A0A087XYV9_POEFO Loading...

tRNA (uracil(54)-C(5))-methyltransferase

AlphaFold DB , UniProt , Accession A0A087XYV9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 603 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37.8	Very low	29.5	Very low	241 Å²	241	131 Å²	131	100%	1.187	80%	0.799	S	S	*	*				0	81.1	0	-61.4	-165.9	-144	0	0	105.6
2	A	29.8	Very low	29.3	Very low	86 Å²	86	127.5 Å²	127.5	71%	0.711	79%	0.794	S	S	*	*				67.4	100.9	89.5	0	0	0	0	0	109.8
3	D	28.5	Very low	29.1	Very low	147 Å²	147	125.2 Å²	125.2	79%	0.786	80%	0.795	S	S	*	*				71.2	144.1	84.4	-89	-9.3	0	0	0	111.4
4	L	30.8	Very low	28.9	Very low	133 Å²	133	124.4 Å²	124.4	70%	0.696	80%	0.795	S	S	*	*			cis	-176.6	157.2	14.6	-116.2	159.6	0	0	0	107.5
5	S	30.7	Very low	28.7	Very low	113 Å²	113	121.8 Å²	121.8	79%	0.79	78%	0.782	S	S	*	*			trans	65.3	153.1	138.1	70.2	0	0	0	0	120.2
6	G	28.1	Very low	28.6	Very low	59 Å²	59	125.6 Å²	125.6	61%	0.608	78%	0.783	S	S	*	*			cis	-176.2	150.8	8.2	0	0	0	0	0	109.9
7	V	29.9	Very low	28.5	Very low	150 Å²	150	128.5 Å²	128.5	91%	0.909	79%	0.785	S	S	*	*				73.3	137.7	98.4	-175.1	0	0	0	0	112.3
8	A	28.1	Very low	28.4	Very low	82 Å²	82	131.8 Å²	131.8	68%	0.678	79%	0.79	S	S	*	*			cis	-160.7	150.6	13.5	0	0	0	0	0	106.6
9	A	27.9	Very low	28.2	Very low	92 Å²	92	135.3 Å²	135.3	76%	0.76	79%	0.794	S	S	*	*				65.9	128.1	75.1	0	0	0	0	0	116.7
10	L	26.2	Very low	29.1	Very low	156 Å²	156	134.9 Å²	134.9	82%	0.817	80%	0.795	S	S	*	*			trans	171.4	111.1	148.8	-90.8	147.5	0	0	0	107.4
11	E	26.6	Very low	28.9	Very low	182 Å²	182	132.2 Å²	132.2	85%	0.85	80%	0.796	S	S	*	*				57.1	140.2	85.7	-72.9	-169	156.2	0	0	113.3
12	A	27.1	Very low	28.3	Very low	89 Å²	89	128.5 Å²	128.5	74%	0.736	78%	0.781	S	S	*	*			cis	-161.2	144.7	16.2	0	0	0	0	0	107.7
13	A	26.4	Very low	28.1	Very low	97 Å²	97	131 Å²	131	80%	0.802	78%	0.782	S	S	*	*				81.5	141.2	91.8	0	0	0	0	0	118.5
14	S	26.6	Very low	27.9	Very low	114 Å²	114	130.7 Å²	130.7	80%	0.797	78%	0.78	S	S	*	*			trans	84.8	142.2	155.6	-128.3	0	0	0	0	118.3
15	S	25.7	Very low	27.7	Very low	86 Å²	86	131.5 Å²	131.5	60%	0.601	79%	0.791	S	S	*	*			cis	167.3	159.2	-15.7	50.2	0	0	0	0	108
16	K	27.7	Very low	27.4	Very low	183 Å²	183	134.3 Å²	134.3	80%	0.796	79%	0.791	S	S	*	*			trans	90.8	116.5	161.1	-60.9	-175.2	174.8	-174	0	117.5
17	E	26.6	Very low	27.2	Very low	174 Å²	174	139.1 Å²	139.1	81%	0.813	80%	0.802	S	S	*	*				60.7	123.5	78.3	-80.4	-178.7	160.1	0	0	111.3
18	E	26	Very low	26.9	Very low	189 Å²	189	136.1 Å²	136.1	88%	0.883	79%	0.788	S	S	*	*				-170.1	170.6	53.4	-117.8	172	164.9	0	0	111.4
19	K	26.1	Very low	26.8	Very low	197 Å²	197	141.3 Å²	141.3	86%	0.857	80%	0.795	S	S	*	*			trans	-83.7	-154.6	-179.3	-68.6	178.5	169.7	177.1	0	113.5
20	P	44.9	Very low	26.6	Very low	128 Å²	128	142.9 Å²	142.9	83%	0.831	80%	0.796	S	S	*	*				-121	-176.6	-82.9	37	-19.1	0	0	0	112.7
21	G	25.5	Very low	26.5	Very low	78 Å²	78	143.2 Å²	143.2	80%	0.804	80%	0.798	S	S	*	*			trans	-164.4	123	169.2	0	0	0	0	0	115
22	D	25.6	Very low	26.3	Very low	163 Å²	163	138.8 Å²	138.8	87%	0.872	79%	0.793	S	S	*	*			trans	-75.2	157.1	171.1	-87.1	-41.1	0	0	0	113.3
23	D	25.4	Very low	26.1	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	80%	0.8	S	S	*	*				163.9	112.5	125.3	-106.4	-6.6	0	0	0	109.8
24	L	25	Very low	25.9	Very low	140 Å²	140	145.5 Å²	145.5	73%	0.733	80%	0.803	S	S	*	*				63.6	116	87.7	-79.7	173.3	0	0	0	115.3
25	T	26.1	Very low	26.3	Very low	151 Å²	151	144.9 Å²	144.9	93%	0.926	80%	0.796	S	S	*	*				-167.3	120.5	125.6	17.8	0	0	0	0	111.5
26	Q	24.4	Very low	26.2	Very low	171 Å²	171	147.8 Å²	147.8	80%	0.799	81%	0.805	S	S	*	*			trans	-90.9	161.9	164.8	-73.1	-179	-9.9	0	0	110.7
27	L	24.3	Very low	26.9	Very low	161 Å²	161	144.3 Å²	144.3	84%	0.843	80%	0.801	S	S	*	*			trans	154.4	114	136.8	-82.5	153.7	0	0	0	106.9
28	S	23.4	Very low	26.9	Very low	86 Å²	86	141.8 Å²	141.8	60%	0.601	80%	0.8	S	S	*	*			cis	114.3	128.3	33.5	70.2	0	0	0	0	111.5
29	K	25.5	Very low	26.8	Very low	192 Å²	192	137.7 Å²	137.7	84%	0.835	80%	0.798	S	S	*	*			trans	73	144.3	145.5	-69.3	176.4	-178.4	-179.9	0	117.3
30	T	23.2	Very low	26.8	Very low	125 Å²	125	137.8 Å²	137.8	77%	0.767	80%	0.802	S	S	*	*			cis	-167.1	156.6	14.6	9.3	0	0	0	0	106.1
31	D	23.4	Very low	25.9	Very low	163 Å²	163	135.3 Å²	135.3	87%	0.872	80%	0.8	S	S	*	*				-172	160.6	90.8	-143.3	-12.6	0	0	0	113.4
32	A	23.1	Very low	25.9	Very low	89 Å²	89	137.5 Å²	137.5	74%	0.736	80%	0.802	S	S	*	*			trans	-97.2	160.4	-161.6	0	0	0	0	0	116
33	S	22.9	Very low	25.8	Very low	126 Å²	126	138.2 Å²	138.2	88%	0.881	80%	0.801	S	S	*	*			trans	-160.2	134.5	141	47.3	0	0	0	0	111.8
34	K	21.8	Very low	25.9	Very low	201 Å²	201	138.9 Å²	138.9	87%	0.874	81%	0.809	S	S	*	*			trans	-104.5	-173.5	173.5	-90.3	-176.4	174.1	-177.9	0	108.8
35	P	36.7	Very low	26	Very low	100 Å²	100	137 Å²	137	65%	0.649	80%	0.803	S	S	*	*			cis	-125.2	177.5	-44.3	33.8	-13.6	0	0	0	110.6
36	D	23.8	Very low	26.3	Very low	147 Å²	147	134.9 Å²	134.9	79%	0.786	80%	0.795	S	S	*	*				170.9	173.1	80.7	-111.4	-14.6	0	0	0	110.3
37	P	40.8	Very low	26.7	Very low	110 Å²	110	131.4 Å²	131.4	71%	0.714	78%	0.782	S	S	*	*			trans	-99.4	177.6	-145.5	40.4	-37.6	0	0	0	116
38	P	26.5	Very low	27.3	Very low	121 Å²	121	128.5 Å²	128.5	79%	0.786	77%	0.771	S	S	*	*				-148.6	145.7	126.3	34.5	-16.4	0	0	0	117.5
39	A	24.3	Very low	28.3	Very low	103 Å²	103	129.6 Å²	129.6	85%	0.851	77%	0.77	S	S	*	*				57.8	134.2	129.6	0	0	0	0	0	123.1
40	E	26.4	Very low	28.6	Very low	200 Å²	200	122.3 Å²	122.3	94%	0.935	74%	0.739	S	S	*	*			trans	-61.1	155.2	174.1	-64	172.6	141.3	0	0	115.4
41	G	26.8	Very low	29.5	Very low	76 Å²	76	120.5 Å²	120.5	78%	0.784	72%	0.719	S	S	*	*			trans	118	97.8	146.5	0	0	0	0	0	116.3
42	S	24.3	Very low	30.4	Very low	123 Å²	123	120 Å²	120	86%	0.86	71%	0.705	S	S	*	*			trans	-163	133.2	140.2	44.3	0	0	0	0	112
43	E	24.2	Very low	31.5	Very low	179 Å²	179	118.8 Å²	118.8	84%	0.836	68%	0.682	S	S	*	*			trans	-59.6	137.8	-176.7	-63.3	164	139.8	0	0	112.9	T45	E43-T45 PolarHBondContact O-N 3.23Å; E43-T45 VanDerWaalsContact O-N 3.15Å
44	V	26.4	Very low	32.5	Very low	152 Å²	152	115.4 Å²	115.4	92%	0.921	65%	0.653	S	S	*	*			trans	-73.1	102.1	169.3	-180	0	0	0	0	108.3
45	T	27.3	Very low	33.4	Very low	100 Å²	100	113.3 Å²	113.3	61%	0.613	64%	0.644	S	S	*	*			trans	-85	135.4	175	45.8	0	0	0	0	111.8	E43 D47	E43-T45 PolarHBondContact O-N 3.23Å; E43-T45 VanDerWaalsContact O-N 3.15Å; T45-D47 PolarHBondContact O-N 3.23Å
46	S	32.4	Very low	33.4	Very low	108 Å²	108	114.9 Å²	114.9	76%	0.755	64%	0.643	S	S	*	*	S	Bend	trans	-71.4	29.1	-173.1	54	0	0	0	0	115.8	T48	S46-T48 PolarHBondContact O-N 2.85Å
47	D	33.1	Very low	34.2	Very low	98 Å²	98	116.6 Å²	116.6	52%	0.524	65%	0.652	S	S	.	*	G	3₁₀ helix	trans	-87.5	2	-167.8	-114.9	-9.2	0	0	0	114.9	T45 N49	T45-D47 PolarHBondContact O-N 3.23Å; D47-N49 PolarHBondContact O-N 2.79Å
48	T	36.6	Very low	34.1	Very low	100 Å²	100	114.6 Å²	114.6	61%	0.613	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-79.9	-15.3	-169	-23.8	0	0	0	0	114.6	S46	S46-T48 PolarHBondContact O-N 2.85Å
49	N	45.6	Very low	34.7	Very low	108 Å²	108	115.2 Å²	115.2	58%	0.578	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-93.4	-14.3	-171.8	-141.8	13.8	0	0	0	114.8	D47 Y51 R52	D47-N49 PolarHBondContact O-N 2.79Å; N49-Y51 PolarHBondContact O-N 2.97Å; N49-R52 PolarHBondContact OD1-NH1 2.82Å; N49-R52 VanDerWaalsContact OD1-NH1 3.14Å
50	M	31.3	Very low	36	Very low	39 Å²	39	111.7 Å²	111.7	19%	0.192	59%	0.593	C	S	.	*	T	Hydrogen-bonded Turn	trans	-82	-12.8	-171	-163.6	165.4	71.9	0	0	114.6	K147	M50-K147 HydrophobicContact SD-CD 4.27Å
51	Y	42.7	Very low	37.2	Very low	87 Å²	87	105.2 Å²	105.2	34%	0.341	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-133.9	23.3	-173.6	-59.1	-73.5	0	0	0	112.7	N49 Y53 I54 P137	N49-Y51 PolarHBondContact O-N 2.97Å; Y51-Y53 VanDerWaalsContact C-N 3.26Å; Y51-Y53 PolarHBondContact O-N 2.79Å; Y51-I54 HydrophobicContact CD1-CD1 4.03Å; Y51-I54 HydrophobicContact CG-CD1 4.45Å; Y51-I54 VanDerWaalsContact O-CB 3.3Å; Y51-I54 WeakPolarHBondContact O-CB 3.42Å; Y51-I54 WeakPolarHBondContact O-CG1 3.49Å; Y51-I54 PolarHBondContact O-N 3.16Å; Y51-P137 HydrophobicContact CD1-CB 4.01Å; Y51-P137 HydrophobicContact CD1-CG 4.18Å; Y51-P137 HydrophobicContact CE1-CB 4.08Å; Y51-P137 HydrophobicContact CE1-CG 4.28Å
52	R	42.3	Very low	38.6	Very low	153 Å²	153	104.6 Å²	104.6	58%	0.577	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-60.9	-32.6	-169.7	-152.8	178.9	-166.8	141.3	-3.1	113.5	N49 I54 K55	N49-R52 PolarHBondContact OD1-NH1 2.82Å; N49-R52 VanDerWaalsContact OD1-NH1 3.14Å; R52-I54 PolarHBondContact O-N 3.06Å; R52-K55 PolarHBondContact O-N 2.99Å
53	Y	45	Very low	40.3	Very low	64 Å²	64	101.2 Å²	101.2	25%	0.251	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-63.3	-5	175.2	67.8	-92.8	0	0	0	114.7	Y51 T60 P137 K138	Y51-Y53 VanDerWaalsContact C-N 3.26Å; Y51-Y53 PolarHBondContact O-N 2.79Å; Y53-T60 HydrophobicContact CD2-CG2 4.28Å; Y53-P137 WeakPolarHBondContact OH-CB 3.28Å; Y53-K138 PolarHBondContact OH-O 2.9Å
54	I	43.4	Very low	42.5	Very low	54 Å²	54	94.3 Å²	94.3	28%	0.277	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-101	-15.1	178.7	-50	-178.4	0	0	0	111.4	Y51 R52 I63 P137	Y51-I54 HydrophobicContact CD1-CD1 4.03Å; Y51-I54 HydrophobicContact CG-CD1 4.45Å; Y51-I54 VanDerWaalsContact O-CB 3.3Å; Y51-I54 WeakPolarHBondContact O-CB 3.42Å; Y51-I54 WeakPolarHBondContact O-CG1 3.49Å; Y51-I54 PolarHBondContact O-N 3.16Å; R52-I54 PolarHBondContact O-N 3.06Å; I54-I63 HydrophobicContact CG2-CG2 3.71Å; I54-P137 HydrophobicContact CD1-CB 3.4Å; I54-P137 VanDerWaalsContact CD1-CB 3.4Å; I54-P137 HydrophobicContact CD1-CG 3.29Å
55	K	42.2	Very low	45	Very low	157 Å²	157	88.1 Å²	88.1	68%	0.683	45%	0.446	S	S	*	.	S	Bend	trans	-107.5	-1.5	-165.5	-81.8	-168	173.4	-174.9	0	116.5	R52	R52-K55 PolarHBondContact O-N 2.99Å
56	E	36.4	Very low	47.6	Very low	134 Å²	134	83.3 Å²	83.3	63%	0.626	42%	0.417	S	S	*	.	S	Bend	trans	-129.6	155.6	172.3	-69.7	178.7	-170.6	0	0	108.4	L58	E56-L58 PolarHBondContact O-N 2.9Å
57	D	40.2	Very low	50.1	Low	182 Å²	182	79 Å²	79	97%	0.973	38%	0.384	S	S	*	.	S	Bend	trans	-51.5	41	-169.7	-71.4	-41.5	0	0	0	117.4
58	L	39.8	Very low	52.6	Low	69 Å²	69	74.5 Å²	74.5	36%	0.361	36%	0.36	S	S	.	.			trans	-98.9	109.5	177.7	-72.1	156.9	0	0	0	107	E56 T60	E56-L58 PolarHBondContact O-N 2.9Å; L58-T60 PolarHBondContact O-N 3.09Å
59	F	38.8	Very low	54.9	Low	134 Å²	134	74 Å²	74	59%	0.588	35%	0.347	S	S	*	.			trans	-60.8	107.7	174.7	-177.3	-90.9	0	0	0	109.9	Y64	F59-Y64 AromaticContact CD2-CE2 3.75Å; F59-Y64 HydrophobicContact CD2-CE2 3.75Å; F59-Y64 HydrophobicContact CE2-CD2 4.07Å; F59-Y64 AromaticContact CE2-CE2 3.29Å; F59-Y64 HydrophobicContact CE2-CE2 3.29Å; F59-Y64 HydrophobicContact CZ-CD2 4.13Å; F59-Y64 AromaticContact CZ-CE2 3.79Å; F59-Y64 HydrophobicContact CZ-CE2 3.79Å
60	T	51.9	Low	56.6	Low	28 Å²	28	72.4 Å²	72.4	17%	0.172	34%	0.339	C	S	.	.			trans	-113.9	124.4	171.7	72.2	0	0	0	0	110.3	Y53 L58 E62 I63	Y53-T60 HydrophobicContact CD2-CG2 4.28Å; L58-T60 PolarHBondContact O-N 3.09Å; T60-E62 PolarHBondContact O-N 3.26Å; T60-I63 WeakPolarHBondContact O-CG1 3.44Å; T60-I63 PolarHBondContact O-N 2.83Å
61	S	51.5	Low	59.1	Low	64 Å²	64	70.7 Å²	70.7	45%	0.448	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-4.5	174.7	64.5	0	0	0	0	114	T106	S61-T106 VanDerWaalsContact O-CG2 3.26Å; S61-T106 WeakPolarHBondContact O-CG2 3.5Å
62	E	54.4	Low	60.8	Low	64 Å²	64	67.3 Å²	67.3	30%	0.299	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-28.6	170.8	-70.5	-75.6	143.7	0	0	112.5	T60 Y64 K65	T60-E62 PolarHBondContact O-N 3.26Å; E62-Y64 VanDerWaalsContact C-N 3.34Å; E62-K65 WeakPolarHBondContact O-CB 3.36Å; E62-K65 PolarHBondContact O-N 2.9Å; E62-K65 IonicContact OE1-NZ 3.78Å; E62-K65 PolarHBondContact OE1-NZ 2.94Å; E62-K65 IonicContact OE2-NZ 3.55Å; E62-K65 PolarHBondContact OE2-NZ 2.86Å
63	I	60.8	Low	62.2	Low	52 Å²	52	68 Å²	68	27%	0.267	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-20.7	176.2	56.6	157.1	0	0	0	113.4	I54 T60 K65 R113	I54-I63 HydrophobicContact CG2-CG2 3.71Å; T60-I63 WeakPolarHBondContact O-CG1 3.44Å; T60-I63 PolarHBondContact O-N 2.83Å; I63-K65 VanDerWaalsContact C-N 3.35Å; I63-R113 VanDerWaalsContact O-CD 3.25Å; I63-R113 WeakPolarHBondContact O-CD 3.24Å; I63-R113 PolarHBondContact O-NH1 3.27Å
64	Y	71	Confident	63.3	Low	34 Å²	34	73.4 Å²	73.4	13%	0.133	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	19.2	175.9	-50.2	-53.8	0	0	0	113.6	F59 E62 T106 F107 N109 E110	F59-Y64 AromaticContact CD2-CE2 3.75Å; F59-Y64 HydrophobicContact CD2-CE2 3.75Å; F59-Y64 HydrophobicContact CE2-CD2 4.07Å; F59-Y64 AromaticContact CE2-CE2 3.29Å; F59-Y64 HydrophobicContact CE2-CE2 3.29Å; F59-Y64 HydrophobicContact CZ-CD2 4.13Å; F59-Y64 AromaticContact CZ-CE2 3.79Å; F59-Y64 HydrophobicContact CZ-CE2 3.79Å; E62-Y64 VanDerWaalsContact C-N 3.34Å; Y64-T106 WeakPolarHBondContact O-CA 3.29Å; Y64-F107 WeakPolarHBondContact CB-O 3.49Å; Y64-F107 PolarHBondContact O-N 3.42Å; Y64-N109 VanDerWaalsContact CD1-C 3.45Å; Y64-E110 HydrophobicContact CD1-CB 4.32Å; Y64-E110 HydrophobicContact CE1-CB 3.88Å
65	K	79.2	Confident	64.8	Low	21 Å²	21	71.6 Å²	71.6	9%	0.091	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	128.7	-173.3	-171.3	-179.7	168.7	-169.4	0	111.2	E62 I63 F104 V105 A135	E62-K65 WeakPolarHBondContact O-CB 3.36Å; E62-K65 PolarHBondContact O-N 2.9Å; E62-K65 IonicContact OE1-NZ 3.78Å; E62-K65 PolarHBondContact OE1-NZ 2.94Å; E62-K65 IonicContact OE2-NZ 3.55Å; E62-K65 PolarHBondContact OE2-NZ 2.86Å; I63-K65 VanDerWaalsContact C-N 3.35Å; K65-F104 HydrophobicContact CG-CB 4.28Å; K65-F104 HydrophobicContact CG-CD1 4.49Å; K65-V105 CarbonylContact C-O 3.59Å; K65-V105 WeakPolarHBondContact CA-O 3.32Å; K65-A135 HydrophobicContact CB-CB 4.04Å; K65-A135 HydrophobicContact CD-CB 4Å; K65-A135 HydrophobicContact CG-CB 3.69Å; K65-A135 VanDerWaalsContact O-CB 3.3Å; K65-A135 WeakPolarHBondContact O-CB 3.44Å; K65-A135 PolarHBondContact O-N 2.92Å
66	V	81.9	Confident	66.3	Low	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	151.4	172.8	-54.1	0	0	0	0	110.5	I68 F104 V105 F107 R113 M117 V132 R133	V66-I68 HydrophobicContact CG2-CG1 4.16Å; V66-F104 WeakPolarHBondContact O-CA 3.45Å; V66-V105 HydrophobicContact CG2-CB 3.97Å; V66-V105 PolarHBondContact N-O 3.22Å; V66-V105 PolarHBondContact O-N 2.97Å; V66-F107 HydrophobicContact CG1-CE2 4.37Å; V66-F107 HydrophobicContact CG2-CD2 4.48Å; V66-F107 HydrophobicContact CG2-CE2 3.69Å; V66-R113 HydrophobicContact CG1-CG 3.54Å; V66-M117 HydrophobicContact CB-SD 4.41Å; V66-M117 HydrophobicContact CG1-CG 3.92Å; V66-M117 HydrophobicContact CG1-SD 3.97Å; V66-V132 HydrophobicContact CB-CG1 3.69Å; V66-V132 HydrophobicContact CG1-CG1 4.26Å; V66-V132 HydrophobicContact CG2-CG1 3.83Å; V66-R133 CarbonylContact C-O 3.44Å; V66-R133 WeakPolarHBondContact CA-O 3.49Å
67	E	85	Confident	68.4	Low	17 Å²	17	63.9 Å²	63.9	8%	0.079	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.8	168.5	-170	-174.5	173.8	0	0	108.6	R69 F102 A103 F104 V132 R133	E67-R69 VanDerWaalsContact CD-NH2 3.31Å; E67-R69 HydrophobicContact CG-CG 4.08Å; E67-R69 IonicContact OE1-CZ 3.48Å; E67-R69 VanDerWaalsContact OE1-CZ 3.31Å; E67-R69 IonicContact OE1-NE 2.68Å; E67-R69 PolarHBondContact OE1-NE 2.74Å; E67-R69 IonicContact OE1-NH2 3.47Å; E67-R69 PolarHBondContact OE1-NH2 3.37Å; E67-R69 IonicContact OE2-CZ 2.78Å; E67-R69 IonicContact OE2-NE 3.29Å; E67-R69 PolarHBondContact OE2-NE 3.23Å; E67-R69 IonicContact OE2-NH2 2.98Å; E67-R69 PolarHBondContact OE2-NH2 2.88Å; E67-F102 HydrophobicContact CG-CD2 4.34Å; E67-A103 WeakPolarHBondContact CA-O 3.28Å; E67-F104 HydrophobicContact CB-CD1 3.92Å; E67-F104 HydrophobicContact CB-CE1 3.73Å; E67-F104 HydrophobicContact CG-CD1 4.05Å; E67-F104 HydrophobicContact CG-CE1 3.61Å; E67-F104 HydrophobicContact CG-CZ 4.25Å; E67-V132 WeakPolarHBondContact O-CA 3.33Å; E67-R133 PolarHBondContact N-O 2.66Å; E67-R133 PolarHBondContact O-N 3.44Å
68	I	84.9	Confident	70.2	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.015	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	116.5	172.7	-54.3	179.6	0	0	0	107.6	V66 L71 L84 F102 A103 V105 V120 L130 V132	V66-I68 HydrophobicContact CG2-CG1 4.16Å; I68-L71 HydrophobicContact CB-CD2 4.48Å; I68-L71 HydrophobicContact CG2-CD2 3.68Å; I68-L71 HydrophobicContact CG2-CG 4.33Å; I68-L84 HydrophobicContact CD1-CD2 4.14Å; I68-F102 CarbonylContact O-C 3.6Å; I68-F102 WeakPolarHBondContact O-CA 3.36Å; I68-F102 VanDerWaalsContact O-CB 3.31Å; I68-F102 WeakPolarHBondContact O-CB 3.37Å; I68-A103 PolarHBondContact N-O 3.13Å; I68-A103 PolarHBondContact O-N 3.3Å; I68-V105 HydrophobicContact CD1-CB 4.44Å; I68-V105 HydrophobicContact CD1-CG2 3.69Å; I68-V105 HydrophobicContact CG1-CG2 4.23Å; I68-V120 HydrophobicContact CD1-CG1 4.32Å; I68-V120 HydrophobicContact CG2-CG1 4.47Å; I68-L130 HydrophobicContact CG2-CB 4.5Å; I68-L130 HydrophobicContact CG2-CD1 4.46Å; I68-V132 HydrophobicContact CB-CG2 4.48Å; I68-V132 HydrophobicContact CG1-CG1 4.14Å; I68-V132 HydrophobicContact CG1-CG2 4.01Å; I68-V132 HydrophobicContact CG2-CG2 4.27Å
69	R	84.5	Confident	72.2	Confident	90 Å²	90	60.3 Å²	60.3	34%	0.34	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	166.6	178.7	-62	-174.1	175.4	-176.3	4.2	111.6	E67 L71 T101 F102 S131	E67-R69 VanDerWaalsContact CD-NH2 3.31Å; E67-R69 HydrophobicContact CG-CG 4.08Å; E67-R69 IonicContact OE1-CZ 3.48Å; E67-R69 VanDerWaalsContact OE1-CZ 3.31Å; E67-R69 IonicContact OE1-NE 2.68Å; E67-R69 PolarHBondContact OE1-NE 2.74Å; E67-R69 IonicContact OE1-NH2 3.47Å; E67-R69 PolarHBondContact OE1-NH2 3.37Å; E67-R69 IonicContact OE2-CZ 2.78Å; E67-R69 IonicContact OE2-NE 3.29Å; E67-R69 PolarHBondContact OE2-NE 3.23Å; E67-R69 IonicContact OE2-NH2 2.98Å; E67-R69 PolarHBondContact OE2-NH2 2.88Å; R69-L71 VanDerWaalsContact C-N 3.31Å; R69-T101 CarbonylContact C-O 3.56Å; R69-F102 HydrophobicContact CB-CB 4.43Å; R69-F102 HydrophobicContact CG-CB 4.02Å; R69-S131 PolarHBondContact N-O 3.38Å; R69-S131 PolarHBondContact O-N 3.26Å; R69-S131 VanDerWaalsContact O-N 3.12Å
70	N	82.1	Confident	74.2	Confident	75 Å²	75	54 Å²	54	40%	0.401	27%	0.269	S	S	.	.	S	Bend	trans	62.4	32.5	-175.9	-61.5	-14.4	0	0	0	113.9	T101 Q128 V129 L130	N70-T101 PolarHBondContact N-O 3.29Å; N70-Q128 VanDerWaalsContact O-CB 3.27Å; N70-Q128 WeakPolarHBondContact O-CB 3.37Å; N70-V129 VanDerWaalsContact CB-O 3.27Å; N70-V129 WeakPolarHBondContact CB-O 3.47Å; N70-V129 PolarHBondContact ND2-O 3.34Å; N70-V129 VanDerWaalsContact ND2-O 3.14Å; N70-L130 WeakPolarHBondContact O-CD2 3.32Å
71	L	82.8	Confident	75.7	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.016	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-62.1	140	171.5	-62.9	177	0	0	0	110.3	I68 R69 L80 L96 T101 A103 W125 L130	I68-L71 HydrophobicContact CB-CD2 4.48Å; I68-L71 HydrophobicContact CG2-CD2 3.68Å; I68-L71 HydrophobicContact CG2-CG 4.33Å; R69-L71 VanDerWaalsContact C-N 3.31Å; L71-L80 HydrophobicContact CD1-CD2 4.28Å; L71-L80 HydrophobicContact CD2-CD1 4.19Å; L71-L96 HydrophobicContact CD1-CD2 3.88Å; L71-T101 PolarHBondContact N-O 2.76Å; L71-T101 WeakPolarHBondContact O-CB 3.36Å; L71-T101 WeakPolarHBondContact O-CG2 3.46Å; L71-A103 HydrophobicContact CD1-CB 3.55Å; L71-W125 HydrophobicContact CD2-CE3 4.22Å; L71-W125 HydrophobicContact CD2-CZ3 3.92Å; L71-L130 HydrophobicContact CD2-CD2 4.02Å
72	P	79.6	Confident	77.2	Confident	15 Å²	15	62.1 Å²	62.1	10%	0.097	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-53.6	142.4	173.8	-23.7	30.1	0	0	0	111.8	F74 V75 W125 K126	P72-F74 PolarHBondContact O-N 3.42Å; P72-V75 HydrophobicContact CB-CG2 3.78Å; P72-V75 HydrophobicContact CG-CG2 4.06Å; P72-V75 VanDerWaalsContact O-CG2 3.27Å; P72-V75 WeakPolarHBondContact O-CG2 3.38Å; P72-V75 PolarHBondContact O-N 2.85Å; P72-W125 HydrophobicContact CG-CD2 4.22Å; P72-W125 HydrophobicContact CG-CE3 4.14Å; P72-W125 WeakPolarHBondContact CG-O 3.31Å; P72-K126 HydrophobicContact CB-CB 4.19Å; P72-K126 HydrophobicContact CB-CD 4.21Å; P72-K126 HydrophobicContact CG-CB 3.78Å; P72-K126 HydrophobicContact CG-CD 4.17Å; P72-K126 HydrophobicContact CG-CG 4.29Å
73	K	70.2	Confident	78.7	Confident	167 Å²	167	59.8 Å²	59.8	73%	0.726	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	135.2	176.5	-67	-178.9	-179.6	176.3	0	109	T101	K73-T101 HydrophobicContact CG-CG2 4.34Å
74	F	69.1	Low	79.8	Confident	178 Å²	178	57.3 Å²	57.3	78%	0.781	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	22.1	-179.9	-45.8	-78.5	0	0	0	117.2	P72 G76	P72-F74 PolarHBondContact O-N 3.42Å; F74-G76 PolarHBondContact O-N 3.07Å
75	V	74.9	Confident	80.5	Confident	16 Å²	16	58.2 Å²	58.2	10%	0.097	29%	0.285	C	S	.	.			trans	-68.6	121.8	172	166.4	0	0	0	0	111.3	P72 D79 L80 W125	P72-V75 HydrophobicContact CB-CG2 3.78Å; P72-V75 HydrophobicContact CG-CG2 4.06Å; P72-V75 VanDerWaalsContact O-CG2 3.27Å; P72-V75 WeakPolarHBondContact O-CG2 3.38Å; P72-V75 PolarHBondContact O-N 2.85Å; V75-D79 HydrophobicContact CG1-CB 4.22Å; V75-L80 HydrophobicContact CG1-CB 3.98Å; V75-W125 HydrophobicContact CB-CH2 4.42Å; V75-W125 HydrophobicContact CG1-CH2 3.57Å; V75-W125 HydrophobicContact CG1-CZ3 3.93Å; V75-W125 HydrophobicContact CG2-CH2 3.87Å; V75-W125 HydrophobicContact CG2-CZ2 4.48Å; V75-W125 HydrophobicContact CG2-CZ3 4.04Å
76	G	74.2	Confident	80.8	Confident	30 Å²	30	65.7 Å²	65.7	31%	0.309	32%	0.317	S	S	.	.			trans	-84.2	165.8	173.7	0	0	0	0	0	113.1	F74 N78 D79 L80	F74-G76 PolarHBondContact O-N 3.07Å; G76-N78 VanDerWaalsContact C-N 3.3Å; G76-N78 PolarHBondContact O-N 3.44Å; G76-D79 PolarHBondContact N-OD2 3.27Å; G76-D79 PolarHBondContact O-N 2.96Å; G76-D79 VanDerWaalsContact O-N 3.15Å; G76-L80 PolarHBondContact O-N 3.4Å
77	F	78.7	Confident	80.7	Confident	100 Å²	100	68.8 Å²	68.8	44%	0.439	33%	0.332	S	S	.	.	H	α-helix	trans	-53.2	-45.4	176.2	172.5	-91	0	0	0	112.7	D79 L80 K81 I94 L96	F77-D79 VanDerWaalsContact C-N 3.32Å; F77-D79 PolarHBondContact O-N 3.35Å; F77-L80 PolarHBondContact O-N 3.38Å; F77-K81 HydrophobicContact CE1-CD 4.05Å; F77-K81 HydrophobicContact CZ-CD 4.29Å; F77-K81 WeakPolarHBondContact O-CB 3.41Å; F77-K81 PolarHBondContact O-N 3.42Å; F77-I94 HydrophobicContact CD2-CB 4.02Å; F77-I94 HydrophobicContact CD2-CG2 4.3Å; F77-I94 HydrophobicContact CE2-CB 3.8Å; F77-I94 HydrophobicContact CE2-CD1 4.31Å; F77-I94 HydrophobicContact CE2-CG1 4.39Å; F77-L96 VanDerWaalsContact CA-CD1 3.41Å; F77-L96 HydrophobicContact CB-CD1 4.1Å; F77-L96 VanDerWaalsContact N-CD1 3.34Å
78	N	78.4	Confident	80.5	Confident	107 Å²	107	70.1 Å²	70.1	57%	0.572	35%	0.349	S	S	*	.	H	α-helix	trans	-67.7	-31.5	-178.6	-75.7	-22.2	0	0	0	112.8	G76 K82	G76-N78 VanDerWaalsContact C-N 3.3Å; G76-N78 PolarHBondContact O-N 3.44Å; N78-K82 WeakPolarHBondContact O-CB 3.48Å; N78-K82 VanDerWaalsContact O-CG 3.26Å; N78-K82 WeakPolarHBondContact O-CG 3.44Å; N78-K82 PolarHBondContact O-N 3.42Å
79	D	81.9	Confident	80.4	Confident	69 Å²	69	70 Å²	70	37%	0.369	35%	0.349	S	S	.	.	H	α-helix	trans	-71.6	-45	179.1	-59.6	-42.1	0	0	0	110.9	V75 G76 F77 K82 F83	V75-D79 HydrophobicContact CG1-CB 4.22Å; G76-D79 PolarHBondContact N-OD2 3.27Å; G76-D79 PolarHBondContact O-N 2.96Å; G76-D79 VanDerWaalsContact O-N 3.15Å; F77-D79 VanDerWaalsContact C-N 3.32Å; F77-D79 PolarHBondContact O-N 3.35Å; D79-K82 PolarHBondContact O-N 3Å; D79-F83 WeakPolarHBondContact O-CB 3.27Å; D79-F83 PolarHBondContact O-N 2.97Å
80	L	81.9	Confident	80.2	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-66.6	-39.8	176.7	-178	57.2	0	0	0	111.5	L71 V75 G76 F77 F83 L84 I94 L96 A103 W125	L71-L80 HydrophobicContact CD1-CD2 4.28Å; L71-L80 HydrophobicContact CD2-CD1 4.19Å; V75-L80 HydrophobicContact CG1-CB 3.98Å; G76-L80 PolarHBondContact O-N 3.4Å; F77-L80 PolarHBondContact O-N 3.38Å; L80-F83 HydrophobicContact CD1-CD1 4.3Å; L80-F83 PolarHBondContact O-N 2.88Å; L80-L84 HydrophobicContact CD1-CD1 4.19Å; L80-L84 HydrophobicContact CD1-CG 4.19Å; L80-L84 HydrophobicContact CG-CD1 4.15Å; L80-L84 WeakPolarHBondContact O-CG 3.48Å; L80-L84 PolarHBondContact O-N 3.33Å; L80-I94 HydrophobicContact CD2-CG2 3.67Å; L80-I94 HydrophobicContact CG-CD1 4.5Å; L80-I94 HydrophobicContact CG-CG2 4.38Å; L80-L96 HydrophobicContact CD2-CD1 4.46Å; L80-L96 HydrophobicContact CD2-CD2 3.96Å; L80-L96 HydrophobicContact CD2-CG 4.28Å; L80-A103 HydrophobicContact CD2-CB 3.62Å; L80-W125 HydrophobicContact CB-CH2 4.39Å; L80-W125 HydrophobicContact CD1-CH2 4.28Å; L80-W125 HydrophobicContact CD1-CZ3 3.92Å
81	K	82.8	Confident	80.1	Confident	108 Å²	108	68.2 Å²	68.2	47%	0.47	35%	0.348	S	S	.	.	H	α-helix	trans	-61.6	-45.3	175.2	-172.6	177.7	179	-179.2	0	111.9	F77 L84 A85 I94	F77-K81 HydrophobicContact CE1-CD 4.05Å; F77-K81 HydrophobicContact CZ-CD 4.29Å; F77-K81 WeakPolarHBondContact O-CB 3.41Å; F77-K81 PolarHBondContact O-N 3.42Å; K81-L84 PolarHBondContact O-N 2.94Å; K81-A85 WeakPolarHBondContact O-CB 3.41Å; K81-A85 PolarHBondContact O-N 2.84Å; K81-I94 HydrophobicContact CB-CD1 3.89Å; K81-I94 HydrophobicContact CG-CD1 4.39Å
82	K	83.8	Confident	79.7	Confident	155 Å²	155	74 Å²	74	67%	0.674	37%	0.374	S	S	*	.	H	α-helix	trans	-65.4	-40.1	176.8	-76	176.9	-178.9	-178	0	112.3	N78 D79 A85 K86	N78-K82 WeakPolarHBondContact O-CB 3.48Å; N78-K82 VanDerWaalsContact O-CG 3.26Å; N78-K82 WeakPolarHBondContact O-CG 3.44Å; N78-K82 PolarHBondContact O-N 3.42Å; D79-K82 PolarHBondContact O-N 3Å; K82-A85 PolarHBondContact O-N 3.14Å; K82-K86 WeakPolarHBondContact O-CB 3.4Å; K82-K86 PolarHBondContact O-N 3.06Å
83	F	85.2	Confident	79.5	Confident	16 Å²	16	79.8 Å²	79.8	7%	0.07	40%	0.398	C	S	.	.	H	α-helix	trans	-59.4	-51.5	175.5	173.1	-99.6	0	0	0	111.2	D79 L80 A85 K86 H87 V120 M123 W125 L130	D79-F83 WeakPolarHBondContact O-CB 3.27Å; D79-F83 PolarHBondContact O-N 2.97Å; L80-F83 HydrophobicContact CD1-CD1 4.3Å; L80-F83 PolarHBondContact O-N 2.88Å; F83-A85 PolarHBondContact O-N 3.35Å; F83-K86 WeakPolarHBondContact O-CB 3.37Å; F83-K86 PolarHBondContact O-N 2.77Å; F83-H87 AromaticContact CD2-CD2 3.99Å; F83-H87 AromaticContact CD2-NE2 4Å; F83-H87 AromaticContact CE2-CD2 3.69Å; F83-H87 AromaticContact CE2-NE2 3.49Å; F83-H87 WeakPolarHBondContact CE2-NE2 3.37Å; F83-H87 AromaticContact CZ-CD2 3.85Å; F83-H87 AromaticContact CZ-NE2 3.95Å; F83-H87 PolarHBondContact O-CD2 3.47Å; F83-H87 PolarHBondContact O-N 3.33Å; F83-V120 HydrophobicContact CE1-CG1 4.14Å; F83-M123 HydrophobicContact CZ-SD 4.3Å; F83-W125 HydrophobicContact CB-CH2 3.99Å; F83-W125 HydrophobicContact CB-CZ2 3.74Å; F83-W125 HydrophobicContact CD1-CD2 4.44Å; F83-W125 HydrophobicContact CD1-CE3 4.29Å; F83-W125 HydrophobicContact CD1-CZ3 4.39Å; F83-W125 AromaticContact CD2-CD1 3.73Å; F83-W125 AromaticContact CD2-CD2 3.8Å; F83-W125 HydrophobicContact CD2-CD2 3.8Å; F83-W125 AromaticContact CD2-CE2 3.68Å; F83-W125 HydrophobicContact CD2-CE3 4.45Å; F83-W125 AromaticContact CD2-CG 3.88Å; F83-W125 HydrophobicContact CD2-CG 3.88Å; F83-W125 HydrophobicContact CD2-CZ2 4.24Å; F83-W125 AromaticContact CD2-NE1 3.63Å; F83-W125 HydrophobicContact CE1-CE3 4.48Å; F83-W125 HydrophobicContact CE2-CB 4Å; F83-W125 AromaticContact CE2-CD1 3.78Å; F83-W125 HydrophobicContact CE2-CD2 4Å; F83-W125 AromaticContact CE2-CG 3.69Å; F83-W125 HydrophobicContact CE2-CG 3.69Å; F83-W125 HydrophobicContact CG-CD2 4.04Å; F83-W125 AromaticContact CG-CE2 3.89Å; F83-W125 HydrophobicContact CG-CE3 4.28Å; F83-W125 HydrophobicContact CG-CH2 4.25Å; F83-W125 HydrophobicContact CG-CZ2 4.02Å; F83-W125 HydrophobicContact CG-CZ3 4.37Å; F83-W125 HydrophobicContact CZ-CB 4.23Å; F83-W125 HydrophobicContact CZ-CD2 4.41Å; F83-W125 HydrophobicContact CZ-CG 4.24Å; F83-L130 HydrophobicContact CE1-CD1 3.72Å; F83-L130 HydrophobicContact CZ-CD1 3.74Å
84	L	84.6	Confident	80	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-62.1	-42.8	178.8	-67.4	171.3	0	0	0	112.1	I68 L80 K81 K86 H87 G88 L89 P91 I94 V105 V120	I68-L84 HydrophobicContact CD1-CD2 4.14Å; L80-L84 HydrophobicContact CD1-CD1 4.19Å; L80-L84 HydrophobicContact CD1-CG 4.19Å; L80-L84 HydrophobicContact CG-CD1 4.15Å; L80-L84 WeakPolarHBondContact O-CG 3.48Å; L80-L84 PolarHBondContact O-N 3.33Å; K81-L84 PolarHBondContact O-N 2.94Å; L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 2.94Å; L84-H87 CarbonylContact O-C 3.56Å; L84-H87 PolarHBondContact O-N 3.02Å; L84-H87 VanDerWaalsContact O-N 3.07Å; L84-G88 PolarHBondContact O-N 3.43Å; L84-L89 CarbonylContact C-O 3.51Å; L84-L89 VanDerWaalsContact C-O 3.26Å; L84-L89 HydrophobicContact CB-CB 4.24Å; L84-L89 HydrophobicContact CD2-CD1 4.01Å; L84-L89 WeakPolarHBondContact O-CB 3.3Å; L84-L89 PolarHBondContact O-N 3.18Å; L84-P91 HydrophobicContact CB-CG 4.48Å; L84-P91 HydrophobicContact CD1-CB 4.25Å; L84-P91 HydrophobicContact CD1-CG 3.91Å; L84-I94 HydrophobicContact CD1-CD1 4.22Å; L84-V105 HydrophobicContact CD1-CG1 4.03Å; L84-V105 HydrophobicContact CD1-CG2 4.19Å; L84-V120 HydrophobicContact CD2-CG2 4.19Å
85	A	84.6	Confident	80.5	Confident	52 Å²	52	69.5 Å²	69.5	43%	0.43	35%	0.353	S	S	.	.	H	α-helix	trans	-62	-38.9	177.1	0	0	0	0	0	112.6	K81 K82 F83 H87 G88 L89	K81-A85 WeakPolarHBondContact O-CB 3.41Å; K81-A85 PolarHBondContact O-N 2.84Å; K82-A85 PolarHBondContact O-N 3.14Å; F83-A85 PolarHBondContact O-N 3.35Å; A85-H87 PolarHBondContact O-N 3.06Å; A85-G88 PolarHBondContact O-N 3.46Å; A85-L89 PolarHBondContact N-O 3.17Å
86	K	84.8	Confident	80.6	Confident	179 Å²	179	71 Å²	71	78%	0.778	36%	0.361	S	S	*	.	H	α-helix	trans	-60.2	-28.5	175.3	-173.3	-179.7	178.8	-176.6	0	112.4	K82 F83 L84	K82-K86 WeakPolarHBondContact O-CB 3.4Å; K82-K86 PolarHBondContact O-N 3.06Å; F83-K86 WeakPolarHBondContact O-CB 3.37Å; F83-K86 PolarHBondContact O-N 2.77Å; L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 2.94Å
87	H	81.8	Confident	80.4	Confident	65 Å²	65	72.3 Å²	72.3	30%	0.301	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	17.8	177.8	-66.8	-71.3	0	0	0	113.1	F83 L84 A85 L89 M123	F83-H87 AromaticContact CD2-CD2 3.99Å; F83-H87 AromaticContact CD2-NE2 4Å; F83-H87 AromaticContact CE2-CD2 3.69Å; F83-H87 AromaticContact CE2-NE2 3.49Å; F83-H87 WeakPolarHBondContact CE2-NE2 3.37Å; F83-H87 AromaticContact CZ-CD2 3.85Å; F83-H87 AromaticContact CZ-NE2 3.95Å; F83-H87 PolarHBondContact O-CD2 3.47Å; F83-H87 PolarHBondContact O-N 3.33Å; L84-H87 CarbonylContact O-C 3.56Å; L84-H87 PolarHBondContact O-N 3.02Å; L84-H87 VanDerWaalsContact O-N 3.07Å; A85-H87 PolarHBondContact O-N 3.06Å; H87-L89 VanDerWaalsContact C-N 3.32Å; H87-L89 PolarHBondContact O-N 3.3Å; H87-M123 HydrophobicContact CB-CE 4.36Å; H87-M123 VanDerWaalsContact CE1-SD 3.52Å
88	G	79.3	Confident	79.6	Confident	44 Å²	44	71 Å²	71	45%	0.454	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	30.6	175	0	0	0	0	0	113.8	L84 A85 K115	L84-G88 PolarHBondContact O-N 3.43Å; A85-G88 PolarHBondContact O-N 3.46Å; G88-K115 PolarHBondContact O-NZ 3.01Å
89	L	83.4	Confident	78.7	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.005	38%	0.384	C	S	.	.			trans	-116.1	128.6	176.9	-62.6	170.7	0	0	0	110.2	L84 A85 H87 P91 F107 K115 A116 V120	L84-L89 CarbonylContact C-O 3.51Å; L84-L89 VanDerWaalsContact C-O 3.26Å; L84-L89 HydrophobicContact CB-CB 4.24Å; L84-L89 HydrophobicContact CD2-CD1 4.01Å; L84-L89 WeakPolarHBondContact O-CB 3.3Å; L84-L89 PolarHBondContact O-N 3.18Å; A85-L89 PolarHBondContact N-O 3.17Å; H87-L89 VanDerWaalsContact C-N 3.32Å; H87-L89 PolarHBondContact O-N 3.3Å; L89-P91 VanDerWaalsContact O-CD 3.3Å; L89-P91 WeakPolarHBondContact O-CD 3.26Å; L89-F107 HydrophobicContact CB-CE1 4.18Å; L89-K115 HydrophobicContact CD2-CB 4.14Å; L89-K115 HydrophobicContact CD2-CD 4.02Å; L89-K115 HydrophobicContact CD2-CG 3.98Å; L89-A116 HydrophobicContact CD1-CB 3.79Å; L89-A116 HydrophobicContact CD2-CB 3.96Å; L89-A116 HydrophobicContact CG-CB 4.49Å; L89-V120 HydrophobicContact CD1-CG2 3.45Å; L89-V120 VanDerWaalsContact CD1-CG2 3.45Å
90	N	79.9	Confident	78.2	Confident	103 Å²	103	76.2 Å²	76.2	55%	0.551	39%	0.388	S	S	*	.			trans	-113.9	90.1	-178.1	-76	-32.5	0	0	0	110.9	H92	N90-H92 PolarHBondContact O-N 3.21Å
91	P	79.7	Confident	78.2	Confident	25 Å²	25	78.9 Å²	78.9	16%	0.162	41%	0.405	C	S	.	.			trans	-68.5	131.8	-177.4	28.3	-34.6	0	0	0	111.5	L84 L89 I94 V105 F107	L84-P91 HydrophobicContact CB-CG 4.48Å; L84-P91 HydrophobicContact CD1-CB 4.25Å; L84-P91 HydrophobicContact CD1-CG 3.91Å; L89-P91 VanDerWaalsContact O-CD 3.3Å; L89-P91 WeakPolarHBondContact O-CD 3.26Å; P91-I94 HydrophobicContact CB-CD1 4.19Å; P91-I94 HydrophobicContact CB-CG1 3.76Å; P91-I94 HydrophobicContact CG-CD1 3.65Å; P91-I94 HydrophobicContact CG-CG1 3.81Å; P91-V105 HydrophobicContact CB-CG1 3.46Å; P91-V105 VanDerWaalsContact CB-CG1 3.46Å; P91-F107 HydrophobicContact CB-CE1 4.31Å
92	H	74.8	Confident	78.1	Confident	123 Å²	123	76.1 Å²	76.1	57%	0.569	39%	0.393	S	S	*	.	S	Bend	trans	-70.9	-37.7	172.4	-177.1	66.5	0	0	0	111.2	N90 T106 K108	N90-H92 PolarHBondContact O-N 3.21Å; H92-T106 WeakPolarHBondContact CA-O 3.29Å; H92-T106 WeakPolarHBondContact CB-O 3.13Å; H92-T106 PolarHBondContact N-O 3.35Å; H92-K108 HydrophobicContact CB-CG 4.02Å
93	K	75.9	Confident	78.1	Confident	137 Å²	137	68.8 Å²	68.8	60%	0.596	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.8	136.8	177.1	-166.5	173.9	-175.6	170.3	0	111	V105 T106	K93-V105 WeakPolarHBondContact O-CA 3.42Å; K93-T106 PolarHBondContact N-O 3.21Å; K93-T106 VanDerWaalsContact N-O 3.14Å; K93-T106 PolarHBondContact O-N 3.22Å
94	I	80.9	Confident	78	Confident	19 Å²	19	69.1 Å²	69.1	10%	0.097	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.5	172.3	-54.9	174.7	0	0	0	108.1	F77 L80 K81 L84 P91 L96 V105	F77-I94 HydrophobicContact CD2-CB 4.02Å; F77-I94 HydrophobicContact CD2-CG2 4.3Å; F77-I94 HydrophobicContact CE2-CB 3.8Å; F77-I94 HydrophobicContact CE2-CD1 4.31Å; F77-I94 HydrophobicContact CE2-CG1 4.39Å; L80-I94 HydrophobicContact CD2-CG2 3.67Å; L80-I94 HydrophobicContact CG-CD1 4.5Å; L80-I94 HydrophobicContact CG-CG2 4.38Å; K81-I94 HydrophobicContact CB-CD1 3.89Å; K81-I94 HydrophobicContact CG-CD1 4.39Å; L84-I94 HydrophobicContact CD1-CD1 4.22Å; P91-I94 HydrophobicContact CB-CD1 4.19Å; P91-I94 HydrophobicContact CB-CG1 3.76Å; P91-I94 HydrophobicContact CG-CD1 3.65Å; P91-I94 HydrophobicContact CG-CG1 3.81Å; I94-L96 HydrophobicContact CG2-CG 4.27Å; I94-V105 HydrophobicContact CG1-CG1 4.42Å; I94-V105 HydrophobicContact CG2-CG2 4.43Å
95	K	79.1	Confident	77.9	Confident	110 Å²	110	69.1 Å²	69.1	48%	0.478	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	107.6	174	-168.5	172.5	-176	173.7	0	109.8	F97 A103 F104	K95-F97 HydrophobicContact CD-CE1 4.2Å; K95-F97 HydrophobicContact CD-CE2 4.32Å; K95-F97 HydrophobicContact CD-CZ 3.65Å; K95-F97 HydrophobicContact CG-CE1 4.33Å; K95-F97 HydrophobicContact CG-CE2 4.02Å; K95-F97 HydrophobicContact CG-CZ 3.78Å; K95-A103 WeakPolarHBondContact O-CA 3.26Å; K95-F104 HydrophobicContact CB-CB 4.43Å; K95-F104 PolarHBondContact N-O 3.03Å; K95-F104 PolarHBondContact O-N 2.99Å
96	L	77.4	Confident	77.7	Confident	47 Å²	47	67.2 Å²	67.2	25%	0.246	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	147.2	172.6	-76	160.8	0	0	0	110.1	L71 F77 L80 I94 A103	L71-L96 HydrophobicContact CD1-CD2 3.88Å; F77-L96 VanDerWaalsContact CA-CD1 3.41Å; F77-L96 HydrophobicContact CB-CD1 4.1Å; F77-L96 VanDerWaalsContact N-CD1 3.34Å; L80-L96 HydrophobicContact CD2-CD1 4.46Å; L80-L96 HydrophobicContact CD2-CD2 3.96Å; L80-L96 HydrophobicContact CD2-CG 4.28Å; I94-L96 HydrophobicContact CG2-CG 4.27Å; L96-A103 HydrophobicContact CD2-CB 3.65Å; L96-A103 HydrophobicContact CG-CB 4.23Å
97	F	70	Confident	77.5	Confident	58 Å²	58	58.9 Å²	58.9	25%	0.254	31%	0.309	S	S	.	.			trans	-117.6	74.7	179	-61.5	-90.6	0	0	0	110.6	K95 K99 Q100 F102 F104	K95-F97 HydrophobicContact CD-CE1 4.2Å; K95-F97 HydrophobicContact CD-CE2 4.32Å; K95-F97 HydrophobicContact CD-CZ 3.65Å; K95-F97 HydrophobicContact CG-CE1 4.33Å; K95-F97 HydrophobicContact CG-CE2 4.02Å; K95-F97 HydrophobicContact CG-CZ 3.78Å; F97-K99 PolarHBondContact O-N 3.13Å; F97-K99 VanDerWaalsContact O-N 3.13Å; F97-Q100 HydrophobicContact CB-CB 4.12Å; F97-Q100 HydrophobicContact CB-CG 4.16Å; F97-Q100 VanDerWaalsContact O-CB 3.23Å; F97-Q100 WeakPolarHBondContact O-CB 3.41Å; F97-Q100 WeakPolarHBondContact O-CG 3.16Å; F97-Q100 PolarHBondContact O-N 3.24Å; F97-F102 HydrophobicContact CD2-CD2 4.46Å; F97-F102 AromaticContact CD2-CE2 3.89Å; F97-F102 HydrophobicContact CD2-CE2 3.89Å; F97-F102 HydrophobicContact CD2-CZ 4.42Å; F97-F102 HydrophobicContact CE2-CE2 4.12Å; F97-F104 AromaticContact CE2-CD2 3.4Å; F97-F104 HydrophobicContact CE2-CD2 3.4Å; F97-F104 VanDerWaalsContact CE2-CD2 3.4Å; F97-F104 AromaticContact CE2-CE2 3.59Å; F97-F104 HydrophobicContact CE2-CE2 3.59Å; F97-F104 AromaticContact CZ-CD2 3.8Å; F97-F104 HydrophobicContact CZ-CD2 3.8Å; F97-F104 AromaticContact CZ-CE2 3.91Å; F97-F104 HydrophobicContact CZ-CE2 3.91Å
98	G	62.5	Low	77.1	Confident	72 Å²	72	62 Å²	62	74%	0.742	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	-117.8	170.5	0	0	0	0	0	113.9	Q100	G98-Q100 VanDerWaalsContact C-N 3.26Å; G98-Q100 PolarHBondContact O-N 3Å
99	K	59.4	Low	76.8	Confident	187 Å²	187	62.9 Å²	62.9	81%	0.813	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	1.6	-178.4	-63.8	-175.7	-179.5	180	0	114.6	F97	F97-K99 PolarHBondContact O-N 3.13Å; F97-K99 VanDerWaalsContact O-N 3.13Å
100	Q	71.4	Confident	76.4	Confident	100 Å²	100	67.7 Å²	67.7	47%	0.467	34%	0.339	S	S	.	.			trans	-77.8	144.7	-177.9	-62.5	-177.5	-13	0	0	111.2	F97 G98 F102	F97-Q100 HydrophobicContact CB-CB 4.12Å; F97-Q100 HydrophobicContact CB-CG 4.16Å; F97-Q100 VanDerWaalsContact O-CB 3.23Å; F97-Q100 WeakPolarHBondContact O-CB 3.41Å; F97-Q100 WeakPolarHBondContact O-CG 3.16Å; F97-Q100 PolarHBondContact O-N 3.24Å; G98-Q100 VanDerWaalsContact C-N 3.26Å; G98-Q100 PolarHBondContact O-N 3Å; Q100-F102 HydrophobicContact CB-CD1 3.95Å; Q100-F102 HydrophobicContact CB-CE1 3.8Å; Q100-F102 HydrophobicContact CB-CZ 4.49Å; Q100-F102 HydrophobicContact CG-CE1 4.16Å; Q100-F102 PolarHBondContact O-N 2.89Å
101	T	80.6	Confident	76.3	Confident	56 Å²	56	70.2 Å²	70.2	34%	0.344	35%	0.347	S	S	.	.	S	Bend	trans	-87.6	28.3	-178.5	53.9	0	0	0	0	112.3	R69 N70 L71 K73	R69-T101 CarbonylContact C-O 3.56Å; N70-T101 PolarHBondContact N-O 3.29Å; L71-T101 PolarHBondContact N-O 2.76Å; L71-T101 WeakPolarHBondContact O-CB 3.36Å; L71-T101 WeakPolarHBondContact O-CG2 3.46Å; K73-T101 HydrophobicContact CG-CG2 4.34Å
102	F	81.8	Confident	76.3	Confident	50 Å²	50	71.2 Å²	71.2	22%	0.219	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	156	176.1	71	-90.4	0	0	0	112.7	E67 I68 R69 F97 Q100 F104	E67-F102 HydrophobicContact CG-CD2 4.34Å; I68-F102 CarbonylContact O-C 3.6Å; I68-F102 WeakPolarHBondContact O-CA 3.36Å; I68-F102 VanDerWaalsContact O-CB 3.31Å; I68-F102 WeakPolarHBondContact O-CB 3.37Å; R69-F102 HydrophobicContact CB-CB 4.43Å; R69-F102 HydrophobicContact CG-CB 4.02Å; F97-F102 HydrophobicContact CD2-CD2 4.46Å; F97-F102 AromaticContact CD2-CE2 3.89Å; F97-F102 HydrophobicContact CD2-CE2 3.89Å; F97-F102 HydrophobicContact CD2-CZ 4.42Å; F97-F102 HydrophobicContact CE2-CE2 4.12Å; Q100-F102 HydrophobicContact CB-CD1 3.95Å; Q100-F102 HydrophobicContact CB-CE1 3.8Å; Q100-F102 HydrophobicContact CB-CZ 4.49Å; Q100-F102 HydrophobicContact CG-CE1 4.16Å; Q100-F102 PolarHBondContact O-N 2.89Å; F102-F104 HydrophobicContact CD2-CE2 4.47Å; F102-F104 AromaticContact CE2-CE2 3.94Å; F102-F104 HydrophobicContact CE2-CE2 3.94Å; F102-F104 HydrophobicContact CE2-CZ 4.16Å
103	A	82.6	Confident	76.6	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149.4	176.4	0	0	0	0	0	110.7	E67 I68 L71 L80 K95 L96	E67-A103 WeakPolarHBondContact CA-O 3.28Å; I68-A103 PolarHBondContact N-O 3.13Å; I68-A103 PolarHBondContact O-N 3.3Å; L71-A103 HydrophobicContact CD1-CB 3.55Å; L80-A103 HydrophobicContact CD2-CB 3.62Å; K95-A103 WeakPolarHBondContact O-CA 3.26Å; L96-A103 HydrophobicContact CD2-CB 3.65Å; L96-A103 HydrophobicContact CG-CB 4.23Å
104	F	84.4	Confident	76.8	Confident	24 Å²	24	62.8 Å²	62.8	11%	0.105	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.1	161.9	-64.1	-68.1	0	0	0	109.6	K65 V66 E67 K95 F97 F102 A135	K65-F104 HydrophobicContact CG-CB 4.28Å; K65-F104 HydrophobicContact CG-CD1 4.49Å; V66-F104 WeakPolarHBondContact O-CA 3.45Å; E67-F104 HydrophobicContact CB-CD1 3.92Å; E67-F104 HydrophobicContact CB-CE1 3.73Å; E67-F104 HydrophobicContact CG-CD1 4.05Å; E67-F104 HydrophobicContact CG-CE1 3.61Å; E67-F104 HydrophobicContact CG-CZ 4.25Å; K95-F104 HydrophobicContact CB-CB 4.43Å; K95-F104 PolarHBondContact N-O 3.03Å; K95-F104 PolarHBondContact O-N 2.99Å; F97-F104 AromaticContact CE2-CD2 3.4Å; F97-F104 HydrophobicContact CE2-CD2 3.4Å; F97-F104 VanDerWaalsContact CE2-CD2 3.4Å; F97-F104 AromaticContact CE2-CE2 3.59Å; F97-F104 HydrophobicContact CE2-CE2 3.59Å; F97-F104 AromaticContact CZ-CD2 3.8Å; F97-F104 HydrophobicContact CZ-CD2 3.8Å; F97-F104 AromaticContact CZ-CE2 3.91Å; F97-F104 HydrophobicContact CZ-CE2 3.91Å; F102-F104 HydrophobicContact CD2-CE2 4.47Å; F102-F104 AromaticContact CE2-CE2 3.94Å; F102-F104 HydrophobicContact CE2-CE2 3.94Å; F102-F104 HydrophobicContact CE2-CZ 4.16Å; F104-A135 HydrophobicContact CD1-CB 3.87Å; F104-A135 HydrophobicContact CE1-CB 4.01Å
105	V	81.1	Confident	76.9	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.4	177.6	-175.8	0	0	0	0	108.2	K65 V66 I68 L84 P91 K93 I94 F107	K65-V105 CarbonylContact C-O 3.59Å; K65-V105 WeakPolarHBondContact CA-O 3.32Å; V66-V105 HydrophobicContact CG2-CB 3.97Å; V66-V105 PolarHBondContact N-O 3.22Å; V66-V105 PolarHBondContact O-N 2.97Å; I68-V105 HydrophobicContact CD1-CB 4.44Å; I68-V105 HydrophobicContact CD1-CG2 3.69Å; I68-V105 HydrophobicContact CG1-CG2 4.23Å; L84-V105 HydrophobicContact CD1-CG1 4.03Å; L84-V105 HydrophobicContact CD1-CG2 4.19Å; P91-V105 HydrophobicContact CB-CG1 3.46Å; P91-V105 VanDerWaalsContact CB-CG1 3.46Å; K93-V105 WeakPolarHBondContact O-CA 3.42Å; I94-V105 HydrophobicContact CG1-CG1 4.42Å; I94-V105 HydrophobicContact CG2-CG2 4.43Å; V105-F107 HydrophobicContact CB-CE2 4.27Å; V105-F107 HydrophobicContact CB-CZ 4.4Å; V105-F107 HydrophobicContact CG1-CD2 4.45Å; V105-F107 HydrophobicContact CG1-CE1 4.1Å; V105-F107 HydrophobicContact CG1-CE2 3.75Å; V105-F107 HydrophobicContact CG1-CZ 3.53Å
106	T	80.8	Confident	77	Confident	12 Å²	12	60.9 Å²	60.9	7%	0.074	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.7	177	-57.5	0	0	0	0	109.3	S61 Y64 H92 K93	S61-T106 VanDerWaalsContact O-CG2 3.26Å; S61-T106 WeakPolarHBondContact O-CG2 3.5Å; Y64-T106 WeakPolarHBondContact O-CA 3.29Å; H92-T106 WeakPolarHBondContact CA-O 3.29Å; H92-T106 WeakPolarHBondContact CB-O 3.13Å; H92-T106 PolarHBondContact N-O 3.35Å; K93-T106 PolarHBondContact N-O 3.21Å; K93-T106 VanDerWaalsContact N-O 3.14Å; K93-T106 PolarHBondContact O-N 3.22Å
107	F	80.2	Confident	77.1	Confident	3 Å²	3	60.9 Å²	60.9	1%	0.013	30%	0.304	C	S	.	.			trans	-104	168	177.1	-64.8	-78.6	0	0	0	111.6	Y64 V66 L89 P91 V105 E112 R113 A116	Y64-F107 WeakPolarHBondContact CB-O 3.49Å; Y64-F107 PolarHBondContact O-N 3.42Å; V66-F107 HydrophobicContact CG1-CE2 4.37Å; V66-F107 HydrophobicContact CG2-CD2 4.48Å; V66-F107 HydrophobicContact CG2-CE2 3.69Å; L89-F107 HydrophobicContact CB-CE1 4.18Å; P91-F107 HydrophobicContact CB-CE1 4.31Å; V105-F107 HydrophobicContact CB-CE2 4.27Å; V105-F107 HydrophobicContact CB-CZ 4.4Å; V105-F107 HydrophobicContact CG1-CD2 4.45Å; V105-F107 HydrophobicContact CG1-CE1 4.1Å; V105-F107 HydrophobicContact CG1-CE2 3.75Å; V105-F107 HydrophobicContact CG1-CZ 3.53Å; F107-E112 HydrophobicContact CB-CB 3.86Å; F107-E112 HydrophobicContact CD1-CB 4.03Å; F107-E112 HydrophobicContact CG-CB 4.14Å; F107-R113 HydrophobicContact CB-CB 4.35Å; F107-R113 HydrophobicContact CD2-CB 4.14Å; F107-A116 HydrophobicContact CD2-CB 4.26Å; F107-A116 HydrophobicContact CE1-CB 4.12Å; F107-A116 HydrophobicContact CE2-CB 3.37Å; F107-A116 HydrophobicContact CZ-CB 3.29Å
108	K	73.3	Confident	77.7	Confident	132 Å²	132	66.8 Å²	66.8	57%	0.574	33%	0.329	S	S	*	.	S	Bend	trans	-78.1	-28.4	-176.7	-70	-175.3	176.7	-177.5	0	113.1	H92 E112	H92-K108 HydrophobicContact CB-CG 4.02Å; K108-E112 PolarHBondContact N-OE2 3.05Å
109	N	73.9	Confident	78.5	Confident	61 Å²	61	67.3 Å²	67.3	33%	0.326	31%	0.314	S	S	.	.	S	Bend	trans	-148.2	173.6	-177.5	60.8	30.3	0	0	0	111.4	Y64 E111 E112 R113	Y64-N109 VanDerWaalsContact CD1-C 3.45Å; N109-E111 PolarHBondContact OD1-N 3.07Å; N109-E112 VanDerWaalsContact OD1-CB 3.3Å; N109-E112 WeakPolarHBondContact OD1-CB 3.49Å; N109-E112 WeakPolarHBondContact OD1-CG 3.35Å; N109-E112 PolarHBondContact OD1-N 3.45Å; N109-R113 PolarHBondContact O-N 3.37Å
110	E	75.2	Confident	79.5	Confident	102 Å²	102	58.4 Å²	58.4	48%	0.477	28%	0.275	S	S	.	.	H	α-helix	trans	-60.9	-43.3	178.4	178.9	138.6	-131.4	0	0	112.6	Y64 E112 R113 D114	Y64-E110 HydrophobicContact CD1-CB 4.32Å; Y64-E110 HydrophobicContact CE1-CB 3.88Å; E110-E112 PolarHBondContact O-N 2.61Å; E110-R113 VanDerWaalsContact CG-NH2 3.31Å; E110-R113 WeakPolarHBondContact O-CB 3.38Å; E110-R113 PolarHBondContact O-N 3.15Å; E110-R113 IonicContact OE1-CZ 2.62Å; E110-R113 IonicContact OE1-NH1 3.76Å; E110-R113 PolarHBondContact OE1-NH1 3.45Å; E110-R113 IonicContact OE1-NH2 2.84Å; E110-R113 PolarHBondContact OE1-NH2 3.06Å; E110-D114 PolarHBondContact O-N 3.27Å
