A0A077Z0D7_TRITR Loading...

Eukaryotic translation initiation factor 3 subunit p66

AlphaFold DB , UniProt , Accession A0A077Z0D7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 631 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	40	Very low	49.3	Very low	248 Å²	248	149.2 Å²	149.2	100%	1.222	82%	0.821	S	S	*	*				0	90.1	0	-79.1	-177.8	170.1	0	0	109.8
2	S	37.8	Very low	51.6	Low	122 Å²	122	148.1 Å²	148.1	85%	0.853	81%	0.812	S	S	*	*			trans	-169.7	142.9	155	45.3	0	0	0	0	106.2
3	S	37.7	Very low	53.5	Low	111 Å²	111	148.2 Å²	148.2	78%	0.776	80%	0.799	S	S	*	*			trans	-85	127.7	-169.2	-156.7	0	0	0	0	111.2	K5	S3-K5 PolarHBondContact O-N 3.39Å
4	T	42.7	Very low	55.2	Low	133 Å²	133	142.9 Å²	142.9	82%	0.816	77%	0.77	S	S	*	*			trans	-56.2	132.9	145.1	39.6	0	0	0	0	107.8
5	K	42.2	Very low	56.2	Low	198 Å²	198	137.5 Å²	137.5	86%	0.861	75%	0.747	S	S	*	*			trans	-92.1	97.7	171.7	-75	-177.1	175.9	-179.6	0	107.6	S3 E7	S3-K5 PolarHBondContact O-N 3.39Å; K5-E7 PolarHBondContact O-N 3.41Å
6	G	43	Very low	57.2	Low	67 Å²	67	135.5 Å²	135.5	69%	0.691	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-62.2	129.5	165	0	0	0	0	0	109.1	Q8	G6-Q8 PolarHBondContact O-N 2.93Å
7	E	49.1	Very low	58.2	Low	195 Å²	195	132.6 Å²	132.6	91%	0.911	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-64.6	120.7	172.5	-66.7	-169.9	119	0	0	108.8	K5 L9	K5-E7 PolarHBondContact O-N 3.41Å; E7-L9 PolarHBondContact O-N 3.44Å
8	Q	57	Low	59.2	Low	184 Å²	184	135.6 Å²	135.6	86%	0.86	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-72.7	119.9	175.4	-69.5	-176.3	-11.1	0	0	108.4	G6	G6-Q8 PolarHBondContact O-N 2.93Å
9	L	58.9	Low	60	Low	160 Å²	160	134.9 Å²	134.9	84%	0.838	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-49.9	132.9	169.9	-74.2	164.9	0	0	0	109.3	E7	E7-L9 PolarHBondContact O-N 3.44Å
10	P	62.8	Low	60.9	Low	87 Å²	87	132.1 Å²	132.1	57%	0.565	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-58.9	143.7	-178.4	24.9	-34.2	0	0	0	110.2
11	Q	71.4	Confident	61.7	Low	136 Å²	136	132.7 Å²	132.7	64%	0.636	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-63.7	144.3	-178.7	-62.6	-168.2	2.9	0	0	109.7	K13 D14 C15	Q11-K13 PolarHBondContact O-N 3.07Å; Q11-D14 WeakPolarHBondContact O-CB 3.34Å; Q11-D14 PolarHBondContact O-N 3.16Å; Q11-C15 PolarHBondContact O-N 3.01Å
12	L	76.8	Confident	63.8	Low	136 Å²	136	123 Å²	123	71%	0.712	68%	0.678	S	S	*	*	H	α-helix	trans	-51.4	-32.6	-180	-169.7	73.8	0	0	0	112.5	D14 C15 L16	L12-D14 VanDerWaalsContact C-N 3.35Å; L12-D14 PolarHBondContact O-N 3.11Å; L12-C15 PolarHBondContact O-N 2.84Å; L12-L16 HydrophobicContact CD2-CD1 4.45Å; L12-L16 HydrophobicContact CG-CD1 4.16Å; L12-L16 WeakPolarHBondContact O-CB 3.16Å; L12-L16 WeakPolarHBondContact O-CG 3.23Å; L12-L16 PolarHBondContact O-N 3.05Å
13	K	76.8	Confident	66.1	Low	149 Å²	149	122.6 Å²	122.6	65%	0.648	67%	0.67	S	S	*	*	H	α-helix	trans	-54.4	-43.8	171.9	-179.7	-175.1	173.1	-170.1	0	113.5	Q11 L16 A17	Q11-K13 PolarHBondContact O-N 3.07Å; K13-L16 PolarHBondContact O-N 3.19Å; K13-A17 WeakPolarHBondContact O-CB 3.4Å; K13-A17 PolarHBondContact O-N 2.86Å
14	D	76.4	Confident	68.4	Low	74 Å²	74	125.9 Å²	125.9	40%	0.396	67%	0.673	S	S	.	*	H	α-helix	trans	-78.2	-26.6	-175.9	-51.7	-36.9	0	0	0	111.5	Q11 L12	Q11-D14 WeakPolarHBondContact O-CB 3.34Å; Q11-D14 PolarHBondContact O-N 3.16Å; L12-D14 VanDerWaalsContact C-N 3.35Å; L12-D14 PolarHBondContact O-N 3.11Å
15	C	70.9	Confident	70.3	Confident	62 Å²	62	121.1 Å²	121.1	42%	0.419	65%	0.65	S	S	.	*	H	α-helix	trans	-70.7	-45.8	167.8	-62.5	0	0	0	0	111.3	Q11 L12 A17 K18	Q11-C15 PolarHBondContact O-N 3.01Å; L12-C15 PolarHBondContact O-N 2.84Å; C15-A17 VanDerWaalsContact C-N 3.3Å; C15-A17 PolarHBondContact O-N 3.17Å; C15-K18 PolarHBondContact O-N 3.21Å; C15-K18 VanDerWaalsContact O-N 3.16Å
16	L	72.5	Confident	72.2	Confident	106 Å²	106	125 Å²	125	56%	0.555	66%	0.66	S	S	*	*	H	α-helix	trans	-61	-37.3	176.5	-77.9	163.5	0	0	0	112.4	L12 K13 K18 L19	L12-L16 HydrophobicContact CD2-CD1 4.45Å; L12-L16 HydrophobicContact CG-CD1 4.16Å; L12-L16 WeakPolarHBondContact O-CB 3.16Å; L12-L16 WeakPolarHBondContact O-CG 3.23Å; L12-L16 PolarHBondContact O-N 3.05Å; K13-L16 PolarHBondContact O-N 3.19Å; L16-K18 PolarHBondContact O-N 2.94Å; L16-K18 VanDerWaalsContact O-N 3.12Å; L16-L19 HydrophobicContact CD2-CD1 4.24Å; L16-L19 PolarHBondContact O-N 2.98Å
17	A	73.3	Confident	74.1	Confident	87 Å²	87	123.6 Å²	123.6	72%	0.719	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-13.5	177.3	0	0	0	0	0	114.7	K13 C15	K13-A17 WeakPolarHBondContact O-CB 3.4Å; K13-A17 PolarHBondContact O-N 2.86Å; C15-A17 VanDerWaalsContact C-N 3.3Å; C15-A17 PolarHBondContact O-N 3.17Å
18	K	75.7	Confident	75.7	Confident	186 Å²	186	119.8 Å²	119.8	81%	0.809	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-3.3	178.9	-67.6	177.5	-179.6	176.9	0	114	C15 L16 S20	C15-K18 PolarHBondContact O-N 3.21Å; C15-K18 VanDerWaalsContact O-N 3.16Å; L16-K18 PolarHBondContact O-N 2.94Å; L16-K18 VanDerWaalsContact O-N 3.12Å; K18-S20 PolarHBondContact O-N 3.36Å
19	L	75.9	Confident	76.8	Confident	122 Å²	122	114.8 Å²	114.8	64%	0.639	62%	0.62	S	S	*	*			trans	-80.7	115	179.5	-85.5	162.1	0	0	0	111.5	L16 I21	L16-L19 HydrophobicContact CD2-CD1 4.24Å; L16-L19 PolarHBondContact O-N 2.98Å; L19-I21 PolarHBondContact O-N 3.26Å
20	S	77.9	Confident	77.9	Confident	78 Å²	78	111 Å²	111	55%	0.545	61%	0.607	S	S	.	*			trans	-71.2	110.8	171.6	58.4	0	0	0	0	110.5	K18	K18-S20 PolarHBondContact O-N 3.36Å
21	I	78.1	Confident	78.8	Confident	145 Å²	145	111.4 Å²	111.4	74%	0.744	61%	0.608	S	S	*	*			trans	-76.5	131.9	174.4	-56.1	176.9	0	0	0	109.1	L19 T29	L19-I21 PolarHBondContact O-N 3.26Å; I21-T29 PolarHBondContact O-OG1 3.4Å
22	N	82.9	Confident	79.4	Confident	46 Å²	46	109 Å²	109	25%	0.246	60%	0.603	C	S	.	*			trans	-117.6	122	172	-177.5	-12.2	0	0	0	109	H24 G25 G27 T29	N22-H24 PolarHBondContact OD1-N 3.21Å; N22-G25 VanDerWaalsContact CB-O 3.28Å; N22-G25 WeakPolarHBondContact CB-O 3.46Å; N22-G25 PolarHBondContact ND2-O 3.16Å; N22-G25 PolarHBondContact OD1-N 3.12Å; N22-G27 PolarHBondContact ND2-O 3.44Å; N22-T29 HydrophobicContact CB-CG2 3.96Å
23	T	85.6	Confident	79.7	Confident	113 Å²	113	110.2 Å²	110.2	69%	0.693	61%	0.606	S	S	*	*	S	Bend	trans	-87.4	-9	-177	49.6	0	0	0	0	114
24	H	86.2	Confident	80.1	Confident	179 Å²	179	106.9 Å²	106.9	83%	0.829	61%	0.605	S	S	*	*	S	Bend	trans	-126.8	6.7	-171.9	-59.6	-60	0	0	0	113.9	N22	N22-H24 PolarHBondContact OD1-N 3.21Å
25	G	82.7	Confident	80.6	Confident	33 Å²	33	109.6 Å²	109.6	34%	0.34	61%	0.614	S	S	.	*			trans	172.9	-177.6	174.4	0	0	0	0	0	112.6	N22	N22-G25 VanDerWaalsContact CB-O 3.28Å; N22-G25 WeakPolarHBondContact CB-O 3.46Å; N22-G25 PolarHBondContact ND2-O 3.16Å; N22-G25 PolarHBondContact OD1-N 3.12Å
26	W	82.6	Confident	81.2	Confident	279 Å²	279	115 Å²	115	100%	1.057	63%	0.625	S	S	*	*	S	Bend	trans	-100.1	19.4	-178.9	-63.8	-54.6	0	0	0	114.1
27	G	83.8	Confident	81.9	Confident	38 Å²	38	117 Å²	117	39%	0.392	64%	0.637	S	S	.	*	S	Bend	trans	-101.8	170.1	178.6	0	0	0	0	0	113.9	N22 T29	N22-G27 PolarHBondContact ND2-O 3.44Å; G27-T29 PolarHBondContact O-N 2.98Å
28	P	81.3	Confident	82.6	Confident	116 Å²	116	117.7 Å²	117.7	75%	0.753	63%	0.628	S	S	*	*			trans	-64.4	130.7	175.3	27.5	-34.4	0	0	0	111.6
29	T	80.3	Confident	83.2	Confident	78 Å²	78	112.4 Å²	112.4	48%	0.479	61%	0.613	S	S	.	*	S	Bend	trans	-80.8	-18	-178.5	2.3	0	0	0	0	114.1	I21 N22 G27	I21-T29 PolarHBondContact O-OG1 3.4Å; N22-T29 HydrophobicContact CB-CG2 3.96Å; G27-T29 PolarHBondContact O-N 2.98Å
30	S	81.5	Confident	83.6	Confident	82 Å²	82	114.1 Å²	114.1	57%	0.573	61%	0.612	S	S	*	*	S	Bend	trans	-151.1	152.8	-176	57.2	0	0	0	0	112.3
31	V	82.9	Confident	83.9	Confident	95 Å²	95	113.6 Å²	113.6	58%	0.576	60%	0.601	S	S	*	*			trans	-59.1	135.7	167.6	-178.1	0	0	0	0	109.4	E33	V31-E33 PolarHBondContact O-N 3.41Å
32	P	83.4	Confident	84.2	Confident	84 Å²	84	111.4 Å²	111.4	55%	0.545	59%	0.587	S	S	.	*			trans	-56.6	135.8	176.8	-25.1	34.2	0	0	0	112.2	A34 F35 R36	P32-A34 PolarHBondContact O-N 2.79Å; P32-A34 VanDerWaalsContact O-N 3.12Å; P32-F35 HydrophobicContact CB-CD2 4.33Å; P32-F35 PolarHBondContact O-N 3.46Å; P32-R36 PolarHBondContact O-N 3.17Å
33	E	83.3	Confident	84.2	Confident	163 Å²	163	117.3 Å²	117.3	76%	0.762	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-55.5	-36.8	-172.6	-61.8	-169.7	128.3	0	0	113.2	V31 F35 R36	V31-E33 PolarHBondContact O-N 3.41Å; E33-F35 PolarHBondContact O-N 3.46Å; E33-F35 VanDerWaalsContact O-N 3.1Å; E33-R36 PolarHBondContact O-N 3.28Å; E33-R36 VanDerWaalsContact O-N 3.17Å
34	A	84.6	Confident	83.9	Confident	78 Å²	78	116.3 Å²	116.3	65%	0.645	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-56.7	-24.9	177.8	0	0	0	0	0	114.6	P32	P32-A34 PolarHBondContact O-N 2.79Å; P32-A34 VanDerWaalsContact O-N 3.12Å
35	F	86.7	Confident	83.8	Confident	131 Å²	131	117.6 Å²	117.6	58%	0.575	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-113.2	-4.4	-179.8	-57.7	-63.3	0	0	0	113.5	P32 E33 N37 L38	P32-F35 HydrophobicContact CB-CD2 4.33Å; P32-F35 PolarHBondContact O-N 3.46Å; E33-F35 PolarHBondContact O-N 3.46Å; E33-F35 VanDerWaalsContact O-N 3.1Å; F35-N37 PolarHBondContact O-N 3.1Å; F35-N37 VanDerWaalsContact O-N 3.16Å; F35-L38 PolarHBondContact O-N 2.98Å
36	R	84.3	Confident	83.6	Confident	175 Å²	175	122.4 Å²	122.4	66%	0.66	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-27.9	-172.7	-169.6	176.3	-173.7	172.7	3.4	114.1	P32 E33	P32-R36 PolarHBondContact O-N 3.17Å; E33-R36 PolarHBondContact O-N 3.28Å; E33-R36 VanDerWaalsContact O-N 3.17Å
37	N	87.6	Confident	83.2	Confident	149 Å²	149	111.9 Å²	111.9	80%	0.797	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	12	-176.4	-60.3	-11.5	0	0	0	113	F35	F35-N37 PolarHBondContact O-N 3.1Å; F35-N37 VanDerWaalsContact O-N 3.16Å
38	L	87.5	Confident	82.6	Confident	101 Å²	101	116.9 Å²	116.9	53%	0.529	58%	0.581	S	S	.	*	S	Bend	trans	-122.8	126.4	-176	-70.4	170.1	0	0	0	110.3	F35 Y40	F35-L38 PolarHBondContact O-N 2.98Å; L38-Y40 PolarHBondContact O-N 3.26Å
39	P	87.9	Confident	82.4	Confident	76 Å²	76	119.6 Å²	119.6	49%	0.494	59%	0.587	S	S	.	*			trans	-52.6	125.9	166.8	-27	34.1	0	0	0	111.4	Q41 A79 Y80	P39-Q41 PolarHBondContact O-N 3.12Å; P39-A79 HydrophobicContact CB-CB 3.91Å; P39-Y80 HydrophobicContact CB-CE1 4.42Å; P39-Y80 HydrophobicContact CB-CE2 4.29Å; P39-Y80 VanDerWaalsContact CD-OH 3.31Å; P39-Y80 WeakPolarHBondContact CD-OH 3.45Å; P39-Y80 HydrophobicContact CG-CE1 4.39Å; P39-Y80 VanDerWaalsContact O-CE2 3.24Å; P39-Y80 WeakPolarHBondContact O-CE2 3.19Å; P39-Y80 PolarHBondContact O-OH 3.14Å
40	Y	85.2	Confident	82.1	Confident	157 Å²	157	119 Å²	119	62%	0.616	59%	0.586	S	S	*	*			trans	-79.4	120	-177.1	-179.9	-100.6	0	0	0	111.6	L38 E42 N77	L38-Y40 PolarHBondContact O-N 3.26Å; Y40-E42 HydrophobicContact CE1-CG 3.8Å; Y40-N77 PolarHBondContact O-ND2 2.84Å
41	Q	84.7	Confident	81.7	Confident	67 Å²	67	121.2 Å²	121.2	31%	0.313	59%	0.586	S	S	.	*			trans	-132.8	131.5	170.6	-171.2	167.9	-36.6	0	0	109.3	P39 N77 A79 Y80	P39-Q41 PolarHBondContact O-N 3.12Å; Q41-N77 HydrophobicContact CG-CB 4.39Å; Q41-N77 WeakPolarHBondContact CG-O 3.47Å; Q41-N77 PolarHBondContact OE1-O 2.79Å; Q41-A79 HydrophobicContact CB-CB 4.29Å; Q41-A79 VanDerWaalsContact OE1-N 3.1Å; Q41-Y80 HydrophobicContact CB-CD2 4Å; Q41-Y80 HydrophobicContact CB-CE2 4.04Å; Q41-Y80 VanDerWaalsContact OE1-N 3.14Å
42	E	82.9	Confident	81.5	Confident	99 Å²	99	123 Å²	123	46%	0.463	60%	0.596	S	S	.	*			trans	-68.6	141.7	176.4	-68.7	171.9	-164.2	0	0	110.9	Y40	Y40-E42 HydrophobicContact CE1-CG 3.8Å
43	F	82.8	Confident	81.3	Confident	171 Å²	171	123.4 Å²	123.4	75%	0.75	61%	0.607	S	S	*	*			trans	-147.7	147	175.4	70.6	-77.7	0	0	0	110.3	R45	F43-R45 HydrophobicContact CD2-CG 4.26Å; F43-R45 HydrophobicContact CE2-CG 3.71Å
44	D	79.7	Confident	81	Confident	92 Å²	92	119.4 Å²	119.4	49%	0.492	59%	0.59	S	S	.	*			trans	-101.2	128.4	169.4	-173.7	-1.7	0	0	0	109.7	F46 E47	D44-F46 PolarHBondContact O-N 2.71Å; D44-F46 VanDerWaalsContact OD1-CD2 3.23Å; D44-F46 WeakPolarHBondContact OD1-CD2 3.49Å; D44-F46 PolarHBondContact OD1-N 3.44Å; D44-E47 HydrophobicContact CB-CB 4.34Å; D44-E47 PolarHBondContact O-N 3.29Å
