Å; D535-T538 PolarHBondContact O-N 2.79Å; H536-T538 VanDerWaalsContact C-N 3.34Å; T538-L540 PolarHBondContact O-N 3Å; T538-N541 PolarHBondContact O-N 2.82Å; T538-V542 WeakPolarHBondContact O-CG2 3.48Å; T538-V542 PolarHBondContact O-N 3.47Å; T538-V634 HydrophobicContact CG2-CG1 4.01Å
539	M	96.4	Very high	95.3	Very high	20 Å²	20	38.3 Å²	38.3	10%	0.099	21%	0.207	C	C	.	.	H	α-helix	trans	-68.1	-32.5	176.4	-68	-58.4	163.5	0	0	113.6	M505 M506 I511 F512 D535 H536 L537 Y543	M505-M539 HydrophobicContact CB-CB 3.86Å; M505-M539 HydrophobicContact CE-CB 4.46Å; M505-M539 WeakPolarHBondContact CE-O 3.36Å; M505-M539 HydrophobicContact CE-SD 4.37Å; M505-M539 HydrophobicContact CG-CB 4.41Å; M506-M539 HydrophobicContact CE-CB 3.56Å; M506-M539 HydrophobicContact CE-CG 3.31Å; I511-M539 HydrophobicContact CB-SD 4.43Å; I511-M539 HydrophobicContact CD1-SD 3.57Å; I511-M539 VanDerWaalsContact CD1-SD 3.57Å; I511-M539 HydrophobicContact CG2-SD 4.44Å; F512-M539 HydrophobicContact CD2-CE 3.9Å; F512-M539 HydrophobicContact CE2-CE 3.4Å; F512-M539 VanDerWaalsContact CE2-CE 3.4Å; F512-M539 HydrophobicContact CE2-SD 4.15Å; F512-M539 HydrophobicContact CZ-CE 4.38Å; D535-M539 WeakPolarHBondContact O-CG 3.23Å; D535-M539 PolarHBondContact O-N 2.85Å; H536-M539 PolarHBondContact O-N 3.31Å; L537-M539 VanDerWaalsContact C-N 3.28Å; L537-M539 PolarHBondContact O-N 2.87Å; M539-Y543 PolarHBondContact O-N 3.33Å; M539-Y543 VanDerWaalsContact O-N 3.15Å
540	L	96.5	Very high	95.3	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.068	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-49.1	170.8	178.3	63.4	0	0	0	110.5	E498 T501 I502 H536 L537 T538 V542 Y543 E544 I597	E498-L540 HydrophobicContact CB-CD1 4.36Å; E498-L540 HydrophobicContact CB-CD2 3.89Å; E498-L540 HydrophobicContact CG-CD2 3.96Å; T501-L540 HydrophobicContact CG2-CD1 3.72Å; I502-L540 HydrophobicContact CD1-CB 4.4Å; I502-L540 HydrophobicContact CD1-CD2 4.5Å; I502-L540 HydrophobicContact CG1-CB 3.97Å; H536-L540 PolarHBondContact O-N 3.41Å; L537-L540 WeakPolarHBondContact O-CB 3.28Å; L537-L540 PolarHBondContact O-N 3.2Å; L537-L540 VanDerWaalsContact O-N 3.16Å; T538-L540 PolarHBondContact O-N 3Å; L540-V542 PolarHBondContact O-N 2.94Å; L540-Y543 WeakPolarHBondContact O-CB 3.29Å; L540-Y543 PolarHBondContact O-N 2.91Å; L540-Y543 VanDerWaalsContact O-N 3.1Å; L540-E544 HydrophobicContact CD1-CG 4.25Å; L540-E544 WeakPolarHBondContact O-CG 3.41Å; L540-E544 PolarHBondContact O-N 3.05Å; L540-I597 HydrophobicContact CD2-CD1 4.17Å
541	N	96.3	Very high	95.4	Very high	54 Å²	54	48.6 Å²	48.6	29%	0.289	25%	0.247	S	C	.	.	H	α-helix	trans	-59.6	-44	179.5	-170	14.8	0	0	0	112.1	F529 V531 L537 T538 Y543 E544 A545	F529-N541 WeakPolarHBondContact CA-ND2 3.29Å; F529-N541 PolarHBondContact O-ND2 3.38Å; V531-N541 HydrophobicContact CG2-CB 4.1Å; L537-N541 PolarHBondContact O-N 3.16Å; T538-N541 PolarHBondContact O-N 2.82Å; N541-Y543 VanDerWaalsContact C-N 3.33Å; N541-Y543 PolarHBondContact O-N 3.43Å; N541-E544 PolarHBondContact O-N 3.43Å; N541-A545 VanDerWaalsContact O-CB 3.3Å; N541-A545 WeakPolarHBondContact O-CB 3.27Å; N541-A545 PolarHBondContact O-N 3.41Å
542	V	97.1	Very high	95.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.6	-45.4	173.9	172.9	0	0	0	0	111.4	M505 I511 F512 F529 T538 L540 F546 L561 L566	M505-V542 HydrophobicContact CE-CB 4.15Å; M505-V542 HydrophobicContact CE-CG1 3.94Å; I511-V542 HydrophobicContact CG2-CG1 4.05Å; F512-V542 HydrophobicContact CE1-CG2 3.86Å; F512-V542 HydrophobicContact CZ-CG2 3.67Å; F529-V542 HydrophobicContact CB-CG2 3.65Å; F529-V542 HydrophobicContact CD1-CG2 4.03Å; F529-V542 HydrophobicContact CD2-CG2 4.27Å; F529-V542 HydrophobicContact CG-CG2 3.72Å; T538-V542 WeakPolarHBondContact O-CG2 3.48Å; T538-V542 PolarHBondContact O-N 3.47Å; L540-V542 PolarHBondContact O-N 2.94Å; V542-F546 WeakPolarHBondContact O-CB 3.25Å; V542-F546 PolarHBondContact O-N 3.4Å; V542-L561 HydrophobicContact CG1-CD1 4Å; V542-L561 HydrophobicContact CG1-CD2 4.05Å; V542-L566 HydrophobicContact CG1-CD2 4.03Å
543	Y	97.3	Very high	95.7	Very high	14 Å²	14	47.1 Å²	47.1	6%	0.055	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-46.6	-179.8	-177.4	-88.7	0	0	0	111.9	T501 M505 M539 L540 N541 F546 I547 A569 I570 R573	T501-Y543 HydrophobicContact CG2-CD1 3.23Å; T501-Y543 HydrophobicContact CG2-CD2 4.04Å; T501-Y543 HydrophobicContact CG2-CE1 3.8Å; T501-Y543 HydrophobicContact CG2-CG 3.36Å; M505-Y543 HydrophobicContact CG-CD2 4.29Å; M505-Y543 HydrophobicContact SD-CD2 3.82Å; M505-Y543 HydrophobicContact SD-CG 4.4Å; M539-Y543 PolarHBondContact O-N 3.33Å; M539-Y543 VanDerWaalsContact O-N 3.15Å; L540-Y543 WeakPolarHBondContact O-CB 3.29Å; L540-Y543 PolarHBondContact O-N 2.91Å; L540-Y543 VanDerWaalsContact O-N 3.1Å; N541-Y543 VanDerWaalsContact C-N 3.33Å; N541-Y543 PolarHBondContact O-N 3.43Å; Y543-F546 WeakPolarHBondContact O-CB 3.35Å; Y543-F546 PolarHBondContact O-N 2.65Å; Y543-I547 HydrophobicContact CD1-CG1 3.99Å; Y543-I547 HydrophobicContact CE1-CD1 4.23Å; Y543-I547 HydrophobicContact CE1-CG1 3.57Å; Y543-I547 WeakPolarHBondContact O-CG1 3.08Å; Y543-I547 PolarHBondContact O-N 3Å; Y543-A569 HydrophobicContact CD2-CB 4.49Å; Y543-I570 HydrophobicContact CE2-CG1 3.78Å; Y543-R573 WeakPolarHBondContact OH-CD 3.45Å
544	E	95.9	Very high	95.9	Very high	102 Å²	102	50.2 Å²	50.2	48%	0.477	25%	0.247	S	C	.	.	H	α-helix	trans	-63.2	-42.8	179.8	-71.4	-177.5	170.5	0	0	111.8	L540 N541 F546 I547 K548	L540-E544 HydrophobicContact CD1-CG 4.25Å; L540-E544 WeakPolarHBondContact O-CG 3.41Å; L540-E544 PolarHBondContact O-N 3.05Å; N541-E544 PolarHBondContact O-N 3.43Å; E544-F546 VanDerWaalsContact C-N 3.35Å; E544-F546 PolarHBondContact O-N 3.35Å; E544-I547 PolarHBondContact O-N 3.47Å; E544-K548 WeakPolarHBondContact O-CB 3.39Å; E544-K548 PolarHBondContact O-N 2.84Å
545	A	96.9	Very high	96	Very high	16 Å²	16	51 Å²	51	13%	0.132	25%	0.25	C	C	.	.	H	α-helix	trans	-59.9	-44.4	173.6	0	0	0	0	0	111.7	F529 N541 I547 K548 H549 W555	F529-A545 HydrophobicContact CD1-CB 4.31Å; F529-A545 HydrophobicContact CE1-CB 3.81Å; N541-A545 VanDerWaalsContact O-CB 3.3Å; N541-A545 WeakPolarHBondContact O-CB 3.27Å; N541-A545 PolarHBondContact O-N 3.41Å; A545-I547 VanDerWaalsContact C-N 3.34Å; A545-I547 PolarHBondContact O-N 2.93Å; A545-K548 WeakPolarHBondContact O-CB 3.35Å; A545-K548 PolarHBondContact O-N 2.72Å; A545-H549 PolarHBondContact O-CD2 3.25Å; A545-H549 VanDerWaalsContact O-CD2 3.25Å; A545-H549 PolarHBondContact O-N 3.1Å; A545-W555 HydrophobicContact CB-CH2 3.68Å; A545-W555 HydrophobicContact CB-CZ2 3.76Å
546	F	97.4	Very high	96	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.8	-41.4	177	177.7	-119.8	0	0	0	112.8	V542 Y543 E544 K551 W555 C556 Y563 L566 L567 I570	V542-F546 WeakPolarHBondContact O-CB 3.25Å; V542-F546 PolarHBondContact O-N 3.4Å; Y543-F546 WeakPolarHBondContact O-CB 3.35Å; Y543-F546 PolarHBondContact O-N 2.65Å; E544-F546 VanDerWaalsContact C-N 3.35Å; E544-F546 PolarHBondContact O-N 3.35Å; F546-K551 HydrophobicContact CD1-CG 4.43Å; F546-K551 HydrophobicContact CE1-CB 3.92Å; F546-K551 HydrophobicContact CE1-CG 3.93Å; F546-K551 VanDerWaalsContact CE2-C 3.48Å; F546-K551 HydrophobicContact CE2-CB 3.97Å; F546-K551 HydrophobicContact CZ-CB 3.54Å; F546-K551 HydrophobicContact CZ-CG 4.1Å; F546-K551 WeakPolarHBondContact O-CA 3.41Å; F546-K551 PolarHBondContact O-N 3.5Å; F546-W555 HydrophobicContact CB-CH2 4.43Å; F546-W555 HydrophobicContact CB-CZ3 3.83Å; F546-W555 HydrophobicContact CD2-CE3 4.05Å; F546-W555 HydrophobicContact CD2-CZ3 4Å; F546-W555 HydrophobicContact CG-CZ3 4.43Å; F546-C556 WeakPolarHBondContact CD2-SG 3.25Å; F546-C556 WeakPolarHBondContact CE2-SG 3.49Å; F546-Y563 AromaticContact CE2-CD2 3.78Å; F546-Y563 HydrophobicContact CE2-CD2 3.78Å; F546-Y563 AromaticContact CE2-CE2 3.95Å; F546-Y563 HydrophobicContact CE2-CE2 3.95Å; F546-Y563 AromaticContact CZ-CD2 3.8Å; F546-Y563 HydrophobicContact CZ-CD2 3.8Å; F546-Y563 AromaticContact CZ-CE2 3.75Å; F546-Y563 HydrophobicContact CZ-CE2 3.75Å; F546-L566 HydrophobicContact CB-CD1 4.22Å; F546-L566 HydrophobicContact CD1-CB 3.76Å; F546-L566 HydrophobicContact CD1-CD1 4.26Å; F546-L566 HydrophobicContact CD1-CG 4.42Å; F546-L566 HydrophobicContact CD2-CB 4.49Å; F546-L566 HydrophobicContact CD2-CD1 3.82Å; F546-L566 HydrophobicContact CE1-CB 3.55Å; F546-L566 HydrophobicContact CE2-CB 4.34Å; F546-L566 HydrophobicContact CE2-CD1 4.19Å; F546-L566 HydrophobicContact CG-CB 4.21Å; F546-L566 HydrophobicContact CG-CD1 3.84Å; F546-L566 HydrophobicContact CG-CG 4.47Å; F546-L566 HydrophobicContact CZ-CB 3.87Å; F546-L567 HydrophobicContact CE1-CD2 4.46Å; F546-L567 HydrophobicContact CZ-CD2 4.15Å; F546-I570 HydrophobicContact CD1-CD1 4.33Å; F546-I570 HydrophobicContact CE1-CD1 3.72Å
547	I	97.2	Very high	95.8	Very high	66 Å²	66	57.1 Å²	57.1	34%	0.338	28%	0.278	S	S	.	.	H	α-helix	trans	-68	-42.4	175.7	-64.5	-59.1	0	0	0	111.2	Y543 E544 A545 H549 Q550 K551 I570	Y543-I547 HydrophobicContact CD1-CG1 3.99Å; Y543-I547 HydrophobicContact CE1-CD1 4.23Å; Y543-I547 HydrophobicContact CE1-CG1 3.57Å; Y543-I547 WeakPolarHBondContact O-CG1 3.08Å; Y543-I547 PolarHBondContact O-N 3Å; E544-I547 PolarHBondContact O-N 3.47Å; A545-I547 VanDerWaalsContact C-N 3.34Å; A545-I547 PolarHBondContact O-N 2.93Å; I547-H549 VanDerWaalsContact C-N 3.28Å; I547-H549 PolarHBondContact O-N 3.37Å; I547-Q550 PolarHBondContact O-N 2.89Å; I547-K551 HydrophobicContact CD1-CG 4.14Å; I547-I570 HydrophobicContact CD1-CD1 3.9Å; I547-I570 HydrophobicContact CD1-CG1 4.23Å
548	K	96.8	Very high	95.7	Very high	170 Å²	170	61.4 Å²	61.4	74%	0.739	30%	0.298	S	S	*	.	H	α-helix	trans	-58.9	-39.6	177.1	-176.2	-178.7	179.4	-179.4	0	111.8	E544 A545 Q550	E544-K548 WeakPolarHBondContact O-CB 3.39Å; E544-K548 PolarHBondContact O-N 2.84Å; A545-K548 WeakPolarHBondContact O-CB 3.35Å; A545-K548 PolarHBondContact O-N 2.72Å; K548-Q550 PolarHBondContact O-N 3.41Å
549	H	96.5	Very high	95.7	Very high	86 Å²	86	62.8 Å²	62.8	40%	0.398	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	29.1	175.1	-71.4	-79	0	0	0	113.4	A545 I547 K551 S552 W555	A545-H549 PolarHBondContact O-CD2 3.25Å; A545-H549 VanDerWaalsContact O-CD2 3.25Å; A545-H549 PolarHBondContact O-N 3.1Å; I547-H549 VanDerWaalsContact C-N 3.28Å; I547-H549 PolarHBondContact O-N 3.37Å; H549-K551 PolarHBondContact O-N 3.21Å; H549-K551 VanDerWaalsContact O-N 3.08Å; H549-S552 VanDerWaalsContact O-CB 3.31Å; H549-S552 WeakPolarHBondContact O-CB 3.47Å; H549-S552 PolarHBondContact O-N 2.89Å; H549-W555 HydrophobicContact CB-CB 4.36Å; H549-W555 HydrophobicContact CB-CD2 3.87Å; H549-W555 HydrophobicContact CB-CG 3.77Å; H549-W555 AromaticContact CD2-CD1 3.82Å; H549-W555 AromaticContact CD2-CE2 3.43Å; H549-W555 VanDerWaalsContact CD2-CE2 3.43Å; H549-W555 AromaticContact CD2-CZ2 3.83Å; H549-W555 AromaticContact CD2-NE1 3.18Å; H549-W555 PolarHBondContact CD2-NE1 3.5Å; H549-W555 AromaticContact CE1-NE1 3.77Å; H549-W555 AromaticContact CG-CD1 3.54Å; H549-W555 AromaticContact CG-CE2 3.79Å; H549-W555 AromaticContact CG-CG 3.92Å; H549-W555 AromaticContact CG-NE1 3.41Å; H549-W555 AromaticContact ND1-CD1 3.69Å; H549-W555 AromaticContact ND1-NE1 3.77Å; H549-W555 AromaticContact NE2-NE1 3.46Å; H549-W555 PolarHBondContact NE2-NE1 3.07Å
550	Q	95.5	Very high	95.5	Very high	179 Å²	179	63 Å²	63	84%	0.836	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	31.1	171.8	-56	-178.2	11.7	0	0	114.4	I547 K548 S552	I547-Q550 PolarHBondContact O-N 2.89Å; K548-Q550 PolarHBondContact O-N 3.41Å; Q550-S552 PolarHBondContact O-N 3.09Å
551	K	95.3	Very high	95.4	Very high	93 Å²	93	62.9 Å²	62.9	40%	0.404	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	34.7	-178.2	-48.8	167	-169.5	170.6	0	112.6	F546 I547 H549 S553 Y563 I570	F546-K551 HydrophobicContact CD1-CG 4.43Å; F546-K551 HydrophobicContact CE1-CB 3.92Å; F546-K551 HydrophobicContact CE1-CG 3.93Å; F546-K551 VanDerWaalsContact CE2-C 3.48Å; F546-K551 HydrophobicContact CE2-CB 3.97Å; F546-K551 HydrophobicContact CZ-CB 3.54Å; F546-K551 HydrophobicContact CZ-CG 4.1Å; F546-K551 WeakPolarHBondContact O-CA 3.41Å; F546-K551 PolarHBondContact O-N 3.5Å; I547-K551 HydrophobicContact CD1-CG 4.14Å; H549-K551 PolarHBondContact O-N 3.21Å; H549-K551 VanDerWaalsContact O-N 3.08Å; K551-S553 PolarHBondContact O-N 3.11Å; K551-Y563 WeakPolarHBondContact O-CE2 3.3Å; K551-I570 HydrophobicContact CD-CD1 3.7Å; K551-I570 HydrophobicContact CG-CD1 4.02Å
552	S	95.9	Very high	95.1	Very high	44 Å²	44	62.7 Å²	62.7	31%	0.308	30%	0.303	S	S	.	.			trans	-66.6	127.1	-177.9	172.3	0	0	0	0	112.4	H549 Q550 Q554 W555 C556	H549-S552 VanDerWaalsContact O-CB 3.31Å; H549-S552 WeakPolarHBondContact O-CB 3.47Å; H549-S552 PolarHBondContact O-N 2.89Å; Q550-S552 PolarHBondContact O-N 3.09Å; S552-Q554 VanDerWaalsContact C-N 3.35Å; S552-Q554 PolarHBondContact OG-N 3.17Å; S552-W555 PolarHBondContact OG-N 3.29Å; S552-W555 VanDerWaalsContact OG-N 3.17Å; S552-C556 PolarHBondContact O-N 3.4Å; S552-C556 PolarHBondContact O-SG 3.14Å
553	S	93.1	Very high	94.7	Very high	44 Å²	44	66.3 Å²	66.3	31%	0.308	32%	0.317	S	S	.	.	H	α-helix	trans	-65.7	-38.9	171.9	178.6	0	0	0	0	111.4	K551 C556 Q557	K551-S553 PolarHBondContact O-N 3.11Å; S553-C556 WeakPolarHBondContact O-CB 3.46Å; S553-C556 PolarHBondContact O-N 2.86Å; S553-Q557 WeakPolarHBondContact O-CG 3.15Å; S553-Q557 PolarHBondContact O-N 2.97Å; S553-Q557 VanDerWaalsContact O-N 3.11Å