111	E	77.9	Confident	80	Confident	156 Å²	156	58.4 Å²	58.4	73%	0.729	28%	0.275	S	S	*	.	H	α-helix	trans	-61.3	-45.4	-177.9	-63.9	-179.7	176.1	0	0	112.3	N109 D114 K115	N109-E111 PolarHBondContact OD1-N 3.07Å; E111-D114 PolarHBondContact O-N 3.24Å; E111-K115 WeakPolarHBondContact O-CB 3.39Å; E111-K115 PolarHBondContact O-N 2.93Å
112	E	79.1	Confident	79.8	Confident	47 Å²	47	57.9 Å²	57.9	22%	0.22	28%	0.281	C	S	.	.	H	α-helix	trans	-66.8	-37.2	177.3	-76.3	-174	165	0	0	112.1	F107 K108 N109 E110 A116	F107-E112 HydrophobicContact CB-CB 3.86Å; F107-E112 HydrophobicContact CD1-CB 4.03Å; F107-E112 HydrophobicContact CG-CB 4.14Å; K108-E112 PolarHBondContact N-OE2 3.05Å; N109-E112 VanDerWaalsContact OD1-CB 3.3Å; N109-E112 WeakPolarHBondContact OD1-CB 3.49Å; N109-E112 WeakPolarHBondContact OD1-CG 3.35Å; N109-E112 PolarHBondContact OD1-N 3.45Å; E110-E112 PolarHBondContact O-N 2.61Å; E112-A116 WeakPolarHBondContact O-CB 3.38Å; E112-A116 PolarHBondContact O-N 2.8Å
113	R	81.1	Confident	79.9	Confident	23 Å²	23	57.5 Å²	57.5	9%	0.087	28%	0.28	C	S	.	.	H	α-helix	trans	-62.5	-47.9	174.5	179.3	-154.6	66.2	-155	-1.4	110.8	I63 V66 F107 N109 E110 A116 M117 L134	I63-R113 VanDerWaalsContact O-CD 3.25Å; I63-R113 WeakPolarHBondContact O-CD 3.24Å; I63-R113 PolarHBondContact O-NH1 3.27Å; V66-R113 HydrophobicContact CG1-CG 3.54Å; F107-R113 HydrophobicContact CB-CB 4.35Å; F107-R113 HydrophobicContact CD2-CB 4.14Å; N109-R113 PolarHBondContact O-N 3.37Å; E110-R113 VanDerWaalsContact CG-NH2 3.31Å; E110-R113 WeakPolarHBondContact O-CB 3.38Å; E110-R113 PolarHBondContact O-N 3.15Å; E110-R113 IonicContact OE1-CZ 2.62Å; E110-R113 IonicContact OE1-NH1 3.76Å; E110-R113 PolarHBondContact OE1-NH1 3.45Å; E110-R113 IonicContact OE1-NH2 2.84Å; E110-R113 PolarHBondContact OE1-NH2 3.06Å; R113-A116 WeakPolarHBondContact O-CB 3.48Å; R113-A116 PolarHBondContact O-N 3.31Å; R113-M117 WeakPolarHBondContact O-CG 3.43Å; R113-M117 PolarHBondContact O-N 2.91Å; R113-L134 HydrophobicContact CG-CD2 4.47Å
114	D	79.8	Confident	79.8	Confident	59 Å²	59	64.4 Å²	64.4	32%	0.316	31%	0.312	S	S	.	.	H	α-helix	trans	-71.4	-34.8	-177.6	-70.6	-6.6	0	0	0	111.7	E110 E111 A116 M117 K118	E110-D114 PolarHBondContact O-N 3.27Å; E111-D114 PolarHBondContact O-N 3.24Å; D114-A116 VanDerWaalsContact C-N 3.33Å; D114-M117 PolarHBondContact O-N 3.09Å; D114-K118 WeakPolarHBondContact O-CG 3.24Å; D114-K118 PolarHBondContact O-N 3.48Å
115	K	83.1	Confident	79.6	Confident	89 Å²	89	64.8 Å²	64.8	39%	0.387	31%	0.313	S	S	.	.	H	α-helix	trans	-59.5	-44.8	168.8	-167.3	-176.8	-178.5	-171.7	0	111	G88 L89 E111 K118 M119	G88-K115 PolarHBondContact O-NZ 3.01Å; L89-K115 HydrophobicContact CD2-CB 4.14Å; L89-K115 HydrophobicContact CD2-CD 4.02Å; L89-K115 HydrophobicContact CD2-CG 3.98Å; E111-K115 WeakPolarHBondContact O-CB 3.39Å; E111-K115 PolarHBondContact O-N 2.93Å; K115-K118 PolarHBondContact O-N 2.87Å; K115-M119 HydrophobicContact CD-CE 4.02Å; K115-M119 HydrophobicContact CD-SD 4.36Å; K115-M119 HydrophobicContact CG-CE 3.46Å; K115-M119 VanDerWaalsContact CG-CE 3.46Å; K115-M119 HydrophobicContact CG-CG 4.43Å; K115-M119 HydrophobicContact CG-SD 3.73Å; K115-M119 VanDerWaalsContact O-CB 3.29Å; K115-M119 WeakPolarHBondContact O-CB 3.22Å; K115-M119 VanDerWaalsContact O-CG 3.29Å; K115-M119 WeakPolarHBondContact O-CG 3.27Å; K115-M119 PolarHBondContact O-N 3.01Å
116	A	81.6	Confident	79.6	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-64.8	-40.5	176.1	0	0	0	0	0	112.5	L89 F107 E112 R113 D114 V120	L89-A116 HydrophobicContact CD1-CB 3.79Å; L89-A116 HydrophobicContact CD2-CB 3.96Å; L89-A116 HydrophobicContact CG-CB 4.49Å; F107-A116 HydrophobicContact CD2-CB 4.26Å; F107-A116 HydrophobicContact CE1-CB 4.12Å; F107-A116 HydrophobicContact CE2-CB 3.37Å; F107-A116 HydrophobicContact CZ-CB 3.29Å; E112-A116 WeakPolarHBondContact O-CB 3.38Å; E112-A116 PolarHBondContact O-N 2.8Å; R113-A116 WeakPolarHBondContact O-CB 3.48Å; R113-A116 PolarHBondContact O-N 3.31Å; D114-A116 VanDerWaalsContact C-N 3.33Å; A116-V120 VanDerWaalsContact O-CB 3.25Å; A116-V120 WeakPolarHBondContact O-CB 3.48Å; A116-V120 PolarHBondContact O-N 2.66Å
117	M	79.4	Confident	79.3	Confident	47 Å²	47	73.5 Å²	73.5	23%	0.232	37%	0.365	C	S	.	.	H	α-helix	trans	-60.4	-48.6	175	-75.7	-73.7	-67.4	0	0	111.7	V66 R113 D114 H121 V132 R133 L134	V66-M117 HydrophobicContact CB-SD 4.41Å; V66-M117 HydrophobicContact CG1-CG 3.92Å; V66-M117 HydrophobicContact CG1-SD 3.97Å; R113-M117 WeakPolarHBondContact O-CG 3.43Å; R113-M117 PolarHBondContact O-N 2.91Å; D114-M117 PolarHBondContact O-N 3.09Å; M117-H121 WeakPolarHBondContact O-CB 3.27Å; M117-H121 PolarHBondContact O-N 3.25Å; M117-V132 HydrophobicContact CG-CG1 4.41Å; M117-V132 HydrophobicContact SD-CB 4.08Å; M117-V132 HydrophobicContact SD-CG1 3.51Å; M117-V132 VanDerWaalsContact SD-CG1 3.51Å; M117-R133 VanDerWaalsContact SD-C 3.52Å; M117-L134 HydrophobicContact CE-CG 4.33Å
118	K	81.4	Confident	79.4	Confident	181 Å²	181	77.8 Å²	77.8	79%	0.787	39%	0.385	S	S	*	.	H	α-helix	trans	-69.7	-41.6	-179	-71.5	-179.3	-177.6	176.4	0	112.8	D114 K115	D114-K118 WeakPolarHBondContact O-CG 3.24Å; D114-K118 PolarHBondContact O-N 3.48Å; K115-K118 PolarHBondContact O-N 2.87Å
119	M	80.6	Confident	79.9	Confident	84 Å²	84	75.3 Å²	75.3	41%	0.414	38%	0.38	S	S	.	.	H	α-helix	trans	-80.9	-46.2	-173.8	-68.2	-177.4	-175.8	0	0	112.3	K115 M123	K115-M119 HydrophobicContact CD-CE 4.02Å; K115-M119 HydrophobicContact CD-SD 4.36Å; K115-M119 HydrophobicContact CG-CE 3.46Å; K115-M119 VanDerWaalsContact CG-CE 3.46Å; K115-M119 HydrophobicContact CG-CG 4.43Å; K115-M119 HydrophobicContact CG-SD 3.73Å; K115-M119 VanDerWaalsContact O-CB 3.29Å; K115-M119 WeakPolarHBondContact O-CB 3.22Å; K115-M119 VanDerWaalsContact O-CG 3.29Å; K115-M119 WeakPolarHBondContact O-CG 3.27Å; K115-M119 PolarHBondContact O-N 3.01Å; M119-M123 VanDerWaalsContact C-CE 3.45Å; M119-M123 HydrophobicContact CB-CE 4.08Å; M119-M123 WeakPolarHBondContact O-CE 3.43Å; M119-M123 WeakPolarHBondContact O-CG 3.48Å
120	V	80.4	Confident	80.5	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-85.9	-21.3	-170	-176.3	0	0	0	0	112.1	I68 F83 L84 L89 A116 G122 M123 L130 V132	I68-V120 HydrophobicContact CD1-CG1 4.32Å; I68-V120 HydrophobicContact CG2-CG1 4.47Å; F83-V120 HydrophobicContact CE1-CG1 4.14Å; L84-V120 HydrophobicContact CD2-CG2 4.19Å; L89-V120 HydrophobicContact CD1-CG2 3.45Å; L89-V120 VanDerWaalsContact CD1-CG2 3.45Å; A116-V120 VanDerWaalsContact O-CB 3.25Å; A116-V120 WeakPolarHBondContact O-CB 3.48Å; A116-V120 PolarHBondContact O-N 2.66Å; V120-G122 PolarHBondContact O-N 2.96Å; V120-M123 HydrophobicContact CG2-CE 4.28Å; V120-M123 PolarHBondContact O-N 3.38Å; V120-L130 HydrophobicContact CG1-CB 4.45Å; V120-L130 HydrophobicContact CG1-CD1 3.86Å; V120-V132 HydrophobicContact CB-CG2 3.68Å; V120-V132 HydrophobicContact CG1-CG2 3.6Å
121	H	82.6	Confident	80.7	Confident	100 Å²	100	68.4 Å²	68.4	46%	0.463	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	126.6	173.4	-168.9	101.7	0	0	0	110.7	M117 M123 V132	M117-H121 WeakPolarHBondContact O-CB 3.27Å; M117-H121 PolarHBondContact O-N 3.25Å; H121-M123 VanDerWaalsContact C-N 3.27Å; H121-M123 PolarHBondContact O-N 2.87Å; H121-V132 HydrophobicContact CB-CB 4.19Å; H121-V132 HydrophobicContact CB-CG2 4.41Å; H121-V132 PolarHBondContact ND1-N 3.28Å; H121-V132 VanDerWaalsContact ND1-N 3.19Å; H121-V132 PolarHBondContact ND1-O 2.98Å
122	G	75.8	Confident	81	Confident	45 Å²	45	61.1 Å²	61.1	46%	0.464	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-3.3	-178.7	0	0	0	0	0	114.5	V120 L130	V120-G122 PolarHBondContact O-N 2.96Å; G122-L130 PolarHBondContact N-O 2.97Å
123	M	82.4	Confident	81.1	Confident	42 Å²	42	65.3 Å²	65.3	21%	0.207	33%	0.328	C	S	.	.			trans	-72.7	140	177.1	-105.7	-157.8	-104.3	0	0	111.8	F83 H87 M119 V120 H121 L130	F83-M123 HydrophobicContact CZ-SD 4.3Å; H87-M123 HydrophobicContact CB-CE 4.36Å; H87-M123 VanDerWaalsContact CE1-SD 3.52Å; M119-M123 VanDerWaalsContact C-CE 3.45Å; M119-M123 HydrophobicContact CB-CE 4.08Å; M119-M123 WeakPolarHBondContact O-CE 3.43Å; M119-M123 WeakPolarHBondContact O-CG 3.48Å; V120-M123 HydrophobicContact CG2-CE 4.28Å; V120-M123 PolarHBondContact O-N 3.38Å; H121-M123 VanDerWaalsContact C-N 3.27Å; H121-M123 PolarHBondContact O-N 2.87Å; M123-L130 PolarHBondContact O-N 3.47Å
124	Q	81.1	Confident	80.8	Confident	145 Å²	145	68.9 Å²	68.9	68%	0.678	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	120	175.5	-157.8	177.3	12.4	0	0	110.6	Q128	Q124-Q128 CarbonylContact C-O 3.58Å; Q124-Q128 WeakPolarHBondContact CA-O 3.43Å
125	W	81.6	Confident	80.1	Confident	31 Å²	31	66.5 Å²	66.5	12%	0.117	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.1	175.2	-172.3	35.1	0	0	0	110.8	L71 P72 V75 L80 F83 G127 Q128 L130	L71-W125 HydrophobicContact CD2-CE3 4.22Å; L71-W125 HydrophobicContact CD2-CZ3 3.92Å; P72-W125 HydrophobicContact CG-CD2 4.22Å; P72-W125 HydrophobicContact CG-CE3 4.14Å; P72-W125 WeakPolarHBondContact CG-O 3.31Å; V75-W125 HydrophobicContact CB-CH2 4.42Å; V75-W125 HydrophobicContact CG1-CH2 3.57Å; V75-W125 HydrophobicContact CG1-CZ3 3.93Å; V75-W125 HydrophobicContact CG2-CH2 3.87Å; V75-W125 HydrophobicContact CG2-CZ2 4.48Å; V75-W125 HydrophobicContact CG2-CZ3 4.04Å; L80-W125 HydrophobicContact CB-CH2 4.39Å; L80-W125 HydrophobicContact CD1-CH2 4.28Å; L80-W125 HydrophobicContact CD1-CZ3 3.92Å; F83-W125 HydrophobicContact CB-CH2 3.99Å; F83-W125 HydrophobicContact CB-CZ2 3.74Å; F83-W125 HydrophobicContact CD1-CD2 4.44Å; F83-W125 HydrophobicContact CD1-CE3 4.29Å; F83-W125 HydrophobicContact CD1-CZ3 4.39Å; F83-W125 AromaticContact CD2-CD1 3.73Å; F83-W125 AromaticContact CD2-CD2 3.8Å; F83-W125 HydrophobicContact CD2-CD2 3.8Å; F83-W125 AromaticContact CD2-CE2 3.68Å; F83-W125 HydrophobicContact CD2-CE3 4.45Å; F83-W125 AromaticContact CD2-CG 3.88Å; F83-W125 HydrophobicContact CD2-CG 3.88Å; F83-W125 HydrophobicContact CD2-CZ2 4.24Å; F83-W125 AromaticContact CD2-NE1 3.63Å; F83-W125 HydrophobicContact CE1-CE3 4.48Å; F83-W125 HydrophobicContact CE2-CB 4Å; F83-W125 AromaticContact CE2-CD1 3.78Å; F83-W125 HydrophobicContact CE2-CD2 4Å; F83-W125 AromaticContact CE2-CG 3.69Å; F83-W125 HydrophobicContact CE2-CG 3.69Å; F83-W125 HydrophobicContact CG-CD2 4.04Å; F83-W125 AromaticContact CG-CE2 3.89Å; F83-W125 HydrophobicContact CG-CE3 4.28Å; F83-W125 HydrophobicContact CG-CH2 4.25Å; F83-W125 HydrophobicContact CG-CZ2 4.02Å; F83-W125 HydrophobicContact CG-CZ3 4.37Å; F83-W125 HydrophobicContact CZ-CB 4.23Å; F83-W125 HydrophobicContact CZ-CD2 4.41Å; F83-W125 HydrophobicContact CZ-CG 4.24Å; W125-G127 PolarHBondContact O-N 3.5Å; W125-Q128 PolarHBondContact N-O 3.05Å; W125-Q128 PolarHBondContact O-N 3.41Å; W125-L130 HydrophobicContact CB-CD1 3.95Å; W125-L130 HydrophobicContact CB-CD2 4.44Å; W125-L130 HydrophobicContact CB-CG 4.16Å; W125-L130 HydrophobicContact CE3-CD1 4.14Å; W125-L130 HydrophobicContact CE3-CD2 4.41Å
126	K	79.5	Confident	78.8	Confident	144 Å²	144	70.5 Å²	70.5	63%	0.626	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	44.6	-176.7	-58.8	-177	176.1	-177.8	0	112.9	P72 Q128	P72-K126 HydrophobicContact CB-CB 4.19Å; P72-K126 HydrophobicContact CB-CD 4.21Å; P72-K126 HydrophobicContact CG-CB 3.78Å; P72-K126 HydrophobicContact CG-CD 4.17Å; P72-K126 HydrophobicContact CG-CG 4.29Å; K126-Q128 VanDerWaalsContact C-N 3.33Å; K126-Q128 PolarHBondContact O-N 2.95Å
127	G	75.8	Confident	77.3	Confident	52 Å²	52	72.5 Å²	72.5	54%	0.536	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	4.2	178.4	0	0	0	0	0	115.7	W125	W125-G127 PolarHBondContact O-N 3.5Å
128	Q	81.4	Confident	75.8	Confident	92 Å²	92	76.5 Å²	76.5	43%	0.43	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.1	174.7	-64	-65.4	-59.8	0	0	110.7	N70 Q124 W125 K126	N70-Q128 VanDerWaalsContact O-CB 3.27Å; N70-Q128 WeakPolarHBondContact O-CB 3.37Å; Q124-Q128 CarbonylContact C-O 3.58Å; Q124-Q128 WeakPolarHBondContact CA-O 3.43Å; W125-Q128 PolarHBondContact N-O 3.05Å; W125-Q128 PolarHBondContact O-N 3.41Å; K126-Q128 VanDerWaalsContact C-N 3.33Å; K126-Q128 PolarHBondContact O-N 2.95Å
129	V	84.4	Confident	73.9	Confident	80 Å²	80	69.3 Å²	69.3	49%	0.485	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	114	172.6	-178.6	0	0	0	0	108.5	N70	N70-V129 VanDerWaalsContact CB-O 3.27Å; N70-V129 WeakPolarHBondContact CB-O 3.47Å; N70-V129 PolarHBondContact ND2-O 3.34Å; N70-V129 VanDerWaalsContact ND2-O 3.14Å
130	L	85.6	Confident	72.3	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.005	35%	0.349	C	S	.	.			trans	-72	138.9	-178.8	-59.4	-176.6	0	0	0	110.3	I68 N70 L71 F83 V120 G122 M123 W125	I68-L130 HydrophobicContact CG2-CB 4.5Å; I68-L130 HydrophobicContact CG2-CD1 4.46Å; N70-L130 WeakPolarHBondContact O-CD2 3.32Å; L71-L130 HydrophobicContact CD2-CD2 4.02Å; F83-L130 HydrophobicContact CE1-CD1 3.72Å; F83-L130 HydrophobicContact CZ-CD1 3.74Å; V120-L130 HydrophobicContact CG1-CB 4.45Å; V120-L130 HydrophobicContact CG1-CD1 3.86Å; G122-L130 PolarHBondContact N-O 2.97Å; M123-L130 PolarHBondContact O-N 3.47Å; W125-L130 HydrophobicContact CB-CD1 3.95Å; W125-L130 HydrophobicContact CB-CD2 4.44Å; W125-L130 HydrophobicContact CB-CG 4.16Å; W125-L130 HydrophobicContact CE3-CD1 4.14Å; W125-L130 HydrophobicContact CE3-CD2 4.41Å
131	S	81	Confident	70.6	Confident	18 Å²	18	72.4 Å²	72.4	13%	0.126	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.6	172.7	-175	0	0	0	0	108.7	R69	R69-S131 PolarHBondContact N-O 3.38Å; R69-S131 PolarHBondContact O-N 3.26Å; R69-S131 VanDerWaalsContact O-N 3.12Å
132	V	83.4	Confident	68.8	Low	2 Å²	2	68.5 Å²	68.5	1%	0.012	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.7	176.1	-166.5	0	0	0	0	109.3	V66 E67 I68 M117 V120 H121	V66-V132 HydrophobicContact CB-CG1 3.69Å; V66-V132 HydrophobicContact CG1-CG1 4.26Å; V66-V132 HydrophobicContact CG2-CG1 3.83Å; E67-V132 WeakPolarHBondContact O-CA 3.33Å; I68-V132 HydrophobicContact CB-CG2 4.48Å; I68-V132 HydrophobicContact CG1-CG1 4.14Å; I68-V132 HydrophobicContact CG1-CG2 4.01Å; I68-V132 HydrophobicContact CG2-CG2 4.27Å; M117-V132 HydrophobicContact CG-CG1 4.41Å; M117-V132 HydrophobicContact SD-CB 4.08Å; M117-V132 HydrophobicContact SD-CG1 3.51Å; M117-V132 VanDerWaalsContact SD-CG1 3.51Å; V120-V132 HydrophobicContact CB-CG2 3.68Å; V120-V132 HydrophobicContact CG1-CG2 3.6Å; H121-V132 HydrophobicContact CB-CB 4.19Å; H121-V132 HydrophobicContact CB-CG2 4.41Å; H121-V132 PolarHBondContact ND1-N 3.28Å; H121-V132 VanDerWaalsContact ND1-N 3.19Å; H121-V132 PolarHBondContact ND1-O 2.98Å
133	R	80.8	Confident	67.5	Low	135 Å²	135	69.4 Å²	69.4	51%	0.509	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.2	176.5	-61.1	-175.8	-175.5	-165.1	-2.2	108.9	V66 E67 M117 A135	V66-R133 CarbonylContact C-O 3.44Å; V66-R133 WeakPolarHBondContact CA-O 3.49Å; E67-R133 PolarHBondContact N-O 2.66Å; E67-R133 PolarHBondContact O-N 3.44Å; M117-R133 VanDerWaalsContact SD-C 3.52Å; R133-A135 PolarHBondContact O-N 2.64Å
134	L	74.6	Confident	65.8	Low	98 Å²	98	75.4 Å²	75.4	51%	0.513	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	130.9	164.8	-74.1	168.4	0	0	0	108.2	R113 M117 K136	R113-L134 HydrophobicContact CG-CD2 4.47Å; M117-L134 HydrophobicContact CE-CG 4.33Å; L134-K136 PolarHBondContact O-N 2.96Å
135	A	65.2	Low	64.5	Low	9 Å²	9	75 Å²	75	7%	0.074	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-64.7	123	177.2	0	0	0	0	0	107.6	K65 F104 R133	K65-A135 HydrophobicContact CB-CB 4.04Å; K65-A135 HydrophobicContact CD-CB 4Å; K65-A135 HydrophobicContact CG-CB 3.69Å; K65-A135 VanDerWaalsContact O-CB 3.3Å; K65-A135 WeakPolarHBondContact O-CB 3.44Å; K65-A135 PolarHBondContact O-N 2.92Å; F104-A135 HydrophobicContact CD1-CB 3.87Å; F104-A135 HydrophobicContact CE1-CB 4.01Å; R133-A135 PolarHBondContact O-N 2.64Å
136	K	55.4	Low	63	Low	174 Å²	174	81.2 Å²	81.2	76%	0.757	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-56.7	127.8	171	-69.9	-170.1	176.7	-169.6	0	107.4	L134 K138	L134-K136 PolarHBondContact O-N 2.96Å; K136-K138 PolarHBondContact O-N 3.1Å; K136-K138 VanDerWaalsContact O-N 3.16Å
137	P	50.6	Low	61.6	Low	43 Å²	43	77.2 Å²	77.2	28%	0.279	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-54.9	127.7	175.6	-16.2	26	0	0	0	107.3	Y51 Y53 I54 A139	Y51-P137 HydrophobicContact CD1-CB 4.01Å; Y51-P137 HydrophobicContact CD1-CG 4.18Å; Y51-P137 HydrophobicContact CE1-CB 4.08Å; Y51-P137 HydrophobicContact CE1-CG 4.28Å; Y53-P137 WeakPolarHBondContact OH-CB 3.28Å; I54-P137 HydrophobicContact CD1-CB 3.4Å; I54-P137 VanDerWaalsContact CD1-CB 3.4Å; I54-P137 HydrophobicContact CD1-CG 3.29Å; P137-A139 PolarHBondContact O-N 2.88Å
138	K	47.5	Very low	60.3	Low	131 Å²	131	80.2 Å²	80.2	57%	0.57	38%	0.38	S	S	*	.			trans	-68.8	112.8	172.6	-79.2	-167.6	173.8	-165.9	0	107	Y53 K136 D140	Y53-K138 PolarHBondContact OH-O 2.9Å; K136-K138 PolarHBondContact O-N 3.1Å; K136-K138 VanDerWaalsContact O-N 3.16Å; K138-D140 PolarHBondContact O-N 2.87Å
139	A	41.9	Very low	58.5	Low	30 Å²	30	78.2 Å²	78.2	25%	0.248	39%	0.385	C	S	.	.			trans	-50.1	132.8	166.5	0	0	0	0	0	108.6	P137	P137-A139 PolarHBondContact O-N 2.88Å
140	D	46.6	Very low	56.5	Low	44 Å²	44	81.3 Å²	81.3	24%	0.235	39%	0.394	C	S	.	.			trans	-52.8	125.6	-179.6	-164.3	-41.5	0	0	0	109	K138 I142 L143 R144	K138-D140 PolarHBondContact O-N 2.87Å; D140-I142 PolarHBondContact O-N 2.82Å; D140-I142 VanDerWaalsContact OD1-CB 3.29Å; D140-I142 WeakPolarHBondContact OD1-CB 3.22Å; D140-I142 WeakPolarHBondContact OD1-CG1 3.38Å; D140-I142 PolarHBondContact OD1-N 3.37Å; D140-L143 HydrophobicContact CB-CB 4.09Å; D140-L143 HydrophobicContact CB-CD1 3.91Å; D140-L143 HydrophobicContact CB-CG 4.07Å; D140-L143 PolarHBondContact O-N 2.94Å; D140-L143 VanDerWaalsContact O-N 3.14Å; D140-R144 PolarHBondContact O-N 2.97Å
141	P	45.3	Very low	54.2	Low	104 Å²	104	88.5 Å²	88.5	68%	0.675	43%	0.427	S	S	*	.	H	α-helix	trans	-49.6	-26.9	174.1	-26.3	33.4	0	0	0	113.4	K145	P141-K145 PolarHBondContact O-N 3.21Å
142	I	44.8	Very low	52	Low	19 Å²	19	92.9 Å²	92.9	10%	0.097	45%	0.446	C	S	.	.	H	α-helix	trans	-78.6	-47.6	-179	-56.9	171.1	0	0	0	110.9	D140 R144 K145 R146 Y272 E314	D140-I142 PolarHBondContact O-N 2.82Å; D140-I142 VanDerWaalsContact OD1-CB 3.29Å; D140-I142 WeakPolarHBondContact OD1-CB 3.22Å; D140-I142 WeakPolarHBondContact OD1-CG1 3.38Å; D140-I142 PolarHBondContact OD1-N 3.37Å; I142-R144 VanDerWaalsContact C-N 3.26Å; I142-R144 PolarHBondContact O-N 2.93Å; I142-K145 PolarHBondContact O-N 3.16Å; I142-K145 VanDerWaalsContact O-N 3.13Å; I142-R146 PolarHBondContact O-N 3.04Å; I142-Y272 HydrophobicContact CD1-CE1 3.99Å; I142-E314 HydrophobicContact CD1-CG 4.21Å
143	L	49.1	Very low	49.7	Very low	63 Å²	63	96.8 Å²	96.8	33%	0.33	49%	0.486	S	S	.	.	H	α-helix	trans	-62.3	-34.8	174.8	-75.6	168.7	0	0	0	112.1	D140 K145 R146 K147	D140-L143 HydrophobicContact CB-CB 4.09Å; D140-L143 HydrophobicContact CB-CD1 3.91Å; D140-L143 HydrophobicContact CB-CG 4.07Å; D140-L143 PolarHBondContact O-N 2.94Å; D140-L143 VanDerWaalsContact O-N 3.14Å; L143-K145 VanDerWaalsContact C-N 3.31Å; L143-K145 PolarHBondContact O-N 2.73Å; L143-R146 PolarHBondContact O-N 3.05Å; L143-K147 PolarHBondContact O-N 2.85Å
144	R	47.2	Very low	47.2	Very low	169 Å²	169	96 Å²	96	64%	0.638	49%	0.489	S	S	*	.	H	α-helix	trans	-66.8	-33.2	176.8	-155.9	176.4	177.5	-174.9	-2.3	112.4	D140 I142 Q148	D140-R144 PolarHBondContact O-N 2.97Å; I142-R144 VanDerWaalsContact C-N 3.26Å; I142-R144 PolarHBondContact O-N 2.93Å; R144-Q148 WeakPolarHBondContact O-CB 3.32Å; R144-Q148 WeakPolarHBondContact O-CG 3.08Å; R144-Q148 PolarHBondContact O-N 3Å; R144-Q148 VanDerWaalsContact O-N 3.17Å
145	K	52.5	Low	45.3	Very low	136 Å²	136	97 Å²	97	59%	0.591	50%	0.5	S	S	*	.	H	α-helix	trans	-76.2	-37.5	173.9	-108.1	-171.5	178.2	-166.7	0	112.4	P141 I142 L143 Q148 G149	P141-K145 PolarHBondContact O-N 3.21Å; I142-K145 PolarHBondContact O-N 3.16Å; I142-K145 VanDerWaalsContact O-N 3.13Å; L143-K145 VanDerWaalsContact C-N 3.31Å; L143-K145 PolarHBondContact O-N 2.73Å; K145-Q148 PolarHBondContact O-N 3.31Å; K145-G149 PolarHBondContact O-N 3.08Å; K145-G149 VanDerWaalsContact O-N 3.08Å
146	R	51	Low	43.8	Very low	162 Å²	162	101.3 Å²	101.3	61%	0.611	54%	0.537	S	S	*	.	H	α-helix	trans	-65.4	-47.3	174.5	-107.7	-179	173.3	160.6	-3.7	111.9	I142 L143 Q148 G149 E150	I142-R146 PolarHBondContact O-N 3.04Å; L143-R146 PolarHBondContact O-N 3.05Å; R146-Q148 PolarHBondContact O-N 3.4Å; R146-G149 CarbonylContact O-C 3.48Å; R146-G149 WeakPolarHBondContact O-CA 3.39Å; R146-G149 PolarHBondContact O-N 3.41Å; R146-E150 WeakPolarHBondContact O-CG 3.15Å; R146-E150 PolarHBondContact O-N 2.99Å
147	K	50.1	Low	42.7	Very low	60 Å²	60	98.1 Å²	98.1	26%	0.261	54%	0.536	S	S	.	.	H	α-helix	trans	-61.8	-38.9	173.8	-90	-165.1	171.6	-164.5	0	113	M50 L143 G149 E150 E151	M50-K147 HydrophobicContact SD-CD 4.27Å; L143-K147 PolarHBondContact O-N 2.85Å; K147-G149 PolarHBondContact O-N 2.84Å; K147-E150 PolarHBondContact O-N 3.23Å; K147-E150 VanDerWaalsContact O-N 3.14Å; K147-E151 WeakPolarHBondContact O-CB 3.36Å; K147-E151 PolarHBondContact O-N 3.27Å
148	Q	47.9	Very low	41.8	Very low	114 Å²	114	105.1 Å²	105.1	53%	0.533	56%	0.562	S	S	.	*	H	α-helix	trans	-63.1	-29.6	172.7	-83	179.1	-17.6	0	0	112.9	R144 K145 R146	R144-Q148 WeakPolarHBondContact O-CB 3.32Å; R144-Q148 WeakPolarHBondContact O-CG 3.08Å; R144-Q148 PolarHBondContact O-N 3Å; R144-Q148 VanDerWaalsContact O-N 3.17Å; K145-Q148 PolarHBondContact O-N 3.31Å; R146-Q148 PolarHBondContact O-N 3.4Å
149	G	44.3	Very low	41.1	Very low	51 Å²	51	105.7 Å²	105.7	53%	0.526	56%	0.561	S	S	.	*	H	α-helix	trans	-84.3	-14.2	172.9	0	0	0	0	0	115.1	K145 R146 K147	K145-G149 PolarHBondContact O-N 3.08Å; K145-G149 VanDerWaalsContact O-N 3.08Å; R146-G149 CarbonylContact O-C 3.48Å; R146-G149 WeakPolarHBondContact O-CA 3.39Å; R146-G149 PolarHBondContact O-N 3.41Å; K147-G149 PolarHBondContact O-N 2.84Å
150	E	40.8	Very low	40.5	Very low	144 Å²	144	110.6 Å²	110.6	67%	0.673	59%	0.587	S	S	*	*	H	α-helix	trans	-99.8	-33.5	178.8	-75.5	173.5	175	0	0	112.7	R146 K147	R146-E150 WeakPolarHBondContact O-CG 3.15Å; R146-E150 PolarHBondContact O-N 2.99Å; K147-E150 PolarHBondContact O-N 3.23Å; K147-E150 VanDerWaalsContact O-N 3.14Å
151	E	38.3	Very low	39.8	Very low	153 Å²	153	117.3 Å²	117.3	72%	0.715	62%	0.617	S	S	*	*	H	α-helix	trans	-80	-29.1	176.7	-75.5	176.7	178.2	0	0	112.5	K147	K147-E151 WeakPolarHBondContact O-CB 3.36Å; K147-E151 PolarHBondContact O-N 3.27Å
152	E	33.8	Very low	39.1	Very low	109 Å²	109	123.3 Å²	123.3	51%	0.509	63%	0.627	S	S	.	*	S	Bend	trans	-89.7	100.4	163.6	-67.2	-177.1	-170.3	0	0	107.2	Q154	E152-Q154 HydrophobicContact CB-CG 4.4Å; E152-Q154 PolarHBondContact O-N 2.75Å; E152-Q154 PolarHBondContact OE2-NE2 3.44Å
153	G	35.1	Very low	38.5	Very low	84 Å²	84	126.1 Å²	126.1	87%	0.866	66%	0.66	S	S	*	*			trans	-63.7	59.7	169.2	0	0	0	0	0	112.5
154	Q	29.1	Very low	37.8	Very low	120 Å²	120	130 Å²	130	56%	0.561	68%	0.681	S	S	*	*			trans	-114.2	133.6	179.5	-77.6	178.3	57.4	0	0	108.7	E152	E152-Q154 HydrophobicContact CB-CG 4.4Å; E152-Q154 PolarHBondContact O-N 2.75Å; E152-Q154 PolarHBondContact OE2-NE2 3.44Å
155	P	34	Very low	37.4	Very low	117 Å²	117	131 Å²	131	76%	0.76	69%	0.693	S	S	*	*			trans	-61.3	157.1	169.1	28.3	-31.7	0	0	0	109.5	S157	P155-S157 PolarHBondContact O-N 3.42Å
156	A	34	Very low	36.9	Very low	101 Å²	101	131.3 Å²	131.3	84%	0.835	70%	0.697	S	S	*	*	S	Bend	trans	-30.9	124.3	178.4	0	0	0	0	0	112.7
157	S	32.7	Very low	36.7	Very low	106 Å²	106	132.5 Å²	132.5	74%	0.741	71%	0.706	S	S	*	*			trans	-19.1	123.5	-171.8	64.1	0	0	0	0	116	P155 R159	P155-S157 PolarHBondContact O-N 3.42Å; S157-R159 PolarHBondContact O-N 3.14Å
158	K	31.3	Very low	37.5	Very low	191 Å²	191	137.3 Å²	137.3	83%	0.83	73%	0.73	S	S	*	*			trans	-52	102.9	162	-93.7	-177.8	173.1	-178.1	0	110
159	R	34.4	Very low	39	Very low	143 Å²	143	136.9 Å²	136.9	54%	0.54	73%	0.728	S	S	.	*			trans	-46	137.7	153.2	-80.6	172.5	165.4	179.7	-10.2	108.1	S157 E161 E166	S157-R159 PolarHBondContact O-N 3.14Å; R159-E161 PolarHBondContact O-N 3.33Å; R159-E161 VanDerWaalsContact O-N 3.16Å; R159-E166 PolarHBondContact NH1-O 3.49Å; R159-E166 PolarHBondContact NH2-O 2.98Å
160	T	28.5	Very low	41.1	Very low	132 Å²	132	138.2 Å²	138.2	81%	0.81	73%	0.727	S	S	*	*			trans	-56.7	120.2	169.6	-31.8	0	0	0	0	107.3	R162	T160-R162 PolarHBondContact O-N 3.31Å
161	E	32.7	Very low	43.2	Very low	185 Å²	185	134.8 Å²	134.8	86%	0.864	71%	0.713	S	S	*	*			trans	-64.4	86.9	172.4	-75.4	176.1	174.3	0	0	109	R159	R159-E161 PolarHBondContact O-N 3.33Å; R159-E161 VanDerWaalsContact O-N 3.16Å
162	R	30.2	Very low	45.4	Very low	231 Å²	231	129.8 Å²	129.8	87%	0.872	70%	0.695	S	S	*	*			trans	-114.5	118.3	143.1	-82	-175.1	176.9	-171	-1.8	105	T160 D164	T160-R162 PolarHBondContact O-N 3.31Å; R162-D164 PolarHBondContact O-N 3.21Å
163	G	32.5	Very low	48	Very low	77 Å²	77	126.1 Å²	126.1	79%	0.794	68%	0.68	S	S	*	*	S	Bend	trans	-57	108.4	-179.7	0	0	0	0	0	110.4
164	D	34.4	Very low	50.5	Low	146 Å²	146	125.2 Å²	125.2	78%	0.781	65%	0.653	S	S	*	*			trans	-160.3	129.5	140.1	-86	-34.1	0	0	0	105.3	R162 E166	R162-D164 PolarHBondContact O-N 3.21Å; D164-E166 PolarHBondContact O-N 3.08Å
165	E	37.1	Very low	53.3	Low	189 Å²	189	119.6 Å²	119.6	88%	0.883	63%	0.627	S	S	*	*			trans	-65.1	81.6	174.7	-69	178.8	159.8	0	0	109.5	K167	E165-K167 VanDerWaalsContact C-N 3.29Å; E165-K167 PolarHBondContact O-N 3.37Å
166	E	42.2	Very low	56	Low	142 Å²	142	114.3 Å²	114.3	66%	0.664	59%	0.593	S	S	*	*			trans	-67.5	91.3	169	-79.8	-175	170.4	0	0	108.4	R159 D164 E168	R159-E166 PolarHBondContact NH1-O 3.49Å; R159-E166 PolarHBondContact NH2-O 2.98Å; D164-E166 PolarHBondContact O-N 3.08Å; E166-E168 PolarHBondContact O-N 3.47Å
167	K	47.2	Very low	58.6	Low	188 Å²	188	112.2 Å²	112.2	82%	0.817	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-47.2	124.5	160.5	-73.9	-179.4	177.9	177	0	107.6	E165 E169	E165-K167 VanDerWaalsContact C-N 3.29Å; E165-K167 PolarHBondContact O-N 3.37Å; K167-E169 PolarHBondContact O-N 3.13Å
168	E	66.4	Low	61.3	Low	161 Å²	161	109.7 Å²	109.7	75%	0.752	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-55.1	128.7	170.6	-78	-172.1	154.1	0	0	108.7	E166	E166-E168 PolarHBondContact O-N 3.47Å
169	E	80.9	Confident	64.1	Low	104 Å²	104	102 Å²	102	49%	0.486	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-57.3	142	-179.2	-69.3	-176.1	156.3	0	0	110.3	K167 V173 Q174 N177	K167-E169 PolarHBondContact O-N 3.13Å; E169-V173 HydrophobicContact CB-CB 4.29Å; E169-V173 HydrophobicContact CB-CG1 4.13Å; E169-V173 HydrophobicContact CG-CG1 4.34Å; E169-Q174 HydrophobicContact CB-CG 4.17Å; E169-Q174 PolarHBondContact O-NE2 3.31Å; E169-N177 PolarHBondContact OE2-ND2 3.14Å
170	P	87.3	Confident	67	Low	80 Å²	80	95.2 Å²	95.2	52%	0.519	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-53.1	147.2	175.3	-25.8	33.9	0	0	0	112.3	S172 V173 Q174	P170-S172 PolarHBondContact O-N 3.39Å; P170-S172 VanDerWaalsContact O-N 3.09Å; P170-V173 HydrophobicContact CB-CG2 4.33Å; P170-V173 HydrophobicContact CG-CG2 4.33Å; P170-V173 WeakPolarHBondContact O-CA 3.47Å; P170-V173 WeakPolarHBondContact O-CB 3.32Å; P170-V173 PolarHBondContact O-N 3.35Å; P170-Q174 PolarHBondContact O-N 3.14Å
171	L	85.3	Confident	70.2	Confident	72 Å²	72	91.1 Å²	91.1	38%	0.377	47%	0.473	S	S	.	.	H	α-helix	trans	-54.3	-33.3	178.7	-69.9	177.5	0	0	0	112.9	Q174 I175 A258 L269 V280	L171-Q174 PolarHBondContact O-N 3.5Å; L171-I175 WeakPolarHBondContact O-CG2 3.2Å; L171-I175 PolarHBondContact O-N 3.36Å; L171-A258 HydrophobicContact CD1-CB 3.92Å; L171-A258 HydrophobicContact CD2-CB 3.86Å; L171-L269 HydrophobicContact CD2-CD1 3.92Å; L171-V280 HydrophobicContact CB-CG2 4.42Å; L171-V280 HydrophobicContact CD2-CG2 4.39Å
172	S	85.1	Confident	73.2	Confident	47 Å²	47	82.9 Å²	82.9	33%	0.329	43%	0.434	S	S	.	.	H	α-helix	trans	-61.6	-40.5	174.8	56	0	0	0	0	112.8	P170 I175 A176	P170-S172 PolarHBondContact O-N 3.39Å; P170-S172 VanDerWaalsContact O-N 3.09Å; S172-I175 VanDerWaalsContact O-CG2 3.32Å; S172-I175 WeakPolarHBondContact O-CG2 3.47Å; S172-A176 VanDerWaalsContact O-CB 3.24Å; S172-A176 WeakPolarHBondContact O-CB 3.38Å; S172-A176 PolarHBondContact O-N 2.89Å
173	V	87.1	Confident	76.3	Confident	32 Å²	32	76.4 Å²	76.4	19%	0.194	41%	0.41	C	S	.	.	H	α-helix	trans	-70.9	-45.1	176.4	173.9	0	0	0	0	110.3	E169 P170 I175 A176 N177 W183	E169-V173 HydrophobicContact CB-CB 4.29Å; E169-V173 HydrophobicContact CB-CG1 4.13Å; E169-V173 HydrophobicContact CG-CG1 4.34Å; P170-V173 HydrophobicContact CB-CG2 4.33Å; P170-V173 HydrophobicContact CG-CG2 4.33Å; P170-V173 WeakPolarHBondContact O-CA 3.47Å; P170-V173 WeakPolarHBondContact O-CB 3.32Å; P170-V173 PolarHBondContact O-N 3.35Å; V173-I175 PolarHBondContact O-N 3.38Å; V173-A176 PolarHBondContact O-N 2.94Å; V173-N177 WeakPolarHBondContact O-CB 3.43Å; V173-N177 PolarHBondContact O-N 3.15Å; V173-N177 PolarHBondContact O-ND2 3.49Å; V173-W183 HydrophobicContact CG1-CZ2 4.21Å; V173-W183 HydrophobicContact CG2-CZ2 4.38Å
174	Q	87.4	Confident	79.3	Confident	66 Å²	66	77.8 Å²	77.8	31%	0.308	40%	0.399	S	S	.	.	H	α-helix	trans	-60.1	-45.2	178.9	-63.3	-175.7	40.2	0	0	111.8	E169 P170 L171 N177 A178 L269	E169-Q174 HydrophobicContact CB-CG 4.17Å; E169-Q174 PolarHBondContact O-NE2 3.31Å; P170-Q174 PolarHBondContact O-N 3.14Å; L171-Q174 PolarHBondContact O-N 3.5Å; Q174-N177 PolarHBondContact O-N 2.89Å; Q174-A178 PolarHBondContact O-N 3.49Å; Q174-L269 HydrophobicContact CB-CD2 3.77Å
175	I	89.1	Confident	82.3	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-68.9	-41.7	179.4	-165	65.4	0	0	0	111.7	L171 S172 V173 N177 A178 V179 F267 L269 V280 T285	L171-I175 WeakPolarHBondContact O-CG2 3.2Å; L171-I175 PolarHBondContact O-N 3.36Å; S172-I175 VanDerWaalsContact O-CG2 3.32Å; S172-I175 WeakPolarHBondContact O-CG2 3.47Å; V173-I175 PolarHBondContact O-N 3.38Å; I175-N177 VanDerWaalsContact C-N 3.3Å; I175-N177 PolarHBondContact O-N 3.23Å; I175-A178 WeakPolarHBondContact O-CB 3.33Å; I175-A178 PolarHBondContact O-N 3.42Å; I175-V179 HydrophobicContact CD1-CG1 4.21Å; I175-V179 HydrophobicContact CG1-CG1 4.42Å; I175-V179 VanDerWaalsContact O-CG2 3.27Å; I175-V179 WeakPolarHBondContact O-CG2 3.25Å; I175-V179 PolarHBondContact O-N 3.27Å; I175-F267 HydrophobicContact CD1-CB 3.42Å; I175-F267 VanDerWaalsContact CD1-CB 3.42Å; I175-F267 HydrophobicContact CG1-CB 4.1Å; I175-L269 HydrophobicContact CB-CD2 4.19Å; I175-L269 HydrophobicContact CD1-CD2 4.27Å; I175-V280 HydrophobicContact CB-CB 4.26Å; I175-V280 HydrophobicContact CB-CG1 4.16Å; I175-V280 HydrophobicContact CD1-CB 4.31Å; I175-V280 HydrophobicContact CG1-CB 4.26Å; I175-V280 HydrophobicContact CG1-CG1 4.44Å; I175-V280 HydrophobicContact CG2-CG1 4.06Å; I175-T285 HydrophobicContact CG1-CG2 4.31Å; I175-T285 HydrophobicContact CG2-CG2 4.37Å
176	A	89.8	Confident	85.2	Confident	6 Å²	6	67.7 Å²	67.7	5%	0.05	36%	0.357	C	S	.	.	H	α-helix	trans	-59.5	-42	175.2	0	0	0	0	0	111.3	S172 V173 A178 T180 W183	S172-A176 VanDerWaalsContact O-CB 3.24Å; S172-A176 WeakPolarHBondContact O-CB 3.38Å; S172-A176 PolarHBondContact O-N 2.89Å; V173-A176 PolarHBondContact O-N 2.94Å; A176-A178 VanDerWaalsContact C-N 3.29Å; A176-A178 PolarHBondContact O-N 2.94Å; A176-T180 CarbonylContact O-C 3.59Å; A176-T180 VanDerWaalsContact O-CA 3.27Å; A176-T180 WeakPolarHBondContact O-CA 3.47Å; A176-T180 PolarHBondContact O-N 3.02Å; A176-T180 PolarHBondContact O-OG1 3.19Å; A176-W183 HydrophobicContact CB-CD2 3.87Å; A176-W183 HydrophobicContact CB-CG 3.82Å; A176-W183 HydrophobicContact CB-CZ2 4.38Å
177	N	89.4	Confident	87.9	Confident	57 Å²	57	61.7 Å²	61.7	31%	0.305	33%	0.328	S	S	.	.	H	α-helix	trans	-62.5	-33.5	173.9	-72.7	-19.8	0	0	0	112.7	E169 V173 Q174 I175 P181 W183	E169-N177 PolarHBondContact OE2-ND2 3.14Å; V173-N177 WeakPolarHBondContact O-CB 3.43Å; V173-N177 PolarHBondContact O-N 3.15Å; V173-N177 PolarHBondContact O-ND2 3.49Å; Q174-N177 PolarHBondContact O-N 2.89Å; I175-N177 VanDerWaalsContact C-N 3.3Å; I175-N177 PolarHBondContact O-N 3.23Å; N177-P181 WeakPolarHBondContact O-CB 3.37Å; N177-W183 PolarHBondContact OD1-NE1 2.93Å
178	A	87.9	Confident	90.3	Very high	53 Å²	53	58.6 Å²	58.6	44%	0.438	32%	0.317	S	S	.	.	H	α-helix	trans	-75.2	-42.2	180	0	0	0	0	0	113.2	Q174 I175 A176	Q174-A178 PolarHBondContact O-N 3.49Å; I175-A178 WeakPolarHBondContact O-CB 3.33Å; I175-A178 PolarHBondContact O-N 3.42Å; A176-A178 VanDerWaalsContact C-N 3.29Å; A176-A178 PolarHBondContact O-N 2.94Å
179	V	92	Very high	91.8	Very high	30 Å²	30	54.5 Å²	54.5	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-99.8	-29.9	-172.3	-57.2	0	0	0	0	113.6	I175 F267 T285 H287	I175-V179 HydrophobicContact CD1-CG1 4.21Å; I175-V179 HydrophobicContact CG1-CG1 4.42Å; I175-V179 VanDerWaalsContact O-CG2 3.27Å; I175-V179 WeakPolarHBondContact O-CG2 3.25Å; I175-V179 PolarHBondContact O-N 3.27Å; V179-F267 HydrophobicContact CG1-CB 3.82Å; V179-F267 HydrophobicContact CG1-CD1 4.15Å; V179-F267 HydrophobicContact CG1-CD2 4.04Å; V179-F267 HydrophobicContact CG1-CG 3.75Å; V179-T285 HydrophobicContact CG2-CG2 4.02Å; V179-H287 WeakPolarHBondContact CG2-CE1 3.48Å
180	T	94.8	Very high	92.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.275	C	S	.	.			trans	-137.1	65.3	-176.1	43	0	0	0	0	110.1	A176 L182 W183 H287 Q583 T584	A176-T180 CarbonylContact O-C 3.59Å; A176-T180 VanDerWaalsContact O-CA 3.27Å; A176-T180 WeakPolarHBondContact O-CA 3.47Å; A176-T180 PolarHBondContact O-N 3.02Å; A176-T180 PolarHBondContact O-OG1 3.19Å; T180-L182 PolarHBondContact O-N 3.43Å; T180-W183 VanDerWaalsContact O-CB 3.22Å; T180-W183 WeakPolarHBondContact O-CB 3.42Å; T180-W183 PolarHBondContact O-N 3.28Å; T180-H287 HydrophobicContact CG2-CB 3.88Å; T180-H287 WeakPolarHBondContact CG2-ND1 3.45Å; T180-Q583 CarbonylContact C-O 3.54Å; T180-Q583 WeakPolarHBondContact CA-O 3.49Å; T180-Q583 HydrophobicContact CG2-CB 3.79Å; T180-T584 HydrophobicContact CG2-CG2 4.5Å
181	P	95	Very high	93.2	Very high	47 Å²	47	46.9 Å²	46.9	31%	0.305	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-6.8	-169.3	25.2	-37.3	0	0	0	116.5	N177 K585	N177-P181 WeakPolarHBondContact O-CB 3.37Å; P181-K585 HydrophobicContact CG-CG 4.31Å
182	L	96.6	Very high	93.8	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.058	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	12.1	174.9	-54.2	-177.3	0	0	0	112.7	T180 N184 V185 Q190 Q583 T584 K585	T180-L182 PolarHBondContact O-N 3.43Å; L182-N184 PolarHBondContact O-N 3.45Å; L182-N184 VanDerWaalsContact O-N 3.1Å; L182-V185 HydrophobicContact CB-CB 4.35Å; L182-V185 HydrophobicContact CB-CG2 4.33Å; L182-V185 HydrophobicContact CD2-CG2 4.28Å; L182-V185 WeakPolarHBondContact O-CB 3.29Å; L182-V185 PolarHBondContact O-N 3.21Å; L182-Q190 HydrophobicContact CB-CG 3.99Å; L182-Q190 HydrophobicContact CD1-CB 4.18Å; L182-Q190 HydrophobicContact CD1-CG 4.19Å; L182-Q190 PolarHBondContact O-NE2 3.04Å; L182-Q190 VanDerWaalsContact O-NE2 3.09Å; L182-Q583 PolarHBondContact N-O 3.05Å; L182-T584 VanDerWaalsContact CD1-O 3.27Å; L182-T584 WeakPolarHBondContact CD1-O 3.38Å; L182-K585 HydrophobicContact CD1-CG 4.32Å; L182-K585 HydrophobicContact CD2-CG 4.32Å; L182-K585 HydrophobicContact CG-CG 4.26Å
183	W	95.1	Very high	94.4	Very high	96 Å²	96	51.8 Å²	51.8	36%	0.364	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.5	-174.7	71.1	-84.2	0	0	0	114.7	V173 A176 N177 T180 Q583	V173-W183 HydrophobicContact CG1-CZ2 4.21Å; V173-W183 HydrophobicContact CG2-CZ2 4.38Å; A176-W183 HydrophobicContact CB-CD2 3.87Å; A176-W183 HydrophobicContact CB-CG 3.82Å; A176-W183 HydrophobicContact CB-CZ2 4.38Å; N177-W183 PolarHBondContact OD1-NE1 2.93Å; T180-W183 VanDerWaalsContact O-CB 3.22Å; T180-W183 WeakPolarHBondContact O-CB 3.42Å; T180-W183 PolarHBondContact O-N 3.28Å; W183-Q583 HydrophobicContact CB-CB 4.46Å
184	N	95.1	Very high	94.9	Very high	105 Å²	105	50.3 Å²	50.3	56%	0.561	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	8.4	179.2	65.2	-14.4	0	0	0	113.3	L182	L182-N184 PolarHBondContact O-N 3.45Å; L182-N184 VanDerWaalsContact O-N 3.1Å
185	V	97.3	Very high	95.4	Very high	35 Å²	35	50.1 Å²	50.1	21%	0.212	26%	0.257	C	S	.	.	S	Bend	trans	-100.5	131.8	178.5	-179.9	0	0	0	0	108.7	L182 Y187 E189 Q190 I193	L182-V185 HydrophobicContact CB-CB 4.35Å; L182-V185 HydrophobicContact CB-CG2 4.33Å; L182-V185 HydrophobicContact CD2-CG2 4.28Å; L182-V185 WeakPolarHBondContact O-CB 3.29Å; L182-V185 PolarHBondContact O-N 3.21Å; V185-Y187 PolarHBondContact O-N 3.13Å; V185-E189 HydrophobicContact CG1-CB 3.83Å; V185-E189 HydrophobicContact CG1-CG 3.9Å; V185-Q190 HydrophobicContact CB-CG 3.97Å; V185-Q190 HydrophobicContact CG1-CG 3.9Å; V185-Q190 PolarHBondContact O-NE2 2.94Å; V185-I193 HydrophobicContact CG1-CD1 4.29Å
186	P	98.1	Very high	95.8	Very high	88 Å²	88	54.8 Å²	54.8	57%	0.571	28%	0.279	S	S	*	.			trans	-52.7	138.8	173.9	-26.9	35.3	0	0	0	111.8	E188 E189 Q190	P186-E188 VanDerWaalsContact C-N 3.3Å; P186-E188 PolarHBondContact O-N 3.47Å; P186-E189 WeakPolarHBondContact O-CA 3.48Å; P186-E189 WeakPolarHBondContact O-CB 3.19Å; P186-E189 PolarHBondContact O-N 3.23Å; P186-Q190 PolarHBondContact O-N 3.48Å
187	Y	98.3	Very high	96.1	Very high	16 Å²	16	57 Å²	57	6%	0.063	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-39.5	-167.5	-173.9	-118.2	0	0	0	113.3	V185 E189 Q190 L191 P239 S240 Q243 D579 P582	V185-Y187 PolarHBondContact O-N 3.13Å; Y187-E189 PolarHBondContact O-N 3.46Å; Y187-Q190 HydrophobicContact CD2-CB 4.49Å; Y187-Q190 WeakPolarHBondContact O-CA 3.13Å; Y187-Q190 VanDerWaalsContact O-CB 3.29Å; Y187-Q190 WeakPolarHBondContact O-CB 3.32Å; Y187-Q190 PolarHBondContact O-N 3Å; Y187-L191 HydrophobicContact CD1-CD1 4.18Å; Y187-L191 HydrophobicContact CD1-CG 4.44Å; Y187-L191 HydrophobicContact CE1-CD1 3.82Å; Y187-L191 HydrophobicContact CE1-CD2 4.25Å; Y187-L191 HydrophobicContact CE1-CG 4.09Å; Y187-L191 HydrophobicContact CE2-CD2 4.41Å; Y187-L191 PolarHBondContact O-N 3.2Å; Y187-P239 HydrophobicContact CE1-CB 3.82Å; Y187-S240 PolarHBondContact OH-N 2.86Å; Y187-Q243 VanDerWaalsContact CD1-CD 3.42Å; Y187-Q243 HydrophobicContact CD1-CG 4.18Å; Y187-Q243 HydrophobicContact CD2-CG 4.04Å; Y187-Q243 HydrophobicContact CE1-CG 4.01Å; Y187-Q243 HydrophobicContact CE2-CG 3.92Å; Y187-Q243 VanDerWaalsContact CG-CD 3.41Å; Y187-Q243 HydrophobicContact CG-CG 4.19Å; Y187-Q243 VanDerWaalsContact CG-OE1 3.29Å; Y187-D579 WeakPolarHBondContact CE2-OD2 3.49Å; Y187-D579 PolarHBondContact OH-OD2 3.27Å; Y187-P582 HydrophobicContact CE2-CB 4.03Å; Y187-P582 HydrophobicContact CE2-CG 4.33Å
188	E	98.1	Very high	96.5	Very high	123 Å²	123	54.3 Å²	54.3	58%	0.575	27%	0.273	S	S	*	.	H	α-helix	trans	-59.4	-36	175.7	-67.4	71	-160	0	0	111.7	P186 L191 R192	P186-E188 VanDerWaalsContact C-N 3.3Å; P186-E188 PolarHBondContact O-N 3.47Å; E188-L191 PolarHBondContact O-N 3.29Å; E188-R192 WeakPolarHBondContact O-CG 3.47Å; E188-R192 PolarHBondContact O-N 3.48Å; E188-R192 VanDerWaalsContact O-N 3.13Å
189	E	98.3	Very high	97	Very high	75 Å²	75	52.6 Å²	52.6	35%	0.35	26%	0.257	S	S	.	.	H	α-helix	trans	-74	-34.1	175.8	-171.7	58.6	-153.1	0	0	111.4	V185 P186 Y187 L191 R192 I193	V185-E189 HydrophobicContact CG1-CB 3.83Å; V185-E189 HydrophobicContact CG1-CG 3.9Å; P186-E189 WeakPolarHBondContact O-CA 3.48Å; P186-E189 WeakPolarHBondContact O-CB 3.19Å; P186-E189 PolarHBondContact O-N 3.23Å; Y187-E189 PolarHBondContact O-N 3.46Å; E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 3.05Å; E189-R192 PolarHBondContact O-N 2.95Å; E189-R192 WeakPolarHBondContact OE2-CD 3.49Å; E189-R192 IonicContact OE2-CZ 3.5Å; E189-R192 IonicContact OE2-NH1 3.06Å; E189-R192 PolarHBondContact OE2-NH1 3.32Å; E189-I193 HydrophobicContact CG-CD1 4.33Å; E189-I193 VanDerWaalsContact O-CG1 3.28Å; E189-I193 WeakPolarHBondContact O-CG1 3.28Å; E189-I193 PolarHBondContact O-N 3.4Å
190	Q	98.4	Very high	97.3	Very high	1 Å²	1	56 Å²	56	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-43.5	171	-55.2	-178	28.9	0	0	111.7	L182 V185 P186 Y187 I193 K194 Q583	L182-Q190 HydrophobicContact CB-CG 3.99Å; L182-Q190 HydrophobicContact CD1-CB 4.18Å; L182-Q190 HydrophobicContact CD1-CG 4.19Å; L182-Q190 PolarHBondContact O-NE2 3.04Å; L182-Q190 VanDerWaalsContact O-NE2 3.09Å; V185-Q190 HydrophobicContact CB-CG 3.97Å; V185-Q190 HydrophobicContact CG1-CG 3.9Å; V185-Q190 PolarHBondContact O-NE2 2.94Å; P186-Q190 PolarHBondContact O-N 3.48Å; Y187-Q190 HydrophobicContact CD2-CB 4.49Å; Y187-Q190 WeakPolarHBondContact O-CA 3.13Å; Y187-Q190 VanDerWaalsContact O-CB 3.29Å; Y187-Q190 WeakPolarHBondContact O-CB 3.32Å; Y187-Q190 PolarHBondContact O-N 3Å; Q190-I193 PolarHBondContact O-N 2.94Å; Q190-K194 WeakPolarHBondContact O-CG 3.33Å; Q190-K194 PolarHBondContact O-N 3.43Å; Q190-Q583 VanDerWaalsContact OE1-CA 3.3Å
191	L	98.4	Very high	97.4	Very high	24 Å²	24	56.4 Å²	56.4	13%	0.126	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-42.9	177.2	-67.1	179.9	0	0	0	111.3	Y187 E188 E189 K194 E195 I237 P239 D579	Y187-L191 HydrophobicContact CD1-CD1 4.18Å; Y187-L191 HydrophobicContact CD1-CG 4.44Å; Y187-L191 HydrophobicContact CE1-CD1 3.82Å; Y187-L191 HydrophobicContact CE1-CD2 4.25Å; Y187-L191 HydrophobicContact CE1-CG 4.09Å; Y187-L191 HydrophobicContact CE2-CD2 4.41Å; Y187-L191 PolarHBondContact O-N 3.2Å; E188-L191 PolarHBondContact O-N 3.29Å; E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 3.05Å; L191-K194 PolarHBondContact O-N 3.48Å; L191-E195 VanDerWaalsContact O-CB 3.29Å; L191-E195 WeakPolarHBondContact O-CB 3.27Å; L191-E195 PolarHBondContact O-N 2.94Å; L191-I237 HydrophobicContact CB-CG2 3.92Å; L191-I237 HydrophobicContact CD2-CD1 3.92Å; L191-I237 HydrophobicContact CD2-CG1 4.14Å; L191-I237 HydrophobicContact CD2-CG2 4.32Å; L191-P239 HydrophobicContact CD1-CB 4.09Å; L191-D579 HydrophobicContact CD2-CB 3.87Å
192	R	98.3	Very high	97.6	Very high	154 Å²	154	54.2 Å²	54.2	58%	0.581	26%	0.259	S	S	*	.	H	α-helix	trans	-61.9	-43.7	174.8	-70.9	177.3	-168.9	158.2	-1.2	112.6	E188 E189 K194 E195 Q196	E188-R192 WeakPolarHBondContact O-CG 3.47Å; E188-R192 PolarHBondContact O-N 3.48Å; E188-R192 VanDerWaalsContact O-N 3.13Å; E189-R192 PolarHBondContact O-N 2.95Å; E189-R192 WeakPolarHBondContact OE2-CD 3.49Å; E189-R192 IonicContact OE2-CZ 3.5Å; E189-R192 IonicContact OE2-NH1 3.06Å; E189-R192 PolarHBondContact OE2-NH1 3.32Å; R192-K194 VanDerWaalsContact C-N 3.32Å; R192-K194 PolarHBondContact O-N 2.91Å; R192-E195 PolarHBondContact O-N 2.83Å; R192-Q196 WeakPolarHBondContact O-CB 3.17Å; R192-Q196 PolarHBondContact O-N 2.81Å
193	I	97.8	Very high	97.7	Very high	67 Å²	67	56.4 Å²	56.4	34%	0.344	27%	0.269	S	S	.	.	H	α-helix	trans	-58.4	-46.3	176.4	-69.7	164.1	0	0	0	110.3	V185 E189 Q190 E197	V185-I193 HydrophobicContact CG1-CD1 4.29Å; E189-I193 HydrophobicContact CG-CD1 4.33Å; E189-I193 VanDerWaalsContact O-CG1 3.28Å; E189-I193 WeakPolarHBondContact O-CG1 3.28Å; E189-I193 PolarHBondContact O-N 3.4Å; Q190-I193 PolarHBondContact O-N 2.94Å; I193-E197 PolarHBondContact O-N 3.33Å
194	K	97.9	Very high	97.8	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-66.6	-45.4	179.2	-72	171.4	-179.2	177.8	0	111.9	Q190 L191 R192 Q196 E197 V198 I237 D579 F581 T584 H586 V587	Q190-K194 WeakPolarHBondContact O-CG 3.33Å; Q190-K194 PolarHBondContact O-N 3.43Å; L191-K194 PolarHBondContact O-N 3.48Å; R192-K194 VanDerWaalsContact C-N 3.32Å; R192-K194 PolarHBondContact O-N 2.91Å; K194-Q196 VanDerWaalsContact C-N 3.31Å; K194-Q196 PolarHBondContact O-N 3.08Å; K194-E197 WeakPolarHBondContact O-CB 3.35Å; K194-E197 PolarHBondContact O-N 3Å; K194-E197 VanDerWaalsContact O-N 3.16Å; K194-V198 WeakPolarHBondContact O-CG2 3.25Å; K194-V198 PolarHBondContact O-N 3Å; K194-V198 VanDerWaalsContact O-N 3.09Å; K194-I237 HydrophobicContact CB-CD1 3.73Å; K194-I237 HydrophobicContact CD-CD1 4.45Å; K194-D579 IonicContact NZ-OD1 2.82Å; K194-D579 PolarHBondContact NZ-OD1 3.37Å; K194-D579 IonicContact NZ-OD2 2.76Å; K194-D579 PolarHBondContact NZ-OD2 3.03Å; K194-D579 VanDerWaalsContact NZ-OD2 3.09Å; K194-F581 PolarHBondContact NZ-O 3.25Å; K194-T584 WeakPolarHBondContact CE-O 3.31Å; K194-T584 PolarHBondContact NZ-O 2.82Å; K194-T584 VanDerWaalsContact NZ-O 3.09Å; K194-H586 VanDerWaalsContact CE-O 3.29Å; K194-H586 WeakPolarHBondContact CE-O 3.35Å; K194-H586 PolarHBondContact NZ-O 2.82Å; K194-V587 HydrophobicContact CB-CB 4.22Å; K194-V587 HydrophobicContact CB-CG2 4.3Å; K194-V587 HydrophobicContact CD-CB 4.2Å; K194-V587 HydrophobicContact CD-CG2 4.4Å; K194-V587 HydrophobicContact CG-CB 4.24Å
195	E	97.5	Very high	97.9	Very high	63 Å²	63	53.2 Å²	53.2	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-60.6	-41.8	178	-173.5	170	-118.5	0	0	111.3	L191 R192 E197 V198 V199 L234 I237	L191-E195 VanDerWaalsContact O-CB 3.29Å; L191-E195 WeakPolarHBondContact O-CB 3.27Å; L191-E195 PolarHBondContact O-N 2.94Å; R192-E195 PolarHBondContact O-N 2.83Å; E195-E197 VanDerWaalsContact C-N 3.33Å; E195-E197 PolarHBondContact O-N 3.02Å; E195-V198 WeakPolarHBondContact O-CB 3.33Å; E195-V198 PolarHBondContact O-N 2.78Å; E195-V198 VanDerWaalsContact O-N 3.07Å; E195-V199 WeakPolarHBondContact O-CG2 3.48Å; E195-V199 PolarHBondContact O-N 2.78Å; E195-L234 HydrophobicContact CG-CD2 4.05Å; E195-I237 HydrophobicContact CB-CB 4.5Å; E195-I237 HydrophobicContact CB-CG2 4.26Å; E195-I237 PolarHBondContact OE1-N 3.4Å