45	R	83.9	Confident	80.8	Confident	205 Å²	205	127.4 Å²	127.4	77%	0.774	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-17.1	176	-67.9	-173.5	-66.9	176.6	-0.3	112.8	F43	F43-R45 HydrophobicContact CD2-CG 4.26Å; F43-R45 HydrophobicContact CE2-CG 3.71Å
46	F	79	Confident	80.4	Confident	135 Å²	135	126.3 Å²	126.3	59%	0.592	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	0.4	178.7	-53.2	-68.3	0	0	0	113.3	D44	D44-F46 PolarHBondContact O-N 2.71Å; D44-F46 VanDerWaalsContact OD1-CD2 3.23Å; D44-F46 WeakPolarHBondContact OD1-CD2 3.49Å; D44-F46 PolarHBondContact OD1-N 3.44Å
47	E	74	Confident	79.4	Confident	57 Å²	57	122.2 Å²	122.2	27%	0.266	60%	0.598	S	S	.	*	S	Bend	trans	-71.8	153.7	179.2	-139	-158.2	131.7	0	0	112.8	D44 I49 S71	D44-E47 HydrophobicContact CB-CB 4.34Å; D44-E47 PolarHBondContact O-N 3.29Å; E47-I49 WeakPolarHBondContact O-CG1 3.31Å; E47-I49 PolarHBondContact O-N 3.21Å; E47-S71 VanDerWaalsContact CD-CA 3.5Å; E47-S71 WeakPolarHBondContact OE1-CA 3.23Å; E47-S71 PolarHBondContact OE1-N 3.33Å; E47-S71 WeakPolarHBondContact OE2-CA 3.15Å; E47-S71 WeakPolarHBondContact OE2-CB 3.37Å; E47-S71 PolarHBondContact OE2-OG 3.23Å
48	R	72.4	Confident	78	Confident	144 Å²	144	118.7 Å²	118.7	54%	0.543	59%	0.585	S	S	.	*			trans	-79.3	95.2	-172.3	-175.4	-179	172.8	151.6	5.6	111.9	S50 T69	R48-S50 PolarHBondContact NE-OG 3.32Å; R48-S50 PolarHBondContact NH2-OG 2.82Å; R48-S50 PolarHBondContact O-N 3.21Å; R48-T69 HydrophobicContact CB-CG2 4.17Å; R48-T69 HydrophobicContact CG-CG2 4.11Å
49	I	76.5	Confident	76.6	Confident	172 Å²	172	120.8 Å²	120.8	88%	0.882	60%	0.602	S	S	*	*			trans	-62.3	16.5	-178.3	-16.6	176.5	0	0	0	116.3	E47	E47-I49 WeakPolarHBondContact O-CG1 3.31Å; E47-I49 PolarHBondContact O-N 3.21Å
50	S	73.8	Confident	75.1	Confident	67 Å²	67	122.9 Å²	122.9	47%	0.469	61%	0.613	S	S	.	*			trans	-114.7	63.8	-169.7	81.2	0	0	0	0	113.4	R48	R48-S50 PolarHBondContact NE-OG 3.32Å; R48-S50 PolarHBondContact NH2-OG 2.82Å; R48-S50 PolarHBondContact O-N 3.21Å
51	K	73	Confident	73.3	Confident	128 Å²	128	119 Å²	119	56%	0.557	61%	0.608	S	S	*	*			trans	-115.6	127.3	176.7	-173.2	164.3	178.3	157.3	0	110.7	N66	K51-N66 WeakPolarHBondContact CE-OD1 3.24Å; K51-N66 PolarHBondContact NZ-OD1 3.36Å
52	V	78.5	Confident	71.4	Confident	131 Å²	131	127.3 Å²	127.3	79%	0.794	64%	0.637	S	S	*	*			trans	-95.1	135.6	176.4	-178.9	0	0	0	0	108.7
53	A	79.4	Confident	69.9	Low	93 Å²	93	125.8 Å²	125.8	77%	0.769	63%	0.631	S	S	*	*			trans	-91.8	133	166.4	0	0	0	0	0	109.2
54	D	76.4	Confident	68.6	Low	79 Å²	79	124.7 Å²	124.7	42%	0.422	63%	0.629	S	S	.	*			trans	-144.7	116.9	-178.7	177.5	-5.3	0	0	0	108.8	T56 M57	D54-T56 VanDerWaalsContact C-N 3.34Å; D54-T56 WeakPolarHBondContact OD1-CA 3.37Å; D54-T56 WeakPolarHBondContact OD1-CB 3.28Å; D54-T56 PolarHBondContact OD1-N 2.91Å; D54-T56 PolarHBondContact OD1-OG1 3.47Å; D54-M57 HydrophobicContact CB-CB 3.92Å; D54-M57 HydrophobicContact CB-CG 4.25Å; D54-M57 PolarHBondContact OD1-N 3.35Å; D54-M57 WeakPolarHBondContact OD2-CG 3.42Å
55	W	80.6	Confident	67.5	Low	247 Å²	247	128 Å²	128	94%	0.936	63%	0.634	S	S	*	*	S	Bend	trans	-81.8	-10.4	-178.8	58.1	81.5	0	0	0	113.6
56	T	79.5	Confident	66.2	Low	108 Å²	108	122.8 Å²	122.8	66%	0.663	62%	0.622	S	S	*	*	S	Bend	trans	-91.8	-11.2	176.3	71.6	0	0	0	0	112.7	D54 S58	D54-T56 VanDerWaalsContact C-N 3.34Å; D54-T56 WeakPolarHBondContact OD1-CA 3.37Å; D54-T56 WeakPolarHBondContact OD1-CB 3.28Å; D54-T56 PolarHBondContact OD1-N 2.91Å; D54-T56 PolarHBondContact OD1-OG1 3.47Å; T56-S58 PolarHBondContact O-N 3.26Å
57	M	62.7	Low	65.1	Low	89 Å²	89	126.6 Å²	126.6	44%	0.438	63%	0.632	S	S	.	*			trans	-78	107.7	-166	-129.5	-56.1	-57.8	0	0	112.2	D54 V59 C61	D54-M57 HydrophobicContact CB-CB 3.92Å; D54-M57 HydrophobicContact CB-CG 4.25Å; D54-M57 PolarHBondContact OD1-N 3.35Å; D54-M57 WeakPolarHBondContact OD2-CG 3.42Å; M57-V59 PolarHBondContact O-N 3.37Å; M57-C61 HydrophobicContact CE-CB 3.59Å; M57-C61 HydrophobicContact SD-CB 3.97Å
58	S	57.9	Low	64.3	Low	75 Å²	75	129.4 Å²	129.4	52%	0.524	65%	0.649	S	S	.	*			trans	-62.5	128.3	179.4	61.3	0	0	0	0	112.3	T56 T60 C61	T56-S58 PolarHBondContact O-N 3.26Å; S58-T60 PolarHBondContact O-N 3.22Å; S58-T60 PolarHBondContact OG-OG1 3.38Å; S58-C61 PolarHBondContact O-N 3.23Å; S58-C61 VanDerWaalsContact O-N 3.14Å
59	V	58.6	Low	63.7	Low	145 Å²	145	123.4 Å²	123.4	88%	0.879	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	-15	-173.6	-159	0	0	0	0	114.8	M57	M57-V59 PolarHBondContact O-N 3.37Å
60	T	54.9	Low	62.6	Low	120 Å²	120	117.3 Å²	117.3	74%	0.736	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-17.5	178.8	45.2	0	0	0	0	115	S58 R62	S58-T60 PolarHBondContact O-N 3.22Å; S58-T60 PolarHBondContact OG-OG1 3.38Å; T60-R62 VanDerWaalsContact C-N 3.33Å; T60-R62 PolarHBondContact O-N 3.24Å
61	C	47.9	Very low	61.7	Low	76 Å²	76	117.1 Å²	117.1	51%	0.514	61%	0.606	S	S	.	*			trans	-76.2	85.2	173	-158	0	0	0	0	110.8	M57 S58 D63	M57-C61 HydrophobicContact CE-CB 3.59Å; M57-C61 HydrophobicContact SD-CB 3.97Å; S58-C61 PolarHBondContact O-N 3.23Å; S58-C61 VanDerWaalsContact O-N 3.14Å; C61-D63 PolarHBondContact O-N 2.8Å
62	R	45.8	Very low	60.7	Low	241 Å²	241	114.9 Å²	114.9	91%	0.909	61%	0.607	S	S	*	*			trans	-72.5	66.3	170.3	-71.4	-177.8	172.3	173.4	-1.7	111	T60 E64	T60-R62 VanDerWaalsContact C-N 3.33Å; T60-R62 PolarHBondContact O-N 3.24Å; R62-E64 PolarHBondContact O-N 3.43Å
63	D	50.1	Low	59.4	Low	66 Å²	66	120.3 Å²	120.3	35%	0.353	61%	0.613	S	S	.	*			trans	-68.5	122.9	171.3	-168	-14.1	0	0	0	109.6	C61 R65 N66	C61-D63 PolarHBondContact O-N 2.8Å; D63-R65 PolarHBondContact O-N 3.33Å; D63-R65 VanDerWaalsContact O-N 3.09Å; D63-R65 WeakPolarHBondContact OD1-CB 3.33Å; D63-R65 VanDerWaalsContact OD1-CG 3.27Å; D63-R65 WeakPolarHBondContact OD1-CG 3.38Å; D63-R65 PolarHBondContact OD1-N 2.83Å; D63-R65 IonicContact OD1-NH1 2.77Å; D63-R65 WeakPolarHBondContact OD2-CD 3.42Å; D63-R65 IonicContact OD2-CZ 3.62Å; D63-R65 IonicContact OD2-NE 2.84Å; D63-R65 IonicContact OD2-NH1 3.57Å; D63-R65 PolarHBondContact OD2-NH1 3.31Å; D63-N66 PolarHBondContact O-N 3.24Å
64	E	56	Low	58.2	Low	148 Å²	148	122.6 Å²	122.6	69%	0.692	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-60	-21.7	-179.7	-65.4	-164.1	114	0	0	112.4	R62 N66 R67	R62-E64 PolarHBondContact O-N 3.43Å; E64-N66 PolarHBondContact O-N 3.48Å; E64-N66 VanDerWaalsContact O-N 3.1Å; E64-R67 WeakPolarHBondContact O-CB 3.44Å; E64-R67 PolarHBondContact O-N 3.41Å
65	R	57.7	Low	57.2	Low	161 Å²	161	120.9 Å²	120.9	61%	0.608	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-50.9	-31.8	170.4	-67.6	-179.4	-174.3	123.4	-9.5	113.5	D63 R67 L68 T69	D63-R65 PolarHBondContact O-N 3.33Å; D63-R65 VanDerWaalsContact O-N 3.09Å; D63-R65 WeakPolarHBondContact OD1-CB 3.33Å; D63-R65 VanDerWaalsContact OD1-CG 3.27Å; D63-R65 WeakPolarHBondContact OD1-CG 3.38Å; D63-R65 PolarHBondContact OD1-N 2.83Å; D63-R65 IonicContact OD1-NH1 2.77Å; D63-R65 WeakPolarHBondContact OD2-CD 3.42Å; D63-R65 IonicContact OD2-CZ 3.62Å; D63-R65 IonicContact OD2-NE 2.84Å; D63-R65 IonicContact OD2-NH1 3.57Å; D63-R65 PolarHBondContact OD2-NH1 3.31Å; R65-R67 PolarHBondContact O-N 2.68Å; R65-L68 PolarHBondContact O-N 2.69Å; R65-T69 PolarHBondContact O-N 3.17Å; R65-T69 PolarHBondContact O-OG1 2.89Å; R65-T69 VanDerWaalsContact O-OG1 3.09Å
66	N	55.9	Low	56.1	Low	97 Å²	97	115.7 Å²	115.7	52%	0.519	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-75.3	-10.9	-178.7	-137.7	-9	0	0	0	113.1	K51 D63 E64	K51-N66 WeakPolarHBondContact CE-OD1 3.24Å; K51-N66 PolarHBondContact NZ-OD1 3.36Å; D63-N66 PolarHBondContact O-N 3.24Å; E64-N66 PolarHBondContact O-N 3.48Å; E64-N66 VanDerWaalsContact O-N 3.1Å
67	R	56.6	Low	55.3	Low	214 Å²	214	114.7 Å²	114.7	81%	0.808	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-87.8	-16.1	166.5	-74.5	-179.6	165.2	179.5	-5.8	113.4	E64 R65	E64-R67 WeakPolarHBondContact O-CB 3.44Å; E64-R67 PolarHBondContact O-N 3.41Å; R65-R67 PolarHBondContact O-N 2.68Å
68	L	56.1	Low	55.8	Low	116 Å²	116	116.2 Å²	116.2	61%	0.607	59%	0.59	S	S	*	*	S	Bend	trans	-99.1	1.6	-178.6	-66.1	164	0	0	0	112.9	R65	R65-L68 PolarHBondContact O-N 2.69Å
69	T	59.3	Low	56.9	Low	19 Å²	19	115 Å²	115	12%	0.117	59%	0.585	C	S	.	*	S	Bend	trans	-139.1	26.4	178.5	56.1	0	0	0	0	111.2	R48 R65	R48-T69 HydrophobicContact CB-CG2 4.17Å; R48-T69 HydrophobicContact CG-CG2 4.11Å; R65-T69 PolarHBondContact O-N 3.17Å; R65-T69 PolarHBondContact O-OG1 2.89Å; R65-T69 VanDerWaalsContact O-OG1 3.09Å
70	G	54.3	Low	58	Low	43 Å²	43	114.6 Å²	114.6	44%	0.443	57%	0.568	S	S	.	*	S	Bend	trans	-107.6	119.2	164.7	0	0	0	0	0	107.1
71	S	54	Low	59.4	Low	64 Å²	64	112.5 Å²	112.5	45%	0.448	56%	0.555	S	S	.	*			trans	-49.9	152.2	-177.8	-55.4	0	0	0	0	112.5	E47 R73	E47-S71 VanDerWaalsContact CD-CA 3.5Å; E47-S71 WeakPolarHBondContact OE1-CA 3.23Å; E47-S71 PolarHBondContact OE1-N 3.33Å; E47-S71 WeakPolarHBondContact OE2-CA 3.15Å; E47-S71 WeakPolarHBondContact OE2-CB 3.37Å; E47-S71 PolarHBondContact OE2-OG 3.23Å; S71-R73 PolarHBondContact O-N 2.65Å
72	S	51.9	Low	61.2	Low	80 Å²	80	118.1 Å²	118.1	56%	0.559	57%	0.567	S	S	*	*			trans	-47.3	133.3	174.4	-171.5	0	0	0	0	109.1	Q74 A75	S72-Q74 PolarHBondContact O-N 2.62Å; S72-Q74 PolarHBondContact OG-OE1 3.03Å; S72-A75 PolarHBondContact O-N 3.32Å; S72-A75 VanDerWaalsContact O-N 3.17Å
73	R	52.7	Low	62.9	Low	245 Å²	245	113.2 Å²	113.2	93%	0.925	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	18.5	-162.1	-68.9	169.8	130.1	-170.7	-7.2	115.1	S71	S71-R73 PolarHBondContact O-N 2.65Å
74	Q	54.4	Low	64.2	Low	142 Å²	142	115.2 Å²	115.2	66%	0.664	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-24.7	-178.3	-66.9	153.7	-64.8	0	0	111.5	S72 I76	S72-Q74 PolarHBondContact O-N 2.62Å; S72-Q74 PolarHBondContact OG-OE1 3.03Å; Q74-I76 VanDerWaalsContact C-N 3.27Å; Q74-I76 PolarHBondContact O-N 3.25Å
75	A	54.2	Low	65	Low	43 Å²	43	117.6 Å²	117.6	36%	0.355	57%	0.573	S	S	.	*			trans	-72.8	76.8	175.8	0	0	0	0	0	111.6	S72	S72-A75 PolarHBondContact O-N 3.32Å; S72-A75 VanDerWaalsContact O-N 3.17Å
76	I	57.1	Low	65.6	Low	137 Å²	137	116.5 Å²	116.5	70%	0.703	58%	0.575	S	S	*	*			trans	-85.5	-19.6	-175.3	-69.6	172.3	0	0	0	112.4	Q74 Q78	Q74-I76 VanDerWaalsContact C-N 3.27Å; Q74-I76 PolarHBondContact O-N 3.25Å; I76-Q78 PolarHBondContact O-N 3.09Å
77	N	62.7	Low	65.6	Low	87 Å²	87	118.9 Å²	118.9	47%	0.465	58%	0.583	S	S	.	*			trans	-68.4	115.7	-179.5	-76.9	2.3	0	0	0	112.1	Y40 Q41 A79	Y40-N77 PolarHBondContact O-ND2 2.84Å; Q41-N77 HydrophobicContact CG-CB 4.39Å; Q41-N77 WeakPolarHBondContact CG-O 3.47Å; Q41-N77 PolarHBondContact OE1-O 2.79Å; N77-A79 VanDerWaalsContact C-N 3.31Å; N77-A79 PolarHBondContact O-N 3.48Å
78	Q	73.8	Confident	66	Low	122 Å²	122	113.4 Å²	113.4	57%	0.57	57%	0.569	S	S	*	*			trans	-93	38.9	175.8	-64.2	-170.2	16	0	0	112.6	I76 Y80 V81	I76-Q78 PolarHBondContact O-N 3.09Å; Q78-Y80 PolarHBondContact O-N 2.87Å; Q78-V81 HydrophobicContact CB-CB 4.02Å; Q78-V81 HydrophobicContact CB-CG2 3.66Å; Q78-V81 HydrophobicContact CG-CG2 4.09Å; Q78-V81 PolarHBondContact O-N 2.8Å
79	A	80.4	Confident	66.7	Low	49 Å²	49	113.6 Å²	113.6	41%	0.405	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.6	-26.2	-169.8	0	0	0	0	0	114	P39 Q41 N77	P39-A79 HydrophobicContact CB-CB 3.91Å; Q41-A79 HydrophobicContact CB-CB 4.29Å; Q41-A79 VanDerWaalsContact OE1-N 3.1Å; N77-A79 VanDerWaalsContact C-N 3.31Å; N77-A79 PolarHBondContact O-N 3.48Å
80	Y	83.3	Confident	67.5	Low	137 Å²	137	119 Å²	119	54%	0.537	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.8	38.4	177.8	-58.5	-79.9	0	0	0	112.8	P39 Q41 Q78	P39-Y80 HydrophobicContact CB-CE1 4.42Å; P39-Y80 HydrophobicContact CB-CE2 4.29Å; P39-Y80 VanDerWaalsContact CD-OH 3.31Å; P39-Y80 WeakPolarHBondContact CD-OH 3.45Å; P39-Y80 HydrophobicContact CG-CE1 4.39Å; P39-Y80 VanDerWaalsContact O-CE2 3.24Å; P39-Y80 WeakPolarHBondContact O-CE2 3.19Å; P39-Y80 PolarHBondContact O-OH 3.14Å; Q41-Y80 HydrophobicContact CB-CD2 4Å; Q41-Y80 HydrophobicContact CB-CE2 4.04Å; Q41-Y80 VanDerWaalsContact OE1-N 3.14Å; Q78-Y80 PolarHBondContact O-N 2.87Å