554	Q	94.8	Very high	94.2	Very high	126 Å²	126	73 Å²	73	59%	0.589	35%	0.346	S	S	*	.	H	α-helix	trans	-62.8	-45.8	178	-178.6	-178.8	-11	0	0	111	S552 C556 Q557 E558	S552-Q554 VanDerWaalsContact C-N 3.35Å; S552-Q554 PolarHBondContact OG-N 3.17Å; Q554-C556 VanDerWaalsContact C-N 3.28Å; Q554-C556 PolarHBondContact O-N 3.34Å; Q554-Q557 WeakPolarHBondContact O-CB 3.35Å; Q554-Q557 PolarHBondContact O-N 3.41Å; Q554-E558 WeakPolarHBondContact CG-OE1 3.43Å; Q554-E558 PolarHBondContact NE2-OE1 3.37Å; Q554-E558 WeakPolarHBondContact O-CG 3.34Å; Q554-E558 PolarHBondContact O-N 2.88Å
555	W	96.4	Very high	93.8	Very high	17 Å²	17	68.5 Å²	68.5	6%	0.064	33%	0.327	C	S	.	.	H	α-helix	trans	-58.7	-40.4	176.5	-179.7	82.4	0	0	0	111.9	F529 A545 F546 H549 S552 Q557 E558 H559 L561	F529-W555 AromaticContact CE1-CH2 3.79Å; F529-W555 HydrophobicContact CE1-CH2 3.79Å; F529-W555 AromaticContact CE1-CZ2 3.83Å; F529-W555 HydrophobicContact CE1-CZ2 3.83Å; F529-W555 AromaticContact CZ-CH2 3.78Å; F529-W555 HydrophobicContact CZ-CH2 3.78Å; F529-W555 AromaticContact CZ-CZ2 3.78Å; F529-W555 HydrophobicContact CZ-CZ2 3.78Å; A545-W555 HydrophobicContact CB-CH2 3.68Å; A545-W555 HydrophobicContact CB-CZ2 3.76Å; F546-W555 HydrophobicContact CB-CH2 4.43Å; F546-W555 HydrophobicContact CB-CZ3 3.83Å; F546-W555 HydrophobicContact CD2-CE3 4.05Å; F546-W555 HydrophobicContact CD2-CZ3 4Å; F546-W555 HydrophobicContact CG-CZ3 4.43Å; H549-W555 HydrophobicContact CB-CB 4.36Å; H549-W555 HydrophobicContact CB-CD2 3.87Å; H549-W555 HydrophobicContact CB-CG 3.77Å; H549-W555 AromaticContact CD2-CD1 3.82Å; H549-W555 AromaticContact CD2-CE2 3.43Å; H549-W555 VanDerWaalsContact CD2-CE2 3.43Å; H549-W555 AromaticContact CD2-CZ2 3.83Å; H549-W555 AromaticContact CD2-NE1 3.18Å; H549-W555 PolarHBondContact CD2-NE1 3.5Å; H549-W555 AromaticContact CE1-NE1 3.77Å; H549-W555 AromaticContact CG-CD1 3.54Å; H549-W555 AromaticContact CG-CE2 3.79Å; H549-W555 AromaticContact CG-CG 3.92Å; H549-W555 AromaticContact CG-NE1 3.41Å; H549-W555 AromaticContact ND1-CD1 3.69Å; H549-W555 AromaticContact ND1-NE1 3.77Å; H549-W555 AromaticContact NE2-NE1 3.46Å; H549-W555 PolarHBondContact NE2-NE1 3.07Å; S552-W555 PolarHBondContact OG-N 3.29Å; S552-W555 VanDerWaalsContact OG-N 3.17Å; W555-Q557 VanDerWaalsContact C-N 3.32Å; W555-Q557 PolarHBondContact O-N 3.45Å; W555-E558 PolarHBondContact O-N 3.27Å; W555-H559 AromaticContact CD1-CD2 3.51Å; W555-H559 AromaticContact CD1-NE2 3.67Å; W555-H559 AromaticContact CD2-CD2 3.77Å; W555-H559 AromaticContact CE2-CD2 3.27Å; W555-H559 AromaticContact CE2-NE2 3.68Å; W555-H559 AromaticContact CG-CD2 3.92Å; W555-H559 AromaticContact CZ2-CD2 3.72Å; W555-H559 AromaticContact NE1-CD2 3.11Å; W555-H559 PolarHBondContact NE1-CD2 2.85Å; W555-H559 AromaticContact NE1-NE2 3.1Å; W555-H559 PolarHBondContact NE1-NE2 3.49Å; W555-H559 PolarHBondContact O-CD2 3.31Å; W555-H559 VanDerWaalsContact O-CD2 3.29Å; W555-H559 PolarHBondContact O-N 3.11Å; W555-H559 VanDerWaalsContact O-N 3.08Å; W555-L561 HydrophobicContact CE3-CD1 4.36Å; W555-L561 HydrophobicContact CH2-CD1 3.63Å; W555-L561 HydrophobicContact CZ3-CD1 3.44Å; W555-L561 VanDerWaalsContact CZ3-CD1 3.44Å
556	C	93.7	Very high	93.7	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-38.6	175.1	-66.9	0	0	0	0	112.5	F546 S552 S553 Q554 H559 F560 L561	F546-C556 WeakPolarHBondContact CD2-SG 3.25Å; F546-C556 WeakPolarHBondContact CE2-SG 3.49Å; S552-C556 PolarHBondContact O-N 3.4Å; S552-C556 PolarHBondContact O-SG 3.14Å; S553-C556 WeakPolarHBondContact O-CB 3.46Å; S553-C556 PolarHBondContact O-N 2.86Å; Q554-C556 VanDerWaalsContact C-N 3.28Å; Q554-C556 PolarHBondContact O-N 3.34Å; C556-H559 PolarHBondContact O-N 3.01Å; C556-F560 PolarHBondContact O-N 2.94Å; C556-L561 HydrophobicContact CB-CB 4.2Å; C556-L561 PolarHBondContact O-N 2.97Å
557	Q	91.5	Very high	93.4	Very high	139 Å²	139	70.6 Å²	70.6	65%	0.65	34%	0.336	S	S	*	.	H	α-helix	trans	-66	-44.9	177.6	-68.7	174	9.8	0	0	111.2	S553 Q554 W555 H559 F560	S553-Q557 WeakPolarHBondContact O-CG 3.15Å; S553-Q557 PolarHBondContact O-N 2.97Å; S553-Q557 VanDerWaalsContact O-N 3.11Å; Q554-Q557 WeakPolarHBondContact O-CB 3.35Å; Q554-Q557 PolarHBondContact O-N 3.41Å; W555-Q557 VanDerWaalsContact C-N 3.32Å; W555-Q557 PolarHBondContact O-N 3.45Å; Q557-H559 VanDerWaalsContact C-N 3.27Å; Q557-H559 PolarHBondContact O-N 3.12Å; Q557-F560 PolarHBondContact O-N 2.89Å
558	E	93.8	Very high	92.9	Very high	105 Å²	105	71.6 Å²	71.6	49%	0.491	34%	0.335	S	S	.	.	H	α-helix	trans	-60.6	-35.8	178.1	-70	170	-172.5	0	0	112.5	Q554 W555	Q554-E558 WeakPolarHBondContact CG-OE1 3.43Å; Q554-E558 PolarHBondContact NE2-OE1 3.37Å; Q554-E558 WeakPolarHBondContact O-CG 3.34Å; Q554-E558 PolarHBondContact O-N 2.88Å; W555-E558 PolarHBondContact O-N 3.27Å
559	H	94.9	Very high	92.8	Very high	30 Å²	30	63.5 Å²	63.5	14%	0.139	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	9.3	179.6	-71.3	-70.1	0	0	0	114.7	E525 F529 W555 C556 Q557 L561	E525-H559 IonicContact OE2-CE1 3.29Å; E525-H559 PolarHBondContact OE2-CE1 3.08Å; E525-H559 VanDerWaalsContact OE2-CE1 3.29Å; E525-H559 IonicContact OE2-ND1 3.14Å; E525-H559 PolarHBondContact OE2-ND1 3.26Å; F529-H559 HydrophobicContact CE2-CB 4Å; F529-H559 HydrophobicContact CZ-CB 3.96Å; F529-H559 AromaticContact CZ-CG 3.86Å; F529-H559 AromaticContact CZ-ND1 3.9Å; W555-H559 AromaticContact CD1-CD2 3.51Å; W555-H559 AromaticContact CD1-NE2 3.67Å; W555-H559 AromaticContact CD2-CD2 3.77Å; W555-H559 AromaticContact CE2-CD2 3.27Å; W555-H559 AromaticContact CE2-NE2 3.68Å; W555-H559 AromaticContact CG-CD2 3.92Å; W555-H559 AromaticContact CZ2-CD2 3.72Å; W555-H559 AromaticContact NE1-CD2 3.11Å; W555-H559 PolarHBondContact NE1-CD2 2.85Å; W555-H559 AromaticContact NE1-NE2 3.1Å; W555-H559 PolarHBondContact NE1-NE2 3.49Å; W555-H559 PolarHBondContact O-CD2 3.31Å; W555-H559 VanDerWaalsContact O-CD2 3.29Å; W555-H559 PolarHBondContact O-N 3.11Å; W555-H559 VanDerWaalsContact O-N 3.08Å; C556-H559 PolarHBondContact O-N 3.01Å; Q557-H559 VanDerWaalsContact C-N 3.27Å; Q557-H559 PolarHBondContact O-N 3.12Å; H559-L561 VanDerWaalsContact C-N 3.34Å; H559-L561 HydrophobicContact CB-CD1 4.06Å; H559-L561 HydrophobicContact CB-CG 4.11Å; H559-L561 PolarHBondContact O-N 3.4Å
560	F	93.8	Very high	92.7	Very high	26 Å²	26	61 Å²	61	11%	0.114	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	46.1	179.3	-57.7	-91	0	0	0	113.4	V513 P515 Q518 D521 A522 E525 H526 C556 Q557	V513-F560 PolarHBondContact N-O 2.97Å; V513-F560 WeakPolarHBondContact O-CB 3.49Å; P515-F560 HydrophobicContact CG-CD1 3.76Å; P515-F560 HydrophobicContact CG-CE1 3.9Å; Q518-F560 HydrophobicContact CB-CE1 3.93Å; Q518-F560 HydrophobicContact CB-CZ 4.15Å; D521-F560 HydrophobicContact CB-CE2 4.16Å; D521-F560 HydrophobicContact CB-CZ 4.05Å; A522-F560 HydrophobicContact CB-CB 4.17Å; A522-F560 HydrophobicContact CB-CD1 3.97Å; A522-F560 HydrophobicContact CB-CD2 4.07Å; A522-F560 HydrophobicContact CB-CE1 4.33Å; A522-F560 HydrophobicContact CB-CE2 4.44Å; A522-F560 HydrophobicContact CB-CG 3.81Å; E525-F560 HydrophobicContact CB-CD2 4Å; E525-F560 HydrophobicContact CG-CD2 3.92Å; E525-F560 HydrophobicContact CG-CE2 3.96Å; H526-F560 WeakPolarHBondContact NE2-CB 3.47Å; H526-F560 PolarHBondContact NE2-O 3.19Å; H526-F560 VanDerWaalsContact NE2-O 3.11Å; C556-F560 PolarHBondContact O-N 2.94Å; Q557-F560 PolarHBondContact O-N 2.89Å
561	L	93.6	Very high	92.6	Very high	10 Å²	10	55.9 Å²	55.9	5%	0.052	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-111.4	146.4	179.6	-61.9	174.8	0	0	0	111.5	I511 F512 F529 V542 W555 C556 H559 Y563 L566	I511-L561 HydrophobicContact CG2-CD2 4.29Å; I511-L561 WeakPolarHBondContact O-CA 3.33Å; F512-L561 HydrophobicContact CD1-CD2 3.64Å; F512-L561 HydrophobicContact CE1-CD2 3.8Å; F529-L561 HydrophobicContact CE2-CD1 4.22Å; F529-L561 HydrophobicContact CZ-CD1 4.03Å; V542-L561 HydrophobicContact CG1-CD1 4Å; V542-L561 HydrophobicContact CG1-CD2 4.05Å; W555-L561 HydrophobicContact CE3-CD1 4.36Å; W555-L561 HydrophobicContact CH2-CD1 3.63Å; W555-L561 HydrophobicContact CZ3-CD1 3.44Å; W555-L561 VanDerWaalsContact CZ3-CD1 3.44Å; C556-L561 HydrophobicContact CB-CB 4.2Å; C556-L561 PolarHBondContact O-N 2.97Å; H559-L561 VanDerWaalsContact C-N 3.34Å; H559-L561 HydrophobicContact CB-CD1 4.06Å; H559-L561 HydrophobicContact CB-CG 4.11Å; H559-L561 PolarHBondContact O-N 3.4Å; L561-Y563 PolarHBondContact O-N 3.41Å; L561-Y563 VanDerWaalsContact O-N 3.09Å; L561-L566 HydrophobicContact CB-CD1 4.04Å; L561-L566 HydrophobicContact CD1-CD1 4.32Å
562	N	88.9	Confident	92.5	Very high	50 Å²	50	51.5 Å²	51.5	27%	0.267	25%	0.251	S	S	.	.			trans	-78.7	93.2	177.6	-177.3	-6.5	0	0	0	111.3	N510 I511 V513 K564 G565 L566	N510-N562 WeakPolarHBondContact O-CB 3.22Å; N510-N562 PolarHBondContact O-ND2 3.03Å; I511-N562 PolarHBondContact O-N 3.05Å; V513-N562 HydrophobicContact CG2-CB 4.02Å; N562-K564 PolarHBondContact O-N 3.32Å; N562-K564 PolarHBondContact OD1-N 3.14Å; N562-G565 WeakPolarHBondContact O-CA 3.26Å; N562-G565 PolarHBondContact O-N 3.46Å; N562-G565 PolarHBondContact OD1-N 3.26Å; N562-L566 PolarHBondContact O-N 3.46Å
563	Y	90.4	Very high	92.5	Very high	75 Å²	75	52.4 Å²	52.4	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-52	-47.7	179.9	176.5	-122.6	0	0	0	113.5	F546 K551 L561 G565 L566 L567	F546-Y563 AromaticContact CE2-CD2 3.78Å; F546-Y563 HydrophobicContact CE2-CD2 3.78Å; F546-Y563 AromaticContact CE2-CE2 3.95Å; F546-Y563 HydrophobicContact CE2-CE2 3.95Å; F546-Y563 AromaticContact CZ-CD2 3.8Å; F546-Y563 HydrophobicContact CZ-CD2 3.8Å; F546-Y563 AromaticContact CZ-CE2 3.75Å; F546-Y563 HydrophobicContact CZ-CE2 3.75Å; K551-Y563 WeakPolarHBondContact O-CE2 3.3Å; L561-Y563 PolarHBondContact O-N 3.41Å; L561-Y563 VanDerWaalsContact O-N 3.09Å; Y563-G565 VanDerWaalsContact C-N 3.31Å; Y563-G565 PolarHBondContact O-N 2.92Å; Y563-L566 PolarHBondContact O-N 3.14Å; Y563-L567 HydrophobicContact CD1-CD1 4.29Å; Y563-L567 HydrophobicContact CD2-CG 4.29Å; Y563-L567 HydrophobicContact CE1-CD1 3.67Å; Y563-L567 HydrophobicContact CE1-CG 4.36Å; Y563-L567 HydrophobicContact CE2-CD1 4Å; Y563-L567 HydrophobicContact CE2-CD2 3.95Å; Y563-L567 HydrophobicContact CE2-CG 3.82Å; Y563-L567 PolarHBondContact O-N 3.41Å
564	K	86.3	Confident	92.6	Very high	155 Å²	155	52.9 Å²	52.9	67%	0.674	25%	0.245	S	C	*	.	H	α-helix	trans	-63.6	-38.3	178.7	-67.3	-175.6	178.6	-178.7	0	111.6	N562 R568	N562-K564 PolarHBondContact O-N 3.32Å; N562-K564 PolarHBondContact OD1-N 3.14Å; K564-R568 WeakPolarHBondContact O-CB 3.43Å; K564-R568 PolarHBondContact O-N 3.19Å; K564-R568 VanDerWaalsContact O-N 3.08Å
565	G	87.8	Confident	92.5	Very high	7 Å²	7	49.6 Å²	49.6	7%	0.072	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-45.1	173.4	0	0	0	0	0	112.4	N562 Y563 R568 A569	N562-G565 WeakPolarHBondContact O-CA 3.26Å; N562-G565 PolarHBondContact O-N 3.46Å; N562-G565 PolarHBondContact OD1-N 3.26Å; Y563-G565 VanDerWaalsContact C-N 3.31Å; Y563-G565 PolarHBondContact O-N 2.92Å; G565-R568 WeakPolarHBondContact O-CB 3.43Å; G565-R568 PolarHBondContact O-N 2.82Å; G565-A569 PolarHBondContact O-N 3.49Å
566	L	93.9	Very high	92.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68.1	-41.5	179.5	-68.9	169.7	0	0	0	112.9	M505 I511 V542 F546 L561 N562 Y563 R568 A569 I570	M505-L566 HydrophobicContact CE-CD2 3.62Å; M505-L566 HydrophobicContact SD-CD2 4.01Å; I511-L566 HydrophobicContact CG2-CD2 4.29Å; V542-L566 HydrophobicContact CG1-CD2 4.03Å; F546-L566 HydrophobicContact CB-CD1 4.22Å; F546-L566 HydrophobicContact CD1-CB 3.76Å; F546-L566 HydrophobicContact CD1-CD1 4.26Å; F546-L566 HydrophobicContact CD1-CG 4.42Å; F546-L566 HydrophobicContact CD2-CB 4.49Å; F546-L566 HydrophobicContact CD2-CD1 3.82Å; F546-L566 HydrophobicContact CE1-CB 3.55Å; F546-L566 HydrophobicContact CE2-CB 4.34Å; F546-L566 HydrophobicContact CE2-CD1 4.19Å; F546-L566 HydrophobicContact CG-CB 4.21Å; F546-L566 HydrophobicContact CG-CD1 3.84Å; F546-L566 HydrophobicContact CG-CG 4.47Å; F546-L566 HydrophobicContact CZ-CB 3.87Å; L561-L566 HydrophobicContact CB-CD1 4.04Å; L561-L566 HydrophobicContact CD1-CD1 4.32Å; N562-L566 PolarHBondContact O-N 3.46Å; Y563-L566 PolarHBondContact O-N 3.14Å; L566-R568 VanDerWaalsContact C-N 3.25Å; L566-R568 PolarHBondContact O-N 2.92Å; L566-A569 WeakPolarHBondContact O-CB 3.43Å; L566-A569 PolarHBondContact O-N 3.37Å; L566-A569 VanDerWaalsContact O-N 3.12Å; L566-I570 PolarHBondContact O-N 3.32Å; L566-I570 VanDerWaalsContact O-N 3.11Å
567	L	91.5	Very high	92.6	Very high	60 Å²	60	51.6 Å²	51.6	31%	0.314	24%	0.238	S	C	.	.	H	α-helix	trans	-59	-40.2	171.6	-71.9	-176.9	0	0	0	111.8	F546 Y563 I570 T571	F546-L567 HydrophobicContact CE1-CD2 4.46Å; F546-L567 HydrophobicContact CZ-CD2 4.15Å; Y563-L567 HydrophobicContact CD1-CD1 4.29Å; Y563-L567 HydrophobicContact CD2-CG 4.29Å; Y563-L567 HydrophobicContact CE1-CD1 3.67Å; Y563-L567 HydrophobicContact CE1-CG 4.36Å; Y563-L567 HydrophobicContact CE2-CD1 4Å; Y563-L567 HydrophobicContact CE2-CD2 3.95Å; Y563-L567 HydrophobicContact CE2-CG 3.82Å; Y563-L567 PolarHBondContact O-N 3.41Å; L567-I570 HydrophobicContact CD2-CD1 4.4Å; L567-I570 WeakPolarHBondContact O-CB 3.4Å; L567-I570 PolarHBondContact O-N 3.3Å; L567-T571 PolarHBondContact O-N 3.43Å; L567-T571 PolarHBondContact O-OG1 3.11Å