196	Q	97.3	Very high	97.9	Very high	99 Å²	99	51.6 Å²	51.6	46%	0.463	24%	0.239	S	C	.	.	H	α-helix	trans	-61.3	-39.5	174.9	-175.6	56.2	50.3	0	0	112.2	R192 K194 V198 V199 E200	R192-Q196 WeakPolarHBondContact O-CB 3.17Å; R192-Q196 PolarHBondContact O-N 2.81Å; K194-Q196 VanDerWaalsContact C-N 3.31Å; K194-Q196 PolarHBondContact O-N 3.08Å; Q196-V198 VanDerWaalsContact C-N 3.31Å; Q196-V198 PolarHBondContact O-N 3.35Å; Q196-V199 PolarHBondContact O-N 3.37Å; Q196-E200 WeakPolarHBondContact O-CG 3.32Å; Q196-E200 PolarHBondContact O-N 3.14Å
197	E	96.8	Very high	97.8	Very high	53 Å²	53	54.8 Å²	54.8	25%	0.248	24%	0.244	C	C	.	.	H	α-helix	trans	-61.6	-39.1	172.7	177.1	166	-159.7	0	0	111.8	I193 K194 E195 E200 I201 K548	I193-E197 PolarHBondContact O-N 3.33Å; K194-E197 WeakPolarHBondContact O-CB 3.35Å; K194-E197 PolarHBondContact O-N 3Å; K194-E197 VanDerWaalsContact O-N 3.16Å; E195-E197 VanDerWaalsContact C-N 3.33Å; E195-E197 PolarHBondContact O-N 3.02Å; E197-E200 PolarHBondContact O-N 2.9Å; E197-I201 HydrophobicContact CG-CD1 3.95Å; E197-I201 WeakPolarHBondContact O-CD1 3.24Å; E197-I201 VanDerWaalsContact O-CG1 3.25Å; E197-I201 WeakPolarHBondContact O-CG1 3.13Å; E197-I201 PolarHBondContact O-N 2.77Å; E197-I201 VanDerWaalsContact O-N 3.09Å; E197-K548 WeakPolarHBondContact OE1-CE 3.47Å; E197-K548 IonicContact OE1-NZ 3.14Å; E197-K548 PolarHBondContact OE1-NZ 2.86Å
198	V	97.8	Very high	97.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-43	175.7	-177.3	0	0	0	0	111.4	K194 E195 Q196 E200 I201 L202 L234 A577 V587 I589	K194-V198 WeakPolarHBondContact O-CG2 3.25Å; K194-V198 PolarHBondContact O-N 3Å; K194-V198 VanDerWaalsContact O-N 3.09Å; E195-V198 WeakPolarHBondContact O-CB 3.33Å; E195-V198 PolarHBondContact O-N 2.78Å; E195-V198 VanDerWaalsContact O-N 3.07Å; Q196-V198 VanDerWaalsContact C-N 3.31Å; Q196-V198 PolarHBondContact O-N 3.35Å; V198-E200 VanDerWaalsContact C-N 3.31Å; V198-E200 PolarHBondContact O-N 3.18Å; V198-I201 WeakPolarHBondContact O-CB 2.93Å; V198-I201 PolarHBondContact O-N 3.22Å; V198-I201 VanDerWaalsContact O-N 3.14Å; V198-L202 HydrophobicContact CG1-CD1 4.1Å; V198-L202 HydrophobicContact CG1-CG 4.32Å; V198-L202 WeakPolarHBondContact O-CG 3.47Å; V198-L202 PolarHBondContact O-N 3.32Å; V198-L234 HydrophobicContact CB-CD2 4.34Å; V198-L234 HydrophobicContact CG1-CD1 3.72Å; V198-L234 HydrophobicContact CG1-CD2 4.12Å; V198-A577 HydrophobicContact CG2-CB 3.84Å; V198-V587 HydrophobicContact CG2-CG1 4.12Å; V198-I589 HydrophobicContact CB-CD1 4.22Å; V198-I589 HydrophobicContact CG1-CD1 4.04Å; V198-I589 HydrophobicContact CG1-CG1 4.37Å; V198-I589 HydrophobicContact CG1-CG2 4.46Å; V198-I589 HydrophobicContact CG2-CD1 3.61Å; V198-I589 HydrophobicContact CG2-CG1 3.8Å
199	V	98.3	Very high	97.7	Very high	16 Å²	16	51.3 Å²	51.3	10%	0.097	23%	0.229	C	C	.	.	H	α-helix	trans	-55.3	-47.8	174.7	170.7	0	0	0	0	110.8	E195 Q196 I201 L202 Q203 M230 L234	E195-V199 WeakPolarHBondContact O-CG2 3.48Å; E195-V199 PolarHBondContact O-N 2.78Å; Q196-V199 PolarHBondContact O-N 3.37Å; V199-I201 VanDerWaalsContact C-N 3.32Å; V199-I201 PolarHBondContact O-N 3.38Å; V199-L202 PolarHBondContact O-N 3.19Å; V199-Q203 HydrophobicContact CG1-CG 4.32Å; V199-Q203 WeakPolarHBondContact O-CB 3.28Å; V199-Q203 VanDerWaalsContact O-CG 3.29Å; V199-Q203 WeakPolarHBondContact O-CG 3.36Å; V199-Q203 PolarHBondContact O-N 3.46Å; V199-M230 HydrophobicContact CB-SD 4.24Å; V199-M230 HydrophobicContact CG1-CG 4.46Å; V199-M230 HydrophobicContact CG1-SD 4.06Å; V199-M230 HydrophobicContact CG2-SD 4.02Å; V199-L234 HydrophobicContact CG2-CD2 3.6Å
200	E	97.9	Very high	97.4	Very high	102 Å²	102	48.4 Å²	48.4	48%	0.477	22%	0.218	S	C	.	.	H	α-helix	trans	-60.6	-40.6	178.1	-72	177.6	-172	0	0	112.5	Q196 E197 V198 Q203 R204	Q196-E200 WeakPolarHBondContact O-CG 3.32Å; Q196-E200 PolarHBondContact O-N 3.14Å; E197-E200 PolarHBondContact O-N 2.9Å; V198-E200 VanDerWaalsContact C-N 3.31Å; V198-E200 PolarHBondContact O-N 3.18Å; E200-Q203 PolarHBondContact O-N 3.43Å; E200-R204 WeakPolarHBondContact O-CB 3.39Å; E200-R204 PolarHBondContact O-N 3.41Å
201	I	97.9	Very high	97.2	Very high	9 Å²	9	51.3 Å²	51.3	5%	0.046	25%	0.249	C	C	.	.	H	α-helix	trans	-63.1	-45.4	177.2	-71.5	165.4	0	0	0	110.6	E197 V198 V199 R204 L205 A547 K548 M551 I589	E197-I201 HydrophobicContact CG-CD1 3.95Å; E197-I201 WeakPolarHBondContact O-CD1 3.24Å; E197-I201 VanDerWaalsContact O-CG1 3.25Å; E197-I201 WeakPolarHBondContact O-CG1 3.13Å; E197-I201 PolarHBondContact O-N 2.77Å; E197-I201 VanDerWaalsContact O-N 3.09Å; V198-I201 WeakPolarHBondContact O-CB 2.93Å; V198-I201 PolarHBondContact O-N 3.22Å; V198-I201 VanDerWaalsContact O-N 3.14Å; V199-I201 VanDerWaalsContact C-N 3.32Å; V199-I201 PolarHBondContact O-N 3.38Å; I201-R204 PolarHBondContact O-N 2.96Å; I201-L205 WeakPolarHBondContact O-CB 3.27Å; I201-L205 PolarHBondContact O-N 2.99Å; I201-A547 HydrophobicContact CD1-CB 4.01Å; I201-A547 HydrophobicContact CG2-CB 3.9Å; I201-K548 HydrophobicContact CD1-CG 4.26Å; I201-K548 HydrophobicContact CG1-CG 4.25Å; I201-M551 HydrophobicContact CG2-CE 3.88Å; I201-I589 HydrophobicContact CD1-CD1 3.82Å
202	L	98.4	Very high	96.9	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-68.8	-38	179.4	-64.4	175.8	0	0	0	112.5	V198 V199 L205 A206 M230 L234 A575 L591	V198-L202 HydrophobicContact CG1-CD1 4.1Å; V198-L202 HydrophobicContact CG1-CG 4.32Å; V198-L202 WeakPolarHBondContact O-CG 3.47Å; V198-L202 PolarHBondContact O-N 3.32Å; V199-L202 PolarHBondContact O-N 3.19Å; L202-L205 PolarHBondContact O-N 3.03Å; L202-A206 WeakPolarHBondContact O-CB 3.35Å; L202-A206 PolarHBondContact O-N 3.33Å; L202-M230 HydrophobicContact CB-CB 3.93Å; L202-M230 HydrophobicContact CB-CG 3.83Å; L202-M230 HydrophobicContact CB-SD 4Å; L202-M230 HydrophobicContact CD1-SD 3.73Å; L202-L234 HydrophobicContact CD1-CB 4.06Å; L202-L234 HydrophobicContact CD1-CD1 4.2Å; L202-L234 HydrophobicContact CD1-CD2 4.41Å; L202-L234 HydrophobicContact CD1-CG 4.46Å; L202-A575 HydrophobicContact CD1-CB 3.64Å; L202-A575 HydrophobicContact CD2-CB 3.85Å; L202-A575 HydrophobicContact CG-CB 4.37Å; L202-L591 HydrophobicContact CD2-CD2 3.78Å
203	Q	98.2	Very high	96.7	Very high	57 Å²	57	45 Å²	45	27%	0.266	23%	0.229	S	C	.	.	H	α-helix	trans	-63.9	-41.2	173.2	-72.9	177.8	-7.9	0	0	111.6	V199 E200 A206 K207 N228 K229 M230	V199-Q203 HydrophobicContact CG1-CG 4.32Å; V199-Q203 WeakPolarHBondContact O-CB 3.28Å; V199-Q203 VanDerWaalsContact O-CG 3.29Å; V199-Q203 WeakPolarHBondContact O-CG 3.36Å; V199-Q203 PolarHBondContact O-N 3.46Å; E200-Q203 PolarHBondContact O-N 3.43Å; Q203-A206 WeakPolarHBondContact O-CB 3.4Å; Q203-A206 PolarHBondContact O-N 3.27Å; Q203-K207 PolarHBondContact O-N 3.23Å; Q203-K207 VanDerWaalsContact O-N 3.13Å; Q203-N228 PolarHBondContact NE2-O 3.1Å; Q203-K229 HydrophobicContact CG-CB 4.19Å; Q203-M230 HydrophobicContact CG-CG 3.87Å
204	R	97.9	Very high	96.5	Very high	134 Å²	134	49.8 Å²	49.8	51%	0.506	25%	0.247	S	C	.	.	H	α-helix	trans	-63.6	-48.4	174.1	-177.8	174.7	179.8	-176.8	-1	110.9	E200 I201 A206 K207 E208 M551	E200-R204 WeakPolarHBondContact O-CB 3.39Å; E200-R204 PolarHBondContact O-N 3.41Å; I201-R204 PolarHBondContact O-N 2.96Å; R204-A206 VanDerWaalsContact C-N 3.28Å; R204-A206 PolarHBondContact O-N 3.07Å; R204-K207 WeakPolarHBondContact O-CB 3.29Å; R204-K207 PolarHBondContact O-N 3.2Å; R204-K207 VanDerWaalsContact O-N 3.09Å; R204-E208 HydrophobicContact CG-CG 4.36Å; R204-E208 WeakPolarHBondContact O-CG 3.3Å; R204-E208 PolarHBondContact O-N 2.86Å; R204-M551 HydrophobicContact CB-CE 4.31Å; R204-M551 HydrophobicContact CG-CE 4.25Å
205	L	97.9	Very high	96.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.5	-43.9	177	178.6	56.5	0	0	0	111.2	I201 L202 K207 E208 I209 M551 F554 I555 P572	I201-L205 WeakPolarHBondContact O-CB 3.27Å; I201-L205 PolarHBondContact O-N 2.99Å; L202-L205 PolarHBondContact O-N 3.03Å; L205-K207 VanDerWaalsContact C-N 3.34Å; L205-K207 PolarHBondContact O-N 3.1Å; L205-E208 PolarHBondContact O-N 3.01Å; L205-I209 HydrophobicContact CD1-CD1 3.95Å; L205-I209 HydrophobicContact CD1-CG1 3.98Å; L205-I209 HydrophobicContact CG-CD1 3.84Å; L205-I209 HydrophobicContact CG-CG1 4.34Å; L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.29Å; L205-I209 PolarHBondContact O-N 3.13Å; L205-M551 HydrophobicContact CB-CE 4.22Å; L205-M551 HydrophobicContact CB-SD 3.97Å; L205-M551 HydrophobicContact CD1-SD 3.95Å; L205-F554 HydrophobicContact CD1-CB 3.57Å; L205-F554 HydrophobicContact CD2-CB 3.95Å; L205-F554 HydrophobicContact CD2-CD2 4.27Å; L205-F554 HydrophobicContact CD2-CG 4.38Å; L205-F554 HydrophobicContact CG-CB 4.42Å; L205-I555 HydrophobicContact CD1-CG1 4.17Å; L205-P572 HydrophobicContact CD2-CG 4.48Å
206	A	97.4	Very high	96	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-54.8	-48.6	174.8	0	0	0	0	0	112	L202 Q203 R204 E208 I209 G210 L220 K224 C231	L202-A206 WeakPolarHBondContact O-CB 3.35Å; L202-A206 PolarHBondContact O-N 3.33Å; Q203-A206 WeakPolarHBondContact O-CB 3.4Å; Q203-A206 PolarHBondContact O-N 3.27Å; R204-A206 VanDerWaalsContact C-N 3.28Å; R204-A206 PolarHBondContact O-N 3.07Å; A206-E208 PolarHBondContact O-N 3.17Å; A206-I209 PolarHBondContact O-N 3.33Å; A206-G210 PolarHBondContact O-N 3.09Å; A206-L220 HydrophobicContact CB-CD1 4Å; A206-L220 WeakPolarHBondContact O-CD2 3.34Å; A206-K224 HydrophobicContact CB-CD 4.3Å; A206-K224 HydrophobicContact CB-CG 4.27Å; A206-C231 HydrophobicContact CB-CB 3.81Å
207	K	96.1	Very high	95.8	Very high	155 Å²	155	48.3 Å²	48.3	67%	0.674	25%	0.254	S	S	*	.	H	α-helix	trans	-59.5	-45.6	177.6	-176.3	-177.7	175.8	-177	0	112.1	Q203 R204 L205 G210 G211	Q203-K207 PolarHBondContact O-N 3.23Å; Q203-K207 VanDerWaalsContact O-N 3.13Å; R204-K207 WeakPolarHBondContact O-CB 3.29Å; R204-K207 PolarHBondContact O-N 3.2Å; R204-K207 VanDerWaalsContact O-N 3.09Å; L205-K207 VanDerWaalsContact C-N 3.34Å; L205-K207 PolarHBondContact O-N 3.1Å; K207-G210 PolarHBondContact O-N 2.84Å; K207-G211 PolarHBondContact O-N 3.28Å
208	E	96.9	Very high	95.7	Very high	67 Å²	67	50.4 Å²	50.4	31%	0.313	27%	0.272	S	S	.	.	H	α-helix	trans	-68.9	-36.5	-177.4	-62.5	-65.3	161.7	0	0	112.5	R204 L205 A206 G210 G211 T212 I555	R204-E208 HydrophobicContact CG-CG 4.36Å; R204-E208 WeakPolarHBondContact O-CG 3.3Å; R204-E208 PolarHBondContact O-N 2.86Å; L205-E208 PolarHBondContact O-N 3.01Å; A206-E208 PolarHBondContact O-N 3.17Å; E208-G210 PolarHBondContact O-N 3.14Å; E208-G211 PolarHBondContact O-N 2.8Å; E208-T212 WeakPolarHBondContact O-CG2 3.4Å; E208-T212 PolarHBondContact O-N 2.94Å; E208-T212 VanDerWaalsContact O-N 3.08Å; E208-T212 PolarHBondContact O-OG1 2.93Å; E208-I555 HydrophobicContact CB-CD1 3.59Å; E208-I555 HydrophobicContact CB-CG1 3.7Å; E208-I555 HydrophobicContact CG-CD1 3.8Å; E208-I555 HydrophobicContact CG-CG1 4.41Å
209	I	95.9	Very high	95.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.6	-47.2	172.6	-68.7	169.6	0	0	0	110.1	L205 A206 G211 T212 N213 M216 C231 C558 P572	L205-I209 HydrophobicContact CD1-CD1 3.95Å; L205-I209 HydrophobicContact CD1-CG1 3.98Å; L205-I209 HydrophobicContact CG-CD1 3.84Å; L205-I209 HydrophobicContact CG-CG1 4.34Å; L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.29Å; L205-I209 PolarHBondContact O-N 3.13Å; A206-I209 PolarHBondContact O-N 3.33Å; I209-G211 PolarHBondContact O-N 2.81Å; I209-T212 PolarHBondContact O-N 2.76Å; I209-T212 VanDerWaalsContact O-N 3.11Å; I209-T212 PolarHBondContact O-OG1 3.05Å; I209-N213 PolarHBondContact O-N 3.32Å; I209-M216 HydrophobicContact CG2-CB 4.37Å; I209-M216 HydrophobicContact CG2-CE 4.11Å; I209-M216 HydrophobicContact CG2-SD 4.19Å; I209-C231 HydrophobicContact CD1-CB 4.35Å; I209-C558 HydrophobicContact CD1-CB 4.08Å; I209-C558 HydrophobicContact CG1-CB 3.76Å; I209-C558 HydrophobicContact CG2-CB 4.38Å; I209-P572 HydrophobicContact CD1-CG 4Å
210	G	93.1	Very high	95.4	Very high	13 Å²	13	52 Å²	52	13%	0.134	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-31.9	179.2	0	0	0	0	0	113.8	A206 K207 E208	A206-G210 PolarHBondContact O-N 3.09Å; K207-G210 PolarHBondContact O-N 2.84Å; E208-G210 PolarHBondContact O-N 3.14Å
211	G	93.1	Very high	95.2	Very high	63 Å²	63	53.5 Å²	53.5	65%	0.649	28%	0.282	S	S	*	.	H	α-helix	trans	-75.3	-30.4	175.2	0	0	0	0	0	114	K207 E208 I209	K207-G211 PolarHBondContact O-N 3.28Å; E208-G211 PolarHBondContact O-N 2.8Å; I209-G211 PolarHBondContact O-N 2.81Å
212	T	92.9	Very high	95.1	Very high	45 Å²	45	55.4 Å²	55.4	28%	0.276	30%	0.299	S	S	.	.	H	α-helix	trans	-103.2	-16.1	-172.3	55.3	0	0	0	0	114.4	E208 I209 I555 A560	E208-T212 WeakPolarHBondContact O-CG2 3.4Å; E208-T212 PolarHBondContact O-N 2.94Å; E208-T212 VanDerWaalsContact O-N 3.08Å; E208-T212 PolarHBondContact O-OG1 2.93Å; I209-T212 PolarHBondContact O-N 2.76Å; I209-T212 VanDerWaalsContact O-N 3.11Å; I209-T212 PolarHBondContact O-OG1 3.05Å; T212-I555 HydrophobicContact CG2-CG2 3.77Å; T212-A560 PolarHBondContact O-N 2.81Å
213	N	94	Very high	95	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	31%	0.305	C	S	.	.			trans	-142.8	87.4	178.1	-168.7	-16.1	0	0	0	111.2	I209 A215 M216 C558 A560	I209-N213 PolarHBondContact O-N 3.32Å; N213-A215 PolarHBondContact O-N 2.85Å; N213-A215 PolarHBondContact OD1-N 2.82Å; N213-M216 HydrophobicContact CB-CB 4.44Å; N213-M216 HydrophobicContact CB-CG 4.35Å; N213-M216 HydrophobicContact CB-SD 4.23Å; N213-M216 WeakPolarHBondContact ND2-CG 3.48Å; N213-M216 PolarHBondContact ND2-SD 3.2Å; N213-M216 PolarHBondContact O-N 3.31Å; N213-M216 VanDerWaalsContact O-N 3.11Å; N213-C558 WeakPolarHBondContact CB-O 3.36Å; N213-C558 PolarHBondContact ND2-O 2.94Å; N213-A560 HydrophobicContact CB-CB 4.26Å
214	K	93	Very high	94.9	Very high	167 Å²	167	57.3 Å²	57.3	73%	0.726	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-61.8	-28.9	-179.4	-67.7	-173.1	178.6	-177.8	0	113.4	M216 L217	K214-M216 PolarHBondContact O-N 3Å; K214-L217 HydrophobicContact CB-CD1 4.13Å; K214-L217 HydrophobicContact CG-CD1 4.31Å; K214-L217 VanDerWaalsContact O-CB 3.3Å; K214-L217 WeakPolarHBondContact O-CB 3.42Å; K214-L217 VanDerWaalsContact O-CG 3.31Å; K214-L217 WeakPolarHBondContact O-CG 3.14Å; K214-L217 PolarHBondContact O-N 2.81Å; K214-L217 VanDerWaalsContact O-N 3.12Å
215	A	91.8	Very high	94.7	Very high	72 Å²	72	54.3 Å²	54.3	60%	0.595	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-66.1	-23.7	178.2	0	0	0	0	0	112.6	N213 L217	N213-A215 PolarHBondContact O-N 2.85Å; N213-A215 PolarHBondContact OD1-N 2.82Å; A215-L217 VanDerWaalsContact C-N 3.34Å
216	M	93.1	Very high	94.7	Very high	8 Å²	8	61.4 Å²	61.4	4%	0.039	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-85.2	-3.3	176	-70.1	-179.5	68.1	0	0	113.6	I209 N213 K214 W219 L220 P569 R571	I209-M216 HydrophobicContact CG2-CB 4.37Å; I209-M216 HydrophobicContact CG2-CE 4.11Å; I209-M216 HydrophobicContact CG2-SD 4.19Å; N213-M216 HydrophobicContact CB-CB 4.44Å; N213-M216 HydrophobicContact CB-CG 4.35Å; N213-M216 HydrophobicContact CB-SD 4.23Å; N213-M216 WeakPolarHBondContact ND2-CG 3.48Å; N213-M216 PolarHBondContact ND2-SD 3.2Å; N213-M216 PolarHBondContact O-N 3.31Å; N213-M216 VanDerWaalsContact O-N 3.11Å; K214-M216 PolarHBondContact O-N 3Å; M216-W219 HydrophobicContact CB-CE3 4.44Å; M216-W219 HydrophobicContact CE-CD2 4.46Å; M216-W219 HydrophobicContact CE-CE3 3.59Å; M216-W219 HydrophobicContact CE-CH2 4.24Å; M216-W219 HydrophobicContact CE-CZ3 3.46Å; M216-W219 VanDerWaalsContact CE-CZ3 3.46Å; M216-W219 PolarHBondContact O-N 3.15Å; M216-L220 VanDerWaalsContact O-CB 3.26Å; M216-L220 WeakPolarHBondContact O-CB 3.34Å; M216-L220 PolarHBondContact O-N 2.92Å; M216-P569 HydrophobicContact SD-CB 4.48Å; M216-P569 HydrophobicContact SD-CG 4.45Å; M216-R571 HydrophobicContact CE-CB 3.44Å; M216-R571 VanDerWaalsContact CE-CB 3.44Å
217	L	93.9	Very high	94.7	Very high	52 Å²	52	64.3 Å²	64.3	27%	0.272	36%	0.361	S	S	.	.	H	α-helix	trans	-56.9	-45.5	-177.1	-74.5	170.8	0	0	0	113.6	K214 A215 W219 L220 F221	K214-L217 HydrophobicContact CB-CD1 4.13Å; K214-L217 HydrophobicContact CG-CD1 4.31Å; K214-L217 VanDerWaalsContact O-CB 3.3Å; K214-L217 WeakPolarHBondContact O-CB 3.42Å; K214-L217 VanDerWaalsContact O-CG 3.31Å; K214-L217 WeakPolarHBondContact O-CG 3.14Å; K214-L217 PolarHBondContact O-N 2.81Å; K214-L217 VanDerWaalsContact O-N 3.12Å; A215-L217 VanDerWaalsContact C-N 3.34Å; L217-W219 PolarHBondContact O-N 3.45Å; L217-L220 PolarHBondContact O-N 2.86Å; L217-F221 HydrophobicContact CB-CD2 4.28Å; L217-F221 HydrophobicContact CB-CE2 3.98Å; L217-F221 HydrophobicContact CD2-CE2 4.31Å; L217-F221 HydrophobicContact CD2-CZ 4.43Å; L217-F221 WeakPolarHBondContact O-CD2 3.34Å; L217-F221 WeakPolarHBondContact O-CG 3.29Å; L217-F221 PolarHBondContact O-N 2.85Å
218	P	94.3	Very high	94.6	Very high	97 Å²	97	62 Å²	62	63%	0.63	36%	0.356	S	S	*	.	H	α-helix	trans	-58.8	-47.8	178.4	-25	35.5	0	0	0	112.6	L220 F221 A222	P218-L220 PolarHBondContact O-N 3.09Å; P218-F221 PolarHBondContact O-N 2.6Å; P218-A222 PolarHBondContact O-N 2.82Å
219	W	94.5	Very high	94.6	Very high	43 Å²	43	65.2 Å²	65.2	16%	0.163	37%	0.369	C	S	.	.	H	α-helix	trans	-60.3	-46.1	175.2	168.9	82	0	0	0	111.4	M216 L217 F221 A222 Q223 C231 R571 P572	M216-W219 HydrophobicContact CB-CE3 4.44Å; M216-W219 HydrophobicContact CE-CD2 4.46Å; M216-W219 HydrophobicContact CE-CE3 3.59Å; M216-W219 HydrophobicContact CE-CH2 4.24Å; M216-W219 HydrophobicContact CE-CZ3 3.46Å; M216-W219 VanDerWaalsContact CE-CZ3 3.46Å; M216-W219 PolarHBondContact O-N 3.15Å; L217-W219 PolarHBondContact O-N 3.45Å; W219-F221 PolarHBondContact O-N 3.09Å; W219-A222 WeakPolarHBondContact O-CB 3.16Å; W219-A222 PolarHBondContact O-N 2.81Å; W219-Q223 HydrophobicContact CD2-CG 3.94Å; W219-Q223 VanDerWaalsContact CE2-CG 3.47Å; W219-Q223 HydrophobicContact CE3-CG 4.39Å; W219-Q223 HydrophobicContact CG-CG 4.47Å; W219-Q223 HydrophobicContact CH2-CG 4.03Å; W219-Q223 HydrophobicContact CZ2-CG 3.55Å; W219-Q223 HydrophobicContact CZ3-CG 4.43Å; W219-Q223 WeakPolarHBondContact O-CG 3.21Å; W219-Q223 PolarHBondContact O-N 2.89Å; W219-C231 VanDerWaalsContact CH2-O 3.3Å; W219-C231 WeakPolarHBondContact CH2-O 3.48Å; W219-R571 HydrophobicContact CH2-CB 3.84Å; W219-R571 HydrophobicContact CZ2-CB 3.99Å; W219-R571 HydrophobicContact CZ2-CG 4.17Å; W219-R571 HydrophobicContact CZ3-CB 4.26Å; W219-P572 HydrophobicContact CH2-CG 4.19Å; W219-P572 WeakPolarHBondContact CZ2-O 2.89Å
220	L	94.6	Very high	94.7	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.031	37%	0.372	C	S	.	.	H	α-helix	trans	-65.9	-38.4	-177.4	-173.9	72.8	0	0	0	112.1	A206 M216 L217 P218 A222 Q223 K224 C231	A206-L220 HydrophobicContact CB-CD1 4Å; A206-L220 WeakPolarHBondContact O-CD2 3.34Å; M216-L220 VanDerWaalsContact O-CB 3.26Å; M216-L220 WeakPolarHBondContact O-CB 3.34Å; M216-L220 PolarHBondContact O-N 2.92Å; L217-L220 PolarHBondContact O-N 2.86Å; P218-L220 PolarHBondContact O-N 3.09Å; L220-A222 VanDerWaalsContact C-N 3.31Å; L220-A222 PolarHBondContact O-N 3.43Å; L220-Q223 PolarHBondContact O-N 3.36Å; L220-K224 HydrophobicContact CD1-CG 4.48Å; L220-K224 HydrophobicContact CD2-CD 4.37Å; L220-K224 HydrophobicContact CG-CD 4.02Å; L220-K224 HydrophobicContact CG-CG 4.28Å; L220-K224 WeakPolarHBondContact O-CB 3.42Å; L220-K224 VanDerWaalsContact O-CG 3.23Å; L220-K224 WeakPolarHBondContact O-CG 3.43Å; L220-K224 PolarHBondContact O-N 2.96Å; L220-C231 HydrophobicContact CD1-CB 4.09Å
221	F	95.4	Very high	94.8	Very high	134 Å²	134	65.3 Å²	65.3	59%	0.588	37%	0.366	S	S	*	.	H	α-helix	trans	-60.9	-42.6	174.3	-76.3	-56	0	0	0	111.3	L217 P218 W219 K224 G225	L217-F221 HydrophobicContact CB-CD2 4.28Å; L217-F221 HydrophobicContact CB-CE2 3.98Å; L217-F221 HydrophobicContact CD2-CE2 4.31Å; L217-F221 HydrophobicContact CD2-CZ 4.43Å; L217-F221 WeakPolarHBondContact O-CD2 3.34Å; L217-F221 WeakPolarHBondContact O-CG 3.29Å; L217-F221 PolarHBondContact O-N 2.85Å; P218-F221 PolarHBondContact O-N 2.6Å; W219-F221 PolarHBondContact O-N 3.09Å; F221-K224 PolarHBondContact O-N 3.5Å; F221-G225 PolarHBondContact O-N 2.9Å
222	A	95.8	Very high	95	Very high	49 Å²	49	62.3 Å²	62.3	41%	0.405	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-43.5	174.4	0	0	0	0	0	112.1	P218 W219 L220 K226	P218-A222 PolarHBondContact O-N 2.82Å; W219-A222 WeakPolarHBondContact O-CB 3.16Å; W219-A222 PolarHBondContact O-N 2.81Å; L220-A222 VanDerWaalsContact C-N 3.31Å; L220-A222 PolarHBondContact O-N 3.43Å; A222-K226 WeakPolarHBondContact O-CG 3.29Å; A222-K226 PolarHBondContact O-N 3.39Å
223	Q	96.4	Very high	95.3	Very high	30 Å²	30	62.1 Å²	62.1	14%	0.14	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-48.4	176	-65	-59.2	-56.9	0	0	111.8	W219 L220 G225 K226 F227 M230 C231	W219-Q223 HydrophobicContact CD2-CG 3.94Å; W219-Q223 VanDerWaalsContact CE2-CG 3.47Å; W219-Q223 HydrophobicContact CE3-CG 4.39Å; W219-Q223 HydrophobicContact CG-CG 4.47Å; W219-Q223 HydrophobicContact CH2-CG 4.03Å; W219-Q223 HydrophobicContact CZ2-CG 3.55Å; W219-Q223 HydrophobicContact CZ3-CG 4.43Å; W219-Q223 WeakPolarHBondContact O-CG 3.21Å; W219-Q223 PolarHBondContact O-N 2.89Å; L220-Q223 PolarHBondContact O-N 3.36Å; Q223-G225 VanDerWaalsContact C-N 3.28Å; Q223-G225 PolarHBondContact O-N 3.43Å; Q223-K226 PolarHBondContact O-N 3.17Å; Q223-F227 HydrophobicContact CB-CD2 4.39Å; Q223-F227 WeakPolarHBondContact O-CD2 3.38Å; Q223-F227 PolarHBondContact O-N 3.44Å; Q223-M230 CarbonylContact C-O 3.5Å; Q223-C231 WeakPolarHBondContact CG-O 3.34Å
224	K	95.4	Very high	95.5	Very high	68 Å²	68	63.8 Å²	63.8	30%	0.296	34%	0.343	S	S	.	.	H	α-helix	trans	-62.1	-35.4	-178.8	-73.4	-179.6	69.1	-179.9	0	112.8	A206 L220 F221 K229 M230	A206-K224 HydrophobicContact CB-CD 4.3Å; A206-K224 HydrophobicContact CB-CG 4.27Å; L220-K224 HydrophobicContact CD1-CG 4.48Å; L220-K224 HydrophobicContact CD2-CD 4.37Å; L220-K224 HydrophobicContact CG-CD 4.02Å; L220-K224 HydrophobicContact CG-CG 4.28Å; L220-K224 WeakPolarHBondContact O-CB 3.42Å; L220-K224 VanDerWaalsContact O-CG 3.23Å; L220-K224 WeakPolarHBondContact O-CG 3.43Å; L220-K224 PolarHBondContact O-N 2.96Å; F221-K224 PolarHBondContact O-N 3.5Å; K224-K229 WeakPolarHBondContact O-CA 3.36Å; K224-K229 PolarHBondContact O-N 3.33Å; K224-M230 PolarHBondContact N-O 2.86Å
225	G	94.4	Very high	95.7	Very high	70 Å²	70	58.7 Å²	58.7	72%	0.722	32%	0.322	S	S	*	.	H	α-helix	trans	-67.4	-36.9	174.5	0	0	0	0	0	112.7	F221 Q223	F221-G225 PolarHBondContact O-N 2.9Å; Q223-G225 VanDerWaalsContact C-N 3.28Å; Q223-G225 PolarHBondContact O-N 3.43Å
226	K	96.7	Very high	95.9	Very high	150 Å²	150	58.6 Å²	58.6	65%	0.652	32%	0.321	S	S	*	.	H	α-helix	trans	-81.1	-36.9	-178.8	-69.2	178.1	-178.4	-172.5	0	113.7	A222 Q223	A222-K226 WeakPolarHBondContact O-CG 3.29Å; A222-K226 PolarHBondContact O-N 3.39Å; Q223-K226 PolarHBondContact O-N 3.17Å
227	F	96.6	Very high	96.1	Very high	60 Å²	60	59.1 Å²	59.1	26%	0.263	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	49.5	-165.7	-55.4	-58.8	0	0	0	112.3	Q223 K229 M230 P233	Q223-F227 HydrophobicContact CB-CD2 4.39Å; Q223-F227 WeakPolarHBondContact O-CD2 3.38Å; Q223-F227 PolarHBondContact O-N 3.44Å; F227-K229 VanDerWaalsContact C-N 3.33Å; F227-K229 PolarHBondContact O-N 3.47Å; F227-K229 VanDerWaalsContact O-N 3.16Å; F227-M230 HydrophobicContact CB-CB 4.26Å; F227-M230 HydrophobicContact CB-CE 4.2Å; F227-M230 WeakPolarHBondContact O-CA 3.15Å; F227-M230 WeakPolarHBondContact O-CB 3.49Å; F227-M230 VanDerWaalsContact O-CE 3.23Å; F227-M230 WeakPolarHBondContact O-CE 3.37Å; F227-M230 VanDerWaalsContact O-CG 3.27Å; F227-M230 WeakPolarHBondContact O-CG 3.3Å; F227-M230 PolarHBondContact O-N 3.1Å; F227-P233 HydrophobicContact CD1-CB 3.98Å; F227-P233 HydrophobicContact CE1-CB 3.76Å; F227-P233 HydrophobicContact CE1-CG 4.4Å; F227-P233 HydrophobicContact CZ-CB 4.1Å; F227-P233 HydrophobicContact CZ-CG 4.23Å
228	N	94.6	Very high	96.3	Very high	106 Å²	106	62 Å²	62	57%	0.567	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	52.2	175.3	-171.1	23.6	0	0	0	113.7	Q203 M230	Q203-N228 PolarHBondContact NE2-O 3.1Å; N228-M230 PolarHBondContact O-N 3.15Å; N228-M230 VanDerWaalsContact O-N 3.14Å
229	K	96.7	Very high	96.5	Very high	135 Å²	135	60.5 Å²	60.5	59%	0.587	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	6.5	-178.3	-51.4	170.7	-177.8	169.7	0	115.8	Q203 K224 F227	Q203-K229 HydrophobicContact CG-CB 4.19Å; K224-K229 WeakPolarHBondContact O-CA 3.36Å; K224-K229 PolarHBondContact O-N 3.33Å; F227-K229 VanDerWaalsContact C-N 3.33Å; F227-K229 PolarHBondContact O-N 3.47Å; F227-K229 VanDerWaalsContact O-N 3.16Å
230	M	97.9	Very high	96.7	Very high	15 Å²	15	58.7 Å²	58.7	7%	0.074	32%	0.315	C	S	.	.			trans	-78.9	164.9	173.5	-58.5	-177.2	-69.3	0	0	111.7	V199 L202 Q203 Q223 K224 F227 N228 L234	V199-M230 HydrophobicContact CB-SD 4.24Å; V199-M230 HydrophobicContact CG1-CG 4.46Å; V199-M230 HydrophobicContact CG1-SD 4.06Å; V199-M230 HydrophobicContact CG2-SD 4.02Å; L202-M230 HydrophobicContact CB-CB 3.93Å; L202-M230 HydrophobicContact CB-CG 3.83Å; L202-M230 HydrophobicContact CB-SD 4Å; L202-M230 HydrophobicContact CD1-SD 3.73Å; Q203-M230 HydrophobicContact CG-CG 3.87Å; Q223-M230 CarbonylContact C-O 3.5Å; K224-M230 PolarHBondContact N-O 2.86Å; F227-M230 HydrophobicContact CB-CB 4.26Å; F227-M230 HydrophobicContact CB-CE 4.2Å; F227-M230 WeakPolarHBondContact O-CA 3.15Å; F227-M230 WeakPolarHBondContact O-CB 3.49Å; F227-M230 VanDerWaalsContact O-CE 3.23Å; F227-M230 WeakPolarHBondContact O-CE 3.37Å; F227-M230 VanDerWaalsContact O-CG 3.27Å; F227-M230 WeakPolarHBondContact O-CG 3.3Å; F227-M230 PolarHBondContact O-N 3.1Å; N228-M230 PolarHBondContact O-N 3.15Å; N228-M230 VanDerWaalsContact O-N 3.14Å; M230-L234 HydrophobicContact CE-CB 4.03Å; M230-L234 HydrophobicContact SD-CB 4.19Å; M230-L234 HydrophobicContact SD-CD2 4.46Å
231	C	96.6	Very high	96.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.338	C	S	.	.	S	Bend	trans	-85.4	-13.7	179	54.9	0	0	0	0	114.1	A206 I209 W219 L220 Q223 P572	A206-C231 HydrophobicContact CB-CB 3.81Å; I209-C231 HydrophobicContact CD1-CB 4.35Å; W219-C231 VanDerWaalsContact CH2-O 3.3Å; W219-C231 WeakPolarHBondContact CH2-O 3.48Å; L220-C231 HydrophobicContact CD1-CB 4.09Å; Q223-C231 WeakPolarHBondContact CG-O 3.34Å; C231-P572 HydrophobicContact CB-CG 3.74Å; C231-P572 WeakPolarHBondContact SG-CG 3.36Å
232	C	97.5	Very high	96.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-160.1	165.5	-178.7	59.7	0	0	0	0	109.8	P572	C232-P572 HydrophobicContact CB-CB 4.28Å
233	P	97.9	Very high	96.9	Very high	41 Å²	41	60.5 Å²	60.5	27%	0.266	33%	0.329	S	S	.	.			trans	-61.1	141	170.1	25.2	-35.2	0	0	0	111.7	F227 V573 R574 A575	F227-P233 HydrophobicContact CD1-CB 3.98Å; F227-P233 HydrophobicContact CE1-CB 3.76Å; F227-P233 HydrophobicContact CE1-CG 4.4Å; F227-P233 HydrophobicContact CZ-CB 4.1Å; F227-P233 HydrophobicContact CZ-CG 4.23Å; P233-V573 WeakPolarHBondContact CD-O 3.49Å; P233-V573 WeakPolarHBondContact CG-O 3.47Å; P233-R574 HydrophobicContact CG-CB 4.32Å; P233-A575 PolarHBondContact O-N 2.81Å
234	L	98	Very high	96.9	Very high	36 Å²	36	62.3 Å²	62.3	19%	0.188	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-102.8	116	169.2	176.8	58.8	0	0	0	108	E195 V198 V199 L202 M230 A575	E195-L234 HydrophobicContact CG-CD2 4.05Å; V198-L234 HydrophobicContact CB-CD2 4.34Å; V198-L234 HydrophobicContact CG1-CD1 3.72Å; V198-L234 HydrophobicContact CG1-CD2 4.12Å; V199-L234 HydrophobicContact CG2-CD2 3.6Å; L202-L234 HydrophobicContact CD1-CB 4.06Å; L202-L234 HydrophobicContact CD1-CD1 4.2Å; L202-L234 HydrophobicContact CD1-CD2 4.41Å; L202-L234 HydrophobicContact CD1-CG 4.46Å; M230-L234 HydrophobicContact CE-CB 4.03Å; M230-L234 HydrophobicContact SD-CB 4.19Å; M230-L234 HydrophobicContact SD-CD2 4.46Å; L234-A575 CarbonylContact C-O 3.59Å; L234-A575 WeakPolarHBondContact CA-O 3.37Å; L234-A575 HydrophobicContact CD1-CB 4.09Å
235	E	97.2	Very high	97	Very high	61 Å²	61	63.6 Å²	63.6	29%	0.285	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-71.1	152.8	168.5	-65.8	-173.5	-157.9	0	0	110.1	I237 R238 W434 R574 A575 M576	E235-I237 PolarHBondContact O-N 2.95Å; E235-R238 IonicContact OE2-NH2 3.3Å; E235-W434 HydrophobicContact CG-CZ2 4.33Å; E235-W434 WeakPolarHBondContact OE1-CZ2 3.32Å; E235-R574 IonicContact OE1-NH1 2.79Å; E235-A575 PolarHBondContact N-O 3.19Å; E235-M576 HydrophobicContact CB-CB 4.06Å
236	A	96.3	Very high	97.1	Very high	69 Å²	69	61 Å²	61	57%	0.57	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-53.5	135.1	178.7	0	0	0	0	0	111.1	R238	A236-R238 PolarHBondContact O-N 2.8Å
237	I	97.6	Very high	97.1	Very high	19 Å²	19	57.3 Å²	57.3	10%	0.097	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-53.8	131.9	175.5	-176.1	164.9	0	0	0	110.8	L191 K194 E195 E235 A577 V587	L191-I237 HydrophobicContact CB-CG2 3.92Å; L191-I237 HydrophobicContact CD2-CD1 3.92Å; L191-I237 HydrophobicContact CD2-CG1 4.14Å; L191-I237 HydrophobicContact CD2-CG2 4.32Å; K194-I237 HydrophobicContact CB-CD1 3.73Å; K194-I237 HydrophobicContact CD-CD1 4.45Å; E195-I237 HydrophobicContact CB-CB 4.5Å; E195-I237 HydrophobicContact CB-CG2 4.26Å; E195-I237 PolarHBondContact OE1-N 3.4Å; E235-I237 PolarHBondContact O-N 2.95Å; I237-A577 WeakPolarHBondContact CA-O 3.29Å; I237-A577 HydrophobicContact CB-CB 4.17Å; I237-A577 HydrophobicContact CD1-CB 3.96Å; I237-A577 HydrophobicContact CG1-CB 3.8Å; I237-V587 HydrophobicContact CD1-CG2 3.96Å
238	R	98.1	Very high	97.1	Very high	112 Å²	112	55.2 Å²	55.2	42%	0.423	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-86.1	122.6	176.7	-59.3	-65.8	-179.9	157.5	1.2	109.5	E235 A236 V426 M576 A577 V578 D579	E235-R238 IonicContact OE2-NH2 3.3Å; A236-R238 PolarHBondContact O-N 2.8Å; R238-V426 HydrophobicContact CB-CG1 3.72Å; R238-V426 HydrophobicContact CG-CG1 4.17Å; R238-M576 HydrophobicContact CB-CE 4.46Å; R238-M576 HydrophobicContact CG-CE 3.23Å; R238-A577 PolarHBondContact N-O 3.32Å; R238-V578 HydrophobicContact CB-CG1 4.5Å; R238-V578 HydrophobicContact CB-CG2 4.19Å; R238-D579 PolarHBondContact O-N 3.48Å
239	P	98.4	Very high	97.3	Very high	67 Å²	67	52.5 Å²	52.5	44%	0.435	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-68.2	158.1	177.8	29.6	-35	0	0	0	111	Y187 L191	Y187-P239 HydrophobicContact CE1-CB 3.82Å; L191-P239 HydrophobicContact CD1-CB 4.09Å
240	S	98.3	Very high	97.3	Very high	5 Å²	5	46.1 Å²	46.1	4%	0.035	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-71.1	137.2	167.6	-151.1	0	0	0	0	109.9	Y187 T242 N420 D579	Y187-S240 PolarHBondContact OH-N 2.86Å; S240-T242 PolarHBondContact O-N 3.49Å; S240-T242 PolarHBondContact OG-O 3.07Å; S240-N420 PolarHBondContact OG-ND2 3.4Å; S240-D579 WeakPolarHBondContact CB-O 3.49Å; S240-D579 PolarHBondContact OG-O 2.94Å
241	P	97.4	Very high	97.2	Very high	79 Å²	79	50 Å²	50	51%	0.513	26%	0.264	S	S	.	.	S	Bend	trans	-60.7	-31.7	172.7	-25.2	35.8	0	0	0	113.1	V426	P241-V426 HydrophobicContact CG-CG2 3.85Å
242	T	96.3	Very high	97.2	Very high	70 Å²	70	50 Å²	50	43%	0.429	26%	0.264	S	S	.	.			trans	-130.4	127.2	-179.9	-45.9	0	0	0	0	110	S240 T244	S240-T242 PolarHBondContact O-N 3.49Å; S240-T242 PolarHBondContact OG-O 3.07Å; T242-T244 WeakPolarHBondContact CG2-O 2.83Å
243	Q	96.7	Very high	97.1	Very high	77 Å²	77	52.3 Å²	52.3	36%	0.36	28%	0.277	S	S	.	.	S	Bend	trans	-99.3	-17.5	-172.9	-61.6	172.1	25.6	0	0	114.1	Y187 P582 Q583	Y187-Q243 VanDerWaalsContact CD1-CD 3.42Å; Y187-Q243 HydrophobicContact CD1-CG 4.18Å; Y187-Q243 HydrophobicContact CD2-CG 4.04Å; Y187-Q243 HydrophobicContact CE1-CG 4.01Å; Y187-Q243 HydrophobicContact CE2-CG 3.92Å; Y187-Q243 VanDerWaalsContact CG-CD 3.41Å; Y187-Q243 HydrophobicContact CG-CG 4.19Å; Y187-Q243 VanDerWaalsContact CG-OE1 3.29Å; Q243-P582 HydrophobicContact CB-CB 4.23Å; Q243-P582 WeakPolarHBondContact O-CB 3.49Å; Q243-Q583 PolarHBondContact O-NE2 3.33Å
244	T	96.6	Very high	97	Very high	68 Å²	68	50.5 Å²	50.5	42%	0.417	27%	0.265	S	S	.	.	S	Bend	trans	-131.3	155.7	179	56.2	0	0	0	0	109	T242 Y246 C286	T242-T244 WeakPolarHBondContact CG2-O 2.83Å; T244-Y246 PolarHBondContact O-N 2.89Å; T244-C286 CarbonylContact C-O 3.38Å; T244-C286 VanDerWaalsContact CA-O 3.26Å; T244-C286 WeakPolarHBondContact CA-O 3.13Å; T244-C286 VanDerWaalsContact CB-O 3.3Å; T244-C286 WeakPolarHBondContact CB-O 3.38Å; T244-C286 HydrophobicContact CG2-CB 4.2Å
245	E	96.6	Very high	96.7	Very high	96 Å²	96	49.6 Å²	49.6	45%	0.449	26%	0.262	S	S	.	.	S	Bend	trans	54.4	19.8	177.4	-58.5	-163.2	-142.3	0	0	114.5	R247 C286 A290	E245-R247 VanDerWaalsContact C-N 3.32Å; E245-R247 PolarHBondContact O-N 3.03Å; E245-C286 PolarHBondContact N-O 2.97Å; E245-A290 WeakPolarHBondContact OE2-CB 3.48Å; E245-A290 PolarHBondContact OE2-N 3.27Å
246	Y	96.8	Very high	96.4	Very high	15 Å²	15	49.8 Å²	49.8	6%	0.059	27%	0.266	C	S	.	.			trans	-79.1	-19.4	-174.6	67.1	-101.6	0	0	0	112.4	T244 N248 H287 N420 P582	T244-Y246 PolarHBondContact O-N 2.89Å; Y246-N248 PolarHBondContact O-N 3.01Å; Y246-H287 HydrophobicContact CD1-CB 4.47Å; Y246-H287 HydrophobicContact CE1-CB 3.76Å; Y246-H287 PolarHBondContact N-O 2.83Å; Y246-N420 HydrophobicContact CD2-CB 3.62Å; Y246-N420 VanDerWaalsContact CD2-ND2 3.34Å; Y246-N420 WeakPolarHBondContact CD2-ND2 3.36Å; Y246-N420 HydrophobicContact CE2-CB 4.23Å; Y246-N420 HydrophobicContact CG-CB 4.48Å; Y246-P582 HydrophobicContact CD1-CB 4.4Å; Y246-P582 HydrophobicContact CD1-CG 4.29Å; Y246-P582 HydrophobicContact CE1-CB 4Å; Y246-P582 HydrophobicContact CE1-CG 4.17Å; Y246-P582 PolarHBondContact OH-O 2.86Å
247	R	97.3	Very high	96.1	Very high	73 Å²	73	46.7 Å²	46.7	28%	0.275	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-81.2	111.1	-166.5	-164.3	170.6	-175.6	142.8	2.6	110.9	E245 K249 H287 V419	E245-R247 VanDerWaalsContact C-N 3.32Å; E245-R247 PolarHBondContact O-N 3.03Å; R247-K249 WeakPolarHBondContact CD-O 3.43Å; R247-K249 VanDerWaalsContact CG-O 3.3Å; R247-K249 WeakPolarHBondContact CG-O 3.48Å; R247-K249 PolarHBondContact NE-O 3.33Å; R247-H287 WeakPolarHBondContact CB-O 3.28Å; R247-H287 PolarHBondContact N-O 3.36Å; R247-H287 VanDerWaalsContact N-O 3.14Å; R247-V419 CarbonylContact C-O 3.57Å; R247-V419 VanDerWaalsContact CA-O 3.29Å; R247-V419 WeakPolarHBondContact CA-O 3.33Å; R247-V419 HydrophobicContact CG-CB 4.22Å; R247-V419 HydrophobicContact CG-CG2 4.5Å
248	N	97.3	Very high	95.5	Very high	16 Å²	16	47.7 Å²	47.7	9%	0.086	25%	0.252	C	S	.	.	S	Bend	trans	-88.1	-9.2	-177.4	72.8	20.7	0	0	0	113.6	Y246 R326 T327 Q418 V419 T421	Y246-N248 PolarHBondContact O-N 3.01Å; N248-R326 CarbonylContact O-C 3.51Å; N248-R326 WeakPolarHBondContact O-CA 3.49Å; N248-T327 WeakPolarHBondContact CB-O 3.48Å; N248-T327 PolarHBondContact O-N 2.78Å; N248-Q418 PolarHBondContact ND2-O 3.23Å; N248-Q418 PolarHBondContact OD1-O 3.38Å; N248-V419 VanDerWaalsContact CG-O 3.3Å; N248-V419 PolarHBondContact N-O 2.84Å; N248-V419 WeakPolarHBondContact OD1-CA 3.2Å; N248-V419 PolarHBondContact OD1-O 3.25Å; N248-T421 PolarHBondContact ND2-OG1 3.45Å
249	K	97.7	Very high	94.7	Very high	48 Å²	48	47.6 Å²	47.6	21%	0.209	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	121.2	172.5	177.4	-174.5	171.3	-168.8	0	111.1	R247 E251 T324 V325 R326 V419	R247-K249 WeakPolarHBondContact CD-O 3.43Å; R247-K249 VanDerWaalsContact CG-O 3.3Å; R247-K249 WeakPolarHBondContact CG-O 3.48Å; R247-K249 PolarHBondContact NE-O 3.33Å; K249-E251 WeakPolarHBondContact CE-OE1 3.25Å; K249-E251 IonicContact NZ-OE1 3.45Å; K249-E251 PolarHBondContact NZ-OE1 3.02Å; K249-T324 HydrophobicContact CG-CG2 4.38Å; K249-V325 CarbonylContact C-O 3.58Å; K249-V325 WeakPolarHBondContact CA-O 3.23Å; K249-R326 HydrophobicContact CB-CG 4.14Å; K249-R326 HydrophobicContact CG-CG 3.99Å; K249-V419 HydrophobicContact CB-CG1 4.19Å
250	C	97.2	Very high	94	Very high	1 Å²	1	47 Å²	47	1%	0.007	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.4	176.3	-66.3	0	0	0	0	111.1	F252 T324 V325	C250-F252 HydrophobicContact CB-CD2 4.23Å; C250-F252 HydrophobicContact CB-CE1 4.05Å; C250-F252 HydrophobicContact CB-CE2 3.38Å; C250-F252 HydrophobicContact CB-CZ 3.27Å; C250-T324 CarbonylContact O-C 3.45Å; C250-T324 WeakPolarHBondContact O-CA 3.5Å; C250-V325 PolarHBondContact N-O 3.28Å; C250-V325 PolarHBondContact O-N 2.89Å
251	E	96.2	Very high	93.5	Very high	96 Å²	96	51.5 Å²	51.5	45%	0.449	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.7	176.4	-64.7	176.6	178.6	0	0	107.6	K249 T324	K249-E251 WeakPolarHBondContact CE-OE1 3.25Å; K249-E251 IonicContact NZ-OE1 3.45Å; K249-E251 PolarHBondContact NZ-OE1 3.02Å; E251-T324 HydrophobicContact CG-CG2 4.04Å
252	F	96.8	Very high	93	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.3	-176.3	-54.7	-79.1	0	0	0	110.1	C250 I265 G266 F267 P282 V288 V296 Q322 L323 V325	C250-F252 HydrophobicContact CB-CD2 4.23Å; C250-F252 HydrophobicContact CB-CE1 4.05Å; C250-F252 HydrophobicContact CB-CE2 3.38Å; C250-F252 HydrophobicContact CB-CZ 3.27Å; F252-I265 HydrophobicContact CB-CG2 3.56Å; F252-I265 HydrophobicContact CG-CG2 4.24Å; F252-G266 CarbonylContact C-O 3.57Å; F252-G266 WeakPolarHBondContact CA-O 3.21Å; F252-F267 HydrophobicContact CD1-CD1 4.42Å; F252-F267 AromaticContact CD1-CE1 3.98Å; F252-F267 HydrophobicContact CD1-CE1 3.98Å; F252-F267 HydrophobicContact CD1-CE2 4.13Å; F252-F267 AromaticContact CD1-CZ 3.84Å; F252-F267 HydrophobicContact CD1-CZ 3.84Å; F252-F267 HydrophobicContact CE1-CD2 4.47Å; F252-F267 HydrophobicContact CE1-CE1 4.01Å; F252-F267 AromaticContact CE1-CE2 3.69Å; F252-F267 HydrophobicContact CE1-CE2 3.69Å; F252-F267 AromaticContact CE1-CZ 3.42Å; F252-F267 HydrophobicContact CE1-CZ 3.42Å; F252-F267 VanDerWaalsContact CE1-CZ 3.42Å; F252-F267 HydrophobicContact CZ-CZ 4.35Å; F252-P282 HydrophobicContact CD1-CB 4.41Å; F252-P282 HydrophobicContact CD1-CG 4.42Å; F252-P282 HydrophobicContact CE1-CB 3.69Å; F252-P282 HydrophobicContact CE1-CG 3.88Å; F252-P282 HydrophobicContact CZ-CB 4.44Å; F252-P282 HydrophobicContact CZ-CG 4.42Å; F252-V288 HydrophobicContact CZ-CG1 4.01Å; F252-V296 HydrophobicContact CD1-CG2 4.34Å; F252-V296 HydrophobicContact CD2-CG2 3.52Å; F252-V296 HydrophobicContact CE1-CG2 4.19Å; F252-V296 HydrophobicContact CE2-CG2 3.32Å; F252-V296 HydrophobicContact CG-CG2 4.02Å; F252-V296 HydrophobicContact CZ-CG2 3.68Å; F252-Q322 CarbonylContact O-C 2.89Å; F252-Q322 VanDerWaalsContact O-CA 3.24Å; F252-Q322 WeakPolarHBondContact O-CA 3.4Å; F252-Q322 WeakPolarHBondContact O-CG 3.38Å; F252-L323 PolarHBondContact N-O 2.82Å; F252-L323 PolarHBondContact O-N 2.98Å; F252-V325 HydrophobicContact CD2-CG2 4.1Å; F252-V325 HydrophobicContact CE2-CB 4.09Å; F252-V325 HydrophobicContact CE2-CG2 3.86Å
253	L	94.8	Very high	92.9	Very high	49 Å²	49	49 Å²	49	26%	0.257	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	147.7	172.6	-65.9	175.8	0	0	0	110	I265 G266 R268 V279	L253-I265 WeakPolarHBondContact O-CA 3.5Å; L253-G266 PolarHBondContact N-O 3.3Å; L253-G266 PolarHBondContact O-N 3.36Å; L253-R268 HydrophobicContact CD1-CB 4.08Å; L253-V279 HydrophobicContact CB-CG1 3.89Å
254	I	95.6	Very high	92.9	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.3	173.7	-49.2	179.3	0	0	0	107.6	T264 I265 I303 V310 W320 K321 L323 I337	I254-T264 WeakPolarHBondContact CA-O 3.23Å; I254-I265 HydrophobicContact CG1-CG1 4.13Å; I254-I265 HydrophobicContact CG1-CG2 4.48Å; I254-I265 HydrophobicContact CG2-CG1 4.36Å; I254-I303 HydrophobicContact CD1-CD1 4.41Å; I254-I303 HydrophobicContact CG2-CD1 3.64Å; I254-V310 HydrophobicContact CG2-CG1 3.9Å; I254-W320 HydrophobicContact CB-CB 4.1Å; I254-W320 HydrophobicContact CD1-CB 3.98Å; I254-W320 HydrophobicContact CG2-CB 3.75Å; I254-K321 PolarHBondContact N-O 2.93Å; I254-L323 HydrophobicContact CD1-CB 4.37Å; I254-I337 HydrophobicContact CD1-CD1 3.49Å; I254-I337 VanDerWaalsContact CD1-CD1 3.49Å
255	S	92.8	Very high	92.9	Very high	17 Å²	17	42.3 Å²	42.3	12%	0.119	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	-173.2	-178.6	-152.6	0	0	0	0	111.3	T264 C277	S255-T264 PolarHBondContact N-O 3.04Å; S255-T264 PolarHBondContact O-N 3.21Å; S255-C277 PolarHBondContact OG-O 2.94Å
256	V	90	Very high	92.8	Very high	64 Å²	64	37.8 Å²	37.8	39%	0.388	21%	0.208	S	C	.	.			trans	-68.8	133.9	170	-174.8	0	0	0	0	108.7	A278 V279 V310	V256-A278 WeakPolarHBondContact O-CA 3.3Å; V256-V279 PolarHBondContact O-N 3.28Å; V256-V279 VanDerWaalsContact O-N 3.14Å; V256-V310 HydrophobicContact CG2-CG2 4.22Å
257	G	89.2	Confident	92.7	Very high	4 Å²	4	38.3 Å²	38.3	4%	0.041	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-68.2	156.1	178.2	0	0	0	0	0	111.8	D259 G260 E261 V279	G257-D259 VanDerWaalsContact CA-OD1 3.31Å; G257-D259 WeakPolarHBondContact CA-OD1 3.14Å; G257-D259 PolarHBondContact O-N 3.16Å; G257-G260 PolarHBondContact O-N 3.3Å; G257-E261 PolarHBondContact N-O 3.34Å; G257-V279 CarbonylContact C-O 3.58Å; G257-V279 WeakPolarHBondContact CA-O 3.38Å
258	A	85.3	Confident	92.2	Very high	40 Å²	40	38.4 Å²	38.4	33%	0.331	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.7	173.2	0	0	0	0	0	113.2	L171 G260 L269 A278 V279 V280	L171-A258 HydrophobicContact CD1-CB 3.92Å; L171-A258 HydrophobicContact CD2-CB 3.86Å; A258-G260 VanDerWaalsContact C-N 3.31Å; A258-L269 HydrophobicContact CB-CD1 3.61Å; A258-A278 HydrophobicContact CB-CB 4.28Å; A258-V279 PolarHBondContact N-O 3.43Å; A258-V280 HydrophobicContact CB-CG2 3.71Å
259	D	82.4	Confident	91.1	Very high	111 Å²	111	39.3 Å²	39.3	59%	0.594	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-4.5	170.1	54.1	4.2	0	0	0	113.6	G257 E261	G257-D259 VanDerWaalsContact CA-OD1 3.31Å; G257-D259 WeakPolarHBondContact CA-OD1 3.14Å; G257-D259 PolarHBondContact O-N 3.16Å; D259-E261 WeakPolarHBondContact OD1-CB 3.2Å; D259-E261 PolarHBondContact OD1-N 2.84Å
260	G	83.4	Confident	89.6	Confident	53 Å²	53	38.7 Å²	38.7	55%	0.546	22%	0.223	S	C	.	.	S	Bend	trans	88.9	-3.2	-176.6	0	0	0	0	0	114.4	G257 A258 D262	G257-G260 PolarHBondContact O-N 3.3Å; A258-G260 VanDerWaalsContact C-N 3.31Å; G260-D262 PolarHBondContact O-N 3.01Å
261	E	87.3	Confident	87.5	Confident	101 Å²	101	47.2 Å²	47.2	47%	0.472	26%	0.26	S	S	.	.			trans	-72	127.4	-179	-70.7	-72.3	132.3	0	0	111.5	G257 D259 T264 R304	G257-E261 PolarHBondContact N-O 3.34Å; D259-E261 WeakPolarHBondContact OD1-CB 3.2Å; D259-E261 PolarHBondContact OD1-N 2.84Å; E261-T264 PolarHBondContact O-OG1 3.06Å; E261-R304 IonicContact OE2-NH2 3.37Å
262	D	87.2	Confident	85.2	Confident	69 Å²	69	46.8 Å²	46.8	37%	0.369	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	154.8	177.4	-167.6	25.4	0	0	0	111.8	G260 T264 R304	G260-D262 PolarHBondContact O-N 3.01Å; D262-T264 VanDerWaalsContact C-N 3.3Å; D262-T264 PolarHBondContact O-N 2.98Å; D262-R304 PolarHBondContact O-NE 2.84Å
263	K	94.2	Very high	82.3	Confident	26 Å²	26	56.4 Å²	56.4	11%	0.113	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	44.8	177.6	-55.6	169.1	-158.8	167.7	0	112.7	Q300 I303 R304 T306 Y308 V310	K263-Q300 WeakPolarHBondContact O-CG 3.46Å; K263-I303 HydrophobicContact CB-CD1 3.79Å; K263-I303 HydrophobicContact CB-CG1 3.97Å; K263-I303 WeakPolarHBondContact CD-O 3.25Å; K263-R304 HydrophobicContact CB-CG 4.08Å; K263-R304 HydrophobicContact CD-CG 4.42Å; K263-T306 PolarHBondContact NZ-O 3.17Å; K263-Y308 WeakPolarHBondContact CE-O 3.39Å; K263-V310 HydrophobicContact CB-CG1 4.13Å; K263-V310 HydrophobicContact CG-CG1 3.76Å
264	T	95.6	Very high	79.8	Confident	6 Å²	6	56.5 Å²	56.5	4%	0.037	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	135.8	172	-62.8	0	0	0	0	109.5	I254 S255 E261 D262 V279	I254-T264 WeakPolarHBondContact CA-O 3.23Å; S255-T264 PolarHBondContact N-O 3.04Å; S255-T264 PolarHBondContact O-N 3.21Å; E261-T264 PolarHBondContact O-OG1 3.06Å; D262-T264 VanDerWaalsContact C-N 3.3Å; D262-T264 PolarHBondContact O-N 2.98Å; T264-V279 HydrophobicContact CG2-CG2 3.83Å; T264-V279 WeakPolarHBondContact O-CG2 3.49Å
265	I	97.3	Very high	77.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.5	178.2	-52.3	-175.7	0	0	0	108.6	F252 L253 I254 V296 F299 Q300 I303 L323	F252-I265 HydrophobicContact CB-CG2 3.56Å; F252-I265 HydrophobicContact CG-CG2 4.24Å; L253-I265 WeakPolarHBondContact O-CA 3.5Å; I254-I265 HydrophobicContact CG1-CG1 4.13Å; I254-I265 HydrophobicContact CG1-CG2 4.48Å; I254-I265 HydrophobicContact CG2-CG1 4.36Å; I265-V296 HydrophobicContact CB-CG1 3.84Å; I265-V296 HydrophobicContact CG2-CG1 3.75Å; I265-V296 HydrophobicContact CG2-CG2 4.38Å; I265-F299 HydrophobicContact CD1-CB 3.74Å; I265-Q300 HydrophobicContact CD1-CB 4.01Å; I265-Q300 HydrophobicContact CG1-CB 4.11Å; I265-Q300 HydrophobicContact CG1-CG 4.44Å; I265-I303 HydrophobicContact CD1-CD1 3.73Å; I265-I303 HydrophobicContact CD1-CG1 4.48Å; I265-I303 HydrophobicContact CG1-CD1 3.73Å; I265-L323 HydrophobicContact CD1-CD2 4.13Å; I265-L323 HydrophobicContact CG2-CB 4.22Å; I265-L323 HydrophobicContact CG2-CD2 4.14Å
266	G	95.6	Very high	75.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	-157.9	-176.1	0	0	0	0	0	115.4	F252 L253 V280	F252-G266 CarbonylContact C-O 3.57Å; F252-G266 WeakPolarHBondContact CA-O 3.21Å; L253-G266 PolarHBondContact N-O 3.3Å; L253-G266 PolarHBondContact O-N 3.36Å; G266-V280 CarbonylContact C-O 3.45Å; G266-V280 VanDerWaalsContact CA-O 3.24Å; G266-V280 WeakPolarHBondContact CA-O 3.47Å