81	V	84.1	Confident	68.7	Low	76 Å²	76	123.8 Å²	123.8	46%	0.461	62%	0.616	S	S	.	*			trans	-107.1	126.7	178.6	179.3	0	0	0	0	111	Q78 Q83	Q78-V81 HydrophobicContact CB-CB 4.02Å; Q78-V81 HydrophobicContact CB-CG2 3.66Å; Q78-V81 HydrophobicContact CG-CG2 4.09Å; Q78-V81 PolarHBondContact O-N 2.8Å; V81-Q83 HydrophobicContact CG1-CG 4.19Å
82	Y	84.9	Confident	69.9	Low	194 Å²	194	129.4 Å²	129.4	76%	0.761	64%	0.636	S	S	*	*			trans	-90.4	135.7	166.5	179.1	-106.9	0	0	0	109.9	Q84	Y82-Q84 HydrophobicContact CE1-CB 3.93Å
83	Q	81	Confident	71.3	Confident	137 Å²	137	132.5 Å²	132.5	64%	0.64	65%	0.651	S	S	*	*			trans	-121.6	128.2	172.4	-60.6	-175.9	7.5	0	0	107.7	V81	V81-Q83 HydrophobicContact CG1-CG 4.19Å
84	Q	77.6	Confident	72.6	Confident	108 Å²	108	126.4 Å²	126.4	51%	0.505	64%	0.641	S	S	.	*			trans	-94.4	119.7	178.7	-172.3	171.9	-19.2	0	0	108.4	Y82 D88	Y82-Q84 HydrophobicContact CE1-CB 3.93Å; Q84-D88 PolarHBondContact NE2-OD1 3.41Å; Q84-D88 PolarHBondContact NE2-OD2 2.87Å
85	E	72.4	Confident	73.1	Confident	199 Å²	199	124.4 Å²	124.4	93%	0.93	63%	0.634	S	S	*	*			trans	-84	-22.3	-173.3	-61.8	-172.9	145.4	0	0	113.5
86	E	70	Confident	74	Confident	138 Å²	138	129.6 Å²	129.6	65%	0.645	66%	0.656	S	S	*	*	S	Bend	trans	-93.7	132.2	-179.3	-63.7	-168.1	136	0	0	112.3	D88	E86-D88 PolarHBondContact O-N 2.77Å; E86-D88 VanDerWaalsContact O-N 3.11Å
87	E	56.9	Low	74.6	Confident	147 Å²	147	132.7 Å²	132.7	69%	0.687	66%	0.659	S	S	*	*			trans	-76.8	91.4	172.1	-77.4	-168.7	148.8	0	0	111	S89 L90	E87-S89 PolarHBondContact O-N 2.67Å; E87-L90 HydrophobicContact CB-CD1 3.9Å; E87-L90 PolarHBondContact O-N 3.31Å
88	D	65.8	Low	74.3	Confident	98 Å²	98	140.4 Å²	140.4	52%	0.524	68%	0.682	S	S	.	*	G	3₁₀ helix	trans	-47.1	-25.3	175.1	-76.6	-14.3	0	0	0	114	Q84 E86 L90 F91	Q84-D88 PolarHBondContact NE2-OD1 3.41Å; Q84-D88 PolarHBondContact NE2-OD2 2.87Å; E86-D88 PolarHBondContact O-N 2.77Å; E86-D88 VanDerWaalsContact O-N 3.11Å; D88-L90 PolarHBondContact O-N 3.19Å; D88-L90 VanDerWaalsContact O-N 3.17Å; D88-F91 PolarHBondContact O-N 3.4Å
89	S	69.4	Low	73.4	Confident	120 Å²	120	142.5 Å²	142.5	84%	0.839	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-62.2	-17	179.1	-63.5	0	0	0	0	114.9	E87	E87-S89 PolarHBondContact O-N 2.67Å
90	L	76	Confident	72.3	Confident	132 Å²	132	145.8 Å²	145.8	69%	0.691	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-81.7	-17	177.3	-82	138.9	0	0	0	113.8	E87 D88	E87-L90 HydrophobicContact CB-CD1 3.9Å; E87-L90 PolarHBondContact O-N 3.31Å; D88-L90 PolarHBondContact O-N 3.19Å; D88-L90 VanDerWaalsContact O-N 3.17Å
91	F	79.9	Confident	70.8	Confident	144 Å²	144	148.7 Å²	148.7	63%	0.632	73%	0.726	S	S	*	*			trans	-87.4	114	-174.8	-65.5	-86.4	0	0	0	112.4	D88	D88-F91 PolarHBondContact O-N 3.4Å
92	Q	79.2	Confident	69.5	Low	182 Å²	182	151 Å²	151	85%	0.85	74%	0.742	S	S	*	*			trans	-93.6	130.9	169.9	-67.4	-171.1	0.3	0	0	111.4	V94	Q92-V94 PolarHBondContact O-N 3.37Å
93	V	81.5	Confident	67.6	Low	145 Å²	145	148.3 Å²	148.3	88%	0.879	75%	0.746	S	S	*	*			trans	-75.1	117.3	173.6	179.6	0	0	0	0	109.9	D95	V93-D95 PolarHBondContact O-N 2.67Å
94	V	79.6	Confident	65.8	Low	118 Å²	118	150 Å²	150	72%	0.715	76%	0.759	S	S	*	*			trans	-82.8	106.6	177.3	-177.4	0	0	0	0	110.1	Q92	Q92-V94 PolarHBondContact O-N 3.37Å
95	D	65.3	Low	64.1	Low	99 Å²	99	150.2 Å²	150.2	53%	0.529	77%	0.772	S	S	.	*			trans	-89.1	120.4	170.9	-168.6	-1.6	0	0	0	111.3	V93 R97	V93-D95 PolarHBondContact O-N 2.67Å; D95-R97 VanDerWaalsContact C-N 3.28Å; D95-R97 PolarHBondContact O-N 2.96Å; D95-R97 VanDerWaalsContact OD1-CB 3.23Å; D95-R97 WeakPolarHBondContact OD1-CB 3.05Å; D95-R97 WeakPolarHBondContact OD1-CD 3.09Å; D95-R97 WeakPolarHBondContact OD1-CG 3.25Å; D95-R97 PolarHBondContact OD1-N 3.34Å
96	N	74.2	Confident	62.6	Low	153 Å²	153	152.3 Å²	152.3	82%	0.818	77%	0.772	S	S	*	*			trans	-84.1	7.1	177.3	-75.4	-32.9	0	0	0	113.6
97	R	69.6	Low	61.3	Low	202 Å²	202	152.6 Å²	152.6	76%	0.762	78%	0.782	S	S	*	*	S	Bend	trans	-89.6	134	-175.6	-66.6	166.4	175.3	176.8	-0.8	112.8	D95 M99	D95-R97 VanDerWaalsContact C-N 3.28Å; D95-R97 PolarHBondContact O-N 2.96Å; D95-R97 VanDerWaalsContact OD1-CB 3.23Å; D95-R97 WeakPolarHBondContact OD1-CB 3.05Å; D95-R97 WeakPolarHBondContact OD1-CD 3.09Å; D95-R97 WeakPolarHBondContact OD1-CG 3.25Å; D95-R97 PolarHBondContact OD1-N 3.34Å; R97-M99 PolarHBondContact O-N 3.1Å; R97-M99 VanDerWaalsContact O-N 3.07Å
98	R	55.8	Low	60.4	Low	248 Å²	248	148.5 Å²	148.5	94%	0.936	78%	0.779	S	S	*	*			trans	-70.3	102.1	174	-71.4	-175.4	175.9	-172.4	-0.8	110.8	P100	R98-P100 WeakPolarHBondContact O-CD 3.42Å
99	M	53.9	Low	59.3	Low	167 Å²	167	150.2 Å²	150.2	82%	0.823	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-57.7	122	176.9	-74.3	-85.4	-93.4	0	0	113.1	R97	R97-M99 PolarHBondContact O-N 3.1Å; R97-M99 VanDerWaalsContact O-N 3.07Å
100	P	58	Low	58	Low	117 Å²	117	151.1 Å²	151.1	76%	0.76	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-67.6	145.9	166.2	-18	32.6	0	0	0	111.4	R98	R98-P100 WeakPolarHBondContact O-CD 3.42Å
101	K	52.7	Low	56.5	Low	199 Å²	199	154 Å²	154	87%	0.865	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-73	136.8	176.5	-67.9	-179.3	179	178.1	0	110.9
102	P	55.8	Low	54.8	Low	123 Å²	123	154.8 Å²	154.8	80%	0.799	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-68.4	141	177.1	28.3	-34.5	0	0	0	111.8
103	V	45.7	Very low	53.3	Low	139 Å²	139	151.9 Å²	151.9	84%	0.842	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-83.9	129.7	179.3	178.4	0	0	0	0	110.2	S105	V103-S105 PolarHBondContact O-N 3.06Å
104	L	43	Very low	51.5	Low	173 Å²	173	151.1 Å²	151.1	91%	0.906	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-67.1	119.8	168.6	-102.8	74.3	0	0	0	110.2
105	S	42.5	Very low	49.8	Very low	112 Å²	112	155.2 Å²	155.2	78%	0.783	82%	0.816	S	S	*	*			trans	-113.9	144.1	163.4	-170.3	0	0	0	0	110.2	V103	V103-S105 PolarHBondContact O-N 3.06Å
106	R	39.8	Very low	48.7	Very low	243 Å²	243	153.6 Å²	153.6	92%	0.917	82%	0.822	S	S	*	*			trans	-132.8	87.2	-155.9	-165.9	-172	-158.9	179.7	8.1	111.8
107	V	43	Very low	47	Very low	143 Å²	143	158.4 Å²	158.4	87%	0.867	83%	0.829	S	S	*	*			trans	-137.1	130.3	178.8	-172.7	0	0	0	0	109
108	G	37.8	Very low	45.8	Very low	61 Å²	61	153.3 Å²	153.3	63%	0.629	83%	0.83	S	S	*	*			cis	-173.1	115.2	-10.3	0	0	0	0	0	110.1
109	T	43.5	Very low	45.2	Very low	135 Å²	135	146.7 Å²	146.7	83%	0.828	82%	0.822	S	S	*	*			trans	-99.5	102.9	-172.8	54.7	0	0	0	0	112.3	K111	T109-K111 PolarHBondContact O-N 3.02Å; T109-K111 VanDerWaalsContact O-N 3.11Å
110	T	41.7	Very low	44.8	Very low	139 Å²	139	145.3 Å²	145.3	85%	0.853	82%	0.823	S	S	*	*			trans	-75.1	93.2	176.4	38.8	0	0	0	0	112.3
111	K	43.2	Very low	44.2	Very low	192 Å²	192	146.4 Å²	146.4	84%	0.835	82%	0.822	S	S	*	*			trans	-85.5	119.4	162.8	-72.3	-176	176.4	-178.4	0	109.6	T109	T109-K111 PolarHBondContact O-N 3.02Å; T109-K111 VanDerWaalsContact O-N 3.11Å
112	L	45.9	Very low	43.9	Very low	160 Å²	160	148.5 Å²	148.5	84%	0.838	83%	0.825	S	S	*	*			trans	-107.2	97.2	172	-74.4	171.3	0	0	0	111.3
113	T	46.3	Very low	43	Very low	121 Å²	121	148.9 Å²	148.9	74%	0.742	83%	0.827	S	S	*	*			trans	13.6	120.5	147.3	52	0	0	0	0	120.1
114	P	44.1	Very low	42.7	Very low	130 Å²	130	145.7 Å²	145.7	84%	0.844	82%	0.822	S	S	*	*			trans	-110.1	104.6	152.2	34	-22.7	0	0	0	111.2
115	Q	44.4	Very low	42.7	Very low	204 Å²	204	146.4 Å²	146.4	95%	0.953	82%	0.821	S	S	*	*			trans	-159.9	138	172.8	-139.5	-179.5	31.9	0	0	113.2
116	G	41	Very low	42.6	Very low	65 Å²	65	149 Å²	149	67%	0.67	83%	0.825	S	S	*	*			trans	124.3	101.6	159.4	0	0	0	0	0	118
117	R	40.4	Very low	42.8	Very low	254 Å²	254	141.5 Å²	141.5	96%	0.958	81%	0.809	S	S	*	*				54.8	140.8	127.5	-71	173.7	176.2	162.4	-2.6	120.1
118	A	42.6	Very low	43.1	Very low	95 Å²	95	141.6 Å²	141.6	79%	0.785	81%	0.805	S	S	*	*			cis	-157.3	179.5	-0.4	0	0	0	0	0	112.2
119	S	43.2	Very low	43.8	Very low	109 Å²	109	147.3 Å²	147.3	76%	0.762	81%	0.812	S	S	*	*			trans	-51	155	-175.8	-45.6	0	0	0	0	117.6
120	T	47.1	Very low	44.3	Very low	137 Å²	137	146.4 Å²	146.4	84%	0.84	81%	0.807	S	S	*	*				-168.6	145.6	107.7	-68.8	0	0	0	0	110
121	D	44.6	Very low	45.1	Very low	140 Å²	140	143.5 Å²	143.5	75%	0.749	79%	0.792	S	S	*	*			trans	-71.6	147.2	-173.4	-56	-93.2	0	0	0	115.8
122	R	46.3	Very low	45.7	Very low	243 Å²	243	142.8 Å²	142.8	92%	0.917	79%	0.789	S	S	*	*			trans	-173.6	125.1	130.7	-105.1	166.6	-174.7	-154.5	-0.2	112.1
123	P	36.4	Very low	46.4	Very low	132 Å²	132	138.4 Å²	138.4	86%	0.857	77%	0.771	S	S	*	*			trans	-87.8	141.5	172.4	34	-32.6	0	0	0	112
124	G	39.5	Very low	47.1	Very low	71 Å²	71	142.2 Å²	142.2	73%	0.732	77%	0.772	S	S	*	*			trans	166.5	135	169.3	0	0	0	0	0	114.8
125	Q	43.5	Very low	48	Very low	188 Å²	188	142 Å²	142	88%	0.879	76%	0.76	S	S	*	*			trans	51.2	98.5	164.4	-62.3	176.7	-8.4	0	0	116
126	I	41.3	Very low	49.2	Very low	168 Å²	168	140.1 Å²	140.1	86%	0.862	75%	0.749	S	S	*	*				44.1	93.8	67.1	-46.5	176.1	0	0	0	112.1
127	S	44	Very low	50.5	Low	84 Å²	84	141.3 Å²	141.3	59%	0.587	74%	0.74	S	S	*	*			trans	173.2	130.4	137.6	-173.4	0	0	0	0	113.7	K129	S127-K129 PolarHBondContact O-N 3.43Å
128	N	49	Very low	52	Low	146 Å²	146	137.3 Å²	137.3	78%	0.781	73%	0.725	S	S	*	*	S	Bend	trans	53.3	16.3	144.7	-59.7	-6.2	0	0	0	122.7
129	K	51	Low	53.5	Low	181 Å²	181	137.7 Å²	137.7	79%	0.787	71%	0.71	S	S	*	*			trans	-92.7	-9.1	176.5	-74.7	-179.4	179.1	172.2	0	116.7	S127 S131	S127-K129 PolarHBondContact O-N 3.43Å; K129-S131 PolarHBondContact O-N 3.09Å
130	T	54.9	Low	55.1	Low	116 Å²	116	136 Å²	136	71%	0.712	70%	0.698	S	S	*	*	H	α-helix	trans	-73.1	-25.6	-171.1	47.5	0	0	0	0	115.3
131	S	58	Low	56.4	Low	78 Å²	78	136 Å²	136	55%	0.545	69%	0.689	S	S	.	*	H	α-helix	trans	-71.6	-52.7	177.9	52	0	0	0	0	112.4	K129 S133 R134 E135	K129-S131 PolarHBondContact O-N 3.09Å; S131-S133 PolarHBondContact O-N 2.87Å; S131-R134 PolarHBondContact O-N 2.92Å; S131-R134 VanDerWaalsContact O-N 3.13Å; S131-E135 PolarHBondContact O-N 3.11Å; S131-E135 VanDerWaalsContact O-N 3.1Å
132	K	57.3	Low	57.8	Low	177 Å²	177	134.4 Å²	134.4	77%	0.77	68%	0.68	S	S	*	*	H	α-helix	trans	-63.3	-26	-178.7	-74.8	-174	174.5	-179.6	0	113.7	K136	K132-K136 PolarHBondContact O-N 3.42Å
133	S	60.2	Low	59.3	Low	67 Å²	67	130.2 Å²	130.2	47%	0.469	66%	0.664	S	S	.	*	H	α-helix	trans	-70.8	-47	172.4	-157.1	0	0	0	0	111.6	S131 E135 K136 D137	S131-S133 PolarHBondContact O-N 2.87Å; S133-E135 VanDerWaalsContact C-N 3.29Å; S133-E135 PolarHBondContact O-N 3.17Å; S133-K136 PolarHBondContact O-N 2.73Å; S133-K136 VanDerWaalsContact O-N 3.1Å; S133-D137 PolarHBondContact O-N 3.33Å
134	R	61.3	Low	61.1	Low	201 Å²	201	129.7 Å²	129.7	76%	0.758	65%	0.653	S	S	*	*	H	α-helix	trans	-59.1	-38.9	177.2	-79.7	-179.4	163.8	179	-4.8	112.5	S131 D137 R138	S131-R134 PolarHBondContact O-N 2.92Å; S131-R134 VanDerWaalsContact O-N 3.13Å; R134-D137 PolarHBondContact O-N 3.42Å; R134-R138 WeakPolarHBondContact O-CB 3.46Å; R134-R138 PolarHBondContact O-N 3.28Å
135	E	61.3	Low	62.7	Low	125 Å²	125	131.4 Å²	131.4	58%	0.584	65%	0.645	S	S	*	*	H	α-helix	trans	-62.5	-42.9	175.8	-150.2	62.6	-119.7	0	0	111.8	S131 S133 R138 H139	S131-E135 PolarHBondContact O-N 3.11Å; S131-E135 VanDerWaalsContact O-N 3.1Å; S133-E135 VanDerWaalsContact C-N 3.29Å; S133-E135 PolarHBondContact O-N 3.17Å; E135-R138 PolarHBondContact O-N 3.26Å; E135-H139 WeakPolarHBondContact O-CB 3.35Å; E135-H139 PolarHBondContact O-N 3.41Å
136	K	70.7	Confident	64	Low	166 Å²	166	128.4 Å²	128.4	72%	0.722	63%	0.631	S	S	*	*	H	α-helix	trans	-67.5	-40.7	179	-161	179.1	-174.7	-175.8	0	111.9	K132 S133 H139 S140	K132-K136 PolarHBondContact O-N 3.42Å; S133-K136 PolarHBondContact O-N 2.73Å; S133-K136 VanDerWaalsContact O-N 3.1Å; K136-H139 PolarHBondContact O-N 3.39Å; K136-S140 WeakPolarHBondContact O-CB 3.27Å; K136-S140 PolarHBondContact O-N 2.81Å
137	D	69	Low	65.6	Low	90 Å²	90	127.1 Å²	127.1	48%	0.481	62%	0.619	S	S	.	*	H	α-helix	trans	-65.1	-43.7	174.5	-72.7	-37	0	0	0	111.8	S133 R134 H139 S140 Q141	S133-D137 PolarHBondContact O-N 3.33Å; R134-D137 PolarHBondContact O-N 3.42Å; D137-H139 VanDerWaalsContact C-N 3.32Å; D137-H139 PolarHBondContact O-N 3.48Å; D137-S140 WeakPolarHBondContact O-CB 3.49Å; D137-S140 PolarHBondContact O-N 2.89Å; D137-S140 VanDerWaalsContact O-N 3.1Å; D137-Q141 WeakPolarHBondContact O-CG 3.37Å; D137-Q141 PolarHBondContact O-N 3.04Å