568	R	87.7	Confident	92.7	Very high	87 Å²	87	52.4 Å²	52.4	33%	0.328	24%	0.235	S	C	.	.	H	α-helix	trans	-66.2	-38.8	175.2	-171.6	173.9	171.1	-142.9	-18	111.7	I508 K564 G565 L566 I570 T571 V572	I508-R568 HydrophobicContact CD1-CB 4.02Å; I508-R568 HydrophobicContact CD1-CG 3.8Å; K564-R568 WeakPolarHBondContact O-CB 3.43Å; K564-R568 PolarHBondContact O-N 3.19Å; K564-R568 VanDerWaalsContact O-N 3.08Å; G565-R568 WeakPolarHBondContact O-CB 3.43Å; G565-R568 PolarHBondContact O-N 2.82Å; L566-R568 VanDerWaalsContact C-N 3.25Å; L566-R568 PolarHBondContact O-N 2.92Å; R568-I570 VanDerWaalsContact C-N 3.27Å; R568-I570 PolarHBondContact O-N 2.94Å; R568-T571 WeakPolarHBondContact O-CB 3.43Å; R568-T571 PolarHBondContact O-N 3.3Å; R568-T571 VanDerWaalsContact O-N 3.09Å; R568-V572 HydrophobicContact CG-CG2 4.46Å; R568-V572 WeakPolarHBondContact O-CG2 3.44Å; R568-V572 PolarHBondContact O-N 2.68Å
569	A	93.8	Very high	92.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.6	-39.9	174.3	0	0	0	0	0	111.9	M505 I508 Y543 G565 L566 T571 V572 R573	M505-A569 HydrophobicContact SD-CB 3.57Å; M505-A569 VanDerWaalsContact SD-CB 3.57Å; I508-A569 HydrophobicContact CG1-CB 3.92Å; Y543-A569 HydrophobicContact CD2-CB 4.49Å; G565-A569 PolarHBondContact O-N 3.49Å; L566-A569 WeakPolarHBondContact O-CB 3.43Å; L566-A569 PolarHBondContact O-N 3.37Å; L566-A569 VanDerWaalsContact O-N 3.12Å; A569-T571 VanDerWaalsContact C-N 3.33Å; A569-T571 PolarHBondContact O-N 2.77Å; A569-V572 PolarHBondContact O-N 3.35Å; A569-R573 VanDerWaalsContact O-CB 3.26Å; A569-R573 WeakPolarHBondContact O-CB 3.37Å; A569-R573 PolarHBondContact O-N 2.9Å
570	I	95.1	Very high	92.7	Very high	35 Å²	35	47.7 Å²	47.7	18%	0.179	21%	0.214	C	C	.	.	H	α-helix	trans	-59.2	-45.5	174.3	-64.1	169.8	0	0	0	110.9	Y543 F546 I547 K551 L566 L567 R568 R573 E574	Y543-I570 HydrophobicContact CE2-CG1 3.78Å; F546-I570 HydrophobicContact CD1-CD1 4.33Å; F546-I570 HydrophobicContact CE1-CD1 3.72Å; I547-I570 HydrophobicContact CD1-CD1 3.9Å; I547-I570 HydrophobicContact CD1-CG1 4.23Å; K551-I570 HydrophobicContact CD-CD1 3.7Å; K551-I570 HydrophobicContact CG-CD1 4.02Å; L566-I570 PolarHBondContact O-N 3.32Å; L566-I570 VanDerWaalsContact O-N 3.11Å; L567-I570 HydrophobicContact CD2-CD1 4.4Å; L567-I570 WeakPolarHBondContact O-CB 3.4Å; L567-I570 PolarHBondContact O-N 3.3Å; R568-I570 VanDerWaalsContact C-N 3.27Å; R568-I570 PolarHBondContact O-N 2.94Å; I570-R573 PolarHBondContact O-N 2.94Å; I570-E574 PolarHBondContact O-N 2.66Å
571	T	91.7	Very high	92.8	Very high	71 Å²	71	49.3 Å²	49.3	44%	0.436	22%	0.224	S	C	.	.	H	α-helix	trans	-64.6	-45	-179.8	-54	0	0	0	0	111.4	L567 R568 A569 R573 E574 Q575	L567-T571 PolarHBondContact O-N 3.43Å; L567-T571 PolarHBondContact O-OG1 3.11Å; R568-T571 WeakPolarHBondContact O-CB 3.43Å; R568-T571 PolarHBondContact O-N 3.3Å; R568-T571 VanDerWaalsContact O-N 3.09Å; A569-T571 VanDerWaalsContact C-N 3.33Å; A569-T571 PolarHBondContact O-N 2.77Å; T571-R573 PolarHBondContact O-N 2.96Å; T571-E574 PolarHBondContact O-N 2.8Å; T571-Q575 WeakPolarHBondContact O-CG 3.34Å; T571-Q575 PolarHBondContact O-N 2.96Å
572	V	93.4	Very high	92.8	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-46.7	175.4	175	0	0	0	0	110.5	F129 Q507 R568 A569 E574 Q575 L576	F129-V572 HydrophobicContact CB-CG2 3.96Å; F129-V572 HydrophobicContact CD1-CB 4.47Å; F129-V572 HydrophobicContact CD1-CG1 4.14Å; F129-V572 HydrophobicContact CD1-CG2 4.22Å; F129-V572 HydrophobicContact CD2-CG1 4.38Å; F129-V572 HydrophobicContact CD2-CG2 3.78Å; F129-V572 HydrophobicContact CE1-CG1 3.91Å; F129-V572 HydrophobicContact CE2-CG1 4.16Å; F129-V572 HydrophobicContact CE2-CG2 4.31Å; F129-V572 HydrophobicContact CG-CB 4.48Å; F129-V572 HydrophobicContact CG-CG1 4.39Å; F129-V572 HydrophobicContact CG-CG2 3.76Å; F129-V572 HydrophobicContact CZ-CG1 3.93Å; Q507-V572 HydrophobicContact CG-CG1 4.32Å; R568-V572 HydrophobicContact CG-CG2 4.46Å; R568-V572 WeakPolarHBondContact O-CG2 3.44Å; R568-V572 PolarHBondContact O-N 2.68Å; A569-V572 PolarHBondContact O-N 3.35Å; V572-E574 VanDerWaalsContact C-N 3.33Å; V572-E574 PolarHBondContact O-N 2.91Å; V572-Q575 PolarHBondContact O-N 3.38Å; V572-L576 HydrophobicContact CG1-CD1 3.93Å; V572-L576 HydrophobicContact CG1-CG 4.24Å; V572-L576 WeakPolarHBondContact O-CG 3.39Å; V572-L576 PolarHBondContact O-N 2.96Å
573	R	96.4	Very high	93.1	Very high	63 Å²	63	53.1 Å²	53.1	24%	0.238	24%	0.237	C	C	.	.	H	α-helix	trans	-58.4	-44.3	179.1	-173	-175	177	-100.3	2	112.3	V500 T501 S504 Y543 A569 I570 T571 Q575 L576 R577	V500-R573 HydrophobicContact CG1-CG 4.17Å; V500-R573 HydrophobicContact CG2-CG 4.18Å; T501-R573 PolarHBondContact OG1-NE 2.85Å; S504-R573 WeakPolarHBondContact OG-CA 3.37Å; S504-R573 VanDerWaalsContact OG-CB 3.3Å; S504-R573 WeakPolarHBondContact OG-CB 3.28Å; S504-R573 PolarHBondContact OG-N 2.9Å; Y543-R573 WeakPolarHBondContact OH-CD 3.45Å; A569-R573 VanDerWaalsContact O-CB 3.26Å; A569-R573 WeakPolarHBondContact O-CB 3.37Å; A569-R573 PolarHBondContact O-N 2.9Å; I570-R573 PolarHBondContact O-N 2.94Å; T571-R573 PolarHBondContact O-N 2.96Å; R573-Q575 VanDerWaalsContact C-N 3.34Å; R573-Q575 PolarHBondContact O-N 2.91Å; R573-L576 PolarHBondContact O-N 3.49Å; R573-R577 WeakPolarHBondContact O-CB 3.14Å; R573-R577 PolarHBondContact O-N 3.39Å
574	E	95.2	Very high	93.3	Very high	54 Å²	54	58.4 Å²	58.4	25%	0.252	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-40.9	178.2	178.2	52.8	-151.3	0	0	111.9	I570 T571 V572 R577 R578	I570-E574 PolarHBondContact O-N 2.66Å; T571-E574 PolarHBondContact O-N 2.8Å; V572-E574 VanDerWaalsContact C-N 3.33Å; V572-E574 PolarHBondContact O-N 2.91Å; E574-R577 WeakPolarHBondContact O-CB 3.36Å; E574-R577 PolarHBondContact O-N 3.03Å; E574-R577 IonicContact OE1-CZ 2.89Å; E574-R577 IonicContact OE1-NE 3.44Å; E574-R577 IonicContact OE1-NH2 3.77Å; E574-R577 PolarHBondContact OE1-NH2 2.94Å; E574-R577 IonicContact OE2-CZ 2.79Å; E574-R577 VanDerWaalsContact OE2-CZ 3.27Å; E574-R577 IonicContact OE2-NE 2.69Å; E574-R577 PolarHBondContact OE2-NE 2.72Å; E574-R577 IonicContact OE2-NH2 3.9Å; E574-R577 PolarHBondContact OE2-NH2 3Å; E574-R578 WeakPolarHBondContact O-CG 3.38Å; E574-R578 PolarHBondContact O-N 3.5Å; E574-R578 IonicContact OE1-CZ 2.73Å; E574-R578 IonicContact OE1-NE 3.57Å; E574-R578 PolarHBondContact OE1-NE 3.32Å; E574-R578 IonicContact OE1-NH2 3.84Å; E574-R578 PolarHBondContact OE1-NH2 3.2Å
575	Q	93.1	Very high	93.7	Very high	58 Å²	58	51.7 Å²	51.7	27%	0.271	23%	0.234	S	C	.	.	H	α-helix	trans	-68.7	-43	177	-68	-176.4	17.6	0	0	112.8	F129 T571 V572 R573 R577 R578 L579	F129-Q575 VanDerWaalsContact CA-OE1 3.23Å; F129-Q575 HydrophobicContact CD1-CB 4.43Å; F129-Q575 VanDerWaalsContact CD1-OE1 3.28Å; F129-Q575 PolarHBondContact O-NE2 3.18Å; T571-Q575 WeakPolarHBondContact O-CG 3.34Å; T571-Q575 PolarHBondContact O-N 2.96Å; V572-Q575 PolarHBondContact O-N 3.38Å; R573-Q575 VanDerWaalsContact C-N 3.34Å; R573-Q575 PolarHBondContact O-N 2.91Å; Q575-R577 VanDerWaalsContact C-N 3.32Å; Q575-R577 PolarHBondContact O-N 2.77Å; Q575-R578 PolarHBondContact O-N 3Å; Q575-L579 PolarHBondContact O-N 3.34Å; Q575-L579 VanDerWaalsContact O-N 3.16Å
576	L	95.6	Very high	93.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-40.6	175.1	-66.8	-179.5	0	0	0	111.2	F129 F477 L479 L487 V500 A503 V572 R573 R578 L579 M580	F129-L576 HydrophobicContact CE1-CD2 4.2Å; F129-L576 HydrophobicContact CE1-CG 4.5Å; F477-L576 HydrophobicContact CD1-CD2 4.05Å; F477-L576 HydrophobicContact CE1-CD2 4.39Å; L479-L576 HydrophobicContact CD1-CD1 3.94Å; L479-L576 HydrophobicContact CD1-CD2 3.6Å; L479-L576 HydrophobicContact CD1-CG 4.45Å; L479-L576 HydrophobicContact CG-CD2 4.14Å; L487-L576 HydrophobicContact CD1-CD1 4.32Å; L487-L576 HydrophobicContact CD1-CD2 4.41Å; V500-L576 HydrophobicContact CG2-CB 3.75Å; A503-L576 HydrophobicContact CB-CD1 4.32Å; V572-L576 HydrophobicContact CG1-CD1 3.93Å; V572-L576 HydrophobicContact CG1-CG 4.24Å; V572-L576 WeakPolarHBondContact O-CG 3.39Å; V572-L576 PolarHBondContact O-N 2.96Å; R573-L576 PolarHBondContact O-N 3.49Å; L576-R578 VanDerWaalsContact C-N 3.33Å; L576-R578 PolarHBondContact O-N 3.48Å; L576-L579 PolarHBondContact O-N 3.05Å; L576-M580 WeakPolarHBondContact O-CG 3.43Å; L576-M580 PolarHBondContact O-N 2.9Å
577	R	95.7	Very high	93.8	Very high	59 Å²	59	60.1 Å²	60.1	22%	0.223	27%	0.273	C	S	.	.	H	α-helix	trans	-59	-41.7	174.2	-173.9	-173	79.9	78.8	-2.1	112.1	R573 E574 Q575 M580 N581	R573-R577 WeakPolarHBondContact O-CB 3.14Å; R573-R577 PolarHBondContact O-N 3.39Å; E574-R577 WeakPolarHBondContact O-CB 3.36Å; E574-R577 PolarHBondContact O-N 3.03Å; E574-R577 IonicContact OE1-CZ 2.89Å; E574-R577 IonicContact OE1-NE 3.44Å; E574-R577 IonicContact OE1-NH2 3.77Å; E574-R577 PolarHBondContact OE1-NH2 2.94Å; E574-R577 IonicContact OE2-CZ 2.79Å; E574-R577 VanDerWaalsContact OE2-CZ 3.27Å; E574-R577 IonicContact OE2-NE 2.69Å; E574-R577 PolarHBondContact OE2-NE 2.72Å; E574-R577 IonicContact OE2-NH2 3.9Å; E574-R577 PolarHBondContact OE2-NH2 3Å; Q575-R577 VanDerWaalsContact C-N 3.32Å; Q575-R577 PolarHBondContact O-N 2.77Å; R577-M580 PolarHBondContact O-N 2.79Å; R577-N581 PolarHBondContact NH1-ND2 2.96Å; R577-N581 WeakPolarHBondContact O-CB 3.38Å; R577-N581 PolarHBondContact O-N 3.44Å; R577-N581 PolarHBondContact O-ND2 3.02Å; R577-N581 PolarHBondContact O-OD1 3.28Å
578	R	94.7	Very high	93.9	Very high	156 Å²	156	61 Å²	61	59%	0.589	28%	0.278	S	S	*	.	H	α-helix	trans	-62.3	-41.5	175.4	-71.7	172.2	-168.4	-174.3	1.1	111.9	E574 Q575 L576 N581 K582	E574-R578 WeakPolarHBondContact O-CG 3.38Å; E574-R578 PolarHBondContact O-N 3.5Å; E574-R578 IonicContact OE1-CZ 2.73Å; E574-R578 IonicContact OE1-NE 3.57Å; E574-R578 PolarHBondContact OE1-NE 3.32Å; E574-R578 IonicContact OE1-NH2 3.84Å; E574-R578 PolarHBondContact OE1-NH2 3.2Å; Q575-R578 PolarHBondContact O-N 3Å; L576-R578 VanDerWaalsContact C-N 3.33Å; L576-R578 PolarHBondContact O-N 3.48Å; R578-N581 PolarHBondContact O-N 3.41Å; R578-K582 PolarHBondContact O-N 3.39Å
579	L	93.4	Very high	94.1	Very high	27 Å²	27	59 Å²	59	14%	0.141	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-44.4	175.2	-68.8	171.5	0	0	0	111.8	F477 P478 Q575 L576 N581 K582 F583	F477-L579 HydrophobicContact CD1-CB 4.32Å; F477-L579 HydrophobicContact CD1-CD1 3.91Å; F477-L579 HydrophobicContact CE1-CB 3.75Å; F477-L579 HydrophobicContact CE1-CD1 4.17Å; F477-L579 HydrophobicContact CZ-CB 4.22Å; P478-L579 HydrophobicContact CG-CD1 4.45Å; Q575-L579 PolarHBondContact O-N 3.34Å; Q575-L579 VanDerWaalsContact O-N 3.16Å; L576-L579 PolarHBondContact O-N 3.05Å; L579-N581 VanDerWaalsContact C-N 3.3Å; L579-N581 PolarHBondContact O-N 2.81Å; L579-K582 WeakPolarHBondContact O-CB 3.39Å; L579-K582 PolarHBondContact O-N 2.96Å; L579-K582 VanDerWaalsContact O-N 3.14Å; L579-F583 HydrophobicContact CB-CE2 4.24Å; L579-F583 WeakPolarHBondContact O-CD2 3.29Å; L579-F583 WeakPolarHBondContact O-CG 3.5Å; L579-F583 PolarHBondContact O-N 3.21Å
580	M	95.8	Very high	93.9	Very high	9 Å²	9	59.7 Å²	59.7	4%	0.044	28%	0.283	C	S	.	.	H	α-helix	trans	-58.8	-41.8	174.9	-70.8	174.6	76.9	0	0	111.9	F477 L487 S490 V500 L576 R577 F583 K584 V585	F477-M580 HydrophobicContact CE1-CG 4.39Å; F477-M580 HydrophobicContact CZ-CG 4.18Å; L487-M580 HydrophobicContact CD2-CE 4.39Å; L487-M580 HydrophobicContact CD2-SD 3.75Å; S490-M580 WeakPolarHBondContact OG-CE 3.5Å; V500-M580 HydrophobicContact CB-SD 3.73Å; V500-M580 HydrophobicContact CG2-SD 3.68Å; L576-M580 WeakPolarHBondContact O-CG 3.43Å; L576-M580 PolarHBondContact O-N 2.9Å; R577-M580 PolarHBondContact O-N 2.79Å; M580-F583 CarbonylContact O-C 3.57Å; M580-F583 PolarHBondContact O-N 3.44Å; M580-K584 PolarHBondContact O-N 3.18Å; M580-V585 HydrophobicContact CB-CB 4.15Å; M580-V585 HydrophobicContact CB-CG2 4.31Å; M580-V585 HydrophobicContact CE-CB 4.28Å; M580-V585 HydrophobicContact CE-CG1 3.79Å; M580-V585 PolarHBondContact O-N 2.76Å
581	N	95.1	Very high	93.6	Very high	60 Å²	60	67 Å²	67	32%	0.321	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-44.2	174	-66	-19.1	0	0	0	111.8	R577 R578 L579 F583 K584 R587	R577-N581 PolarHBondContact NH1-ND2 2.96Å; R577-N581 WeakPolarHBondContact O-CB 3.38Å; R577-N581 PolarHBondContact O-N 3.44Å; R577-N581 PolarHBondContact O-ND2 3.02Å; R577-N581 PolarHBondContact O-OD1 3.28Å; R578-N581 PolarHBondContact O-N 3.41Å; L579-N581 VanDerWaalsContact C-N 3.3Å; L579-N581 PolarHBondContact O-N 2.81Å; N581-F583 PolarHBondContact O-N 3.05Å; N581-K584 PolarHBondContact O-N 3.07Å; N581-R587 WeakPolarHBondContact OD1-CD 3.48Å; N581-R587 PolarHBondContact OD1-NE 3.18Å
582	K	94.6	Very high	93.3	Very high	129 Å²	129	66.9 Å²	66.9	56%	0.561	33%	0.329	S	S	*	.	H	α-helix	trans	-55.3	-39.9	175.2	-178.7	-170.9	174	-168.1	0	110.9	E476 R578 L579 K584	E476-K582 IonicContact OE1-NZ 2.81Å; E476-K582 PolarHBondContact OE1-NZ 3.28Å; E476-K582 IonicContact OE2-NZ 2.73Å; E476-K582 PolarHBondContact OE2-NZ 3.08Å; R578-K582 PolarHBondContact O-N 3.39Å; L579-K582 WeakPolarHBondContact O-CB 3.39Å; L579-K582 PolarHBondContact O-N 2.96Å; L579-K582 VanDerWaalsContact O-N 3.14Å; K582-K584 VanDerWaalsContact C-N 3.3Å; K582-K584 PolarHBondContact O-N 2.58Å