267	F	93.2	Very high	74.5	Confident	27 Å²	27	57.7 Å²	57.7	12%	0.118	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	150.6	178.1	-61.6	-68.7	0	0	0	110.5	I175 V179 F252 V279 V280 P282 T285 H287 V288	I175-F267 HydrophobicContact CD1-CB 3.42Å; I175-F267 VanDerWaalsContact CD1-CB 3.42Å; I175-F267 HydrophobicContact CG1-CB 4.1Å; V179-F267 HydrophobicContact CG1-CB 3.82Å; V179-F267 HydrophobicContact CG1-CD1 4.15Å; V179-F267 HydrophobicContact CG1-CD2 4.04Å; V179-F267 HydrophobicContact CG1-CG 3.75Å; F252-F267 HydrophobicContact CD1-CD1 4.42Å; F252-F267 AromaticContact CD1-CE1 3.98Å; F252-F267 HydrophobicContact CD1-CE1 3.98Å; F252-F267 HydrophobicContact CD1-CE2 4.13Å; F252-F267 AromaticContact CD1-CZ 3.84Å; F252-F267 HydrophobicContact CD1-CZ 3.84Å; F252-F267 HydrophobicContact CE1-CD2 4.47Å; F252-F267 HydrophobicContact CE1-CE1 4.01Å; F252-F267 AromaticContact CE1-CE2 3.69Å; F252-F267 HydrophobicContact CE1-CE2 3.69Å; F252-F267 AromaticContact CE1-CZ 3.42Å; F252-F267 HydrophobicContact CE1-CZ 3.42Å; F252-F267 VanDerWaalsContact CE1-CZ 3.42Å; F252-F267 HydrophobicContact CZ-CZ 4.35Å; F267-V279 CarbonylContact O-C 3.02Å; F267-V279 VanDerWaalsContact O-CA 3.22Å; F267-V279 WeakPolarHBondContact O-CA 3.44Å; F267-V280 PolarHBondContact N-O 3.33Å; F267-V280 PolarHBondContact O-N 2.91Å; F267-P282 HydrophobicContact CD2-CB 4.38Å; F267-P282 HydrophobicContact CE2-CB 3.95Å; F267-T285 HydrophobicContact CD2-CG2 3.95Å; F267-T285 HydrophobicContact CE2-CG2 3.95Å; F267-H287 AromaticContact CZ-NE2 3.78Å; F267-V288 HydrophobicContact CE2-CG2 3.77Å; F267-V288 HydrophobicContact CZ-CG2 3.79Å
268	R	87.1	Confident	74.1	Confident	74 Å²	74	58.6 Å²	58.6	28%	0.279	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	135.4	178.1	-167	-178.1	-72.8	163.5	-6	110.9	L253 G270	L253-R268 HydrophobicContact CD1-CB 4.08Å; R268-G270 VanDerWaalsContact C-N 3.32Å; R268-G270 WeakPolarHBondContact CD-O 3.49Å; R268-G270 VanDerWaalsContact CG-O 3.25Å; R268-G270 WeakPolarHBondContact CG-O 3.3Å; R268-G270 PolarHBondContact O-N 2.79Å
269	L	75.1	Confident	74.3	Confident	36 Å²	36	56.7 Å²	56.7	19%	0.188	32%	0.317	C	S	.	.	S	Bend	trans	-69.4	-25.1	177.5	-75.9	170.7	0	0	0	114.2	L171 Q174 I175 A258 A278 V280	L171-L269 HydrophobicContact CD2-CD1 3.92Å; Q174-L269 HydrophobicContact CB-CD2 3.77Å; I175-L269 HydrophobicContact CB-CD2 4.19Å; I175-L269 HydrophobicContact CD1-CD2 4.27Å; A258-L269 HydrophobicContact CB-CD1 3.61Å; L269-A278 PolarHBondContact N-O 2.92Å; L269-V280 HydrophobicContact CD1-CG2 3.65Å; L269-V280 HydrophobicContact CD2-CB 4.45Å; L269-V280 HydrophobicContact CD2-CG2 3.73Å; L269-V280 HydrophobicContact CG-CG2 3.63Å
270	G	64.9	Low	74.7	Confident	35 Å²	35	52.3 Å²	52.3	36%	0.361	29%	0.294	S	S	.	.	S	Bend	trans	-145	169.9	-173.5	0	0	0	0	0	114.8	R268	R268-G270 VanDerWaalsContact C-N 3.32Å; R268-G270 WeakPolarHBondContact CD-O 3.49Å; R268-G270 VanDerWaalsContact CG-O 3.25Å; R268-G270 WeakPolarHBondContact CG-O 3.3Å; R268-G270 PolarHBondContact O-N 2.79Å
271	K	54.3	Low	75.2	Confident	180 Å²	180	51 Å²	51	78%	0.783	28%	0.281	S	S	*	.			trans	-69.6	144.8	171.8	-67.3	177	-177.8	170.5	0	109.2	K273 G274	K271-K273 PolarHBondContact O-N 3.46Å; K271-G274 WeakPolarHBondContact O-CA 3.37Å; K271-G274 PolarHBondContact O-N 2.69Å
272	Y	46.7	Very low	75.5	Confident	87 Å²	87	46.6 Å²	46.6	34%	0.341	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-51.1	-31.8	177	-164	-96.4	0	0	0	113.4	I142 G274 G275 P313	I142-Y272 HydrophobicContact CD1-CE1 3.99Å; Y272-G274 PolarHBondContact O-N 2.63Å; Y272-G275 PolarHBondContact O-N 2.7Å; Y272-P313 HydrophobicContact CE2-CB 4.04Å; Y272-P313 HydrophobicContact CE2-CG 4.29Å
273	K	36.6	Very low	75.6	Confident	202 Å²	202	46.5 Å²	46.5	88%	0.878	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-65	-15.3	174.9	-68.2	-175.5	177.2	-179.8	0	114.7	K271	K271-K273 PolarHBondContact O-N 3.46Å
274	G	42.1	Very low	75.2	Confident	50 Å²	50	51.7 Å²	51.7	52%	0.515	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-82.3	-11.7	176.9	0	0	0	0	0	113.8	K271 Y272 S276	K271-G274 WeakPolarHBondContact O-CA 3.37Å; K271-G274 PolarHBondContact O-N 2.69Å; Y272-G274 PolarHBondContact O-N 2.63Å; G274-S276 VanDerWaalsContact C-N 3.34Å
275	G	45.4	Very low	75.1	Confident	33 Å²	33	51.5 Å²	51.5	34%	0.34	29%	0.293	S	S	.	.	S	Bend	trans	80.3	7.2	178.6	0	0	0	0	0	115.2	Y272	Y272-G275 PolarHBondContact O-N 2.7Å
276	S	56.3	Low	75	Confident	49 Å²	49	53.3 Å²	53.3	34%	0.343	31%	0.305	S	S	.	.			trans	-105.2	119.1	173	-179.3	0	0	0	0	110.5	G274 A278	G274-S276 VanDerWaalsContact C-N 3.34Å; S276-A278 WeakPolarHBondContact OG-CB 3.48Å; S276-A278 PolarHBondContact OG-N 3.4Å
277	C	64.4	Low	75	Confident	29 Å²	29	53.5 Å²	53.5	20%	0.196	31%	0.306	C	S	.	.			trans	-92.8	1.1	170.2	-71.6	0	0	0	0	112.2	S255	S255-C277 PolarHBondContact OG-O 2.94Å
278	A	81	Confident	75.2	Confident	22 Å²	22	52.2 Å²	52.2	18%	0.182	30%	0.3	C	S	.	.			trans	-64.1	140.3	-176.1	0	0	0	0	0	112.2	V256 A258 L269 S276	V256-A278 WeakPolarHBondContact O-CA 3.3Å; A258-A278 HydrophobicContact CB-CB 4.28Å; L269-A278 PolarHBondContact N-O 2.92Å; S276-A278 WeakPolarHBondContact OG-CB 3.48Å; S276-A278 PolarHBondContact OG-N 3.4Å
279	V	89.4	Confident	75.7	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	153.1	177.4	-63.3	0	0	0	0	111.1	L253 V256 G257 A258 T264 F267	L253-V279 HydrophobicContact CB-CG1 3.89Å; V256-V279 PolarHBondContact O-N 3.28Å; V256-V279 VanDerWaalsContact O-N 3.14Å; G257-V279 CarbonylContact C-O 3.58Å; G257-V279 WeakPolarHBondContact CA-O 3.38Å; A258-V279 PolarHBondContact N-O 3.43Å; T264-V279 HydrophobicContact CG2-CG2 3.83Å; T264-V279 WeakPolarHBondContact O-CG2 3.49Å; F267-V279 CarbonylContact O-C 3.02Å; F267-V279 VanDerWaalsContact O-CA 3.22Å; F267-V279 WeakPolarHBondContact O-CA 3.44Å
280	V	91.6	Very high	76.7	Confident	19 Å²	19	48.7 Å²	48.7	12%	0.115	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.5	173.8	174.2	0	0	0	0	108.5	L171 I175 A258 G266 F267 L269	L171-V280 HydrophobicContact CB-CG2 4.42Å; L171-V280 HydrophobicContact CD2-CG2 4.39Å; I175-V280 HydrophobicContact CB-CB 4.26Å; I175-V280 HydrophobicContact CB-CG1 4.16Å; I175-V280 HydrophobicContact CD1-CB 4.31Å; I175-V280 HydrophobicContact CG1-CB 4.26Å; I175-V280 HydrophobicContact CG1-CG1 4.44Å; I175-V280 HydrophobicContact CG2-CG1 4.06Å; A258-V280 HydrophobicContact CB-CG2 3.71Å; G266-V280 CarbonylContact C-O 3.45Å; G266-V280 VanDerWaalsContact CA-O 3.24Å; G266-V280 WeakPolarHBondContact CA-O 3.47Å; F267-V280 PolarHBondContact N-O 3.33Å; F267-V280 PolarHBondContact O-N 2.91Å; L269-V280 HydrophobicContact CD1-CG2 3.65Å; L269-V280 HydrophobicContact CD2-CB 4.45Å; L269-V280 HydrophobicContact CD2-CG2 3.73Å; L269-V280 HydrophobicContact CG-CG2 3.63Å
281	G	93.1	Very high	78.2	Confident	25 Å²	25	49.4 Å²	49.4	26%	0.258	29%	0.286	S	S	.	.			trans	-58.2	154.5	179.6	0	0	0	0	0	112.6	A283	G281-A283 VanDerWaalsContact C-N 3.27Å; G281-A283 PolarHBondContact O-N 3.37Å
282	P	93.9	Very high	80.2	Confident	8 Å²	8	40.9 Å²	40.9	5%	0.052	25%	0.25	C	C	.	.	S	Bend	trans	-82.6	5.9	-171.3	34.3	-37.8	0	0	0	114.8	F252 F267 E284 T285 V288 K293 V296	F252-P282 HydrophobicContact CD1-CB 4.41Å; F252-P282 HydrophobicContact CD1-CG 4.42Å; F252-P282 HydrophobicContact CE1-CB 3.69Å; F252-P282 HydrophobicContact CE1-CG 3.88Å; F252-P282 HydrophobicContact CZ-CB 4.44Å; F252-P282 HydrophobicContact CZ-CG 4.42Å; F267-P282 HydrophobicContact CD2-CB 4.38Å; F267-P282 HydrophobicContact CE2-CB 3.95Å; P282-E284 VanDerWaalsContact C-N 3.3Å; P282-E284 PolarHBondContact O-N 3.15Å; P282-T285 WeakPolarHBondContact O-CB 3.32Å; P282-T285 PolarHBondContact O-N 3.38Å; P282-T285 PolarHBondContact O-OG1 3.26Å; P282-V288 HydrophobicContact CB-CG2 4.46Å; P282-K293 VanDerWaalsContact O-CE 3.29Å; P282-K293 WeakPolarHBondContact O-CE 3.29Å; P282-V296 HydrophobicContact CG-CB 4.22Å; P282-V296 HydrophobicContact CG-CG1 3.85Å; P282-V296 HydrophobicContact CG-CG2 4.31Å
283	A	89.8	Confident	82.7	Confident	67 Å²	67	39.2 Å²	39.2	55%	0.554	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-48.2	-173	0	0	0	0	0	112.6	G281 T285 K293	G281-A283 VanDerWaalsContact C-N 3.27Å; G281-A283 PolarHBondContact O-N 3.37Å; A283-T285 VanDerWaalsContact C-N 3.3Å; A283-T285 PolarHBondContact O-N 3.02Å; A283-K293 PolarHBondContact O-NZ 3.36Å
284	E	86.8	Confident	85.6	Confident	136 Å²	136	34.8 Å²	34.8	64%	0.636	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	10.6	-177.2	-59.9	-60.1	150.5	0	0	113.7	P282	P282-E284 VanDerWaalsContact C-N 3.3Å; P282-E284 PolarHBondContact O-N 3.15Å
285	T	92.6	Very high	88.2	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.006	20%	0.197	C	C	.	.			trans	-90.9	121.9	177.7	64.4	0	0	0	0	110.6	I175 V179 F267 P282 A283 H287 V288 K293	I175-T285 HydrophobicContact CG1-CG2 4.31Å; I175-T285 HydrophobicContact CG2-CG2 4.37Å; V179-T285 HydrophobicContact CG2-CG2 4.02Å; F267-T285 HydrophobicContact CD2-CG2 3.95Å; F267-T285 HydrophobicContact CE2-CG2 3.95Å; P282-T285 WeakPolarHBondContact O-CB 3.32Å; P282-T285 PolarHBondContact O-N 3.38Å; P282-T285 PolarHBondContact O-OG1 3.26Å; A283-T285 VanDerWaalsContact C-N 3.3Å; A283-T285 PolarHBondContact O-N 3.02Å; T285-H287 PolarHBondContact O-N 3.41Å; T285-V288 WeakPolarHBondContact OG1-CB 3.37Å; T285-V288 WeakPolarHBondContact OG1-CG2 3.33Å; T285-K293 VanDerWaalsContact O-CE 3.29Å; T285-K293 WeakPolarHBondContact O-CE 3.34Å; T285-K293 PolarHBondContact O-NZ 3.46Å
286	C	95.1	Very high	90.8	Very high	39 Å²	39	31 Å²	31	26%	0.264	18%	0.182	S	C	.	.	S	Bend	trans	-75.2	-22.4	-172.9	61.5	0	0	0	0	114.1	T244 E245	T244-C286 CarbonylContact C-O 3.38Å; T244-C286 VanDerWaalsContact CA-O 3.26Å; T244-C286 WeakPolarHBondContact CA-O 3.13Å; T244-C286 VanDerWaalsContact CB-O 3.3Å; T244-C286 WeakPolarHBondContact CB-O 3.38Å; T244-C286 HydrophobicContact CG2-CB 4.2Å; E245-C286 PolarHBondContact N-O 2.97Å
287	H	96.1	Very high	92.7	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.014	19%	0.188	C	C	.	.	S	Bend	trans	-88.7	-19.6	-175.1	67.1	-77.4	0	0	0	113.5	V179 T180 Y246 R247 F267 T285	V179-H287 WeakPolarHBondContact CG2-CE1 3.48Å; T180-H287 HydrophobicContact CG2-CB 3.88Å; T180-H287 WeakPolarHBondContact CG2-ND1 3.45Å; Y246-H287 HydrophobicContact CD1-CB 4.47Å; Y246-H287 HydrophobicContact CE1-CB 3.76Å; Y246-H287 PolarHBondContact N-O 2.83Å; R247-H287 WeakPolarHBondContact CB-O 3.28Å; R247-H287 PolarHBondContact N-O 3.36Å; R247-H287 VanDerWaalsContact N-O 3.14Å; F267-H287 AromaticContact CZ-NE2 3.78Å; T285-H287 PolarHBondContact O-N 3.41Å
288	V	97.3	Very high	94.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-82.9	131.2	-179.6	-178.4	0	0	0	0	109.5	F252 F267 P282 T285 A292 K293	F252-V288 HydrophobicContact CZ-CG1 4.01Å; F267-V288 HydrophobicContact CE2-CG2 3.77Å; F267-V288 HydrophobicContact CZ-CG2 3.79Å; P282-V288 HydrophobicContact CB-CG2 4.46Å; T285-V288 WeakPolarHBondContact OG1-CB 3.37Å; T285-V288 WeakPolarHBondContact OG1-CG2 3.33Å; V288-A292 HydrophobicContact CG1-CB 3.77Å; V288-K293 HydrophobicContact CB-CG 4.46Å; V288-K293 HydrophobicContact CG1-CG 3.87Å; V288-K293 VanDerWaalsContact O-CE 3.26Å; V288-K293 WeakPolarHBondContact O-CE 3.39Å
289	S	96.4	Very high	95.1	Very high	5 Å²	5	31.5 Å²	31.5	4%	0.035	17%	0.172	C	C	.	.			trans	-65.4	150.8	178.6	62.3	0	0	0	0	113.2	E291 A292 K293 T327	S289-E291 PolarHBondContact O-N 2.87Å; S289-A292 PolarHBondContact O-N 2.85Å; S289-A292 VanDerWaalsContact O-N 3.13Å; S289-A292 WeakPolarHBondContact OG-CB 3.37Å; S289-A292 PolarHBondContact OG-N 3.4Å; S289-K293 WeakPolarHBondContact O-CG 3.19Å; S289-K293 PolarHBondContact O-N 3.07Å; S289-T327 PolarHBondContact OG-OG1 2.59Å
290	A	96	Very high	95.5	Very high	32 Å²	32	33.1 Å²	33.1	26%	0.264	18%	0.18	S	C	.	.	H	α-helix	trans	-54.5	-38.6	171.7	0	0	0	0	0	112.3	E245 K293 R294	E245-A290 WeakPolarHBondContact OE2-CB 3.48Å; E245-A290 PolarHBondContact OE2-N 3.27Å; A290-K293 PolarHBondContact O-N 3.39Å; A290-R294 WeakPolarHBondContact O-CG 3.06Å; A290-R294 PolarHBondContact O-N 2.93Å; A290-R294 PolarHBondContact O-NH1 3.4Å
291	E	96.9	Very high	95.8	Very high	50 Å²	50	36 Å²	36	23%	0.234	19%	0.19	C	C	.	.	H	α-helix	trans	-56.5	-51.7	173.4	-71.6	63.7	-150.5	0	0	111.6	S289 K293 R294 V295 T327 K331	S289-E291 PolarHBondContact O-N 2.87Å; E291-K293 VanDerWaalsContact C-N 3.32Å; E291-K293 PolarHBondContact O-N 3.38Å; E291-R294 VanDerWaalsContact CD-NH2 3.32Å; E291-R294 VanDerWaalsContact CG-NH2 3.25Å; E291-R294 PolarHBondContact O-N 3.01Å; E291-R294 IonicContact OE1-NH2 3.87Å; E291-R294 PolarHBondContact OE1-NH2 3.04Å; E291-V295 WeakPolarHBondContact O-CG2 3.36Å; E291-V295 PolarHBondContact O-N 3.28Å; E291-T327 HydrophobicContact CB-CG2 3.64Å; E291-K331 IonicContact OE1-NZ 2.91Å; E291-K331 PolarHBondContact OE1-NZ 3.21Å
292	A	97.8	Very high	96	Very high	1 Å²	1	35 Å²	35	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-36.4	-179.7	0	0	0	0	0	111.8	V288 S289 V295 V296 V325 T327	V288-A292 HydrophobicContact CG1-CB 3.77Å; S289-A292 PolarHBondContact O-N 2.85Å; S289-A292 VanDerWaalsContact O-N 3.13Å; S289-A292 WeakPolarHBondContact OG-CB 3.37Å; S289-A292 PolarHBondContact OG-N 3.4Å; A292-V295 PolarHBondContact O-N 2.86Å; A292-V296 VanDerWaalsContact O-CG2 3.32Å; A292-V296 WeakPolarHBondContact O-CG2 3.49Å; A292-V296 PolarHBondContact O-N 3.41Å; A292-V325 HydrophobicContact CB-CB 4.49Å; A292-V325 HydrophobicContact CB-CG1 4.02Å; A292-T327 HydrophobicContact CB-CG2 4.2Å
293	K	97.7	Very high	96.2	Very high	51 Å²	51	34.6 Å²	34.6	22%	0.222	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-42	174	-68.4	175.5	-173.5	-176.9	0	111.8	P282 A283 T285 V288 S289 A290 E291 V296 H297	P282-K293 VanDerWaalsContact O-CE 3.29Å; P282-K293 WeakPolarHBondContact O-CE 3.29Å; A283-K293 PolarHBondContact O-NZ 3.36Å; T285-K293 VanDerWaalsContact O-CE 3.29Å; T285-K293 WeakPolarHBondContact O-CE 3.34Å; T285-K293 PolarHBondContact O-NZ 3.46Å; V288-K293 HydrophobicContact CB-CG 4.46Å; V288-K293 HydrophobicContact CG1-CG 3.87Å; V288-K293 VanDerWaalsContact O-CE 3.26Å; V288-K293 WeakPolarHBondContact O-CE 3.39Å; S289-K293 WeakPolarHBondContact O-CG 3.19Å; S289-K293 PolarHBondContact O-N 3.07Å; A290-K293 PolarHBondContact O-N 3.39Å; E291-K293 VanDerWaalsContact C-N 3.32Å; E291-K293 PolarHBondContact O-N 3.38Å; K293-V296 PolarHBondContact O-N 3.35Å; K293-H297 WeakPolarHBondContact O-CB 3.44Å; K293-H297 PolarHBondContact O-N 2.82Å
294	R	97.5	Very high	96.5	Very high	109 Å²	109	36 Å²	36	41%	0.411	17%	0.168	S	C	.	.	H	α-helix	trans	-61.8	-45.8	174.9	-72.9	-171.4	-61.5	-88.1	7.4	111.9	A290 E291 V296 H297 E298	A290-R294 WeakPolarHBondContact O-CG 3.06Å; A290-R294 PolarHBondContact O-N 2.93Å; A290-R294 PolarHBondContact O-NH1 3.4Å; E291-R294 VanDerWaalsContact CD-NH2 3.32Å; E291-R294 VanDerWaalsContact CG-NH2 3.25Å; E291-R294 PolarHBondContact O-N 3.01Å; E291-R294 IonicContact OE1-NH2 3.87Å; E291-R294 PolarHBondContact OE1-NH2 3.04Å; R294-V296 VanDerWaalsContact C-N 3.35Å; R294-V296 PolarHBondContact O-N 2.95Å; R294-H297 PolarHBondContact O-N 3.21Å; R294-E298 PolarHBondContact O-N 2.82Å; R294-E298 VanDerWaalsContact O-N 3.07Å
295	V	98.2	Very high	97	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.7	-47.8	175.7	171.7	0	0	0	0	111.2	E291 A292 H297 F299 V325 A333 A335 I370	E291-V295 WeakPolarHBondContact O-CG2 3.36Å; E291-V295 PolarHBondContact O-N 3.28Å; A292-V295 PolarHBondContact O-N 2.86Å; V295-H297 VanDerWaalsContact C-N 3.35Å; V295-H297 PolarHBondContact O-N 3.26Å; V295-F299 HydrophobicContact CG1-CD2 4.08Å; V295-F299 WeakPolarHBondContact O-CB 3.24Å; V295-F299 PolarHBondContact O-N 2.84Å; V295-V325 HydrophobicContact CB-CG1 3.93Å; V295-V325 HydrophobicContact CB-CG2 4.27Å; V295-V325 HydrophobicContact CG1-CB 4.36Å; V295-V325 HydrophobicContact CG1-CG1 3.8Å; V295-V325 HydrophobicContact CG1-CG2 3.57Å; V295-V325 HydrophobicContact CG2-CG1 4.14Å; V295-A333 HydrophobicContact CG2-CB 4.31Å; V295-A335 HydrophobicContact CG1-CB 4.22Å; V295-I370 HydrophobicContact CG1-CD1 4.08Å; V295-I370 HydrophobicContact CG1-CG1 4.12Å; V295-I370 HydrophobicContact CG2-CG1 3.96Å
296	V	98.1	Very high	97.1	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.024	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-43.9	178.4	169.1	0	0	0	0	111.8	F252 I265 P282 A292 K293 R294 F299 Q300 L323 V325	F252-V296 HydrophobicContact CD1-CG2 4.34Å; F252-V296 HydrophobicContact CD2-CG2 3.52Å; F252-V296 HydrophobicContact CE1-CG2 4.19Å; F252-V296 HydrophobicContact CE2-CG2 3.32Å; F252-V296 HydrophobicContact CG-CG2 4.02Å; F252-V296 HydrophobicContact CZ-CG2 3.68Å; I265-V296 HydrophobicContact CB-CG1 3.84Å; I265-V296 HydrophobicContact CG2-CG1 3.75Å; I265-V296 HydrophobicContact CG2-CG2 4.38Å; P282-V296 HydrophobicContact CG-CB 4.22Å; P282-V296 HydrophobicContact CG-CG1 3.85Å; P282-V296 HydrophobicContact CG-CG2 4.31Å; A292-V296 VanDerWaalsContact O-CG2 3.32Å; A292-V296 WeakPolarHBondContact O-CG2 3.49Å; A292-V296 PolarHBondContact O-N 3.41Å; K293-V296 PolarHBondContact O-N 3.35Å; R294-V296 VanDerWaalsContact C-N 3.35Å; R294-V296 PolarHBondContact O-N 2.95Å; V296-F299 PolarHBondContact O-N 3.04Å; V296-Q300 WeakPolarHBondContact O-CB 3.46Å; V296-Q300 PolarHBondContact O-N 2.83Å; V296-L323 HydrophobicContact CG2-CD2 4.32Å; V296-V325 HydrophobicContact CG2-CG2 4.31Å
297	H	97.4	Very high	97.1	Very high	100 Å²	100	40.7 Å²	40.7	46%	0.463	19%	0.192	S	C	.	.	H	α-helix	trans	-60.5	-50.3	179.9	-178.1	67.8	0	0	0	112.3	K293 R294 V295 F299 Q300 K301	K293-H297 WeakPolarHBondContact O-CB 3.44Å; K293-H297 PolarHBondContact O-N 2.82Å; R294-H297 PolarHBondContact O-N 3.21Å; V295-H297 VanDerWaalsContact C-N 3.35Å; V295-H297 PolarHBondContact O-N 3.26Å; H297-F299 PolarHBondContact O-N 2.95Å; H297-Q300 PolarHBondContact O-N 2.95Å; H297-K301 VanDerWaalsContact NE2-CE 3.28Å; H297-K301 WeakPolarHBondContact NE2-CE 3.44Å; H297-K301 PolarHBondContact O-N 2.79Å
298	E	97.9	Very high	97.2	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-68.2	-35.3	178.8	-65.8	-50.4	127	0	0	112.3	R294 K301 F302 Y359 F360	R294-E298 PolarHBondContact O-N 2.82Å; R294-E298 VanDerWaalsContact O-N 3.07Å; E298-K301 PolarHBondContact O-N 2.72Å; E298-K301 IonicContact OE1-NZ 2.96Å; E298-K301 PolarHBondContact OE1-NZ 3.37Å; E298-K301 WeakPolarHBondContact OE2-CD 3.35Å; E298-K301 IonicContact OE2-NZ 2.74Å; E298-K301 PolarHBondContact OE2-NZ 3.31Å; E298-F302 PolarHBondContact O-N 3.07Å; E298-Y359 PolarHBondContact OE2-OH 2.88Å; E298-F360 HydrophobicContact CB-CE1 4.15Å
299	F	97.9	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.5	-41	171.5	-109	-83.6	0	0	0	113.1	I265 V295 V296 H297 F302 I303 L323 A335 I337 M356 F360 I370 L373	I265-F299 HydrophobicContact CD1-CB 3.74Å; V295-F299 HydrophobicContact CG1-CD2 4.08Å; V295-F299 WeakPolarHBondContact O-CB 3.24Å; V295-F299 PolarHBondContact O-N 2.84Å; V296-F299 PolarHBondContact O-N 3.04Å; H297-F299 PolarHBondContact O-N 2.95Å; F299-F302 PolarHBondContact O-N 3.45Å; F299-I303 HydrophobicContact CD1-CG2 4.44Å; F299-I303 WeakPolarHBondContact O-CG1 3.44Å; F299-I303 WeakPolarHBondContact O-CG2 3.24Å; F299-I303 PolarHBondContact O-N 3.36Å; F299-L323 HydrophobicContact CB-CD2 3.71Å; F299-L323 HydrophobicContact CD1-CD1 4.16Å; F299-L323 HydrophobicContact CD1-CD2 4.28Å; F299-L323 HydrophobicContact CD2-CD1 4.09Å; F299-L323 HydrophobicContact CD2-CD2 3.98Å; F299-L323 HydrophobicContact CE1-CD1 4.03Å; F299-L323 HydrophobicContact CE2-CD1 3.96Å; F299-L323 HydrophobicContact CG-CD1 4.16Å; F299-L323 HydrophobicContact CG-CD2 3.73Å; F299-L323 HydrophobicContact CZ-CD1 3.89Å; F299-A335 HydrophobicContact CD2-CB 4.33Å; F299-A335 HydrophobicContact CE2-CB 3.42Å; F299-A335 VanDerWaalsContact CE2-CB 3.42Å; F299-A335 HydrophobicContact CZ-CB 3.99Å; F299-I337 HydrophobicContact CE1-CB 4.21Å; F299-I337 HydrophobicContact CE1-CD1 4.22Å; F299-I337 HydrophobicContact CE1-CG1 4.23Å; F299-M356 HydrophobicContact CE1-CE 4.11Å; F299-M356 HydrophobicContact CZ-CE 4.15Å; F299-F360 HydrophobicContact CB-CZ 4.32Å; F299-F360 HydrophobicContact CD1-CE2 4.26Å; F299-F360 AromaticContact CD1-CZ 3.97Å; F299-F360 HydrophobicContact CD1-CZ 3.97Å; F299-F360 AromaticContact CD2-CE1 3.85Å; F299-F360 HydrophobicContact CD2-CE1 3.85Å; F299-F360 HydrophobicContact CD2-CE2 4.08Å; F299-F360 AromaticContact CD2-CZ 3.36Å; F299-F360 HydrophobicContact CD2-CZ 3.36Å; F299-F360 HydrophobicContact CE1-CE2 4.01Å; F299-F360 HydrophobicContact CE1-CZ 4.13Å; F299-F360 HydrophobicContact CE2-CE1 4.11Å; F299-F360 AromaticContact CE2-CE2 3.8Å; F299-F360 HydrophobicContact CE2-CE2 3.8Å; F299-F360 AromaticContact CE2-CZ 3.54Å; F299-F360 HydrophobicContact CE2-CZ 3.54Å; F299-F360 HydrophobicContact CG-CE1 4.41Å; F299-F360 HydrophobicContact CG-CE2 4.33Å; F299-F360 AromaticContact CG-CZ 3.62Å; F299-F360 HydrophobicContact CG-CZ 3.62Å; F299-F360 AromaticContact CZ-CE2 3.8Å; F299-F360 HydrophobicContact CZ-CE2 3.8Å; F299-F360 AromaticContact CZ-CZ 3.95Å; F299-F360 HydrophobicContact CZ-CZ 3.95Å; F299-I370 HydrophobicContact CD2-CD1 3.94Å; F299-I370 HydrophobicContact CE2-CD1 3.59Å; F299-L373 HydrophobicContact CE2-CD1 3.92Å; F299-L373 HydrophobicContact CZ-CD1 3.53Å
300	Q	97.9	Very high	96.9	Very high	36 Å²	36	44.8 Å²	44.8	17%	0.168	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-43.8	178.2	-174.4	169.6	-74.7	0	0	111.1	K263 I265 V296 H297 I303 R304	K263-Q300 WeakPolarHBondContact O-CG 3.46Å; I265-Q300 HydrophobicContact CD1-CB 4.01Å; I265-Q300 HydrophobicContact CG1-CB 4.11Å; I265-Q300 HydrophobicContact CG1-CG 4.44Å; V296-Q300 WeakPolarHBondContact O-CB 3.46Å; V296-Q300 PolarHBondContact O-N 2.83Å; H297-Q300 PolarHBondContact O-N 2.95Å; Q300-I303 WeakPolarHBondContact O-CG1 3.37Å; Q300-R304 WeakPolarHBondContact O-CB 3.42Å; Q300-R304 VanDerWaalsContact O-CG 3.28Å; Q300-R304 WeakPolarHBondContact O-CG 3.03Å; Q300-R304 PolarHBondContact O-N 3.09Å
301	K	97.3	Very high	96.7	Very high	78 Å²	78	44.5 Å²	44.5	34%	0.339	21%	0.209	S	C	.	.	H	α-helix	trans	-55.8	-51.5	171.9	-73.4	176.9	179.3	168.8	0	111	H297 E298 R304 T305	H297-K301 VanDerWaalsContact NE2-CE 3.28Å; H297-K301 WeakPolarHBondContact NE2-CE 3.44Å; H297-K301 PolarHBondContact O-N 2.79Å; E298-K301 PolarHBondContact O-N 2.72Å; E298-K301 IonicContact OE1-NZ 2.96Å; E298-K301 PolarHBondContact OE1-NZ 3.37Å; E298-K301 WeakPolarHBondContact OE2-CD 3.35Å; E298-K301 IonicContact OE2-NZ 2.74Å; E298-K301 PolarHBondContact OE2-NZ 3.31Å; K301-R304 PolarHBondContact O-N 2.62Å; K301-T305 WeakPolarHBondContact O-CG2 3.42Å; K301-T305 PolarHBondContact O-N 2.91Å
302	F	97.9	Very high	96.1	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-56.2	-56.1	179.6	174.8	-101.5	0	0	0	112.5	E298 F299 R304 T305 T306 W320 L352 M356 Y359 F360	E298-F302 PolarHBondContact O-N 3.07Å; F299-F302 PolarHBondContact O-N 3.45Å; F302-R304 PolarHBondContact O-N 3.42Å; F302-R304 VanDerWaalsContact O-N 3.16Å; F302-T305 WeakPolarHBondContact O-CB 3.47Å; F302-T305 PolarHBondContact O-N 2.92Å; F302-T305 PolarHBondContact O-OG1 3.11Å; F302-T306 HydrophobicContact CD1-CG2 4.48Å; F302-T306 HydrophobicContact CE1-CG2 3.91Å; F302-T306 HydrophobicContact CE2-CG2 4.5Å; F302-T306 HydrophobicContact CZ-CG2 3.93Å; F302-W320 HydrophobicContact CE1-CH2 4.32Å; F302-L352 HydrophobicContact CE1-CD1 4.28Å; F302-L352 HydrophobicContact CZ-CD1 4.17Å; F302-M356 HydrophobicContact CD1-CG 4.16Å; F302-M356 HydrophobicContact CE1-CB 4.3Å; F302-M356 HydrophobicContact CE1-CG 3.19Å; F302-M356 HydrophobicContact CE1-SD 4.29Å; F302-M356 HydrophobicContact CE2-CG 4.25Å; F302-M356 HydrophobicContact CZ-CB 4.02Å; F302-M356 HydrophobicContact CZ-CG 3.25Å; F302-Y359 HydrophobicContact CB-CD1 3.77Å; F302-Y359 HydrophobicContact CB-CE1 3.66Å; F302-Y359 HydrophobicContact CB-CG 4.35Å; F302-Y359 AromaticContact CD2-CD1 3.74Å; F302-Y359 HydrophobicContact CD2-CD1 3.74Å; F302-Y359 HydrophobicContact CD2-CD2 4.04Å; F302-Y359 HydrophobicContact CD2-CE1 4.39Å; F302-Y359 AromaticContact CD2-CG 3.53Å; F302-Y359 HydrophobicContact CD2-CG 3.53Å; F302-Y359 HydrophobicContact CE2-CG 4.3Å; F302-Y359 HydrophobicContact CG-CD1 4.03Å; F302-Y359 HydrophobicContact CG-CE1 4.42Å; F302-Y359 HydrophobicContact CG-CG 4.29Å; F302-F360 HydrophobicContact CB-CE2 4.39Å; F302-F360 HydrophobicContact CB-CZ 4.15Å; F302-F360 HydrophobicContact CD1-CE2 4.33Å; F302-F360 HydrophobicContact CG-CE2 4.22Å; F302-F360 HydrophobicContact CG-CZ 4.47Å
303	I	97.4	Very high	95.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-28	-174.1	64.6	174.6	0	0	0	112.2	I254 K263 I265 F299 Q300 T305 T306 W320	I254-I303 HydrophobicContact CD1-CD1 4.41Å; I254-I303 HydrophobicContact CG2-CD1 3.64Å; K263-I303 HydrophobicContact CB-CD1 3.79Å; K263-I303 HydrophobicContact CB-CG1 3.97Å; K263-I303 WeakPolarHBondContact CD-O 3.25Å; I265-I303 HydrophobicContact CD1-CD1 3.73Å; I265-I303 HydrophobicContact CD1-CG1 4.48Å; I265-I303 HydrophobicContact CG1-CD1 3.73Å; F299-I303 HydrophobicContact CD1-CG2 4.44Å; F299-I303 WeakPolarHBondContact O-CG1 3.44Å; F299-I303 WeakPolarHBondContact O-CG2 3.24Å; F299-I303 PolarHBondContact O-N 3.36Å; Q300-I303 WeakPolarHBondContact O-CG1 3.37Å; I303-T305 VanDerWaalsContact C-N 3.3Å; I303-T305 PolarHBondContact O-N 2.71Å; I303-T306 PolarHBondContact O-N 2.74Å; I303-T306 VanDerWaalsContact O-N 3.08Å; I303-T306 PolarHBondContact O-OG1 2.89Å; I303-W320 HydrophobicContact CB-CD2 4.37Å; I303-W320 HydrophobicContact CB-CZ2 4.25Å; I303-W320 HydrophobicContact CG2-CD2 3.94Å; I303-W320 HydrophobicContact CG2-CE3 4.15Å; I303-W320 HydrophobicContact CG2-CH2 4.02Å; I303-W320 HydrophobicContact CG2-CZ2 3.76Å; I303-W320 HydrophobicContact CG2-CZ3 4.23Å
304	R	96.7	Very high	94.1	Very high	97 Å²	97	45.5 Å²	45.5	37%	0.366	22%	0.221	S	C	.	.	H	α-helix	trans	-64.9	-30.6	174.2	-76.5	176.9	174.1	-178.6	-1.3	113.1	E261 D262 K263 Q300 K301 F302 T306	E261-R304 IonicContact OE2-NH2 3.37Å; D262-R304 PolarHBondContact O-NE 2.84Å; K263-R304 HydrophobicContact CB-CG 4.08Å; K263-R304 HydrophobicContact CD-CG 4.42Å; Q300-R304 WeakPolarHBondContact O-CB 3.42Å; Q300-R304 VanDerWaalsContact O-CG 3.28Å; Q300-R304 WeakPolarHBondContact O-CG 3.03Å; Q300-R304 PolarHBondContact O-N 3.09Å; K301-R304 PolarHBondContact O-N 2.62Å; F302-R304 PolarHBondContact O-N 3.42Å; F302-R304 VanDerWaalsContact O-N 3.16Å; R304-T306 PolarHBondContact O-N 3.16Å
305	T	95.9	Very high	93.3	Very high	105 Å²	105	43.7 Å²	43.7	64%	0.644	22%	0.223	S	C	*	.	H	α-helix	trans	-71.2	-17.3	172.3	73.1	0	0	0	0	113.7	K301 F302 I303	K301-T305 WeakPolarHBondContact O-CG2 3.42Å; K301-T305 PolarHBondContact O-N 2.91Å; F302-T305 WeakPolarHBondContact O-CB 3.47Å; F302-T305 PolarHBondContact O-N 2.92Å; F302-T305 PolarHBondContact O-OG1 3.11Å; I303-T305 VanDerWaalsContact C-N 3.3Å; I303-T305 PolarHBondContact O-N 2.71Å
306	T	96.1	Very high	92.6	Very high	15 Å²	15	49.6 Å²	49.6	9%	0.092	25%	0.246	C	C	.	.	S	Bend	trans	-88.9	152.2	-175.1	75.8	0	0	0	0	112.3	K263 F302 I303 R304 Y308 W320 L352	K263-T306 PolarHBondContact NZ-O 3.17Å; F302-T306 HydrophobicContact CD1-CG2 4.48Å; F302-T306 HydrophobicContact CE1-CG2 3.91Å; F302-T306 HydrophobicContact CE2-CG2 4.5Å; F302-T306 HydrophobicContact CZ-CG2 3.93Å; I303-T306 PolarHBondContact O-N 2.74Å; I303-T306 VanDerWaalsContact O-N 3.08Å; I303-T306 PolarHBondContact O-OG1 2.89Å; R304-T306 PolarHBondContact O-N 3.16Å; T306-Y308 PolarHBondContact O-N 3.06Å; T306-W320 HydrophobicContact CG2-CZ2 4.21Å; T306-W320 PolarHBondContact OG1-NE1 3.4Å; T306-L352 HydrophobicContact CG2-CD1 4.16Å
307	K	95.4	Very high	92	Very high	155 Å²	155	55.2 Å²	55.2	67%	0.674	27%	0.272	S	S	*	.	S	Bend	trans	-70.3	-10.2	175.7	67.5	176.8	-176.7	173.8	0	114.5	E348	K307-E348 IonicContact NZ-OE1 2.83Å; K307-E348 PolarHBondContact NZ-OE1 3.14Å
308	Y	96.4	Very high	91.7	Very high	18 Å²	18	50.7 Å²	50.7	7%	0.071	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-85.3	130.9	-170.7	-56	-66.5	0	0	0	111.8	K263 T306 H319 W320 F339 L344 L352	K263-Y308 WeakPolarHBondContact CE-O 3.39Å; T306-Y308 PolarHBondContact O-N 3.06Å; Y308-H319 AromaticContact CD1-CD2 3.6Å; Y308-H319 AromaticContact CD1-NE2 3.8Å; Y308-W320 HydrophobicContact CD2-CZ2 4.36Å; Y308-W320 VanDerWaalsContact O-CD1 3.23Å; Y308-W320 PolarHBondContact O-NE1 3.09Å; Y308-F339 AromaticContact CD1-CZ 3.96Å; Y308-F339 HydrophobicContact CD1-CZ 3.96Å; Y308-F339 HydrophobicContact CD2-CE2 4.25Å; Y308-F339 HydrophobicContact CD2-CZ 4.17Å; Y308-F339 HydrophobicContact CE1-CZ 4.35Å; Y308-F339 HydrophobicContact CG-CE2 4.04Å; Y308-F339 AromaticContact CG-CZ 3.85Å; Y308-F339 HydrophobicContact CG-CZ 3.85Å; Y308-L344 HydrophobicContact CD1-CD1 3.9Å; Y308-L344 HydrophobicContact CE1-CD1 3.38Å; Y308-L344 HydrophobicContact CE1-CD2 3.73Å; Y308-L344 HydrophobicContact CE1-CG 4.22Å; Y308-L352 HydrophobicContact CD2-CD1 4.07Å; Y308-L352 HydrophobicContact CD2-CD2 3.93Å; Y308-L352 HydrophobicContact CE2-CB 4.07Å; Y308-L352 HydrophobicContact CE2-CD1 3.85Å; Y308-L352 HydrophobicContact CE2-CD2 3.73Å; Y308-L352 HydrophobicContact CE2-CG 4.08Å
309	S	94.5	Very high	91.5	Very high	55 Å²	55	51.2 Å²	51.2	39%	0.385	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-83.4	164.8	179.6	56.3	0	0	0	0	113.2	G318 H319 W320	S309-G318 WeakPolarHBondContact OG-CA 3.23Å; S309-H319 PolarHBondContact O-N 3.18Å; S309-W320 PolarHBondContact O-N 3.01Å; S309-W320 VanDerWaalsContact O-N 3.08Å
310	V	94.4	Very high	91.5	Very high	20 Å²	20	51.2 Å²	51.2	12%	0.121	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-68.4	143	172.9	-57	0	0	0	0	111.4	I254 V256 K263 G318	I254-V310 HydrophobicContact CG2-CG1 3.9Å; V256-V310 HydrophobicContact CG2-CG2 4.22Å; K263-V310 HydrophobicContact CB-CG1 4.13Å; K263-V310 HydrophobicContact CG-CG1 3.76Å; V310-G318 WeakPolarHBondContact O-CA 3.45Å
311	Y	90.6	Very high	91.3	Very high	27 Å²	27	50.9 Å²	50.9	11%	0.106	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-73.6	131.3	178.7	177.5	-102.7	0	0	0	111.5	P313 Y316 E317 W320 K321 N340	Y311-P313 HydrophobicContact CD1-CG 4.17Å; Y311-P313 HydrophobicContact CE1-CB 4.18Å; Y311-P313 HydrophobicContact CE1-CG 4.05Å; Y311-P313 WeakPolarHBondContact O-CD 3.26Å; Y311-Y316 VanDerWaalsContact OH-CD1 3.23Å; Y311-Y316 WeakPolarHBondContact OH-CD1 3.49Å; Y311-E317 CarbonylContact C-O 3.57Å; Y311-E317 VanDerWaalsContact CA-O 3.27Å; Y311-E317 WeakPolarHBondContact CA-O 3.48Å; Y311-E317 WeakPolarHBondContact CD2-O 3.49Å; Y311-W320 WeakPolarHBondContact CB-O 3.48Å; Y311-W320 PolarHBondContact N-O 3.33Å; Y311-K321 HydrophobicContact CD1-CD 3.88Å; Y311-K321 HydrophobicContact CD1-CG 3.61Å; Y311-K321 HydrophobicContact CD2-CD 4.36Å; Y311-K321 HydrophobicContact CD2-CG 4.32Å; Y311-K321 HydrophobicContact CE1-CD 4.27Å; Y311-K321 HydrophobicContact CE1-CG 4.46Å; Y311-K321 HydrophobicContact CG-CD 3.91Å; Y311-K321 HydrophobicContact CG-CG 3.51Å; Y311-N340 HydrophobicContact CD2-CB 4.11Å; Y311-N340 HydrophobicContact CE2-CB 4.48Å; Y311-N340 WeakPolarHBondContact CE2-ND2 2.92Å
312	S	84.9	Confident	91.2	Very high	34 Å²	34	48.7 Å²	48.7	24%	0.238	24%	0.243	C	C	.	.			trans	-100.2	113.8	172.8	175.6	0	0	0	0	109.8	E314 T315 Y316 E317	S312-E314 PolarHBondContact O-N 2.83Å; S312-E314 PolarHBondContact OG-N 2.83Å; S312-T315 VanDerWaalsContact CB-OG1 3.28Å; S312-T315 WeakPolarHBondContact CB-OG1 3.38Å; S312-T315 PolarHBondContact OG-N 3.37Å; S312-T315 PolarHBondContact OG-OG1 2.96Å; S312-Y316 WeakPolarHBondContact O-CA 3.31Å; S312-Y316 PolarHBondContact O-N 2.68Å; S312-E317 PolarHBondContact N-O 3.16Å
313	P	77.9	Confident	91.2	Very high	40 Å²	40	48.5 Å²	48.5	26%	0.26	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-11.4	172.7	-17.9	31.7	0	0	0	113.6	Y272 Y311	Y272-P313 HydrophobicContact CE2-CB 4.04Å; Y272-P313 HydrophobicContact CE2-CG 4.29Å; Y311-P313 HydrophobicContact CD1-CG 4.17Å; Y311-P313 HydrophobicContact CE1-CB 4.18Å; Y311-P313 HydrophobicContact CE1-CG 4.05Å; Y311-P313 WeakPolarHBondContact O-CD 3.26Å
314	E	75.4	Confident	91.2	Very high	48 Å²	48	48.8 Å²	48.8	22%	0.224	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-51.2	178.3	-62.8	177.3	-167.2	0	0	111.4	I142 S312	I142-E314 HydrophobicContact CD1-CG 4.21Å; S312-E314 PolarHBondContact O-N 2.83Å; S312-E314 PolarHBondContact OG-N 2.83Å
315	T	81.1	Confident	91.3	Very high	71 Å²	71	44.2 Å²	44.2	44%	0.436	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-13.4	-179	64.2	0	0	0	0	112.5	S312 E317	S312-T315 VanDerWaalsContact CB-OG1 3.28Å; S312-T315 WeakPolarHBondContact CB-OG1 3.38Å; S312-T315 PolarHBondContact OG-N 3.37Å; S312-T315 PolarHBondContact OG-OG1 2.96Å; T315-E317 PolarHBondContact O-N 2.61Å; T315-E317 WeakPolarHBondContact OG1-CB 3.36Å; T315-E317 PolarHBondContact OG1-N 2.76Å; T315-E317 PolarHBondContact OG1-OE2 2.98Å
316	Y	82.9	Confident	91.4	Very high	125 Å²	125	39.7 Å²	39.7	49%	0.49	20%	0.198	S	C	.	.			trans	61.3	17.3	-170	-59.1	-97.5	0	0	0	113.7	Y311 S312	Y311-Y316 VanDerWaalsContact OH-CD1 3.23Å; Y311-Y316 WeakPolarHBondContact OH-CD1 3.49Å; S312-Y316 WeakPolarHBondContact O-CA 3.31Å; S312-Y316 PolarHBondContact O-N 2.68Å
317	E	85.5	Confident	91.5	Very high	122 Å²	122	39.6 Å²	39.6	57%	0.57	20%	0.197	S	C	*	.			trans	-99.5	177.4	176.9	-59.5	171.9	157.5	0	0	111.2	Y311 S312 T315 Q342	Y311-E317 CarbonylContact C-O 3.57Å; Y311-E317 VanDerWaalsContact CA-O 3.27Å; Y311-E317 WeakPolarHBondContact CA-O 3.48Å; Y311-E317 WeakPolarHBondContact CD2-O 3.49Å; S312-E317 PolarHBondContact N-O 3.16Å; T315-E317 PolarHBondContact O-N 2.61Å; T315-E317 WeakPolarHBondContact OG1-CB 3.36Å; T315-E317 PolarHBondContact OG1-N 2.76Å; T315-E317 PolarHBondContact OG1-OE2 2.98Å; E317-Q342 VanDerWaalsContact C-NE2 3.29Å
318	G	90.7	Very high	91.6	Very high	4 Å²	4	32.8 Å²	32.8	4%	0.041	17%	0.169	C	C	.	.			trans	67.3	-178.5	-165.6	0	0	0	0	0	116.6	S309 V310 Q342	S309-G318 WeakPolarHBondContact OG-CA 3.23Å; V310-G318 WeakPolarHBondContact O-CA 3.45Å; G318-Q342 VanDerWaalsContact C-NE2 3.31Å; G318-Q342 VanDerWaalsContact CA-NE2 3.35Å; G318-Q342 PolarHBondContact O-NE2 2.82Å
319	H	95.2	Very high	91.5	Very high	21 Å²	21	37.6 Å²	37.6	10%	0.097	19%	0.187	C	C	.	.	S	Bend	trans	-127.7	-54.1	-166.7	-56.9	-74.1	0	0	0	113.9	Y308 S309 K321 F339 N340	Y308-H319 AromaticContact CD1-CD2 3.6Å; Y308-H319 AromaticContact CD1-NE2 3.8Å; S309-H319 PolarHBondContact O-N 3.18Å; H319-K321 PolarHBondContact O-N 2.9Å; H319-F339 HydrophobicContact CB-CD1 4.44Å; H319-F339 HydrophobicContact CB-CD2 3.89Å; H319-F339 HydrophobicContact CB-CE1 3.96Å; H319-F339 HydrophobicContact CB-CE2 3.35Å; H319-F339 HydrophobicContact CB-CG 4.43Å; H319-F339 HydrophobicContact CB-CZ 3.39Å; H319-F339 AromaticContact CG-CZ 3.73Å; H319-F339 AromaticContact ND1-CZ 3.98Å; H319-F339 CarbonylContact O-C 3.47Å; H319-F339 WeakPolarHBondContact O-CA 3.48Å; H319-N340 PolarHBondContact ND1-O 2.79Å; H319-N340 PolarHBondContact O-N 2.75Å
320	W	96.6	Very high	91.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	121.7	-175.5	-62.5	114	0	0	0	111.3	I254 F302 I303 T306 Y308 S309 Y311 I337 F339 L352 M356	I254-W320 HydrophobicContact CB-CB 4.1Å; I254-W320 HydrophobicContact CD1-CB 3.98Å; I254-W320 HydrophobicContact CG2-CB 3.75Å; F302-W320 HydrophobicContact CE1-CH2 4.32Å; I303-W320 HydrophobicContact CB-CD2 4.37Å; I303-W320 HydrophobicContact CB-CZ2 4.25Å; I303-W320 HydrophobicContact CG2-CD2 3.94Å; I303-W320 HydrophobicContact CG2-CE3 4.15Å; I303-W320 HydrophobicContact CG2-CH2 4.02Å; I303-W320 HydrophobicContact CG2-CZ2 3.76Å; I303-W320 HydrophobicContact CG2-CZ3 4.23Å; T306-W320 HydrophobicContact CG2-CZ2 4.21Å; T306-W320 PolarHBondContact OG1-NE1 3.4Å; Y308-W320 HydrophobicContact CD2-CZ2 4.36Å; Y308-W320 VanDerWaalsContact O-CD1 3.23Å; Y308-W320 PolarHBondContact O-NE1 3.09Å; S309-W320 PolarHBondContact O-N 3.01Å; S309-W320 VanDerWaalsContact O-N 3.08Å; Y311-W320 WeakPolarHBondContact CB-O 3.48Å; Y311-W320 PolarHBondContact N-O 3.33Å; W320-I337 HydrophobicContact CE3-CD1 3.84Å; W320-I337 HydrophobicContact CE3-CG1 3.66Å; W320-I337 HydrophobicContact CZ3-CD1 4.04Å; W320-I337 HydrophobicContact CZ3-CG1 3.41Å; W320-I337 VanDerWaalsContact CZ3-CG1 3.41Å; W320-F339 AromaticContact CD2-CD2 3.83Å; W320-F339 HydrophobicContact CD2-CD2 3.83Å; W320-F339 AromaticContact CD2-CE2 3.96Å; W320-F339 HydrophobicContact CD2-CE2 3.96Å; W320-F339 AromaticContact CE2-CE2 3.92Å; W320-F339 AromaticContact CE3-CD2 3.47Å; W320-F339 HydrophobicContact CE3-CD2 3.47Å; W320-F339 VanDerWaalsContact CE3-CD2 3.47Å; W320-F339 HydrophobicContact CE3-CE2 4.02Å; W320-F339 AromaticContact CH2-CD2 3.98Å; W320-F339 HydrophobicContact CH2-CD2 3.98Å; W320-F339 HydrophobicContact CH2-CE2 4.02Å; W320-F339 HydrophobicContact CZ2-CD2 4.32Å; W320-F339 AromaticContact CZ2-CE2 3.98Å; W320-F339 HydrophobicContact CZ2-CE2 3.98Å; W320-F339 AromaticContact CZ3-CD2 3.51Å; W320-F339 HydrophobicContact CZ3-CD2 3.51Å; W320-F339 HydrophobicContact CZ3-CE2 4.01Å; W320-L352 HydrophobicContact CH2-CD1 3.92Å; W320-L352 HydrophobicContact CH2-CD2 3.89Å; W320-L352 HydrophobicContact CH2-CG 4.32Å; W320-L352 HydrophobicContact CZ2-CD1 4.02Å; W320-L352 HydrophobicContact CZ2-CD2 4.24Å; W320-M356 HydrophobicContact CH2-SD 4.42Å
321	K	93.6	Very high	91.5	Very high	29 Å²	29	43.6 Å²	43.6	13%	0.126	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-57.7	-174.3	-72.2	179.3	63.6	170.8	0	113.4	I254 Y311 H319 F338 N340 E378	I254-K321 PolarHBondContact N-O 2.93Å; Y311-K321 HydrophobicContact CD1-CD 3.88Å; Y311-K321 HydrophobicContact CD1-CG 3.61Å; Y311-K321 HydrophobicContact CD2-CD 4.36Å; Y311-K321 HydrophobicContact CD2-CG 4.32Å; Y311-K321 HydrophobicContact CE1-CD 4.27Å; Y311-K321 HydrophobicContact CE1-CG 4.46Å; Y311-K321 HydrophobicContact CG-CD 3.91Å; Y311-K321 HydrophobicContact CG-CG 3.51Å; H319-K321 PolarHBondContact O-N 2.9Å; K321-F338 HydrophobicContact CB-CB 4.19Å; K321-F338 WeakPolarHBondContact CB-O 3.46Å; K321-F338 PolarHBondContact N-O 2.93Å; K321-N340 HydrophobicContact CD-CB 4.05Å; K321-E378 HydrophobicContact CD-CB 4.39Å; K321-E378 VanDerWaalsContact CE-CD 3.48Å; K321-E378 WeakPolarHBondContact CE-OE2 3.39Å; K321-E378 VanDerWaalsContact NZ-CG 3.28Å; K321-E378 IonicContact NZ-OE1 2.76Å; K321-E378 PolarHBondContact NZ-OE1 2.87Å; K321-E378 IonicContact NZ-OE2 2.75Å; K321-E378 PolarHBondContact NZ-OE2 3.36Å
322	Q	95.6	Very high	91.8	Very high	33 Å²	33	43.7 Å²	43.7	15%	0.154	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	142.4	-168.6	-172.6	-177.4	-66.5	0	0	109.6	F252 T324 I337 F338	F252-Q322 CarbonylContact O-C 2.89Å; F252-Q322 VanDerWaalsContact O-CA 3.24Å; F252-Q322 WeakPolarHBondContact O-CA 3.4Å; F252-Q322 WeakPolarHBondContact O-CG 3.38Å; Q322-T324 PolarHBondContact NE2-OG1 2.79Å; Q322-T324 VanDerWaalsContact NE2-OG1 3.15Å; Q322-I337 WeakPolarHBondContact O-CD1 3.42Å; Q322-F338 HydrophobicContact CB-CB 4.08Å; Q322-F338 HydrophobicContact CB-CD2 4.09Å; Q322-F338 HydrophobicContact CB-CG 4.3Å; Q322-F338 HydrophobicContact CG-CD2 4.45Å; Q322-F338 PolarHBondContact O-N 3.16Å
323	L	98.1	Very high	92.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.7	167	176.2	66.1	0	0	0	108.3	F252 I254 I265 V296 F299 V325 A335 I337	F252-L323 PolarHBondContact N-O 2.82Å; F252-L323 PolarHBondContact O-N 2.98Å; I254-L323 HydrophobicContact CD1-CB 4.37Å; I265-L323 HydrophobicContact CD1-CD2 4.13Å; I265-L323 HydrophobicContact CG2-CB 4.22Å; I265-L323 HydrophobicContact CG2-CD2 4.14Å; V296-L323 HydrophobicContact CG2-CD2 4.32Å; F299-L323 HydrophobicContact CB-CD2 3.71Å; F299-L323 HydrophobicContact CD1-CD1 4.16Å; F299-L323 HydrophobicContact CD1-CD2 4.28Å; F299-L323 HydrophobicContact CD2-CD1 4.09Å; F299-L323 HydrophobicContact CD2-CD2 3.98Å; F299-L323 HydrophobicContact CE1-CD1 4.03Å; F299-L323 HydrophobicContact CE2-CD1 3.96Å; F299-L323 HydrophobicContact CG-CD1 4.16Å; F299-L323 HydrophobicContact CG-CD2 3.73Å; F299-L323 HydrophobicContact CZ-CD1 3.89Å; L323-V325 HydrophobicContact CD1-CG2 4.45Å; L323-V325 HydrophobicContact CD2-CG2 3.92Å; L323-V325 HydrophobicContact CG-CG2 3.85Å; L323-A335 HydrophobicContact CD1-CB 4.18Å; L323-I337 HydrophobicContact CB-CD1 4.11Å; L323-I337 HydrophobicContact CD1-CD1 4.14Å
324	T	98.1	Very high	93.4	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.4	168.3	-60	0	0	0	0	108.7	K249 C250 E251 Q322 A335 I336	K249-T324 HydrophobicContact CG-CG2 4.38Å; C250-T324 CarbonylContact O-C 3.45Å; C250-T324 WeakPolarHBondContact O-CA 3.5Å; E251-T324 HydrophobicContact CG-CG2 4.04Å; Q322-T324 PolarHBondContact NE2-OG1 2.79Å; Q322-T324 VanDerWaalsContact NE2-OG1 3.15Å; T324-A335 WeakPolarHBondContact O-CA 3.4Å; T324-I336 HydrophobicContact CG2-CD1 4.29Å; T324-I336 PolarHBondContact N-O 2.8Å; T324-I336 PolarHBondContact O-N 2.88Å
325	V	98.4	Very high	94.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.7	176.3	-175.6	0	0	0	0	109	K249 C250 F252 A292 V295 V296 L323 T327 M334	K249-V325 CarbonylContact C-O 3.58Å; K249-V325 WeakPolarHBondContact CA-O 3.23Å; C250-V325 PolarHBondContact N-O 3.28Å; C250-V325 PolarHBondContact O-N 2.89Å; F252-V325 HydrophobicContact CD2-CG2 4.1Å; F252-V325 HydrophobicContact CE2-CB 4.09Å; F252-V325 HydrophobicContact CE2-CG2 3.86Å; A292-V325 HydrophobicContact CB-CB 4.49Å; A292-V325 HydrophobicContact CB-CG1 4.02Å; V295-V325 HydrophobicContact CB-CG1 3.93Å; V295-V325 HydrophobicContact CB-CG2 4.27Å; V295-V325 HydrophobicContact CG1-CB 4.36Å; V295-V325 HydrophobicContact CG1-CG1 3.8Å; V295-V325 HydrophobicContact CG1-CG2 3.57Å; V295-V325 HydrophobicContact CG2-CG1 4.14Å; V296-V325 HydrophobicContact CG2-CG2 4.31Å; L323-V325 HydrophobicContact CD1-CG2 4.45Å; L323-V325 HydrophobicContact CD2-CG2 3.92Å; L323-V325 HydrophobicContact CG-CG2 3.85Å; V325-T327 HydrophobicContact CG1-CG2 4.14Å; V325-M334 CarbonylContact C-O 3.51Å; V325-M334 WeakPolarHBondContact CA-O 3.43Å
326	R	98.4	Very high	95.3	Very high	11 Å²	11	35 Å²	35	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.7	166.9	-56.4	-178.6	-178.8	-139.1	3	109.7	N248 K249 A333 M334 I400 P413 S415	N248-R326 CarbonylContact O-C 3.51Å; N248-R326 WeakPolarHBondContact O-CA 3.49Å; K249-R326 HydrophobicContact CB-CG 4.14Å; K249-R326 HydrophobicContact CG-CG 3.99Å; R326-A333 CarbonylContact O-C 3.5Å; R326-A333 VanDerWaalsContact O-CA 3.3Å; R326-A333 WeakPolarHBondContact O-CA 3.12Å; R326-M334 HydrophobicContact CB-CB 4.22Å; R326-M334 PolarHBondContact N-O 3.17Å; R326-M334 PolarHBondContact O-N 3.27Å; R326-I400 HydrophobicContact CB-CD1 3.6Å; R326-P413 PolarHBondContact NH2-O 2.9Å; R326-S415 PolarHBondContact NH1-O 3.41Å; R326-S415 PolarHBondContact NH2-O 2.91Å
327	T	97.8	Very high	96	Very high	12 Å²	12	29 Å²	29	7%	0.074	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	154.3	178.2	56.1	0	0	0	0	108.6	N248 S289 E291 A292 V325 Q332 A333	N248-T327 WeakPolarHBondContact CB-O 3.48Å; N248-T327 PolarHBondContact O-N 2.78Å; S289-T327 PolarHBondContact OG-OG1 2.59Å; E291-T327 HydrophobicContact CB-CG2 3.64Å; A292-T327 HydrophobicContact CB-CG2 4.2Å; V325-T327 HydrophobicContact CG1-CG2 4.14Å; T327-Q332 CarbonylContact C-O 3.57Å; T327-Q332 WeakPolarHBondContact CA-O 3.43Å; T327-A333 HydrophobicContact CG2-CB 4.32Å
328	T	97.1	Very high	96.5	Very high	12 Å²	12	23.7 Å²	23.7	7%	0.074	11%	0.11	C	C	.	.			trans	-130.4	159.3	-178.3	65.3	0	0	0	0	111.4	T330 K331 Q332 I400 H401 E402	T328-T330 PolarHBondContact O-N 2.69Å; T328-T330 PolarHBondContact OG1-OG1 2.73Å; T328-K331 PolarHBondContact O-N 3.34Å; T328-K331 VanDerWaalsContact O-N 3.1Å; T328-Q332 PolarHBondContact N-O 2.99Å; T328-Q332 WeakPolarHBondContact OG1-CB 3.1Å; T328-Q332 PolarHBondContact OG1-N 3.26Å; T328-Q332 VanDerWaalsContact OG1-N 3.07Å; T328-Q332 PolarHBondContact OG1-O 2.81Å; T328-I400 HydrophobicContact CG2-CB 4.18Å; T328-I400 HydrophobicContact CG2-CD1 3.73Å; T328-I400 HydrophobicContact CG2-CG1 3.95Å; T328-H401 VanDerWaalsContact CB-O 3.32Å; T328-H401 WeakPolarHBondContact CB-O 3.3Å; T328-H401 WeakPolarHBondContact CG2-O 3.47Å; T328-H401 PolarHBondContact OG1-O 2.85Å; T328-E402 VanDerWaalsContact CA-OE2 3.29Å; T328-E402 WeakPolarHBondContact CA-OE2 3.35Å; T328-E402 HydrophobicContact CG2-CB 4.22Å
329	R	94.4	Very high	96.8	Very high	120 Å²	120	23.5 Å²	23.5	45%	0.453	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.2	172.8	-61.5	-171.3	-71.6	-170.3	1.5	112.1	K331 E402 E403 T421 E425	R329-K331 PolarHBondContact O-N 3.23Å; R329-E402 WeakPolarHBondContact CB-OE1 3.32Å; R329-E402 PolarHBondContact N-OE1 3.25Å; R329-E402 VanDerWaalsContact N-OE1 3.1Å; R329-E402 PolarHBondContact N-OE2 2.77Å; R329-E402 IonicContact NE-OE1 3.83Å; R329-E403 PolarHBondContact NH2-O 3.25Å; R329-T421 VanDerWaalsContact NH2-CG2 3.29Å; R329-E425 IonicContact CZ-OE1 2.76Å; R329-E425 IonicContact CZ-OE2 3.92Å; R329-E425 IonicContact NH1-OE1 3.48Å; R329-E425 IonicContact NH1-OE2 3.31Å; R329-E425 PolarHBondContact NH1-OE2 3.23Å; R329-E425 VanDerWaalsContact NH2-CD 3.27Å; R329-E425 IonicContact NH2-OE1 3.05Å; R329-E425 PolarHBondContact NH2-OE1 3.29Å; R329-E425 IonicContact NH2-OE2 2.66Å; R329-E425 PolarHBondContact NH2-OE2 2.87Å