138	R	71.8	Confident	66.7	Low	170 Å²	170	129 Å²	129	64%	0.642	62%	0.618	S	S	*	*	H	α-helix	trans	-60.8	-41.6	176.9	-160.6	178.9	-161.2	-179.7	5.1	111.7	R134 E135 L142	R134-R138 WeakPolarHBondContact O-CB 3.46Å; R134-R138 PolarHBondContact O-N 3.28Å; E135-R138 PolarHBondContact O-N 3.26Å; R138-L142 PolarHBondContact O-N 3.31Å
139	H	73.7	Confident	67.2	Low	103 Å²	103	128.9 Å²	128.9	48%	0.477	61%	0.611	S	S	.	*	H	α-helix	trans	-70.4	-30.5	175.4	-157.3	86.3	0	0	0	112.6	E135 K136 D137 R143	E135-H139 WeakPolarHBondContact O-CB 3.35Å; E135-H139 PolarHBondContact O-N 3.41Å; K136-H139 PolarHBondContact O-N 3.39Å; D137-H139 VanDerWaalsContact C-N 3.32Å; D137-H139 PolarHBondContact O-N 3.48Å; H139-R143 PolarHBondContact CD2-NE 3.05Å; H139-R143 PolarHBondContact NE2-NE 3.18Å; H139-R143 PolarHBondContact NE2-NH2 3.21Å; H139-R143 WeakPolarHBondContact O-CG 3.12Å; H139-R143 PolarHBondContact O-N 3.35Å; H139-R143 VanDerWaalsContact O-N 3.17Å
140	S	76.2	Confident	67.6	Low	74 Å²	74	125.8 Å²	125.8	52%	0.517	60%	0.6	S	S	.	*	H	α-helix	trans	-70.2	-44.3	173.1	-161.3	0	0	0	0	112	K136 D137 L142 R143 L144	K136-S140 WeakPolarHBondContact O-CB 3.27Å; K136-S140 PolarHBondContact O-N 2.81Å; D137-S140 WeakPolarHBondContact O-CB 3.49Å; D137-S140 PolarHBondContact O-N 2.89Å; D137-S140 VanDerWaalsContact O-N 3.1Å; S140-L142 PolarHBondContact O-N 2.68Å; S140-R143 PolarHBondContact O-N 2.82Å; S140-L144 PolarHBondContact O-N 3.16Å
141	Q	74.6	Confident	67.7	Low	137 Å²	137	124.5 Å²	124.5	64%	0.64	59%	0.588	S	S	*	*	H	α-helix	trans	-61.1	-41.6	173.9	-72.2	178.4	1.9	0	0	111.8	D137 R143 L144 L145	D137-Q141 WeakPolarHBondContact O-CG 3.37Å; D137-Q141 PolarHBondContact O-N 3.04Å; Q141-R143 PolarHBondContact O-N 3.44Å; Q141-L144 PolarHBondContact O-N 3.33Å; Q141-L145 WeakPolarHBondContact O-CB 3.33Å; Q141-L145 PolarHBondContact O-N 2.77Å
142	L	74.7	Confident	67.4	Low	106 Å²	106	130.7 Å²	130.7	56%	0.555	60%	0.599	S	S	*	*	H	α-helix	trans	-58.6	-44.5	172.7	-88.4	161.7	0	0	0	112.4	R138 S140 L144 L145 Q146	R138-L142 PolarHBondContact O-N 3.31Å; S140-L142 PolarHBondContact O-N 2.68Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L144 PolarHBondContact O-N 3.14Å; L142-L145 PolarHBondContact O-N 3.07Å; L142-Q146 VanDerWaalsContact O-CB 3.28Å; L142-Q146 WeakPolarHBondContact O-CB 3.39Å; L142-Q146 PolarHBondContact O-N 2.71Å
143	R	76	Confident	67.2	Low	154 Å²	154	127.6 Å²	127.6	58%	0.581	59%	0.588	S	S	*	*	H	α-helix	trans	-66.2	-34.4	175.1	-71.6	179.7	-173.2	-154.9	1.6	112.6	H139 S140 Q141 K147	H139-R143 PolarHBondContact CD2-NE 3.05Å; H139-R143 PolarHBondContact NE2-NE 3.18Å; H139-R143 PolarHBondContact NE2-NH2 3.21Å; H139-R143 WeakPolarHBondContact O-CG 3.12Å; H139-R143 PolarHBondContact O-N 3.35Å; H139-R143 VanDerWaalsContact O-N 3.17Å; S140-R143 PolarHBondContact O-N 2.82Å; Q141-R143 PolarHBondContact O-N 3.44Å; R143-K147 WeakPolarHBondContact O-CB 3.44Å; R143-K147 WeakPolarHBondContact O-CG 3.44Å; R143-K147 PolarHBondContact O-N 2.74Å
144	L	75.9	Confident	66.7	Low	121 Å²	121	133.5 Å²	133.5	63%	0.634	60%	0.6	S	S	*	*	H	α-helix	trans	-67.2	-46.4	175.8	-164.7	71.9	0	0	0	111	S140 Q141 L142 Q146 K147 Q148	S140-L144 PolarHBondContact O-N 3.16Å; Q141-L144 PolarHBondContact O-N 3.33Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L144 PolarHBondContact O-N 3.14Å; L144-Q146 PolarHBondContact O-N 3.31Å; L144-K147 PolarHBondContact O-N 3.4Å; L144-Q148 WeakPolarHBondContact O-CB 3.38Å; L144-Q148 PolarHBondContact O-N 2.82Å
145	L	72.4	Confident	65.9	Low	107 Å²	107	132.7 Å²	132.7	56%	0.56	60%	0.598	S	S	*	*	H	α-helix	trans	-61.8	-43.2	176.4	-159	79.3	0	0	0	111.4	Q141 L142 Q148 F149	Q141-L145 WeakPolarHBondContact O-CB 3.33Å; Q141-L145 PolarHBondContact O-N 2.77Å; L142-L145 PolarHBondContact O-N 3.07Å; L145-Q148 PolarHBondContact O-N 2.94Å; L145-F149 PolarHBondContact O-N 3.36Å
146	Q	71.7	Confident	65	Low	126 Å²	126	128.5 Å²	128.5	59%	0.589	59%	0.589	S	S	*	*	H	α-helix	trans	-64.3	-41.2	176.9	-169.6	176	65.1	0	0	112	L142 L144 F149 Q150	L142-Q146 VanDerWaalsContact O-CB 3.28Å; L142-Q146 WeakPolarHBondContact O-CB 3.39Å; L142-Q146 PolarHBondContact O-N 2.71Å; L144-Q146 PolarHBondContact O-N 3.31Å; Q146-F149 PolarHBondContact O-N 3.33Å; Q146-Q150 WeakPolarHBondContact O-CG 3.34Å; Q146-Q150 PolarHBondContact O-N 3.04Å
147	K	74	Confident	63.8	Low	140 Å²	140	125.4 Å²	125.4	61%	0.609	58%	0.58	S	S	*	*	H	α-helix	trans	-63.5	-39.4	170.5	-80.2	-173.6	174.2	-172.2	0	112.3	R143 L144 F149 Q150 L151	R143-K147 WeakPolarHBondContact O-CB 3.44Å; R143-K147 WeakPolarHBondContact O-CG 3.44Å; R143-K147 PolarHBondContact O-N 2.74Å; L144-K147 PolarHBondContact O-N 3.4Å; K147-F149 VanDerWaalsContact C-N 3.32Å; K147-F149 PolarHBondContact O-N 2.84Å; K147-Q150 PolarHBondContact O-N 2.56Å; K147-L151 WeakPolarHBondContact O-CB 3.42Å; K147-L151 WeakPolarHBondContact O-CG 3.47Å; K147-L151 PolarHBondContact O-N 2.85Å
148	Q	66.3	Low	62.5	Low	123 Å²	123	128 Å²	128	58%	0.575	59%	0.594	S	S	*	*	H	α-helix	trans	-67.1	-34.1	178	-161.4	174.5	17.3	0	0	111.8	L144 L145 L151 R152	L144-Q148 WeakPolarHBondContact O-CB 3.38Å; L144-Q148 PolarHBondContact O-N 2.82Å; L145-Q148 PolarHBondContact O-N 2.94Å; Q148-L151 PolarHBondContact O-N 3.14Å; Q148-R152 PolarHBondContact O-N 2.81Å
149	F	61	Low	61	Low	144 Å²	144	131 Å²	131	63%	0.632	61%	0.605	S	S	*	*	H	α-helix	trans	-66.8	-45	171.8	-134.9	-91.2	0	0	0	111.9	L145 Q146 K147 L151 R152 Q153	L145-F149 PolarHBondContact O-N 3.36Å; Q146-F149 PolarHBondContact O-N 3.33Å; K147-F149 VanDerWaalsContact C-N 3.32Å; K147-F149 PolarHBondContact O-N 2.84Å; F149-L151 VanDerWaalsContact C-N 3.3Å; F149-L151 PolarHBondContact O-N 3.44Å; F149-R152 PolarHBondContact O-N 2.9Å; F149-Q153 WeakPolarHBondContact O-CG 3.47Å; F149-Q153 PolarHBondContact O-N 2.79Å
150	Q	59	Low	59.4	Low	116 Å²	116	130.3 Å²	130.3	54%	0.542	61%	0.612	S	S	.	*	H	α-helix	trans	-64.1	-32.4	174.1	-71.5	175.7	-2.3	0	0	112.8	Q146 K147 R154	Q146-Q150 WeakPolarHBondContact O-CG 3.34Å; Q146-Q150 PolarHBondContact O-N 3.04Å; K147-Q150 PolarHBondContact O-N 2.56Å; Q150-R154 PolarHBondContact O-N 2.7Å; Q150-R154 VanDerWaalsContact O-N 3.09Å
151	L	56.4	Low	57.6	Low	90 Å²	90	130.4 Å²	130.4	47%	0.471	62%	0.617	S	S	.	*	H	α-helix	trans	-71.6	-41.2	172.9	-76.5	163.2	0	0	0	111.9	K147 Q148 F149 Q153 R154 Y155	K147-L151 WeakPolarHBondContact O-CB 3.42Å; K147-L151 WeakPolarHBondContact O-CG 3.47Å; K147-L151 PolarHBondContact O-N 2.85Å; Q148-L151 PolarHBondContact O-N 3.14Å; F149-L151 VanDerWaalsContact C-N 3.3Å; F149-L151 PolarHBondContact O-N 3.44Å; L151-Q153 VanDerWaalsContact C-N 3.31Å; L151-Q153 PolarHBondContact O-N 2.8Å; L151-R154 PolarHBondContact O-N 3.14Å; L151-Y155 HydrophobicContact CD2-CE2 4.36Å; L151-Y155 VanDerWaalsContact O-CD2 3.32Å; L151-Y155 WeakPolarHBondContact O-CD2 3.3Å; L151-Y155 PolarHBondContact O-N 3.39Å
152	R	52.6	Low	56	Low	207 Å²	207	129.6 Å²	129.6	78%	0.781	62%	0.617	S	S	*	*	H	α-helix	trans	-59.3	-40.8	171.4	-91.2	-168	168.7	-153.9	-2.4	112.2	Q148 F149 Y155 G156	Q148-R152 PolarHBondContact O-N 2.81Å; F149-R152 PolarHBondContact O-N 2.9Å; R152-Y155 PolarHBondContact O-N 2.68Å; R152-G156 PolarHBondContact O-N 2.84Å
153	Q	52.6	Low	54.5	Low	112 Å²	112	133.1 Å²	133.1	52%	0.523	63%	0.63	S	S	.	*	H	α-helix	trans	-58.4	-47.6	172.4	-74	-87.5	-36.1	0	0	111.8	F149 L151 Y155 G156 N157	F149-Q153 WeakPolarHBondContact O-CG 3.47Å; F149-Q153 PolarHBondContact O-N 2.79Å; L151-Q153 VanDerWaalsContact C-N 3.31Å; L151-Q153 PolarHBondContact O-N 2.8Å; Q153-Y155 PolarHBondContact O-N 2.82Å; Q153-G156 PolarHBondContact O-N 2.82Å; Q153-N157 PolarHBondContact O-N 2.74Å; Q153-N157 VanDerWaalsContact O-N 3.15Å; Q153-N157 PolarHBondContact O-OD1 2.78Å
154	R	49.7	Very low	53.6	Low	191 Å²	191	129.5 Å²	129.5	72%	0.721	63%	0.625	S	S	*	*	H	α-helix	trans	-64.3	-34.1	177.9	-74	-171.8	-178.5	-144.8	0.8	114.3	Q150 L151	Q150-R154 PolarHBondContact O-N 2.7Å; Q150-R154 VanDerWaalsContact O-N 3.09Å; L151-R154 PolarHBondContact O-N 3.14Å
155	Y	43.8	Very low	53	Low	184 Å²	184	128.5 Å²	128.5	72%	0.722	62%	0.616	S	S	*	*	H	α-helix	trans	-86.2	-16.3	178.5	-76.2	-70.2	0	0	0	114.3	L151 R152 Q153	L151-Y155 HydrophobicContact CD2-CE2 4.36Å; L151-Y155 VanDerWaalsContact O-CD2 3.32Å; L151-Y155 WeakPolarHBondContact O-CD2 3.3Å; L151-Y155 PolarHBondContact O-N 3.39Å; R152-Y155 PolarHBondContact O-N 2.68Å; Q153-Y155 PolarHBondContact O-N 2.82Å
156	G	42.8	Very low	52.9	Low	38 Å²	38	126.9 Å²	126.9	39%	0.392	62%	0.618	S	S	.	*	H	α-helix	trans	-76.6	-55.4	168.9	0	0	0	0	0	112.4	R152 Q153 N158 R159 S160	R152-G156 PolarHBondContact O-N 2.84Å; Q153-G156 PolarHBondContact O-N 2.82Å; G156-N158 PolarHBondContact O-N 2.65Å; G156-N158 VanDerWaalsContact O-N 3.11Å; G156-R159 PolarHBondContact O-N 3.05Å; G156-S160 PolarHBondContact O-N 2.84Å
157	N	45.1	Very low	53.1	Low	100 Å²	100	124.1 Å²	124.1	54%	0.535	60%	0.602	S	S	.	*	H	α-helix	trans	-66.1	-20	-169.3	-68.4	24.4	0	0	0	114.3	Q153 A161	Q153-N157 PolarHBondContact O-N 2.74Å; Q153-N157 VanDerWaalsContact O-N 3.15Å; Q153-N157 PolarHBondContact O-OD1 2.78Å; N157-A161 PolarHBondContact O-N 3.13Å; N157-A161 VanDerWaalsContact O-N 3.11Å
158	N	43.2	Very low	53.3	Low	144 Å²	144	124 Å²	124	77%	0.77	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-1.6	-178.8	-76.4	16.1	0	0	0	114.8	G156	G156-N158 PolarHBondContact O-N 2.65Å; G156-N158 VanDerWaalsContact O-N 3.11Å
159	R	40.4	Very low	54	Low	235 Å²	235	120.5 Å²	120.5	89%	0.887	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.4	-17	170	-77.3	-174.6	172.4	-178.5	-2.9	113.7	G156	G156-R159 PolarHBondContact O-N 3.05Å
160	S	38.4	Very low	54.9	Low	87 Å²	87	114 Å²	114	61%	0.608	56%	0.564	S	S	*	*			trans	-129.6	48.5	170.5	-56.2	0	0	0	0	110.8	G156 L162	G156-S160 PolarHBondContact O-N 2.84Å; S160-L162 PolarHBondContact O-N 3.11Å
161	A	38.4	Very low	56.1	Low	76 Å²	76	109.3 Å²	109.3	63%	0.628	54%	0.543	S	S	*	.			trans	-63.6	98.5	147.7	0	0	0	0	0	105.3	N157 Q163	N157-A161 PolarHBondContact O-N 3.13Å; N157-A161 VanDerWaalsContact O-N 3.11Å; A161-Q163 PolarHBondContact O-N 2.84Å
162	L	41.3	Very low	57.5	Low	121 Å²	121	113.1 Å²	113.1	63%	0.634	56%	0.558	S	S	*	*			trans	-53.8	118.7	171.1	-83.8	77.7	0	0	0	105.8	S160 T164	S160-L162 PolarHBondContact O-N 3.11Å; L162-T164 VanDerWaalsContact C-N 3.28Å; L162-T164 PolarHBondContact O-N 2.98Å
163	Q	43.6	Very low	59.2	Low	180 Å²	180	106.4 Å²	106.4	84%	0.841	54%	0.54	S	S	*	.			trans	-65.6	98.3	172.8	-69.9	-179	-8.8	0	0	106	A161 K165	A161-Q163 PolarHBondContact O-N 2.84Å; Q163-K165 PolarHBondContact O-N 2.84Å
164	T	57	Low	60.9	Low	77 Å²	77	105.8 Å²	105.8	47%	0.472	54%	0.536	S	S	.	.			trans	-48.2	112.3	175.4	-52.7	0	0	0	0	106.8	L162 A166	L162-T164 VanDerWaalsContact C-N 3.28Å; L162-T164 PolarHBondContact O-N 2.98Å; T164-A166 PolarHBondContact O-N 2.65Å
165	K	62.6	Low	62.8	Low	101 Å²	101	102.3 Å²	102.3	44%	0.439	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-53.4	132.8	-164.6	-66	179.7	-178.7	171.1	0	109.5	Q163 R167 E344	Q163-K165 PolarHBondContact O-N 2.84Å; K165-R167 PolarHBondContact O-N 2.93Å; K165-E344 WeakPolarHBondContact CD-OE1 3.33Å; K165-E344 WeakPolarHBondContact CE-OE1 3.19Å; K165-E344 IonicContact NZ-OE1 3.8Å; K165-E344 PolarHBondContact NZ-OE1 3.35Å; K165-E344 IonicContact NZ-OE2 3.18Å; K165-E344 PolarHBondContact NZ-OE2 2.87Å
166	A	71.4	Confident	65	Low	73 Å²	73	97.4 Å²	97.4	60%	0.603	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-51.4	119.8	-179.1	0	0	0	0	0	108.7	T164 N593	T164-A166 PolarHBondContact O-N 2.65Å; A166-N593 WeakPolarHBondContact CA-OD1 3.47Å
167	R	76.1	Confident	67.4	Low	68 Å²	68	96.5 Å²	96.5	26%	0.257	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-67.9	145.2	-175.6	-54.4	-172.4	-166.2	85.2	2.5	108.4	K165 V286 P592 N593	K165-R167 PolarHBondContact O-N 2.93Å; R167-V286 VanDerWaalsContact CZ-CG1 3.5Å; R167-V286 VanDerWaalsContact NH2-CG1 3.35Å; R167-P592 HydrophobicContact CB-CB 3.89Å; R167-P592 WeakPolarHBondContact CB-O 3.44Å; R167-P592 WeakPolarHBondContact CD-O 3.26Å; R167-P592 PolarHBondContact NH1-O 3.38Å; R167-P592 VanDerWaalsContact O-CB 3.29Å; R167-P592 WeakPolarHBondContact O-CB 3.24Å; R167-N593 PolarHBondContact N-OD1 3.28Å; R167-N593 PolarHBondContact O-ND2 2.77Å; R167-N593 VanDerWaalsContact O-ND2 3.11Å