583	F	94.5	Very high	93.2	Very high	11 Å²	11	70.4 Å²	70.4	5%	0.048	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	5.2	179	-56.7	-34.9	0	0	0	114.6	R473 E476 F477 L488 L579 M580 N581 V585	R473-F583 HydrophobicContact CB-CD1 4.37Å; R473-F583 HydrophobicContact CB-CD2 4.17Å; R473-F583 HydrophobicContact CB-CE1 4.45Å; R473-F583 HydrophobicContact CB-CE2 4.24Å; R473-F583 HydrophobicContact CB-CG 4.25Å; R473-F583 HydrophobicContact CB-CZ 4.39Å; R473-F583 HydrophobicContact CG-CB 4.38Å; R473-F583 HydrophobicContact CG-CD1 3.69Å; R473-F583 HydrophobicContact CG-CD2 4.29Å; R473-F583 HydrophobicContact CG-CE1 4.01Å; R473-F583 HydrophobicContact CG-CG 3.86Å; R473-F583 HydrophobicContact CG-CZ 4.45Å; R473-F583 PolarHBondContact NH1-O 3.45Å; E476-F583 HydrophobicContact CB-CE2 4.4Å; E476-F583 HydrophobicContact CB-CZ 3.66Å; E476-F583 HydrophobicContact CG-CZ 4.22Å; E476-F583 WeakPolarHBondContact OE2-CE1 3.37Å; E476-F583 VanDerWaalsContact OE2-CZ 3.25Å; E476-F583 WeakPolarHBondContact OE2-CZ 3.44Å; F477-F583 AromaticContact CD2-CE2 4Å; F477-F583 HydrophobicContact CD2-CE2 4Å; F477-F583 AromaticContact CE2-CD2 3.59Å; F477-F583 HydrophobicContact CE2-CD2 3.59Å; F477-F583 AromaticContact CE2-CE2 3.48Å; F477-F583 HydrophobicContact CE2-CE2 3.48Å; F477-F583 VanDerWaalsContact CE2-CE2 3.48Å; F477-F583 AromaticContact CZ-CD2 3.74Å; F477-F583 HydrophobicContact CZ-CD2 3.74Å; F477-F583 AromaticContact CZ-CE2 3.8Å; F477-F583 HydrophobicContact CZ-CE2 3.8Å; L488-F583 HydrophobicContact CD2-CB 4.34Å; L488-F583 HydrophobicContact CD2-CD2 4.11Å; L579-F583 HydrophobicContact CB-CE2 4.24Å; L579-F583 WeakPolarHBondContact O-CD2 3.29Å; L579-F583 WeakPolarHBondContact O-CG 3.5Å; L579-F583 PolarHBondContact O-N 3.21Å; M580-F583 CarbonylContact O-C 3.57Å; M580-F583 PolarHBondContact O-N 3.44Å; N581-F583 PolarHBondContact O-N 3.05Å; F583-V585 VanDerWaalsContact C-N 3.27Å; F583-V585 HydrophobicContact CB-CG2 4.32Å; F583-V585 PolarHBondContact O-N 2.92Å
584	K	94.6	Very high	93	Very high	185 Å²	185	69 Å²	69	80%	0.804	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	35.9	179	-54	-179.6	179	-179.6	0	113.5	M580 N581 K582 A586	M580-K584 PolarHBondContact O-N 3.18Å; N581-K584 PolarHBondContact O-N 3.07Å; K582-K584 VanDerWaalsContact C-N 3.3Å; K582-K584 PolarHBondContact O-N 2.58Å; K584-A586 PolarHBondContact O-N 3.42Å
585	V	94.3	Very high	92.9	Very high	15 Å²	15	69.8 Å²	69.8	9%	0.091	35%	0.353	C	S	.	.			trans	-69	128.1	170.9	-176.4	0	0	0	0	108.6	L488 M580 F583	L488-V585 HydrophobicContact CD2-CG2 4.03Å; M580-V585 HydrophobicContact CB-CB 4.15Å; M580-V585 HydrophobicContact CB-CG2 4.31Å; M580-V585 HydrophobicContact CE-CB 4.28Å; M580-V585 HydrophobicContact CE-CG1 3.79Å; M580-V585 PolarHBondContact O-N 2.76Å; F583-V585 VanDerWaalsContact C-N 3.27Å; F583-V585 HydrophobicContact CB-CG2 4.32Å; F583-V585 PolarHBondContact O-N 2.92Å
586	A	93.1	Very high	93	Very high	45 Å²	45	68.7 Å²	68.7	37%	0.372	35%	0.349	S	S	.	.			trans	-59	141.1	-179.1	0	0	0	0	0	111.5	S496 K584 N588	S496-A586 WeakPolarHBondContact CB-O 3.38Å; S496-A586 PolarHBondContact OG-O 3Å; K584-A586 PolarHBondContact O-N 3.42Å; A586-N588 PolarHBondContact O-N 3.12Å
587	R	91.6	Very high	93.1	Very high	139 Å²	139	69 Å²	69	53%	0.525	35%	0.351	S	S	.	.			trans	-100.4	67.4	-172.6	-61.5	-176.4	82.8	-168.5	-4	111.5	S496 N581	S496-R587 WeakPolarHBondContact OG-CA 3.45Å; N581-R587 WeakPolarHBondContact OD1-CD 3.48Å; N581-R587 PolarHBondContact OD1-NE 3.18Å
588	N	92.9	Very high	93.1	Very high	77 Å²	77	66.4 Å²	66.4	41%	0.412	34%	0.342	S	S	.	.			trans	-104.3	158	-173.7	-59	5.6	0	0	0	110.9	G494 S496 K497 A586	G494-N588 CarbonylContact O-C 3.07Å; G494-N588 WeakPolarHBondContact O-CB 3.49Å; S496-N588 PolarHBondContact N-O 2.87Å; S496-N588 PolarHBondContact OG-N 3.1Å; S496-N588 PolarHBondContact OG-O 2.93Å; K497-N588 WeakPolarHBondContact CG-O 3.43Å; K497-N588 PolarHBondContact N-O 3.09Å; K497-N588 VanDerWaalsContact N-O 3.11Å; A586-N588 PolarHBondContact O-N 3.12Å
589	S	92.7	Very high	93.2	Very high	47 Å²	47	61.4 Å²	61.4	33%	0.329	32%	0.324	S	S	.	.			trans	-116.3	148.6	174.9	-134.9	0	0	0	0	108.4	G494 E498 E591	G494-S589 CarbonylContact O-C 2.94Å; G494-S589 WeakPolarHBondContact O-CA 3.42Å; G494-S589 PolarHBondContact O-N 3.42Å; G494-S589 VanDerWaalsContact O-N 3.07Å; E498-S589 VanDerWaalsContact OE1-CA 3.26Å; E498-S589 WeakPolarHBondContact OE1-CA 3.21Å; E498-S589 WeakPolarHBondContact OE1-CB 3.45Å; E498-S589 PolarHBondContact OE1-OG 3.36Å; S589-E591 PolarHBondContact O-N 3.4Å
590	S	89	Confident	93.4	Very high	14 Å²	14	60.1 Å²	60.1	10%	0.098	32%	0.317	C	S	.	.			trans	-74.8	0.8	177.4	70.2	0	0	0	0	113.9	G494 E498 G592 D593	G494-S590 PolarHBondContact O-N 3.15Å; E498-S590 PolarHBondContact OE1-N 2.92Å; E498-S590 PolarHBondContact OE2-N 3.42Å; S590-G592 PolarHBondContact O-N 3.26Å; S590-D593 VanDerWaalsContact CB-O 3.29Å; S590-D593 WeakPolarHBondContact CB-O 3.23Å; S590-D593 WeakPolarHBondContact O-CB 3.36Å; S590-D593 PolarHBondContact O-N 2.92Å; S590-D593 PolarHBondContact OG-O 3.3Å; S590-D593 VanDerWaalsContact OG-O 3.07Å
591	E	88.4	Confident	93.4	Very high	189 Å²	189	59.7 Å²	59.7	88%	0.883	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	25.7	-178.4	-57.7	-172.5	171	0	0	113.8	S589	S589-E591 PolarHBondContact O-N 3.4Å
592	G	84.6	Confident	93.5	Very high	68 Å²	68	56.8 Å²	56.8	70%	0.701	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	0.3	-179.5	0	0	0	0	0	114.6	S590 P594	S590-G592 PolarHBondContact O-N 3.26Å; G592-P594 VanDerWaalsContact O-CD 3.28Å; G592-P594 WeakPolarHBondContact O-CD 3.44Å
593	D	91.9	Very high	93.5	Very high	73 Å²	73	51.1 Å²	51.1	39%	0.39	28%	0.276	S	S	.	.			trans	-76.7	114.4	173.1	-172.7	-12.4	0	0	0	110.5	S590 D595 V596	S590-D593 VanDerWaalsContact CB-O 3.29Å; S590-D593 WeakPolarHBondContact CB-O 3.23Å; S590-D593 WeakPolarHBondContact O-CB 3.36Å; S590-D593 PolarHBondContact O-N 2.92Å; S590-D593 PolarHBondContact OG-O 3.3Å; S590-D593 VanDerWaalsContact OG-O 3.07Å; D593-D595 WeakPolarHBondContact OD1-CB 3.28Å; D593-D595 PolarHBondContact OD1-N 3.31Å; D593-V596 HydrophobicContact CB-CG2 4.16Å; D593-V596 WeakPolarHBondContact OD2-CG2 3.49Å
594	P	92.4	Very high	93.6	Very high	34 Å²	34	50.6 Å²	50.6	22%	0.221	27%	0.274	C	S	.	.	H	α-helix	trans	-72	-32	177.6	30.2	-33.9	0	0	0	112.3	E533 L537 G592 V596 I597 L598	E533-P594 HydrophobicContact CG-CB 4.25Å; L537-P594 HydrophobicContact CD2-CB 3.72Å; G592-P594 VanDerWaalsContact O-CD 3.28Å; G592-P594 WeakPolarHBondContact O-CD 3.44Å; P594-V596 VanDerWaalsContact C-N 3.29Å; P594-V596 PolarHBondContact O-N 3.14Å; P594-I597 WeakPolarHBondContact O-CA 3.16Å; P594-I597 WeakPolarHBondContact O-CB 3.47Å; P594-I597 PolarHBondContact O-N 3.16Å; P594-L598 VanDerWaalsContact O-CG 3.29Å; P594-L598 WeakPolarHBondContact O-CG 3.49Å; P594-L598 PolarHBondContact O-N 3.24Å
595	D	93.8	Very high	93.6	Very high	71 Å²	71	41.9 Å²	41.9	38%	0.38	24%	0.236	S	C	.	.	H	α-helix	trans	-65	-36.4	-172	-76.2	-2.2	0	0	0	111.5	D593 I597 L598 K599 W667	D593-D595 WeakPolarHBondContact OD1-CB 3.28Å; D593-D595 PolarHBondContact OD1-N 3.31Å; D595-I597 VanDerWaalsContact C-N 3.3Å; D595-I597 PolarHBondContact O-N 3.39Å; D595-L598 PolarHBondContact O-N 3.32Å; D595-K599 WeakPolarHBondContact O-CB 3.47Å; D595-K599 WeakPolarHBondContact O-CG 3.28Å; D595-K599 PolarHBondContact O-N 3.49Å; D595-W667 HydrophobicContact CB-CZ2 4.43Å
596	V	95.1	Very high	93.6	Very high	34 Å²	34	41.3 Å²	41.3	21%	0.206	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-39.9	174.3	178	0	0	0	0	111.5	F493 C495 D593 P594 C600	F493-V596 HydrophobicContact CB-CG1 3.97Å; F493-V596 WeakPolarHBondContact O-CG1 3.43Å; C495-V596 HydrophobicContact CB-CG1 3.88Å; D593-V596 HydrophobicContact CB-CG2 4.16Å; D593-V596 WeakPolarHBondContact OD2-CG2 3.49Å; P594-V596 VanDerWaalsContact C-N 3.29Å; P594-V596 PolarHBondContact O-N 3.14Å; V596-C600 WeakPolarHBondContact O-CB 3.43Å; V596-C600 PolarHBondContact O-N 2.93Å; V596-C600 VanDerWaalsContact O-N 3.12Å
597	I	96.4	Very high	93.5	Very high	6 Å²	6	40 Å²	40	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-67.9	-46.5	176.3	-55.9	172.9	0	0	0	109.4	C495 E498 I499 I502 L537 L540 P594 D595 C600 I601	C495-I597 HydrophobicContact CB-CG1 4.02Å; E498-I597 HydrophobicContact CB-CD1 3.85Å; E498-I597 HydrophobicContact CB-CG1 4.19Å; E498-I597 HydrophobicContact CG-CD1 3.86Å; E498-I597 HydrophobicContact CG-CG1 4.44Å; I499-I597 HydrophobicContact CD1-CG2 3.84Å; I502-I597 HydrophobicContact CD1-CG2 3.57Å; L537-I597 HydrophobicContact CD1-CG2 4.3Å; L540-I597 HydrophobicContact CD2-CD1 4.17Å; P594-I597 WeakPolarHBondContact O-CA 3.16Å; P594-I597 WeakPolarHBondContact O-CB 3.47Å; P594-I597 PolarHBondContact O-N 3.16Å; D595-I597 VanDerWaalsContact C-N 3.3Å; D595-I597 PolarHBondContact O-N 3.39Å; I597-C600 WeakPolarHBondContact O-CB 3.45Å; I597-C600 PolarHBondContact O-N 3Å; I597-I601 HydrophobicContact CG2-CD1 4.11Å; I597-I601 WeakPolarHBondContact O-CG1 3.25Å; I597-I601 PolarHBondContact O-N 3.29Å
598	L	96.3	Very high	93.6	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-46.5	-179.1	-63.1	176.3	0	0	0	112	E533 L537 P594 D595 C600 I601 V602 T661 W667	E533-L598 HydrophobicContact CB-CD1 4.25Å; E533-L598 HydrophobicContact CB-CD2 4.29Å; E533-L598 HydrophobicContact CG-CD1 4.15Å; L537-L598 HydrophobicContact CD1-CD2 3.59Å; L537-L598 HydrophobicContact CD1-CG 4.4Å; P594-L598 VanDerWaalsContact O-CG 3.29Å; P594-L598 WeakPolarHBondContact O-CG 3.49Å; P594-L598 PolarHBondContact O-N 3.24Å; D595-L598 PolarHBondContact O-N 3.32Å; L598-C600 VanDerWaalsContact C-N 3.3Å; L598-C600 PolarHBondContact O-N 3Å; L598-I601 WeakPolarHBondContact O-CB 3.25Å; L598-I601 PolarHBondContact O-N 3.09Å; L598-I601 VanDerWaalsContact O-N 3.14Å; L598-V602 WeakPolarHBondContact O-CG2 3.24Å; L598-V602 PolarHBondContact O-N 2.99Å; L598-T661 HydrophobicContact CD2-CG2 3.15Å; L598-W667 HydrophobicContact CB-CE3 4.4Å; L598-W667 HydrophobicContact CB-CH2 4.12Å; L598-W667 HydrophobicContact CB-CZ3 3.6Å; L598-W667 HydrophobicContact CD1-CH2 3.91Å; L598-W667 HydrophobicContact CD1-CZ3 3.98Å; L598-W667 HydrophobicContact CG-CZ3 4.43Å
599	K	96.5	Very high	93.7	Very high	50 Å²	50	31.2 Å²	31.2	22%	0.217	19%	0.186	C	C	.	.	H	α-helix	trans	-58.4	-42.2	173.2	-75.4	-172.5	178.5	-154.3	0	111.5	F493 D595 I601 V602 S603 W667 E670 L671	F493-K599 HydrophobicContact CD1-CB 4.14Å; F493-K599 HydrophobicContact CE1-CB 3.75Å; F493-K599 HydrophobicContact CZ-CB 4.46Å; D595-K599 WeakPolarHBondContact O-CB 3.47Å; D595-K599 WeakPolarHBondContact O-CG 3.28Å; D595-K599 PolarHBondContact O-N 3.49Å; K599-I601 PolarHBondContact O-N 2.86Å; K599-V602 WeakPolarHBondContact O-CB 3.45Å; K599-V602 PolarHBondContact O-N 3.14Å; K599-S603 PolarHBondContact O-N 2.9Å; K599-W667 HydrophobicContact CG-CD2 3.91Å; K599-W667 HydrophobicContact CG-CE3 4.28Å; K599-W667 HydrophobicContact CG-CG 4.01Å; K599-E670 IonicContact NZ-OE1 2.91Å; K599-E670 PolarHBondContact NZ-OE1 3Å; K599-E670 IonicContact NZ-OE2 3.29Å; K599-E670 PolarHBondContact NZ-OE2 3.01Å; K599-E670 VanDerWaalsContact NZ-OE2 3.14Å; K599-L671 HydrophobicContact CB-CD1 4.02Å; K599-L671 HydrophobicContact CG-CD1 4.42Å; K599-L671 WeakPolarHBondContact O-CD1 3.42Å
600	C	97	Very high	93.7	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-40.3	175.2	-173.9	0	0	0	0	112.5	M486 S490 F493 C495 I499 V596 I597 L598 S603	M486-C600 PolarHBondContact O-SG 3.17Å; M486-C600 VanDerWaalsContact O-SG 3.38Å; S490-C600 VanDerWaalsContact CA-SG 3.5Å; F493-C600 HydrophobicContact CB-CB 4.14Å; F493-C600 HydrophobicContact CD2-CB 3.77Å; F493-C600 HydrophobicContact CE2-CB 4.36Å; F493-C600 HydrophobicContact CG-CB 3.94Å; C495-C600 WeakPolarHBondContact SG-CB 3.41Å; I499-C600 HydrophobicContact CD1-CB 3.88Å; I499-C600 HydrophobicContact CG1-CB 4.13Å; V596-C600 WeakPolarHBondContact O-CB 3.43Å; V596-C600 PolarHBondContact O-N 2.93Å; V596-C600 VanDerWaalsContact O-N 3.12Å; I597-C600 WeakPolarHBondContact O-CB 3.45Å; I597-C600 PolarHBondContact O-N 3Å; L598-C600 VanDerWaalsContact C-N 3.3Å; L598-C600 PolarHBondContact O-N 3Å; C600-S603 WeakPolarHBondContact O-CB 3.29Å; C600-S603 PolarHBondContact O-N 3.44Å; C600-S603 PolarHBondContact O-OG 2.86Å
601	I	96.8	Very high	94	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-46.2	174.4	-66.4	164.9	0	0	0	110	M486 I499 I502 H536 L537 I597 L598 K599 S603 G604 F605 V645	M486-I601 HydrophobicContact SD-CB 4.36Å; M486-I601 HydrophobicContact SD-CG1 3.93Å; I499-I601 HydrophobicContact CD1-CG1 4.01Å; I502-I601 HydrophobicContact CD1-CD1 4.46Å; H536-I601 HydrophobicContact CB-CD1 3.67Å; L537-I601 HydrophobicContact CD1-CD1 4.49Å; I597-I601 HydrophobicContact CG2-CD1 4.11Å; I597-I601 WeakPolarHBondContact O-CG1 3.25Å; I597-I601 PolarHBondContact O-N 3.29Å; L598-I601 WeakPolarHBondContact O-CB 3.25Å; L598-I601 PolarHBondContact O-N 3.09Å; L598-I601 VanDerWaalsContact O-N 3.14Å; K599-I601 PolarHBondContact O-N 2.86Å; I601-S603 VanDerWaalsContact C-N 3.26Å; I601-S603 PolarHBondContact O-N 2.87Å; I601-G604 PolarHBondContact O-N 2.85Å; I601-G604 VanDerWaalsContact O-N 3.09Å; I601-F605 HydrophobicContact CG2-CD2 4.16Å; I601-F605 PolarHBondContact O-N 3.08Å; I601-V645 HydrophobicContact CG2-CG2 4.02Å
602	V	96.6	Very high	94.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-56.5	-40.5	176.6	173.1	0	0	0	0	111.4	L598 K599 G604 F605 F606 V645 V663 W667 L668 L671	L598-V602 WeakPolarHBondContact O-CG2 3.24Å; L598-V602 PolarHBondContact O-N 2.99Å; K599-V602 WeakPolarHBondContact O-CB 3.45Å; K599-V602 PolarHBondContact O-N 3.14Å; V602-G604 PolarHBondContact O-N 3.11Å; V602-G604 VanDerWaalsContact O-N 3.09Å; V602-F605 PolarHBondContact O-N 3.24Å; V602-F606 HydrophobicContact CG1-CB 4.35Å; V602-F606 WeakPolarHBondContact O-CA 3.39Å; V602-F606 VanDerWaalsContact O-CB 3.27Å; V602-F606 WeakPolarHBondContact O-CB 3.36Å; V602-F606 PolarHBondContact O-N 3.24Å; V602-V645 HydrophobicContact CG2-CG1 4.22Å; V602-V663 HydrophobicContact CG2-CB 4.08Å; V602-V663 HydrophobicContact CG2-CG1 3.51Å; V602-W667 HydrophobicContact CG2-CE3 4.44Å; V602-L668 HydrophobicContact CG1-CD2 3.75Å; V602-L668 HydrophobicContact CG1-CG 4.45Å; V602-L671 HydrophobicContact CB-CD1 3.91Å; V602-L671 HydrophobicContact CG1-CB 4.44Å; V602-L671 HydrophobicContact CG1-CD1 3.81Å