330	T	94.4	Very high	96.7	Very high	51 Å²	51	23 Å²	23	31%	0.313	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	7.7	173.7	65.4	0	0	0	0	114.1	T328 Q332 H401 E403	T328-T330 PolarHBondContact O-N 2.69Å; T328-T330 PolarHBondContact OG1-OG1 2.73Å; T330-Q332 VanDerWaalsContact C-N 3.3Å; T330-Q332 PolarHBondContact O-N 3.04Å; T330-H401 PolarHBondContact OG1-O 3.12Å; T330-E403 HydrophobicContact CG2-CG 4.03Å
331	K	94.9	Very high	96.5	Very high	149 Å²	149	24.2 Å²	24.2	65%	0.648	11%	0.114	S	C	*	.	S	Bend	trans	65.4	27.2	178.3	-53.6	-59.1	-172	-178.6	0	114.4	E291 T328 R329	E291-K331 IonicContact OE1-NZ 2.91Å; E291-K331 PolarHBondContact OE1-NZ 3.21Å; T328-K331 PolarHBondContact O-N 3.34Å; T328-K331 VanDerWaalsContact O-N 3.1Å; R329-K331 PolarHBondContact O-N 3.23Å
332	Q	97.5	Very high	96.4	Very high	29 Å²	29	27 Å²	27	14%	0.136	13%	0.127	C	C	.	.			trans	-94.6	148.7	167.8	-63.7	-169.1	-48.6	0	0	110.5	T327 T328 T330 E397 I400 H401	T327-Q332 CarbonylContact C-O 3.57Å; T327-Q332 WeakPolarHBondContact CA-O 3.43Å; T328-Q332 PolarHBondContact N-O 2.99Å; T328-Q332 WeakPolarHBondContact OG1-CB 3.1Å; T328-Q332 PolarHBondContact OG1-N 3.26Å; T328-Q332 VanDerWaalsContact OG1-N 3.07Å; T328-Q332 PolarHBondContact OG1-O 2.81Å; T330-Q332 VanDerWaalsContact C-N 3.3Å; T330-Q332 PolarHBondContact O-N 3.04Å; Q332-E397 PolarHBondContact NE2-OE1 2.98Å; Q332-E397 PolarHBondContact NE2-OE2 2.88Å; Q332-I400 HydrophobicContact CB-CB 4.13Å; Q332-I400 HydrophobicContact CB-CG2 3.99Å; Q332-H401 PolarHBondContact OE1-ND1 2.96Å
333	A	97.9	Very high	96.1	Very high	6 Å²	6	35 Å²	35	5%	0.05	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	128.1	177.4	0	0	0	0	0	110.9	V295 R326 T327 T371 S372	V295-A333 HydrophobicContact CG2-CB 4.31Å; R326-A333 CarbonylContact O-C 3.5Å; R326-A333 VanDerWaalsContact O-CA 3.3Å; R326-A333 WeakPolarHBondContact O-CA 3.12Å; T327-A333 HydrophobicContact CG2-CB 4.32Å; A333-T371 PolarHBondContact N-OG1 2.96Å; A333-T371 VanDerWaalsContact N-OG1 3.13Å; A333-T371 PolarHBondContact O-N 2.94Å; A333-T371 PolarHBondContact O-OG1 3.42Å; A333-S372 PolarHBondContact O-N 3.19Å; A333-S372 VanDerWaalsContact O-N 3.09Å
334	M	98.5	Very high	95.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.1	176	-178.2	-171.2	-70.4	0	0	110.1	V325 R326 I336 S372 I400 P413	V325-M334 CarbonylContact C-O 3.51Å; V325-M334 WeakPolarHBondContact CA-O 3.43Å; R326-M334 HydrophobicContact CB-CB 4.22Å; R326-M334 PolarHBondContact N-O 3.17Å; R326-M334 PolarHBondContact O-N 3.27Å; M334-I336 HydrophobicContact CG-CG1 4.05Å; M334-I336 HydrophobicContact SD-CD1 3.92Å; M334-I336 HydrophobicContact SD-CG1 4.04Å; M334-S372 CarbonylContact C-O 3.57Å; M334-S372 WeakPolarHBondContact CA-O 3.3Å; M334-I400 HydrophobicContact CB-CD1 3.93Å; M334-I400 HydrophobicContact CB-CG2 3.83Å; M334-I400 HydrophobicContact CE-CB 4.44Å; M334-I400 HydrophobicContact CE-CD1 4.31Å; M334-I400 HydrophobicContact CE-CG1 4.06Å; M334-I400 HydrophobicContact CE-CG2 4.02Å; M334-P413 HydrophobicContact CE-CG 4.14Å; M334-P413 HydrophobicContact SD-CB 4.02Å; M334-P413 HydrophobicContact SD-CG 3.97Å
335	A	98.4	Very high	95.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.4	171.6	0	0	0	0	0	109.8	V295 F299 L323 T324 I370 S372 L373 H374	V295-A335 HydrophobicContact CG1-CB 4.22Å; F299-A335 HydrophobicContact CD2-CB 4.33Å; F299-A335 HydrophobicContact CE2-CB 3.42Å; F299-A335 VanDerWaalsContact CE2-CB 3.42Å; F299-A335 HydrophobicContact CZ-CB 3.99Å; L323-A335 HydrophobicContact CD1-CB 4.18Å; T324-A335 WeakPolarHBondContact O-CA 3.4Å; A335-I370 HydrophobicContact CB-CD1 3.98Å; A335-I370 HydrophobicContact CB-CG1 4.24Å; A335-I370 HydrophobicContact CB-CG2 4.38Å; A335-S372 PolarHBondContact N-O 3Å; A335-L373 HydrophobicContact CB-CD1 4.03Å; A335-H374 PolarHBondContact O-N 2.85Å
336	I	98.1	Very high	95.4	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	110.9	178.5	-47.9	164.5	0	0	0	107.4	T324 M334 F338 H374 V376 P413	T324-I336 HydrophobicContact CG2-CD1 4.29Å; T324-I336 PolarHBondContact N-O 2.8Å; T324-I336 PolarHBondContact O-N 2.88Å; M334-I336 HydrophobicContact CG-CG1 4.05Å; M334-I336 HydrophobicContact SD-CD1 3.92Å; M334-I336 HydrophobicContact SD-CG1 4.04Å; I336-F338 HydrophobicContact CB-CE2 4.37Å; I336-F338 HydrophobicContact CG2-CD2 4.48Å; I336-F338 HydrophobicContact CG2-CE2 3.82Å; I336-F338 HydrophobicContact CG2-CZ 4.2Å; I336-H374 HydrophobicContact CB-CB 4.32Å; I336-H374 HydrophobicContact CG1-CB 4.13Å; I336-H374 HydrophobicContact CG2-CB 4.09Å; I336-V376 HydrophobicContact CG2-CG2 3.61Å; I336-P413 HydrophobicContact CD1-CB 3.72Å; I336-P413 HydrophobicContact CG1-CB 4.34Å
337	I	97.8	Very high	95.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.3	-179.6	-165.7	59.8	0	0	0	110.6	I254 F299 W320 Q322 L323 M356 H374 F375 V376	I254-I337 HydrophobicContact CD1-CD1 3.49Å; I254-I337 VanDerWaalsContact CD1-CD1 3.49Å; F299-I337 HydrophobicContact CE1-CB 4.21Å; F299-I337 HydrophobicContact CE1-CD1 4.22Å; F299-I337 HydrophobicContact CE1-CG1 4.23Å; W320-I337 HydrophobicContact CE3-CD1 3.84Å; W320-I337 HydrophobicContact CE3-CG1 3.66Å; W320-I337 HydrophobicContact CZ3-CD1 4.04Å; W320-I337 HydrophobicContact CZ3-CG1 3.41Å; W320-I337 VanDerWaalsContact CZ3-CG1 3.41Å; Q322-I337 WeakPolarHBondContact O-CD1 3.42Å; L323-I337 HydrophobicContact CB-CD1 4.11Å; L323-I337 HydrophobicContact CD1-CD1 4.14Å; I337-M356 HydrophobicContact CB-CE 4.46Å; I337-M356 HydrophobicContact CG2-CE 3.61Å; I337-M356 HydrophobicContact CG2-SD 4.3Å; I337-H374 WeakPolarHBondContact CG2-O 3.37Å; I337-H374 PolarHBondContact N-O 2.67Å; I337-F375 HydrophobicContact CG2-CB 4.14Å; I337-F375 HydrophobicContact CG2-CD2 3.36Å; I337-F375 HydrophobicContact CG2-CE2 4.05Å; I337-F375 HydrophobicContact CG2-CG 3.99Å; I337-V376 PolarHBondContact O-N 3.03Å
338	F	95.8	Very high	95.2	Very high	11 Å²	11	54.4 Å²	54.4	5%	0.048	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.4	175.1	-67	-103.3	0	0	0	109.1	K321 Q322 I336 V376 L386	K321-F338 HydrophobicContact CB-CB 4.19Å; K321-F338 WeakPolarHBondContact CB-O 3.46Å; K321-F338 PolarHBondContact N-O 2.93Å; Q322-F338 HydrophobicContact CB-CB 4.08Å; Q322-F338 HydrophobicContact CB-CD2 4.09Å; Q322-F338 HydrophobicContact CB-CG 4.3Å; Q322-F338 HydrophobicContact CG-CD2 4.45Å; Q322-F338 PolarHBondContact O-N 3.16Å; I336-F338 HydrophobicContact CB-CE2 4.37Å; I336-F338 HydrophobicContact CG2-CD2 4.48Å; I336-F338 HydrophobicContact CG2-CE2 3.82Å; I336-F338 HydrophobicContact CG2-CZ 4.2Å; F338-V376 HydrophobicContact CD1-CB 3.81Å; F338-V376 HydrophobicContact CD1-CG1 3.69Å; F338-V376 HydrophobicContact CD1-CG2 4.42Å; F338-V376 HydrophobicContact CE1-CB 3.95Å; F338-V376 HydrophobicContact CE1-CG1 3.72Å; F338-V376 HydrophobicContact CE1-CG2 4.11Å; F338-V376 HydrophobicContact CG-CB 4.26Å; F338-V376 HydrophobicContact CZ-CG2 4.24Å; F338-L386 HydrophobicContact CD1-CD2 4.29Å; F338-L386 HydrophobicContact CE1-CD2 4.05Å
339	F	95.6	Very high	95.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	129.4	-171.4	-171.4	-90.8	0	0	0	111.1	Y308 H319 W320 P341 L344 L349 L352 F375 V376 R377 E378	Y308-F339 AromaticContact CD1-CZ 3.96Å; Y308-F339 HydrophobicContact CD1-CZ 3.96Å; Y308-F339 HydrophobicContact CD2-CE2 4.25Å; Y308-F339 HydrophobicContact CD2-CZ 4.17Å; Y308-F339 HydrophobicContact CE1-CZ 4.35Å; Y308-F339 HydrophobicContact CG-CE2 4.04Å; Y308-F339 AromaticContact CG-CZ 3.85Å; Y308-F339 HydrophobicContact CG-CZ 3.85Å; H319-F339 HydrophobicContact CB-CD1 4.44Å; H319-F339 HydrophobicContact CB-CD2 3.89Å; H319-F339 HydrophobicContact CB-CE1 3.96Å; H319-F339 HydrophobicContact CB-CE2 3.35Å; H319-F339 HydrophobicContact CB-CG 4.43Å; H319-F339 HydrophobicContact CB-CZ 3.39Å; H319-F339 AromaticContact CG-CZ 3.73Å; H319-F339 AromaticContact ND1-CZ 3.98Å; H319-F339 CarbonylContact O-C 3.47Å; H319-F339 WeakPolarHBondContact O-CA 3.48Å; W320-F339 AromaticContact CD2-CD2 3.83Å; W320-F339 HydrophobicContact CD2-CD2 3.83Å; W320-F339 AromaticContact CD2-CE2 3.96Å; W320-F339 HydrophobicContact CD2-CE2 3.96Å; W320-F339 AromaticContact CE2-CE2 3.92Å; W320-F339 AromaticContact CE3-CD2 3.47Å; W320-F339 HydrophobicContact CE3-CD2 3.47Å; W320-F339 VanDerWaalsContact CE3-CD2 3.47Å; W320-F339 HydrophobicContact CE3-CE2 4.02Å; W320-F339 AromaticContact CH2-CD2 3.98Å; W320-F339 HydrophobicContact CH2-CD2 3.98Å; W320-F339 HydrophobicContact CH2-CE2 4.02Å; W320-F339 HydrophobicContact CZ2-CD2 4.32Å; W320-F339 AromaticContact CZ2-CE2 3.98Å; W320-F339 HydrophobicContact CZ2-CE2 3.98Å; W320-F339 AromaticContact CZ3-CD2 3.51Å; W320-F339 HydrophobicContact CZ3-CD2 3.51Å; W320-F339 HydrophobicContact CZ3-CE2 4.01Å; F339-P341 WeakPolarHBondContact O-CD 3.07Å; F339-L344 HydrophobicContact CE1-CD1 3.71Å; F339-L344 HydrophobicContact CZ-CD1 3.88Å; F339-L349 HydrophobicContact CD1-CD2 4.16Å; F339-L349 HydrophobicContact CE1-CD2 3.77Å; F339-L352 HydrophobicContact CD2-CD2 4.15Å; F339-L352 HydrophobicContact CE1-CD2 4.22Å; F339-L352 HydrophobicContact CE2-CD2 3.58Å; F339-L352 HydrophobicContact CZ-CD2 3.62Å; F339-F375 HydrophobicContact CB-CE1 3.92Å; F339-F375 HydrophobicContact CB-CE2 3.83Å; F339-F375 HydrophobicContact CB-CZ 3.36Å; F339-F375 HydrophobicContact CD1-CE1 4.32Å; F339-F375 HydrophobicContact CD1-CE2 4.49Å; F339-F375 AromaticContact CD1-CZ 3.6Å; F339-F375 HydrophobicContact CD1-CZ 3.6Å; F339-F375 HydrophobicContact CD2-CE2 4.41Å; F339-F375 HydrophobicContact CD2-CZ 4.25Å; F339-F375 HydrophobicContact CE1-CZ 4.38Å; F339-F375 HydrophobicContact CG-CE1 4.37Å; F339-F375 HydrophobicContact CG-CE2 4.03Å; F339-F375 AromaticContact CG-CZ 3.49Å; F339-F375 HydrophobicContact CG-CZ 3.49Å; F339-F375 VanDerWaalsContact CG-CZ 3.49Å; F339-V376 PolarHBondContact N-O 3.35Å; F339-R377 WeakPolarHBondContact O-CA 3.4Å; F339-E378 PolarHBondContact O-N 3.43Å
340	N	94.3	Very high	95.2	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.048	25%	0.25	C	C	.	.			trans	-86.9	112.9	172.3	-174.3	-13.9	0	0	0	109.8	Y311 H319 K321 Q342 E378	Y311-N340 HydrophobicContact CD2-CB 4.11Å; Y311-N340 HydrophobicContact CE2-CB 4.48Å; Y311-N340 WeakPolarHBondContact CE2-ND2 2.92Å; H319-N340 PolarHBondContact ND1-O 2.79Å; H319-N340 PolarHBondContact O-N 2.75Å; K321-N340 HydrophobicContact CD-CB 4.05Å; N340-Q342 PolarHBondContact O-N 3.47Å; N340-Q342 PolarHBondContact OD1-N 2.78Å; N340-E378 WeakPolarHBondContact CA-O 3.41Å; N340-E378 WeakPolarHBondContact CB-O 3.36Å
341	P	92.8	Very high	95.4	Very high	27 Å²	27	50.6 Å²	50.6	18%	0.175	26%	0.257	C	S	.	.			trans	-67.3	-23.1	-177.5	28.2	-35.2	0	0	0	113.1	F339 K343 L344 L349	F339-P341 WeakPolarHBondContact O-CD 3.07Å; P341-K343 PolarHBondContact O-N 2.93Å; P341-K343 VanDerWaalsContact O-N 3.16Å; P341-L344 VanDerWaalsContact O-CB 3.23Å; P341-L344 WeakPolarHBondContact O-CB 3.37Å; P341-L344 WeakPolarHBondContact O-CD1 3.33Å; P341-L344 WeakPolarHBondContact O-CG 3.46Å; P341-L344 PolarHBondContact O-N 2.84Å; P341-L349 HydrophobicContact CB-CD1 4.03Å; P341-L349 HydrophobicContact CB-CD2 4.17Å
342	Q	89.8	Confident	95.5	Very high	86 Å²	86	43.7 Å²	43.7	40%	0.402	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.2	-118.5	-168.8	-60	-167.4	14.9	0	0	112.9	E317 G318 N340	E317-Q342 VanDerWaalsContact C-NE2 3.29Å; G318-Q342 VanDerWaalsContact C-NE2 3.31Å; G318-Q342 VanDerWaalsContact CA-NE2 3.35Å; G318-Q342 PolarHBondContact O-NE2 2.82Å; N340-Q342 PolarHBondContact O-N 3.47Å; N340-Q342 PolarHBondContact OD1-N 2.78Å
343	K	90.7	Very high	95.5	Very high	202 Å²	202	43.2 Å²	43.2	88%	0.878	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	11.8	-178.9	-58.6	-178.4	-178.7	177.9	0	112.6	P341	P341-K343 PolarHBondContact O-N 2.93Å; P341-K343 VanDerWaalsContact O-N 3.16Å
344	L	92.6	Very high	95.5	Very high	33 Å²	33	47.7 Å²	47.7	17%	0.173	25%	0.248	C	C	.	.			trans	-68.5	139.9	179.7	-64.7	171.3	0	0	0	110.9	Y308 F339 P341 E348 L349	Y308-L344 HydrophobicContact CD1-CD1 3.9Å; Y308-L344 HydrophobicContact CE1-CD1 3.38Å; Y308-L344 HydrophobicContact CE1-CD2 3.73Å; Y308-L344 HydrophobicContact CE1-CG 4.22Å; F339-L344 HydrophobicContact CE1-CD1 3.71Å; F339-L344 HydrophobicContact CZ-CD1 3.88Å; P341-L344 VanDerWaalsContact O-CB 3.23Å; P341-L344 WeakPolarHBondContact O-CB 3.37Å; P341-L344 WeakPolarHBondContact O-CD1 3.33Å; P341-L344 WeakPolarHBondContact O-CG 3.46Å; P341-L344 PolarHBondContact O-N 2.84Å; L344-E348 HydrophobicContact CB-CB 4.46Å; L344-E348 HydrophobicContact CD2-CB 4.43Å; L344-E348 VanDerWaalsContact CD2-OE2 3.25Å; L344-E348 WeakPolarHBondContact CD2-OE2 3.27Å; L344-L349 HydrophobicContact CB-CD2 4.33Å; L344-L349 HydrophobicContact CB-CG 4.38Å; L344-L349 HydrophobicContact CD1-CD2 4.17Å
345	E	93.8	Very high	95.4	Very high	135 Å²	135	50 Å²	50	63%	0.631	26%	0.264	S	S	*	.			trans	-78.3	159.6	175.4	-62.8	-172.7	175	0	0	111.7	V347 E348 L349	E345-V347 PolarHBondContact O-N 2.85Å; E345-E348 PolarHBondContact N-OE2 3.38Å; E345-E348 WeakPolarHBondContact O-CB 3.23Å; E345-E348 PolarHBondContact O-N 2.86Å; E345-L349 PolarHBondContact O-N 3.48Å; E345-L349 VanDerWaalsContact O-N 3.07Å
346	E	93.8	Very high	95.4	Very high	104 Å²	104	50 Å²	50	49%	0.486	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-30.6	178.2	-73.4	-60.3	156.3	0	0	113.4	L349 S350 R377	E346-L349 PolarHBondContact O-N 3.25Å; E346-S350 VanDerWaalsContact O-CB 3.24Å; E346-S350 WeakPolarHBondContact O-CB 3.12Å; E346-S350 PolarHBondContact O-N 3.14Å; E346-S350 PolarHBondContact O-OG 3.26Å; E346-R377 VanDerWaalsContact CD-NH1 3.29Å; E346-R377 IonicContact OE1-CZ 3.09Å; E346-R377 IonicContact OE1-NH1 2.91Å; E346-R377 PolarHBondContact OE1-NH1 3.13Å; E346-R377 IonicContact OE1-NH2 3.59Å; E346-R377 IonicContact OE2-CZ 2.77Å; E346-R377 IonicContact OE2-NH1 3.87Å; E346-R377 PolarHBondContact OE2-NH1 3.16Å; E346-R377 VanDerWaalsContact OE2-NH1 3.11Å; E346-R377 IonicContact OE2-NH2 2.6Å; E346-R377 PolarHBondContact OE2-NH2 3.25Å
347	V	96	Very high	95.3	Very high	109 Å²	109	54.2 Å²	54.2	66%	0.661	28%	0.282	S	S	*	.	H	α-helix	trans	-65.8	-42.1	176.6	-179.2	0	0	0	0	110.5	E345 S350 A351	E345-V347 PolarHBondContact O-N 2.85Å; V347-S350 PolarHBondContact O-N 3.44Å; V347-A351 WeakPolarHBondContact O-CB 3.49Å; V347-A351 PolarHBondContact O-N 3.4Å
348	E	95.8	Very high	95.3	Very high	56 Å²	56	57.5 Å²	57.5	26%	0.262	30%	0.303	S	S	.	.	H	α-helix	trans	-68	-42.2	177.3	-64.3	-172.4	93.7	0	0	111.7	K307 L344 E345 S350 A351 L352	K307-E348 IonicContact NZ-OE1 2.83Å; K307-E348 PolarHBondContact NZ-OE1 3.14Å; L344-E348 HydrophobicContact CB-CB 4.46Å; L344-E348 HydrophobicContact CD2-CB 4.43Å; L344-E348 VanDerWaalsContact CD2-OE2 3.25Å; L344-E348 WeakPolarHBondContact CD2-OE2 3.27Å; E345-E348 PolarHBondContact N-OE2 3.38Å; E345-E348 WeakPolarHBondContact O-CB 3.23Å; E345-E348 PolarHBondContact O-N 2.86Å; E348-S350 VanDerWaalsContact C-N 3.32Å; E348-S350 PolarHBondContact O-N 3.13Å; E348-A351 PolarHBondContact O-N 2.95Å; E348-L352 PolarHBondContact O-N 2.92Å
349	L	95.3	Very high	95.4	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-40.1	175.2	-66.7	176.2	0	0	0	111.6	F339 P341 L344 E345 E346 L352 K353	F339-L349 HydrophobicContact CD1-CD2 4.16Å; F339-L349 HydrophobicContact CE1-CD2 3.77Å; P341-L349 HydrophobicContact CB-CD1 4.03Å; P341-L349 HydrophobicContact CB-CD2 4.17Å; L344-L349 HydrophobicContact CB-CD2 4.33Å; L344-L349 HydrophobicContact CB-CG 4.38Å; L344-L349 HydrophobicContact CD1-CD2 4.17Å; E345-L349 PolarHBondContact O-N 3.48Å; E345-L349 VanDerWaalsContact O-N 3.07Å; E346-L349 PolarHBondContact O-N 3.25Å; L349-L352 PolarHBondContact O-N 2.86Å; L349-K353 WeakPolarHBondContact O-CG 3.38Å; L349-K353 PolarHBondContact O-N 2.97Å
350	S	96.3	Very high	95.4	Very high	44 Å²	44	59 Å²	59	31%	0.308	31%	0.308	S	S	.	.	H	α-helix	trans	-67.2	-40.5	176.8	-60.7	0	0	0	0	111.6	E346 V347 E348 L352 K353 N354	E346-S350 VanDerWaalsContact O-CB 3.24Å; E346-S350 WeakPolarHBondContact O-CB 3.12Å; E346-S350 PolarHBondContact O-N 3.14Å; E346-S350 PolarHBondContact O-OG 3.26Å; V347-S350 PolarHBondContact O-N 3.44Å; E348-S350 VanDerWaalsContact C-N 3.32Å; E348-S350 PolarHBondContact O-N 3.13Å; S350-L352 PolarHBondContact O-N 2.91Å; S350-K353 PolarHBondContact O-N 3.48Å; S350-N354 WeakPolarHBondContact O-CB 3.36Å; S350-N354 PolarHBondContact O-N 3.4Å; S350-N354 PolarHBondContact O-ND2 3.49Å
351	A	97.3	Very high	95.4	Very high	56 Å²	56	61.7 Å²	61.7	46%	0.463	32%	0.323	S	S	.	.	H	α-helix	trans	-61.7	-42.2	173.9	0	0	0	0	0	112	V347 E348 N354 S355	V347-A351 WeakPolarHBondContact O-CB 3.49Å; V347-A351 PolarHBondContact O-N 3.4Å; E348-A351 PolarHBondContact O-N 2.95Å; A351-N354 PolarHBondContact O-N 3.35Å; A351-S355 PolarHBondContact O-N 3.04Å; A351-S355 PolarHBondContact O-OG 3.36Å
352	L	97.6	Very high	95.4	Very high	5 Å²	5	67.4 Å²	67.4	3%	0.026	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-46.7	174.5	175.6	59.8	0	0	0	112.2	F302 T306 Y308 W320 F339 E348 L349 S350 N354 S355 M356 F375	F302-L352 HydrophobicContact CE1-CD1 4.28Å; F302-L352 HydrophobicContact CZ-CD1 4.17Å; T306-L352 HydrophobicContact CG2-CD1 4.16Å; Y308-L352 HydrophobicContact CD2-CD1 4.07Å; Y308-L352 HydrophobicContact CD2-CD2 3.93Å; Y308-L352 HydrophobicContact CE2-CB 4.07Å; Y308-L352 HydrophobicContact CE2-CD1 3.85Å; Y308-L352 HydrophobicContact CE2-CD2 3.73Å; Y308-L352 HydrophobicContact CE2-CG 4.08Å; W320-L352 HydrophobicContact CH2-CD1 3.92Å; W320-L352 HydrophobicContact CH2-CD2 3.89Å; W320-L352 HydrophobicContact CH2-CG 4.32Å; W320-L352 HydrophobicContact CZ2-CD1 4.02Å; W320-L352 HydrophobicContact CZ2-CD2 4.24Å; F339-L352 HydrophobicContact CD2-CD2 4.15Å; F339-L352 HydrophobicContact CE1-CD2 4.22Å; F339-L352 HydrophobicContact CE2-CD2 3.58Å; F339-L352 HydrophobicContact CZ-CD2 3.62Å; E348-L352 PolarHBondContact O-N 2.92Å; L349-L352 PolarHBondContact O-N 2.86Å; S350-L352 PolarHBondContact O-N 2.91Å; L352-N354 VanDerWaalsContact C-N 3.3Å; L352-N354 PolarHBondContact O-N 3.2Å; L352-S355 PolarHBondContact O-N 3.4Å; L352-S355 PolarHBondContact O-OG 3.45Å; L352-M356 HydrophobicContact CD1-CG 4.4Å; L352-M356 HydrophobicContact CG-SD 4.4Å; L352-M356 WeakPolarHBondContact O-CB 3.32Å; L352-M356 WeakPolarHBondContact O-CG 3.46Å; L352-M356 PolarHBondContact O-N 3.4Å; L352-F375 HydrophobicContact CD2-CE2 4.03Å; L352-F375 HydrophobicContact CD2-CZ 4.3Å
353	K	97.4	Very high	95.6	Very high	19 Å²	19	64.9 Å²	64.9	8%	0.083	34%	0.344	C	S	.	.	H	α-helix	trans	-61.9	-39.5	177	-72.5	-178.4	-65.5	171.6	0	111.7	L349 S350 M356 K357 F375 E392 V394	L349-K353 WeakPolarHBondContact O-CG 3.38Å; L349-K353 PolarHBondContact O-N 2.97Å; S350-K353 PolarHBondContact O-N 3.48Å; K353-M356 WeakPolarHBondContact O-CB 3.29Å; K353-M356 PolarHBondContact O-N 3.05Å; K353-K357 WeakPolarHBondContact O-CB 3.47Å; K353-K357 PolarHBondContact O-N 2.99Å; K353-F375 HydrophobicContact CD-CD1 4.48Å; K353-F375 HydrophobicContact CD-CG 4.4Å; K353-F375 HydrophobicContact CG-CD2 4.19Å; K353-F375 HydrophobicContact CG-CG 4.23Å; K353-E392 WeakPolarHBondContact CD-OE2 3.34Å; K353-E392 IonicContact NZ-OE1 2.81Å; K353-E392 PolarHBondContact NZ-OE1 2.87Å; K353-E392 IonicContact NZ-OE2 3.3Å; K353-E392 PolarHBondContact NZ-OE2 3.32Å; K353-V394 HydrophobicContact CB-CG1 4.32Å; K353-V394 HydrophobicContact CB-CG2 4.44Å; K353-V394 HydrophobicContact CD-CG2 4.29Å; K353-V394 HydrophobicContact CG-CG2 4.14Å; K353-V394 WeakPolarHBondContact O-CG1 3.41Å
354	N	97.5	Very high	95.7	Very high	99 Å²	99	61.8 Å²	61.8	53%	0.529	33%	0.333	S	S	.	.	H	α-helix	trans	-66.5	-43.4	176.4	-73.2	-20.9	0	0	0	111.8	S350 A351 L352 M356 K357 T358	S350-N354 WeakPolarHBondContact O-CB 3.36Å; S350-N354 PolarHBondContact O-N 3.4Å; S350-N354 PolarHBondContact O-ND2 3.49Å; A351-N354 PolarHBondContact O-N 3.35Å; L352-N354 VanDerWaalsContact C-N 3.3Å; L352-N354 PolarHBondContact O-N 3.2Å; N354-M356 VanDerWaalsContact C-N 3.34Å; N354-M356 PolarHBondContact O-N 3.1Å; N354-K357 WeakPolarHBondContact O-CB 3.46Å; N354-K357 PolarHBondContact O-N 3Å; N354-T358 PolarHBondContact O-N 2.88Å; N354-T358 PolarHBondContact O-OG1 2.92Å
355	S	97.6	Very high	95.8	Very high	50 Å²	50	60.2 Å²	60.2	35%	0.35	32%	0.324	S	S	.	.	H	α-helix	trans	-65.6	-38.3	177.1	70.6	0	0	0	0	112.1	A351 L352 T358 Y359	A351-S355 PolarHBondContact O-N 3.04Å; A351-S355 PolarHBondContact O-OG 3.36Å; L352-S355 PolarHBondContact O-N 3.4Å; L352-S355 PolarHBondContact O-OG 3.45Å; S355-T358 PolarHBondContact O-N 2.98Å; S355-Y359 WeakPolarHBondContact O-CB 3.43Å; S355-Y359 PolarHBondContact O-N 3.13Å
356	M	96.8	Very high	95.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-57.6	-50.8	170.2	-76.9	176.8	63.1	0	0	111.4	F299 F302 W320 I337 L352 K353 N354 T358 Y359 F360 L373 F375 V394	F299-M356 HydrophobicContact CE1-CE 4.11Å; F299-M356 HydrophobicContact CZ-CE 4.15Å; F302-M356 HydrophobicContact CD1-CG 4.16Å; F302-M356 HydrophobicContact CE1-CB 4.3Å; F302-M356 HydrophobicContact CE1-CG 3.19Å; F302-M356 HydrophobicContact CE1-SD 4.29Å; F302-M356 HydrophobicContact CE2-CG 4.25Å; F302-M356 HydrophobicContact CZ-CB 4.02Å; F302-M356 HydrophobicContact CZ-CG 3.25Å; W320-M356 HydrophobicContact CH2-SD 4.42Å; I337-M356 HydrophobicContact CB-CE 4.46Å; I337-M356 HydrophobicContact CG2-CE 3.61Å; I337-M356 HydrophobicContact CG2-SD 4.3Å; L352-M356 HydrophobicContact CD1-CG 4.4Å; L352-M356 HydrophobicContact CG-SD 4.4Å; L352-M356 WeakPolarHBondContact O-CB 3.32Å; L352-M356 WeakPolarHBondContact O-CG 3.46Å; L352-M356 PolarHBondContact O-N 3.4Å; K353-M356 WeakPolarHBondContact O-CB 3.29Å; K353-M356 PolarHBondContact O-N 3.05Å; N354-M356 VanDerWaalsContact C-N 3.34Å; N354-M356 PolarHBondContact O-N 3.1Å; M356-T358 PolarHBondContact O-N 2.66Å; M356-Y359 PolarHBondContact O-N 3.47Å; M356-F360 VanDerWaalsContact O-CD2 3.25Å; M356-F360 WeakPolarHBondContact O-CD2 3.35Å; M356-F360 PolarHBondContact O-N 2.76Å; M356-L373 HydrophobicContact CB-CD2 4.37Å; M356-L373 HydrophobicContact CE-CD1 3.96Å; M356-L373 HydrophobicContact CE-CD2 4.23Å; M356-L373 HydrophobicContact CE-CG 4.29Å; M356-F375 HydrophobicContact CE-CD2 4.35Å; M356-F375 HydrophobicContact SD-CD2 3.88Å; M356-F375 HydrophobicContact SD-CE2 4.16Å; M356-V394 HydrophobicContact CB-CG1 4.49Å
357	K	97.1	Very high	95.7	Very high	91 Å²	91	63 Å²	63	40%	0.396	34%	0.335	S	S	.	.	H	α-helix	trans	-56.6	-49.6	179.1	176	175.9	177.7	-179	0	111.3	K353 N354 L361 V394 A395	K353-K357 WeakPolarHBondContact O-CB 3.47Å; K353-K357 PolarHBondContact O-N 2.99Å; N354-K357 WeakPolarHBondContact O-CB 3.46Å; N354-K357 PolarHBondContact O-N 3Å; K357-L361 HydrophobicContact CG-CD1 3.87Å; K357-L361 HydrophobicContact CG-CG 4.44Å; K357-L361 WeakPolarHBondContact O-CB 3.17Å; K357-L361 WeakPolarHBondContact O-CG 3.45Å; K357-L361 PolarHBondContact O-N 3.3Å; K357-V394 HydrophobicContact CB-CG1 4.05Å; K357-A395 HydrophobicContact CB-CB 4.45Å; K357-A395 HydrophobicContact CG-CB 4.06Å
358	T	97.3	Very high	95.7	Very high	70 Å²	70	58 Å²	58	43%	0.429	31%	0.305	S	S	.	.	H	α-helix	trans	-61.1	-46	178.1	-61.7	0	0	0	0	111.3	N354 S355 M356 F360 E362 G363	N354-T358 PolarHBondContact O-N 2.88Å; N354-T358 PolarHBondContact O-OG1 2.92Å; S355-T358 PolarHBondContact O-N 2.98Å; M356-T358 PolarHBondContact O-N 2.66Å; T358-F360 PolarHBondContact O-N 3.05Å; T358-E362 WeakPolarHBondContact O-CA 3.38Å; T358-E362 WeakPolarHBondContact O-CB 3.26Å; T358-E362 PolarHBondContact O-N 2.81Å; T358-G363 PolarHBondContact O-N 2.78Å
359	Y	97.7	Very high	95.7	Very high	35 Å²	35	57.3 Å²	57.3	14%	0.137	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-45.1	-178.9	-175.3	-97.4	0	0	0	113.1	E298 F302 S355 M356 G363 E364 G365	E298-Y359 PolarHBondContact OE2-OH 2.88Å; F302-Y359 HydrophobicContact CB-CD1 3.77Å; F302-Y359 HydrophobicContact CB-CE1 3.66Å; F302-Y359 HydrophobicContact CB-CG 4.35Å; F302-Y359 AromaticContact CD2-CD1 3.74Å; F302-Y359 HydrophobicContact CD2-CD1 3.74Å; F302-Y359 HydrophobicContact CD2-CD2 4.04Å; F302-Y359 HydrophobicContact CD2-CE1 4.39Å; F302-Y359 AromaticContact CD2-CG 3.53Å; F302-Y359 HydrophobicContact CD2-CG 3.53Å; F302-Y359 HydrophobicContact CE2-CG 4.3Å; F302-Y359 HydrophobicContact CG-CD1 4.03Å; F302-Y359 HydrophobicContact CG-CE1 4.42Å; F302-Y359 HydrophobicContact CG-CG 4.29Å; S355-Y359 WeakPolarHBondContact O-CB 3.43Å; S355-Y359 PolarHBondContact O-N 3.13Å; M356-Y359 PolarHBondContact O-N 3.47Å; Y359-G363 CarbonylContact O-C 3.59Å; Y359-G363 WeakPolarHBondContact O-CA 3.01Å; Y359-G363 PolarHBondContact O-N 3.29Å; Y359-E364 HydrophobicContact CE2-CB 4.28Å; Y359-G365 WeakPolarHBondContact O-CA 3.33Å; Y359-G365 PolarHBondContact O-N 3.45Å; Y359-G365 VanDerWaalsContact O-N 3.15Å
360	F	97.1	Very high	95.8	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-86.6	-20.8	-174.9	-71.2	-67.9	0	0	0	114.9	E298 F299 F302 M356 T358 K366 I370 L373	E298-F360 HydrophobicContact CB-CE1 4.15Å; F299-F360 HydrophobicContact CB-CZ 4.32Å; F299-F360 HydrophobicContact CD1-CE2 4.26Å; F299-F360 AromaticContact CD1-CZ 3.97Å; F299-F360 HydrophobicContact CD1-CZ 3.97Å; F299-F360 AromaticContact CD2-CE1 3.85Å; F299-F360 HydrophobicContact CD2-CE1 3.85Å; F299-F360 HydrophobicContact CD2-CE2 4.08Å; F299-F360 AromaticContact CD2-CZ 3.36Å; F299-F360 HydrophobicContact CD2-CZ 3.36Å; F299-F360 HydrophobicContact CE1-CE2 4.01Å; F299-F360 HydrophobicContact CE1-CZ 4.13Å; F299-F360 HydrophobicContact CE2-CE1 4.11Å; F299-F360 AromaticContact CE2-CE2 3.8Å; F299-F360 HydrophobicContact CE2-CE2 3.8Å; F299-F360 AromaticContact CE2-CZ 3.54Å; F299-F360 HydrophobicContact CE2-CZ 3.54Å; F299-F360 HydrophobicContact CG-CE1 4.41Å; F299-F360 HydrophobicContact CG-CE2 4.33Å; F299-F360 AromaticContact CG-CZ 3.62Å; F299-F360 HydrophobicContact CG-CZ 3.62Å; F299-F360 AromaticContact CZ-CE2 3.8Å; F299-F360 HydrophobicContact CZ-CE2 3.8Å; F299-F360 AromaticContact CZ-CZ 3.95Å; F299-F360 HydrophobicContact CZ-CZ 3.95Å; F302-F360 HydrophobicContact CB-CE2 4.39Å; F302-F360 HydrophobicContact CB-CZ 4.15Å; F302-F360 HydrophobicContact CD1-CE2 4.33Å; F302-F360 HydrophobicContact CG-CE2 4.22Å; F302-F360 HydrophobicContact CG-CZ 4.47Å; M356-F360 VanDerWaalsContact O-CD2 3.25Å; M356-F360 WeakPolarHBondContact O-CD2 3.35Å; M356-F360 PolarHBondContact O-N 2.76Å; T358-F360 PolarHBondContact O-N 3.05Å; F360-K366 WeakPolarHBondContact O-CA 3.35Å; F360-I370 HydrophobicContact CD1-CD1 3.52Å; F360-I370 HydrophobicContact CE1-CD1 3.66Å; F360-I370 HydrophobicContact CG-CD1 4.05Å; F360-I370 HydrophobicContact CZ-CD1 4.31Å; F360-L373 HydrophobicContact CB-CD2 4.37Å; F360-L373 HydrophobicContact CD2-CD2 3.91Å; F360-L373 HydrophobicContact CG-CD2 4.48Å
361	L	92.9	Very high	95.9	Very high	67 Å²	67	58 Å²	58	35%	0.351	31%	0.314	S	S	.	.	H	α-helix	trans	-96.7	-36.6	176.8	-64.8	-171.9	0	0	0	113.6	K357 A395	K357-L361 HydrophobicContact CG-CD1 3.87Å; K357-L361 HydrophobicContact CG-CG 4.44Å; K357-L361 WeakPolarHBondContact O-CB 3.17Å; K357-L361 WeakPolarHBondContact O-CG 3.45Å; K357-L361 PolarHBondContact O-N 3.3Å; L361-A395 HydrophobicContact CD1-CB 3.9Å; L361-A395 HydrophobicContact CD2-CB 4.23Å; L361-A395 HydrophobicContact CG-CB 4.05Å
362	E	93.2	Very high	95.9	Very high	147 Å²	147	55.3 Å²	55.3	69%	0.687	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	-27.9	-168.3	-62	168.9	-166.6	0	0	112.8	T358	T358-E362 WeakPolarHBondContact O-CA 3.38Å; T358-E362 WeakPolarHBondContact O-CB 3.26Å; T358-E362 PolarHBondContact O-N 2.81Å
363	G	93.9	Very high	95.9	Very high	33 Å²	33	55.1 Å²	55.1	34%	0.34	29%	0.292	S	S	.	.	S	Bend	trans	-91.9	-163.2	-177.7	0	0	0	0	0	114.9	T358 Y359 G365 K366	T358-G363 PolarHBondContact O-N 2.78Å; Y359-G363 CarbonylContact O-C 3.59Å; Y359-G363 WeakPolarHBondContact O-CA 3.01Å; Y359-G363 PolarHBondContact O-N 3.29Å; G363-G365 PolarHBondContact O-N 3.01Å; G363-K366 VanDerWaalsContact O-CB 3.27Å; G363-K366 WeakPolarHBondContact O-CB 3.36Å; G363-K366 PolarHBondContact O-N 2.76Å; G363-K366 VanDerWaalsContact O-N 3.13Å
364	E	92.8	Very high	96	Very high	136 Å²	136	54.5 Å²	54.5	64%	0.636	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-58.1	-32	178.7	-62.2	-178.4	173.1	0	0	112.5	Y359 K366 E367	Y359-E364 HydrophobicContact CE2-CB 4.28Å; E364-K366 PolarHBondContact O-N 2.76Å; E364-E367 PolarHBondContact O-N 3.31Å
365	G	93.8	Very high	96	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-63	-12.8	179	0	0	0	0	0	114.2	Y359 G363 E367 S368	Y359-G365 WeakPolarHBondContact O-CA 3.33Å; Y359-G365 PolarHBondContact O-N 3.45Å; Y359-G365 VanDerWaalsContact O-N 3.15Å; G363-G365 PolarHBondContact O-N 3.01Å; G365-E367 PolarHBondContact O-N 3.34Å; G365-S368 WeakPolarHBondContact O-CB 3.23Å; G365-S368 PolarHBondContact O-N 2.88Å; G365-S368 PolarHBondContact O-OG 2.86Å
366	K	94.8	Very high	95.9	Very high	144 Å²	144	47.5 Å²	47.5	63%	0.626	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-57.2	-29.7	173.7	-173.3	178.1	-179.4	176.5	0	112.6	F360 G363 E364 S368 G369	F360-K366 WeakPolarHBondContact O-CA 3.35Å; G363-K366 VanDerWaalsContact O-CB 3.27Å; G363-K366 WeakPolarHBondContact O-CB 3.36Å; G363-K366 PolarHBondContact O-N 2.76Å; G363-K366 VanDerWaalsContact O-N 3.13Å; E364-K366 PolarHBondContact O-N 2.76Å; K366-S368 PolarHBondContact O-N 3.35Å; K366-G369 PolarHBondContact O-N 3.18Å
367	E	92.7	Very high	95.6	Very high	153 Å²	153	50.9 Å²	50.9	72%	0.715	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-64.7	-16.7	176.5	-63.9	-171.4	168.6	0	0	113.5	E364 G365 G369	E364-E367 PolarHBondContact O-N 3.31Å; G365-E367 PolarHBondContact O-N 3.34Å; E367-G369 PolarHBondContact O-N 3.44Å
368	S	95.5	Very high	95.1	Very high	5 Å²	5	47.7 Å²	47.7	4%	0.035	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-63	-26.1	174.3	67.3	0	0	0	0	113.6	G365 K366 I370	G365-S368 WeakPolarHBondContact O-CB 3.23Å; G365-S368 PolarHBondContact O-N 2.88Å; G365-S368 PolarHBondContact O-OG 2.86Å; K366-S368 PolarHBondContact O-N 3.35Å; S368-I370 VanDerWaalsContact C-N 3.31Å; S368-I370 WeakPolarHBondContact OG-CD1 3.31Å; S368-I370 WeakPolarHBondContact OG-CG1 3.25Å; S368-I370 PolarHBondContact OG-N 3.41Å
369	G	95.6	Very high	94.1	Very high	41 Å²	41	45.8 Å²	45.8	42%	0.423	24%	0.241	S	C	.	.			trans	73	17.6	-175.1	0	0	0	0	0	114.6	K366 E367 T371	K366-G369 PolarHBondContact O-N 3.18Å; E367-G369 PolarHBondContact O-N 3.44Å; G369-T371 PolarHBondContact O-N 3.19Å
370	I	97.4	Very high	92.5	Very high	19 Å²	19	48.8 Å²	48.8	10%	0.097	26%	0.256	C	S	.	.			trans	-63.2	122.1	175.8	-65.4	162.7	0	0	0	109.9	V295 F299 A335 F360 S368 S372 L373	V295-I370 HydrophobicContact CG1-CD1 4.08Å; V295-I370 HydrophobicContact CG1-CG1 4.12Å; V295-I370 HydrophobicContact CG2-CG1 3.96Å; F299-I370 HydrophobicContact CD2-CD1 3.94Å; F299-I370 HydrophobicContact CE2-CD1 3.59Å; A335-I370 HydrophobicContact CB-CD1 3.98Å; A335-I370 HydrophobicContact CB-CG1 4.24Å; A335-I370 HydrophobicContact CB-CG2 4.38Å; F360-I370 HydrophobicContact CD1-CD1 3.52Å; F360-I370 HydrophobicContact CE1-CD1 3.66Å; F360-I370 HydrophobicContact CG-CD1 4.05Å; F360-I370 HydrophobicContact CZ-CD1 4.31Å; S368-I370 VanDerWaalsContact C-N 3.31Å; S368-I370 WeakPolarHBondContact OG-CD1 3.31Å; S368-I370 WeakPolarHBondContact OG-CG1 3.25Å; S368-I370 PolarHBondContact OG-N 3.41Å; I370-S372 WeakPolarHBondContact CG2-O 3.45Å; I370-L373 HydrophobicContact CG2-CB 4.06Å
371	T	97.6	Very high	90.4	Very high	41 Å²	41	58.9 Å²	58.9	25%	0.252	29%	0.294	S	S	.	.	S	Bend	trans	-103.5	-14.4	174.6	59.6	0	0	0	0	112.3	A333 G369 G396 E397	A333-T371 PolarHBondContact N-OG1 2.96Å; A333-T371 VanDerWaalsContact N-OG1 3.13Å; A333-T371 PolarHBondContact O-N 2.94Å; A333-T371 PolarHBondContact O-OG1 3.42Å; G369-T371 PolarHBondContact O-N 3.19Å; T371-G396 CarbonylContact O-C 3.58Å; T371-G396 VanDerWaalsContact O-CA 3.28Å; T371-G396 WeakPolarHBondContact O-CA 3.15Å; T371-E397 PolarHBondContact O-N 2.73Å
372	S	98.1	Very high	88.3	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	114.5	-177.5	179.2	0	0	0	0	110.4	A333 M334 A335 I370 H374 E397	A333-S372 PolarHBondContact O-N 3.19Å; A333-S372 VanDerWaalsContact O-N 3.09Å; M334-S372 CarbonylContact C-O 3.57Å; M334-S372 WeakPolarHBondContact CA-O 3.3Å; A335-S372 PolarHBondContact N-O 3Å; I370-S372 WeakPolarHBondContact CG2-O 3.45Å; S372-H374 PolarHBondContact OG-CE1 3.47Å; S372-H374 PolarHBondContact OG-ND1 2.96Å; S372-E397 WeakPolarHBondContact CB-O 3.27Å; S372-E397 PolarHBondContact OG-O 2.86Å
373	L	98.3	Very high	86.3	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.6	-174.7	-179.3	63.1	0	0	0	110.4	F299 A335 M356 F360 I370 V394 A395	F299-L373 HydrophobicContact CE2-CD1 3.92Å; F299-L373 HydrophobicContact CZ-CD1 3.53Å; A335-L373 HydrophobicContact CB-CD1 4.03Å; M356-L373 HydrophobicContact CB-CD2 4.37Å; M356-L373 HydrophobicContact CE-CD1 3.96Å; M356-L373 HydrophobicContact CE-CD2 4.23Å; M356-L373 HydrophobicContact CE-CG 4.29Å; F360-L373 HydrophobicContact CB-CD2 4.37Å; F360-L373 HydrophobicContact CD2-CD2 3.91Å; F360-L373 HydrophobicContact CG-CD2 4.48Å; I370-L373 HydrophobicContact CG2-CB 4.06Å; L373-V394 HydrophobicContact CD2-CB 4.2Å; L373-V394 HydrophobicContact CD2-CG1 3.94Å; L373-V394 HydrophobicContact CG-CB 4.07Å; L373-V394 HydrophobicContact CG-CG1 4.36Å; L373-V394 WeakPolarHBondContact O-CB 3.4Å; L373-V394 PolarHBondContact O-N 3.38Å; L373-A395 HydrophobicContact CB-CB 4.03Å; L373-A395 HydrophobicContact CD2-CB 4.13Å; L373-A395 PolarHBondContact N-O 3.01Å; L373-A395 PolarHBondContact O-N 2.91Å
374	H	98.1	Very high	84.3	Confident	6 Å²	6	60.5 Å²	60.5	3%	0.028	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	150	-176.2	-71.2	86.9	0	0	0	112.3	A335 I336 I337 S372 E392 S398 P413	A335-H374 PolarHBondContact O-N 2.85Å; I336-H374 HydrophobicContact CB-CB 4.32Å; I336-H374 HydrophobicContact CG1-CB 4.13Å; I336-H374 HydrophobicContact CG2-CB 4.09Å; I337-H374 WeakPolarHBondContact CG2-O 3.37Å; I337-H374 PolarHBondContact N-O 2.67Å; S372-H374 PolarHBondContact OG-CE1 3.47Å; S372-H374 PolarHBondContact OG-ND1 2.96Å; H374-E392 CarbonylContact C-O 3.6Å; H374-E392 VanDerWaalsContact CA-O 3.24Å; H374-E392 WeakPolarHBondContact CA-O 3.5Å; H374-S398 PolarHBondContact CE1-O 3.46Å; H374-P413 WeakPolarHBondContact NE2-CG 3.49Å
375	F	97.3	Very high	82.7	Confident	1 Å²	1	58.3 Å²	58.3	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	124.7	178.4	-169.5	-81.4	0	0	0	110.4	I337 F339 L352 K353 M356 R377 E392 V394	I337-F375 HydrophobicContact CG2-CB 4.14Å; I337-F375 HydrophobicContact CG2-CD2 3.36Å; I337-F375 HydrophobicContact CG2-CE2 4.05Å; I337-F375 HydrophobicContact CG2-CG 3.99Å; F339-F375 HydrophobicContact CB-CE1 3.92Å; F339-F375 HydrophobicContact CB-CE2 3.83Å; F339-F375 HydrophobicContact CB-CZ 3.36Å; F339-F375 HydrophobicContact CD1-CE1 4.32Å; F339-F375 HydrophobicContact CD1-CE2 4.49Å; F339-F375 AromaticContact CD1-CZ 3.6Å; F339-F375 HydrophobicContact CD1-CZ 3.6Å; F339-F375 HydrophobicContact CD2-CE2 4.41Å; F339-F375 HydrophobicContact CD2-CZ 4.25Å; F339-F375 HydrophobicContact CE1-CZ 4.38Å; F339-F375 HydrophobicContact CG-CE1 4.37Å; F339-F375 HydrophobicContact CG-CE2 4.03Å; F339-F375 AromaticContact CG-CZ 3.49Å; F339-F375 HydrophobicContact CG-CZ 3.49Å; F339-F375 VanDerWaalsContact CG-CZ 3.49Å; L352-F375 HydrophobicContact CD2-CE2 4.03Å; L352-F375 HydrophobicContact CD2-CZ 4.3Å; K353-F375 HydrophobicContact CD-CD1 4.48Å; K353-F375 HydrophobicContact CD-CG 4.4Å; K353-F375 HydrophobicContact CG-CD2 4.19Å; K353-F375 HydrophobicContact CG-CG 4.23Å; M356-F375 HydrophobicContact CE-CD2 4.35Å; M356-F375 HydrophobicContact SD-CD2 3.88Å; M356-F375 HydrophobicContact SD-CE2 4.16Å; F375-R377 HydrophobicContact CD1-CG 4.1Å; F375-R377 HydrophobicContact CE1-CG 3.8Å; F375-E392 PolarHBondContact N-O 2.76Å; F375-E392 PolarHBondContact O-N 2.75Å; F375-V394 HydrophobicContact CB-CG2 3.51Å
376	V	95.3	Very high	81.2	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.1	178.9	-179.7	0	0	0	0	108.9	I336 I337 F338 F339 L389 C391	I336-V376 HydrophobicContact CG2-CG2 3.61Å; I337-V376 PolarHBondContact O-N 3.03Å; F338-V376 HydrophobicContact CD1-CB 3.81Å; F338-V376 HydrophobicContact CD1-CG1 3.69Å; F338-V376 HydrophobicContact CD1-CG2 4.42Å; F338-V376 HydrophobicContact CE1-CB 3.95Å; F338-V376 HydrophobicContact CE1-CG1 3.72Å; F338-V376 HydrophobicContact CE1-CG2 4.11Å; F338-V376 HydrophobicContact CG-CB 4.26Å; F338-V376 HydrophobicContact CZ-CG2 4.24Å; F339-V376 PolarHBondContact N-O 3.35Å; V376-L389 HydrophobicContact CG1-CB 3.71Å; V376-L389 HydrophobicContact CG1-CD1 3.98Å; V376-C391 HydrophobicContact CG2-CB 4.18Å
377	R	92.1	Very high	79.6	Confident	72 Å²	72	60.7 Å²	60.7	27%	0.272	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	115	173.6	-64.4	172.6	-174.1	-156.2	-4.5	108.9	F339 E346 F375	F339-R377 WeakPolarHBondContact O-CA 3.4Å; E346-R377 VanDerWaalsContact CD-NH1 3.29Å; E346-R377 IonicContact OE1-CZ 3.09Å; E346-R377 IonicContact OE1-NH1 2.91Å; E346-R377 PolarHBondContact OE1-NH1 3.13Å; E346-R377 IonicContact OE1-NH2 3.59Å; E346-R377 IonicContact OE2-CZ 2.77Å; E346-R377 IonicContact OE2-NH1 3.87Å; E346-R377 PolarHBondContact OE2-NH1 3.16Å; E346-R377 VanDerWaalsContact OE2-NH1 3.11Å; E346-R377 IonicContact OE2-NH2 2.6Å; E346-R377 PolarHBondContact OE2-NH2 3.25Å; F375-R377 HydrophobicContact CD1-CG 4.1Å; F375-R377 HydrophobicContact CE1-CG 3.8Å
378	E	85.9	Confident	78.5	Confident	24 Å²	24	58.1 Å²	58.1	11%	0.112	31%	0.313	C	S	.	.			trans	-125.4	85.9	-177.8	-167.6	-171.7	167.8	0	0	111	K321 F339 N340 L386 L389	K321-E378 HydrophobicContact CD-CB 4.39Å; K321-E378 VanDerWaalsContact CE-CD 3.48Å; K321-E378 WeakPolarHBondContact CE-OE2 3.39Å; K321-E378 VanDerWaalsContact NZ-CG 3.28Å; K321-E378 IonicContact NZ-OE1 2.76Å; K321-E378 PolarHBondContact NZ-OE1 2.87Å; K321-E378 IonicContact NZ-OE2 2.75Å; K321-E378 PolarHBondContact NZ-OE2 3.36Å; F339-E378 PolarHBondContact O-N 3.43Å; N340-E378 WeakPolarHBondContact CA-O 3.41Å; N340-E378 WeakPolarHBondContact CB-O 3.36Å; E378-L386 WeakPolarHBondContact OE1-CD2 3.43Å; E378-L389 HydrophobicContact CB-CD1 3.98Å; E378-L389 HydrophobicContact CG-CD1 3.62Å
379	G	76.4	Confident	77.7	Confident	30 Å²	30	59.1 Å²	59.1	31%	0.309	32%	0.318	S	S	.	.			trans	-77.3	-154	173	0	0	0	0	0	113.7
380	Q	64.4	Low	77.2	Confident	98 Å²	98	62.3 Å²	62.3	46%	0.458	33%	0.331	S	S	.	.	S	Bend	trans	-70.8	132.4	173.3	-77.1	-174.2	-18.7	0	0	110.9	T382	Q380-T382 PolarHBondContact O-N 3.15Å
381	R	53.6	Low	76.9	Confident	218 Å²	218	63.1 Å²	63.1	82%	0.823	34%	0.338	S	S	*	.			trans	-50.1	103.4	-169.2	-72.2	179.5	169.6	177.6	-5.1	113.5
382	T	48.6	Very low	76.8	Confident	140 Å²	140	64.7 Å²	64.7	86%	0.859	34%	0.342	S	S	*	.	S	Bend	trans	-84.4	-29.6	163.3	49.8	0	0	0	0	111.4	Q380	Q380-T382 PolarHBondContact O-N 3.15Å
383	S	49.5	Very low	76.8	Confident	25 Å²	25	68.1 Å²	68.1	18%	0.175	36%	0.36	C	S	.	.	S	Bend	trans	-122.2	154.6	175.5	69.2	0	0	0	0	112.1	N385 D388	S383-N385 PolarHBondContact OG-O 3.09Å; S383-N385 VanDerWaalsContact OG-O 3.05Å; S383-D388 WeakPolarHBondContact CB-OD2 3.21Å
384	P	52.6	Low	76.7	Confident	116 Å²	116	68.9 Å²	68.9	75%	0.753	37%	0.365	S	S	*	.	S	Bend	trans	-78.8	-16.6	172.9	30.7	-32.7	0	0	0	113.7
385	N	59.9	Low	76.7	Confident	90 Å²	90	68.9 Å²	68.9	48%	0.481	37%	0.366	S	S	.	.			trans	-109.9	132.6	-174.5	-54.8	-30.3	0	0	0	111.3	S383 E387 D388	S383-N385 PolarHBondContact OG-O 3.09Å; S383-N385 VanDerWaalsContact OG-O 3.05Å; N385-E387 PolarHBondContact O-N 3.13Å; N385-D388 PolarHBondContact O-N 3.36Å
386	L	61	Low	76.6	Confident	77 Å²	77	71.2 Å²	71.2	40%	0.403	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-68.6	-23.1	177.8	-75.6	159.1	0	0	0	113.2	F338 E378 D388 L389	F338-L386 HydrophobicContact CD1-CD2 4.29Å; F338-L386 HydrophobicContact CE1-CD2 4.05Å; E378-L386 WeakPolarHBondContact OE1-CD2 3.43Å; L386-D388 PolarHBondContact O-N 2.74Å; L386-L389 HydrophobicContact CD2-CD1 3.97Å; L386-L389 WeakPolarHBondContact O-CB 3.26Å; L386-L389 PolarHBondContact O-N 3.39Å
387	E	63	Low	76.7	Confident	117 Å²	117	75.2 Å²	75.2	55%	0.547	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-74.1	-15.6	180	-63.6	162.5	-165.5	0	0	112.6	N385 L389 H414	N385-E387 PolarHBondContact O-N 3.13Å; E387-L389 PolarHBondContact O-N 3.36Å; E387-H414 HydrophobicContact CG-CB 4.31Å
388	D	68.4	Low	76.8	Confident	99 Å²	99	75.2 Å²	75.2	53%	0.529	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-81.4	-6.4	175.6	-59.2	-29.9	0	0	0	112.2	S383 N385 L386	S383-D388 WeakPolarHBondContact CB-OD2 3.21Å; N385-D388 PolarHBondContact O-N 3.36Å; L386-D388 PolarHBondContact O-N 2.74Å
389	L	78.6	Confident	77.3	Confident	26 Å²	26	74.7 Å²	74.7	14%	0.136	42%	0.419	C	S	.	.	S	Bend	trans	-84.3	134.2	-177.4	-62.9	172	0	0	0	110.4	V376 E378 L386 E387 C391	V376-L389 HydrophobicContact CG1-CB 3.71Å; V376-L389 HydrophobicContact CG1-CD1 3.98Å; E378-L389 HydrophobicContact CB-CD1 3.98Å; E378-L389 HydrophobicContact CG-CD1 3.62Å; L386-L389 HydrophobicContact CD2-CD1 3.97Å; L386-L389 WeakPolarHBondContact O-CB 3.26Å; L386-L389 PolarHBondContact O-N 3.39Å; E387-L389 PolarHBondContact O-N 3.36Å; L389-C391 PolarHBondContact O-N 3.41Å
390	P	85.4	Confident	78.3	Confident	107 Å²	107	73.4 Å²	73.4	70%	0.695	41%	0.405	S	S	*	.			trans	-56.5	126.9	174.3	-24.9	33.9	0	0	0	111.9
391	C	91	Very high	79.9	Confident	36 Å²	36	71.5 Å²	71.5	24%	0.243	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	108.8	174.5	-159.9	0	0	0	0	109.6	V376 L389 H414	V376-C391 HydrophobicContact CG2-CB 4.18Å; L389-C391 PolarHBondContact O-N 3.41Å; C391-H414 VanDerWaalsContact CB-NE2 3.33Å; C391-H414 WeakPolarHBondContact CB-NE2 3.41Å
392	E	95.1	Very high	82	Confident	74 Å²	74	61.2 Å²	61.2	35%	0.346	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.1	-178.3	-169.6	-174.7	158	0	0	110.4	K353 H374 F375 V394	K353-E392 WeakPolarHBondContact CD-OE2 3.34Å; K353-E392 IonicContact NZ-OE1 2.81Å; K353-E392 PolarHBondContact NZ-OE1 2.87Å; K353-E392 IonicContact NZ-OE2 3.3Å; K353-E392 PolarHBondContact NZ-OE2 3.32Å; H374-E392 CarbonylContact C-O 3.6Å; H374-E392 VanDerWaalsContact CA-O 3.24Å; H374-E392 WeakPolarHBondContact CA-O 3.5Å; F375-E392 PolarHBondContact N-O 2.76Å; F375-E392 PolarHBondContact O-N 2.75Å; E392-V394 PolarHBondContact O-N 3.13Å
393	L	97.6	Very high	84.3	Confident	72 Å²	72	58.9 Å²	58.9	38%	0.377	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	117	169.1	179.2	65.6	0	0	0	109.7	A395 E397	L393-A395 WeakPolarHBondContact CD1-O 3.11Å; L393-E397 WeakPolarHBondContact CD1-O 3.33Å
394	V	97.6	Very high	86.5	Confident	18 Å²	18	57.7 Å²	57.7	11%	0.109	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-42.8	176.9	176.4	0	0	0	0	111	K353 M356 K357 L373 F375 E392	K353-V394 HydrophobicContact CB-CG1 4.32Å; K353-V394 HydrophobicContact CB-CG2 4.44Å; K353-V394 HydrophobicContact CD-CG2 4.29Å; K353-V394 HydrophobicContact CG-CG2 4.14Å; K353-V394 WeakPolarHBondContact O-CG1 3.41Å; M356-V394 HydrophobicContact CB-CG1 4.49Å; K357-V394 HydrophobicContact CB-CG1 4.05Å; L373-V394 HydrophobicContact CD2-CB 4.2Å; L373-V394 HydrophobicContact CD2-CG1 3.94Å; L373-V394 HydrophobicContact CG-CB 4.07Å; L373-V394 HydrophobicContact CG-CG1 4.36Å; L373-V394 WeakPolarHBondContact O-CB 3.4Å; L373-V394 PolarHBondContact O-N 3.38Å; F375-V394 HydrophobicContact CB-CG2 3.51Å; E392-V394 PolarHBondContact O-N 3.13Å
395	A	96.7	Very high	88.5	Confident	7 Å²	7	54.9 Å²	54.9	6%	0.058	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	151.7	-176.2	0	0	0	0	0	112.4	K357 L361 L373 L393	K357-A395 HydrophobicContact CB-CB 4.45Å; K357-A395 HydrophobicContact CG-CB 4.06Å; L361-A395 HydrophobicContact CD1-CB 3.9Å; L361-A395 HydrophobicContact CD2-CB 4.23Å; L361-A395 HydrophobicContact CG-CB 4.05Å; L373-A395 HydrophobicContact CB-CB 4.03Å; L373-A395 HydrophobicContact CD2-CB 4.13Å; L373-A395 PolarHBondContact N-O 3.01Å; L373-A395 PolarHBondContact O-N 2.91Å; L393-A395 WeakPolarHBondContact CD1-O 3.11Å
396	G	96.2	Very high	90.2	Very high	49 Å²	49	54.2 Å²	54.2	51%	0.505	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.4	-146.4	174.6	0	0	0	0	0	113.8	T371	T371-G396 CarbonylContact O-C 3.58Å; T371-G396 VanDerWaalsContact O-CA 3.28Å; T371-G396 WeakPolarHBondContact O-CA 3.15Å
397	E	96.6	Very high	92	Very high	84 Å²	84	51.1 Å²	51.1	39%	0.393	30%	0.304	S	S	.	.			trans	-84.4	147.6	-178.9	-65.7	176.3	-151.9	0	0	111.5	Q332 T371 S372 L393 C399	Q332-E397 PolarHBondContact NE2-OE1 2.98Å; Q332-E397 PolarHBondContact NE2-OE2 2.88Å; T371-E397 PolarHBondContact O-N 2.73Å; S372-E397 WeakPolarHBondContact CB-O 3.27Å; S372-E397 PolarHBondContact OG-O 2.86Å; L393-E397 WeakPolarHBondContact CD1-O 3.33Å; E397-C399 WeakPolarHBondContact CB-O 3.26Å; E397-C399 PolarHBondContact O-N 3.29Å
398	S	95.8	Very high	93.6	Very high	73 Å²	73	51.1 Å²	51.1	51%	0.51	30%	0.302	S	S	.	.	S	Bend	trans	-72.6	-16.6	176.1	56	0	0	0	0	113.8	H374	H374-S398 PolarHBondContact CE1-O 3.46Å