168	Q	76.8	Confident	69.6	Low	138 Å²	138	96.8 Å²	96.8	65%	0.645	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-74.9	143.4	176.1	-60	-59.3	-18.6	0	0	110.3
169	P	81.3	Confident	72	Confident	48 Å²	48	93.3 Å²	93.3	31%	0.312	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-70.1	158.3	170.4	31.6	-35.1	0	0	0	111.3	V171 M589 P592	P169-V171 WeakPolarHBondContact CB-O 3.34Å; P169-M589 HydrophobicContact CB-CE 3.51Å; P169-P592 HydrophobicContact CB-CG 4.1Å
170	S	80.7	Confident	74.4	Confident	9 Å²	9	84.2 Å²	84.2	6%	0.063	47%	0.472	C	S	.	.	S	Bend	trans	-75	-25.4	176.5	60.8	0	0	0	0	114	S288 W289 D290 R306 Q330	S170-S288 PolarHBondContact N-OG 2.81Å; S170-S288 VanDerWaalsContact N-OG 3.14Å; S170-S288 PolarHBondContact OG-OG 2.87Å; S170-W289 VanDerWaalsContact OG-C 3.3Å; S170-D290 WeakPolarHBondContact CB-OD1 3.41Å; S170-D290 PolarHBondContact OG-OD1 3.02Å; S170-R306 PolarHBondContact O-NH2 2.85Å; S170-Q330 VanDerWaalsContact CB-NE2 3.33Å
171	V	83.9	Confident	77	Confident	16 Å²	16	82.9 Å²	82.9	10%	0.097	46%	0.456	C	S	.	.	S	Bend	trans	-135.5	153.9	172.6	73.4	0	0	0	0	110.3	P169 V173 W177 L587 M589 F607	P169-V171 WeakPolarHBondContact CB-O 3.34Å; V171-V173 PolarHBondContact O-N 3.02Å; V171-W177 HydrophobicContact CB-CH2 4.46Å; V171-W177 HydrophobicContact CG1-CH2 3.77Å; V171-W177 HydrophobicContact CG1-CZ3 3.74Å; V171-W177 HydrophobicContact CG2-CH2 3.81Å; V171-L587 HydrophobicContact CG1-CD2 3.73Å; V171-M589 HydrophobicContact CG1-CE 3.71Å; V171-M589 HydrophobicContact CG1-SD 3.87Å; V171-F607 HydrophobicContact CG2-CE1 4.01Å; V171-F607 HydrophobicContact CG2-CZ 4.38Å
172	Q	85.5	Confident	79.6	Confident	170 Å²	170	84.9 Å²	84.9	79%	0.794	45%	0.452	S	S	*	.			trans	-80.7	107.7	171.1	-65.3	-176.5	6.1	0	0	108.8	K174	Q172-K174 PolarHBondContact O-N 3.01Å
173	V	88.4	Confident	82.1	Confident	67 Å²	67	79.7 Å²	79.7	41%	0.406	42%	0.424	S	S	.	.			trans	-64.1	115.8	177.3	178.6	0	0	0	0	109.2	V171 W177 M589 Y600	V171-V173 PolarHBondContact O-N 3.02Å; V173-W177 HydrophobicContact CB-CE3 4.37Å; V173-W177 HydrophobicContact CB-CZ3 4.46Å; V173-W177 HydrophobicContact CG1-CE3 4.02Å; V173-W177 HydrophobicContact CG2-CE3 4.5Å; V173-W177 HydrophobicContact CG2-CZ3 4.32Å; V173-M589 HydrophobicContact CG2-CE 4.22Å; V173-M589 HydrophobicContact CG2-SD 3.72Å; V173-Y600 HydrophobicContact CG1-CD1 4.44Å; V173-Y600 HydrophobicContact CG1-CE1 3.64Å; V173-Y600 HydrophobicContact CG2-CE2 4.28Å
174	K	89.5	Confident	84.4	Confident	99 Å²	99	73.8 Å²	73.8	43%	0.43	40%	0.399	S	S	.	.			trans	-78.5	156.4	177.3	-61	-178.3	176.8	171.5	0	111.2	Q172 D176 W177 E606	Q172-K174 PolarHBondContact O-N 3.01Å; K174-D176 WeakPolarHBondContact CB-OD1 3.23Å; K174-D176 PolarHBondContact O-N 3.11Å; K174-W177 HydrophobicContact CB-CD2 4.38Å; K174-W177 HydrophobicContact CB-CG 4.29Å; K174-W177 HydrophobicContact CD-CZ2 4.46Å; K174-W177 HydrophobicContact CG-CZ2 4.28Å; K174-W177 PolarHBondContact O-N 3.23Å; K174-E606 WeakPolarHBondContact CE-OE1 3.07Å; K174-E606 IonicContact NZ-OE1 2.77Å; K174-E606 PolarHBondContact NZ-OE1 3.32Å; K174-E606 IonicContact NZ-OE2 3.21Å; K174-E606 PolarHBondContact NZ-OE2 3.06Å
175	A	88.8	Confident	85.9	Confident	118 Å²	118	70.7 Å²	70.7	98%	0.975	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-9.3	-176.5	0	0	0	0	0	114.5
176	D	90.2	Very high	87.2	Confident	81 Å²	81	70.9 Å²	70.9	43%	0.433	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	1.9	177.7	63.3	-31.6	0	0	0	113.6	K174 K603	K174-D176 WeakPolarHBondContact CB-OD1 3.23Å; K174-D176 PolarHBondContact O-N 3.11Å; D176-K603 VanDerWaalsContact OD2-CE 3.25Å; D176-K603 WeakPolarHBondContact OD2-CE 3.04Å; D176-K603 IonicContact OD2-NZ 2.65Å; D176-K603 PolarHBondContact OD2-NZ 3.27Å
177	W	92.2	Very high	88.1	Confident	19 Å²	19	75.7 Å²	75.7	7%	0.072	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-83.9	123	175.6	-66.1	5.2	0	0	0	111.2	V171 V173 K174 L587 Y600 V602 E606 F607	V171-W177 HydrophobicContact CB-CH2 4.46Å; V171-W177 HydrophobicContact CG1-CH2 3.77Å; V171-W177 HydrophobicContact CG1-CZ3 3.74Å; V171-W177 HydrophobicContact CG2-CH2 3.81Å; V173-W177 HydrophobicContact CB-CE3 4.37Å; V173-W177 HydrophobicContact CB-CZ3 4.46Å; V173-W177 HydrophobicContact CG1-CE3 4.02Å; V173-W177 HydrophobicContact CG2-CE3 4.5Å; V173-W177 HydrophobicContact CG2-CZ3 4.32Å; K174-W177 HydrophobicContact CB-CD2 4.38Å; K174-W177 HydrophobicContact CB-CG 4.29Å; K174-W177 HydrophobicContact CD-CZ2 4.46Å; K174-W177 HydrophobicContact CG-CZ2 4.28Å; K174-W177 PolarHBondContact O-N 3.23Å; W177-L587 HydrophobicContact CE3-CD2 4.49Å; W177-L587 HydrophobicContact CH2-CD2 3.87Å; W177-L587 HydrophobicContact CZ3-CD2 3.6Å; W177-Y600 HydrophobicContact CB-CD1 3.86Å; W177-Y600 HydrophobicContact CB-CG 4.49Å; W177-Y600 HydrophobicContact CE3-CD1 4.24Å; W177-Y600 HydrophobicContact CE3-CD2 4.46Å; W177-Y600 HydrophobicContact CE3-CG 4.11Å; W177-V602 HydrophobicContact CD2-CG2 4.25Å; W177-V602 HydrophobicContact CG-CG2 4.4Å; W177-E606 HydrophobicContact CZ2-CG 4.09Å; W177-F607 HydrophobicContact CH2-CE1 4.43Å; W177-F607 AromaticContact CH2-CZ 3.85Å; W177-F607 HydrophobicContact CH2-CZ 3.85Å; W177-F607 HydrophobicContact CZ2-CE1 4.42Å; W177-F607 AromaticContact CZ2-CZ 3.89Å; W177-F607 HydrophobicContact CZ2-CZ 3.89Å
178	E	91.5	Very high	88.9	Confident	106 Å²	106	72.6 Å²	72.6	50%	0.495	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	124.1	-179	178.4	179.7	-167.5	0	0	110.2	V180 Y600 K601	E178-V180 PolarHBondContact O-N 3.11Å; E178-Y600 CarbonylContact O-C 2.76Å; E178-Y600 WeakPolarHBondContact O-CA 3.44Å; E178-K601 HydrophobicContact CB-CB 4.3Å; E178-K601 PolarHBondContact N-O 3.34Å; E178-K601 PolarHBondContact O-N 3.25Å; E178-K601 WeakPolarHBondContact OE2-CD 3.41Å; E178-K601 WeakPolarHBondContact OE2-CE 3.13Å; E178-K601 IonicContact OE2-NZ 2.67Å; E178-K601 PolarHBondContact OE2-NZ 2.85Å
179	V	93.1	Very high	89.5	Confident	70 Å²	70	71.7 Å²	71.7	42%	0.424	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	119.4	172.6	179.2	0	0	0	0	108.9	E182 L598 Y600	V179-E182 HydrophobicContact CG1-CG 4.26Å; V179-L598 HydrophobicContact CG1-CD2 4.43Å; V179-Y600 HydrophobicContact CG2-CD1 3.88Å; V179-Y600 HydrophobicContact CG2-CE1 3.5Å
180	V	92.7	Very high	90	Very high	45 Å²	45	77.5 Å²	77.5	27%	0.273	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-46.5	-174.7	-171.5	0	0	0	0	111.8	E178 L581 Y586 L599 K601	E178-V180 PolarHBondContact O-N 3.11Å; V180-L581 HydrophobicContact CG1-CD1 3.99Å; V180-L581 HydrophobicContact CG1-CD2 3.5Å; V180-L581 HydrophobicContact CG1-CG 4.42Å; V180-Y586 HydrophobicContact CG2-CD1 4.38Å; V180-Y586 HydrophobicContact CG2-CE1 4.34Å; V180-L599 HydrophobicContact CB-CG 4.49Å; V180-L599 WeakPolarHBondContact CB-O 3.48Å; V180-L599 PolarHBondContact N-O 2.84Å; V180-K601 HydrophobicContact CG2-CB 3.56Å
181	E	92.4	Very high	90.6	Very high	59 Å²	59	79.7 Å²	79.7	28%	0.276	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	147	-177	-77.4	-76.3	168.6	0	0	111.1	F183 K577 L599	E181-F183 HydrophobicContact CB-CE2 3.99Å; E181-F183 HydrophobicContact CB-CZ 4.34Å; E181-K577 VanDerWaalsContact CD-NZ 3.26Å; E181-K577 HydrophobicContact CG-CD 4.18Å; E181-K577 WeakPolarHBondContact OE1-CE 3.34Å; E181-K577 IonicContact OE1-NZ 2.74Å; E181-K577 PolarHBondContact OE1-NZ 3.08Å; E181-K577 IonicContact OE2-NZ 3.57Å; E181-K577 PolarHBondContact OE2-NZ 3.15Å; E181-L599 HydrophobicContact CB-CB 4.24Å; E181-L599 PolarHBondContact O-N 3.32Å
182	E	93.2	Very high	91	Very high	117 Å²	117	85.4 Å²	85.4	55%	0.547	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.5	172.6	-53.5	-159.9	155.1	0	0	111.2	V179 L598	V179-E182 HydrophobicContact CG1-CG 4.26Å; E182-L598 HydrophobicContact CB-CD2 4.13Å; E182-L598 HydrophobicContact CG-CD2 3.59Å
183	F	92.6	Very high	91.3	Very high	13 Å²	13	79.5 Å²	79.5	6%	0.057	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	111.8	176	-51.7	-100.8	0	0	0	110.9	E181 L188 K577 L588 L596 L597 L599	E181-F183 HydrophobicContact CB-CE2 3.99Å; E181-F183 HydrophobicContact CB-CZ 4.34Å; F183-L188 HydrophobicContact CB-CD1 3.97Å; F183-L188 HydrophobicContact CB-CD2 4.31Å; F183-L188 HydrophobicContact CB-CG 4.19Å; F183-L188 HydrophobicContact CD1-CD2 4.01Å; F183-K577 HydrophobicContact CE1-CB 4.44Å; F183-K577 HydrophobicContact CE1-CG 3.96Å; F183-K577 HydrophobicContact CZ-CB 3.98Å; F183-K577 HydrophobicContact CZ-CG 3.92Å; F183-L588 HydrophobicContact CE2-CD1 4.27Å; F183-L596 WeakPolarHBondContact O-CA 3.47Å; F183-L597 HydrophobicContact CB-CB 4.26Å; F183-L597 HydrophobicContact CD2-CD2 4.47Å; F183-L597 PolarHBondContact N-O 3.27Å; F183-L597 PolarHBondContact O-N 2.87Å; F183-L599 HydrophobicContact CE2-CB 4.37Å
184	D	92	Very high	91.5	Very high	56 Å²	56	80.5 Å²	80.5	30%	0.299	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.2	166.4	162.4	35.9	0	0	0	110.5	H186 R187 L188	D184-H186 PolarHBondContact O-N 3.23Å; D184-H186 IonicContact OD1-CE1 3.4Å; D184-H186 IonicContact OD1-CG 3.57Å; D184-H186 PolarHBondContact OD1-N 2.84Å; D184-H186 IonicContact OD1-ND1 3.37Å; D184-H186 PolarHBondContact OD1-ND1 2.81Å; D184-H186 IonicContact OD2-ND1 3.81Å; D184-R187 HydrophobicContact CB-CB 4.48Å; D184-R187 HydrophobicContact CB-CG 4.26Å; D184-R187 WeakPolarHBondContact O-CB 3.41Å; D184-R187 PolarHBondContact O-N 2.87Å; D184-R187 WeakPolarHBondContact OD2-CG 3.49Å; D184-R187 PolarHBondContact OD2-N 2.97Å; D184-L188 PolarHBondContact O-N 2.97Å; D184-L188 VanDerWaalsContact O-N 3.12Å
185	L	88.8	Confident	91.3	Very high	12 Å²	12	79.6 Å²	79.6	6%	0.063	42%	0.423	C	S	.	.	H	α-helix	trans	-60.2	-28.6	-179.5	-65	-177.3	0	0	0	112.9	R187 L188 Q189 C282 P595	L185-R187 VanDerWaalsContact C-N 3.32Å; L185-L188 HydrophobicContact CD2-CD1 4.02Å; L185-L188 PolarHBondContact O-N 2.91Å; L185-Q189 PolarHBondContact O-N 3.21Å; L185-C282 HydrophobicContact CD2-CB 4.26Å; L185-P595 WeakPolarHBondContact CB-O 2.87Å; L185-P595 HydrophobicContact CD1-CB 4.28Å; L185-P595 WeakPolarHBondContact CG-O 3.46Å; L185-P595 PolarHBondContact N-O 2.89Å
186	H	89.8	Confident	91.3	Very high	104 Å²	104	75.5 Å²	75.5	48%	0.481	39%	0.386	S	S	.	.	H	α-helix	trans	-74.4	-21.8	177.6	-49.5	88.1	0	0	0	113	D184 K190	D184-H186 PolarHBondContact O-N 3.23Å; D184-H186 IonicContact OD1-CE1 3.4Å; D184-H186 IonicContact OD1-CG 3.57Å; D184-H186 PolarHBondContact OD1-N 2.84Å; D184-H186 IonicContact OD1-ND1 3.37Å; D184-H186 PolarHBondContact OD1-ND1 2.81Å; D184-H186 IonicContact OD2-ND1 3.81Å; H186-K190 WeakPolarHBondContact O-CE 3.46Å
187	R	91.7	Very high	91	Very high	174 Å²	174	74 Å²	74	66%	0.657	39%	0.39	S	S	*	.	H	α-helix	trans	-77.3	-46.6	167.6	-70.2	172.7	69.6	-163.2	-0.4	110.2	D184 L185 Q189 K190	D184-R187 HydrophobicContact CB-CB 4.48Å; D184-R187 HydrophobicContact CB-CG 4.26Å; D184-R187 WeakPolarHBondContact O-CB 3.41Å; D184-R187 PolarHBondContact O-N 2.87Å; D184-R187 WeakPolarHBondContact OD2-CG 3.49Å; D184-R187 PolarHBondContact OD2-N 2.97Å; L185-R187 VanDerWaalsContact C-N 3.32Å; R187-Q189 VanDerWaalsContact C-N 3.32Å; R187-Q189 PolarHBondContact O-N 3.17Å; R187-K190 WeakPolarHBondContact O-CB 3.09Å; R187-K190 PolarHBondContact O-N 2.85Å
188	L	91	Very high	90.7	Very high	4 Å²	4	77.6 Å²	77.6	2%	0.021	42%	0.424	C	S	.	.	H	α-helix	trans	-56	-42.5	177.9	-69.7	-174	0	0	0	112.5	F183 D184 L185 K190 L191 C282 I570	F183-L188 HydrophobicContact CB-CD1 3.97Å; F183-L188 HydrophobicContact CB-CD2 4.31Å; F183-L188 HydrophobicContact CB-CG 4.19Å; F183-L188 HydrophobicContact CD1-CD2 4.01Å; D184-L188 PolarHBondContact O-N 2.97Å; D184-L188 VanDerWaalsContact O-N 3.12Å; L185-L188 HydrophobicContact CD2-CD1 4.02Å; L185-L188 PolarHBondContact O-N 2.91Å; L188-K190 PolarHBondContact O-N 3.14Å; L188-K190 VanDerWaalsContact O-N 3.08Å; L188-L191 HydrophobicContact CD2-CD1 3.77Å; L188-L191 WeakPolarHBondContact O-CB 3.47Å; L188-L191 WeakPolarHBondContact O-CG 3.46Å; L188-L191 PolarHBondContact O-N 2.81Å; L188-L191 VanDerWaalsContact O-N 3.07Å; L188-C282 VanDerWaalsContact CD1-SG 3.59Å; L188-I570 HydrophobicContact CB-CD1 4.25Å; L188-I570 HydrophobicContact CB-CG1 4.03Å; L188-I570 HydrophobicContact CD1-CG2 4.43Å; L188-I570 VanDerWaalsContact O-CG1 3.29Å; L188-I570 WeakPolarHBondContact O-CG1 3.3Å