603	S	95.8	Very high	94.5	Very high	9 Å²	9	24.9 Å²	24.9	6%	0.063	13%	0.128	C	C	.	.	H	α-helix	trans	-58.1	-26.8	179.2	80.6	0	0	0	0	114.4	K599 C600 I601 F606	K599-S603 PolarHBondContact O-N 2.9Å; C600-S603 WeakPolarHBondContact O-CB 3.29Å; C600-S603 PolarHBondContact O-N 3.44Å; C600-S603 PolarHBondContact O-OG 2.86Å; I601-S603 VanDerWaalsContact C-N 3.26Å; I601-S603 PolarHBondContact O-N 2.87Å; S603-F606 WeakPolarHBondContact O-CD1 3.48Å; S603-F606 WeakPolarHBondContact O-CE1 3.4Å
604	G	95.5	Very high	94.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-96.9	-34.7	175.3	0	0	0	0	0	113.9	M482 I601 V602	M482-G604 VanDerWaalsContact CB-O 3.26Å; M482-G604 WeakPolarHBondContact CB-O 3.15Å; M482-G604 VanDerWaalsContact CG-O 3.31Å; M482-G604 WeakPolarHBondContact CG-O 3.44Å; I601-G604 PolarHBondContact O-N 2.85Å; I601-G604 VanDerWaalsContact O-N 3.09Å; V602-G604 PolarHBondContact O-N 3.11Å; V602-G604 VanDerWaalsContact O-N 3.09Å
605	F	95.4	Very high	93.9	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	16%	0.161	C	C	.	.	H	α-helix	trans	-108.3	9.9	-170.5	-74	-90.5	0	0	0	114.5	M482 F483 M486 I601 V602 A607 N608 V645 N647	M482-F605 HydrophobicContact CB-CD1 4.33Å; M482-F605 HydrophobicContact CB-CE1 4.11Å; M482-F605 HydrophobicContact CB-CE2 4.42Å; M482-F605 HydrophobicContact CB-CZ 4.15Å; M482-F605 HydrophobicContact CE-CD1 4.49Å; M482-F605 HydrophobicContact CE-CE1 4.25Å; M482-F605 HydrophobicContact SD-CD1 4.16Å; M482-F605 HydrophobicContact SD-CE1 4.41Å; F483-F605 AromaticContact CD1-CE2 3.92Å; F483-F605 HydrophobicContact CD1-CE2 3.92Å; F483-F605 AromaticContact CD1-CZ 3.79Å; F483-F605 HydrophobicContact CD1-CZ 3.79Å; F483-F605 AromaticContact CD2-CZ 3.98Å; F483-F605 HydrophobicContact CD2-CZ 3.98Å; F483-F605 AromaticContact CE1-CE2 3.92Å; F483-F605 HydrophobicContact CE1-CE2 3.92Å; F483-F605 AromaticContact CE1-CZ 3.61Å; F483-F605 HydrophobicContact CE1-CZ 3.61Å; F483-F605 AromaticContact CE2-CZ 3.8Å; F483-F605 HydrophobicContact CE2-CZ 3.8Å; F483-F605 HydrophobicContact CG-CE2 4.35Å; F483-F605 AromaticContact CG-CZ 3.95Å; F483-F605 HydrophobicContact CG-CZ 3.95Å; F483-F605 HydrophobicContact CZ-CE1 4.48Å; F483-F605 HydrophobicContact CZ-CE2 4.37Å; F483-F605 AromaticContact CZ-CZ 3.6Å; F483-F605 HydrophobicContact CZ-CZ 3.6Å; M486-F605 HydrophobicContact SD-CD2 4.24Å; M486-F605 HydrophobicContact SD-CE2 3.92Å; I601-F605 HydrophobicContact CG2-CD2 4.16Å; I601-F605 PolarHBondContact O-N 3.08Å; V602-F605 PolarHBondContact O-N 3.24Å; F605-A607 PolarHBondContact O-N 3.24Å; F605-N608 CarbonylContact O-C 3.52Å; F605-N608 WeakPolarHBondContact O-CA 2.95Å; F605-N608 PolarHBondContact O-N 3.02Å; F605-V645 HydrophobicContact CB-CB 4.43Å; F605-N647 HydrophobicContact CE1-CB 4.28Å; F605-N647 VanDerWaalsContact CE1-OD1 3.23Å; F605-N647 WeakPolarHBondContact CE1-OD1 3.31Å
606	F	94.3	Very high	93.4	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.018	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-31.5	-179.5	63.6	-95.3	0	0	0	113	A456 L457 V602 S603 N608 L668 A672 F675 Y676	A456-F606 HydrophobicContact CB-CE2 4.14Å; A456-F606 HydrophobicContact CB-CZ 4.09Å; A456-F606 WeakPolarHBondContact O-CZ 3.33Å; L457-F606 HydrophobicContact CD2-CE1 3.77Å; L457-F606 HydrophobicContact CD2-CZ 4Å; V602-F606 HydrophobicContact CG1-CB 4.35Å; V602-F606 WeakPolarHBondContact O-CA 3.39Å; V602-F606 VanDerWaalsContact O-CB 3.27Å; V602-F606 WeakPolarHBondContact O-CB 3.36Å; V602-F606 PolarHBondContact O-N 3.24Å; S603-F606 WeakPolarHBondContact O-CD1 3.48Å; S603-F606 WeakPolarHBondContact O-CE1 3.4Å; F606-N608 PolarHBondContact O-N 3.13Å; F606-L668 HydrophobicContact CB-CD2 4.1Å; F606-A672 HydrophobicContact CB-CB 4.03Å; F606-A672 HydrophobicContact CD1-CB 4.11Å; F606-A672 HydrophobicContact CD2-CB 3.68Å; F606-A672 HydrophobicContact CE2-CB 4.2Å; F606-A672 HydrophobicContact CG-CB 3.66Å; F606-F675 HydrophobicContact CD2-CB 4.16Å; F606-F675 HydrophobicContact CD2-CD1 4.15Å; F606-F675 HydrophobicContact CD2-CD2 4.23Å; F606-F675 AromaticContact CD2-CG 3.94Å; F606-F675 HydrophobicContact CD2-CG 3.94Å; F606-F675 HydrophobicContact CE2-CB 4.04Å; F606-F675 HydrophobicContact CE2-CD1 4.44Å; F606-F675 AromaticContact CE2-CD2 3.7Å; F606-F675 HydrophobicContact CE2-CD2 3.7Å; F606-F675 HydrophobicContact CE2-CE2 4.15Å; F606-F675 AromaticContact CE2-CG 3.83Å; F606-F675 HydrophobicContact CE2-CG 3.83Å; F606-Y676 HydrophobicContact CB-CE2 4.19Å; F606-Y676 HydrophobicContact CD2-CE2 4.4Å; F606-Y676 VanDerWaalsContact O-CE2 3.32Å; F606-Y676 WeakPolarHBondContact O-CE2 3.26Å; F606-Y676 PolarHBondContact O-OH 3.12Å
607	A	91.6	Very high	93.2	Very high	18 Å²	18	29.1 Å²	29.1	15%	0.149	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.6	178.4	0	0	0	0	0	113.4	L453 F605 F675	L453-A607 HydrophobicContact CD1-CB 3.79Å; F605-A607 PolarHBondContact O-N 3.24Å; A607-F675 HydrophobicContact CB-CE2 4.45Å; A607-F675 HydrophobicContact CB-CZ 4.17Å
608	N	93	Very high	93.1	Very high	28 Å²	28	29.1 Å²	29.1	15%	0.15	16%	0.159	C	C	.	.	S	Bend	trans	-106	65.4	-179.8	-68.6	1.3	0	0	0	110.2	F605 F606 V645 F646 N647	F605-N608 CarbonylContact O-C 3.52Å; F605-N608 WeakPolarHBondContact O-CA 2.95Å; F605-N608 PolarHBondContact O-N 3.02Å; F606-N608 PolarHBondContact O-N 3.13Å; N608-V645 VanDerWaalsContact O-CA 3.27Å; N608-V645 WeakPolarHBondContact O-CA 3.43Å; N608-F646 VanDerWaalsContact C-CE1 3.5Å; N608-F646 HydrophobicContact CB-CD1 4.44Å; N608-F646 HydrophobicContact CB-CD2 4.07Å; N608-F646 HydrophobicContact CB-CE1 4.23Å; N608-F646 HydrophobicContact CB-CE2 3.82Å; N608-F646 HydrophobicContact CB-CG 4.37Å; N608-F646 HydrophobicContact CB-CZ 3.92Å; N608-F646 WeakPolarHBondContact CB-O 3.22Å; N608-F646 PolarHBondContact ND2-O 2.88Å; N608-F646 VanDerWaalsContact O-CD1 3.3Å; N608-F646 WeakPolarHBondContact O-CD1 3.3Å; N608-F646 WeakPolarHBondContact O-CE1 3.4Å; N608-F646 PolarHBondContact O-N 3.06Å; N608-F646 VanDerWaalsContact O-N 3.08Å; N608-N647 PolarHBondContact ND2-O 3.08Å
609	A	93.8	Very high	92.9	Very high	3 Å²	3	32 Å²	32	3%	0.025	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	145.9	179.4	0	0	0	0	0	112.1	L621 V644 V645 L668	A609-L621 HydrophobicContact CB-CD1 3.5Å; A609-L621 HydrophobicContact CB-CG 4.13Å; A609-L621 PolarHBondContact O-N 3.4Å; A609-L621 VanDerWaalsContact O-N 3.13Å; A609-V644 CarbonylContact C-O 3.54Å; A609-V644 VanDerWaalsContact CA-O 3.31Å; A609-V644 WeakPolarHBondContact CA-O 3.47Å; A609-V645 HydrophobicContact CB-CG1 4.27Å; A609-L668 HydrophobicContact CB-CD1 4.1Å; A609-L668 HydrophobicContact CB-CD2 4.09Å
610	A	94.3	Very high	92.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154.8	177.1	0	0	0	0	0	111.7	Y618 R619 W643 V644 F646 M657	A610-Y618 HydrophobicContact CB-CD1 4.27Å; A610-R619 CarbonylContact C-O 3.56Å; A610-R619 VanDerWaalsContact CA-O 3.24Å; A610-R619 WeakPolarHBondContact CA-O 3.29Å; A610-R619 WeakPolarHBondContact CB-O 3.43Å; A610-W643 WeakPolarHBondContact O-CA 3.47Å; A610-V644 HydrophobicContact CB-CG2 4Å; A610-V644 PolarHBondContact N-O 3.49Å; A610-V644 PolarHBondContact O-N 3.4Å; A610-F646 HydrophobicContact CB-CE1 4.18Å; A610-M657 HydrophobicContact CB-CE 4.45Å; A610-M657 HydrophobicContact CB-SD 3.73Å
611	R	94.2	Very high	92	Very high	96 Å²	96	31.4 Å²	31.4	36%	0.362	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	150.2	174.6	65.5	-177.3	-178.3	171.8	1.2	111.6	Y618 R619 L621 K642 W643	R611-Y618 CarbonylContact O-C 3.57Å; R611-Y618 VanDerWaalsContact O-CA 3.25Å; R611-Y618 WeakPolarHBondContact O-CA 3.29Å; R611-R619 PolarHBondContact N-O 2.86Å; R611-R619 PolarHBondContact O-N 3.47Å; R611-L621 HydrophobicContact CB-CD2 3.8Å; R611-L621 HydrophobicContact CG-CD2 3.69Å; R611-K642 CarbonylContact C-O 3.56Å; R611-K642 VanDerWaalsContact CA-O 3.28Å; R611-K642 WeakPolarHBondContact CA-O 3.33Å; R611-W643 HydrophobicContact CB-CD2 4.02Å; R611-W643 HydrophobicContact CB-CE3 3.66Å; R611-W643 HydrophobicContact CB-CH2 4.21Å; R611-W643 HydrophobicContact CB-CZ3 3.79Å; R611-W643 HydrophobicContact CG-CZ3 4.42Å
612	I	92.7	Very high	91.1	Very high	52 Å²	52	33.9 Å²	33.9	27%	0.267	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	135.6	171	-164.8	168.2	0	0	0	110.6	Y618 P640 K642	I612-Y618 HydrophobicContact CB-CD1 4.44Å; I612-Y618 HydrophobicContact CB-CE1 4.14Å; I612-P640 HydrophobicContact CD1-CB 3.75Å; I612-P640 HydrophobicContact CD1-CG 3.32Å; I612-K642 HydrophobicContact CG2-CB 4.46Å; I612-K642 PolarHBondContact N-O 2.97Å
613	H	91.2	Very high	90.4	Very high	36 Å²	36	37.1 Å²	37.1	17%	0.167	20%	0.196	C	C	.	.			trans	-99	158.8	173.8	-172.2	-105	0	0	0	110.1	S615 G616 S617 R619	H613-S615 PolarHBondContact ND1-N 3.42Å; H613-S615 PolarHBondContact ND1-OG 3.49Å; H613-S615 PolarHBondContact O-N 3.01Å; H613-G616 PolarHBondContact O-N 2.94Å; H613-S617 WeakPolarHBondContact CA-O 3.35Å; H613-S617 VanDerWaalsContact CB-O 3.24Å; H613-S617 WeakPolarHBondContact CB-O 3.37Å; H613-S617 PolarHBondContact N-O 3.11Å; H613-R619 HydrophobicContact CB-CG 4.18Å
614	H	85.8	Confident	89.8	Confident	176 Å²	176	40.3 Å²	40.3	82%	0.815	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.1	-179.8	63.8	74.2	0	0	0	113.6	G616	H614-G616 PolarHBondContact O-N 2.87Å
615	S	85.3	Confident	89.5	Confident	70 Å²	70	42.3 Å²	42.3	49%	0.49	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8	172.6	53.3	0	0	0	0	113.8	H613 S617	H613-S615 PolarHBondContact ND1-N 3.42Å; H613-S615 PolarHBondContact ND1-OG 3.49Å; H613-S615 PolarHBondContact O-N 3.01Å; S615-S617 PolarHBondContact O-N 2.96Å; S615-S617 PolarHBondContact OG-OG 3.06Å
616	G	84.2	Confident	89.4	Confident	51 Å²	51	46.6 Å²	46.6	53%	0.526	24%	0.243	S	C	.	.	S	Bend	trans	81.5	-4	-172.5	0	0	0	0	0	114.3	H613 H614	H613-G616 PolarHBondContact O-N 2.94Å; H614-G616 PolarHBondContact O-N 2.87Å
617	S	90.7	Very high	89.3	Confident	4 Å²	4	46.4 Å²	46.4	3%	0.028	24%	0.242	C	C	.	.			trans	-86	161.4	166.8	51.8	0	0	0	0	111.4	H613 S615 E626	H613-S617 WeakPolarHBondContact CA-O 3.35Å; H613-S617 VanDerWaalsContact CB-O 3.24Å; H613-S617 WeakPolarHBondContact CB-O 3.37Å; H613-S617 PolarHBondContact N-O 3.11Å; S615-S617 PolarHBondContact O-N 2.96Å; S615-S617 PolarHBondContact OG-OG 3.06Å; S617-E626 WeakPolarHBondContact CB-OE1 3.47Å; S617-E626 PolarHBondContact OG-OE1 3.4Å
618	Y	93.9	Very high	89.4	Confident	7 Å²	7	47.3 Å²	47.3	3%	0.027	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	152.9	173.4	-77.8	-101.9	0	0	0	110.1	A610 R611 I612 E626 L627 I629 P640 P641 V644 M657	A610-Y618 HydrophobicContact CB-CD1 4.27Å; R611-Y618 CarbonylContact O-C 3.57Å; R611-Y618 VanDerWaalsContact O-CA 3.25Å; R611-Y618 WeakPolarHBondContact O-CA 3.29Å; I612-Y618 HydrophobicContact CB-CD1 4.44Å; I612-Y618 HydrophobicContact CB-CE1 4.14Å; Y618-E626 CarbonylContact O-C 3.6Å; Y618-E626 WeakPolarHBondContact O-CA 3.41Å; Y618-L627 WeakPolarHBondContact CA-O 3.4Å; Y618-L627 WeakPolarHBondContact CB-O 3.37Å; Y618-L627 PolarHBondContact N-O 3.17Å; Y618-L627 PolarHBondContact O-N 3.08Å; Y618-I629 HydrophobicContact CD2-CD1 4.49Å; Y618-I629 HydrophobicContact CD2-CG1 4.19Å; Y618-I629 HydrophobicContact CE2-CD1 3.59Å; Y618-I629 HydrophobicContact CE2-CG1 3.76Å; Y618-I629 WeakPolarHBondContact OH-CD1 3.47Å; Y618-P640 HydrophobicContact CE2-CB 4.36Å; Y618-P640 WeakPolarHBondContact OH-CB 3.31Å; Y618-P641 WeakPolarHBondContact CE1-O 3.47Å; Y618-P641 VanDerWaalsContact OH-CD 3.29Å; Y618-P641 WeakPolarHBondContact OH-CD 3.37Å; Y618-P641 PolarHBondContact OH-O 2.89Å; Y618-V644 HydrophobicContact CD1-CG2 3.81Å; Y618-V644 HydrophobicContact CE1-CB 4.49Å; Y618-V644 HydrophobicContact CE1-CG1 3.91Å; Y618-V644 HydrophobicContact CE1-CG2 3.75Å; Y618-M657 HydrophobicContact CD1-CE 3.95Å; Y618-M657 HydrophobicContact CD2-CE 3.95Å; Y618-M657 HydrophobicContact CG-CE 3.57Å
619	R	92.1	Very high	89.4	Confident	65 Å²	65	46.7 Å²	46.7	25%	0.245	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.5	171	-65.6	-164.9	-178.3	-172.3	-0.9	111.7	A610 R611 H613 D624 L625	A610-R619 CarbonylContact C-O 3.56Å; A610-R619 VanDerWaalsContact CA-O 3.24Å; A610-R619 WeakPolarHBondContact CA-O 3.29Å; A610-R619 WeakPolarHBondContact CB-O 3.43Å; R611-R619 PolarHBondContact N-O 2.86Å; R611-R619 PolarHBondContact O-N 3.47Å; H613-R619 HydrophobicContact CB-CG 4.18Å; R619-D624 WeakPolarHBondContact CB-OD1 3.45Å; R619-D624 VanDerWaalsContact CD-CG 3.46Å; R619-D624 WeakPolarHBondContact CD-OD1 3.32Å; R619-D624 IonicContact CZ-OD2 3.49Å; R619-D624 IonicContact NH1-OD1 3.46Å; R619-D624 IonicContact NH1-OD2 3.27Å; R619-D624 PolarHBondContact NH1-OD2 3.35Å; R619-L625 CarbonylContact C-O 3.58Å; R619-L625 VanDerWaalsContact CA-O 3.25Å; R619-L625 WeakPolarHBondContact CA-O 3.45Å
620	T	90.5	Very high	89.3	Confident	10 Å²	10	48.8 Å²	48.8	6%	0.061	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	142	175.1	61.2	0	0	0	0	110.7	I365 R622 D623 D624 L625 L627	I365-T620 HydrophobicContact CD1-CG2 4.36Å; T620-R622 PolarHBondContact O-N 2.99Å; T620-D623 PolarHBondContact OG1-N 2.94Å; T620-D624 WeakPolarHBondContact O-CA 3.36Å; T620-D624 PolarHBondContact O-N 3.23Å; T620-D624 VanDerWaalsContact O-N 3.1Å; T620-D624 PolarHBondContact OG1-N 3.38Å; T620-L625 HydrophobicContact CG2-CB 4.14Å; T620-L625 PolarHBondContact N-O 3.29Å; T620-L625 PolarHBondContact OG1-N 3.03Å; T620-L627 HydrophobicContact CG2-CD1 3.34Å; T620-L627 HydrophobicContact CG2-CG 4.03Å