399	C	96.2	Very high	95	Very high	13 Å²	13	46.4 Å²	46.4	9%	0.088	28%	0.277	C	S	.	.	S	Bend	trans	-144.8	167.3	-177.4	55.5	0	0	0	0	110	E397 R410 I411	E397-C399 WeakPolarHBondContact CB-O 3.26Å; E397-C399 PolarHBondContact O-N 3.29Å; C399-R410 HydrophobicContact CB-CG 3.72Å; C399-R410 VanDerWaalsContact SG-CG 3.51Å; C399-I411 WeakPolarHBondContact CA-O 3.27Å; C399-I411 WeakPolarHBondContact CB-O 3.37Å
400	I	97.3	Very high	95.9	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	164.8	170.6	62.1	-172.6	0	0	0	109.7	R326 T328 Q332 M334 R410 I411	R326-I400 HydrophobicContact CB-CD1 3.6Å; T328-I400 HydrophobicContact CG2-CB 4.18Å; T328-I400 HydrophobicContact CG2-CD1 3.73Å; T328-I400 HydrophobicContact CG2-CG1 3.95Å; Q332-I400 HydrophobicContact CB-CB 4.13Å; Q332-I400 HydrophobicContact CB-CG2 3.99Å; M334-I400 HydrophobicContact CB-CD1 3.93Å; M334-I400 HydrophobicContact CB-CG2 3.83Å; M334-I400 HydrophobicContact CE-CB 4.44Å; M334-I400 HydrophobicContact CE-CD1 4.31Å; M334-I400 HydrophobicContact CE-CG1 4.06Å; M334-I400 HydrophobicContact CE-CG2 4.02Å; I400-R410 CarbonylContact O-C 3.03Å; I400-R410 WeakPolarHBondContact O-CA 3.39Å; I400-I411 HydrophobicContact CG1-CB 3.92Å; I400-I411 HydrophobicContact CG1-CG2 4.34Å; I400-I411 PolarHBondContact N-O 2.86Å; I400-I411 PolarHBondContact O-N 2.97Å
401	H	97.5	Very high	96.4	Very high	59 Å²	59	42.5 Å²	42.5	27%	0.273	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135	-176.8	-61.9	82	0	0	0	110.4	T328 T330 Q332 F409	T328-H401 VanDerWaalsContact CB-O 3.32Å; T328-H401 WeakPolarHBondContact CB-O 3.3Å; T328-H401 WeakPolarHBondContact CG2-O 3.47Å; T328-H401 PolarHBondContact OG1-O 2.85Å; T330-H401 PolarHBondContact OG1-O 3.12Å; Q332-H401 PolarHBondContact OE1-ND1 2.96Å; H401-F409 CarbonylContact C-O 3.54Å; H401-F409 VanDerWaalsContact CA-O 3.23Å; H401-F409 WeakPolarHBondContact CA-O 3.49Å
402	E	97	Very high	96.5	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	154.7	173.6	-175.5	58	-73.6	0	0	109.9	T328 R329 F409 I411 F417 T421	T328-E402 VanDerWaalsContact CA-OE2 3.29Å; T328-E402 WeakPolarHBondContact CA-OE2 3.35Å; T328-E402 HydrophobicContact CG2-CB 4.22Å; R329-E402 WeakPolarHBondContact CB-OE1 3.32Å; R329-E402 PolarHBondContact N-OE1 3.25Å; R329-E402 VanDerWaalsContact N-OE1 3.1Å; R329-E402 PolarHBondContact N-OE2 2.77Å; R329-E402 IonicContact NE-OE1 3.83Å; E402-F409 PolarHBondContact N-O 2.86Å; E402-F409 PolarHBondContact O-N 3.07Å; E402-I411 HydrophobicContact CB-CD1 3.66Å; E402-F417 HydrophobicContact CB-CE1 4.18Å; E402-F417 HydrophobicContact CB-CZ 4.1Å; E402-F417 HydrophobicContact CG-CE1 3.78Å; E402-F417 HydrophobicContact CG-CZ 3.97Å; E402-T421 HydrophobicContact CG-CG2 3.98Å; E402-T421 PolarHBondContact OE2-OG1 3.02Å
403	E	96.7	Very high	96.4	Very high	91 Å²	91	38.6 Å²	38.6	43%	0.425	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.5	170.5	-65	-172.6	165.9	0	0	109.7	R329 T330 L407 K408 T421	R329-E403 PolarHBondContact NH2-O 3.25Å; T330-E403 HydrophobicContact CG2-CG 4.03Å; E403-L407 CarbonylContact C-O 3.59Å; E403-L407 VanDerWaalsContact CA-O 3.3Å; E403-L407 WeakPolarHBondContact CA-O 3.34Å; E403-K408 HydrophobicContact CG-CG 4.33Å; E403-T421 WeakPolarHBondContact O-CG2 3.38Å
404	L	96.1	Very high	96	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	126.7	176.1	178.1	150.3	0	0	0	109.2	G406 L407 F409 F417 T421 A424 E425 Y428	L404-G406 PolarHBondContact O-N 2.94Å; L404-G406 VanDerWaalsContact O-N 3.16Å; L404-L407 PolarHBondContact N-O 3.18Å; L404-L407 WeakPolarHBondContact O-CB 3.32Å; L404-L407 PolarHBondContact O-N 3.37Å; L404-F409 HydrophobicContact CB-CD2 3.92Å; L404-F409 HydrophobicContact CB-CE2 3.76Å; L404-F409 HydrophobicContact CD2-CE2 4.03Å; L404-F409 HydrophobicContact CD2-CZ 4.41Å; L404-F409 HydrophobicContact CG-CE2 4.47Å; L404-F417 HydrophobicContact CB-CZ 4.36Å; L404-F417 HydrophobicContact CD1-CZ 4.1Å; L404-T421 HydrophobicContact CB-CG2 4.26Å; L404-T421 HydrophobicContact CD1-CG2 4.27Å; L404-A424 HydrophobicContact CD1-CB 4.05Å; L404-E425 WeakPolarHBondContact CA-OE1 3.27Å; L404-E425 HydrophobicContact CG-CG 3.95Å; L404-Y428 HydrophobicContact CD1-CD2 4.01Å; L404-Y428 HydrophobicContact CD1-CE2 3.78Å; L404-Y428 HydrophobicContact CD2-CD2 3.77Å; L404-Y428 HydrophobicContact CD2-CE2 4.2Å; L404-Y428 HydrophobicContact CG-CD2 4.46Å
405	L	95.8	Very high	95.6	Very high	57 Å²	57	35.4 Å²	35.4	30%	0.298	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	37.4	-177.7	-65.4	178.8	0	0	0	113.5	L407 E425 S429	L405-L407 PolarHBondContact O-N 3.19Å; L405-E425 HydrophobicContact CD2-CB 3.78Å; L405-E425 HydrophobicContact CD2-CG 3.95Å; L405-E425 HydrophobicContact CG-CB 4.28Å; L405-E425 HydrophobicContact CG-CG 4.04Å; L405-E425 PolarHBondContact N-OE1 3.38Å; L405-S429 WeakPolarHBondContact CD2-OG 3.41Å
406	G	95.1	Very high	95.3	Very high	75 Å²	75	40.5 Å²	40.5	77%	0.773	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	10.2	-178.9	0	0	0	0	0	115	L404	L404-G406 PolarHBondContact O-N 2.94Å; L404-G406 VanDerWaalsContact O-N 3.16Å
407	L	97.5	Very high	95.2	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.063	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	151.8	173.6	-58.1	-179.4	0	0	0	110.5	E403 L404 L405 F409 L455 N484	E403-L407 CarbonylContact C-O 3.59Å; E403-L407 VanDerWaalsContact CA-O 3.3Å; E403-L407 WeakPolarHBondContact CA-O 3.34Å; L404-L407 PolarHBondContact N-O 3.18Å; L404-L407 WeakPolarHBondContact O-CB 3.32Å; L404-L407 PolarHBondContact O-N 3.37Å; L405-L407 PolarHBondContact O-N 3.19Å; L407-F409 HydrophobicContact CB-CD2 4.38Å; L407-F409 HydrophobicContact CB-CE2 3.61Å; L407-F409 HydrophobicContact CB-CZ 4.05Å; L407-F409 HydrophobicContact CD1-CZ 4.23Å; L407-L455 HydrophobicContact CD1-CB 4.31Å; L407-L455 WeakPolarHBondContact CD1-O 3.48Å; L407-N484 VanDerWaalsContact CA-OD1 3.26Å; L407-N484 WeakPolarHBondContact CA-OD1 3.5Å; L407-N484 WeakPolarHBondContact CB-OD1 3.32Å; L407-N484 HydrophobicContact CD2-CB 4.09Å; L407-N484 WeakPolarHBondContact CD2-OD1 3.49Å
408	K	97.5	Very high	95.1	Very high	117 Å²	117	34.8 Å²	34.8	51%	0.509	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.2	177.9	-65.5	-178.5	179.2	-178.4	0	110.9	E403 N484	E403-K408 HydrophobicContact CG-CG 4.33Å; K408-N484 PolarHBondContact N-OD1 3.22Å; K408-N484 PolarHBondContact O-ND2 2.93Å
409	F	97.9	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.9	-178.8	-67.7	-90.9	0	0	0	110.7	H401 E402 L404 L407 F417 T452 L455 N480	H401-F409 CarbonylContact C-O 3.54Å; H401-F409 VanDerWaalsContact CA-O 3.23Å; H401-F409 WeakPolarHBondContact CA-O 3.49Å; E402-F409 PolarHBondContact N-O 2.86Å; E402-F409 PolarHBondContact O-N 3.07Å; L404-F409 HydrophobicContact CB-CD2 3.92Å; L404-F409 HydrophobicContact CB-CE2 3.76Å; L404-F409 HydrophobicContact CD2-CE2 4.03Å; L404-F409 HydrophobicContact CD2-CZ 4.41Å; L404-F409 HydrophobicContact CG-CE2 4.47Å; L407-F409 HydrophobicContact CB-CD2 4.38Å; L407-F409 HydrophobicContact CB-CE2 3.61Å; L407-F409 HydrophobicContact CB-CZ 4.05Å; L407-F409 HydrophobicContact CD1-CZ 4.23Å; F409-F417 HydrophobicContact CB-CE2 3.84Å; F409-F417 HydrophobicContact CB-CZ 4.38Å; F409-F417 HydrophobicContact CD1-CE2 4.48Å; F409-F417 HydrophobicContact CG-CE2 4.05Å; F409-T452 HydrophobicContact CD1-CG2 4.1Å; F409-T452 HydrophobicContact CE1-CG2 3.99Å; F409-T452 HydrophobicContact CZ-CG2 4.42Å; F409-L455 HydrophobicContact CE1-CB 4.21Å; F409-L455 HydrophobicContact CE1-CD1 3.87Å; F409-L455 HydrophobicContact CZ-CB 4.34Å; F409-N480 WeakPolarHBondContact CA-OD1 3.32Å; F409-N480 HydrophobicContact CD1-CB 4.09Å
410	R	97.1	Very high	95.2	Very high	46 Å²	46	31.6 Å²	31.6	17%	0.174	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	136.4	159.8	-167.9	-177.2	79.4	167.3	4.3	109.9	C399 I400 E475 D476 N480 L483	C399-R410 HydrophobicContact CB-CG 3.72Å; C399-R410 VanDerWaalsContact SG-CG 3.51Å; I400-R410 CarbonylContact O-C 3.03Å; I400-R410 WeakPolarHBondContact O-CA 3.39Å; R410-E475 PolarHBondContact NH2-O 2.85Å; R410-D476 IonicContact CZ-OD1 3.76Å; R410-D476 IonicContact NE-OD1 2.72Å; R410-D476 PolarHBondContact NE-OD1 3.5Å; R410-D476 IonicContact NH2-OD1 3.9Å; R410-D476 PolarHBondContact NH2-OD1 3.44Å; R410-N480 WeakPolarHBondContact CA-OD1 3.47Å; R410-N480 VanDerWaalsContact CB-OD1 3.27Å; R410-N480 WeakPolarHBondContact CB-OD1 3.34Å; R410-N480 PolarHBondContact N-OD1 3.03Å; R410-N480 PolarHBondContact O-ND2 3.32Å; R410-L483 HydrophobicContact CB-CD1 4.18Å
411	I	95.2	Very high	95.1	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	111.6	-178.2	-57.5	172.7	0	0	0	108.2	C399 I400 E402 S415 F417	C399-I411 WeakPolarHBondContact CA-O 3.27Å; C399-I411 WeakPolarHBondContact CB-O 3.37Å; I400-I411 HydrophobicContact CG1-CB 3.92Å; I400-I411 HydrophobicContact CG1-CG2 4.34Å; I400-I411 PolarHBondContact N-O 2.86Å; I400-I411 PolarHBondContact O-N 2.97Å; E402-I411 HydrophobicContact CB-CD1 3.66Å; I411-S415 WeakPolarHBondContact CG2-OG 3.4Å; I411-F417 HydrophobicContact CD1-CB 4.12Å; I411-F417 HydrophobicContact CD1-CD1 3.8Å; I411-F417 HydrophobicContact CD1-CD2 3.72Å; I411-F417 HydrophobicContact CD1-CE1 4.09Å; I411-F417 HydrophobicContact CD1-CE2 4.01Å; I411-F417 HydrophobicContact CD1-CG 3.6Å; I411-F417 HydrophobicContact CD1-CZ 4.18Å; I411-F417 HydrophobicContact CG1-CB 4.47Å; I411-F417 HydrophobicContact CG1-CD2 3.85Å; I411-F417 HydrophobicContact CG1-CE2 4.24Å; I411-F417 HydrophobicContact CG1-CG 4.13Å; I411-F417 HydrophobicContact CG2-CB 4.37Å
412	S	94.9	Very high	95.1	Very high	16 Å²	16	29.6 Å²	29.6	11%	0.112	16%	0.162	C	C	.	.			trans	-81.3	161.7	172.8	-64.5	0	0	0	0	112	H414 S415 D476	S412-H414 PolarHBondContact O-N 2.72Å; S412-S415 PolarHBondContact N-OG 3.21Å; S412-S415 VanDerWaalsContact N-OG 3.12Å; S412-S415 PolarHBondContact O-N 3.48Å; S412-S415 PolarHBondContact O-OG 3.39Å; S412-D476 WeakPolarHBondContact CB-OD2 3.3Å; S412-D476 PolarHBondContact N-OD2 3.27Å; S412-D476 VanDerWaalsContact OG-CG 3.23Å; S412-D476 PolarHBondContact OG-OD1 3.14Å; S412-D476 PolarHBondContact OG-OD2 2.81Å
413	P	92.8	Very high	95.2	Very high	12 Å²	12	29.5 Å²	29.5	8%	0.078	16%	0.162	C	C	.	.	S	Bend	trans	-54.8	-41.9	-173.2	-28.5	36.6	0	0	0	115.2	R326 M334 I336 H374	R326-P413 PolarHBondContact NH2-O 2.9Å; M334-P413 HydrophobicContact CE-CG 4.14Å; M334-P413 HydrophobicContact SD-CB 4.02Å; M334-P413 HydrophobicContact SD-CG 3.97Å; I336-P413 HydrophobicContact CD1-CB 3.72Å; I336-P413 HydrophobicContact CG1-CB 4.34Å; H374-P413 WeakPolarHBondContact NE2-CG 3.49Å
414	H	88.1	Confident	95.2	Very high	22 Å²	22	25.1 Å²	25.1	10%	0.102	14%	0.142	C	C	.	.	S	Bend	trans	-93.1	-15.3	-179.1	-64.6	-66	0	0	0	113.9	E387 C391 S412 E472	E387-H414 HydrophobicContact CG-CB 4.31Å; C391-H414 VanDerWaalsContact CB-NE2 3.33Å; C391-H414 WeakPolarHBondContact CB-NE2 3.41Å; S412-H414 PolarHBondContact O-N 2.72Å; H414-E472 WeakPolarHBondContact CB-OE2 3.48Å; H414-E472 IonicContact CD2-OE1 2.67Å; H414-E472 IonicContact CD2-OE2 2.64Å; H414-E472 PolarHBondContact N-OE2 3.34Å
415	S	89.5	Confident	95.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.			trans	-59.2	139.3	-179.3	72.6	0	0	0	0	112.5	R326 I411 S412 D476	R326-S415 PolarHBondContact NH1-O 3.41Å; R326-S415 PolarHBondContact NH2-O 2.91Å; I411-S415 WeakPolarHBondContact CG2-OG 3.4Å; S412-S415 PolarHBondContact N-OG 3.21Å; S412-S415 VanDerWaalsContact N-OG 3.12Å; S412-S415 PolarHBondContact O-N 3.48Å; S412-S415 PolarHBondContact O-OG 3.39Å; S415-D476 VanDerWaalsContact CB-OD2 3.26Å; S415-D476 WeakPolarHBondContact CB-OD2 3.27Å; S415-D476 PolarHBondContact OG-OD2 3.03Å
416	F	91	Very high	95.4	Very high	115 Å²	115	26.5 Å²	26.5	50%	0.504	15%	0.149	S	C	.	.			trans	-76.3	136.6	171.7	176.3	-96	0	0	0	110.6	Q418	F416-Q418 HydrophobicContact CE1-CG 4.38Å
417	F	93.6	Very high	95.6	Very high	7 Å²	7	22.9 Å²	22.9	3%	0.031	11%	0.113	C	C	.	.			trans	-143.2	146.5	169.6	-161.1	-96.1	0	0	0	108.4	E402 L404 F409 I411 V419 T421 T452	E402-F417 HydrophobicContact CB-CE1 4.18Å; E402-F417 HydrophobicContact CB-CZ 4.1Å; E402-F417 HydrophobicContact CG-CE1 3.78Å; E402-F417 HydrophobicContact CG-CZ 3.97Å; L404-F417 HydrophobicContact CB-CZ 4.36Å; L404-F417 HydrophobicContact CD1-CZ 4.1Å; F409-F417 HydrophobicContact CB-CE2 3.84Å; F409-F417 HydrophobicContact CB-CZ 4.38Å; F409-F417 HydrophobicContact CD1-CE2 4.48Å; F409-F417 HydrophobicContact CG-CE2 4.05Å; I411-F417 HydrophobicContact CD1-CB 4.12Å; I411-F417 HydrophobicContact CD1-CD1 3.8Å; I411-F417 HydrophobicContact CD1-CD2 3.72Å; I411-F417 HydrophobicContact CD1-CE1 4.09Å; I411-F417 HydrophobicContact CD1-CE2 4.01Å; I411-F417 HydrophobicContact CD1-CG 3.6Å; I411-F417 HydrophobicContact CD1-CZ 4.18Å; I411-F417 HydrophobicContact CG1-CB 4.47Å; I411-F417 HydrophobicContact CG1-CD2 3.85Å; I411-F417 HydrophobicContact CG1-CE2 4.24Å; I411-F417 HydrophobicContact CG1-CG 4.13Å; I411-F417 HydrophobicContact CG2-CB 4.37Å; F417-V419 PolarHBondContact O-N 3.28Å; F417-T421 HydrophobicContact CE1-CG2 4.49Å; F417-T452 HydrophobicContact CD2-CG2 3.85Å; F417-T452 HydrophobicContact CE2-CG2 3.46Å; F417-T452 VanDerWaalsContact CE2-CG2 3.46Å; F417-T452 HydrophobicContact CZ-CG2 4.25Å
418	Q	95.1	Very high	95.5	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.028	11%	0.11	C	C	.	.			trans	-62.3	132.4	-177.7	-73.9	-66.4	3	0	0	110.9	N248 F416 N420 A424 Y428	N248-Q418 PolarHBondContact ND2-O 3.23Å; N248-Q418 PolarHBondContact OD1-O 3.38Å; F416-Q418 HydrophobicContact CE1-CG 4.38Å; Q418-N420 PolarHBondContact O-N 3.12Å; Q418-A424 HydrophobicContact CB-CB 3.61Å; Q418-A424 HydrophobicContact CG-CB 3.87Å; Q418-Y428 WeakPolarHBondContact CG-OH 3.43Å
419	V	95.3	Very high	95.5	Very high	15 Å²	15	19 Å²	19	9%	0.091	10%	0.1	C	C	.	.	S	Bend	trans	-75.1	-10.5	-170.1	-56.1	0	0	0	0	114.1	R247 N248 K249 F417 F581	R247-V419 CarbonylContact C-O 3.57Å; R247-V419 VanDerWaalsContact CA-O 3.29Å; R247-V419 WeakPolarHBondContact CA-O 3.33Å; R247-V419 HydrophobicContact CG-CB 4.22Å; R247-V419 HydrophobicContact CG-CG2 4.5Å; N248-V419 VanDerWaalsContact CG-O 3.3Å; N248-V419 PolarHBondContact N-O 2.84Å; N248-V419 WeakPolarHBondContact OD1-CA 3.2Å; N248-V419 PolarHBondContact OD1-O 3.25Å; K249-V419 HydrophobicContact CB-CG1 4.19Å; F417-V419 PolarHBondContact O-N 3.28Å; V419-F581 HydrophobicContact CG2-CD1 4.01Å; V419-F581 HydrophobicContact CG2-CE1 3.5Å
420	N	97.5	Very high	95.5	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.016	10%	0.103	C	C	.	.			trans	-131	94.9	177.5	-176.4	-19.6	0	0	0	108	S240 Y246 Q418 G422 A423 A424 L580	S240-N420 PolarHBondContact OG-ND2 3.4Å; Y246-N420 HydrophobicContact CD2-CB 3.62Å; Y246-N420 VanDerWaalsContact CD2-ND2 3.34Å; Y246-N420 WeakPolarHBondContact CD2-ND2 3.36Å; Y246-N420 HydrophobicContact CE2-CB 4.23Å; Y246-N420 HydrophobicContact CG-CB 4.48Å; Q418-N420 PolarHBondContact O-N 3.12Å; N420-G422 VanDerWaalsContact C-N 3.33Å; N420-G422 PolarHBondContact O-N 3.09Å; N420-G422 PolarHBondContact OD1-N 3.21Å; N420-A423 HydrophobicContact CB-CB 4.12Å; N420-A423 PolarHBondContact O-N 3.45Å; N420-A423 PolarHBondContact OD1-N 2.83Å; N420-A423 VanDerWaalsContact OD1-N 3.15Å; N420-A424 WeakPolarHBondContact O-CB 3.28Å; N420-A424 PolarHBondContact O-N 2.8Å; N420-L580 HydrophobicContact CB-CG 4.24Å; N420-L580 WeakPolarHBondContact CB-O 3.23Å; N420-L580 PolarHBondContact ND2-O 2.81Å
421	T	96.8	Very high	95.4	Very high	7 Å²	7	17.1 Å²	17.1	4%	0.043	10%	0.095	C	C	.	.	H	α-helix	trans	-59.8	-43	-173.5	-45.3	0	0	0	0	111.7	N248 R329 E402 E403 L404 F417 A424 E425	N248-T421 PolarHBondContact ND2-OG1 3.45Å; R329-T421 VanDerWaalsContact NH2-CG2 3.29Å; E402-T421 HydrophobicContact CG-CG2 3.98Å; E402-T421 PolarHBondContact OE2-OG1 3.02Å; E403-T421 WeakPolarHBondContact O-CG2 3.38Å; L404-T421 HydrophobicContact CB-CG2 4.26Å; L404-T421 HydrophobicContact CD1-CG2 4.27Å; F417-T421 HydrophobicContact CE1-CG2 4.49Å; T421-A424 WeakPolarHBondContact O-CB 3.42Å; T421-A424 PolarHBondContact O-N 2.84Å; T421-E425 WeakPolarHBondContact O-CG 3.25Å; T421-E425 PolarHBondContact O-N 2.89Å
422	G	97.3	Very high	95.4	Very high	12 Å²	12	17.2 Å²	17.2	12%	0.124	10%	0.097	C	C	.	.	H	α-helix	trans	-65.3	-42.5	-179.1	0	0	0	0	0	113	N420 A424 E425 V426	N420-G422 VanDerWaalsContact C-N 3.33Å; N420-G422 PolarHBondContact O-N 3.09Å; N420-G422 PolarHBondContact OD1-N 3.21Å; G422-A424 VanDerWaalsContact C-N 3.34Å; G422-E425 WeakPolarHBondContact O-CB 3.49Å; G422-E425 PolarHBondContact O-N 2.91Å; G422-V426 PolarHBondContact O-N 2.86Å
423	A	97.9	Very high	95.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-71	-31.2	175.9	0	0	0	0	0	112.6	N420 E425 V426 L427 L580	N420-A423 HydrophobicContact CB-CB 4.12Å; N420-A423 PolarHBondContact O-N 3.45Å; N420-A423 PolarHBondContact OD1-N 2.83Å; N420-A423 VanDerWaalsContact OD1-N 3.15Å; A423-E425 VanDerWaalsContact C-N 3.33Å; A423-V426 WeakPolarHBondContact O-CB 3.43Å; A423-V426 PolarHBondContact O-N 2.68Å; A423-L427 PolarHBondContact O-N 2.96Å; A423-L580 HydrophobicContact CB-CB 4.42Å; A423-L580 HydrophobicContact CB-CD1 3.64Å; A423-L580 HydrophobicContact CB-CG 4.11Å
424	A	97.5	Very high	95.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-38.8	173.2	0	0	0	0	0	111.6	L404 Q418 N420 T421 G422 V426 L427 Y428 L580	L404-A424 HydrophobicContact CD1-CB 4.05Å; Q418-A424 HydrophobicContact CB-CB 3.61Å; Q418-A424 HydrophobicContact CG-CB 3.87Å; N420-A424 WeakPolarHBondContact O-CB 3.28Å; N420-A424 PolarHBondContact O-N 2.8Å; T421-A424 WeakPolarHBondContact O-CB 3.42Å; T421-A424 PolarHBondContact O-N 2.84Å; G422-A424 VanDerWaalsContact C-N 3.34Å; A424-V426 VanDerWaalsContact C-N 3.32Å; A424-V426 PolarHBondContact O-N 3.19Å; A424-L427 PolarHBondContact O-N 2.82Å; A424-Y428 HydrophobicContact CB-CD2 4.42Å; A424-Y428 HydrophobicContact CB-CE2 4.04Å; A424-Y428 WeakPolarHBondContact O-CB 3.44Å; A424-Y428 WeakPolarHBondContact O-CD2 3.37Å; A424-Y428 PolarHBondContact O-N 2.9Å; A424-L580 HydrophobicContact CB-CD1 4.36Å
425	E	97.9	Very high	95.7	Very high	41 Å²	41	21.1 Å²	21.1	19%	0.192	11%	0.113	C	C	.	.	H	α-helix	trans	-59.1	-42.8	173.4	-70	174.5	142.3	0	0	111.6	R329 L404 L405 T421 G422 A423 S429	R329-E425 IonicContact CZ-OE1 2.76Å; R329-E425 IonicContact CZ-OE2 3.92Å; R329-E425 IonicContact NH1-OE1 3.48Å; R329-E425 IonicContact NH1-OE2 3.31Å; R329-E425 PolarHBondContact NH1-OE2 3.23Å; R329-E425 VanDerWaalsContact NH2-CD 3.27Å; R329-E425 IonicContact NH2-OE1 3.05Å; R329-E425 PolarHBondContact NH2-OE1 3.29Å; R329-E425 IonicContact NH2-OE2 2.66Å; R329-E425 PolarHBondContact NH2-OE2 2.87Å; L404-E425 WeakPolarHBondContact CA-OE1 3.27Å; L404-E425 HydrophobicContact CG-CG 3.95Å; L405-E425 HydrophobicContact CD2-CB 3.78Å; L405-E425 HydrophobicContact CD2-CG 3.95Å; L405-E425 HydrophobicContact CG-CB 4.28Å; L405-E425 HydrophobicContact CG-CG 4.04Å; L405-E425 PolarHBondContact N-OE1 3.38Å; T421-E425 WeakPolarHBondContact O-CG 3.25Å; T421-E425 PolarHBondContact O-N 2.89Å; G422-E425 WeakPolarHBondContact O-CB 3.49Å; G422-E425 PolarHBondContact O-N 2.91Å; A423-E425 VanDerWaalsContact C-N 3.33Å; E425-S429 VanDerWaalsContact O-CB 3.31Å; E425-S429 WeakPolarHBondContact O-CB 3.32Å; E425-S429 PolarHBondContact O-N 2.82Å; E425-S429 PolarHBondContact O-OG 2.89Å
426	V	98.3	Very high	95.7	Very high	44 Å²	44	26.7 Å²	26.7	27%	0.267	14%	0.139	S	C	.	.	H	α-helix	trans	-61.7	-47.4	175.2	175.8	0	0	0	0	111.2	R238 P241 G422 A423 A424 A430 V578	R238-V426 HydrophobicContact CB-CG1 3.72Å; R238-V426 HydrophobicContact CG-CG1 4.17Å; P241-V426 HydrophobicContact CG-CG2 3.85Å; G422-V426 PolarHBondContact O-N 2.86Å; A423-V426 WeakPolarHBondContact O-CB 3.43Å; A423-V426 PolarHBondContact O-N 2.68Å; A424-V426 VanDerWaalsContact C-N 3.32Å; A424-V426 PolarHBondContact O-N 3.19Å; V426-A430 PolarHBondContact O-N 3.12Å; V426-A430 VanDerWaalsContact O-N 3.17Å; V426-V578 HydrophobicContact CB-CG1 4.32Å; V426-V578 HydrophobicContact CG1-CG1 4.1Å; V426-V578 HydrophobicContact CG1-CG2 4.49Å
427	L	98.1	Very high	95.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-47.1	179.3	177.3	62.8	0	0	0	112.1	A423 A424 A430 V431 V543 V578 E588 L590	A423-L427 PolarHBondContact O-N 2.96Å; A424-L427 PolarHBondContact O-N 2.82Å; L427-A430 WeakPolarHBondContact O-CB 3.35Å; L427-A430 PolarHBondContact O-N 2.77Å; L427-V431 VanDerWaalsContact O-CG2 3.32Å; L427-V431 WeakPolarHBondContact O-CG2 3.41Å; L427-V431 PolarHBondContact O-N 3.19Å; L427-V543 HydrophobicContact CD1-CG1 4.5Å; L427-V543 HydrophobicContact CD2-CG1 3.91Å; L427-V578 HydrophobicContact CB-CB 4.44Å; L427-V578 HydrophobicContact CB-CG1 4.34Å; L427-V578 HydrophobicContact CB-CG2 4.18Å; L427-V578 HydrophobicContact CD1-CB 4.41Å; L427-V578 HydrophobicContact CD1-CG2 3.88Å; L427-E588 HydrophobicContact CD2-CB 4.28Å; L427-E588 HydrophobicContact CD2-CG 4.31Å; L427-L590 HydrophobicContact CD1-CB 4.32Å
428	Y	97.3	Very high	95.8	Very high	2 Å²	2	26 Å²	26	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-73.9	-33.2	-174.8	-62.1	-16.3	0	0	0	112.6	L404 Q418 A424 A430 V431 G432 T452 I453	L404-Y428 HydrophobicContact CD1-CD2 4.01Å; L404-Y428 HydrophobicContact CD1-CE2 3.78Å; L404-Y428 HydrophobicContact CD2-CD2 3.77Å; L404-Y428 HydrophobicContact CD2-CE2 4.2Å; L404-Y428 HydrophobicContact CG-CD2 4.46Å; Q418-Y428 WeakPolarHBondContact CG-OH 3.43Å; A424-Y428 HydrophobicContact CB-CD2 4.42Å; A424-Y428 HydrophobicContact CB-CE2 4.04Å; A424-Y428 WeakPolarHBondContact O-CB 3.44Å; A424-Y428 WeakPolarHBondContact O-CD2 3.37Å; A424-Y428 PolarHBondContact O-N 2.9Å; Y428-A430 VanDerWaalsContact C-N 3.34Å; Y428-V431 WeakPolarHBondContact O-CB 3.43Å; Y428-V431 PolarHBondContact O-N 2.85Å; Y428-G432 PolarHBondContact O-N 3.3Å; Y428-T452 PolarHBondContact OH-OG1 2.89Å; Y428-I453 HydrophobicContact CD1-CD1 4.1Å; Y428-I453 HydrophobicContact CD1-CG1 3.59Å; Y428-I453 HydrophobicContact CD2-CG1 4.45Å; Y428-I453 HydrophobicContact CE1-CD1 3.66Å; Y428-I453 HydrophobicContact CE1-CG1 3.34Å; Y428-I453 HydrophobicContact CE2-CG1 4.26Å; Y428-I453 HydrophobicContact CG-CG1 4.13Å
429	S	96.7	Very high	95.8	Very high	44 Å²	44	31.4 Å²	31.4	31%	0.308	17%	0.166	S	C	.	.	H	α-helix	trans	-59	-47.2	168.2	-69.5	0	0	0	0	110.9	L405 E425 V431 G432 E433	L405-S429 WeakPolarHBondContact CD2-OG 3.41Å; E425-S429 VanDerWaalsContact O-CB 3.31Å; E425-S429 WeakPolarHBondContact O-CB 3.32Å; E425-S429 PolarHBondContact O-N 2.82Å; E425-S429 PolarHBondContact O-OG 2.89Å; S429-V431 PolarHBondContact O-N 3.14Å; S429-G432 PolarHBondContact O-N 2.9Å; S429-E433 WeakPolarHBondContact O-CG 3.42Å; S429-E433 PolarHBondContact O-N 3.23Å
430	A	96.8	Very high	95.7	Very high	7 Å²	7	35.9 Å²	35.9	6%	0.058	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-40.7	176.9	0	0	0	0	0	112.8	V426 L427 Y428 G432 E433 W434 M576 L590	V426-A430 PolarHBondContact O-N 3.12Å; V426-A430 VanDerWaalsContact O-N 3.17Å; L427-A430 WeakPolarHBondContact O-CB 3.35Å; L427-A430 PolarHBondContact O-N 2.77Å; Y428-A430 VanDerWaalsContact C-N 3.34Å; A430-G432 VanDerWaalsContact C-N 3.32Å; A430-G432 PolarHBondContact O-N 2.93Å; A430-E433 PolarHBondContact O-N 3.26Å; A430-W434 WeakPolarHBondContact O-CB 3.47Å; A430-W434 VanDerWaalsContact O-CD1 3.23Å; A430-W434 PolarHBondContact O-N 3.21Å; A430-M576 HydrophobicContact CB-CE 4.03Å; A430-M576 HydrophobicContact CB-SD 3.52Å; A430-M576 VanDerWaalsContact CB-SD 3.52Å; A430-L590 HydrophobicContact CB-CD2 4.03Å
431	V	96.8	Very high	95.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-55	-48.1	172.4	166.3	0	0	0	0	110.9	L427 Y428 S429 W434 A435 I453 L457 I515 V541 V543 L590	L427-V431 VanDerWaalsContact O-CG2 3.32Å; L427-V431 WeakPolarHBondContact O-CG2 3.41Å; L427-V431 PolarHBondContact O-N 3.19Å; Y428-V431 WeakPolarHBondContact O-CB 3.43Å; Y428-V431 PolarHBondContact O-N 2.85Å; S429-V431 PolarHBondContact O-N 3.14Å; V431-W434 PolarHBondContact O-N 2.91Å; V431-A435 WeakPolarHBondContact O-CB 3.07Å; V431-A435 PolarHBondContact O-N 3.03Å; V431-I453 HydrophobicContact CG1-CG2 3.93Å; V431-L457 HydrophobicContact CG1-CD1 4.46Å; V431-I515 HydrophobicContact CG1-CD1 3.78Å; V431-I515 HydrophobicContact CG1-CG1 4.37Å; V431-I515 HydrophobicContact CG1-CG2 3.81Å; V431-V541 HydrophobicContact CG1-CG1 4.18Å; V431-V541 HydrophobicContact CG2-CG1 4.21Å; V431-V543 HydrophobicContact CG2-CG2 4.05Å; V431-L590 HydrophobicContact CG2-CD1 3.56Å; V431-L590 HydrophobicContact CG2-CD2 4.18Å
432	G	94.7	Very high	95.5	Very high	8 Å²	8	35.7 Å²	35.7	8%	0.082	19%	0.188	C	C	.	.	H	α-helix	trans	-66.4	-43.2	-179.4	0	0	0	0	0	113.6	Y428 S429 A430 W434	Y428-G432 PolarHBondContact O-N 3.3Å; S429-G432 PolarHBondContact O-N 2.9Å; A430-G432 VanDerWaalsContact C-N 3.32Å; A430-G432 PolarHBondContact O-N 2.93Å; G432-W434 PolarHBondContact O-N 3.19Å
433	E	94.2	Very high	95.5	Very high	128 Å²	128	35.1 Å²	35.1	60%	0.598	18%	0.182	S	C	*	.	H	α-helix	trans	-58.3	-37.9	171.7	-71.8	171	-163.6	0	0	111.1	S429 A430	S429-E433 WeakPolarHBondContact O-CG 3.42Å; S429-E433 PolarHBondContact O-N 3.23Å; A430-E433 PolarHBondContact O-N 3.26Å
434	W	95.1	Very high	95.4	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-82.9	-27.7	-171.9	-76.3	21.3	0	0	0	115.6	E235 A430 V431 G432 Q436 R574 M576 L590 L592	E235-W434 HydrophobicContact CG-CZ2 4.33Å; E235-W434 WeakPolarHBondContact OE1-CZ2 3.32Å; A430-W434 WeakPolarHBondContact O-CB 3.47Å; A430-W434 VanDerWaalsContact O-CD1 3.23Å; A430-W434 PolarHBondContact O-N 3.21Å; V431-W434 PolarHBondContact O-N 2.91Å; G432-W434 PolarHBondContact O-N 3.19Å; W434-Q436 PolarHBondContact O-N 3.12Å; W434-R574 VanDerWaalsContact CB-NH2 3.34Å; W434-R574 HydrophobicContact CD2-CG 4.38Å; W434-R574 VanDerWaalsContact CD2-CZ 3.47Å; W434-R574 HydrophobicContact CE3-CG 4.09Å; W434-R574 HydrophobicContact CH2-CB 4.36Å; W434-R574 HydrophobicContact CH2-CG 3.9Å; W434-R574 HydrophobicContact CZ2-CG 4.23Å; W434-R574 HydrophobicContact CZ3-CG 3.85Å; W434-R574 VanDerWaalsContact NE1-NH1 3.16Å; W434-R574 PolarHBondContact O-NH2 3.49Å; W434-M576 HydrophobicContact CD2-SD 4.44Å; W434-M576 HydrophobicContact CH2-CB 3.51Å; W434-M576 HydrophobicContact CH2-CG 3.31Å; W434-M576 HydrophobicContact CH2-SD 3.66Å; W434-M576 HydrophobicContact CZ2-CB 3.8Å; W434-M576 HydrophobicContact CZ2-CG 3.6Å; W434-M576 HydrophobicContact CZ2-SD 3.3Å; W434-M576 WeakPolarHBondContact CZ2-SD 3.44Å; W434-M576 HydrophobicContact CZ3-CG 3.97Å; W434-M576 HydrophobicContact CZ3-SD 4.32Å; W434-L590 HydrophobicContact CD2-CD2 3.79Å; W434-L590 HydrophobicContact CE3-CD2 3.38Å; W434-L590 HydrophobicContact CE3-CG 3.65Å; W434-L590 HydrophobicContact CG-CD2 4.42Å; W434-L590 HydrophobicContact CH2-CD2 4.32Å; W434-L590 HydrophobicContact CZ3-CB 4.16Å; W434-L590 HydrophobicContact CZ3-CD2 3.69Å; W434-L590 HydrophobicContact CZ3-CG 3.66Å; W434-L592 HydrophobicContact CE3-CB 4Å; W434-L592 HydrophobicContact CZ3-CB 4.37Å
435	A	92.4	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.6	-22.8	176.7	0	0	0	0	0	112.3	V431 L437 T513 R539 V541	V431-A435 WeakPolarHBondContact O-CB 3.07Å; V431-A435 PolarHBondContact O-N 3.03Å; A435-L437 HydrophobicContact CB-CD1 3.71Å; A435-L437 HydrophobicContact CB-CD2 3.82Å; A435-L437 HydrophobicContact CB-CG 3.49Å; A435-L437 VanDerWaalsContact CB-CG 3.49Å; A435-T513 HydrophobicContact CB-CG2 4.02Å; A435-R539 VanDerWaalsContact O-CD 3.27Å; A435-R539 WeakPolarHBondContact O-CD 3.42Å; A435-R539 PolarHBondContact O-NH1 3.49Å; A435-V541 HydrophobicContact CB-CG2 4.2Å
436	Q	89.4	Confident	95.4	Very high	118 Å²	118	33.3 Å²	33.3	55%	0.551	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.4	65.2	-172.7	-38.7	175.8	-28.1	0	0	111.7	W434 R539	W434-Q436 PolarHBondContact O-N 3.12Å; Q436-R539 VanDerWaalsContact CB-NH1 3.25Å
437	L	93.3	Very high	95.2	Very high	33 Å²	33	32.7 Å²	32.7	17%	0.173	17%	0.171	C	C	.	.			trans	-92.1	149.7	-174.3	-59	168.4	0	0	0	111.2	A435 V443 L457 V461 T513	A435-L437 HydrophobicContact CB-CD1 3.71Å; A435-L437 HydrophobicContact CB-CD2 3.82Å; A435-L437 HydrophobicContact CB-CG 3.49Å; A435-L437 VanDerWaalsContact CB-CG 3.49Å; L437-V443 HydrophobicContact CD1-CG2 3.72Å; L437-V443 HydrophobicContact CD2-CG2 3.69Å; L437-V443 HydrophobicContact CG-CG2 4.34Å; L437-L457 HydrophobicContact CD1-CB 4.26Å; L437-L457 HydrophobicContact CD1-CD1 4.06Å; L437-L457 HydrophobicContact CD1-CD2 3.97Å; L437-L457 HydrophobicContact CD1-CG 4.33Å; L437-V461 HydrophobicContact CB-CG1 3.69Å; L437-V461 HydrophobicContact CD1-CG1 3.83Å; L437-V461 HydrophobicContact CD2-CG1 4.29Å; L437-V461 HydrophobicContact CG-CG1 4.13Å; L437-T513 HydrophobicContact CD2-CG2 4.37Å
438	D	93.6	Very high	95	Very high	73 Å²	73	32.9 Å²	32.9	39%	0.39	17%	0.173	S	C	.	.			trans	-134.9	177	173.6	59.9	28.7	0	0	0	111	D440 S441 R460 V461 N511	D438-D440 PolarHBondContact O-N 3.26Å; D438-D440 VanDerWaalsContact O-N 3.08Å; D438-D440 WeakPolarHBondContact OD1-CA 3.4Å; D438-D440 PolarHBondContact OD1-N 3.21Å; D438-S441 PolarHBondContact N-OG 3.01Å; D438-S441 WeakPolarHBondContact O-CB 3.41Å; D438-S441 PolarHBondContact O-N 3.08Å; D438-S441 PolarHBondContact O-OG 3.27Å; D438-S441 PolarHBondContact OD1-N 2.92Å; D438-S441 PolarHBondContact OD1-OG 3.47Å; D438-R460 CarbonylContact C-O 3.59Å; D438-V461 WeakPolarHBondContact O-CA 3.42Å; D438-N511 PolarHBondContact OD1-ND2 2.81Å; D438-N511 PolarHBondContact OD2-ND2 3.22Å
439	Q	94.6	Very high	94.9	Very high	121 Å²	121	33 Å²	33	57%	0.565	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-7.8	-178.2	-67	-64.9	-20	0	0	114.2	K459 R460 K462	Q439-K459 PolarHBondContact NE2-O 3.46Å; Q439-R460 PolarHBondContact N-O 3.48Å; Q439-K462 WeakPolarHBondContact O-CA 3.39Å; Q439-K462 VanDerWaalsContact O-CB 3.25Å; Q439-K462 WeakPolarHBondContact O-CB 3.27Å; Q439-K462 PolarHBondContact O-N 3.19Å
440	D	93	Very high	94.8	Very high	109 Å²	109	31 Å²	31	58%	0.583	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-9.1	174.1	-71.9	-45.7	0	0	0	112.7	D438	D438-D440 PolarHBondContact O-N 3.26Å; D438-D440 VanDerWaalsContact O-N 3.08Å; D438-D440 WeakPolarHBondContact OD1-CA 3.4Å; D438-D440 PolarHBondContact OD1-N 3.21Å
441	S	94.9	Very high	94.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.			trans	-72.3	141.2	-177.5	-60.7	0	0	0	0	112.1	D438 V461 K462 K463 N511	D438-S441 PolarHBondContact N-OG 3.01Å; D438-S441 WeakPolarHBondContact O-CB 3.41Å; D438-S441 PolarHBondContact O-N 3.08Å; D438-S441 PolarHBondContact O-OG 3.27Å; D438-S441 PolarHBondContact OD1-N 2.92Å; D438-S441 PolarHBondContact OD1-OG 3.47Å; S441-V461 WeakPolarHBondContact O-CB 3.32Å; S441-K462 VanDerWaalsContact O-CB 3.29Å; S441-K462 WeakPolarHBondContact O-CB 3.45Å; S441-K462 PolarHBondContact O-N 3.48Å; S441-K463 PolarHBondContact O-N 2.83Å; S441-N511 WeakPolarHBondContact CA-O 3.37Å; S441-N511 PolarHBondContact OG-ND2 3.36Å
442	T	95.9	Very high	94.7	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.037	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.2	163.5	-58	0	0	0	0	109.8	K463 I465 L507 S509 N511 V512 T513	T442-K463 CarbonylContact C-O 3.51Å; T442-K463 WeakPolarHBondContact CA-O 3.29Å; T442-K463 HydrophobicContact CG2-CB 4.24Å; T442-I465 HydrophobicContact CG2-CD1 4.14Å; T442-L507 HydrophobicContact CG2-CD2 3.97Å; T442-S509 PolarHBondContact OG1-OG 2.98Å; T442-N511 PolarHBondContact N-O 2.84Å; T442-V512 WeakPolarHBondContact O-CA 3.46Å; T442-T513 PolarHBondContact O-N 2.8Å
443	V	97	Very high	94.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.1	176.1	174.9	0	0	0	0	110.2	L437 V461 K463 V464 I465 T513 I515	L437-V443 HydrophobicContact CD1-CG2 3.72Å; L437-V443 HydrophobicContact CD2-CG2 3.69Å; L437-V443 HydrophobicContact CG-CG2 4.34Å; V443-V461 HydrophobicContact CG2-CB 4.46Å; V443-V461 HydrophobicContact CG2-CG1 3.9Å; V443-V461 HydrophobicContact CG2-CG2 4.38Å; V443-K463 PolarHBondContact N-O 3.22Å; V443-V464 HydrophobicContact CB-CG2 4.4Å; V443-V464 CarbonylContact O-C 3.54Å; V443-V464 WeakPolarHBondContact O-CA 3.44Å; V443-I465 PolarHBondContact O-N 3.41Å; V443-T513 WeakPolarHBondContact CA-O 3.41Å; V443-I515 HydrophobicContact CG1-CD1 3.68Å; V443-I515 HydrophobicContact CG1-CG1 4.18Å
444	L	97.1	Very high	95	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	110.3	166.4	-63	179.6	0	0	0	108.8	I465 F500 I503 L504 L507 V512 T513 A514 I515	L444-I465 WeakPolarHBondContact CA-O 3.47Å; L444-I465 HydrophobicContact CD2-CB 3.88Å; L444-I465 HydrophobicContact CD2-CD1 4.11Å; L444-I465 HydrophobicContact CD2-CG2 4.35Å; L444-F500 HydrophobicContact CB-CE2 4.22Å; L444-F500 HydrophobicContact CD1-CE2 3.78Å; L444-F500 HydrophobicContact CD1-CZ 4.21Å; L444-I503 HydrophobicContact CD2-CG2 4.12Å; L444-L504 HydrophobicContact CD1-CD2 3.59Å; L444-L504 HydrophobicContact CD1-CG 3.98Å; L444-L507 HydrophobicContact CD1-CD1 4.37Å; L444-L507 HydrophobicContact CD2-CD1 3.62Å; L444-L507 HydrophobicContact CG-CD1 4.42Å; L444-V512 HydrophobicContact CD1-CG1 3.67Å; L444-V512 HydrophobicContact CG-CG1 3.79Å; L444-T513 PolarHBondContact N-O 2.8Å; L444-A514 HydrophobicContact CB-CB 4.3Å; L444-A514 CarbonylContact O-C 3.48Å; L444-A514 WeakPolarHBondContact O-CA 3.44Å; L444-I515 PolarHBondContact O-N 3.07Å; L444-I515 VanDerWaalsContact O-O 3.09Å
445	D	97.6	Very high	95.1	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	101.7	178.9	-171.6	4	0	0	0	109.4	C448 G454 I465 G466 I467	D445-C448 HydrophobicContact CB-CB 3.96Å; D445-C448 VanDerWaalsContact OD2-CB 3.3Å; D445-C448 WeakPolarHBondContact OD2-CB 3.49Å; D445-G454 WeakPolarHBondContact OD2-CA 3.35Å; D445-G454 PolarHBondContact OD2-N 3.49Å; D445-I465 PolarHBondContact N-O 2.98Å; D445-G466 CarbonylContact O-C 3.58Å; D445-G466 VanDerWaalsContact O-CA 3.28Å; D445-G466 WeakPolarHBondContact O-CA 3.47Å; D445-I467 PolarHBondContact O-N 3.22Å
446	V	96.3	Very high	95.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.2	-173.9	-171	0	0	0	0	110.1	A496 F500 I515 V516 D517 L523	V446-A496 HydrophobicContact CG1-CB 3.86Å; V446-F500 HydrophobicContact CG2-CD2 3.67Å; V446-F500 HydrophobicContact CG2-CE2 3.38Å; V446-F500 HydrophobicContact CG2-CZ 4.11Å; V446-I515 PolarHBondContact N-O 3.31Å; V446-V516 HydrophobicContact CB-CB 4.4Å; V446-V516 HydrophobicContact CB-CG1 3.81Å; V446-V516 HydrophobicContact CG2-CG1 3.94Å; V446-D517 PolarHBondContact O-N 3.45Å; V446-L523 HydrophobicContact CG1-CD2 4.21Å
447	C	94.8	Very high	95.7	Very high	31 Å²	31	19.8 Å²	19.8	21%	0.209	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	47.4	-166.5	-56.4	0	0	0	0	110.5	G449 I467 D517	C447-G449 PolarHBondContact O-N 2.82Å; C447-I467 VanDerWaalsContact CA-O 3.29Å; C447-I467 WeakPolarHBondContact CA-O 3.11Å; C447-I467 PolarHBondContact N-O 3.39Å; C447-D517 VanDerWaalsContact CB-O 3.32Å; C447-D517 WeakPolarHBondContact CB-O 3.28Å
448	C	94.8	Very high	95.9	Very high	5 Å²	5	18.2 Å²	18.2	3%	0.034	10%	0.099	C	C	.	.			trans	-72.5	-8.5	-168.4	65.7	0	0	0	0	114.5	D445 T450 G451 I467	D445-C448 HydrophobicContact CB-CB 3.96Å; D445-C448 VanDerWaalsContact OD2-CB 3.3Å; D445-C448 WeakPolarHBondContact OD2-CB 3.49Å; C448-T450 PolarHBondContact O-N 2.78Å; C448-G451 WeakPolarHBondContact O-CA 3.33Å; C448-G451 PolarHBondContact O-N 3.5Å; C448-I467 PolarHBondContact N-O 3.44Å; C448-I467 VanDerWaalsContact N-O 3.1Å; C448-I467 PolarHBondContact SG-N 3.32Å
449	G	93.8	Very high	96	Very high	5 Å²	5	21.6 Å²	21.6	5%	0.052	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	-130.4	-174.8	0	0	0	0	0	111.5	C447 G451 E468	C447-G449 PolarHBondContact O-N 2.82Å; G449-G451 PolarHBondContact O-N 2.95Å; G449-G451 VanDerWaalsContact O-N 3.13Å; G449-E468 WeakPolarHBondContact CA-OE2 3.33Å; G449-E468 PolarHBondContact N-OE2 3.44Å
450	T	94.8	Very high	96.1	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	15.3	175.6	63.1	0	0	0	0	114.1	C448 A473 D476 A477 N480	C448-T450 PolarHBondContact O-N 2.78Å; T450-A473 HydrophobicContact CG2-CB 4.43Å; T450-D476 HydrophobicContact CG2-CB 3.76Å; T450-A477 WeakPolarHBondContact O-CA 3.45Å; T450-N480 PolarHBondContact O-ND2 3.44Å; T450-N480 VanDerWaalsContact O-ND2 3.15Å
451	G	95.9	Very high	96.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	20.1	176.6	0	0	0	0	0	114.7	C448 G449 I453 L455	C448-G451 WeakPolarHBondContact O-CA 3.33Å; C448-G451 PolarHBondContact O-N 3.5Å; G449-G451 PolarHBondContact O-N 2.95Å; G449-G451 VanDerWaalsContact O-N 3.13Å; G451-I453 PolarHBondContact O-N 3.17Å; G451-L455 WeakPolarHBondContact O-CB 3.29Å; G451-L455 WeakPolarHBondContact O-CG 3.35Å; G451-L455 PolarHBondContact O-N 3.06Å
452	T	96.3	Very high	96.3	Very high	10 Å²	10	22.1 Å²	22.1	6%	0.061	10%	0.102	C	C	.	.	H	α-helix	trans	-56.6	-48.4	-171.4	51.6	0	0	0	0	113.4	F409 F417 Y428 S456	F409-T452 HydrophobicContact CD1-CG2 4.1Å; F409-T452 HydrophobicContact CE1-CG2 3.99Å; F409-T452 HydrophobicContact CZ-CG2 4.42Å; F417-T452 HydrophobicContact CD2-CG2 3.85Å; F417-T452 HydrophobicContact CE2-CG2 3.46Å; F417-T452 VanDerWaalsContact CE2-CG2 3.46Å; F417-T452 HydrophobicContact CZ-CG2 4.25Å; Y428-T452 PolarHBondContact OH-OG1 2.89Å; T452-S456 WeakPolarHBondContact O-CB 3.48Å; T452-S456 PolarHBondContact O-N 2.96Å; T452-S456 PolarHBondContact O-OG 2.87Å
453	I	97.1	Very high	96.4	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.015	12%	0.116	C	C	.	.	H	α-helix	trans	-69.4	-58.6	-179.2	-60.5	174.3	0	0	0	109.8	Y428 V431 G451 L455 S456 L457 I515 D517	Y428-I453 HydrophobicContact CD1-CD1 4.1Å; Y428-I453 HydrophobicContact CD1-CG1 3.59Å; Y428-I453 HydrophobicContact CD2-CG1 4.45Å; Y428-I453 HydrophobicContact CE1-CD1 3.66Å; Y428-I453 HydrophobicContact CE1-CG1 3.34Å; Y428-I453 HydrophobicContact CE2-CG1 4.26Å; Y428-I453 HydrophobicContact CG-CG1 4.13Å; V431-I453 HydrophobicContact CG1-CG2 3.93Å; G451-I453 PolarHBondContact O-N 3.17Å; I453-L455 PolarHBondContact O-N 2.84Å; I453-S456 PolarHBondContact O-N 2.87Å; I453-S456 VanDerWaalsContact O-N 3.13Å; I453-S456 PolarHBondContact O-OG 2.93Å; I453-L457 HydrophobicContact CG2-CD1 3.9Å; I453-L457 WeakPolarHBondContact O-CG 3.3Å; I453-L457 PolarHBondContact O-N 2.91Å; I453-I515 HydrophobicContact CD1-CG2 4.49Å; I453-I515 HydrophobicContact CG2-CD1 4.15Å; I453-I515 HydrophobicContact CG2-CG2 3.98Å; I453-D517 HydrophobicContact CD1-CB 3.94Å
454	G	97.4	Very high	96.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-55	-47.1	-177.8	0	0	0	0	0	113.5	D445 S456 L457 A458	D445-G454 WeakPolarHBondContact OD2-CA 3.35Å; D445-G454 PolarHBondContact OD2-N 3.49Å; G454-S456 VanDerWaalsContact C-N 3.34Å; G454-S456 PolarHBondContact O-N 2.83Å; G454-L457 PolarHBondContact O-N 3.1Å; G454-L457 VanDerWaalsContact O-N 3.08Å; G454-A458 PolarHBondContact O-N 2.9Å
455	L	98	Very high	96.4	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-65.1	-36.4	179.2	-63.3	-179.5	0	0	0	112.1	L407 F409 G451 I453 L457 A458 N480 A481 L486 V489 F491	L407-L455 HydrophobicContact CD1-CB 4.31Å; L407-L455 WeakPolarHBondContact CD1-O 3.48Å; F409-L455 HydrophobicContact CE1-CB 4.21Å; F409-L455 HydrophobicContact CE1-CD1 3.87Å; F409-L455 HydrophobicContact CZ-CB 4.34Å; G451-L455 WeakPolarHBondContact O-CB 3.29Å; G451-L455 WeakPolarHBondContact O-CG 3.35Å; G451-L455 PolarHBondContact O-N 3.06Å; I453-L455 PolarHBondContact O-N 2.84Å; L455-L457 PolarHBondContact O-N 2.84Å; L455-A458 WeakPolarHBondContact O-CB 3.46Å; L455-A458 PolarHBondContact O-N 2.86Å; L455-N480 HydrophobicContact CD1-CB 3.4Å; L455-N480 VanDerWaalsContact CD1-CB 3.4Å; L455-A481 HydrophobicContact CD2-CB 3.92Å; L455-L486 HydrophobicContact CB-CD1 3.99Å; L455-L486 HydrophobicContact CD2-CD1 3.8Å; L455-L486 HydrophobicContact CG-CD1 4.43Å; L455-V489 HydrophobicContact CD2-CB 4.19Å; L455-V489 HydrophobicContact CD2-CG1 3.96Å; L455-V489 HydrophobicContact CD2-CG2 3.85Å; L455-F491 HydrophobicContact CD1-CZ 4.48Å; L455-F491 HydrophobicContact CD2-CE2 4.17Å; L455-F491 HydrophobicContact CD2-CZ 3.78Å; L455-F491 HydrophobicContact CG-CZ 4.09Å
456	S	97.2	Very high	96.5	Very high	15 Å²	15	25.7 Å²	25.7	11%	0.105	12%	0.118	C	C	.	.	H	α-helix	trans	-64.5	-20.1	174.6	79.8	0	0	0	0	113.7	T452 I453 G454 R460	T452-S456 WeakPolarHBondContact O-CB 3.48Å; T452-S456 PolarHBondContact O-N 2.96Å; T452-S456 PolarHBondContact O-OG 2.87Å; I453-S456 PolarHBondContact O-N 2.87Å; I453-S456 VanDerWaalsContact O-N 3.13Å; I453-S456 PolarHBondContact O-OG 2.93Å; G454-S456 VanDerWaalsContact C-N 3.34Å; G454-S456 PolarHBondContact O-N 2.83Å; S456-R460 PolarHBondContact O-NH2 3.21Å
457	L	97.1	Very high	96.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-100.1	-17.2	179.6	-60.4	169.1	0	0	0	112.7	V431 L437 I453 G454 L455 K459 R460 I515	V431-L457 HydrophobicContact CG1-CD1 4.46Å; L437-L457 HydrophobicContact CD1-CB 4.26Å; L437-L457 HydrophobicContact CD1-CD1 4.06Å; L437-L457 HydrophobicContact CD1-CD2 3.97Å; L437-L457 HydrophobicContact CD1-CG 4.33Å; I453-L457 HydrophobicContact CG2-CD1 3.9Å; I453-L457 WeakPolarHBondContact O-CG 3.3Å; I453-L457 PolarHBondContact O-N 2.91Å; G454-L457 PolarHBondContact O-N 3.1Å; G454-L457 VanDerWaalsContact O-N 3.08Å; L455-L457 PolarHBondContact O-N 2.84Å; L457-K459 VanDerWaalsContact C-N 3.29Å; L457-K459 PolarHBondContact O-N 3.1Å; L457-K459 VanDerWaalsContact O-N 3.12Å; L457-R460 WeakPolarHBondContact O-CB 3.33Å; L457-R460 PolarHBondContact O-N 3.49Å; L457-I515 HydrophobicContact CD1-CD1 3.27Å
458	A	97.4	Very high	96.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-53.3	-38.6	-170.2	0	0	0	0	0	114.2	G454 L455 R460 V461 V464 L486 N488 V489	G454-A458 PolarHBondContact O-N 2.9Å; L455-A458 WeakPolarHBondContact O-CB 3.46Å; L455-A458 PolarHBondContact O-N 2.86Å; A458-R460 PolarHBondContact O-N 3.25Å; A458-V461 PolarHBondContact O-N 3.46Å; A458-V464 HydrophobicContact CB-CG2 4.07Å; A458-L486 HydrophobicContact CB-CD1 3.83Å; A458-L486 HydrophobicContact CB-CD2 3.88Å; A458-L486 HydrophobicContact CB-CG 4.3Å; A458-N488 PolarHBondContact O-ND2 2.86Å; A458-V489 HydrophobicContact CB-CG1 3.68Å
459	K	95.9	Very high	96.4	Very high	145 Å²	145	30.7 Å²	30.7	63%	0.63	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	-67.2	-16.2	179.2	-64.9	-176.1	178.9	177.4	0	114.3	Q439 L457 L486	Q439-K459 PolarHBondContact NE2-O 3.46Å; L457-K459 VanDerWaalsContact C-N 3.29Å; L457-K459 PolarHBondContact O-N 3.1Å; L457-K459 VanDerWaalsContact O-N 3.12Å; K459-L486 HydrophobicContact CG-CD2 3.9Å
460	R	95.6	Very high	96.2	Very high	108 Å²	108	31.6 Å²	31.6	41%	0.408	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-100	-5.8	-175.7	-67.9	178	-82.8	-148.6	-7.5	113.4	D438 Q439 S456 L457 A458	D438-R460 CarbonylContact C-O 3.59Å; Q439-R460 PolarHBondContact N-O 3.48Å; S456-R460 PolarHBondContact O-NH2 3.21Å; L457-R460 WeakPolarHBondContact O-CB 3.33Å; L457-R460 PolarHBondContact O-N 3.49Å; A458-R460 PolarHBondContact O-N 3.25Å
461	V	96.8	Very high	96	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	17%	0.166	C	C	.	.	S	Bend	trans	-133.5	159	-166.3	-59.8	0	0	0	0	112.9	L437 D438 S441 V443 A458 V464 N488	L437-V461 HydrophobicContact CB-CG1 3.69Å; L437-V461 HydrophobicContact CD1-CG1 3.83Å; L437-V461 HydrophobicContact CD2-CG1 4.29Å; L437-V461 HydrophobicContact CG-CG1 4.13Å; D438-V461 WeakPolarHBondContact O-CA 3.42Å; S441-V461 WeakPolarHBondContact O-CB 3.32Å; V443-V461 HydrophobicContact CG2-CB 4.46Å; V443-V461 HydrophobicContact CG2-CG1 3.9Å; V443-V461 HydrophobicContact CG2-CG2 4.38Å; A458-V461 PolarHBondContact O-N 3.46Å; V461-V464 HydrophobicContact CG2-CG2 3.59Å; V461-N488 PolarHBondContact O-ND2 3.45Å
462	K	96.4	Very high	95.7	Very high	130 Å²	130	38.9 Å²	38.9	57%	0.565	18%	0.18	S	C	*	.	S	Bend	trans	-62.9	-47.4	175.3	-168	171.1	-179.8	169	0	112	Q439 S441 N488	Q439-K462 WeakPolarHBondContact O-CA 3.39Å; Q439-K462 VanDerWaalsContact O-CB 3.25Å; Q439-K462 WeakPolarHBondContact O-CB 3.27Å; Q439-K462 PolarHBondContact O-N 3.19Å; S441-K462 VanDerWaalsContact O-CB 3.29Å; S441-K462 WeakPolarHBondContact O-CB 3.45Å; S441-K462 PolarHBondContact O-N 3.48Å; K462-N488 WeakPolarHBondContact O-CB 3.29Å
463	K	96.7	Very high	95.6	Very high	75 Å²	75	38.4 Å²	38.4	33%	0.326	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	143.8	-174.4	-169.6	173.6	-178.6	-178.2	0	111.7	S441 T442 V443 I465 N488 E490	S441-K463 PolarHBondContact O-N 2.83Å; T442-K463 CarbonylContact C-O 3.51Å; T442-K463 WeakPolarHBondContact CA-O 3.29Å; T442-K463 HydrophobicContact CG2-CB 4.24Å; V443-K463 PolarHBondContact N-O 3.22Å; K463-I465 HydrophobicContact CD-CD1 4.25Å; K463-I465 HydrophobicContact CD-CG1 4.2Å; K463-I465 HydrophobicContact CG-CG1 4.25Å; K463-N488 CarbonylContact C-O 3.57Å; K463-N488 VanDerWaalsContact CA-O 3.31Å; K463-N488 WeakPolarHBondContact CA-O 3.35Å; K463-E490 VanDerWaalsContact CE-OE2 3.29Å; K463-E490 WeakPolarHBondContact CE-OE2 3.29Å; K463-E490 IonicContact NZ-OE2 3.79Å; K463-E490 PolarHBondContact NZ-OE2 2.84Å
464	V	97.9	Very high	95.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.5	167.8	-177.2	0	0	0	0	109	V443 A458 V461 N488 V489 E490	V443-V464 HydrophobicContact CB-CG2 4.4Å; V443-V464 CarbonylContact O-C 3.54Å; V443-V464 WeakPolarHBondContact O-CA 3.44Å; A458-V464 HydrophobicContact CB-CG2 4.07Å; V461-V464 HydrophobicContact CG2-CG2 3.59Å; V464-N488 PolarHBondContact N-O 2.84Å; V464-V489 HydrophobicContact CB-CB 4.24Å; V464-V489 HydrophobicContact CB-CG1 3.83Å; V464-V489 HydrophobicContact CG2-CG1 4.07Å; V464-V489 CarbonylContact O-C 3.55Å; V464-V489 WeakPolarHBondContact O-CA 3.19Å; V464-E490 PolarHBondContact O-N 3.17Å