189	Q	89.9	Confident	90.4	Very high	118 Å²	118	73 Å²	73	55%	0.551	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.9	177.9	-172.4	179	10.2	0	0	114.4	L185 R187	L185-Q189 PolarHBondContact O-N 3.21Å; R187-Q189 VanDerWaalsContact C-N 3.32Å; R187-Q189 PolarHBondContact O-N 3.17Å
190	K	92.4	Very high	90.2	Very high	171 Å²	171	75.4 Å²	75.4	74%	0.743	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-11.6	179.9	-63.5	174.1	-174.1	174.6	0	113.2	H186 R187 L188	H186-K190 WeakPolarHBondContact O-CE 3.46Å; R187-K190 WeakPolarHBondContact O-CB 3.09Å; R187-K190 PolarHBondContact O-N 2.85Å; L188-K190 PolarHBondContact O-N 3.14Å; L188-K190 VanDerWaalsContact O-N 3.08Å
191	L	93.2	Very high	89.8	Confident	55 Å²	55	75.1 Å²	75.1	29%	0.288	41%	0.408	S	S	.	.			trans	-71.6	149.7	-179.8	-55.7	179.6	0	0	0	110.9	L188 T566 C573	L188-L191 HydrophobicContact CD2-CD1 3.77Å; L188-L191 WeakPolarHBondContact O-CB 3.47Å; L188-L191 WeakPolarHBondContact O-CG 3.46Å; L188-L191 PolarHBondContact O-N 2.81Å; L188-L191 VanDerWaalsContact O-N 3.07Å; L191-T566 WeakPolarHBondContact O-CA 3.29Å; L191-T566 WeakPolarHBondContact O-CB 3.49Å; L191-T566 PolarHBondContact O-OG1 3.32Å; L191-C573 HydrophobicContact CD1-CB 3.44Å; L191-C573 VanDerWaalsContact CD1-CB 3.44Å
192	K	92.6	Very high	89.4	Confident	135 Å²	135	73.7 Å²	73.7	59%	0.587	40%	0.402	S	S	*	.			trans	-149.3	134.3	172.9	-66.2	-169	179	-166.8	0	109.6	D565	K192-D565 CarbonylContact C-O 3.34Å; K192-D565 VanDerWaalsContact CA-O 3.31Å; K192-D565 WeakPolarHBondContact CA-O 3.43Å; K192-D565 HydrophobicContact CB-CB 4.04Å; K192-D565 HydrophobicContact CD-CB 4.42Å; K192-D565 HydrophobicContact CG-CB 4.22Å
193	L	91.8	Very high	88.5	Confident	47 Å²	47	72.8 Å²	72.8	25%	0.246	41%	0.408	C	S	.	.			trans	-118	95.5	159.1	-179.4	64.6	0	0	0	108.3	V196 L429 D565 W568 R572	L193-V196 HydrophobicContact CD2-CG2 3.58Å; L193-V196 HydrophobicContact CG-CG2 3.85Å; L193-L429 HydrophobicContact CD2-CB 4.49Å; L193-D565 PolarHBondContact N-O 2.83Å; L193-W568 HydrophobicContact CB-CB 4.12Å; L193-R572 HydrophobicContact CD2-CG 3.86Å
194	P	91.3	Very high	87.8	Confident	87 Å²	87	77.4 Å²	77.4	57%	0.565	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	158.1	170.9	33.3	-34.5	0	0	0	110.5
195	G	86.2	Confident	87.3	Confident	81 Å²	81	76 Å²	76	84%	0.835	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	-0.4	171.2	0	0	0	0	0	116.2	G197	G195-G197 PolarHBondContact O-N 3.15Å
196	V	88.2	Confident	87.1	Confident	31 Å²	31	78.9 Å²	78.9	19%	0.188	44%	0.435	C	S	.	.			trans	-63.3	125.4	170.3	-176.6	0	0	0	0	109.6	L193 L429 W568	L193-V196 HydrophobicContact CD2-CG2 3.58Å; L193-V196 HydrophobicContact CG-CG2 3.85Å; V196-L429 HydrophobicContact CG1-CD2 3.71Å; V196-L429 HydrophobicContact CG2-CD2 4.07Å; V196-W568 HydrophobicContact CB-CD2 4.32Å; V196-W568 HydrophobicContact CB-CG 4.18Å; V196-W568 HydrophobicContact CG1-CD2 3.98Å; V196-W568 HydrophobicContact CG1-CE3 4.47Å; V196-W568 HydrophobicContact CG1-CG 4.38Å; V196-W568 HydrophobicContact CG1-CH2 4.38Å; V196-W568 HydrophobicContact CG1-CZ2 3.87Å; V196-W568 HydrophobicContact CG2-CB 4.12Å; V196-W568 HydrophobicContact CG2-CD2 4.18Å; V196-W568 HydrophobicContact CG2-CG 3.85Å
197	G	84.9	Confident	86.8	Confident	51 Å²	51	74.9 Å²	74.9	53%	0.526	42%	0.416	S	S	.	.			trans	-73.5	178.4	-178.5	0	0	0	0	0	114.3	G195	G195-G197 PolarHBondContact O-N 3.15Å
198	A	86.3	Confident	86.2	Confident	94 Å²	94	66.6 Å²	66.6	78%	0.777	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-67.9	141.3	162.2	0	0	0	0	0	109.3
199	G	84.8	Confident	85.5	Confident	8 Å²	8	67.2 Å²	67.2	8%	0.082	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-64.2	139	-178.6	0	0	0	0	0	111.7	R425 K426	G199-R425 PolarHBondContact O-NE 2.66Å; G199-R425 PolarHBondContact O-NH2 3.05Å; G199-K426 CarbonylContact C-O 3.26Å; G199-K426 WeakPolarHBondContact CA-O 3.41Å
200	E	87.5	Confident	84.8	Confident	121 Å²	121	61.7 Å²	61.7	57%	0.565	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	126.9	174.1	-66.8	-179.2	-166.6	0	0	109.1	I202 R425 K426	E200-I202 PolarHBondContact O-N 2.93Å; E200-R425 CarbonylContact O-C 3.59Å; E200-R425 VanDerWaalsContact O-CA 3.32Å; E200-R425 WeakPolarHBondContact O-CA 3.07Å; E200-K426 HydrophobicContact CB-CG 3.99Å; E200-K426 PolarHBondContact N-O 2.65Å; E200-K426 PolarHBondContact O-N 2.6Å; E200-K426 IonicContact OE2-NZ 2.65Å; E200-K426 PolarHBondContact OE2-NZ 2.89Å
201	D	85.4	Confident	83.8	Confident	40 Å²	40	53.7 Å²	53.7	21%	0.214	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	132.5	170.3	-69.8	18.1	0	0	0	109	S203 R206 R423 R425	D201-S203 PolarHBondContact O-N 2.92Å; D201-R206 IonicContact OD2-CZ 3.96Å; D201-R206 VanDerWaalsContact OD2-CZ 3.29Å; D201-R206 IonicContact OD2-NE 3.12Å; D201-R206 PolarHBondContact OD2-NE 2.99Å; D201-R206 IonicContact OD2-NH2 3.93Å; D201-R206 PolarHBondContact OD2-NH2 2.83Å; D201-R423 IonicContact OD2-NH1 2.85Å; D201-R423 PolarHBondContact OD2-NH1 2.77Å; D201-R425 IonicContact OD1-CZ 3.55Å; D201-R425 VanDerWaalsContact OD1-CZ 3.25Å; D201-R425 IonicContact OD1-NE 3.34Å; D201-R425 PolarHBondContact OD1-NE 3.48Å; D201-R425 IonicContact OD1-NH1 3.8Å; D201-R425 IonicContact OD1-NH2 3.87Å; D201-R425 PolarHBondContact OD1-NH2 3.38Å
202	I	82.9	Confident	82.9	Confident	28 Å²	28	53.7 Å²	53.7	14%	0.144	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	130.2	171.1	-60.9	177.6	0	0	0	107.7	E200 N204 E205 V250 Y424 K426 V436	E200-I202 PolarHBondContact O-N 2.93Å; I202-N204 PolarHBondContact O-N 2.84Å; I202-E205 HydrophobicContact CB-CB 4.12Å; I202-E205 HydrophobicContact CB-CG 4.24Å; I202-E205 HydrophobicContact CG2-CB 4.06Å; I202-E205 HydrophobicContact CG2-CG 3.61Å; I202-E205 PolarHBondContact O-N 2.95Å; I202-V250 HydrophobicContact CD1-CG1 4.22Å; I202-V250 HydrophobicContact CD1-CG2 4.22Å; I202-Y424 WeakPolarHBondContact CB-O 3.28Å; I202-Y424 WeakPolarHBondContact CG1-O 3.45Å; I202-Y424 PolarHBondContact N-O 3.21Å; I202-K426 HydrophobicContact CG1-CB 4.43Å; I202-K426 HydrophobicContact CG1-CD 4.33Å; I202-K426 HydrophobicContact CG1-CG 4.41Å; I202-V436 HydrophobicContact CD1-CG1 3.86Å; I202-V436 HydrophobicContact CD1-CG2 4.34Å
203	S	75.8	Confident	81.9	Confident	98 Å²	98	48.2 Å²	48.2	69%	0.685	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.5	127.4	-174.4	50.6	0	0	0	0	111.6	D201 E205	D201-S203 PolarHBondContact O-N 2.92Å; S203-E205 PolarHBondContact O-N 3.2Å
204	N	77.8	Confident	80.9	Confident	110 Å²	110	47.5 Å²	47.5	59%	0.588	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	69.3	-12.8	-177.8	-49.9	-6.7	0	0	0	115.7	I202 R206 H389	I202-N204 PolarHBondContact O-N 2.84Å; N204-R206 PolarHBondContact O-N 2.59Å; N204-H389 PolarHBondContact O-CD2 2.61Å
205	E	81.7	Confident	80.1	Confident	28 Å²	28	46.3 Å²	46.3	13%	0.131	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	60.6	-178.8	-57.6	-61.4	165.2	0	0	112.3	I202 S203 Y207 V246 Y424	I202-E205 HydrophobicContact CB-CB 4.12Å; I202-E205 HydrophobicContact CB-CG 4.24Å; I202-E205 HydrophobicContact CG2-CB 4.06Å; I202-E205 HydrophobicContact CG2-CG 3.61Å; I202-E205 PolarHBondContact O-N 2.95Å; S203-E205 PolarHBondContact O-N 3.2Å; E205-Y207 HydrophobicContact CB-CE2 4.27Å; E205-Y207 WeakPolarHBondContact OE2-CE2 3.41Å; E205-Y207 VanDerWaalsContact OE2-CZ 3.29Å; E205-Y207 PolarHBondContact OE2-OH 2.84Å; E205-V246 WeakPolarHBondContact OE2-CG1 3.2Å; E205-Y424 HydrophobicContact CB-CD2 4.11Å; E205-Y424 HydrophobicContact CB-CG 4.48Å; E205-Y424 PolarHBondContact O-N 2.99Å; E205-Y424 VanDerWaalsContact O-N 3.14Å
206	R	84	Confident	79.4	Confident	71 Å²	71	49 Å²	49	27%	0.268	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.8	172.7	-53.3	-167.7	-172.2	103.6	-7.6	110.8	D201 N204 F387 D388 H389 F422 R423	D201-R206 IonicContact OD2-CZ 3.96Å; D201-R206 VanDerWaalsContact OD2-CZ 3.29Å; D201-R206 IonicContact OD2-NE 3.12Å; D201-R206 PolarHBondContact OD2-NE 2.99Å; D201-R206 IonicContact OD2-NH2 3.93Å; D201-R206 PolarHBondContact OD2-NH2 2.83Å; N204-R206 PolarHBondContact O-N 2.59Å; R206-F387 HydrophobicContact CB-CB 3.9Å; R206-F387 HydrophobicContact CB-CD1 3.69Å; R206-F387 HydrophobicContact CB-CG 4Å; R206-F387 HydrophobicContact CG-CD1 4.29Å; R206-D388 HydrophobicContact CB-CB 4.42Å; R206-D388 WeakPolarHBondContact CB-OD2 3.28Å; R206-D388 VanDerWaalsContact CD-OD2 3.3Å; R206-D388 WeakPolarHBondContact CD-OD2 3.43Å; R206-D388 WeakPolarHBondContact CG-OD2 3.4Å; R206-D388 IonicContact CZ-OD2 3.48Å; R206-D388 IonicContact NE-OD2 2.75Å; R206-D388 IonicContact NH1-OD1 3.52Å; R206-D388 IonicContact NH1-OD2 2.87Å; R206-D388 PolarHBondContact NH1-OD2 2.87Å; R206-H389 PolarHBondContact O-N 3.16Å; R206-F422 WeakPolarHBondContact CA-O 3.5Å; R206-R423 HydrophobicContact CB-CG 4.44Å; R206-R423 HydrophobicContact CG-CG 4.13Å
207	Y	83.7	Confident	78.4	Confident	20 Å²	20	48.8 Å²	48.8	8%	0.078	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	155.2	-167.4	-66	-94	0	0	0	112.9	E205 V246 H389 P393 S421 F422 Y424	E205-Y207 HydrophobicContact CB-CE2 4.27Å; E205-Y207 WeakPolarHBondContact OE2-CE2 3.41Å; E205-Y207 VanDerWaalsContact OE2-CZ 3.29Å; E205-Y207 PolarHBondContact OE2-OH 2.84Å; Y207-V246 HydrophobicContact CD2-CG2 4.42Å; Y207-V246 HydrophobicContact CE1-CG2 4.41Å; Y207-V246 HydrophobicContact CE2-CG1 3.95Å; Y207-V246 HydrophobicContact CE2-CG2 3.77Å; Y207-H389 CarbonylContact C-O 3.53Å; Y207-H389 VanDerWaalsContact C-O 3.32Å; Y207-H389 WeakPolarHBondContact CA-O 3.44Å; Y207-H389 HydrophobicContact CD1-CB 3.64Å; Y207-H389 HydrophobicContact CE1-CB 3.89Å; Y207-H389 AromaticContact CE1-CD2 3.81Å; Y207-H389 AromaticContact CE1-CG 3.97Å; Y207-H389 HydrophobicContact CG-CB 4.32Å; Y207-H389 AromaticContact CZ-CD2 3.93Å; Y207-P393 HydrophobicContact CD1-CB 4.31Å; Y207-P393 HydrophobicContact CD1-CG 4.27Å; Y207-P393 HydrophobicContact CE1-CB 4.28Å; Y207-P393 HydrophobicContact CG-CG 4.34Å; Y207-S421 CarbonylContact O-C 3.04Å; Y207-S421 WeakPolarHBondContact O-CA 3.46Å; Y207-S421 WeakPolarHBondContact O-CB 3.31Å; Y207-F422 PolarHBondContact N-O 2.94Å; Y207-F422 PolarHBondContact O-N 3.04Å; Y207-Y424 HydrophobicContact CD2-CD2 4.1Å; Y207-Y424 AromaticContact CD2-CE2 3.7Å; Y207-Y424 HydrophobicContact CD2-CE2 3.7Å; Y207-Y424 HydrophobicContact CE2-CD2 4.13Å; Y207-Y424 AromaticContact CE2-CE2 3.91Å; Y207-Y424 HydrophobicContact CE2-CE2 3.91Å
208	G	79.6	Confident	77.8	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	82.9	-175.8	175.8	0	0	0	0	0	114.9	F387 H389 P390 E391	G208-F387 PolarHBondContact O-N 3.46Å; G208-H389 PolarHBondContact N-O 3.32Å; G208-P390 CarbonylContact C-O 3.56Å; G208-P390 WeakPolarHBondContact CA-O 3.41Å; G208-E391 PolarHBondContact N-O 3.08Å
209	T	75.2	Confident	77.1	Confident	18 Å²	18	54.2 Å²	54.2	11%	0.11	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	157.8	176.2	59.6	0	0	0	0	110.5	F385 Q386 P390 N419	T209-F385 CarbonylContact C-O 3.58Å; T209-F385 WeakPolarHBondContact CA-O 3.46Å; T209-F385 WeakPolarHBondContact CB-O 3.39Å; T209-Q386 HydrophobicContact CG2-CB 4.23Å; T209-Q386 HydrophobicContact CG2-CG 3.84Å; T209-P390 HydrophobicContact CG2-CB 3.87Å; T209-N419 WeakPolarHBondContact O-CB 3.3Å; T209-N419 WeakPolarHBondContact OG1-CB 3.15Å
210	L	75.1	Confident	76.3	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	164.7	170	-68	-179.3	0	0	0	110.4	K384 F385 F387 S421 H441 V444 F455	L210-K384 WeakPolarHBondContact O-CB 3.41Å; L210-F385 HydrophobicContact CB-CB 4.29Å; L210-F385 HydrophobicContact CB-CD1 4.2Å; L210-F385 PolarHBondContact N-O 2.78Å; L210-F385 PolarHBondContact O-N 3.32Å; L210-F387 HydrophobicContact CD1-CE2 3.67Å; L210-F387 HydrophobicContact CD1-CZ 4.12Å; L210-F387 HydrophobicContact CG-CE2 3.9Å; L210-S421 WeakPolarHBondContact CD2-OG 3.42Å; L210-H441 HydrophobicContact CD1-CB 3.93Å; L210-V444 HydrophobicContact CB-CG1 4.3Å; L210-V444 HydrophobicContact CB-CG2 4.24Å; L210-V444 HydrophobicContact CD1-CG1 3.82Å; L210-F455 HydrophobicContact CD1-CD1 3.96Å; L210-F455 HydrophobicContact CD1-CE1 4.2Å