621	L	85.5	Confident	89	Confident	28 Å²	28	51.9 Å²	51.9	15%	0.147	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-19.4	-178.5	-55.7	-177.4	0	0	0	113.2	A609 R611 W643 L668 Y676 L692	A609-L621 HydrophobicContact CB-CD1 3.5Å; A609-L621 HydrophobicContact CB-CG 4.13Å; A609-L621 PolarHBondContact O-N 3.4Å; A609-L621 VanDerWaalsContact O-N 3.13Å; R611-L621 HydrophobicContact CB-CD2 3.8Å; R611-L621 HydrophobicContact CG-CD2 3.69Å; L621-W643 HydrophobicContact CD1-CE3 3.81Å; L621-W643 HydrophobicContact CD1-CZ3 3.71Å; L621-W643 HydrophobicContact CD2-CE3 3.82Å; L621-W643 HydrophobicContact CD2-CH2 4.34Å; L621-W643 HydrophobicContact CD2-CZ3 3.32Å; L621-W643 HydrophobicContact CG-CE3 4.42Å; L621-W643 HydrophobicContact CG-CZ3 4.14Å; L621-L668 HydrophobicContact CD1-CD1 3.65Å; L621-Y676 HydrophobicContact CB-CE1 3.92Å; L621-Y676 HydrophobicContact CD1-CE1 4.16Å; L621-L692 HydrophobicContact CB-CD2 4.18Å; L621-L692 HydrophobicContact CD1-CD2 3.59Å; L621-L692 HydrophobicContact CD2-CD2 4.38Å; L621-L692 HydrophobicContact CG-CD2 4.24Å
622	R	77.4	Confident	88.6	Confident	52 Å²	52	51.1 Å²	51.1	20%	0.196	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-48.9	-174.7	-172.5	-170	157.5	139.1	13	112.3	T620	T620-R622 PolarHBondContact O-N 2.99Å
623	D	80.6	Confident	88.5	Confident	69 Å²	69	49 Å²	49	37%	0.369	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	9	-166.2	-50.9	-62.2	0	0	0	112.9	T363 T620 L625	T363-D623 WeakPolarHBondContact CA-OD2 3.38Å; T620-D623 PolarHBondContact OG1-N 2.94Å; D623-L625 PolarHBondContact O-N 3.03Å; D623-L625 VanDerWaalsContact O-N 3.15Å
624	D	84.9	Confident	88.5	Confident	75 Å²	75	49.8 Å²	49.8	40%	0.401	28%	0.275	S	S	.	.			trans	54.9	30	179.4	-155.8	48.5	0	0	0	114.1	R619 T620	R619-D624 WeakPolarHBondContact CB-OD1 3.45Å; R619-D624 VanDerWaalsContact CD-CG 3.46Å; R619-D624 WeakPolarHBondContact CD-OD1 3.32Å; R619-D624 IonicContact CZ-OD2 3.49Å; R619-D624 IonicContact NH1-OD1 3.46Å; R619-D624 IonicContact NH1-OD2 3.27Å; R619-D624 PolarHBondContact NH1-OD2 3.35Å; T620-D624 WeakPolarHBondContact O-CA 3.36Å; T620-D624 PolarHBondContact O-N 3.23Å; T620-D624 VanDerWaalsContact O-N 3.1Å; T620-D624 PolarHBondContact OG1-N 3.38Å
625	L	88.4	Confident	88.6	Confident	43 Å²	43	42.3 Å²	42.3	23%	0.225	24%	0.241	C	C	.	.			trans	-75.5	130.6	-179.8	-176.7	73.4	0	0	0	110.5	T363 I365 R619 T620 D623 L627	T363-L625 HydrophobicContact CG2-CD2 4.21Å; I365-L625 HydrophobicContact CD1-CD2 3.27Å; R619-L625 CarbonylContact C-O 3.58Å; R619-L625 VanDerWaalsContact CA-O 3.25Å; R619-L625 WeakPolarHBondContact CA-O 3.45Å; T620-L625 HydrophobicContact CG2-CB 4.14Å; T620-L625 PolarHBondContact N-O 3.29Å; T620-L625 PolarHBondContact OG1-N 3.03Å; D623-L625 PolarHBondContact O-N 3.03Å; D623-L625 VanDerWaalsContact O-N 3.15Å; L625-L627 HydrophobicContact CD2-CD2 4.06Å; L625-L627 HydrophobicContact CG-CD2 4.48Å; L625-L627 PolarHBondContact O-N 3.22Å
626	E	92.6	Very high	88.6	Confident	92 Å²	92	45.7 Å²	45.7	43%	0.43	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	126.1	175.1	-175	168.6	-155.3	0	0	112.7	S617 Y618 H628	S617-E626 WeakPolarHBondContact CB-OE1 3.47Å; S617-E626 PolarHBondContact OG-OE1 3.4Å; Y618-E626 CarbonylContact O-C 3.6Å; Y618-E626 WeakPolarHBondContact O-CA 3.41Å; E626-H628 IonicContact OE1-NE2 2.68Å
627	L	92.5	Very high	88.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	161.1	-179.6	-61.7	-178.3	0	0	0	110.5	I365 Y618 T620 L625 F646 V649 Y655 M657	I365-L627 HydrophobicContact CD1-CD2 4.37Å; Y618-L627 WeakPolarHBondContact CA-O 3.4Å; Y618-L627 WeakPolarHBondContact CB-O 3.37Å; Y618-L627 PolarHBondContact N-O 3.17Å; Y618-L627 PolarHBondContact O-N 3.08Å; T620-L627 HydrophobicContact CG2-CD1 3.34Å; T620-L627 HydrophobicContact CG2-CG 4.03Å; L625-L627 HydrophobicContact CD2-CD2 4.06Å; L625-L627 HydrophobicContact CG-CD2 4.48Å; L625-L627 PolarHBondContact O-N 3.22Å; L627-F646 HydrophobicContact CD1-CE1 4.14Å; L627-F646 HydrophobicContact CD1-CZ 4.1Å; L627-V649 HydrophobicContact CD2-CG1 3.99Å; L627-V649 HydrophobicContact CD2-CG2 4.47Å; L627-Y655 CarbonylContact C-O 3.43Å; L627-Y655 VanDerWaalsContact CD2-CB 3.42Å; L627-Y655 HydrophobicContact CD2-CG 4.28Å; L627-M657 HydrophobicContact CB-CE 4.3Å; L627-M657 HydrophobicContact CB-CG 3.97Å; L627-M657 HydrophobicContact CB-SD 4.07Å; L627-M657 HydrophobicContact CD1-CG 3.69Å; L627-M657 HydrophobicContact CD1-SD 3.73Å; L627-M657 HydrophobicContact CG-CG 4.38Å
628	H	93.4	Very high	86.7	Confident	37 Å²	37	55 Å²	55	17%	0.171	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.9	173.9	-61.3	-86.5	0	0	0	110.4	E626 K654 Y655 Y656 M657	E626-H628 IonicContact OE1-NE2 2.68Å; H628-K654 WeakPolarHBondContact NE2-CD 3.27Å; H628-Y655 PolarHBondContact N-O 3.17Å; H628-Y656 HydrophobicContact CB-CD1 3.71Å; H628-Y656 HydrophobicContact CB-CE1 3.78Å; H628-Y656 CarbonylContact O-C 3.47Å; H628-Y656 WeakPolarHBondContact O-CA 3.45Å; H628-M657 PolarHBondContact O-N 2.83Å
629	I	93.3	Very high	86	Confident	14 Å²	14	64.2 Å²	64.2	7%	0.072	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.3	169.5	-66.8	177.2	0	0	0	108.4	Y618 L635 M657 V660	Y618-I629 HydrophobicContact CD2-CD1 4.49Å; Y618-I629 HydrophobicContact CD2-CG1 4.19Å; Y618-I629 HydrophobicContact CE2-CD1 3.59Å; Y618-I629 HydrophobicContact CE2-CG1 3.76Å; Y618-I629 WeakPolarHBondContact OH-CD1 3.47Å; I629-L635 HydrophobicContact CD1-CB 4.1Å; I629-M657 HydrophobicContact CG1-CE 3.84Å; I629-V660 HydrophobicContact CD1-CG1 4.45Å; I629-V660 HydrophobicContact CG1-CG1 4.47Å; I629-V660 HydrophobicContact CG2-CG2 4.48Å
630	H	91.4	Very high	85.6	Confident	47 Å²	47	63.7 Å²	63.7	22%	0.218	33%	0.332	C	S	.	.			trans	-64.4	139.9	177.4	-170.2	-96.1	0	0	0	111.3	S632 S633 M657 R658	H630-S632 WeakPolarHBondContact ND1-CB 3.4Å; H630-S632 PolarHBondContact ND1-N 3.07Å; H630-S632 PolarHBondContact ND1-OG 2.93Å; H630-S632 PolarHBondContact O-N 3.31Å; H630-S633 WeakPolarHBondContact O-CB 3.25Å; H630-S633 PolarHBondContact O-N 3.38Å; H630-M657 WeakPolarHBondContact CB-O 3.4Å; H630-M657 PolarHBondContact N-O 3.33Å; H630-R658 HydrophobicContact CB-CG 3.8Å
631	P	88.8	Confident	85.5	Confident	66 Å²	66	64.4 Å²	64.4	43%	0.429	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-15	-178.3	-26.8	35.3	0	0	0	116.5	Y636	P631-Y636 HydrophobicContact CB-CD1 4.29Å; P631-Y636 HydrophobicContact CB-CD2 4.35Å; P631-Y636 HydrophobicContact CB-CE1 4.12Å; P631-Y636 HydrophobicContact CB-CE2 4.17Å; P631-Y636 HydrophobicContact CB-CG 4.41Å; P631-Y636 HydrophobicContact CG-CD2 4.45Å; P631-Y636 HydrophobicContact CG-CE2 3.98Å
632	S	86.6	Confident	85.8	Confident	80 Å²	80	70.8 Å²	70.8	56%	0.559	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-12	175.8	71.9	0	0	0	0	113.9	H630	H630-S632 WeakPolarHBondContact ND1-CB 3.4Å; H630-S632 PolarHBondContact ND1-N 3.07Å; H630-S632 PolarHBondContact ND1-OG 2.93Å; H630-S632 PolarHBondContact O-N 3.31Å
633	S	90.5	Very high	86.6	Confident	7 Å²	7	70.3 Å²	70.3	5%	0.049	36%	0.362	C	S	.	.	S	Bend	trans	-74.2	145.7	-179.5	-179	0	0	0	0	110.3	D535 H630 L635 Y636	D535-S633 VanDerWaalsContact CG-OG 3.22Å; D535-S633 WeakPolarHBondContact OD1-CA 3.47Å; D535-S633 PolarHBondContact OD1-OG 3.01Å; D535-S633 VanDerWaalsContact OD1-OG 3.13Å; D535-S633 VanDerWaalsContact OD2-CB 3.23Å; D535-S633 WeakPolarHBondContact OD2-CB 3.25Å; D535-S633 PolarHBondContact OD2-OG 2.89Å; H630-S633 WeakPolarHBondContact O-CB 3.25Å; H630-S633 PolarHBondContact O-N 3.38Å; S633-L635 PolarHBondContact O-N 3.23Å; S633-L635 PolarHBondContact OG-N 3.32Å; S633-Y636 VanDerWaalsContact O-CB 3.25Å; S633-Y636 WeakPolarHBondContact O-CB 3.34Å; S633-Y636 PolarHBondContact O-N 3.24Å; S633-Y636 VanDerWaalsContact O-N 3.11Å
634	V	89.5	Confident	87.4	Confident	52 Å²	52	67 Å²	67	32%	0.315	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.8	172.7	-57.2	0	0	0	0	112.2	A530 V531 D535 T538 Y636	A530-V634 HydrophobicContact CB-CB 4.17Å; A530-V634 HydrophobicContact CB-CG1 3.76Å; V531-V634 WeakPolarHBondContact O-CG2 3.27Å; D535-V634 WeakPolarHBondContact OD1-CG2 3.35Å; D535-V634 PolarHBondContact OD1-N 3.25Å; T538-V634 HydrophobicContact CG2-CG1 4.01Å; V634-Y636 VanDerWaalsContact C-N 3.26Å; V634-Y636 PolarHBondContact O-N 3.27Å
635	L	89	Confident	87.9	Confident	19 Å²	19	63.5 Å²	63.5	10%	0.099	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	2.4	177.5	-59.7	178.3	0	0	0	113.1	A532 I629 S633 G637 P641 V660	A532-L635 VanDerWaalsContact O-CD2 3.27Å; A532-L635 WeakPolarHBondContact O-CD2 3.4Å; I629-L635 HydrophobicContact CD1-CB 4.1Å; S633-L635 PolarHBondContact O-N 3.23Å; S633-L635 PolarHBondContact OG-N 3.32Å; L635-G637 VanDerWaalsContact C-N 3.28Å; L635-G637 PolarHBondContact O-N 3.28Å; L635-P641 HydrophobicContact CD1-CG 4.29Å; L635-V660 HydrophobicContact CD1-CB 4.12Å; L635-V660 HydrophobicContact CD1-CG1 3.88Å; L635-V660 WeakPolarHBondContact CD1-O 3.29Å
636	Y	85.1	Confident	88.1	Confident	141 Å²	141	61.7 Å²	61.7	55%	0.553	32%	0.316	S	S	*	.			trans	-77.2	78.5	170.4	-170.3	-100.1	0	0	0	109.6	P631 S633 V634	P631-Y636 HydrophobicContact CB-CD1 4.29Å; P631-Y636 HydrophobicContact CB-CD2 4.35Å; P631-Y636 HydrophobicContact CB-CE1 4.12Å; P631-Y636 HydrophobicContact CB-CE2 4.17Å; P631-Y636 HydrophobicContact CB-CG 4.41Å; P631-Y636 HydrophobicContact CG-CD2 4.45Å; P631-Y636 HydrophobicContact CG-CE2 3.98Å; S633-Y636 VanDerWaalsContact O-CB 3.25Å; S633-Y636 WeakPolarHBondContact O-CB 3.34Å; S633-Y636 PolarHBondContact O-N 3.24Å; S633-Y636 VanDerWaalsContact O-N 3.11Å; V634-Y636 VanDerWaalsContact C-N 3.26Å; V634-Y636 PolarHBondContact O-N 3.27Å
637	G	74.1	Confident	88	Confident	51 Å²	51	58.3 Å²	58.3	53%	0.526	30%	0.301	S	S	.	.	S	Bend	trans	-157.5	179.9	-174.4	0	0	0	0	0	114.3	L635 K639	L635-G637 VanDerWaalsContact C-N 3.28Å; L635-G637 PolarHBondContact O-N 3.28Å; G637-K639 VanDerWaalsContact C-N 3.32Å; G637-K639 PolarHBondContact O-N 3.11Å
638	E	60.5	Low	87.7	Confident	199 Å²	199	62.4 Å²	62.4	93%	0.93	32%	0.32	S	S	*	.	S	Bend	trans	-66.5	-24.1	-166.1	-66.8	-177.8	170.7	0	0	115.3	P640	E638-P640 WeakPolarHBondContact O-CD 3.4Å
639	K	79.8	Confident	87.4	Confident	201 Å²	201	60.9 Å²	60.9	87%	0.874	31%	0.313	S	S	*	.	S	Bend	trans	-114	82.9	176.9	-70.7	-174.4	-177.9	177.5	0	110.7	G637	G637-K639 VanDerWaalsContact C-N 3.32Å; G637-K639 PolarHBondContact O-N 3.11Å
640	P	82.4	Confident	86.9	Confident	55 Å²	55	61.4 Å²	61.4	36%	0.357	32%	0.317	S	S	.	.			trans	-67.8	134.8	179.9	28.1	-35.6	0	0	0	111	I612 Y618 E638	I612-P640 HydrophobicContact CD1-CB 3.75Å; I612-P640 HydrophobicContact CD1-CG 3.32Å; Y618-P640 HydrophobicContact CE2-CB 4.36Å; Y618-P640 WeakPolarHBondContact OH-CB 3.31Å; E638-P640 WeakPolarHBondContact O-CD 3.4Å
641	P	90.3	Very high	86.4	Confident	25 Å²	25	62 Å²	62	16%	0.162	32%	0.32	C	S	.	.			trans	-62.2	149.2	176.8	24.7	-34.6	0	0	0	112	Y618 L635 W643 V644 A662	Y618-P641 WeakPolarHBondContact CE1-O 3.47Å; Y618-P641 VanDerWaalsContact OH-CD 3.29Å; Y618-P641 WeakPolarHBondContact OH-CD 3.37Å; Y618-P641 PolarHBondContact OH-O 2.89Å; L635-P641 HydrophobicContact CD1-CG 4.29Å; P641-W643 PolarHBondContact O-N 2.8Å; P641-V644 HydrophobicContact CB-CG1 4.13Å; P641-V644 HydrophobicContact CG-CG1 3.43Å; P641-V644 VanDerWaalsContact CG-CG1 3.43Å; P641-A662 HydrophobicContact CB-CB 3.67Å; P641-A662 HydrophobicContact CG-CB 4.06Å
642	K	91.6	Very high	85.7	Confident	161 Å²	161	62.2 Å²	62.2	70%	0.7	32%	0.32	S	S	*	.	S	Bend	trans	-67.3	-38.6	-178.5	-70.9	-177	-179.8	177	0	112.7	R611 I612	R611-K642 CarbonylContact C-O 3.56Å; R611-K642 VanDerWaalsContact CA-O 3.28Å; R611-K642 WeakPolarHBondContact CA-O 3.33Å; I612-K642 HydrophobicContact CG2-CB 4.46Å; I612-K642 PolarHBondContact N-O 2.97Å
643	W	94.5	Very high	85.3	Confident	42 Å²	42	63.3 Å²	63.3	16%	0.159	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.6	-178.2	-53.1	85.5	0	0	0	109.5	A610 R611 L621 P641 V663 L668 L692	A610-W643 WeakPolarHBondContact O-CA 3.47Å; R611-W643 HydrophobicContact CB-CD2 4.02Å; R611-W643 HydrophobicContact CB-CE3 3.66Å; R611-W643 HydrophobicContact CB-CH2 4.21Å; R611-W643 HydrophobicContact CB-CZ3 3.79Å; R611-W643 HydrophobicContact CG-CZ3 4.42Å; L621-W643 HydrophobicContact CD1-CE3 3.81Å; L621-W643 HydrophobicContact CD1-CZ3 3.71Å; L621-W643 HydrophobicContact CD2-CE3 3.82Å; L621-W643 HydrophobicContact CD2-CH2 4.34Å; L621-W643 HydrophobicContact CD2-CZ3 3.32Å; L621-W643 HydrophobicContact CG-CE3 4.42Å; L621-W643 HydrophobicContact CG-CZ3 4.14Å; P641-W643 PolarHBondContact O-N 2.8Å; W643-V663 HydrophobicContact CB-CG2 3.93Å; W643-V663 WeakPolarHBondContact CB-O 3.31Å; W643-V663 PolarHBondContact O-N 2.88Å; W643-L668 HydrophobicContact CE3-CD1 4.5Å; W643-L692 HydrophobicContact CH2-CD2 4.48Å; W643-L692 HydrophobicContact CZ3-CD2 4Å
644	V	95.6	Very high	85.1	Confident	1 Å²	1	68 Å²	68	1%	0.006	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.3	-179.8	-62.9	0	0	0	0	111.4	A609 A610 Y618 P641 M657 V660 T661	A609-V644 CarbonylContact C-O 3.54Å; A609-V644 VanDerWaalsContact CA-O 3.31Å; A609-V644 WeakPolarHBondContact CA-O 3.47Å; A610-V644 HydrophobicContact CB-CG2 4Å; A610-V644 PolarHBondContact N-O 3.49Å; A610-V644 PolarHBondContact O-N 3.4Å; Y618-V644 HydrophobicContact CD1-CG2 3.81Å; Y618-V644 HydrophobicContact CE1-CB 4.49Å; Y618-V644 HydrophobicContact CE1-CG1 3.91Å; Y618-V644 HydrophobicContact CE1-CG2 3.75Å; P641-V644 HydrophobicContact CB-CG1 4.13Å; P641-V644 HydrophobicContact CG-CG1 3.43Å; P641-V644 VanDerWaalsContact CG-CG1 3.43Å; V644-M657 HydrophobicContact CG2-CE 3.97Å; V644-M657 HydrophobicContact CG2-SD 4.09Å; V644-V660 HydrophobicContact CB-CG1 3.54Å; V644-V660 HydrophobicContact CG1-CG1 3.67Å; V644-V660 HydrophobicContact CG2-CG1 3.94Å; V644-T661 CarbonylContact C-O 3.49Å; V644-T661 WeakPolarHBondContact CA-O 3.31Å; V644-T661 WeakPolarHBondContact CB-O 3.36Å