465	I	97.6	Very high	95.4	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.041	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	110.7	173.3	-60.1	162	0	0	0	108.1	T442 V443 L444 D445 K463 E490 I503 L507	T442-I465 HydrophobicContact CG2-CD1 4.14Å; V443-I465 PolarHBondContact O-N 3.41Å; L444-I465 WeakPolarHBondContact CA-O 3.47Å; L444-I465 HydrophobicContact CD2-CB 3.88Å; L444-I465 HydrophobicContact CD2-CD1 4.11Å; L444-I465 HydrophobicContact CD2-CG2 4.35Å; D445-I465 PolarHBondContact N-O 2.98Å; K463-I465 HydrophobicContact CD-CD1 4.25Å; K463-I465 HydrophobicContact CD-CG1 4.2Å; K463-I465 HydrophobicContact CG-CG1 4.25Å; I465-E490 CarbonylContact C-O 3.55Å; I465-E490 WeakPolarHBondContact CA-O 3.39Å; I465-E490 HydrophobicContact CG1-CB 4.5Å; I465-I503 HydrophobicContact CD1-CG2 4.43Å; I465-I503 HydrophobicContact CG2-CD1 4.13Å; I465-I503 HydrophobicContact CG2-CG2 3.97Å; I465-L507 HydrophobicContact CD1-CD1 3.79Å; I465-L507 HydrophobicContact CD1-CG 4.37Å
466	G	97.8	Very high	95.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	142.6	178.4	0	0	0	0	0	112.5	D445 E490 F491 H492	D445-G466 CarbonylContact O-C 3.58Å; D445-G466 VanDerWaalsContact O-CA 3.28Å; D445-G466 WeakPolarHBondContact O-CA 3.47Å; G466-E490 PolarHBondContact N-O 3.21Å; G466-F491 WeakPolarHBondContact O-CA 3.04Å; G466-H492 PolarHBondContact O-N 2.9Å
467	I	97.3	Very high	95.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125.1	174.4	-57	167.1	0	0	0	108.8	D445 C447 C448 H492 V499 F500 I503	D445-I467 PolarHBondContact O-N 3.22Å; C447-I467 VanDerWaalsContact CA-O 3.29Å; C447-I467 WeakPolarHBondContact CA-O 3.11Å; C447-I467 PolarHBondContact N-O 3.39Å; C448-I467 PolarHBondContact N-O 3.44Å; C448-I467 VanDerWaalsContact N-O 3.1Å; C448-I467 PolarHBondContact SG-N 3.32Å; I467-H492 WeakPolarHBondContact CA-O 3.44Å; I467-V499 HydrophobicContact CG2-CB 4.22Å; I467-V499 HydrophobicContact CG2-CG1 4.42Å; I467-F500 HydrophobicContact CD1-CB 3.75Å; I467-F500 HydrophobicContact CD1-CD2 3.49Å; I467-F500 VanDerWaalsContact CD1-CD2 3.49Å; I467-F500 HydrophobicContact CD1-CG 4.1Å; I467-I503 HydrophobicContact CD1-CD1 3.65Å; I467-I503 HydrophobicContact CG1-CD1 3.76Å
468	E	95.5	Very high	95.4	Very high	30 Å²	30	47 Å²	47	14%	0.14	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	143.9	-178.2	174	49.7	-122.5	0	0	110.3	G449 C470 A473 V474 H492 C493 G494	G449-E468 WeakPolarHBondContact CA-OE2 3.33Å; G449-E468 PolarHBondContact N-OE2 3.44Å; E468-C470 HydrophobicContact CG-CB 4.32Å; E468-C470 PolarHBondContact OE1-N 2.91Å; E468-A473 HydrophobicContact CG-CB 3.77Å; E468-V474 HydrophobicContact CB-CG2 3.68Å; E468-V474 HydrophobicContact CG-CG2 4.09Å; E468-H492 PolarHBondContact N-O 3.47Å; E468-H492 VanDerWaalsContact N-O 3.1Å; E468-C493 CarbonylContact O-C 3.6Å; E468-C493 VanDerWaalsContact O-CA 3.29Å; E468-C493 WeakPolarHBondContact O-CA 3.26Å; E468-G494 CarbonylContact C-O 3.54Å; E468-G494 PolarHBondContact O-N 3.25Å
469	L	92.4	Very high	95.4	Very high	110 Å²	110	50.4 Å²	50.4	58%	0.576	23%	0.231	S	C	*	.	S	Bend	trans	-78.3	-39.4	179.6	177.6	63.5	0	0	0	111.8	Q471 K495	L469-Q471 PolarHBondContact O-N 3.48Å; L469-K495 HydrophobicContact CD1-CB 4.47Å; L469-K495 HydrophobicContact CD1-CG 3.64Å
470	C	89.1	Confident	95.5	Very high	24 Å²	24	43.5 Å²	43.5	16%	0.162	20%	0.201	C	C	.	.			trans	-78.4	117.6	-176.5	-179.9	0	0	0	0	111.2	E468 E472 A473 V474	E468-C470 HydrophobicContact CG-CB 4.32Å; E468-C470 PolarHBondContact OE1-N 2.91Å; C470-E472 PolarHBondContact O-N 2.74Å; C470-A473 HydrophobicContact CB-CB 3.82Å; C470-A473 WeakPolarHBondContact O-CB 3.45Å; C470-A473 PolarHBondContact O-N 3.24Å; C470-V474 PolarHBondContact O-N 3.34Å
471	Q	90.6	Very high	95.6	Very high	91 Å²	91	38.7 Å²	38.7	43%	0.425	18%	0.184	S	C	.	.	H	α-helix	trans	-60.8	-43.6	180	179.3	61.6	35.2	0	0	112.5	L469 A473 V474 E475 C493	L469-Q471 PolarHBondContact O-N 3.48Å; Q471-A473 VanDerWaalsContact C-N 3.28Å; Q471-A473 PolarHBondContact O-N 3.27Å; Q471-V474 PolarHBondContact O-N 3.5Å; Q471-V474 VanDerWaalsContact O-N 3.17Å; Q471-E475 WeakPolarHBondContact CG-OE1 3.32Å; Q471-E475 PolarHBondContact NE2-OE1 3.11Å; Q471-E475 WeakPolarHBondContact O-CG 3.47Å; Q471-E475 PolarHBondContact O-N 2.83Å; Q471-C493 VanDerWaalsContact OE1-CB 3.22Å; Q471-C493 PolarHBondContact OE1-SG 2.99Å
472	E	90.1	Very high	95.7	Very high	63 Å²	63	46.1 Å²	46.1	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-59.5	-39.9	175.9	-71.1	-174.6	-162.1	0	0	111.7	H414 C470 E475 D476	H414-E472 WeakPolarHBondContact CB-OE2 3.48Å; H414-E472 IonicContact CD2-OE1 2.67Å; H414-E472 IonicContact CD2-OE2 2.64Å; H414-E472 PolarHBondContact N-OE2 3.34Å; C470-E472 PolarHBondContact O-N 2.74Å; E472-E475 PolarHBondContact O-N 2.94Å; E472-D476 WeakPolarHBondContact O-CB 3.3Å; E472-D476 PolarHBondContact O-N 3.26Å
473	A	93.1	Very high	95.7	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-36.5	177.8	0	0	0	0	0	112.1	T450 E468 C470 Q471 D476 A477	T450-A473 HydrophobicContact CG2-CB 4.43Å; E468-A473 HydrophobicContact CG-CB 3.77Å; C470-A473 HydrophobicContact CB-CB 3.82Å; C470-A473 WeakPolarHBondContact O-CB 3.45Å; C470-A473 PolarHBondContact O-N 3.24Å; Q471-A473 VanDerWaalsContact C-N 3.28Å; Q471-A473 PolarHBondContact O-N 3.27Å; A473-D476 PolarHBondContact O-N 3.38Å; A473-A477 WeakPolarHBondContact O-CB 3.39Å; A473-A477 PolarHBondContact O-N 3.41Å
474	V	95.7	Very high	95.8	Very high	1 Å²	1	41 Å²	41	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-66	-40.1	172.8	170.7	0	0	0	0	111.7	E468 C470 Q471 A477 K478 F491 C493	E468-V474 HydrophobicContact CB-CG2 3.68Å; E468-V474 HydrophobicContact CG-CG2 4.09Å; C470-V474 PolarHBondContact O-N 3.34Å; Q471-V474 PolarHBondContact O-N 3.5Å; Q471-V474 VanDerWaalsContact O-N 3.17Å; V474-A477 PolarHBondContact O-N 3.36Å; V474-K478 HydrophobicContact CG1-CD 4.34Å; V474-K478 WeakPolarHBondContact O-CG 3.18Å; V474-K478 PolarHBondContact O-N 3.15Å; V474-F491 HydrophobicContact CG1-CB 4.01Å; V474-C493 HydrophobicContact CB-CB 4.37Å; V474-C493 HydrophobicContact CG1-CB 4.34Å; V474-C493 HydrophobicContact CG2-CB 3.93Å
475	E	95.4	Very high	95.8	Very high	88 Å²	88	48.2 Å²	48.2	41%	0.411	24%	0.236	S	C	.	.	H	α-helix	trans	-65.4	-42.8	175.6	-72.7	172.3	-165.1	0	0	111.4	R410 Q471 E472 K478 M479	R410-E475 PolarHBondContact NH2-O 2.85Å; Q471-E475 WeakPolarHBondContact CG-OE1 3.32Å; Q471-E475 PolarHBondContact NE2-OE1 3.11Å; Q471-E475 WeakPolarHBondContact O-CG 3.47Å; Q471-E475 PolarHBondContact O-N 2.83Å; E472-E475 PolarHBondContact O-N 2.94Å; E475-K478 PolarHBondContact O-N 3.31Å; E475-M479 WeakPolarHBondContact O-CB 3.48Å; E475-M479 VanDerWaalsContact O-CG 3.29Å; E475-M479 WeakPolarHBondContact O-CG 3.41Å; E475-M479 PolarHBondContact O-N 3.18Å
476	D	96.5	Very high	95.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57.8	-47.8	170	-75.2	-15.6	0	0	0	111.1	R410 S412 S415 T450 E472 A473 K478 M479 N480	R410-D476 IonicContact CZ-OD1 3.76Å; R410-D476 IonicContact NE-OD1 2.72Å; R410-D476 PolarHBondContact NE-OD1 3.5Å; R410-D476 IonicContact NH2-OD1 3.9Å; R410-D476 PolarHBondContact NH2-OD1 3.44Å; S412-D476 WeakPolarHBondContact CB-OD2 3.3Å; S412-D476 PolarHBondContact N-OD2 3.27Å; S412-D476 VanDerWaalsContact OG-CG 3.23Å; S412-D476 PolarHBondContact OG-OD1 3.14Å; S412-D476 PolarHBondContact OG-OD2 2.81Å; S415-D476 VanDerWaalsContact CB-OD2 3.26Å; S415-D476 WeakPolarHBondContact CB-OD2 3.27Å; S415-D476 PolarHBondContact OG-OD2 3.03Å; T450-D476 HydrophobicContact CG2-CB 3.76Å; E472-D476 WeakPolarHBondContact O-CB 3.3Å; E472-D476 PolarHBondContact O-N 3.26Å; A473-D476 PolarHBondContact O-N 3.38Å; D476-K478 VanDerWaalsContact C-N 3.34Å; D476-K478 PolarHBondContact O-N 2.83Å; D476-M479 CarbonylContact O-C 3.53Å; D476-M479 PolarHBondContact O-N 3.08Å; D476-M479 VanDerWaalsContact O-N 3.13Å; D476-N480 VanDerWaalsContact O-CB 3.27Å; D476-N480 WeakPolarHBondContact O-CB 3.27Å; D476-N480 PolarHBondContact O-N 3.23Å; D476-N480 PolarHBondContact O-ND2 3.42Å; D476-N480 VanDerWaalsContact O-ND2 3.09Å; D476-N480 PolarHBondContact O-OD1 3.36Å
477	A	97.3	Very high	95.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-42.5	179.8	0	0	0	0	0	112.7	T450 A473 V474 N480 A481 F491	T450-A477 WeakPolarHBondContact O-CA 3.45Å; A473-A477 WeakPolarHBondContact O-CB 3.39Å; A473-A477 PolarHBondContact O-N 3.41Å; V474-A477 PolarHBondContact O-N 3.36Å; A477-N480 PolarHBondContact O-N 3.35Å; A477-A481 PolarHBondContact O-N 3.38Å; A477-F491 HydrophobicContact CB-CD1 3.74Å; A477-F491 HydrophobicContact CB-CD2 3.87Å; A477-F491 HydrophobicContact CB-CE1 3.65Å; A477-F491 HydrophobicContact CB-CE2 3.76Å; A477-F491 HydrophobicContact CB-CG 3.86Å; A477-F491 HydrophobicContact CB-CZ 3.66Å; A477-F491 WeakPolarHBondContact O-CE2 3.42Å
478	K	97.9	Very high	95.8	Very high	109 Å²	109	56.2 Å²	56.2	47%	0.474	29%	0.289	S	S	.	.	H	α-helix	trans	-64.3	-41.6	174.7	-72.2	173	-179.1	177.2	0	112.2	V474 E475 D476 A481 K482 F491	V474-K478 HydrophobicContact CG1-CD 4.34Å; V474-K478 WeakPolarHBondContact O-CG 3.18Å; V474-K478 PolarHBondContact O-N 3.15Å; E475-K478 PolarHBondContact O-N 3.31Å; D476-K478 VanDerWaalsContact C-N 3.34Å; D476-K478 PolarHBondContact O-N 2.83Å; K478-A481 WeakPolarHBondContact O-CB 3.25Å; K478-A481 PolarHBondContact O-N 2.94Å; K478-K482 PolarHBondContact O-N 2.87Å; K478-F491 HydrophobicContact CG-CB 4.3Å; K478-F491 HydrophobicContact CG-CD2 3.93Å
479	M	97.6	Very high	95.9	Very high	73 Å²	73	56 Å²	56	36%	0.36	29%	0.289	S	S	.	.	H	α-helix	trans	-69.9	-36.6	177.5	-70.8	-64.6	-61	0	0	111.6	E475 D476 K482 L483	E475-M479 WeakPolarHBondContact O-CB 3.48Å; E475-M479 VanDerWaalsContact O-CG 3.29Å; E475-M479 WeakPolarHBondContact O-CG 3.41Å; E475-M479 PolarHBondContact O-N 3.18Å; D476-M479 CarbonylContact O-C 3.53Å; D476-M479 PolarHBondContact O-N 3.08Å; D476-M479 VanDerWaalsContact O-N 3.13Å; M479-K482 WeakPolarHBondContact O-CB 2.99Å; M479-K482 PolarHBondContact O-N 3.41Å; M479-L483 WeakPolarHBondContact O-CB 3.47Å; M479-L483 VanDerWaalsContact O-CG 3.26Å; M479-L483 WeakPolarHBondContact O-CG 3.29Å; M479-L483 PolarHBondContact O-N 3.41Å
480	N	98.1	Very high	96.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.2	-40.5	174.9	-66.3	-20.9	0	0	0	111.4	F409 R410 T450 L455 D476 A477 K482 L483 N484	F409-N480 WeakPolarHBondContact CA-OD1 3.32Å; F409-N480 HydrophobicContact CD1-CB 4.09Å; R410-N480 WeakPolarHBondContact CA-OD1 3.47Å; R410-N480 VanDerWaalsContact CB-OD1 3.27Å; R410-N480 WeakPolarHBondContact CB-OD1 3.34Å; R410-N480 PolarHBondContact N-OD1 3.03Å; R410-N480 PolarHBondContact O-ND2 3.32Å; T450-N480 PolarHBondContact O-ND2 3.44Å; T450-N480 VanDerWaalsContact O-ND2 3.15Å; L455-N480 HydrophobicContact CD1-CB 3.4Å; L455-N480 VanDerWaalsContact CD1-CB 3.4Å; D476-N480 VanDerWaalsContact O-CB 3.27Å; D476-N480 WeakPolarHBondContact O-CB 3.27Å; D476-N480 PolarHBondContact O-N 3.23Å; D476-N480 PolarHBondContact O-ND2 3.42Å; D476-N480 VanDerWaalsContact O-ND2 3.09Å; D476-N480 PolarHBondContact O-OD1 3.36Å; A477-N480 PolarHBondContact O-N 3.35Å; N480-K482 VanDerWaalsContact C-N 3.32Å; N480-K482 PolarHBondContact O-N 3.22Å; N480-L483 PolarHBondContact O-N 2.86Å; N480-N484 PolarHBondContact O-N 3.39Å; N480-N484 PolarHBondContact O-ND2 3.32Å
481	A	98.2	Very high	96.5	Very high	7 Å²	7	53.9 Å²	53.9	6%	0.058	27%	0.274	C	S	.	.	H	α-helix	trans	-56.4	-48.2	171.3	0	0	0	0	0	111.5	L455 A477 K478 N484 D485 L486 V489 F491	L455-A481 HydrophobicContact CD2-CB 3.92Å; A477-A481 PolarHBondContact O-N 3.38Å; K478-A481 WeakPolarHBondContact O-CB 3.25Å; K478-A481 PolarHBondContact O-N 2.94Å; A481-N484 PolarHBondContact O-N 2.93Å; A481-D485 PolarHBondContact O-N 3.45Å; A481-L486 HydrophobicContact CB-CB 4.47Å; A481-L486 PolarHBondContact O-N 3.44Å; A481-V489 HydrophobicContact CB-CG2 3.32Å; A481-F491 HydrophobicContact CB-CE2 4.29Å
482	K	97.8	Very high	96.8	Very high	157 Å²	157	51.8 Å²	51.8	68%	0.683	26%	0.264	S	S	*	.	H	α-helix	trans	-64	-42.6	177.7	-173	-179.4	178.8	-177.5	0	112.6	K478 M479 N480 N484 D485	K478-K482 PolarHBondContact O-N 2.87Å; M479-K482 WeakPolarHBondContact O-CB 2.99Å; M479-K482 PolarHBondContact O-N 3.41Å; N480-K482 VanDerWaalsContact C-N 3.32Å; N480-K482 PolarHBondContact O-N 3.22Å; K482-N484 PolarHBondContact O-N 3.36Å; K482-D485 PolarHBondContact O-N 2.92Å
483	L	97.1	Very high	97.1	Very high	78 Å²	78	51.3 Å²	51.3	41%	0.408	27%	0.267	S	S	.	.	H	α-helix	trans	-62.9	-21.7	179.1	-76.5	171.5	0	0	0	113.3	R410 M479 N480	R410-L483 HydrophobicContact CB-CD1 4.18Å; M479-L483 WeakPolarHBondContact O-CB 3.47Å; M479-L483 VanDerWaalsContact O-CG 3.26Å; M479-L483 WeakPolarHBondContact O-CG 3.29Å; M479-L483 PolarHBondContact O-N 3.41Å; N480-L483 PolarHBondContact O-N 2.86Å
484	N	98.3	Very high	97.1	Very high	21 Å²	21	52.1 Å²	52.1	11%	0.112	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	13.3	-178.6	-65.7	-77	0	0	0	113.3	L407 K408 N480 A481 K482 L486	L407-N484 VanDerWaalsContact CA-OD1 3.26Å; L407-N484 WeakPolarHBondContact CA-OD1 3.5Å; L407-N484 WeakPolarHBondContact CB-OD1 3.32Å; L407-N484 HydrophobicContact CD2-CB 4.09Å; L407-N484 WeakPolarHBondContact CD2-OD1 3.49Å; K408-N484 PolarHBondContact N-OD1 3.22Å; K408-N484 PolarHBondContact O-ND2 2.93Å; N480-N484 PolarHBondContact O-N 3.39Å; N480-N484 PolarHBondContact O-ND2 3.32Å; A481-N484 PolarHBondContact O-N 2.93Å; K482-N484 PolarHBondContact O-N 3.36Å; N484-L486 VanDerWaalsContact C-N 3.28Å; N484-L486 HydrophobicContact CB-CD1 4Å; N484-L486 HydrophobicContact CB-CG 4.05Å; N484-L486 PolarHBondContact O-N 3.02Å
485	D	97.9	Very high	97	Very high	150 Å²	150	57.3 Å²	57.3	80%	0.802	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	38.2	179.8	-56.5	-53.9	0	0	0	113.9	A481 K482	A481-D485 PolarHBondContact O-N 3.45Å; K482-D485 PolarHBondContact O-N 2.92Å
486	L	98.1	Very high	97	Very high	17 Å²	17	53.8 Å²	53.8	9%	0.089	28%	0.284	C	S	.	.			trans	-100.2	109.2	-179.9	-60.3	173.2	0	0	0	110.4	L455 A458 K459 A481 N484 V489	L455-L486 HydrophobicContact CB-CD1 3.99Å; L455-L486 HydrophobicContact CD2-CD1 3.8Å; L455-L486 HydrophobicContact CG-CD1 4.43Å; A458-L486 HydrophobicContact CB-CD1 3.83Å; A458-L486 HydrophobicContact CB-CD2 3.88Å; A458-L486 HydrophobicContact CB-CG 4.3Å; K459-L486 HydrophobicContact CG-CD2 3.9Å; A481-L486 HydrophobicContact CB-CB 4.47Å; A481-L486 PolarHBondContact O-N 3.44Å; N484-L486 VanDerWaalsContact C-N 3.28Å; N484-L486 HydrophobicContact CB-CD1 4Å; N484-L486 HydrophobicContact CB-CG 4.05Å; N484-L486 PolarHBondContact O-N 3.02Å; L486-V489 HydrophobicContact CB-CG1 4.37Å; L486-V489 HydrophobicContact CB-CG2 4.42Å
487	S	97.2	Very high	96.8	Very high	121 Å²	121	55.8 Å²	55.8	85%	0.846	29%	0.293	S	S	*	.			trans	-99.5	-11.4	-179.5	59.5	0	0	0	0	114.1	V489	S487-V489 VanDerWaalsContact C-N 3.31Å; S487-V489 PolarHBondContact O-N 2.81Å
488	N	97.6	Very high	96.7	Very high	40 Å²	40	59.7 Å²	59.7	21%	0.214	31%	0.314	C	S	.	.	S	Bend	trans	-93.8	26.5	-175.9	68.6	-33.1	0	0	0	113.5	A458 V461 K462 K463 V464	A458-N488 PolarHBondContact O-ND2 2.86Å; V461-N488 PolarHBondContact O-ND2 3.45Å; K462-N488 WeakPolarHBondContact O-CB 3.29Å; K463-N488 CarbonylContact C-O 3.57Å; K463-N488 VanDerWaalsContact CA-O 3.31Å; K463-N488 WeakPolarHBondContact CA-O 3.35Å; V464-N488 PolarHBondContact N-O 2.84Å
489	V	97.8	Very high	96.4	Very high	24 Å²	24	55.9 Å²	55.9	15%	0.145	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.4	-174.7	-52.2	0	0	0	0	111.3	L455 A458 V464 A481 L486 S487 F491	L455-V489 HydrophobicContact CD2-CB 4.19Å; L455-V489 HydrophobicContact CD2-CG1 3.96Å; L455-V489 HydrophobicContact CD2-CG2 3.85Å; A458-V489 HydrophobicContact CB-CG1 3.68Å; V464-V489 HydrophobicContact CB-CB 4.24Å; V464-V489 HydrophobicContact CB-CG1 3.83Å; V464-V489 HydrophobicContact CG2-CG1 4.07Å; V464-V489 CarbonylContact O-C 3.55Å; V464-V489 WeakPolarHBondContact O-CA 3.19Å; A481-V489 HydrophobicContact CB-CG2 3.32Å; L486-V489 HydrophobicContact CB-CG1 4.37Å; L486-V489 HydrophobicContact CB-CG2 4.42Å; S487-V489 VanDerWaalsContact C-N 3.31Å; S487-V489 PolarHBondContact O-N 2.81Å; V489-F491 HydrophobicContact CB-CE2 4.32Å; V489-F491 HydrophobicContact CG2-CE2 3.92Å; V489-F491 HydrophobicContact CG2-CZ 4.48Å
490	E	96.9	Very high	96.2	Very high	77 Å²	77	52.4 Å²	52.4	36%	0.36	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.9	-180	-177.3	177.2	-178	0	0	109.5	K463 V464 I465 G466 H492	K463-E490 VanDerWaalsContact CE-OE2 3.29Å; K463-E490 WeakPolarHBondContact CE-OE2 3.29Å; K463-E490 IonicContact NZ-OE2 3.79Å; K463-E490 PolarHBondContact NZ-OE2 2.84Å; V464-E490 PolarHBondContact O-N 3.17Å; I465-E490 CarbonylContact C-O 3.55Å; I465-E490 WeakPolarHBondContact CA-O 3.39Å; I465-E490 HydrophobicContact CG1-CB 4.5Å; G466-E490 PolarHBondContact N-O 3.21Å; E490-H492 IonicContact OE1-CE1 2.68Å; E490-H492 PolarHBondContact OE1-CE1 2.83Å; E490-H492 IonicContact OE1-NE2 3.11Å; E490-H492 PolarHBondContact OE1-NE2 3.44Å
491	F	97.8	Very high	95.8	Very high	13 Å²	13	53.4 Å²	53.4	6%	0.057	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.4	-179	-64.1	-75.4	0	0	0	111.7	L455 G466 V474 A477 K478 A481 V489	L455-F491 HydrophobicContact CD1-CZ 4.48Å; L455-F491 HydrophobicContact CD2-CE2 4.17Å; L455-F491 HydrophobicContact CD2-CZ 3.78Å; L455-F491 HydrophobicContact CG-CZ 4.09Å; G466-F491 WeakPolarHBondContact O-CA 3.04Å; V474-F491 HydrophobicContact CG1-CB 4.01Å; A477-F491 HydrophobicContact CB-CD1 3.74Å; A477-F491 HydrophobicContact CB-CD2 3.87Å; A477-F491 HydrophobicContact CB-CE1 3.65Å; A477-F491 HydrophobicContact CB-CE2 3.76Å; A477-F491 HydrophobicContact CB-CG 3.86Å; A477-F491 HydrophobicContact CB-CZ 3.66Å; A477-F491 WeakPolarHBondContact O-CE2 3.42Å; K478-F491 HydrophobicContact CG-CB 4.3Å; K478-F491 HydrophobicContact CG-CD2 3.93Å; A481-F491 HydrophobicContact CB-CE2 4.29Å; V489-F491 HydrophobicContact CB-CE2 4.32Å; V489-F491 HydrophobicContact CG2-CE2 3.92Å; V489-F491 HydrophobicContact CG2-CZ 4.48Å
492	H	96.7	Very high	95.4	Very high	48 Å²	48	58.3 Å²	58.3	22%	0.222	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.5	178.3	-56.4	-91.5	0	0	0	111.1	G466 I467 E468 E490 V499 I503	G466-H492 PolarHBondContact O-N 2.9Å; I467-H492 WeakPolarHBondContact CA-O 3.44Å; E468-H492 PolarHBondContact N-O 3.47Å; E468-H492 VanDerWaalsContact N-O 3.1Å; E490-H492 IonicContact OE1-CE1 2.68Å; E490-H492 PolarHBondContact OE1-CE1 2.83Å; E490-H492 IonicContact OE1-NE2 3.11Å; E490-H492 PolarHBondContact OE1-NE2 3.44Å; H492-V499 HydrophobicContact CB-CG1 3.81Å; H492-I503 HydrophobicContact CB-CD1 4.19Å; H492-I503 WeakPolarHBondContact CD2-CD1 3.47Å
493	C	95.8	Very high	95.1	Very high	52 Å²	52	51.9 Å²	51.9	35%	0.351	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129	173.7	-173.3	0	0	0	0	110.8	E468 Q471 V474	E468-C493 CarbonylContact O-C 3.6Å; E468-C493 VanDerWaalsContact O-CA 3.29Å; E468-C493 WeakPolarHBondContact O-CA 3.26Å; Q471-C493 VanDerWaalsContact OE1-CB 3.22Å; Q471-C493 PolarHBondContact OE1-SG 2.99Å; V474-C493 HydrophobicContact CB-CB 4.37Å; V474-C493 HydrophobicContact CG1-CB 4.34Å; V474-C493 HydrophobicContact CG2-CB 3.93Å
494	G	94.3	Very high	94.7	Very high	18 Å²	18	48.3 Å²	48.3	19%	0.186	27%	0.269	C	S	.	.	S	Bend	trans	151.4	174.2	171.2	0	0	0	0	0	113.1	E468 A496	E468-G494 CarbonylContact C-O 3.54Å; E468-G494 PolarHBondContact O-N 3.25Å; G494-A496 PolarHBondContact O-N 3.27Å
495	K	93.8	Very high	94.1	Very high	111 Å²	111	53.8 Å²	53.8	48%	0.483	30%	0.298	S	S	.	.			trans	-60.9	130.2	175.3	-68.5	179	-178.6	177.9	0	110.2	L469 E497 D498 V499	L469-K495 HydrophobicContact CD1-CB 4.47Å; L469-K495 HydrophobicContact CD1-CG 3.64Å; K495-E497 HydrophobicContact CB-CG 4.21Å; K495-E497 PolarHBondContact O-N 3.41Å; K495-E497 VanDerWaalsContact O-N 3.15Å; K495-D498 HydrophobicContact CB-CB 4.34Å; K495-D498 PolarHBondContact O-N 2.99Å; K495-V499 PolarHBondContact O-N 3.08Å
496	A	93.6	Very high	93.6	Very high	13 Å²	13	50.4 Å²	50.4	11%	0.107	29%	0.291	C	S	.	.	H	α-helix	trans	-54	-39.3	-179.7	0	0	0	0	0	111.6	V446 G494 D498 F500 V527	V446-A496 HydrophobicContact CG1-CB 3.86Å; G494-A496 PolarHBondContact O-N 3.27Å; A496-D498 PolarHBondContact O-N 2.89Å; A496-F500 WeakPolarHBondContact O-CB 3.31Å; A496-F500 PolarHBondContact O-N 3.39Å; A496-V527 HydrophobicContact CB-CG2 3.76Å
497	E	93.8	Very high	93	Very high	43 Å²	43	50.9 Å²	50.9	20%	0.201	29%	0.293	C	S	.	.	H	α-helix	trans	-65.8	-20.3	178.9	62.3	-93.2	-147.2	0	0	115.9	K495 H524 K526 V527	K495-E497 HydrophobicContact CB-CG 4.21Å; K495-E497 PolarHBondContact O-N 3.41Å; K495-E497 VanDerWaalsContact O-N 3.15Å; E497-H524 HydrophobicContact CB-CB 4.14Å; E497-H524 WeakPolarHBondContact CB-ND1 3.49Å; E497-K526 HydrophobicContact CB-CB 3.77Å; E497-K526 HydrophobicContact CB-CD 3.9Å; E497-K526 HydrophobicContact CB-CG 4.45Å; E497-K526 HydrophobicContact CG-CD 4.37Å; E497-V527 HydrophobicContact CB-CG2 4.2Å
498	D	93.8	Very high	92	Very high	81 Å²	81	52.2 Å²	52.2	43%	0.433	30%	0.296	S	S	.	.	H	α-helix	trans	-100.3	-35.7	-177.1	-63.1	-30	0	0	0	110.7	K495 A496 N502 K526	K495-D498 HydrophobicContact CB-CB 4.34Å; K495-D498 PolarHBondContact O-N 2.99Å; A496-D498 PolarHBondContact O-N 2.89Å; D498-N502 PolarHBondContact O-ND2 2.8Å; D498-K526 IonicContact OD1-NZ 3.98Å
499	V	93.1	Very high	91	Very high	30 Å²	30	51 Å²	51	18%	0.182	29%	0.291	C	S	.	.	H	α-helix	trans	-90	-46.4	-176.3	-173.4	0	0	0	0	112.3	I467 H492 K495 N502 I503	I467-V499 HydrophobicContact CG2-CB 4.22Å; I467-V499 HydrophobicContact CG2-CG1 4.42Å; H492-V499 HydrophobicContact CB-CG1 3.81Å; K495-V499 PolarHBondContact O-N 3.08Å; V499-N502 PolarHBondContact O-N 3.4Å; V499-I503 HydrophobicContact CG1-CD1 3.54Å; V499-I503 HydrophobicContact CG1-CG1 4.21Å; V499-I503 PolarHBondContact O-N 2.89Å
500	F	92.3	Very high	89.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-41.6	-170.6	-176.6	-108.5	0	0	0	114.6	L444 V446 I467 A496 N502 I503 L504 V527 A530 I531	L444-F500 HydrophobicContact CB-CE2 4.22Å; L444-F500 HydrophobicContact CD1-CE2 3.78Å; L444-F500 HydrophobicContact CD1-CZ 4.21Å; V446-F500 HydrophobicContact CG2-CD2 3.67Å; V446-F500 HydrophobicContact CG2-CE2 3.38Å; V446-F500 HydrophobicContact CG2-CZ 4.11Å; I467-F500 HydrophobicContact CD1-CB 3.75Å; I467-F500 HydrophobicContact CD1-CD2 3.49Å; I467-F500 VanDerWaalsContact CD1-CD2 3.49Å; I467-F500 HydrophobicContact CD1-CG 4.1Å; A496-F500 WeakPolarHBondContact O-CB 3.31Å; A496-F500 PolarHBondContact O-N 3.39Å; F500-N502 VanDerWaalsContact C-N 3.28Å; F500-N502 PolarHBondContact O-N 2.94Å; F500-I503 PolarHBondContact O-N 2.99Å; F500-L504 HydrophobicContact CD1-CD1 3.7Å; F500-L504 HydrophobicContact CE1-CD1 3.13Å; F500-L504 HydrophobicContact CE1-CG 4.14Å; F500-L504 HydrophobicContact CE2-CD1 4.11Å; F500-L504 HydrophobicContact CE2-CG 4.29Å; F500-L504 HydrophobicContact CG-CD1 4.39Å; F500-L504 HydrophobicContact CZ-CD1 3.4Å; F500-L504 VanDerWaalsContact CZ-CD1 3.4Å; F500-L504 HydrophobicContact CZ-CG 4.02Å; F500-L504 PolarHBondContact O-N 3.01Å; F500-V527 HydrophobicContact CD1-CG1 3.69Å; F500-V527 HydrophobicContact CE1-CG1 3.9Å; F500-V527 HydrophobicContact CG-CG1 4.31Å; F500-A530 HydrophobicContact CD1-CB 3.94Å; F500-A530 HydrophobicContact CE1-CB 4.15Å; F500-I531 HydrophobicContact CE1-CD1 4.38Å; F500-I531 HydrophobicContact CE1-CG1 3.54Å; F500-I531 HydrophobicContact CZ-CD1 4.46Å; F500-I531 HydrophobicContact CZ-CG1 3.8Å
501	P	89.6	Confident	89.4	Confident	21 Å²	21	54.5 Å²	54.5	14%	0.136	32%	0.318	C	S	.	.	H	α-helix	trans	-61.2	-36.2	178.4	-23.1	34.5	0	0	0	113.3	N505 A530	P501-N505 WeakPolarHBondContact O-CB 3.27Å; P501-N505 PolarHBondContact O-N 2.9Å; P501-N505 VanDerWaalsContact O-N 3.14Å; P501-N505 PolarHBondContact O-ND2 3.28Å; P501-A530 HydrophobicContact CB-CB 4.24Å; P501-A530 HydrophobicContact CG-CB 4.05Å
502	N	90.9	Very high	89.2	Confident	110 Å²	110	54 Å²	54	59%	0.588	32%	0.316	S	S	*	.	H	α-helix	trans	-72	-42.6	-179.1	-64	-29.6	0	0	0	111	D498 V499 F500 N505 A506	D498-N502 PolarHBondContact O-ND2 2.8Å; V499-N502 PolarHBondContact O-N 3.4Å; F500-N502 VanDerWaalsContact C-N 3.28Å; F500-N502 PolarHBondContact O-N 2.94Å; N502-N505 PolarHBondContact O-N 2.78Å; N502-A506 WeakPolarHBondContact O-CB 3.36Å; N502-A506 PolarHBondContact O-N 2.9Å
503	I	91.2	Very high	89.1	Confident	21 Å²	21	51.9 Å²	51.9	11%	0.108	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-48.9	175.2	-71.5	172.6	0	0	0	110.8	L444 I465 I467 H492 V499 F500 N505 A506 L507	L444-I503 HydrophobicContact CD2-CG2 4.12Å; I465-I503 HydrophobicContact CD1-CG2 4.43Å; I465-I503 HydrophobicContact CG2-CD1 4.13Å; I465-I503 HydrophobicContact CG2-CG2 3.97Å; I467-I503 HydrophobicContact CD1-CD1 3.65Å; I467-I503 HydrophobicContact CG1-CD1 3.76Å; H492-I503 HydrophobicContact CB-CD1 4.19Å; H492-I503 WeakPolarHBondContact CD2-CD1 3.47Å; V499-I503 HydrophobicContact CG1-CD1 3.54Å; V499-I503 HydrophobicContact CG1-CG1 4.21Å; V499-I503 PolarHBondContact O-N 2.89Å; F500-I503 PolarHBondContact O-N 2.99Å; I503-N505 VanDerWaalsContact C-N 3.32Å; I503-N505 PolarHBondContact O-N 3.29Å; I503-A506 PolarHBondContact O-N 2.87Å; I503-L507 HydrophobicContact CG2-CD1 3.86Å; I503-L507 WeakPolarHBondContact O-CB 3.38Å; I503-L507 PolarHBondContact O-N 2.84Å; I503-L507 VanDerWaalsContact O-N 3.15Å
504	L	88.1	Confident	89.1	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-40.1	178.7	-95.1	171.9	0	0	0	112.9	L444 F500 A506 L507 A530 A534	L444-L504 HydrophobicContact CD1-CD2 3.59Å; L444-L504 HydrophobicContact CD1-CG 3.98Å; F500-L504 HydrophobicContact CD1-CD1 3.7Å; F500-L504 HydrophobicContact CE1-CD1 3.13Å; F500-L504 HydrophobicContact CE1-CG 4.14Å; F500-L504 HydrophobicContact CE2-CD1 4.11Å; F500-L504 HydrophobicContact CE2-CG 4.29Å; F500-L504 HydrophobicContact CG-CD1 4.39Å; F500-L504 HydrophobicContact CZ-CD1 3.4Å; F500-L504 VanDerWaalsContact CZ-CD1 3.4Å; F500-L504 HydrophobicContact CZ-CG 4.02Å; F500-L504 PolarHBondContact O-N 3.01Å; L504-A506 VanDerWaalsContact C-N 3.35Å; L504-L507 PolarHBondContact O-N 2.89Å; L504-A530 HydrophobicContact CD1-CB 4.15Å; L504-A534 HydrophobicContact CD1-CB 4.06Å; L504-A534 HydrophobicContact CD2-CB 3.69Å; L504-A534 HydrophobicContact CG-CB 4.42Å
505	N	85.4	Confident	89.3	Confident	135 Å²	135	48.6 Å²	48.6	72%	0.722	28%	0.281	S	S	*	.	H	α-helix	trans	-70.6	-31.8	179.5	-71.5	-17.7	0	0	0	112.6	P501 N502 I503 L507	P501-N505 WeakPolarHBondContact O-CB 3.27Å; P501-N505 PolarHBondContact O-N 2.9Å; P501-N505 VanDerWaalsContact O-N 3.14Å; P501-N505 PolarHBondContact O-ND2 3.28Å; N502-N505 PolarHBondContact O-N 2.78Å; I503-N505 VanDerWaalsContact C-N 3.32Å; I503-N505 PolarHBondContact O-N 3.29Å; N505-L507 VanDerWaalsContact C-N 3.29Å
506	A	87.1	Confident	89.4	Confident	79 Å²	79	43.3 Å²	43.3	65%	0.653	26%	0.258	S	S	*	.	H	α-helix	trans	-79.9	-12.4	177.6	0	0	0	0	0	113.1	N502 I503 L504 V508	N502-A506 WeakPolarHBondContact O-CB 3.36Å; N502-A506 PolarHBondContact O-N 2.9Å; I503-A506 PolarHBondContact O-N 2.87Å; L504-A506 VanDerWaalsContact C-N 3.35Å; A506-V508 PolarHBondContact O-N 2.8Å
507	L	86.6	Confident	89.5	Confident	28 Å²	28	43.8 Å²	43.8	15%	0.147	26%	0.258	C	S	.	.			trans	-79.9	113.8	-173.4	-118.9	146.5	0	0	0	111.7	T442 L444 I465 I503 L504 N505 V512	T442-L507 HydrophobicContact CG2-CD2 3.97Å; L444-L507 HydrophobicContact CD1-CD1 4.37Å; L444-L507 HydrophobicContact CD2-CD1 3.62Å; L444-L507 HydrophobicContact CG-CD1 4.42Å; I465-L507 HydrophobicContact CD1-CD1 3.79Å; I465-L507 HydrophobicContact CD1-CG 4.37Å; I503-L507 HydrophobicContact CG2-CD1 3.86Å; I503-L507 WeakPolarHBondContact O-CB 3.38Å; I503-L507 PolarHBondContact O-N 2.84Å; I503-L507 VanDerWaalsContact O-N 3.15Å; L504-L507 PolarHBondContact O-N 2.89Å; N505-L507 VanDerWaalsContact C-N 3.29Å; L507-V512 HydrophobicContact CD2-CG2 3.99Å
508	V	75.2	Confident	89.5	Confident	149 Å²	149	42 Å²	42	90%	0.903	25%	0.251	S	S	*	.			trans	-102.8	45.6	177	-163	0	0	0	0	110.3	A506	A506-V508 PolarHBondContact O-N 2.8Å
509	S	77.7	Confident	89.3	Confident	15 Å²	15	42.2 Å²	42.2	11%	0.105	26%	0.256	C	S	.	.			trans	-109.9	130.9	176.7	-175.5	0	0	0	0	110.5	T442 N511 V512	T442-S509 PolarHBondContact OG1-OG 2.98Å; S509-N511 VanDerWaalsContact C-N 3.33Å; S509-V512 WeakPolarHBondContact O-CG2 3.37Å
510	P	73.9	Confident	89	Confident	121 Å²	121	47 Å²	47	79%	0.786	27%	0.271	S	S	*	.	S	Bend	trans	-75.3	-23.3	177.4	31	-34.4	0	0	0	112.7
511	N	87.6	Confident	88.8	Confident	52 Å²	52	51 Å²	51	28%	0.278	31%	0.305	S	S	.	.	S	Bend	trans	-116.6	85.2	-176.1	-168.4	7.2	0	0	0	110.4	D438 S441 T442 S509	D438-N511 PolarHBondContact OD1-ND2 2.81Å; D438-N511 PolarHBondContact OD2-ND2 3.22Å; S441-N511 WeakPolarHBondContact CA-O 3.37Å; S441-N511 PolarHBondContact OG-ND2 3.36Å; T442-N511 PolarHBondContact N-O 2.84Å; S509-N511 VanDerWaalsContact C-N 3.33Å
512	V	92.3	Very high	89	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128.9	179.1	-174.7	0	0	0	0	109.7	T442 L444 L507 S509 L537	T442-V512 WeakPolarHBondContact O-CA 3.46Å; L444-V512 HydrophobicContact CD1-CG1 3.67Å; L444-V512 HydrophobicContact CG-CG1 3.79Å; L507-V512 HydrophobicContact CD2-CG2 3.99Å; S509-V512 WeakPolarHBondContact O-CG2 3.37Å; V512-L537 HydrophobicContact CB-CD1 4.46Å; V512-L537 HydrophobicContact CG1-CD1 4.12Å; V512-L537 VanDerWaalsContact O-CD1 3.31Å; V512-L537 WeakPolarHBondContact O-CD1 3.47Å
513	T	94.5	Very high	89.1	Confident	4 Å²	4	45.8 Å²	45.8	3%	0.025	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.2	170.2	-65.6	0	0	0	0	109.4	A435 L437 T442 V443 L444 R539	A435-T513 HydrophobicContact CB-CG2 4.02Å; L437-T513 HydrophobicContact CD2-CG2 4.37Å; T442-T513 PolarHBondContact O-N 2.8Å; V443-T513 WeakPolarHBondContact CA-O 3.41Å; L444-T513 PolarHBondContact N-O 2.8Å; T513-R539 HydrophobicContact CG2-CB 4.31Å; T513-R539 HydrophobicContact CG2-CG 4.18Å
514	A	96.3	Very high	89.3	Confident	0 Å²	0	49 Å²	49	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	136.4	174.9	0	0	0	0	0	109.8	L444 L537 R539 L540 V541	L444-A514 HydrophobicContact CB-CB 4.3Å; L444-A514 CarbonylContact O-C 3.48Å; L444-A514 WeakPolarHBondContact O-CA 3.44Å; A514-L537 HydrophobicContact CB-CD1 3.75Å; A514-L537 HydrophobicContact CB-CD2 3.88Å; A514-L537 HydrophobicContact CB-CG 4.43Å; A514-R539 PolarHBondContact N-O 2.9Å; A514-L540 HydrophobicContact CB-CD1 3.74Å; A514-L540 CarbonylContact O-C 3.58Å; A514-L540 WeakPolarHBondContact O-CA 3.46Å; A514-V541 PolarHBondContact O-N 2.64Å
515	I	97.9	Very high	89.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.3	172.1	-53.5	173.1	0	0	0	106.3	V431 V443 L444 V446 I453 L457 V541	V431-I515 HydrophobicContact CG1-CD1 3.78Å; V431-I515 HydrophobicContact CG1-CG1 4.37Å; V431-I515 HydrophobicContact CG1-CG2 3.81Å; V443-I515 HydrophobicContact CG1-CD1 3.68Å; V443-I515 HydrophobicContact CG1-CG1 4.18Å; L444-I515 PolarHBondContact O-N 3.07Å; L444-I515 VanDerWaalsContact O-O 3.09Å; V446-I515 PolarHBondContact N-O 3.31Å; I453-I515 HydrophobicContact CD1-CG2 4.49Å; I453-I515 HydrophobicContact CG2-CD1 4.15Å; I453-I515 HydrophobicContact CG2-CG2 3.98Å; L457-I515 HydrophobicContact CD1-CD1 3.27Å; I515-V541 WeakPolarHBondContact CA-O 3.49Å; I515-V541 HydrophobicContact CG1-CB 4.22Å; I515-V541 HydrophobicContact CG2-CB 4.3Å; I515-V541 HydrophobicContact CG2-CG1 4.47Å
516	V	97.1	Very high	90	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.5	-177.3	-53.8	0	0	0	0	110.1	V446 P518 L523 L540 V541 Y542 V543	V446-V516 HydrophobicContact CB-CB 4.4Å; V446-V516 HydrophobicContact CB-CG1 3.81Å; V446-V516 HydrophobicContact CG2-CG1 3.94Å; V516-P518 VanDerWaalsContact C-CD 3.43Å; V516-P518 WeakPolarHBondContact O-CD 3.41Å; V516-L523 HydrophobicContact CB-CD1 3.9Å; V516-L523 HydrophobicContact CG1-CD1 3.98Å; V516-L523 HydrophobicContact CG2-CD1 3.83Å; V516-L540 HydrophobicContact CG1-CD1 3.86Å; V516-L540 HydrophobicContact CG2-CD1 4.02Å; V516-V541 PolarHBondContact N-O 2.67Å; V516-Y542 HydrophobicContact CG2-CD1 4.14Å; V516-Y542 HydrophobicContact CG2-CD2 3.28Å; V516-Y542 HydrophobicContact CG2-CE2 3.77Å; V516-Y542 HydrophobicContact CG2-CG 3.5Å; V516-V543 PolarHBondContact O-N 3.03Å
517	D	95.8	Very high	90.4	Very high	23 Å²	23	47 Å²	47	12%	0.123	27%	0.268	C	S	.	.			trans	-124.4	69.1	174.9	-171.2	12.4	0	0	0	109.7	V446 C447 I453 V543	V446-D517 PolarHBondContact O-N 3.45Å; C447-D517 VanDerWaalsContact CB-O 3.32Å; C447-D517 WeakPolarHBondContact CB-O 3.28Å; I453-D517 HydrophobicContact CD1-CB 3.94Å; D517-V543 HydrophobicContact CB-CB 4.06Å; D517-V543 HydrophobicContact CB-CG2 4.46Å; D517-V543 WeakPolarHBondContact OD1-CG1 3.32Å
518	P	93.6	Very high	90.9	Very high	6 Å²	6	45.7 Å²	45.7	4%	0.039	26%	0.261	C	S	.	.			trans	-72.8	163.3	-173.8	30.4	-36.4	0	0	0	113.1	V516 L523 Y542 V543	V516-P518 VanDerWaalsContact C-CD 3.43Å; V516-P518 WeakPolarHBondContact O-CD 3.41Å; P518-L523 HydrophobicContact CB-CD2 3.8Å; P518-L523 HydrophobicContact CB-CG 3.89Å; P518-L523 HydrophobicContact CG-CD2 4.4Å; P518-L523 HydrophobicContact CG-CG 4.05Å; P518-Y542 HydrophobicContact CG-CE1 3.63Å; P518-Y542 WeakPolarHBondContact CG-OH 3.49Å; P518-V543 WeakPolarHBondContact CD-O 3.43Å
519	P	89.3	Confident	91.8	Very high	85 Å²	85	40.5 Å²	40.5	55%	0.552	23%	0.228	S	C	*	.			trans	-60.7	170.3	170	28.7	-36.9	0	0	0	111.7	A521 G522	P519-A521 PolarHBondContact O-N 3.46Å; P519-G522 PolarHBondContact O-N 2.94Å
520	R	86.3	Confident	92.6	Very high	132 Å²	132	40 Å²	40	50%	0.498	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-21.8	-178.9	-78.5	-177.9	171.4	-157.5	-5.4	115.8	G522 C545 N546 A549 H586	R520-G522 VanDerWaalsContact C-N 3.3Å; R520-C545 WeakPolarHBondContact CG-SG 3.33Å; R520-N546 HydrophobicContact CB-CB 4.44Å; R520-N546 HydrophobicContact CG-CB 4.33Å; R520-A549 WeakPolarHBondContact O-CB 3.35Å; R520-H586 PolarHBondContact NH2-CE1 3.49Å; R520-H586 PolarHBondContact NH2-NE2 3.25Å
521	A	88.9	Confident	93.6	Very high	84 Å²	84	34.2 Å²	34.2	69%	0.694	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-11.1	176.9	0	0	0	0	0	113.9	P519	P519-A521 PolarHBondContact O-N 3.46Å
522	G	92.8	Very high	93.9	Very high	10 Å²	10	31.7 Å²	31.7	10%	0.103	17%	0.174	C	C	.	.			trans	79.8	-174.5	-169	0	0	0	0	0	112.8	P519 R520 N553	P519-G522 PolarHBondContact O-N 2.94Å; R520-G522 VanDerWaalsContact C-N 3.3Å; G522-N553 WeakPolarHBondContact CA-OD1 3.29Å
523	L	94.4	Very high	93.9	Very high	11 Å²	11	37.2 Å²	37.2	6%	0.058	19%	0.194	C	C	.	.			trans	-76.9	146	175.5	-69.8	172.6	0	0	0	111.9	V446 V516 P518 V527 I528 Y542 N553	V446-L523 HydrophobicContact CG1-CD2 4.21Å; V516-L523 HydrophobicContact CB-CD1 3.9Å; V516-L523 HydrophobicContact CG1-CD1 3.98Å; V516-L523 HydrophobicContact CG2-CD1 3.83Å; P518-L523 HydrophobicContact CB-CD2 3.8Å; P518-L523 HydrophobicContact CB-CG 3.89Å; P518-L523 HydrophobicContact CG-CD2 4.4Å; P518-L523 HydrophobicContact CG-CG 4.05Å; L523-V527 HydrophobicContact CB-CB 4.48Å; L523-V527 HydrophobicContact CD1-CG1 4.14Å; L523-V527 HydrophobicContact CD2-CG1 4.26Å; L523-I528 HydrophobicContact CB-CD1 3.99Å; L523-I528 HydrophobicContact CB-CG1 4.29Å; L523-I528 HydrophobicContact CD1-CD1 3.75Å; L523-Y542 HydrophobicContact CD1-CE2 3.94Å; L523-Y542 HydrophobicContact CG-CE2 4.41Å; L523-N553 PolarHBondContact N-OD1 3.25Å; L523-N553 PolarHBondContact O-ND2 3.36Å; L523-N553 PolarHBondContact O-OD1 3.19Å
524	H	95.1	Very high	93.8	Very high	89 Å²	89	37.5 Å²	37.5	41%	0.412	20%	0.197	S	C	.	.			trans	-62.9	140.4	170.2	-170.9	-89.7	0	0	0	111.1	E497 K526 V527 I528	E497-H524 HydrophobicContact CB-CB 4.14Å; E497-H524 WeakPolarHBondContact CB-ND1 3.49Å; H524-K526 PolarHBondContact ND1-N 3.34Å; H524-K526 PolarHBondContact O-N 3.05Å; H524-K526 VanDerWaalsContact O-N 3.09Å; H524-V527 HydrophobicContact CB-CG2 4.44Å; H524-V527 WeakPolarHBondContact O-CB 3.42Å; H524-V527 PolarHBondContact O-N 2.97Å; H524-I528 PolarHBondContact O-N 3.15Å
525	T	93.3	Very high	93.4	Very high	69 Å²	69	43.8 Å²	43.8	42%	0.423	23%	0.226	S	C	.	.	H	α-helix	trans	-55.2	-35.4	-174.7	-55.3	0	0	0	0	113.3	V527 I528 L529	T525-V527 VanDerWaalsContact C-N 3.26Å; T525-V527 PolarHBondContact O-N 3.25Å; T525-I528 PolarHBondContact O-N 3.12Å; T525-L529 HydrophobicContact CG2-CD1 4.14Å; T525-L529 HydrophobicContact CG2-CG 4.19Å; T525-L529 WeakPolarHBondContact O-CG 3.39Å; T525-L529 PolarHBondContact O-N 2.91Å
526	K	94.4	Very high	92.9	Very high	107 Å²	107	46.6 Å²	46.6	47%	0.465	24%	0.239	S	C	.	.	H	α-helix	trans	-58.4	-35.7	176	-74.7	177.2	173	-177.1	0	112.9	E497 D498 H524 L529 A530	E497-K526 HydrophobicContact CB-CB 3.77Å; E497-K526 HydrophobicContact CB-CD 3.9Å; E497-K526 HydrophobicContact CB-CG 4.45Å; E497-K526 HydrophobicContact CG-CD 4.37Å; D498-K526 IonicContact OD1-NZ 3.98Å; H524-K526 PolarHBondContact ND1-N 3.34Å; H524-K526 PolarHBondContact O-N 3.05Å; H524-K526 VanDerWaalsContact O-N 3.09Å; K526-L529 PolarHBondContact O-N 3.29Å; K526-A530 WeakPolarHBondContact O-CB 3.48Å; K526-A530 PolarHBondContact O-N 3.11Å
527	V	95.9	Very high	92.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.9	-48	176.7	-178.1	0	0	0	0	109.7	A496 E497 F500 L523 H524 T525 L529 A530 I531	A496-V527 HydrophobicContact CB-CG2 3.76Å; E497-V527 HydrophobicContact CB-CG2 4.2Å; F500-V527 HydrophobicContact CD1-CG1 3.69Å; F500-V527 HydrophobicContact CE1-CG1 3.9Å; F500-V527 HydrophobicContact CG-CG1 4.31Å; L523-V527 HydrophobicContact CB-CB 4.48Å; L523-V527 HydrophobicContact CD1-CG1 4.14Å; L523-V527 HydrophobicContact CD2-CG1 4.26Å; H524-V527 HydrophobicContact CB-CG2 4.44Å; H524-V527 WeakPolarHBondContact O-CB 3.42Å; H524-V527 PolarHBondContact O-N 2.97Å; T525-V527 VanDerWaalsContact C-N 3.26Å; T525-V527 PolarHBondContact O-N 3.25Å; V527-L529 VanDerWaalsContact C-N 3.3Å; V527-L529 PolarHBondContact O-N 3.34Å; V527-A530 WeakPolarHBondContact O-CB 3.35Å; V527-A530 PolarHBondContact O-N 3.05Å; V527-I531 HydrophobicContact CG1-CD1 4.34Å; V527-I531 WeakPolarHBondContact O-CG1 3.32Å; V527-I531 PolarHBondContact O-N 2.95Å
528	I	96	Very high	92.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58	-43.5	176.4	-57.5	-60.3	0	0	0	111.5	L523 H524 T525 A530 I531 R532 N553 D556 L557	L523-I528 HydrophobicContact CB-CD1 3.99Å; L523-I528 HydrophobicContact CB-CG1 4.29Å; L523-I528 HydrophobicContact CD1-CD1 3.75Å; H524-I528 PolarHBondContact O-N 3.15Å; T525-I528 PolarHBondContact O-N 3.12Å; I528-A530 VanDerWaalsContact C-N 3.32Å; I528-A530 PolarHBondContact O-N 3.2Å; I528-I531 WeakPolarHBondContact O-CB 3.34Å; I528-I531 PolarHBondContact O-N 3.5Å; I528-R532 WeakPolarHBondContact O-CB 3.44Å; I528-R532 VanDerWaalsContact O-CG 3.31Å; I528-R532 WeakPolarHBondContact O-CG 3.41Å; I528-R532 PolarHBondContact O-N 3.43Å; I528-N553 HydrophobicContact CD1-CB 3.93Å; I528-N553 HydrophobicContact CG1-CB 4.27Å; I528-D556 HydrophobicContact CG2-CB 3.71Å; I528-L557 HydrophobicContact CD1-CD1 4.36Å; I528-L557 HydrophobicContact CD1-CD2 4.29Å; I528-L557 HydrophobicContact CD1-CG 4.2Å; I528-L557 HydrophobicContact CG2-CD2 3.95Å; I528-L557 HydrophobicContact CG2-CG 3.99Å
529	L	94.8	Very high	92.4	Very high	39 Å²	39	52.7 Å²	52.7	20%	0.204	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-33.8	176.7	-65.1	178.4	0	0	0	112.5	T525 K526 V527 R532 R533 V565	T525-L529 HydrophobicContact CG2-CD1 4.14Å; T525-L529 HydrophobicContact CG2-CG 4.19Å; T525-L529 WeakPolarHBondContact O-CG 3.39Å; T525-L529 PolarHBondContact O-N 2.91Å; K526-L529 PolarHBondContact O-N 3.29Å; V527-L529 VanDerWaalsContact C-N 3.3Å; V527-L529 PolarHBondContact O-N 3.34Å; L529-R532 PolarHBondContact O-N 3.06Å; L529-R533 WeakPolarHBondContact O-CG 3.27Å; L529-R533 PolarHBondContact O-N 3.4Å; L529-V565 HydrophobicContact CD2-CB 4.3Å; L529-V565 HydrophobicContact CD2-CG1 4.16Å; L529-V565 HydrophobicContact CD2-CG2 3.88Å
530	A	94.7	Very high	92.8	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-67.5	-46	173.8	0	0	0	0	0	111.6	F500 P501 L504 K526 V527 I528 R532 R533 A534	F500-A530 HydrophobicContact CD1-CB 3.94Å; F500-A530 HydrophobicContact CE1-CB 4.15Å; P501-A530 HydrophobicContact CB-CB 4.24Å; P501-A530 HydrophobicContact CG-CB 4.05Å; L504-A530 HydrophobicContact CD1-CB 4.15Å; K526-A530 WeakPolarHBondContact O-CB 3.48Å; K526-A530 PolarHBondContact O-N 3.11Å; V527-A530 WeakPolarHBondContact O-CB 3.35Å; V527-A530 PolarHBondContact O-N 3.05Å; I528-A530 VanDerWaalsContact C-N 3.32Å; I528-A530 PolarHBondContact O-N 3.2Å; A530-R532 VanDerWaalsContact C-N 3.26Å; A530-R532 PolarHBondContact O-N 2.79Å; A530-R533 PolarHBondContact O-N 3.22Å; A530-A534 PolarHBondContact O-N 2.9Å
531	I	95.1	Very high	93.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-53.1	-46.4	171.7	-68.9	177.1	0	0	0	110.3	F500 V527 I528 R533 A534 L537 L540 L557 F570 R595	F500-I531 HydrophobicContact CE1-CD1 4.38Å; F500-I531 HydrophobicContact CE1-CG1 3.54Å; F500-I531 HydrophobicContact CZ-CD1 4.46Å; F500-I531 HydrophobicContact CZ-CG1 3.8Å; V527-I531 HydrophobicContact CG1-CD1 4.34Å; V527-I531 WeakPolarHBondContact O-CG1 3.32Å; V527-I531 PolarHBondContact O-N 2.95Å; I528-I531 WeakPolarHBondContact O-CB 3.34Å; I528-I531 PolarHBondContact O-N 3.5Å; I531-R533 PolarHBondContact O-N 3.21Å; I531-A534 PolarHBondContact O-N 2.93Å; I531-L537 HydrophobicContact CB-CD2 4.18Å; I531-L537 HydrophobicContact CG1-CD2 4.19Å; I531-L537 HydrophobicContact CG2-CD2 3.74Å; I531-L540 HydrophobicContact CD1-CD1 4.15Å; I531-L540 HydrophobicContact CD1-CD2 4.29Å; I531-L540 HydrophobicContact CG2-CD2 4.28Å; I531-L557 HydrophobicContact CB-CD2 4.5Å; I531-L557 HydrophobicContact CG2-CD2 3.79Å; I531-F570 HydrophobicContact CG2-CE2 3.67Å; I531-F570 HydrophobicContact CG2-CZ 3.87Å; I531-R595 PolarHBondContact O-NH2 3.33Å
532	R	94.4	Very high	93.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-41.9	-179.8	-77.6	-66.3	-58.2	-107.6	-4.1	113.1	I528 L529 A530 D556 L557 R559 V565 H566 G567 A568 R595	I528-R532 WeakPolarHBondContact O-CB 3.44Å; I528-R532 VanDerWaalsContact O-CG 3.31Å; I528-R532 WeakPolarHBondContact O-CG 3.41Å; I528-R532 PolarHBondContact O-N 3.43Å; L529-R532 PolarHBondContact O-N 3.06Å; A530-R532 VanDerWaalsContact C-N 3.26Å; A530-R532 PolarHBondContact O-N 2.79Å; R532-D556 PolarHBondContact NH1-O 3.03Å; R532-L557 WeakPolarHBondContact CD-O 3.39Å; R532-L557 PolarHBondContact NH1-O 3.48Å; R532-R559 VanDerWaalsContact CZ-O 3.24Å; R532-R559 PolarHBondContact NH1-O 3.11Å; R532-R559 PolarHBondContact NH2-O 3.21Å; R532-V565 HydrophobicContact CB-CG1 4.48Å; R532-V565 HydrophobicContact CG-CG1 4.27Å; R532-H566 CarbonylContact C-O 3.45Å; R532-H566 WeakPolarHBondContact CB-O 3.48Å; R532-G567 PolarHBondContact NH2-O 2.79Å; R532-A568 PolarHBondContact NE-O 3.02Å; R532-R595 PolarHBondContact O-NH1 3.14Å
533	R	92.1	Very high	94.1	Very high	119 Å²	119	38 Å²	38	45%	0.449	18%	0.175	S	C	.	.	H	α-helix	trans	-69.2	-30.3	177.1	-78.5	-171.4	-59	-104.3	-0.4	114.2	L529 A530 I531 E535 H566	L529-R533 WeakPolarHBondContact O-CG 3.27Å; L529-R533 PolarHBondContact O-N 3.4Å; A530-R533 PolarHBondContact O-N 3.22Å; I531-R533 PolarHBondContact O-N 3.21Å; R533-E535 PolarHBondContact O-N 2.91Å; R533-H566 HydrophobicContact CG-CB 3.9Å
534	A	91.1	Very high	94.2	Very high	9 Å²	9	37.6 Å²	37.6	7%	0.074	17%	0.174	C	C	.	.			trans	-74	86.8	-177.9	0	0	0	0	0	111.5	L504 A530 I531 H536 L537 R595	L504-A534 HydrophobicContact CD1-CB 4.06Å; L504-A534 HydrophobicContact CD2-CB 3.69Å; L504-A534 HydrophobicContact CG-CB 4.42Å; A530-A534 PolarHBondContact O-N 2.9Å; I531-A534 PolarHBondContact O-N 2.93Å; A534-H536 PolarHBondContact O-N 3.46Å; A534-H536 VanDerWaalsContact O-N 3.17Å; A534-L537 HydrophobicContact CB-CB 4.02Å; A534-L537 VanDerWaalsContact O-CB 3.31Å; A534-L537 WeakPolarHBondContact O-CB 3.36Å; A534-L537 PolarHBondContact O-N 3.26Å; A534-R595 PolarHBondContact O-NH2 3.31Å
535	E	88.4	Confident	94	Very high	133 Å²	133	34.5 Å²	34.5	62%	0.621	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.8	-173.2	-62.8	-170	165.3	0	0	114.4	R533 L537 K538	R533-E535 PolarHBondContact O-N 2.91Å; E535-L537 VanDerWaalsContact C-N 3.29Å; E535-K538 WeakPolarHBondContact O-CE 2.99Å; E535-K538 PolarHBondContact O-NZ 3.25Å
536	H	87.2	Confident	94	Very high	58 Å²	58	34 Å²	34	27%	0.269	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.8	175.1	60.6	-92.7	0	0	0	112.8	A534 K538	A534-H536 PolarHBondContact O-N 3.46Å; A534-H536 VanDerWaalsContact O-N 3.17Å; H536-K538 PolarHBondContact O-N 3.09Å; H536-K538 VanDerWaalsContact O-N 3.11Å
537	L	91.6	Very high	93.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	98.4	175	-178.1	61.1	0	0	0	109.3	V512 A514 I531 A534 E535 R539 F570 R595	V512-L537 HydrophobicContact CB-CD1 4.46Å; V512-L537 HydrophobicContact CG1-CD1 4.12Å; V512-L537 VanDerWaalsContact O-CD1 3.31Å; V512-L537 WeakPolarHBondContact O-CD1 3.47Å; A514-L537 HydrophobicContact CB-CD1 3.75Å; A514-L537 HydrophobicContact CB-CD2 3.88Å; A514-L537 HydrophobicContact CB-CG 4.43Å; I531-L537 HydrophobicContact CB-CD2 4.18Å; I531-L537 HydrophobicContact CG1-CD2 4.19Å; I531-L537 HydrophobicContact CG2-CD2 3.74Å; A534-L537 HydrophobicContact CB-CB 4.02Å; A534-L537 VanDerWaalsContact O-CB 3.31Å; A534-L537 WeakPolarHBondContact O-CB 3.36Å; A534-L537 PolarHBondContact O-N 3.26Å; E535-L537 VanDerWaalsContact C-N 3.29Å; L537-R539 VanDerWaalsContact CD1-O 3.27Å; L537-R539 WeakPolarHBondContact CD1-O 3.46Å; L537-F570 HydrophobicContact CG-CZ 4.39Å; L537-F570 WeakPolarHBondContact O-CZ 3.49Å; L537-R595 PolarHBondContact O-NE 3.38Å; L537-R595 PolarHBondContact O-NH2 2.93Å