211	E	72.4	Confident	75.4	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.019	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.4	-163	-142.7	167.6	-118.8	0	0	105.5	R234 F370 K384 N419 V444	E211-R234 IonicContact OE1-NH2 3.99Å; E211-R234 PolarHBondContact OE1-NH2 3.38Å; E211-R234 IonicContact OE2-CZ 3.63Å; E211-R234 IonicContact OE2-NH1 2.65Å; E211-R234 IonicContact OE2-NH2 3.49Å; E211-R234 PolarHBondContact OE2-NH2 3Å; E211-F370 VanDerWaalsContact C-CB 3.49Å; E211-F370 HydrophobicContact CB-CB 3.28Å; E211-F370 HydrophobicContact CB-CD2 3.67Å; E211-F370 HydrophobicContact CB-CG 3.62Å; E211-F370 HydrophobicContact CG-CB 3.38Å; E211-F370 HydrophobicContact CG-CD2 4.43Å; E211-F370 HydrophobicContact CG-CG 4.25Å; E211-F370 WeakPolarHBondContact O-CD1 3.33Å; E211-F370 VanDerWaalsContact O-CE1 3.32Å; E211-F370 WeakPolarHBondContact O-CE1 3.38Å; E211-F370 WeakPolarHBondContact O-CG 3.3Å; E211-K384 HydrophobicContact CG-CG 4.33Å; E211-K384 WeakPolarHBondContact OE1-CE 3.38Å; E211-K384 IonicContact OE1-NZ 2.82Å; E211-K384 PolarHBondContact OE1-NZ 2.91Å; E211-N419 PolarHBondContact OE1-ND2 3.42Å; E211-V444 PolarHBondContact O-N 2.83Å
212	Y	73.1	Confident	74.7	Confident	55 Å²	55	55.1 Å²	55.1	22%	0.216	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-87.7	128.2	-165.8	-77.1	-74.4	0	0	0	114.9	F370 Y371 F385 V444 L446	Y212-F370 VanDerWaalsContact C-CD1 3.4Å; Y212-F370 VanDerWaalsContact O-CA 3.27Å; Y212-F370 WeakPolarHBondContact O-CA 3.43Å; Y212-Y371 PolarHBondContact O-N 3.19Å; Y212-F385 HydrophobicContact CE2-CB 4.22Å; Y212-V444 HydrophobicContact CD1-CB 4.34Å; Y212-V444 HydrophobicContact CD1-CG2 3.46Å; Y212-V444 VanDerWaalsContact CD1-CG2 3.46Å; Y212-V444 HydrophobicContact CE1-CB 4.39Å; Y212-V444 HydrophobicContact CE1-CG2 3.62Å; Y212-V444 HydrophobicContact CG-CG2 4.04Å; Y212-L446 HydrophobicContact CD1-CD2 4.08Å; Y212-L446 HydrophobicContact CD1-CG 4.06Å; Y212-L446 HydrophobicContact CE1-CD2 3.56Å; Y212-L446 HydrophobicContact CE1-CG 4.06Å
213	Y	72.4	Confident	73.9	Confident	19 Å²	19	54.3 Å²	54.3	8%	0.075	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-68.4	133.5	-173.5	-170	-97.8	0	0	0	113.1	P215 D218 F370 V444 L445 L456 K513 I548	Y213-P215 WeakPolarHBondContact O-CD 3.46Å; Y213-D218 PolarHBondContact OH-OD1 3.35Å; Y213-F370 HydrophobicContact CD2-CD1 4.43Å; Y213-F370 AromaticContact CD2-CE1 3.93Å; Y213-F370 HydrophobicContact CD2-CE1 3.93Å; Y213-F370 HydrophobicContact CG-CE1 4.44Å; Y213-V444 WeakPolarHBondContact CB-O 3.08Å; Y213-V444 PolarHBondContact N-O 2.88Å; Y213-L445 HydrophobicContact CD1-CD1 4Å; Y213-L445 HydrophobicContact CG-CD1 4.5Å; Y213-L456 HydrophobicContact CD2-CD1 4.07Å; Y213-L456 HydrophobicContact CG-CD1 4.09Å; Y213-K513 HydrophobicContact CD2-CD 4.42Å; Y213-K513 HydrophobicContact CE1-CD 4.21Å; Y213-K513 HydrophobicContact CE2-CD 3.78Å; Y213-K513 PolarHBondContact OH-NZ 3.15Å; Y213-I548 WeakPolarHBondContact OH-CD1 3.42Å
214	D	71.5	Confident	73.9	Confident	32 Å²	32	60.1 Å²	60.1	17%	0.171	26%	0.263	C	S	.	.			trans	-91.7	104.5	173.8	-171.9	-14.9	0	0	0	111.4	R216 Y217	D214-R216 PolarHBondContact O-N 2.95Å; D214-R216 WeakPolarHBondContact OD1-CB 3.37Å; D214-R216 VanDerWaalsContact OD1-CD 3.31Å; D214-R216 WeakPolarHBondContact OD1-CD 3.12Å; D214-R216 WeakPolarHBondContact OD1-CG 3.44Å; D214-R216 PolarHBondContact OD1-N 3.39Å; D214-R216 IonicContact OD1-NE 2.71Å; D214-R216 IonicContact OD1-NH1 3.38Å; D214-R216 WeakPolarHBondContact OD2-CD 3.43Å; D214-R216 IonicContact OD2-CZ 3.82Å; D214-R216 IonicContact OD2-NE 3.9Å; D214-R216 IonicContact OD2-NH1 2.69Å; D214-R216 PolarHBondContact OD2-NH1 3.16Å; D214-Y217 HydrophobicContact CB-CD2 3.89Å; D214-Y217 HydrophobicContact CB-CE2 3.94Å; D214-Y217 WeakPolarHBondContact O-CD2 3.41Å; D214-Y217 PolarHBondContact O-N 2.88Å
215	P	73.6	Confident	73.8	Confident	62 Å²	62	59.9 Å²	59.9	40%	0.403	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	2.7	179.8	33	-38.4	0	0	0	113.8	Y213 Y217	Y213-P215 WeakPolarHBondContact O-CD 3.46Å; P215-Y217 PolarHBondContact O-N 3.04Å
216	R	72	Confident	73.3	Confident	137 Å²	137	61.4 Å²	61.4	52%	0.517	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-29	169.1	-66.4	169.4	-170.9	135.2	-7.2	111.6	D214 R219 R220	D214-R216 PolarHBondContact O-N 2.95Å; D214-R216 WeakPolarHBondContact OD1-CB 3.37Å; D214-R216 VanDerWaalsContact OD1-CD 3.31Å; D214-R216 WeakPolarHBondContact OD1-CD 3.12Å; D214-R216 WeakPolarHBondContact OD1-CG 3.44Å; D214-R216 PolarHBondContact OD1-N 3.39Å; D214-R216 IonicContact OD1-NE 2.71Å; D214-R216 IonicContact OD1-NH1 3.38Å; D214-R216 WeakPolarHBondContact OD2-CD 3.43Å; D214-R216 IonicContact OD2-CZ 3.82Å; D214-R216 IonicContact OD2-NE 3.9Å; D214-R216 IonicContact OD2-NH1 2.69Å; D214-R216 PolarHBondContact OD2-NH1 3.16Å; R216-R219 PolarHBondContact O-N 2.94Å; R216-R220 WeakPolarHBondContact O-CG 3.29Å; R216-R220 PolarHBondContact O-N 3.23Å
217	Y	67.9	Low	72.7	Confident	27 Å²	27	59.7 Å²	59.7	11%	0.106	27%	0.265	C	S	.	.	H	α-helix	trans	-77.8	-32.8	-173.8	-67.6	-73.9	0	0	0	114.1	D214 P215 R219 R220 L221 I227 S527 C528	D214-Y217 HydrophobicContact CB-CD2 3.89Å; D214-Y217 HydrophobicContact CB-CE2 3.94Å; D214-Y217 WeakPolarHBondContact O-CD2 3.41Å; D214-Y217 PolarHBondContact O-N 2.88Å; P215-Y217 PolarHBondContact O-N 3.04Å; Y217-R219 PolarHBondContact O-N 3.2Å; Y217-R220 PolarHBondContact O-N 2.94Å; Y217-L221 PolarHBondContact O-N 3.26Å; Y217-I227 HydrophobicContact CD1-CD1 4.02Å; Y217-I227 HydrophobicContact CE1-CD1 3.97Å; Y217-S527 VanDerWaalsContact CD1-O 3.23Å; Y217-S527 WeakPolarHBondContact CD1-O 3.46Å; Y217-S527 WeakPolarHBondContact CD2-O 3.41Å; Y217-S527 WeakPolarHBondContact CE1-O 3.41Å; Y217-S527 WeakPolarHBondContact CE2-O 3.37Å; Y217-S527 VanDerWaalsContact CE2-OG 3.25Å; Y217-S527 WeakPolarHBondContact CE2-OG 3.46Å; Y217-S527 VanDerWaalsContact CZ-OG 3.27Å; Y217-S527 PolarHBondContact OH-OG 3Å; Y217-C528 HydrophobicContact CD1-CB 3.96Å; Y217-C528 WeakPolarHBondContact CD1-SG 3.15Å; Y217-C528 HydrophobicContact CG-CB 4.03Å
218	D	71.4	Confident	72	Confident	56 Å²	56	60.7 Å²	60.7	30%	0.299	27%	0.274	S	S	.	.	H	α-helix	trans	-56.1	-22.7	169.3	-61.5	-22	0	0	0	112.4	Y213 K513 I548	Y213-D218 PolarHBondContact OH-OD1 3.35Å; D218-K513 IonicContact OD1-NZ 3.77Å; D218-K513 PolarHBondContact OD1-NZ 3.23Å; D218-K513 IonicContact OD2-NZ 3.45Å; D218-K513 PolarHBondContact OD2-NZ 3.35Å; D218-I548 WeakPolarHBondContact OD1-CG2 3.39Å
219	R	71.5	Confident	71.3	Confident	203 Å²	203	62 Å²	62	77%	0.766	28%	0.28	S	S	*	.	H	α-helix	trans	-105.4	-23.7	179.3	-68.7	-176.1	-72.8	175.7	-4.6	115.2	R216 Y217	R216-R219 PolarHBondContact O-N 2.94Å; Y217-R219 PolarHBondContact O-N 3.2Å
220	R	68.3	Low	70.9	Confident	146 Å²	146	63.6 Å²	63.6	55%	0.551	29%	0.287	S	S	*	.	H	α-helix	trans	-79	-28.4	-178.2	-83.2	179.7	168	-169.9	-5	113.3	R216 Y217 N225	R216-R220 WeakPolarHBondContact O-CG 3.29Å; R216-R220 PolarHBondContact O-N 3.23Å; Y217-R220 PolarHBondContact O-N 2.94Å; R220-N225 WeakPolarHBondContact O-CB 3.39Å
221	L	68.7	Low	70.1	Confident	10 Å²	10	70.9 Å²	70.9	5%	0.052	31%	0.314	C	S	.	.			trans	-94.8	129.3	-167.1	-70.4	163.6	0	0	0	112.5	Y217 I227 C528 I545 L546 I548	Y217-L221 PolarHBondContact O-N 3.26Å; L221-I227 HydrophobicContact CD2-CB 4.1Å; L221-I227 HydrophobicContact CD2-CD1 3.71Å; L221-I227 HydrophobicContact CD2-CG1 3.78Å; L221-I227 HydrophobicContact CG-CD1 4.25Å; L221-C528 HydrophobicContact CD1-CB 3.7Å; L221-I545 HydrophobicContact CD1-CG2 3.46Å; L221-I545 VanDerWaalsContact CD1-CG2 3.46Å; L221-I545 HydrophobicContact CD2-CB 4.07Å; L221-I545 HydrophobicContact CD2-CG2 3.73Å; L221-I545 WeakPolarHBondContact CD2-O 3.29Å; L221-I545 HydrophobicContact CG-CG2 4.21Å; L221-L546 CarbonylContact C-O 3.44Å; L221-I548 HydrophobicContact CD1-CD1 3.77Å; L221-I548 HydrophobicContact CD1-CG1 3.59Å
222	S	70.3	Confident	69.3	Low	33 Å²	33	72.4 Å²	72.4	23%	0.231	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-155.3	166.3	179.2	170.6	0	0	0	0	109	R224 N225 D479 L546	S222-R224 PolarHBondContact O-N 3.12Å; S222-N225 PolarHBondContact N-O 3.19Å; S222-N225 CarbonylContact O-C 3.19Å; S222-N225 PolarHBondContact O-N 3.02Å; S222-D479 WeakPolarHBondContact CB-OD1 3.46Å; S222-D479 PolarHBondContact OG-OD1 2.91Å; S222-D479 PolarHBondContact OG-OD2 3.22Å; S222-D479 VanDerWaalsContact OG-OD2 3.07Å; S222-L546 CarbonylContact C-O 3.33Å; S222-L546 VanDerWaalsContact CA-O 3.26Å; S222-L546 WeakPolarHBondContact CA-O 3.18Å; S222-L546 PolarHBondContact N-O 3.09Å
223	G	66.5	Low	68.5	Low	11 Å²	11	76.5 Å²	76.5	11%	0.113	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-3.5	179.7	0	0	0	0	0	116.4	D479	G223-D479 VanDerWaalsContact CA-OD2 3.24Å; G223-D479 WeakPolarHBondContact CA-OD2 3.1Å; G223-D479 PolarHBondContact N-OD1 3.03Å; G223-D479 PolarHBondContact N-OD2 3.2Å
224	R	75.2	Confident	67.6	Low	220 Å²	220	76.6 Å²	76.6	83%	0.83	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-16	172	-57.4	-178.1	-177.6	-172	0.1	114.3	S222	S222-R224 PolarHBondContact O-N 3.12Å
225	N	76.8	Confident	67	Low	105 Å²	105	77 Å²	77	56%	0.561	35%	0.348	S	S	*	.	B	Isolated β-bridge	trans	-119.9	88.6	-173.5	-74.5	-2.8	0	0	0	108.4	R220 S222	R220-N225 WeakPolarHBondContact O-CB 3.39Å; S222-N225 PolarHBondContact N-O 3.19Å; S222-N225 CarbonylContact O-C 3.19Å; S222-N225 PolarHBondContact O-N 3.02Å
226	E	70.9	Confident	66.4	Low	59 Å²	59	75.8 Å²	75.8	28%	0.276	34%	0.337	S	S	.	.			trans	-117.8	148.6	-166.5	63.4	174.5	-137.7	0	0	112.5	I518 V544 I545 L546	E226-I518 VanDerWaalsContact OE2-CG2 3.27Å; E226-I518 WeakPolarHBondContact OE2-CG2 3.15Å; E226-V544 HydrophobicContact CB-CG2 3.54Å; E226-V544 HydrophobicContact CG-CG2 3.61Å; E226-V544 WeakPolarHBondContact OE1-CG2 3.27Å; E226-I545 CarbonylContact C-O 3.52Å; E226-I545 WeakPolarHBondContact CA-O 3.04Å; E226-I545 VanDerWaalsContact CB-O 3.29Å; E226-I545 WeakPolarHBondContact CB-O 3.38Å; E226-L546 HydrophobicContact CB-CD2 4.09Å
227	I	70.3	Confident	66	Low	36 Å²	36	71.3 Å²	71.3	19%	0.185	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	119.1	-166	-66.3	178.2	0	0	0	112.2	Y217 L221 L229 V544 I545	Y217-I227 HydrophobicContact CD1-CD1 4.02Å; Y217-I227 HydrophobicContact CE1-CD1 3.97Å; L221-I227 HydrophobicContact CD2-CB 4.1Å; L221-I227 HydrophobicContact CD2-CD1 3.71Å; L221-I227 HydrophobicContact CD2-CG1 3.78Å; L221-I227 HydrophobicContact CG-CD1 4.25Å; I227-L229 PolarHBondContact O-N 2.98Å; I227-V544 CarbonylContact O-C 3.37Å; I227-V544 WeakPolarHBondContact O-CA 3.45Å; I227-V544 WeakPolarHBondContact O-CB 3.48Å; I227-I545 HydrophobicContact CB-CB 4.42Å; I227-I545 PolarHBondContact N-O 3.2Å; I227-I545 PolarHBondContact O-N 2.76Å
228	P	68.9	Low	66	Low	40 Å²	40	71.7 Å²	71.7	26%	0.26	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	131	-173	18.9	-30	0	0	0	115.2	Q230 V544	P228-Q230 PolarHBondContact O-N 3.37Å; P228-V544 HydrophobicContact CB-CG1 3.72Å
229	L	66.1	Low	66.1	Low	27 Å²	27	70.3 Å²	70.3	14%	0.141	32%	0.32	C	S	.	.			trans	-75.3	107.5	178.1	-157	72	0	0	0	106.9	I227 P365 I532 H543 I545	I227-L229 PolarHBondContact O-N 2.98Å; L229-P365 HydrophobicContact CD1-CB 3.62Å; L229-P365 HydrophobicContact CD1-CG 3.64Å; L229-P365 HydrophobicContact CD2-CB 4.39Å; L229-P365 HydrophobicContact CD2-CG 3.61Å; L229-P365 HydrophobicContact CG-CB 3.8Å; L229-P365 HydrophobicContact CG-CG 3.58Å; L229-I532 HydrophobicContact CD2-CG1 4.19Å; L229-I532 HydrophobicContact CD2-CG2 4.21Å; L229-H543 HydrophobicContact CB-CB 3.79Å; L229-H543 WeakPolarHBondContact CB-O 3.33Å; L229-H543 HydrophobicContact CD2-CB 3.47Å; L229-H543 VanDerWaalsContact CD2-CB 3.47Å; L229-H543 HydrophobicContact CG-CB 4.26Å; L229-H543 PolarHBondContact N-O 3.46Å; L229-I545 HydrophobicContact CD1-CD1 3.84Å; L229-I545 HydrophobicContact CD1-CG1 3.71Å
230	Q	65.7	Low	66.3	Low	52 Å²	52	61 Å²	61	24%	0.243	29%	0.285	C	S	.	.			trans	-86.6	134.2	-176.5	-64.6	-178.3	30	0	0	109	P228 V232 N525 P526	P228-Q230 PolarHBondContact O-N 3.37Å; Q230-V232 PolarHBondContact O-N 3.37Å; Q230-N525 VanDerWaalsContact NE2-C 3.28Å; Q230-N525 PolarHBondContact NE2-O 3.33Å; Q230-N525 VanDerWaalsContact NE2-O 3.17Å; Q230-P526 HydrophobicContact CB-CB 4.13Å; Q230-P526 HydrophobicContact CB-CG 4.2Å; Q230-P526 HydrophobicContact CG-CB 4.03Å; Q230-P526 HydrophobicContact CG-CG 4.37Å; Q230-P526 VanDerWaalsContact OE1-CD 3.3Å