645	V	95.6	Very high	85.1	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	152.8	160.2	-64.9	0	0	0	0	110	I601 V602 F605 N608 A609 V660 T661 V663	I601-V645 HydrophobicContact CG2-CG2 4.02Å; V602-V645 HydrophobicContact CG2-CG1 4.22Å; F605-V645 HydrophobicContact CB-CB 4.43Å; N608-V645 VanDerWaalsContact O-CA 3.27Å; N608-V645 WeakPolarHBondContact O-CA 3.43Å; A609-V645 HydrophobicContact CB-CG1 4.27Å; V645-V660 WeakPolarHBondContact O-CA 3.28Å; V645-T661 HydrophobicContact CG2-CG2 4.37Å; V645-T661 PolarHBondContact N-O 3Å; V645-T661 PolarHBondContact O-N 3.5Å; V645-V663 HydrophobicContact CB-CG1 4.44Å; V645-V663 HydrophobicContact CG1-CG1 4.05Å; V645-V663 HydrophobicContact CG1-CG2 4.19Å; V645-V663 HydrophobicContact CG2-CG1 3.75Å
646	F	93.9	Very high	85.1	Confident	6 Å²	6	69.9 Å²	69.9	3%	0.026	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.4	-176.8	60.6	-91.9	0	0	0	112.5	N608 A610 L627 V649 M657 V660	N608-F646 VanDerWaalsContact C-CE1 3.5Å; N608-F646 HydrophobicContact CB-CD1 4.44Å; N608-F646 HydrophobicContact CB-CD2 4.07Å; N608-F646 HydrophobicContact CB-CE1 4.23Å; N608-F646 HydrophobicContact CB-CE2 3.82Å; N608-F646 HydrophobicContact CB-CG 4.37Å; N608-F646 HydrophobicContact CB-CZ 3.92Å; N608-F646 WeakPolarHBondContact CB-O 3.22Å; N608-F646 PolarHBondContact ND2-O 2.88Å; N608-F646 VanDerWaalsContact O-CD1 3.3Å; N608-F646 WeakPolarHBondContact O-CD1 3.3Å; N608-F646 WeakPolarHBondContact O-CE1 3.4Å; N608-F646 PolarHBondContact O-N 3.06Å; N608-F646 VanDerWaalsContact O-N 3.08Å; A610-F646 HydrophobicContact CB-CE1 4.18Å; L627-F646 HydrophobicContact CD1-CE1 4.14Å; L627-F646 HydrophobicContact CD1-CZ 4.1Å; F646-V649 HydrophobicContact CD2-CG2 3.94Å; F646-V649 HydrophobicContact CE2-CG2 3.46Å; F646-V649 VanDerWaalsContact CE2-CG2 3.46Å; F646-V649 HydrophobicContact CZ-CG2 4.19Å; F646-M657 HydrophobicContact CB-CB 3.98Å; F646-M657 HydrophobicContact CB-CG 4.31Å; F646-M657 HydrophobicContact CB-SD 4.46Å; F646-M657 HydrophobicContact CD1-CG 3.93Å; F646-M657 HydrophobicContact CD1-SD 3.45Å; F646-M657 WeakPolarHBondContact CD1-SD 3.48Å; F646-M657 HydrophobicContact CD2-CG 4.36Å; F646-M657 HydrophobicContact CE1-CG 4.35Å; F646-M657 HydrophobicContact CE1-SD 3.86Å; F646-M657 HydrophobicContact CG-CB 4.13Å; F646-M657 HydrophobicContact CG-CG 3.94Å; F646-M657 HydrophobicContact CG-SD 4.04Å; F646-V660 HydrophobicContact CB-CG2 4.33Å
647	N	90.6	Very high	85.5	Confident	21 Å²	21	63.2 Å²	63.2	11%	0.112	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-47.5	-178.8	-69.1	-3.7	0	0	0	112.9	H536 F605 N608 R658 D659	H536-N647 PolarHBondContact CE1-OD1 3.42Å; H536-N647 VanDerWaalsContact CE1-OD1 3.24Å; H536-N647 PolarHBondContact NE2-ND2 3.37Å; H536-N647 PolarHBondContact NE2-OD1 3.35Å; F605-N647 HydrophobicContact CE1-CB 4.28Å; F605-N647 VanDerWaalsContact CE1-OD1 3.23Å; F605-N647 WeakPolarHBondContact CE1-OD1 3.31Å; N608-N647 PolarHBondContact ND2-O 3.08Å; N647-R658 PolarHBondContact N-O 3.29Å; N647-D659 HydrophobicContact CB-CB 3.96Å; N647-D659 WeakPolarHBondContact ND2-CB 3.47Å
648	E	85.6	Confident	86.3	Confident	85 Å²	85	64.2 Å²	64.2	40%	0.397	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	160.2	-174.8	67.9	178.7	-167.9	0	0	111.8	R658	E648-R658 HydrophobicContact CG-CB 3.78Å; E648-R658 HydrophobicContact CG-CG 4.48Å; E648-R658 PolarHBondContact O-N 3.47Å; E648-R658 WeakPolarHBondContact OE1-CD 3.39Å; E648-R658 IonicContact OE1-CZ 2.72Å; E648-R658 IonicContact OE1-NE 3.45Å; E648-R658 IonicContact OE1-NH1 3.14Å; E648-R658 PolarHBondContact OE1-NH1 3.21Å
649	V	87.5	Confident	87.8	Confident	6 Å²	6	56.2 Å²	56.2	4%	0.036	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.8	172.8	-178.4	0	0	0	0	108.7	I365 S367 L627 F646 Y655 Y656	I365-V649 HydrophobicContact CD1-CG2 4.37Å; I365-V649 HydrophobicContact CG1-CG2 4.24Å; I365-V649 HydrophobicContact CG2-CB 3.64Å; I365-V649 HydrophobicContact CG2-CG1 4Å; I365-V649 HydrophobicContact CG2-CG2 3.98Å; S367-V649 WeakPolarHBondContact CA-O 3.13Å; L627-V649 HydrophobicContact CD2-CG1 3.99Å; L627-V649 HydrophobicContact CD2-CG2 4.47Å; F646-V649 HydrophobicContact CD2-CG2 3.94Å; F646-V649 HydrophobicContact CE2-CG2 3.46Å; F646-V649 VanDerWaalsContact CE2-CG2 3.46Å; F646-V649 HydrophobicContact CZ-CG2 4.19Å; V649-Y655 HydrophobicContact CG1-CD1 3.96Å; V649-Y655 HydrophobicContact CG1-CG 4.45Å; V649-Y656 CarbonylContact C-O 3.44Å; V649-Y656 WeakPolarHBondContact CA-O 3.47Å
650	V	82.9	Confident	88.5	Confident	25 Å²	25	46.7 Å²	46.7	15%	0.152	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.4	174.4	-178.1	0	0	0	0	108.9	T652 Y656 R658	V650-T652 HydrophobicContact CG1-CG2 4.19Å; V650-Y656 PolarHBondContact N-O 3.26Å; V650-Y656 PolarHBondContact O-N 3.04Å; V650-R658 HydrophobicContact CG2-CG 4.23Å
651	Q	79.3	Confident	89.2	Confident	58 Å²	58	44 Å²	44	27%	0.271	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.4	174.4	-173.2	178.2	-4.8	0	0	109.2	Y655	Q651-Y655 HydrophobicContact CB-CD1 4.01Å; Q651-Y655 HydrophobicContact CB-CE1 3.93Å; Q651-Y655 HydrophobicContact CG-CD1 4.13Å; Q651-Y655 HydrophobicContact CG-CE1 3.82Å; Q651-Y655 PolarHBondContact NE2-OH 3.2Å; Q651-Y655 PolarHBondContact OE1-OH 3.08Å
652	T	75.5	Confident	89.4	Confident	72 Å²	72	44 Å²	44	44%	0.442	22%	0.216	S	C	.	.	S	Bend	trans	-119.7	-108.1	168.3	58.3	0	0	0	0	108.5	V650 K654 Y656	V650-T652 HydrophobicContact CG1-CG2 4.19Å; T652-K654 PolarHBondContact N-O 3.49Å; T652-Y656 WeakPolarHBondContact OG1-CD2 3.46Å; T652-Y656 VanDerWaalsContact OG1-CE2 3.23Å; T652-Y656 WeakPolarHBondContact OG1-CE2 3.43Å
653	S	77.6	Confident	89.5	Confident	102 Å²	102	37 Å²	37	71%	0.713	19%	0.187	S	C	*	.	S	Bend	trans	-76.2	-31.1	166.4	55.4	0	0	0	0	112
654	K	86.6	Confident	89.5	Confident	105 Å²	105	39.7 Å²	39.7	46%	0.457	20%	0.202	S	C	.	.	S	Bend	trans	-133.8	172.4	176.4	-53.5	-170.1	179.7	-175.1	0	109.3	H628 T652 Y656	H628-K654 WeakPolarHBondContact NE2-CD 3.27Å; T652-K654 PolarHBondContact N-O 3.49Å; K654-Y656 HydrophobicContact CB-CD2 4.4Å; K654-Y656 HydrophobicContact CB-CE2 3.81Å; K654-Y656 VanDerWaalsContact O-CD2 3.28Å; K654-Y656 WeakPolarHBondContact O-CD2 2.9Å
655	Y	88.1	Confident	89.2	Confident	73 Å²	73	42 Å²	42	29%	0.286	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.8	170.6	-67.1	-85.1	0	0	0	109.8	L627 H628 V649 Q651	L627-Y655 CarbonylContact C-O 3.43Å; L627-Y655 VanDerWaalsContact CD2-CB 3.42Å; L627-Y655 HydrophobicContact CD2-CG 4.28Å; H628-Y655 PolarHBondContact N-O 3.17Å; V649-Y655 HydrophobicContact CG1-CD1 3.96Å; V649-Y655 HydrophobicContact CG1-CG 4.45Å; Q651-Y655 HydrophobicContact CB-CD1 4.01Å; Q651-Y655 HydrophobicContact CB-CE1 3.93Å; Q651-Y655 HydrophobicContact CG-CD1 4.13Å; Q651-Y655 HydrophobicContact CG-CE1 3.82Å; Q651-Y655 PolarHBondContact NE2-OH 3.2Å; Q651-Y655 PolarHBondContact OE1-OH 3.08Å
656	Y	90.9	Very high	89.1	Confident	39 Å²	39	44.7 Å²	44.7	15%	0.153	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.6	-177.7	-70.1	-80.8	0	0	0	111.3	H628 V649 V650 T652 K654	H628-Y656 HydrophobicContact CB-CD1 3.71Å; H628-Y656 HydrophobicContact CB-CE1 3.78Å; H628-Y656 CarbonylContact O-C 3.47Å; H628-Y656 WeakPolarHBondContact O-CA 3.45Å; V649-Y656 CarbonylContact C-O 3.44Å; V649-Y656 WeakPolarHBondContact CA-O 3.47Å; V650-Y656 PolarHBondContact N-O 3.26Å; V650-Y656 PolarHBondContact O-N 3.04Å; T652-Y656 WeakPolarHBondContact OG1-CD2 3.46Å; T652-Y656 VanDerWaalsContact OG1-CE2 3.23Å; T652-Y656 WeakPolarHBondContact OG1-CE2 3.43Å; K654-Y656 HydrophobicContact CB-CD2 4.4Å; K654-Y656 HydrophobicContact CB-CE2 3.81Å; K654-Y656 VanDerWaalsContact O-CD2 3.28Å; K654-Y656 WeakPolarHBondContact O-CD2 2.9Å
657	M	93	Very high	89.2	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	134.6	170.4	-62.2	178.3	-64.2	0	0	110	A610 Y618 L627 H628 I629 H630 V644 F646 V660	A610-M657 HydrophobicContact CB-CE 4.45Å; A610-M657 HydrophobicContact CB-SD 3.73Å; Y618-M657 HydrophobicContact CD1-CE 3.95Å; Y618-M657 HydrophobicContact CD2-CE 3.95Å; Y618-M657 HydrophobicContact CG-CE 3.57Å; L627-M657 HydrophobicContact CB-CE 4.3Å; L627-M657 HydrophobicContact CB-CG 3.97Å; L627-M657 HydrophobicContact CB-SD 4.07Å; L627-M657 HydrophobicContact CD1-CG 3.69Å; L627-M657 HydrophobicContact CD1-SD 3.73Å; L627-M657 HydrophobicContact CG-CG 4.38Å; H628-M657 PolarHBondContact O-N 2.83Å; I629-M657 HydrophobicContact CG1-CE 3.84Å; H630-M657 WeakPolarHBondContact CB-O 3.4Å; H630-M657 PolarHBondContact N-O 3.33Å; V644-M657 HydrophobicContact CG2-CE 3.97Å; V644-M657 HydrophobicContact CG2-SD 4.09Å; F646-M657 HydrophobicContact CB-CB 3.98Å; F646-M657 HydrophobicContact CB-CG 4.31Å; F646-M657 HydrophobicContact CB-SD 4.46Å; F646-M657 HydrophobicContact CD1-CG 3.93Å; F646-M657 HydrophobicContact CD1-SD 3.45Å; F646-M657 WeakPolarHBondContact CD1-SD 3.48Å; F646-M657 HydrophobicContact CD2-CG 4.36Å; F646-M657 HydrophobicContact CE1-CG 4.35Å; F646-M657 HydrophobicContact CE1-SD 3.86Å; F646-M657 HydrophobicContact CG-CB 4.13Å; F646-M657 HydrophobicContact CG-CG 3.94Å; F646-M657 HydrophobicContact CG-SD 4.04Å; M657-V660 HydrophobicContact CB-CG2 3.76Å
658	R	90.6	Very high	89.3	Confident	72 Å²	72	44.1 Å²	44.1	27%	0.272	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	155.3	174.1	-63.1	-173.2	68.2	-146.7	-7.6	111.3	H630 N647 E648 V650	H630-R658 HydrophobicContact CB-CG 3.8Å; N647-R658 PolarHBondContact N-O 3.29Å; E648-R658 HydrophobicContact CG-CB 3.78Å; E648-R658 HydrophobicContact CG-CG 4.48Å; E648-R658 PolarHBondContact O-N 3.47Å; E648-R658 WeakPolarHBondContact OE1-CD 3.39Å; E648-R658 IonicContact OE1-CZ 2.72Å; E648-R658 IonicContact OE1-NE 3.45Å; E648-R658 IonicContact OE1-NH1 3.14Å; E648-R658 PolarHBondContact OE1-NH1 3.21Å; V650-R658 HydrophobicContact CG2-CG 4.23Å
659	D	92	Very high	89.6	Confident	32 Å²	32	41.9 Å²	41.9	17%	0.171	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.6	66.5	-175.1	-46.5	-43.3	0	0	0	110.4	M506 D535 H536 N647	M506-D659 HydrophobicContact SD-CB 4.13Å; D535-D659 WeakPolarHBondContact OD2-CA 3.44Å; H536-D659 PolarHBondContact CE1-O 3.37Å; N647-D659 HydrophobicContact CB-CB 3.96Å; N647-D659 WeakPolarHBondContact ND2-CB 3.47Å
660	V	95.1	Very high	89.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	138.5	-169.3	-171.9	0	0	0	0	109.9	G534 D535 I629 L635 V644 V645 F646 M657	G534-V660 WeakPolarHBondContact CA-O 3.48Å; D535-V660 PolarHBondContact N-O 3.4Å; D535-V660 PolarHBondContact OD2-N 3.41Å; I629-V660 HydrophobicContact CD1-CG1 4.45Å; I629-V660 HydrophobicContact CG1-CG1 4.47Å; I629-V660 HydrophobicContact CG2-CG2 4.48Å; L635-V660 HydrophobicContact CD1-CB 4.12Å; L635-V660 HydrophobicContact CD1-CG1 3.88Å; L635-V660 WeakPolarHBondContact CD1-O 3.29Å; V644-V660 HydrophobicContact CB-CG1 3.54Å; V644-V660 HydrophobicContact CG1-CG1 3.67Å; V644-V660 HydrophobicContact CG2-CG1 3.94Å; V645-V660 WeakPolarHBondContact O-CA 3.28Å; F646-V660 HydrophobicContact CB-CG2 4.33Å; M657-V660 HydrophobicContact CB-CG2 3.76Å
661	T	95.3	Very high	90.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.6	176.7	-78.2	0	0	0	0	110.5	H536 L598 V644 V645 V663	H536-T661 WeakPolarHBondContact CB-OG1 3.48Å; H536-T661 PolarHBondContact ND1-OG1 3.35Å; L598-T661 HydrophobicContact CD2-CG2 3.15Å; V644-T661 CarbonylContact C-O 3.49Å; V644-T661 WeakPolarHBondContact CA-O 3.31Å; V644-T661 WeakPolarHBondContact CB-O 3.36Å; V645-T661 HydrophobicContact CG2-CG2 4.37Å; V645-T661 PolarHBondContact N-O 3Å; V645-T661 PolarHBondContact O-N 3.5Å; T661-V663 HydrophobicContact CG2-CG1 4.37Å
662	A	94.9	Very high	90.9	Very high	23 Å²	23	44.9 Å²	44.9	19%	0.19	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138	175.7	0	0	0	0	0	110.2	E533 P641	E533-A662 PolarHBondContact O-N 2.74Å; P641-A662 HydrophobicContact CB-CB 3.67Å; P641-A662 HydrophobicContact CG-CB 4.06Å
663	V	94.6	Very high	91.6	Very high	14 Å²	14	45 Å²	45	9%	0.085	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	164.2	-178.9	-59.5	0	0	0	0	111.2	V602 W643 V645 T661 W667	V602-V663 HydrophobicContact CG2-CB 4.08Å; V602-V663 HydrophobicContact CG2-CG1 3.51Å; W643-V663 HydrophobicContact CB-CG2 3.93Å; W643-V663 WeakPolarHBondContact CB-O 3.31Å; W643-V663 PolarHBondContact O-N 2.88Å; V645-V663 HydrophobicContact CB-CG1 4.44Å; V645-V663 HydrophobicContact CG1-CG1 4.05Å; V645-V663 HydrophobicContact CG1-CG2 4.19Å; V645-V663 HydrophobicContact CG2-CG1 3.75Å; T661-V663 HydrophobicContact CG2-CG1 4.37Å; V663-W667 HydrophobicContact CB-CE3 3.98Å; V663-W667 HydrophobicContact CB-CZ3 4.18Å; V663-W667 HydrophobicContact CG1-CE3 4.43Å; V663-W667 HydrophobicContact CG1-CZ3 4.47Å
664	E	93.2	Very high	92.1	Very high	99 Å²	99	45.6 Å²	45.6	46%	0.463	23%	0.231	S	C	.	.			trans	-93.2	146.1	168	-58.7	-173.1	164.5	0	0	112.2	S666 W667	E664-S666 WeakPolarHBondContact CB-OG 3.22Å; E664-S666 PolarHBondContact O-N 3.24Å; E664-S666 PolarHBondContact OE2-OG 3.03Å; E664-S666 VanDerWaalsContact OE2-OG 3.08Å; E664-W667 HydrophobicContact CB-CD2 3.77Å; E664-W667 HydrophobicContact CB-CE3 4.27Å; E664-W667 HydrophobicContact CB-CG 4.03Å; E664-W667 HydrophobicContact CB-CZ2 4.13Å; E664-W667 HydrophobicContact CG-CD2 4.16Å; E664-W667 HydrophobicContact CG-CH2 4.01Å; E664-W667 HydrophobicContact CG-CZ2 3.57Å; E664-W667 HydrophobicContact CG-CZ3 4.45Å; E664-W667 PolarHBondContact O-N 3.34Å; E664-W667 PolarHBondContact OE2-NE1 3.26Å