538	K	91.4	Very high	93.7	Very high	119 Å²	119	34.1 Å²	34.1	52%	0.517	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-23.4	-177.4	-58.2	-53	-172.8	-173.4	0	113.5	E535 H536 E594 R595	E535-K538 WeakPolarHBondContact O-CE 2.99Å; E535-K538 PolarHBondContact O-NZ 3.25Å; H536-K538 PolarHBondContact O-N 3.09Å; H536-K538 VanDerWaalsContact O-N 3.11Å; K538-E594 CarbonylContact O-C 3.26Å; K538-E594 WeakPolarHBondContact O-CA 3.37Å; K538-R595 HydrophobicContact CD-CB 4.36Å; K538-R595 PolarHBondContact O-N 3.07Å
539	R	94.4	Very high	93.5	Very high	39 Å²	39	36.2 Å²	36.2	15%	0.147	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.6	-175.3	-175.3	169.9	-73.7	146.7	-1.9	111.8	A435 Q436 T513 A514 L537 L592 E594	A435-R539 VanDerWaalsContact O-CD 3.27Å; A435-R539 WeakPolarHBondContact O-CD 3.42Å; A435-R539 PolarHBondContact O-NH1 3.49Å; Q436-R539 VanDerWaalsContact CB-NH1 3.25Å; T513-R539 HydrophobicContact CG2-CB 4.31Å; T513-R539 HydrophobicContact CG2-CG 4.18Å; A514-R539 PolarHBondContact N-O 2.9Å; L537-R539 VanDerWaalsContact CD1-O 3.27Å; L537-R539 WeakPolarHBondContact CD1-O 3.46Å; R539-L592 HydrophobicContact CG-CD1 3.58Å; R539-E594 IonicContact CZ-OE1 2.68Å; R539-E594 IonicContact NE-OE1 3Å; R539-E594 PolarHBondContact NE-OE1 2.95Å; R539-E594 IonicContact NH2-OE1 3.21Å; R539-E594 PolarHBondContact NH2-OE1 3.23Å
540	L	97.3	Very high	93.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	123.2	177.3	169.8	69.9	0	0	0	109.4	A514 V516 I531 L557 F570 F593	A514-L540 HydrophobicContact CB-CD1 3.74Å; A514-L540 CarbonylContact O-C 3.58Å; A514-L540 WeakPolarHBondContact O-CA 3.46Å; V516-L540 HydrophobicContact CG1-CD1 3.86Å; V516-L540 HydrophobicContact CG2-CD1 4.02Å; I531-L540 HydrophobicContact CD1-CD1 4.15Å; I531-L540 HydrophobicContact CD1-CD2 4.29Å; I531-L540 HydrophobicContact CG2-CD2 4.28Å; L540-L557 HydrophobicContact CD2-CD1 3.56Å; L540-L557 HydrophobicContact CD2-CD2 3.65Å; L540-L557 HydrophobicContact CD2-CG 4.26Å; L540-F570 HydrophobicContact CB-CE1 4.25Å; L540-F593 HydrophobicContact CB-CB 4.16Å; L540-F593 HydrophobicContact CD2-CB 4.47Å; L540-F593 HydrophobicContact CD2-CD2 4.47Å; L540-F593 PolarHBondContact N-O 2.9Å; L540-F593 PolarHBondContact O-N 3.4Å
541	V	98.3	Very high	93.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.2	169.7	-176.5	0	0	0	0	108	V431 A435 A514 I515 V516 L590 L592	V431-V541 HydrophobicContact CG1-CG1 4.18Å; V431-V541 HydrophobicContact CG2-CG1 4.21Å; A435-V541 HydrophobicContact CB-CG2 4.2Å; A514-V541 PolarHBondContact O-N 2.64Å; I515-V541 WeakPolarHBondContact CA-O 3.49Å; I515-V541 HydrophobicContact CG1-CB 4.22Å; I515-V541 HydrophobicContact CG2-CB 4.3Å; I515-V541 HydrophobicContact CG2-CG1 4.47Å; V516-V541 PolarHBondContact N-O 2.67Å; V541-L590 HydrophobicContact CG1-CD1 3.35Å; V541-L590 HydrophobicContact CG1-CG 4.24Å; V541-L592 HydrophobicContact CG2-CD1 3.86Å
542	Y	98.3	Very high	93.6	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.1	-178.3	-162.2	-56.9	0	0	0	109.5	V516 P518 L523 A544 A550 N553 F554 L557 L590 L591	V516-Y542 HydrophobicContact CG2-CD1 4.14Å; V516-Y542 HydrophobicContact CG2-CD2 3.28Å; V516-Y542 HydrophobicContact CG2-CE2 3.77Å; V516-Y542 HydrophobicContact CG2-CG 3.5Å; P518-Y542 HydrophobicContact CG-CE1 3.63Å; P518-Y542 WeakPolarHBondContact CG-OH 3.49Å; L523-Y542 HydrophobicContact CD1-CE2 3.94Å; L523-Y542 HydrophobicContact CG-CE2 4.41Å; Y542-A544 HydrophobicContact CD1-CB 4.06Å; Y542-A544 HydrophobicContact CE1-CB 3.93Å; Y542-A550 HydrophobicContact CE1-CB 4.26Å; Y542-N553 HydrophobicContact CE2-CB 4.11Å; Y542-N553 PolarHBondContact OH-OD1 3.42Å; Y542-F554 AromaticContact CD1-CE1 3.68Å; Y542-F554 HydrophobicContact CD1-CE1 3.68Å; Y542-F554 HydrophobicContact CD1-CZ 4.33Å; Y542-F554 HydrophobicContact CD2-CD1 4.41Å; Y542-F554 HydrophobicContact CD2-CE1 4.05Å; Y542-F554 AromaticContact CE1-CE1 3.72Å; Y542-F554 HydrophobicContact CE1-CE1 3.72Å; Y542-F554 HydrophobicContact CE1-CZ 4.28Å; Y542-F554 HydrophobicContact CE2-CD1 4.43Å; Y542-F554 HydrophobicContact CE2-CE1 4.07Å; Y542-F554 AromaticContact CG-CE1 3.87Å; Y542-F554 HydrophobicContact CG-CE1 3.87Å; Y542-F554 AromaticContact CZ-CE1 3.9Å; Y542-L557 HydrophobicContact CD2-CD1 4.27Å; Y542-L590 WeakPolarHBondContact O-CA 3.41Å; Y542-L591 PolarHBondContact N-O 3.39Å; Y542-L591 PolarHBondContact O-N 3.37Å
543	V	97.8	Very high	93.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.1	171.3	-177.7	0	0	0	0	108.7	L427 V431 V516 D517 P518 I589 L590	L427-V543 HydrophobicContact CD1-CG1 4.5Å; L427-V543 HydrophobicContact CD2-CG1 3.91Å; V431-V543 HydrophobicContact CG2-CG2 4.05Å; V516-V543 PolarHBondContact O-N 3.03Å; D517-V543 HydrophobicContact CB-CB 4.06Å; D517-V543 HydrophobicContact CB-CG2 4.46Å; D517-V543 WeakPolarHBondContact OD1-CG1 3.32Å; P518-V543 WeakPolarHBondContact CD-O 3.43Å; V543-I589 CarbonylContact C-O 3.56Å; V543-I589 WeakPolarHBondContact CA-O 3.45Å; V543-L590 HydrophobicContact CG2-CD1 3.71Å
544	A	96.2	Very high	94	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.033	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	110.8	-177	0	0	0	0	0	112.7	Y542 N546 A547 A550 F554 I589	Y542-A544 HydrophobicContact CD1-CB 4.06Å; Y542-A544 HydrophobicContact CE1-CB 3.93Å; A544-N546 VanDerWaalsContact C-N 3.3Å; A544-N546 PolarHBondContact O-N 3.43Å; A544-A547 HydrophobicContact CB-CB 4.22Å; A544-A550 HydrophobicContact CB-CB 4.49Å; A544-F554 HydrophobicContact CB-CZ 3.97Å; A544-I589 PolarHBondContact N-O 3.03Å; A544-I589 PolarHBondContact O-N 3.23Å
545	C	91.9	Very high	94.3	Very high	23 Å²	23	33.8 Å²	33.8	16%	0.155	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-21.6	173	66.4	0	0	0	0	113.6	R520 E588	R520-C545 WeakPolarHBondContact CG-SG 3.33Å; C545-E588 WeakPolarHBondContact CA-OE1 3.46Å; C545-E588 WeakPolarHBondContact CA-OE2 3.31Å; C545-E588 WeakPolarHBondContact CB-OE1 3.3Å; C545-E588 WeakPolarHBondContact CB-OE2 3.42Å; C545-E588 PolarHBondContact N-OE2 3.38Å
546	N	92.3	Very high	94.7	Very high	59 Å²	59	28 Å²	28	32%	0.316	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.1	77.2	175.5	-173.7	-10.7	0	0	0	110.1	R520 A544 K548 A549 A550	R520-N546 HydrophobicContact CB-CB 4.44Å; R520-N546 HydrophobicContact CG-CB 4.33Å; A544-N546 VanDerWaalsContact C-N 3.3Å; A544-N546 PolarHBondContact O-N 3.43Å; N546-K548 PolarHBondContact O-N 3.44Å; N546-K548 PolarHBondContact OD1-N 3.47Å; N546-A549 HydrophobicContact CB-CB 4.22Å; N546-A549 PolarHBondContact O-N 2.96Å; N546-A549 PolarHBondContact OD1-N 2.98Å; N546-A549 VanDerWaalsContact OD1-N 3.1Å; N546-A550 PolarHBondContact O-N 3.38Å
547	A	92.1	Very high	95.1	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.033	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-23.1	-179.8	0	0	0	0	0	114.1	I201 A544 A550 M551 F554 I589	I201-A547 HydrophobicContact CD1-CB 4.01Å; I201-A547 HydrophobicContact CG2-CB 3.9Å; A544-A547 HydrophobicContact CB-CB 4.22Å; A547-A550 PolarHBondContact O-N 3.48Å; A547-M551 PolarHBondContact O-N 3Å; A547-F554 HydrophobicContact CB-CE2 3.91Å; A547-F554 HydrophobicContact CB-CZ 4.25Å; A547-I589 HydrophobicContact CB-CD1 3.65Å
548	K	93.5	Very high	95.4	Very high	105 Å²	105	25.2 Å²	25.2	46%	0.457	13%	0.133	S	C	.	.	H	α-helix	trans	-64.5	-41	171.8	-74.6	172.3	177	158.4	0	111.4	E197 I201 N546 M551	E197-K548 WeakPolarHBondContact OE1-CE 3.47Å; E197-K548 IonicContact OE1-NZ 3.14Å; E197-K548 PolarHBondContact OE1-NZ 2.86Å; I201-K548 HydrophobicContact CD1-CG 4.26Å; I201-K548 HydrophobicContact CG1-CG 4.25Å; N546-K548 PolarHBondContact O-N 3.44Å; N546-K548 PolarHBondContact OD1-N 3.47Å; K548-M551 WeakPolarHBondContact O-CB 3.5Å
549	A	91.6	Very high	95.6	Very high	44 Å²	44	23.2 Å²	23.2	36%	0.364	12%	0.122	S	C	.	.	H	α-helix	trans	-73.8	-39.4	175	0	0	0	0	0	112.1	R520 N546 M551	R520-A549 WeakPolarHBondContact O-CB 3.35Å; N546-A549 HydrophobicContact CB-CB 4.22Å; N546-A549 PolarHBondContact O-N 2.96Å; N546-A549 PolarHBondContact OD1-N 2.98Å; N546-A549 VanDerWaalsContact OD1-N 3.1Å; A549-M551 PolarHBondContact O-N 3.04Å
550	A	94.8	Very high	95.6	Very high	3 Å²	3	22.8 Å²	22.8	3%	0.025	13%	0.127	C	C	.	.	H	α-helix	trans	-74.1	-5.3	177.2	0	0	0	0	0	114.3	Y542 A544 N546 A547 T552 N553 F554	Y542-A550 HydrophobicContact CE1-CB 4.26Å; A544-A550 HydrophobicContact CB-CB 4.49Å; N546-A550 PolarHBondContact O-N 3.38Å; A547-A550 PolarHBondContact O-N 3.48Å; A550-T552 PolarHBondContact O-N 3.4Å; A550-T552 VanDerWaalsContact O-N 3.12Å; A550-N553 WeakPolarHBondContact O-CA 3.31Å; A550-N553 VanDerWaalsContact O-CB 3.27Å; A550-N553 WeakPolarHBondContact O-CB 3.3Å; A550-N553 PolarHBondContact O-N 3.5Å; A550-F554 HydrophobicContact CB-CE1 4.08Å; A550-F554 HydrophobicContact CB-CE2 4.2Å; A550-F554 HydrophobicContact CB-CZ 3.71Å; A550-F554 PolarHBondContact O-N 3.43Å
551	M	96.3	Very high	95.4	Very high	7 Å²	7	26.2 Å²	26.2	3%	0.034	15%	0.15	C	C	.	.	H	α-helix	trans	-51.2	-40.8	-176.8	-177.6	59.4	65.4	0	0	113	I201 R204 L205 A547 K548 A549 N553 F554 I555	I201-M551 HydrophobicContact CG2-CE 3.88Å; R204-M551 HydrophobicContact CB-CE 4.31Å; R204-M551 HydrophobicContact CG-CE 4.25Å; L205-M551 HydrophobicContact CB-CE 4.22Å; L205-M551 HydrophobicContact CB-SD 3.97Å; L205-M551 HydrophobicContact CD1-SD 3.95Å; A547-M551 PolarHBondContact O-N 3Å; K548-M551 WeakPolarHBondContact O-CB 3.5Å; A549-M551 PolarHBondContact O-N 3.04Å; M551-N553 VanDerWaalsContact C-N 3.29Å; M551-N553 PolarHBondContact O-N 2.92Å; M551-F554 PolarHBondContact O-N 3.07Å; M551-F554 HydrophobicContact SD-CD2 4.41Å; M551-I555 HydrophobicContact CG-CD1 3.85Å; M551-I555 HydrophobicContact CG-CG1 4.48Å; M551-I555 WeakPolarHBondContact O-CD1 3.32Å; M551-I555 VanDerWaalsContact O-CG1 3.25Å; M551-I555 WeakPolarHBondContact O-CG1 3.35Å; M551-I555 PolarHBondContact O-N 3.41Å; M551-I555 HydrophobicContact SD-CD1 4.28Å; M551-I555 HydrophobicContact SD-CG1 4.38Å
552	T	95.8	Very high	95.1	Very high	84 Å²	84	28.9 Å²	28.9	52%	0.515	17%	0.168	S	C	.	.	H	α-helix	trans	-61.9	-36.8	176.7	-59.1	0	0	0	0	112	A550 I555 D556	A550-T552 PolarHBondContact O-N 3.4Å; A550-T552 VanDerWaalsContact O-N 3.12Å; T552-I555 PolarHBondContact O-N 3.49Å; T552-D556 VanDerWaalsContact O-CB 3.32Å; T552-D556 WeakPolarHBondContact O-CB 3.26Å; T552-D556 PolarHBondContact O-N 2.69Å
553	N	96.8	Very high	94.6	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.053	21%	0.208	C	C	.	.	H	α-helix	trans	-63.8	-45.6	174.7	-63.3	165.2	0	0	0	111.7	G522 L523 I528 Y542 A550 M551 I555 D556 L557	G522-N553 WeakPolarHBondContact CA-OD1 3.29Å; L523-N553 PolarHBondContact N-OD1 3.25Å; L523-N553 PolarHBondContact O-ND2 3.36Å; L523-N553 PolarHBondContact O-OD1 3.19Å; I528-N553 HydrophobicContact CD1-CB 3.93Å; I528-N553 HydrophobicContact CG1-CB 4.27Å; Y542-N553 HydrophobicContact CE2-CB 4.11Å; Y542-N553 PolarHBondContact OH-OD1 3.42Å; A550-N553 WeakPolarHBondContact O-CA 3.31Å; A550-N553 VanDerWaalsContact O-CB 3.27Å; A550-N553 WeakPolarHBondContact O-CB 3.3Å; A550-N553 PolarHBondContact O-N 3.5Å; M551-N553 VanDerWaalsContact C-N 3.29Å; M551-N553 PolarHBondContact O-N 2.92Å; N553-I555 VanDerWaalsContact C-N 3.29Å; N553-I555 PolarHBondContact O-N 3.23Å; N553-D556 PolarHBondContact O-N 2.91Å; N553-L557 VanDerWaalsContact O-CG 3.32Å; N553-L557 WeakPolarHBondContact O-CG 3.3Å; N553-L557 PolarHBondContact O-N 3.37Å
554	F	97.7	Very high	94	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-42.2	178.7	-52.8	-28.6	0	0	0	111.5	L205 Y542 A544 A547 A550 M551 L557 C558 L591 F593	L205-F554 HydrophobicContact CD1-CB 3.57Å; L205-F554 HydrophobicContact CD2-CB 3.95Å; L205-F554 HydrophobicContact CD2-CD2 4.27Å; L205-F554 HydrophobicContact CD2-CG 4.38Å; L205-F554 HydrophobicContact CG-CB 4.42Å; Y542-F554 AromaticContact CD1-CE1 3.68Å; Y542-F554 HydrophobicContact CD1-CE1 3.68Å; Y542-F554 HydrophobicContact CD1-CZ 4.33Å; Y542-F554 HydrophobicContact CD2-CD1 4.41Å; Y542-F554 HydrophobicContact CD2-CE1 4.05Å; Y542-F554 AromaticContact CE1-CE1 3.72Å; Y542-F554 HydrophobicContact CE1-CE1 3.72Å; Y542-F554 HydrophobicContact CE1-CZ 4.28Å; Y542-F554 HydrophobicContact CE2-CD1 4.43Å; Y542-F554 HydrophobicContact CE2-CE1 4.07Å; Y542-F554 AromaticContact CG-CE1 3.87Å; Y542-F554 HydrophobicContact CG-CE1 3.87Å; Y542-F554 AromaticContact CZ-CE1 3.9Å; A544-F554 HydrophobicContact CB-CZ 3.97Å; A547-F554 HydrophobicContact CB-CE2 3.91Å; A547-F554 HydrophobicContact CB-CZ 4.25Å; A550-F554 HydrophobicContact CB-CE1 4.08Å; A550-F554 HydrophobicContact CB-CE2 4.2Å; A550-F554 HydrophobicContact CB-CZ 3.71Å; A550-F554 PolarHBondContact O-N 3.43Å; M551-F554 PolarHBondContact O-N 3.07Å; M551-F554 HydrophobicContact SD-CD2 4.41Å; F554-L557 PolarHBondContact O-N 3.21Å; F554-C558 PolarHBondContact O-N 3.22Å; F554-C558 PolarHBondContact O-SG 2.98Å; F554-L591 HydrophobicContact CD1-CD1 4.11Å; F554-L591 HydrophobicContact CD2-CD1 4.06Å; F554-L591 HydrophobicContact CE1-CD1 3.75Å; F554-L591 HydrophobicContact CE2-CD1 3.69Å; F554-L591 HydrophobicContact CG-CD1 4.27Å; F554-L591 HydrophobicContact CZ-CD1 3.53Å; F554-F593 HydrophobicContact CB-CZ 4.08Å; F554-F593 HydrophobicContact CD1-CE2 4.07Å; F554-F593 AromaticContact CD1-CZ 3.87Å; F554-F593 HydrophobicContact CD1-CZ 3.87Å; F554-F593 HydrophobicContact CG-CZ 4.13Å
555	I	96.6	Very high	93.7	Very high	16 Å²	16	46.9 Å²	46.9	8%	0.082	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-46.7	176.3	-64.4	164.5	0	0	0	110.6	L205 E208 T212 M551 T552 N553 L557 C558 R559	L205-I555 HydrophobicContact CD1-CG1 4.17Å; E208-I555 HydrophobicContact CB-CD1 3.59Å; E208-I555 HydrophobicContact CB-CG1 3.7Å; E208-I555 HydrophobicContact CG-CD1 3.8Å; E208-I555 HydrophobicContact CG-CG1 4.41Å; T212-I555 HydrophobicContact CG2-CG2 3.77Å; M551-I555 HydrophobicContact CG-CD1 3.85Å; M551-I555 HydrophobicContact CG-CG1 4.48Å; M551-I555 WeakPolarHBondContact O-CD1 3.32Å; M551-I555 VanDerWaalsContact O-CG1 3.25Å; M551-I555 WeakPolarHBondContact O-CG1 3.35Å; M551-I555 PolarHBondContact O-N 3.41Å; M551-I555 HydrophobicContact SD-CD1 4.28Å; M551-I555 HydrophobicContact SD-CG1 4.38Å; T552-I555 PolarHBondContact O-N 3.49Å; N553-I555 VanDerWaalsContact C-N 3.29Å; N553-I555 PolarHBondContact O-N 3.23Å; I555-L557 VanDerWaalsContact C-N 3.3Å; I555-L557 PolarHBondContact O-N 3.34Å; I555-C558 CarbonylContact O-C 3.49Å; I555-C558 PolarHBondContact O-N 2.92Å; I555-R559 PolarHBondContact O-N 3.26Å
556	D	96.4	Very high	93.7	Very high	11 Å²	11	50.5 Å²	50.5	6%	0.059	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-37.3	-179.6	-73.1	-5.5	0	0	0	111.8	I528 R532 T552 N553 C558 R559	I528-D556 HydrophobicContact CG2-CB 3.71Å; R532-D556 PolarHBondContact NH1-O 3.03Å; T552-D556 VanDerWaalsContact O-CB 3.32Å; T552-D556 WeakPolarHBondContact O-CB 3.26Å; T552-D556 PolarHBondContact O-N 2.69Å; N553-D556 PolarHBondContact O-N 2.91Å; D556-C558 VanDerWaalsContact C-N 3.29Å; D556-C558 PolarHBondContact O-N 2.82Å; D556-R559 PolarHBondContact O-N 2.68Å; D556-R559 IonicContact OD1-CZ 3.34Å; D556-R559 IonicContact OD1-NH1 2.71Å; D556-R559 PolarHBondContact OD1-NH1 3Å; D556-R559 IonicContact OD1-NH2 3.64Å; D556-R559 PolarHBondContact OD1-NH2 2.91Å
557	L	97.3	Very high	93.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-34.5	172.9	-73.7	165.2	0	0	0	112.4	I528 I531 R532 L540 Y542 N553 F554 I555 F570 F593	I528-L557 HydrophobicContact CD1-CD1 4.36Å; I528-L557 HydrophobicContact CD1-CD2 4.29Å; I528-L557 HydrophobicContact CD1-CG 4.2Å; I528-L557 HydrophobicContact CG2-CD2 3.95Å; I528-L557 HydrophobicContact CG2-CG 3.99Å; I531-L557 HydrophobicContact CB-CD2 4.5Å; I531-L557 HydrophobicContact CG2-CD2 3.79Å; R532-L557 WeakPolarHBondContact CD-O 3.39Å; R532-L557 PolarHBondContact NH1-O 3.48Å; L540-L557 HydrophobicContact CD2-CD1 3.56Å; L540-L557 HydrophobicContact CD2-CD2 3.65Å; L540-L557 HydrophobicContact CD2-CG 4.26Å; Y542-L557 HydrophobicContact CD2-CD1 4.27Å; N553-L557 VanDerWaalsContact O-CG 3.32Å; N553-L557 WeakPolarHBondContact O-CG 3.3Å; N553-L557 PolarHBondContact O-N 3.37Å; F554-L557 PolarHBondContact O-N 3.21Å; I555-L557 VanDerWaalsContact C-N 3.3Å; I555-L557 PolarHBondContact O-N 3.34Å; L557-F570 HydrophobicContact CB-CB 4.47Å; L557-F570 HydrophobicContact CD2-CD2 4.25Å; L557-F570 PolarHBondContact O-N 3.33Å; L557-F593 HydrophobicContact CD1-CD2 4.47Å; L557-F593 HydrophobicContact CD1-CE2 4.4Å
558	C	97.1	Very high	93.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-94.1	-8.9	-177.3	-56.7	0	0	0	0	114.7	I209 N213 F554 I555 D556 P569 F570	I209-C558 HydrophobicContact CD1-CB 4.08Å; I209-C558 HydrophobicContact CG1-CB 3.76Å; I209-C558 HydrophobicContact CG2-CB 4.38Å; N213-C558 WeakPolarHBondContact CB-O 3.36Å; N213-C558 PolarHBondContact ND2-O 2.94Å; F554-C558 PolarHBondContact O-N 3.22Å; F554-C558 PolarHBondContact O-SG 2.98Å; I555-C558 CarbonylContact O-C 3.49Å; I555-C558 PolarHBondContact O-N 2.92Å; D556-C558 VanDerWaalsContact C-N 3.29Å; D556-C558 PolarHBondContact O-N 2.82Å; C558-P569 WeakPolarHBondContact O-CB 3.35Å; C558-F570 WeakPolarHBondContact CA-O 3.46Å; C558-F570 PolarHBondContact SG-O 3.2Å
559	R	95.4	Very high	93.9	Very high	77 Å²	77	44.5 Å²	44.5	29%	0.291	24%	0.242	S	C	.	.	S	Bend	trans	-60.9	144.3	-173.2	-174	174.4	-70.8	130.9	7.1	112.7	R532 I555 D556	R532-R559 VanDerWaalsContact CZ-O 3.24Å; R532-R559 PolarHBondContact NH1-O 3.11Å; R532-R559 PolarHBondContact NH2-O 3.21Å; I555-R559 PolarHBondContact O-N 3.26Å; D556-R559 PolarHBondContact O-N 2.68Å; D556-R559 IonicContact OD1-CZ 3.34Å; D556-R559 IonicContact OD1-NH1 2.71Å; D556-R559 PolarHBondContact OD1-NH1 3Å; D556-R559 IonicContact OD1-NH2 3.64Å; D556-R559 PolarHBondContact OD1-NH2 2.91Å
560	A	93.8	Very high	94.1	Very high	31 Å²	31	42.4 Å²	42.4	26%	0.256	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-57.4	147.9	174	0	0	0	0	0	112	T212 N213	T212-A560 PolarHBondContact O-N 2.81Å; N213-A560 HydrophobicContact CB-CB 4.26Å
561	P	93.2	Very high	94.2	Very high	72 Å²	72	45.4 Å²	45.4	47%	0.468	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-56.2	142.7	173.4	-22.8	33.4	0	0	0	112	V565	P561-V565 CarbonylContact C-O 3.55Å; P561-V565 WeakPolarHBondContact CA-O 3.45Å
562	S	91.8	Very high	94.3	Very high	55 Å²	55	45.1 Å²	45.1	39%	0.385	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-157.2	174.9	177.4	65.2	0	0	0	0	110.5	R564 V565	S562-R564 PolarHBondContact O-N 2.98Å; S562-R564 PolarHBondContact OG-N 2.84Å; S562-V565 PolarHBondContact N-O 3.31Å; S562-V565 CarbonylContact O-C 3.27Å; S562-V565 VanDerWaalsContact O-C 3.27Å; S562-V565 PolarHBondContact O-N 2.95Å; S562-V565 PolarHBondContact OG-N 3.17Å
563	N	87.8	Confident	94.3	Very high	158 Å²	158	42.7 Å²	42.7	85%	0.845	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.9	174.4	-65.7	-11.7	0	0	0	114.1	H566	N563-H566 PolarHBondContact O-NE2 2.83Å
564	R	86	Confident	94.4	Very high	218 Å²	218	44.5 Å²	44.5	82%	0.823	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	-22.8	176.7	-66.7	-176.1	177.2	-178.6	-0	113.3	S562	S562-R564 PolarHBondContact O-N 2.98Å; S562-R564 PolarHBondContact OG-N 2.84Å
565	V	90.5	Very high	94.4	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.042	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-131.2	97.8	-175.6	-173.1	0	0	0	0	108	L529 R532 P561 S562	L529-V565 HydrophobicContact CD2-CB 4.3Å; L529-V565 HydrophobicContact CD2-CG1 4.16Å; L529-V565 HydrophobicContact CD2-CG2 3.88Å; R532-V565 HydrophobicContact CB-CG1 4.48Å; R532-V565 HydrophobicContact CG-CG1 4.27Å; P561-V565 CarbonylContact C-O 3.55Å; P561-V565 WeakPolarHBondContact CA-O 3.45Å; S562-V565 PolarHBondContact N-O 3.31Å; S562-V565 CarbonylContact O-C 3.27Å; S562-V565 VanDerWaalsContact O-C 3.27Å; S562-V565 PolarHBondContact O-N 2.95Å; S562-V565 PolarHBondContact OG-N 3.17Å
566	H	91	Very high	94.4	Very high	99 Å²	99	43.8 Å²	43.8	46%	0.458	22%	0.222	S	C	.	.			trans	-87.3	160.6	-179.4	-60.1	-77.2	0	0	0	111.7	R532 R533 N563	R532-H566 CarbonylContact C-O 3.45Å; R532-H566 WeakPolarHBondContact CB-O 3.48Å; R533-H566 HydrophobicContact CG-CB 3.9Å; N563-H566 PolarHBondContact O-NE2 2.83Å
567	G	91.5	Very high	94.5	Very high	17 Å²	17	43.3 Å²	43.3	18%	0.175	22%	0.219	C	C	.	.	S	Bend	trans	79.3	156.8	178.8	0	0	0	0	0	113.9	R532	R532-G567 PolarHBondContact NH2-O 2.79Å
568	A	93.9	Very high	94.6	Very high	26 Å²	26	43.3 Å²	43.3	22%	0.215	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-59.8	146.3	-179.4	0	0	0	0	0	111.9	R532 R595 Y598	R532-A568 PolarHBondContact NE-O 3.02Å; A568-R595 HydrophobicContact CB-CG 4.06Å; A568-R595 PolarHBondContact O-NH1 3.37Å; A568-Y598 HydrophobicContact CB-CE2 4.36Å
569	P	96.1	Very high	94.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-68.9	159.2	177.7	30.5	-33.4	0	0	0	112.8	M216 C558 V596 Y598	M216-P569 HydrophobicContact SD-CB 4.48Å; M216-P569 HydrophobicContact SD-CG 4.45Å; C558-P569 WeakPolarHBondContact O-CB 3.35Å; P569-V596 HydrophobicContact CG-CB 4.29Å; P569-V596 HydrophobicContact CG-CG2 4.15Å; P569-V596 PolarHBondContact O-N 3.25Å; P569-Y598 HydrophobicContact CG-CE2 4.42Å; P569-Y598 VanDerWaalsContact CG-OH 3.3Å; P569-Y598 WeakPolarHBondContact CG-OH 3.49Å
570	F	97.3	Very high	94.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	163.7	162.1	-70.1	-99	0	0	0	110.3	I531 L537 L540 L557 C558 F593 E594 R595	I531-F570 HydrophobicContact CG2-CE2 3.67Å; I531-F570 HydrophobicContact CG2-CZ 3.87Å; L537-F570 HydrophobicContact CG-CZ 4.39Å; L537-F570 WeakPolarHBondContact O-CZ 3.49Å; L540-F570 HydrophobicContact CB-CE1 4.25Å; L557-F570 HydrophobicContact CB-CB 4.47Å; L557-F570 HydrophobicContact CD2-CD2 4.25Å; L557-F570 PolarHBondContact O-N 3.33Å; C558-F570 WeakPolarHBondContact CA-O 3.46Å; C558-F570 PolarHBondContact SG-O 3.2Å; F570-F593 HydrophobicContact CB-CB 4.09Å; F570-F593 HydrophobicContact CB-CD1 4.31Å; F570-F593 HydrophobicContact CD1-CB 4.07Å; F570-F593 HydrophobicContact CG-CB 4.42Å; F570-E594 CarbonylContact C-O 3.53Å; F570-E594 VanDerWaalsContact CA-O 3.29Å; F570-E594 WeakPolarHBondContact CA-O 3.49Å; F570-R595 HydrophobicContact CD1-CB 4.19Å; F570-R595 HydrophobicContact CE1-CB 4.03Å; F570-R595 VanDerWaalsContact CE2-NH2 3.31Å; F570-R595 HydrophobicContact CZ-CB 4.41Å
571	R	96.7	Very high	94.9	Very high	66 Å²	66	39.4 Å²	39.4	25%	0.249	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	142.4	167.6	65.5	-179.9	176.3	-170.2	-2.3	109.6	M216 W219 V573 F593 E594 V596	M216-R571 HydrophobicContact CE-CB 3.44Å; M216-R571 VanDerWaalsContact CE-CB 3.44Å; W219-R571 HydrophobicContact CH2-CB 3.84Å; W219-R571 HydrophobicContact CZ2-CB 3.99Å; W219-R571 HydrophobicContact CZ2-CG 4.17Å; W219-R571 HydrophobicContact CZ3-CB 4.26Å; R571-V573 HydrophobicContact CG-CG1 4.12Å; R571-V573 PolarHBondContact O-N 2.85Å; R571-F593 WeakPolarHBondContact O-CA 3.48Å; R571-E594 PolarHBondContact N-O 2.78Å; R571-E594 PolarHBondContact O-N 2.8Å; R571-V596 HydrophobicContact CB-CG2 4.12Å; R571-V596 HydrophobicContact CG-CG2 4.14Å
572	P	97.6	Very high	95.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	133.4	170	28.6	-32.5	0	0	0	108.8	L205 I209 W219 C231 C232 L592 F593	L205-P572 HydrophobicContact CD2-CG 4.48Å; I209-P572 HydrophobicContact CD1-CG 4Å; W219-P572 HydrophobicContact CH2-CG 4.19Å; W219-P572 WeakPolarHBondContact CZ2-O 2.89Å; C231-P572 HydrophobicContact CB-CG 3.74Å; C231-P572 WeakPolarHBondContact SG-CG 3.36Å; C232-P572 HydrophobicContact CB-CB 4.28Å; P572-L592 WeakPolarHBondContact CA-O 3.43Å; P572-F593 HydrophobicContact CB-CD1 4.15Å; P572-F593 HydrophobicContact CB-CE1 3.85Å; P572-F593 HydrophobicContact CB-CZ 4.45Å; P572-F593 HydrophobicContact CG-CE1 4.33Å
573	V	96.9	Very high	95.4	Very high	33 Å²	33	34 Å²	34	20%	0.2	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-26.6	-178.9	-65.2	0	0	0	0	112.9	P233 R571 L592 E594	P233-V573 WeakPolarHBondContact CD-O 3.49Å; P233-V573 WeakPolarHBondContact CG-O 3.47Å; R571-V573 HydrophobicContact CG-CG1 4.12Å; R571-V573 PolarHBondContact O-N 2.85Å; V573-L592 HydrophobicContact CG2-CB 3.73Å; V573-L592 HydrophobicContact CG2-CD2 3.45Å; V573-L592 VanDerWaalsContact CG2-CD2 3.45Å; V573-L592 HydrophobicContact CG2-CG 3.38Å; V573-L592 WeakPolarHBondContact CG2-O 3.22Å; V573-L592 PolarHBondContact N-O 3.15Å; V573-E594 HydrophobicContact CG1-CB 3.85Å; V573-E594 HydrophobicContact CG1-CG 3.96Å; V573-E594 HydrophobicContact CG2-CG 3.85Å
574	R	97.1	Very high	95.8	Very high	48 Å²	48	27 Å²	27	18%	0.181	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	156.7	170.8	56.7	174.8	170.9	-167.9	-12.7	110.9	P233 E235 W434 L592	P233-R574 HydrophobicContact CG-CB 4.32Å; E235-R574 IonicContact OE1-NH1 2.79Å; W434-R574 VanDerWaalsContact CB-NH2 3.34Å; W434-R574 HydrophobicContact CD2-CG 4.38Å; W434-R574 VanDerWaalsContact CD2-CZ 3.47Å; W434-R574 HydrophobicContact CE3-CG 4.09Å; W434-R574 HydrophobicContact CH2-CB 4.36Å; W434-R574 HydrophobicContact CH2-CG 3.9Å; W434-R574 HydrophobicContact CZ2-CG 4.23Å; W434-R574 HydrophobicContact CZ3-CG 3.85Å; W434-R574 VanDerWaalsContact NE1-NH1 3.16Å; W434-R574 PolarHBondContact O-NH2 3.49Å; R574-L592 HydrophobicContact CG-CB 3.59Å; R574-L592 HydrophobicContact CG-CD2 3.99Å; R574-L592 HydrophobicContact CG-CG 4.39Å; R574-L592 PolarHBondContact O-N 2.91Å
575	A	98.4	Very high	96.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.1	175.5	0	0	0	0	0	110.3	L202 P233 L234 E235 L590 L591	L202-A575 HydrophobicContact CD1-CB 3.64Å; L202-A575 HydrophobicContact CD2-CB 3.85Å; L202-A575 HydrophobicContact CG-CB 4.37Å; P233-A575 PolarHBondContact O-N 2.81Å; L234-A575 CarbonylContact C-O 3.59Å; L234-A575 WeakPolarHBondContact CA-O 3.37Å; L234-A575 HydrophobicContact CD1-CB 4.09Å; E235-A575 PolarHBondContact N-O 3.19Å; A575-L590 CarbonylContact C-O 3.6Å; A575-L590 WeakPolarHBondContact CA-O 3.25Å; A575-L591 HydrophobicContact CB-CD2 3.67Å
576	M	97.6	Very high	96.4	Very high	2 Å²	2	26 Å²	26	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	164.9	167.4	70.9	-176.1	-54.7	0	0	109.1	E235 R238 A430 W434 V578 L590	E235-M576 HydrophobicContact CB-CB 4.06Å; R238-M576 HydrophobicContact CB-CE 4.46Å; R238-M576 HydrophobicContact CG-CE 3.23Å; A430-M576 HydrophobicContact CB-CE 4.03Å; A430-M576 HydrophobicContact CB-SD 3.52Å; A430-M576 VanDerWaalsContact CB-SD 3.52Å; W434-M576 HydrophobicContact CD2-SD 4.44Å; W434-M576 HydrophobicContact CH2-CB 3.51Å; W434-M576 HydrophobicContact CH2-CG 3.31Å; W434-M576 HydrophobicContact CH2-SD 3.66Å; W434-M576 HydrophobicContact CZ2-CB 3.8Å; W434-M576 HydrophobicContact CZ2-CG 3.6Å; W434-M576 HydrophobicContact CZ2-SD 3.3Å; W434-M576 WeakPolarHBondContact CZ2-SD 3.44Å; W434-M576 HydrophobicContact CZ3-CG 3.97Å; W434-M576 HydrophobicContact CZ3-SD 4.32Å; M576-V578 HydrophobicContact CE-CG2 4.46Å; M576-L590 HydrophobicContact CG-CB 3.71Å; M576-L590 HydrophobicContact CG-CD2 4.01Å; M576-L590 HydrophobicContact CG-CG 4.36Å; M576-L590 PolarHBondContact N-O 3.04Å; M576-L590 PolarHBondContact O-N 2.96Å; M576-L590 HydrophobicContact SD-CB 4.49Å; M576-L590 HydrophobicContact SD-CD2 3.71Å
577	A	97.8	Very high	96.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.008	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	143.9	175.7	0	0	0	0	0	109.4	V198 I237 R238 V587 E588	V198-A577 HydrophobicContact CG2-CB 3.84Å; I237-A577 WeakPolarHBondContact CA-O 3.29Å; I237-A577 HydrophobicContact CB-CB 4.17Å; I237-A577 HydrophobicContact CD1-CB 3.96Å; I237-A577 HydrophobicContact CG1-CB 3.8Å; R238-A577 PolarHBondContact N-O 3.32Å; A577-V587 HydrophobicContact CB-CG2 3.78Å; A577-E588 CarbonylContact C-O 3.54Å; A577-E588 VanDerWaalsContact CA-O 3.29Å; A577-E588 WeakPolarHBondContact CA-O 3.29Å
578	V	98.4	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.1	171.7	-177.4	0	0	0	0	108.2	R238 V426 L427 M576 L580 V587 E588	R238-V578 HydrophobicContact CB-CG1 4.5Å; R238-V578 HydrophobicContact CB-CG2 4.19Å; V426-V578 HydrophobicContact CB-CG1 4.32Å; V426-V578 HydrophobicContact CG1-CG1 4.1Å; V426-V578 HydrophobicContact CG1-CG2 4.49Å; L427-V578 HydrophobicContact CB-CB 4.44Å; L427-V578 HydrophobicContact CB-CG1 4.34Å; L427-V578 HydrophobicContact CB-CG2 4.18Å; L427-V578 HydrophobicContact CD1-CB 4.41Å; L427-V578 HydrophobicContact CD1-CG2 3.88Å; M576-V578 HydrophobicContact CE-CG2 4.46Å; V578-L580 VanDerWaalsContact C-N 3.31Å; V578-L580 PolarHBondContact O-N 3.17Å; V578-V587 WeakPolarHBondContact O-CG2 3.31Å; V578-E588 PolarHBondContact N-O 3.46Å; V578-E588 PolarHBondContact O-N 3.06Å
579	D	98.3	Very high	97.1	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.09	C	C	.	.			trans	-77.3	84.3	174.8	-172.9	14.6	0	0	0	111.7	Y187 L191 K194 R238 S240 F581 P582	Y187-D579 WeakPolarHBondContact CE2-OD2 3.49Å; Y187-D579 PolarHBondContact OH-OD2 3.27Å; L191-D579 HydrophobicContact CD2-CB 3.87Å; K194-D579 IonicContact NZ-OD1 2.82Å; K194-D579 PolarHBondContact NZ-OD1 3.37Å; K194-D579 IonicContact NZ-OD2 2.76Å; K194-D579 PolarHBondContact NZ-OD2 3.03Å; K194-D579 VanDerWaalsContact NZ-OD2 3.09Å; R238-D579 PolarHBondContact O-N 3.48Å; S240-D579 WeakPolarHBondContact CB-O 3.49Å; S240-D579 PolarHBondContact OG-O 2.94Å; D579-F581 VanDerWaalsContact C-N 3.29Å; D579-F581 PolarHBondContact OD1-N 3.37Å; D579-F581 VanDerWaalsContact OD1-N 3.15Å; D579-P582 WeakPolarHBondContact OD2-CA 3.29Å
580	L	97.4	Very high	97.2	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-75.6	-21.2	174.9	-151.8	93.1	0	0	0	112.7	N420 A423 A424 V578 E588	N420-L580 HydrophobicContact CB-CG 4.24Å; N420-L580 WeakPolarHBondContact CB-O 3.23Å; N420-L580 PolarHBondContact ND2-O 2.81Å; A423-L580 HydrophobicContact CB-CB 4.42Å; A423-L580 HydrophobicContact CB-CD1 3.64Å; A423-L580 HydrophobicContact CB-CG 4.11Å; A424-L580 HydrophobicContact CB-CD1 4.36Å; V578-L580 VanDerWaalsContact C-N 3.31Å; V578-L580 PolarHBondContact O-N 3.17Å; L580-E588 HydrophobicContact CB-CG 3.73Å; L580-E588 HydrophobicContact CD1-CG 4.44Å; L580-E588 HydrophobicContact CD2-CG 4.07Å; L580-E588 HydrophobicContact CG-CG 4.28Å
581	F	97.2	Very high	97.3	Very high	25 Å²	25	20 Å²	20	11%	0.11	9%	0.09	C	C	.	.	S	Bend	trans	-131.8	69.6	-173.2	-46.3	-84	0	0	0	112	K194 V419 D579 T584 H586 E588	K194-F581 PolarHBondContact NZ-O 3.25Å; V419-F581 HydrophobicContact CG2-CD1 4.01Å; V419-F581 HydrophobicContact CG2-CE1 3.5Å; D579-F581 VanDerWaalsContact C-N 3.29Å; D579-F581 PolarHBondContact OD1-N 3.37Å; D579-F581 VanDerWaalsContact OD1-N 3.15Å; F581-T584 HydrophobicContact CB-CG2 4.19Å; F581-T584 WeakPolarHBondContact CB-OG1 3.38Å; F581-T584 PolarHBondContact O-N 3.32Å; F581-T584 PolarHBondContact O-OG1 2.8Å; F581-H586 HydrophobicContact CB-CB 4.11Å; F581-H586 HydrophobicContact CD2-CB 3.53Å; F581-H586 HydrophobicContact CE2-CB 4.18Å; F581-H586 HydrophobicContact CG-CB 4.02Å; F581-E588 HydrophobicContact CE2-CG 4.35Å
582	P	98	Very high	97.3	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	151.3	170.9	-30.4	37.6	0	0	0	112.4	Y187 Q243 Y246 D579 T584	Y187-P582 HydrophobicContact CE2-CB 4.03Å; Y187-P582 HydrophobicContact CE2-CG 4.33Å; Q243-P582 HydrophobicContact CB-CB 4.23Å; Q243-P582 WeakPolarHBondContact O-CB 3.49Å; Y246-P582 HydrophobicContact CD1-CB 4.4Å; Y246-P582 HydrophobicContact CD1-CG 4.29Å; Y246-P582 HydrophobicContact CE1-CB 4Å; Y246-P582 HydrophobicContact CE1-CG 4.17Å; Y246-P582 PolarHBondContact OH-O 2.86Å; D579-P582 WeakPolarHBondContact OD2-CA 3.29Å; P582-T584 PolarHBondContact O-N 2.71Å
583	Q	97.6	Very high	97.4	Very high	13 Å²	13	17 Å²	17	6%	0.061	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	-0.6	-178.7	-33.1	-53.2	-27.9	0	0	114.7	T180 L182 W183 Q190 Q243	T180-Q583 CarbonylContact C-O 3.54Å; T180-Q583 WeakPolarHBondContact CA-O 3.49Å; T180-Q583 HydrophobicContact CG2-CB 3.79Å; L182-Q583 PolarHBondContact N-O 3.05Å; W183-Q583 HydrophobicContact CB-CB 4.46Å; Q190-Q583 VanDerWaalsContact OE1-CA 3.3Å; Q243-Q583 PolarHBondContact O-NE2 3.33Å
584	T	96.6	Very high	97.3	Very high	11 Å²	11	18 Å²	18	7%	0.067	8%	0.081	C	C	.	.	S	Bend	trans	-116.3	168	174.1	84.7	0	0	0	0	111.1	T180 L182 K194 F581 P582 H586	T180-T584 HydrophobicContact CG2-CG2 4.5Å; L182-T584 VanDerWaalsContact CD1-O 3.27Å; L182-T584 WeakPolarHBondContact CD1-O 3.38Å; K194-T584 WeakPolarHBondContact CE-O 3.31Å; K194-T584 PolarHBondContact NZ-O 2.82Å; K194-T584 VanDerWaalsContact NZ-O 3.09Å; F581-T584 HydrophobicContact CB-CG2 4.19Å; F581-T584 WeakPolarHBondContact CB-OG1 3.38Å; F581-T584 PolarHBondContact O-N 3.32Å; F581-T584 PolarHBondContact O-OG1 2.8Å; P582-T584 PolarHBondContact O-N 2.71Å; T584-H586 VanDerWaalsContact C-N 3.25Å; T584-H586 PolarHBondContact O-N 3.46Å; T584-H586 PolarHBondContact OG1-N 2.98Å; T584-H586 VanDerWaalsContact OG1-N 3.1Å
585	K	94.8	Very high	97.3	Very high	125 Å²	125	16.6 Å²	16.6	54%	0.543	8%	0.076	S	C	.	.	S	Bend	trans	-79.6	-5.3	173.1	-60	-176.1	-179.4	-175	0	113.5	P181 L182	P181-K585 HydrophobicContact CG-CG 4.31Å; L182-K585 HydrophobicContact CD1-CG 4.32Å; L182-K585 HydrophobicContact CD2-CG 4.32Å; L182-K585 HydrophobicContact CG-CG 4.26Å
586	H	94.9	Very high	96.9	Very high	79 Å²	79	17.1 Å²	17.1	37%	0.366	8%	0.079	S	C	.	.			trans	-79.3	146.5	-177.5	-66.3	-56.7	0	0	0	111.3	K194 R520 F581 T584	K194-H586 VanDerWaalsContact CE-O 3.29Å; K194-H586 WeakPolarHBondContact CE-O 3.35Å; K194-H586 PolarHBondContact NZ-O 2.82Å; R520-H586 PolarHBondContact NH2-CE1 3.49Å; R520-H586 PolarHBondContact NH2-NE2 3.25Å; F581-H586 HydrophobicContact CB-CB 4.11Å; F581-H586 HydrophobicContact CD2-CB 3.53Å; F581-H586 HydrophobicContact CE2-CB 4.18Å; F581-H586 HydrophobicContact CG-CB 4.02Å; T584-H586 VanDerWaalsContact C-N 3.25Å; T584-H586 PolarHBondContact O-N 3.46Å; T584-H586 PolarHBondContact OG1-N 2.98Å; T584-H586 VanDerWaalsContact OG1-N 3.1Å
587	V	95.7	Very high	96.1	Very high	9 Å²	9	21.1 Å²	21.1	6%	0.055	10%	0.1	C	C	.	.			trans	-147.7	143.8	176.7	68.3	0	0	0	0	108.4	K194 V198 I237 A577 V578 I589	K194-V587 HydrophobicContact CB-CB 4.22Å; K194-V587 HydrophobicContact CB-CG2 4.3Å; K194-V587 HydrophobicContact CD-CB 4.2Å; K194-V587 HydrophobicContact CD-CG2 4.4Å; K194-V587 HydrophobicContact CG-CB 4.24Å; V198-V587 HydrophobicContact CG2-CG1 4.12Å; I237-V587 HydrophobicContact CD1-CG2 3.96Å; A577-V587 HydrophobicContact CB-CG2 3.78Å; V578-V587 WeakPolarHBondContact O-CG2 3.31Å; V587-I589 HydrophobicContact CG1-CG1 4.24Å
588	E	97.3	Very high	94.6	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.019	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.1	171.6	-72.4	-59.5	153.8	0	0	109.3	L427 C545 A577 V578 L580 F581	L427-E588 HydrophobicContact CD2-CB 4.28Å; L427-E588 HydrophobicContact CD2-CG 4.31Å; C545-E588 WeakPolarHBondContact CA-OE1 3.46Å; C545-E588 WeakPolarHBondContact CA-OE2 3.31Å; C545-E588 WeakPolarHBondContact CB-OE1 3.3Å; C545-E588 WeakPolarHBondContact CB-OE2 3.42Å; C545-E588 PolarHBondContact N-OE2 3.38Å; A577-E588 CarbonylContact C-O 3.54Å; A577-E588 VanDerWaalsContact CA-O 3.29Å; A577-E588 WeakPolarHBondContact CA-O 3.29Å; V578-E588 PolarHBondContact N-O 3.46Å; V578-E588 PolarHBondContact O-N 3.06Å; L580-E588 HydrophobicContact CB-CG 3.73Å; L580-E588 HydrophobicContact CD1-CG 4.44Å; L580-E588 HydrophobicContact CD2-CG 4.07Å; L580-E588 HydrophobicContact CG-CG 4.28Å; F581-E588 HydrophobicContact CE2-CG 4.35Å
589	I	97.8	Very high	92.6	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.9	177.3	-61.5	177.2	0	0	0	108.9	V198 I201 V543 A544 A547 V587 L591	V198-I589 HydrophobicContact CB-CD1 4.22Å; V198-I589 HydrophobicContact CG1-CD1 4.04Å; V198-I589 HydrophobicContact CG1-CG1 4.37Å; V198-I589 HydrophobicContact CG1-CG2 4.46Å; V198-I589 HydrophobicContact CG2-CD1 3.61Å; V198-I589 HydrophobicContact CG2-CG1 3.8Å; I201-I589 HydrophobicContact CD1-CD1 3.82Å; V543-I589 CarbonylContact C-O 3.56Å; V543-I589 WeakPolarHBondContact CA-O 3.45Å; A544-I589 PolarHBondContact N-O 3.03Å; A544-I589 PolarHBondContact O-N 3.23Å; A547-I589 HydrophobicContact CB-CD1 3.65Å; V587-I589 HydrophobicContact CG1-CG1 4.24Å; I589-L591 HydrophobicContact CG2-CD1 4.39Å; I589-L591 HydrophobicContact CG2-CG 4.1Å
590	L	98.2	Very high	90.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.5	172.6	-176	70.9	0	0	0	108.8	L427 A430 V431 W434 V541 Y542 V543 A575 M576	L427-L590 HydrophobicContact CD1-CB 4.32Å; A430-L590 HydrophobicContact CB-CD2 4.03Å; V431-L590 HydrophobicContact CG2-CD1 3.56Å; V431-L590 HydrophobicContact CG2-CD2 4.18Å; W434-L590 HydrophobicContact CD2-CD2 3.79Å; W434-L590 HydrophobicContact CE3-CD2 3.38Å; W434-L590 HydrophobicContact CE3-CG 3.65Å; W434-L590 HydrophobicContact CG-CD2 4.42Å; W434-L590 HydrophobicContact CH2-CD2 4.32Å; W434-L590 HydrophobicContact CZ3-CB 4.16Å; W434-L590 HydrophobicContact CZ3-CD2 3.69Å; W434-L590 HydrophobicContact CZ3-CG 3.66Å; V541-L590 HydrophobicContact CG1-CD1 3.35Å; V541-L590 HydrophobicContact CG1-CG 4.24Å; Y542-L590 WeakPolarHBondContact O-CA 3.41Å; V543-L590 HydrophobicContact CG2-CD1 3.71Å; A575-L590 CarbonylContact C-O 3.6Å; A575-L590 WeakPolarHBondContact CA-O 3.25Å; M576-L590 HydrophobicContact CG-CB 3.71Å; M576-L590 HydrophobicContact CG-CD2 4.01Å; M576-L590 HydrophobicContact CG-CG 4.36Å; M576-L590 PolarHBondContact N-O 3.04Å; M576-L590 PolarHBondContact O-N 2.96Å; M576-L590 HydrophobicContact SD-CB 4.49Å; M576-L590 HydrophobicContact SD-CD2 3.71Å
591	L	98.4	Very high	87.3	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.8	177.1	-78.3	162.5	0	0	0	110	L202 Y542 F554 A575 I589 F593	L202-L591 HydrophobicContact CD2-CD2 3.78Å; Y542-L591 PolarHBondContact N-O 3.39Å; Y542-L591 PolarHBondContact O-N 3.37Å; F554-L591 HydrophobicContact CD1-CD1 4.11Å; F554-L591 HydrophobicContact CD2-CD1 4.06Å; F554-L591 HydrophobicContact CE1-CD1 3.75Å; F554-L591 HydrophobicContact CE2-CD1 3.69Å; F554-L591 HydrophobicContact CG-CD1 4.27Å; F554-L591 HydrophobicContact CZ-CD1 3.53Å; A575-L591 HydrophobicContact CB-CD2 3.67Å; I589-L591 HydrophobicContact CG2-CD1 4.39Å; I589-L591 HydrophobicContact CG2-CG 4.1Å; L591-F593 HydrophobicContact CB-CD2 4.08Å; L591-F593 HydrophobicContact CB-CE2 3.5Å; L591-F593 HydrophobicContact CB-CZ 4.21Å; L591-F593 HydrophobicContact CD1-CE2 4.06Å; L591-F593 HydrophobicContact CD1-CZ 4.12Å; L591-F593 HydrophobicContact CG-CE2 4.31Å
592	L	98.4	Very high	84.2	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.9	167.6	-176.3	64.6	0	0	0	109.3	W434 R539 V541 P572 V573 R574	W434-L592 HydrophobicContact CE3-CB 4Å; W434-L592 HydrophobicContact CZ3-CB 4.37Å; R539-L592 HydrophobicContact CG-CD1 3.58Å; V541-L592 HydrophobicContact CG2-CD1 3.86Å; P572-L592 WeakPolarHBondContact CA-O 3.43Å; V573-L592 HydrophobicContact CG2-CB 3.73Å; V573-L592 HydrophobicContact CG2-CD2 3.45Å; V573-L592 VanDerWaalsContact CG2-CD2 3.45Å; V573-L592 HydrophobicContact CG2-CG 3.38Å; V573-L592 WeakPolarHBondContact CG2-O 3.22Å; V573-L592 PolarHBondContact N-O 3.15Å; R574-L592 HydrophobicContact CG-CB 3.59Å; R574-L592 HydrophobicContact CG-CD2 3.99Å; R574-L592 HydrophobicContact CG-CG 4.39Å; R574-L592 PolarHBondContact O-N 2.91Å
593	F	98.1	Very high	80.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135.2	172.4	-70.4	-87.8	0	0	0	110	L540 F554 L557 F570 R571 P572 L591	L540-F593 HydrophobicContact CB-CB 4.16Å; L540-F593 HydrophobicContact CD2-CB 4.47Å; L540-F593 HydrophobicContact CD2-CD2 4.47Å; L540-F593 PolarHBondContact N-O 2.9Å; L540-F593 PolarHBondContact O-N 3.4Å; F554-F593 HydrophobicContact CB-CZ 4.08Å; F554-F593 HydrophobicContact CD1-CE2 4.07Å; F554-F593 AromaticContact CD1-CZ 3.87Å; F554-F593 HydrophobicContact CD1-CZ 3.87Å; F554-F593 HydrophobicContact CG-CZ 4.13Å; L557-F593 HydrophobicContact CD1-CD2 4.47Å; L557-F593 HydrophobicContact CD1-CE2 4.4Å; F570-F593 HydrophobicContact CB-CB 4.09Å; F570-F593 HydrophobicContact CB-CD1 4.31Å; F570-F593 HydrophobicContact CD1-CB 4.07Å; F570-F593 HydrophobicContact CG-CB 4.42Å; R571-F593 WeakPolarHBondContact O-CA 3.48Å; P572-F593 HydrophobicContact CB-CD1 4.15Å; P572-F593 HydrophobicContact CB-CE1 3.85Å; P572-F593 HydrophobicContact CB-CZ 4.45Å; P572-F593 HydrophobicContact CG-CE1 4.33Å; L591-F593 HydrophobicContact CB-CD2 4.08Å; L591-F593 HydrophobicContact CB-CE2 3.5Å; L591-F593 HydrophobicContact CB-CZ 4.21Å; L591-F593 HydrophobicContact CD1-CE2 4.06Å; L591-F593 HydrophobicContact CD1-CZ 4.12Å; L591-F593 HydrophobicContact CG-CE2 4.31Å
594	E	96.4	Very high	80.1	Confident	53 Å²	53	59.8 Å²	59.8	25%	0.248	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.2	172.3	-67.1	-172.8	155.4	0	0	110.4	K538 R539 F570 R571 V573	K538-E594 CarbonylContact O-C 3.26Å; K538-E594 WeakPolarHBondContact O-CA 3.37Å; R539-E594 IonicContact CZ-OE1 2.68Å; R539-E594 IonicContact NE-OE1 3Å; R539-E594 PolarHBondContact NE-OE1 2.95Å; R539-E594 IonicContact NH2-OE1 3.21Å; R539-E594 PolarHBondContact NH2-OE1 3.23Å; F570-E594 CarbonylContact C-O 3.53Å; F570-E594 VanDerWaalsContact CA-O 3.29Å; F570-E594 WeakPolarHBondContact CA-O 3.49Å; R571-E594 PolarHBondContact N-O 2.78Å; R571-E594 PolarHBondContact O-N 2.8Å; V573-E594 HydrophobicContact CG1-CB 3.85Å; V573-E594 HydrophobicContact CG1-CG 3.96Å; V573-E594 HydrophobicContact CG2-CG 3.85Å
595	R	95.1	Very high	79.2	Confident	20 Å²	20	62.3 Å²	62.3	8%	0.075	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	136.1	178.1	-169.1	172.3	-63.9	-95.5	9	109.6	I531 R532 A534 L537 K538 A568 F570 D597	I531-R595 PolarHBondContact O-NH2 3.33Å; R532-R595 PolarHBondContact O-NH1 3.14Å; A534-R595 PolarHBondContact O-NH2 3.31Å; L537-R595 PolarHBondContact O-NE 3.38Å; L537-R595 PolarHBondContact O-NH2 2.93Å; K538-R595 HydrophobicContact CD-CB 4.36Å; K538-R595 PolarHBondContact O-N 3.07Å; A568-R595 HydrophobicContact CB-CG 4.06Å; A568-R595 PolarHBondContact O-NH1 3.37Å; F570-R595 HydrophobicContact CD1-CB 4.19Å; F570-R595 HydrophobicContact CE1-CB 4.03Å; F570-R595 VanDerWaalsContact CE2-NH2 3.31Å; F570-R595 HydrophobicContact CZ-CB 4.41Å; R595-D597 PolarHBondContact O-N 3.25Å
596	V	91.8	Very high	78.3	Confident	11 Å²	11	58.8 Å²	58.8	7%	0.067	30%	0.304	C	S	.	.			trans	-70.8	119.5	173.8	-178.9	0	0	0	0	108.5	P569 R571 Y598	P569-V596 HydrophobicContact CG-CB 4.29Å; P569-V596 HydrophobicContact CG-CG2 4.15Å; P569-V596 PolarHBondContact O-N 3.25Å; R571-V596 HydrophobicContact CB-CG2 4.12Å; R571-V596 HydrophobicContact CG-CG2 4.14Å; V596-Y598 HydrophobicContact CB-CE2 4.37Å; V596-Y598 HydrophobicContact CG1-CD1 4.04Å; V596-Y598 HydrophobicContact CG1-CD2 4.31Å; V596-Y598 HydrophobicContact CG1-CE1 3.71Å; V596-Y598 HydrophobicContact CG1-CE2 4.01Å; V596-Y598 HydrophobicContact CG1-CG 4.33Å
597	D	80.9	Confident	77.4	Confident	85 Å²	85	57.6 Å²	57.6	46%	0.455	30%	0.3	S	S	.	.			trans	-95.4	108.4	169.5	-169.3	-13.8	0	0	0	109.5	R595 N599 S600	R595-D597 PolarHBondContact O-N 3.25Å; D597-N599 VanDerWaalsContact C-N 3.28Å; D597-N599 WeakPolarHBondContact OD1-CB 3.32Å; D597-N599 PolarHBondContact OD1-N 2.85Å; D597-S600 PolarHBondContact O-OG 3Å
598	Y	65.6	Low	76.2	Confident	94 Å²	94	60.7 Å²	60.7	37%	0.369	32%	0.315	S	S	.	.	S	Bend	trans	-77.1	-13.6	179.1	-66.8	-73.4	0	0	0	113.2	A568 P569 V596	A568-Y598 HydrophobicContact CB-CE2 4.36Å; P569-Y598 HydrophobicContact CG-CE2 4.42Å; P569-Y598 VanDerWaalsContact CG-OH 3.3Å; P569-Y598 WeakPolarHBondContact CG-OH 3.49Å; V596-Y598 HydrophobicContact CB-CE2 4.37Å; V596-Y598 HydrophobicContact CG1-CD1 4.04Å; V596-Y598 HydrophobicContact CG1-CD2 4.31Å; V596-Y598 HydrophobicContact CG1-CE1 3.71Å; V596-Y598 HydrophobicContact CG1-CE2 4.01Å; V596-Y598 HydrophobicContact CG1-CG 4.33Å
599	N	55.6	Low	74.8	Confident	134 Å²	134	64.5 Å²	64.5	72%	0.717	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-80	-22.3	179.7	-64.6	-15	0	0	0	112.3	D597 Q601	D597-N599 VanDerWaalsContact C-N 3.28Å; D597-N599 WeakPolarHBondContact OD1-CB 3.32Å; D597-N599 PolarHBondContact OD1-N 2.85Å; N599-Q601 VanDerWaalsContact C-N 3.29Å; N599-Q601 PolarHBondContact O-N 3.38Å
600	S	45.8	Very low	73.2	Confident	70 Å²	70	68.8 Å²	68.8	49%	0.49	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-80.8	0.3	-179.8	61.1	0	0	0	0	115	D597	D597-S600 PolarHBondContact O-OG 3Å
601	Q	39.7	Very low	71.2	Confident	131 Å²	131	74.1 Å²	74.1	61%	0.612	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-104.9	6.8	179.3	-66.6	-174.3	5.1	0	0	113.8	N599	N599-Q601 VanDerWaalsContact C-N 3.29Å; N599-Q601 PolarHBondContact O-N 3.38Å
602	Q	31.9	Very low	69	Low	180 Å²	180	80.3 Å²	80.3	84%	0.841	42%	0.417	S	S	*	.			trans	-104	5.3	176.9	-81.1	-174.9	-8.5	0	0	114.2
603	T	28.2	Very low	66.3	Low	182 Å²	182	87.3 Å²	87.3	100%	1.117	45%	0.454	S	S	*	.			trans	-122.9	0	171.9	43.2	0	0	0	0	108.7

Retrieved 603 of 603 residues in 230.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).