665	S	91.2	Very high	92.1	Very high	51 Å²	51	41.4 Å²	41.4	36%	0.357	21%	0.213	S	C	.	.	H	α-helix	trans	-62.6	-31.8	175.4	53.1	0	0	0	0	113	W667 L668 V669	S665-W667 VanDerWaalsContact C-N 3.3Å; S665-W667 PolarHBondContact O-N 3.09Å; S665-L668 PolarHBondContact O-N 2.94Å; S665-V669 PolarHBondContact O-N 3.46Å
666	S	93.3	Very high	92.1	Very high	56 Å²	56	38 Å²	38	39%	0.392	20%	0.2	S	C	.	.	H	α-helix	trans	-57.6	-43	177.3	47.2	0	0	0	0	111.2	E664 L668 V669 E670	E664-S666 WeakPolarHBondContact CB-OG 3.22Å; E664-S666 PolarHBondContact O-N 3.24Å; E664-S666 PolarHBondContact OE2-OG 3.03Å; E664-S666 VanDerWaalsContact OE2-OG 3.08Å; S666-L668 VanDerWaalsContact C-N 3.32Å; S666-L668 PolarHBondContact O-N 3.24Å; S666-V669 PolarHBondContact O-N 3.18Å; S666-E670 WeakPolarHBondContact O-CB 3.49Å; S666-E670 PolarHBondContact O-N 3.1Å
667	W	94.7	Very high	91.6	Very high	13 Å²	13	42.2 Å²	42.2	5%	0.049	22%	0.219	C	C	.	.	H	α-helix	trans	-65.7	-33.8	-177.6	-52.9	-13.4	0	0	0	112.2	D595 L598 K599 V602 V663 E664 S665 E670 L671	D595-W667 HydrophobicContact CB-CZ2 4.43Å; L598-W667 HydrophobicContact CB-CE3 4.4Å; L598-W667 HydrophobicContact CB-CH2 4.12Å; L598-W667 HydrophobicContact CB-CZ3 3.6Å; L598-W667 HydrophobicContact CD1-CH2 3.91Å; L598-W667 HydrophobicContact CD1-CZ3 3.98Å; L598-W667 HydrophobicContact CG-CZ3 4.43Å; K599-W667 HydrophobicContact CG-CD2 3.91Å; K599-W667 HydrophobicContact CG-CE3 4.28Å; K599-W667 HydrophobicContact CG-CG 4.01Å; V602-W667 HydrophobicContact CG2-CE3 4.44Å; V663-W667 HydrophobicContact CB-CE3 3.98Å; V663-W667 HydrophobicContact CB-CZ3 4.18Å; V663-W667 HydrophobicContact CG1-CE3 4.43Å; V663-W667 HydrophobicContact CG1-CZ3 4.47Å; E664-W667 HydrophobicContact CB-CD2 3.77Å; E664-W667 HydrophobicContact CB-CE3 4.27Å; E664-W667 HydrophobicContact CB-CG 4.03Å; E664-W667 HydrophobicContact CB-CZ2 4.13Å; E664-W667 HydrophobicContact CG-CD2 4.16Å; E664-W667 HydrophobicContact CG-CH2 4.01Å; E664-W667 HydrophobicContact CG-CZ2 3.57Å; E664-W667 HydrophobicContact CG-CZ3 4.45Å; E664-W667 PolarHBondContact O-N 3.34Å; E664-W667 PolarHBondContact OE2-NE1 3.26Å; S665-W667 VanDerWaalsContact C-N 3.3Å; S665-W667 PolarHBondContact O-N 3.09Å; W667-E670 PolarHBondContact O-N 3.11Å; W667-L671 HydrophobicContact CB-CD1 4.43Å; W667-L671 WeakPolarHBondContact O-CB 3.42Å; W667-L671 VanDerWaalsContact O-CG 3.23Å; W667-L671 WeakPolarHBondContact O-CG 3.49Å; W667-L671 PolarHBondContact O-N 3.03Å
668	L	92.7	Very high	90.6	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-39.3	175.8	-68.6	168.6	0	0	0	111.9	V602 F606 A609 L621 W643 S665 S666 A672 Y676 L692	V602-L668 HydrophobicContact CG1-CD2 3.75Å; V602-L668 HydrophobicContact CG1-CG 4.45Å; F606-L668 HydrophobicContact CB-CD2 4.1Å; A609-L668 HydrophobicContact CB-CD1 4.1Å; A609-L668 HydrophobicContact CB-CD2 4.09Å; L621-L668 HydrophobicContact CD1-CD1 3.65Å; W643-L668 HydrophobicContact CE3-CD1 4.5Å; S665-L668 PolarHBondContact O-N 2.94Å; S666-L668 VanDerWaalsContact C-N 3.32Å; S666-L668 PolarHBondContact O-N 3.24Å; L668-A672 PolarHBondContact O-N 3.29Å; L668-A672 VanDerWaalsContact O-N 3.1Å; L668-Y676 HydrophobicContact CB-CD2 3.84Å; L668-Y676 HydrophobicContact CB-CE2 4.18Å; L668-Y676 HydrophobicContact CB-CG 4.42Å; L668-Y676 HydrophobicContact CD2-CD2 4.33Å; L668-Y676 HydrophobicContact CD2-CE2 3.85Å; L668-Y676 HydrophobicContact CG-CE2 4.45Å; L668-L692 HydrophobicContact CB-CD1 3.97Å
669	V	91.9	Very high	89.3	Confident	38 Å²	38	48.1 Å²	48.1	23%	0.23	26%	0.257	C	S	.	.	H	α-helix	trans	-73.1	-41.4	176.5	-176.6	0	0	0	0	111	S665 S666 P673 L692	S665-V669 PolarHBondContact O-N 3.46Å; S666-V669 PolarHBondContact O-N 3.18Å; V669-P673 WeakPolarHBondContact O-CA 3.48Å; V669-P673 WeakPolarHBondContact O-CB 3.32Å; V669-P673 WeakPolarHBondContact O-CD 3.31Å; V669-L692 HydrophobicContact CG2-CD1 3.64Å
670	E	92.3	Very high	87.4	Confident	110 Å²	110	55.2 Å²	55.2	51%	0.514	29%	0.287	S	S	.	.	H	α-helix	trans	-62.7	-47.6	179.1	-175.9	-171.3	159.2	0	0	111.6	K599 S666 W667	K599-E670 IonicContact NZ-OE1 2.91Å; K599-E670 PolarHBondContact NZ-OE1 3Å; K599-E670 IonicContact NZ-OE2 3.29Å; K599-E670 PolarHBondContact NZ-OE2 3.01Å; K599-E670 VanDerWaalsContact NZ-OE2 3.14Å; S666-E670 WeakPolarHBondContact O-CB 3.49Å; S666-E670 PolarHBondContact O-N 3.1Å; W667-E670 PolarHBondContact O-N 3.11Å
671	L	92.9	Very high	84.8	Confident	42 Å²	42	65.1 Å²	65.1	22%	0.22	33%	0.332	C	S	.	.	H	α-helix	trans	-92.3	-21.9	-169.6	-60.8	177.3	0	0	0	113.9	F493 K599 V602 W667 P673	F493-L671 HydrophobicContact CE1-CD2 4.07Å; F493-L671 HydrophobicContact CZ-CD1 4.27Å; F493-L671 HydrophobicContact CZ-CD2 3.65Å; K599-L671 HydrophobicContact CB-CD1 4.02Å; K599-L671 HydrophobicContact CG-CD1 4.42Å; K599-L671 WeakPolarHBondContact O-CD1 3.42Å; V602-L671 HydrophobicContact CB-CD1 3.91Å; V602-L671 HydrophobicContact CG1-CB 4.44Å; V602-L671 HydrophobicContact CG1-CD1 3.81Å; W667-L671 HydrophobicContact CB-CD1 4.43Å; W667-L671 WeakPolarHBondContact O-CB 3.42Å; W667-L671 VanDerWaalsContact O-CG 3.23Å; W667-L671 WeakPolarHBondContact O-CG 3.49Å; W667-L671 PolarHBondContact O-N 3.03Å; L671-P673 VanDerWaalsContact C-CD 3.49Å
672	A	92	Very high	82.5	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.374	C	S	.	.			trans	-135.3	58.5	176.9	0	0	0	0	0	112.4	F606 L668 H674 F675 Y676	F606-A672 HydrophobicContact CB-CB 4.03Å; F606-A672 HydrophobicContact CD1-CB 4.11Å; F606-A672 HydrophobicContact CD2-CB 3.68Å; F606-A672 HydrophobicContact CE2-CB 4.2Å; F606-A672 HydrophobicContact CG-CB 3.66Å; L668-A672 PolarHBondContact O-N 3.29Å; L668-A672 VanDerWaalsContact O-N 3.1Å; A672-H674 PolarHBondContact O-N 3.28Å; A672-F675 HydrophobicContact CB-CB 4.01Å; A672-F675 PolarHBondContact O-N 3.35Å; A672-Y676 HydrophobicContact CB-CD2 4.28Å; A672-Y676 PolarHBondContact O-N 2.91Å
673	P	90.5	Very high	80	Confident	76 Å²	76	71.5 Å²	71.5	49%	0.494	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.7	-176.9	26.9	-35.6	0	0	0	113.7	V669 L671 F675 Y676	V669-P673 WeakPolarHBondContact O-CA 3.48Å; V669-P673 WeakPolarHBondContact O-CB 3.32Å; V669-P673 WeakPolarHBondContact O-CD 3.31Å; L671-P673 VanDerWaalsContact C-CD 3.49Å; P673-F675 VanDerWaalsContact C-N 3.32Å; P673-Y676 CarbonylContact C-O 3.59Å; P673-Y676 VanDerWaalsContact O-O 3.12Å
674	H	87.4	Confident	77.8	Confident	113 Å²	113	79.2 Å²	79.2	52%	0.523	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-24.9	172.1	58.5	-68.4	0	0	0	112.6	A456 A672	A456-H674 PolarHBondContact O-NE2 3.08Å; A672-H674 PolarHBondContact O-N 3.28Å
675	F	87.1	Confident	75.5	Confident	18 Å²	18	79.4 Å²	79.4	8%	0.079	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-37.9	-177.2	-164.2	-84.8	0	0	0	112.4	A456 F606 A607 A672 P673	A456-F675 HydrophobicContact CB-CD2 3.93Å; A456-F675 HydrophobicContact CB-CE2 4.33Å; F606-F675 HydrophobicContact CD2-CB 4.16Å; F606-F675 HydrophobicContact CD2-CD1 4.15Å; F606-F675 HydrophobicContact CD2-CD2 4.23Å; F606-F675 AromaticContact CD2-CG 3.94Å; F606-F675 HydrophobicContact CD2-CG 3.94Å; F606-F675 HydrophobicContact CE2-CB 4.04Å; F606-F675 HydrophobicContact CE2-CD1 4.44Å; F606-F675 AromaticContact CE2-CD2 3.7Å; F606-F675 HydrophobicContact CE2-CD2 3.7Å; F606-F675 HydrophobicContact CE2-CE2 4.15Å; F606-F675 AromaticContact CE2-CG 3.83Å; F606-F675 HydrophobicContact CE2-CG 3.83Å; A607-F675 HydrophobicContact CB-CE2 4.45Å; A607-F675 HydrophobicContact CB-CZ 4.17Å; A672-F675 HydrophobicContact CB-CB 4.01Å; A672-F675 PolarHBondContact O-N 3.35Å; P673-F675 VanDerWaalsContact C-N 3.32Å
676	Y	88	Confident	72.8	Confident	2 Å²	2	81.2 Å²	81.2	1%	0.008	46%	0.46	C	S	.	.			trans	-119.6	137.7	-178.4	-68.9	-61.3	0	0	0	111.6	F606 L621 L668 A672 P673 L692	F606-Y676 HydrophobicContact CB-CE2 4.19Å; F606-Y676 HydrophobicContact CD2-CE2 4.4Å; F606-Y676 VanDerWaalsContact O-CE2 3.32Å; F606-Y676 WeakPolarHBondContact O-CE2 3.26Å; F606-Y676 PolarHBondContact O-OH 3.12Å; L621-Y676 HydrophobicContact CB-CE1 3.92Å; L621-Y676 HydrophobicContact CD1-CE1 4.16Å; L668-Y676 HydrophobicContact CB-CD2 3.84Å; L668-Y676 HydrophobicContact CB-CE2 4.18Å; L668-Y676 HydrophobicContact CB-CG 4.42Å; L668-Y676 HydrophobicContact CD2-CD2 4.33Å; L668-Y676 HydrophobicContact CD2-CE2 3.85Å; L668-Y676 HydrophobicContact CG-CE2 4.45Å; A672-Y676 HydrophobicContact CB-CD2 4.28Å; A672-Y676 PolarHBondContact O-N 2.91Å; P673-Y676 CarbonylContact C-O 3.59Å; P673-Y676 VanDerWaalsContact O-O 3.12Å; Y676-L692 HydrophobicContact CD1-CD1 3.81Å; Y676-L692 HydrophobicContact CD1-CD2 3.57Å; Y676-L692 HydrophobicContact CD1-CG 3.62Å; Y676-L692 HydrophobicContact CD2-CD1 4.49Å; Y676-L692 HydrophobicContact CE1-CD2 3.84Å; Y676-L692 HydrophobicContact CE1-CG 4.39Å; Y676-L692 HydrophobicContact CG-CD1 3.73Å; Y676-L692 HydrophobicContact CG-CD2 4.33Å; Y676-L692 HydrophobicContact CG-CG 4.04Å
677	K	81.1	Confident	70.3	Confident	127 Å²	127	87.8 Å²	87.8	55%	0.552	48%	0.482	S	S	*	.	B	Isolated β-bridge	trans	-127.8	140.5	171.6	-65.8	-176.3	179.6	-177.7	0	109.4	R690 V691 L692	K677-R690 PolarHBondContact N-O 2.68Å; K677-V691 CarbonylContact O-C 3.44Å; K677-V691 WeakPolarHBondContact O-CA 3.38Å; K677-L692 PolarHBondContact O-N 2.75Å
678	Q	72.8	Confident	67.6	Low	153 Å²	153	99.8 Å²	99.8	72%	0.715	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-70.8	136	177.1	-164.9	170.3	18	0	0	110.9	K680	Q678-K680 PolarHBondContact O-N 3.22Å
679	A	63.1	Low	65	Low	43 Å²	43	102.8 Å²	102.8	36%	0.355	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-61.8	130.6	171.2	0	0	0	0	0	111.1	V691 L692	A679-V691 HydrophobicContact CB-CG1 3.14Å; A679-L692 WeakPolarHBondContact CB-O 3.27Å; A679-L692 PolarHBondContact N-O 2.94Å
680	K	52.4	Low	63	Low	181 Å²	181	105.1 Å²	105.1	79%	0.787	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-72	130.4	160.7	-70.4	-172	177.9	-175.1	0	108.1	Q678 G682 S683	Q678-K680 PolarHBondContact O-N 3.22Å; K680-G682 PolarHBondContact O-N 3.1Å; K680-G682 VanDerWaalsContact O-N 3.16Å; K680-S683 PolarHBondContact O-N 3.03Å
681	H	39	Very low	60.6	Low	208 Å²	208	103 Å²	103	96%	0.963	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	121	174.9	-106.5	-77	0	0	0	110.3
682	G	47	Very low	58.4	Low	85 Å²	85	102.9 Å²	102.9	88%	0.876	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.9	-3	176.8	0	0	0	0	0	117	K680	K680-G682 PolarHBondContact O-N 3.1Å; K680-G682 VanDerWaalsContact O-N 3.16Å
683	S	43.8	Very low	56.7	Low	71 Å²	71	108.1 Å²	108.1	50%	0.497	57%	0.574	S	S	.	*			trans	-107.6	76.4	177.8	163.3	0	0	0	0	111.5	K680	K680-S683 PolarHBondContact O-N 3.03Å
684	L	47.5	Very low	54.9	Low	176 Å²	176	109.7 Å²	109.7	92%	0.921	58%	0.578	S	S	*	*			trans	-92.3	128.3	163.4	-90.4	142.9	0	0	0	108.9
685	A	44.1	Very low	53.1	Low	104 Å²	104	109.6 Å²	109.6	86%	0.86	58%	0.581	S	S	*	*	S	Bend	trans	74.7	72.3	171.7	0	0	0	0	0	117.5
686	S	35.9	Very low	51.1	Low	89 Å²	89	114.9 Å²	114.9	62%	0.622	61%	0.611	S	S	*	*			trans	-149	98.3	157.4	167.6	0	0	0	0	112.5
687	K	39.7	Very low	48.8	Very low	194 Å²	194	122 Å²	122	84%	0.843	65%	0.649	S	S	*	*	S	Bend	trans	53.5	109	153.4	-68.9	175.8	178.9	173.7	0	118.4	S689	K687-S689 VanDerWaalsContact C-N 3.34Å; K687-S689 PolarHBondContact O-N 2.85Å; K687-S689 VanDerWaalsContact O-N 3.08Å
688	R	39.4	Very low	46.7	Very low	264 Å²	264	121.7 Å²	121.7	100%	0.996	66%	0.655	S	S	*	*	S	Bend	trans	66.3	0.1	151.7	-73.6	-174.9	175	175.9	-1.7	119.6
689	S	36.7	Very low	44.8	Very low	65 Å²	65	119.4 Å²	119.4	46%	0.455	65%	0.651	S	S	.	*			trans	-99.6	130.1	169.2	48.4	0	0	0	0	112	K687 V691	K687-S689 VanDerWaalsContact C-N 3.34Å; K687-S689 PolarHBondContact O-N 2.85Å; K687-S689 VanDerWaalsContact O-N 3.08Å; S689-V691 WeakPolarHBondContact O-CG2 3.44Å; S689-V691 PolarHBondContact O-N 2.8Å; S689-V691 VanDerWaalsContact O-N 3.1Å
690	R	49.6	Very low	43.4	Very low	86 Å²	86	125.3 Å²	125.3	33%	0.325	67%	0.673	S	S	.	*			trans	-72.4	96.3	172.9	-64.8	177.3	-177	162.7	3.4	108.7	K677	K677-R690 PolarHBondContact N-O 2.68Å
691	V	42.8	Very low	42.7	Very low	67 Å²	67	120.7 Å²	120.7	41%	0.406	66%	0.664	S	S	.	*	B	Isolated β-bridge	trans	-101.6	117.5	-173	168.6	0	0	0	0	108.2	K677 A679 S689	K677-V691 CarbonylContact O-C 3.44Å; K677-V691 WeakPolarHBondContact O-CA 3.38Å; A679-V691 HydrophobicContact CB-CG1 3.14Å; S689-V691 WeakPolarHBondContact O-CG2 3.44Å; S689-V691 PolarHBondContact O-N 2.8Å; S689-V691 VanDerWaalsContact O-N 3.1Å
692	L	46.5	Very low	43	Very low	39 Å²	39	112.7 Å²	112.7	20%	0.204	64%	0.637	C	S	.	*			trans	-77.8	0	175.6	-72.9	-177.3	0	0	0	112.2	L621 W643 L668 V669 Y676 K677 A679	L621-L692 HydrophobicContact CB-CD2 4.18Å; L621-L692 HydrophobicContact CD1-CD2 3.59Å; L621-L692 HydrophobicContact CD2-CD2 4.38Å; L621-L692 HydrophobicContact CG-CD2 4.24Å; W643-L692 HydrophobicContact CH2-CD2 4.48Å; W643-L692 HydrophobicContact CZ3-CD2 4Å; L668-L692 HydrophobicContact CB-CD1 3.97Å; V669-L692 HydrophobicContact CG2-CD1 3.64Å; Y676-L692 HydrophobicContact CD1-CD1 3.81Å; Y676-L692 HydrophobicContact CD1-CD2 3.57Å; Y676-L692 HydrophobicContact CD1-CG 3.62Å; Y676-L692 HydrophobicContact CD2-CD1 4.49Å; Y676-L692 HydrophobicContact CE1-CD2 3.84Å; Y676-L692 HydrophobicContact CE1-CG 4.39Å; Y676-L692 HydrophobicContact CG-CD1 3.73Å; Y676-L692 HydrophobicContact CG-CD2 4.33Å; Y676-L692 HydrophobicContact CG-CG 4.04Å; K677-L692 PolarHBondContact O-N 2.75Å; A679-L692 WeakPolarHBondContact CB-O 3.27Å; A679-L692 PolarHBondContact N-O 2.94Å

Retrieved 692 of 692 residues in 1152.8 ms (Link to these results)

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