231	R	59.8	Low	66.9	Low	155 Å²	155	54.1 Å²	54.1	59%	0.585	26%	0.26	S	S	*	.			trans	-68.6	125.3	171.6	-57.3	-178.4	175.7	-149.7	-7.6	107.6	W360 S541	R231-W360 HydrophobicContact CG-CH2 4Å; R231-W360 HydrophobicContact CG-CZ2 3.66Å; R231-W360 VanDerWaalsContact NE-CZ2 3.33Å; R231-S541 PolarHBondContact NH2-O 3.15Å
232	V	55.5	Low	67.4	Low	35 Å²	35	57.7 Å²	57.7	21%	0.212	28%	0.282	C	S	.	.			trans	-132.6	131.7	176.6	-160	0	0	0	0	110.8	Q230 R234 F364 L368	Q230-V232 PolarHBondContact O-N 3.37Å; V232-R234 PolarHBondContact O-N 2.96Å; V232-F364 WeakPolarHBondContact O-CD1 3.39Å; V232-L368 HydrophobicContact CB-CD1 3.73Å; V232-L368 HydrophobicContact CG1-CD1 3.41Å; V232-L368 VanDerWaalsContact CG1-CD1 3.41Å; V232-L368 HydrophobicContact CG1-CD2 4.39Å; V232-L368 HydrophobicContact CG2-CD1 4.05Å; V232-L368 HydrophobicContact CG2-CD2 4.03Å
233	H	56.3	Low	67.9	Low	142 Å²	142	60.4 Å²	60.4	66%	0.657	29%	0.294	S	S	*	.			trans	-87.6	97	-178.6	-59.6	-80.9	0	0	0	109.3
234	R	53.2	Low	68.5	Low	21 Å²	21	60 Å²	60	8%	0.079	29%	0.289	C	S	.	.			trans	-115.1	146.9	165.7	-80.2	-172.6	155	172	3.8	108.8	E211 V232 F236 R367 L368 H417	E211-R234 IonicContact OE1-NH2 3.99Å; E211-R234 PolarHBondContact OE1-NH2 3.38Å; E211-R234 IonicContact OE2-CZ 3.63Å; E211-R234 IonicContact OE2-NH1 2.65Å; E211-R234 IonicContact OE2-NH2 3.49Å; E211-R234 PolarHBondContact OE2-NH2 3Å; V232-R234 PolarHBondContact O-N 2.96Å; R234-F236 HydrophobicContact CB-CE2 4Å; R234-F236 HydrophobicContact CB-CZ 4.05Å; R234-F236 WeakPolarHBondContact O-CD2 3.36Å; R234-F236 WeakPolarHBondContact O-CE2 3.48Å; R234-R367 VanDerWaalsContact NH1-C 3.27Å; R234-R367 PolarHBondContact NH1-O 3.41Å; R234-L368 HydrophobicContact CG-CD1 4.07Å; R234-H417 PolarHBondContact NE-O 2.85Å; R234-H417 VanDerWaalsContact NE-O 3.08Å
235	V	58.8	Low	68.8	Low	41 Å²	41	51.3 Å²	51.3	25%	0.248	26%	0.261	C	S	.	.			trans	-77.9	138.3	167.8	-179.7	0	0	0	0	108.6	F237 S418	V235-F237 HydrophobicContact CG1-CE1 4.37Å; V235-F237 HydrophobicContact CG1-CE2 4.27Å; V235-F237 HydrophobicContact CG1-CZ 4.12Å; V235-S418 VanDerWaalsContact O-CB 3.31Å; V235-S418 WeakPolarHBondContact O-CB 3.4Å; V235-S418 PolarHBondContact O-N 3.19Å; V235-S418 PolarHBondContact O-OG 3.08Å
236	F	59.9	Low	68.9	Low	36 Å²	36	46.3 Å²	46.3	16%	0.158	24%	0.235	C	C	.	.			trans	-120.4	128.5	173.8	-65.2	-84.2	0	0	0	108.8	R234 P314 Q363	R234-F236 HydrophobicContact CB-CE2 4Å; R234-F236 HydrophobicContact CB-CZ 4.05Å; R234-F236 WeakPolarHBondContact O-CD2 3.36Å; R234-F236 WeakPolarHBondContact O-CE2 3.48Å; F236-P314 HydrophobicContact CB-CB 4.4Å; F236-P314 HydrophobicContact CB-CG 4.25Å; F236-Q363 HydrophobicContact CD2-CB 4.39Å; F236-Q363 HydrophobicContact CE2-CB 4.1Å; F236-Q363 HydrophobicContact CZ-CB 4.3Å; F236-Q363 WeakPolarHBondContact CZ-O 3.49Å
237	F	64.7	Low	69.3	Low	43 Å²	43	43.7 Å²	43.7	19%	0.189	22%	0.222	C	C	.	.			trans	-94.2	121.5	-178.3	-62.8	-86.6	0	0	0	109.9	V235 V239 L392 P420	V235-F237 HydrophobicContact CG1-CE1 4.37Å; V235-F237 HydrophobicContact CG1-CE2 4.27Å; V235-F237 HydrophobicContact CG1-CZ 4.12Å; F237-V239 HydrophobicContact CB-CG2 4.35Å; F237-L392 HydrophobicContact CD2-CD1 3.82Å; F237-L392 HydrophobicContact CE2-CD1 3.47Å; F237-L392 VanDerWaalsContact CE2-CD1 3.47Å; F237-L392 HydrophobicContact CZ-CD1 4.18Å; F237-P420 HydrophobicContact CD2-CG 4.42Å
238	T	67	Low	69.7	Low	35 Å²	35	48.1 Å²	48.1	22%	0.215	24%	0.242	C	C	.	.			trans	-126	40.6	176.8	52.9	0	0	0	0	111.3	K305 G312 P314	T238-K305 VanDerWaalsContact O-CE 3.31Å; T238-K305 WeakPolarHBondContact O-CE 3.44Å; T238-K305 PolarHBondContact O-NZ 3.09Å; T238-K305 VanDerWaalsContact O-NZ 3.14Å; T238-G312 VanDerWaalsContact CB-O 3.31Å; T238-G312 WeakPolarHBondContact CB-O 3.29Å; T238-G312 WeakPolarHBondContact CG2-O 3.23Å; T238-G312 PolarHBondContact OG1-O 3.43Å; T238-P314 HydrophobicContact CG2-CG 3.46Å; T238-P314 VanDerWaalsContact CG2-CG 3.46Å; T238-P314 WeakPolarHBondContact OG1-CD 3.31Å
239	V	73.3	Confident	70.1	Confident	26 Å²	26	50.9 Å²	50.9	16%	0.158	25%	0.25	C	S	.	.			trans	-40.8	151.8	164	-170.3	0	0	0	0	110.7	F237 D243 E271 K305 Y394 R438	F237-V239 HydrophobicContact CB-CG2 4.35Å; V239-D243 HydrophobicContact CG1-CB 3.64Å; V239-D243 VanDerWaalsContact CG1-O 3.31Å; V239-D243 WeakPolarHBondContact CG1-O 3.24Å; V239-E271 VanDerWaalsContact C-OE1 3.3Å; V239-K305 PolarHBondContact O-NZ 3.09Å; V239-Y394 HydrophobicContact CB-CE1 4.45Å; V239-Y394 HydrophobicContact CB-CE2 4.4Å; V239-Y394 HydrophobicContact CG1-CD1 4.12Å; V239-Y394 HydrophobicContact CG1-CE1 4Å; V239-Y394 HydrophobicContact CG2-CD1 4.08Å; V239-Y394 HydrophobicContact CG2-CD2 3.63Å; V239-Y394 HydrophobicContact CG2-CE1 4.34Å; V239-Y394 HydrophobicContact CG2-CE2 3.89Å; V239-Y394 HydrophobicContact CG2-CG 3.73Å; V239-R438 PolarHBondContact O-NH2 2.98Å
240	T	76.9	Confident	70.2	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.049	25%	0.248	C	C	.	.			trans	-91.8	174.1	178.8	62.7	0	0	0	0	112.5	T242 D243 E271 D304 K305 L307	T240-T242 VanDerWaalsContact C-N 3.32Å; T240-D243 WeakPolarHBondContact OG1-CB 3.49Å; T240-D243 PolarHBondContact OG1-N 3.2Å; T240-D243 PolarHBondContact OG1-OD2 2.71Å; T240-E271 VanDerWaalsContact CA-OE1 3.23Å; T240-E271 WeakPolarHBondContact CA-OE1 3.34Å; T240-D304 VanDerWaalsContact CB-OD1 3.26Å; T240-D304 WeakPolarHBondContact CB-OD1 3.19Å; T240-D304 WeakPolarHBondContact CB-OD2 3.34Å; T240-K305 HydrophobicContact CG2-CG 4.42Å; T240-L307 HydrophobicContact CG2-CD2 3.53Å; T240-L307 HydrophobicContact CG2-CG 4.08Å
241	T	79.6	Confident	70.1	Confident	2 Å²	2	49 Å²	49	1%	0.012	24%	0.242	C	C	.	.	S	Bend	trans	-64.5	-37.9	174	-61.6	0	0	0	0	111.4	I247 E271 F302 F303 D304	T241-I247 HydrophobicContact CG2-CD1 4.15Å; T241-E271 PolarHBondContact N-OE1 3.26Å; T241-E271 WeakPolarHBondContact OG1-CG 3.33Å; T241-F302 HydrophobicContact CG2-CB 4.21Å; T241-F302 HydrophobicContact CG2-CD1 4.06Å; T241-F303 WeakPolarHBondContact CB-O 3.37Å; T241-F303 PolarHBondContact OG1-O 3.31Å; T241-D304 WeakPolarHBondContact CA-OD2 3.22Å; T241-D304 VanDerWaalsContact CB-OD2 3.31Å; T241-D304 WeakPolarHBondContact CB-OD2 3.36Å; T241-D304 VanDerWaalsContact N-CG 3.26Å; T241-D304 PolarHBondContact N-OD1 2.93Å; T241-D304 PolarHBondContact N-OD2 3.26Å
242	T	80.1	Confident	69.9	Low	84 Å²	84	44.7 Å²	44.7	52%	0.515	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-31.6	179.6	-74	0	0	0	0	113.3	T240 D244 D304	T240-T242 VanDerWaalsContact C-N 3.32Å; T242-D244 PolarHBondContact O-N 2.65Å; T242-D304 PolarHBondContact N-OD2 3.31Å
243	D	80.2	Confident	69.8	Low	91 Å²	91	47.7 Å²	47.7	49%	0.487	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	10.9	177.2	-57	-36.8	0	0	0	113.6	V239 T240 P245	V239-D243 HydrophobicContact CG1-CB 3.64Å; V239-D243 VanDerWaalsContact CG1-O 3.31Å; V239-D243 WeakPolarHBondContact CG1-O 3.24Å; T240-D243 WeakPolarHBondContact OG1-CB 3.49Å; T240-D243 PolarHBondContact OG1-N 3.2Å; T240-D243 PolarHBondContact OG1-OD2 2.71Å; D243-P245 WeakPolarHBondContact O-CD 3.44Å
244	D	79.1	Confident	69.6	Low	2 Å²	2	43.3 Å²	43.3	1%	0.011	23%	0.233	C	C	.	.			trans	-97.3	101	-176.3	-170.6	-31.2	0	0	0	112.8	T242 V246 I247 E248 Y394 Y424 R438	T242-D244 PolarHBondContact O-N 2.65Å; D244-V246 PolarHBondContact O-N 3.27Å; D244-V246 VanDerWaalsContact O-N 3.11Å; D244-V246 WeakPolarHBondContact OD1-CA 3.46Å; D244-V246 WeakPolarHBondContact OD1-CB 3.32Å; D244-V246 PolarHBondContact OD1-N 3.42Å; D244-I247 HydrophobicContact CB-CB 3.97Å; D244-I247 HydrophobicContact CB-CD1 3.92Å; D244-I247 HydrophobicContact CB-CG1 3.94Å; D244-I247 PolarHBondContact O-N 2.98Å; D244-I247 PolarHBondContact OD1-N 3.14Å; D244-E248 PolarHBondContact O-N 3.4Å; D244-Y394 HydrophobicContact CB-CE1 4.25Å; D244-Y394 PolarHBondContact OD2-OH 3.02Å; D244-Y424 PolarHBondContact OD1-OH 2.66Å; D244-Y424 PolarHBondContact OD2-OH 3.3Å; D244-Y424 VanDerWaalsContact OD2-OH 3.05Å; D244-R438 VanDerWaalsContact OD2-CD 3.27Å; D244-R438 WeakPolarHBondContact OD2-CD 3.35Å; D244-R438 IonicContact OD2-CZ 2.78Å; D244-R438 IonicContact OD2-NE 3.99Å; D244-R438 IonicContact OD2-NH1 2.76Å; D244-R438 PolarHBondContact OD2-NH1 3.37Å
245	P	81.1	Confident	69.3	Low	38 Å²	38	47.6 Å²	47.6	25%	0.247	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-11.5	179.2	25.4	-36.8	0	0	0	114.9	D243 K249 P393 Y394	D243-P245 WeakPolarHBondContact O-CD 3.44Å; P245-K249 WeakPolarHBondContact O-CB 3.31Å; P245-K249 WeakPolarHBondContact O-CD 3.49Å; P245-K249 WeakPolarHBondContact O-CG 3.41Å; P245-K249 PolarHBondContact O-N 2.96Å; P245-K249 VanDerWaalsContact O-N 3.15Å; P245-P393 HydrophobicContact CG-CB 4.5Å; P245-P393 WeakPolarHBondContact CG-O 3.31Å; P245-Y394 HydrophobicContact CG-CD1 4.18Å; P245-Y394 HydrophobicContact CG-CE1 4.46Å
246	V	80.2	Confident	68.4	Low	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-84.3	-36.9	170	-172.9	0	0	0	0	110.5	E205 Y207 D244 E248 K249 V250 P393 Y424	E205-V246 WeakPolarHBondContact OE2-CG1 3.2Å; Y207-V246 HydrophobicContact CD2-CG2 4.42Å; Y207-V246 HydrophobicContact CE1-CG2 4.41Å; Y207-V246 HydrophobicContact CE2-CG1 3.95Å; Y207-V246 HydrophobicContact CE2-CG2 3.77Å; D244-V246 PolarHBondContact O-N 3.27Å; D244-V246 VanDerWaalsContact O-N 3.11Å; D244-V246 WeakPolarHBondContact OD1-CA 3.46Å; D244-V246 WeakPolarHBondContact OD1-CB 3.32Å; D244-V246 PolarHBondContact OD1-N 3.42Å; V246-E248 VanDerWaalsContact C-N 3.33Å; V246-K249 PolarHBondContact O-N 2.66Å; V246-V250 WeakPolarHBondContact O-CG2 3.44Å; V246-V250 PolarHBondContact O-N 2.69Å; V246-P393 HydrophobicContact CG2-CB 3.45Å; V246-P393 VanDerWaalsContact CG2-CB 3.45Å; V246-P393 HydrophobicContact CG2-CG 3.74Å; V246-Y424 HydrophobicContact CB-CD1 4.47Å; V246-Y424 HydrophobicContact CB-CD2 4.26Å; V246-Y424 HydrophobicContact CB-CE1 3.91Å; V246-Y424 HydrophobicContact CB-CE2 3.69Å; V246-Y424 VanDerWaalsContact CB-CZ 3.48Å; V246-Y424 HydrophobicContact CG1-CD1 4.09Å; V246-Y424 HydrophobicContact CG1-CD2 3.54Å; V246-Y424 HydrophobicContact CG1-CE1 4.01Å; V246-Y424 HydrophobicContact CG1-CE2 3.47Å; V246-Y424 VanDerWaalsContact CG1-CE2 3.47Å; V246-Y424 HydrophobicContact CG1-CG 3.87Å; V246-Y424 HydrophobicContact CG2-CE2 3.91Å
247	I	78.9	Confident	67.4	Low	4 Å²	4	52.3 Å²	52.3	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-42.1	170.9	-65.6	-179.7	0	0	0	110	T241 D244 V250 D251 A269 F302 Y424	T241-I247 HydrophobicContact CG2-CD1 4.15Å; D244-I247 HydrophobicContact CB-CB 3.97Å; D244-I247 HydrophobicContact CB-CD1 3.92Å; D244-I247 HydrophobicContact CB-CG1 3.94Å; D244-I247 PolarHBondContact O-N 2.98Å; D244-I247 PolarHBondContact OD1-N 3.14Å; I247-V250 PolarHBondContact O-N 2.67Å; I247-D251 VanDerWaalsContact O-CB 3.29Å; I247-D251 WeakPolarHBondContact O-CB 3.31Å; I247-D251 PolarHBondContact O-N 3.43Å; I247-A269 HydrophobicContact CG2-CB 3.7Å; I247-F302 HydrophobicContact CG2-CE1 4.22Å; I247-Y424 HydrophobicContact CG1-CD1 4.32Å; I247-Y424 HydrophobicContact CG1-CE1 3.93Å
248	E	78.9	Confident	66.2	Low	129 Å²	129	57.4 Å²	57.4	60%	0.603	32%	0.317	S	S	*	.	H	α-helix	trans	-60.3	-45.2	172.9	-167.4	-170.5	-167.8	0	0	112.2	D244 V246 D251 T252	D244-E248 PolarHBondContact O-N 3.4Å; V246-E248 VanDerWaalsContact C-N 3.33Å; E248-D251 PolarHBondContact O-N 3.31Å; E248-T252 WeakPolarHBondContact O-CG2 3.42Å; E248-T252 PolarHBondContact O-N 3Å; E248-T252 PolarHBondContact O-OG1 3.01Å
249	K	76.7	Confident	64.8	Low	98 Å²	98	62.5 Å²	62.5	43%	0.426	34%	0.343	S	S	.	.	H	α-helix	trans	-59.5	-46.6	173.5	-76.9	163.8	-165.6	168.2	0	112.2	P245 V246 D251 T252 L253	P245-K249 WeakPolarHBondContact O-CB 3.31Å; P245-K249 WeakPolarHBondContact O-CD 3.49Å; P245-K249 WeakPolarHBondContact O-CG 3.41Å; P245-K249 PolarHBondContact O-N 2.96Å; P245-K249 VanDerWaalsContact O-N 3.15Å; V246-K249 PolarHBondContact O-N 2.66Å; K249-D251 VanDerWaalsContact C-N 3.28Å; K249-D251 PolarHBondContact O-N 2.75Å; K249-T252 PolarHBondContact O-N 3.09Å; K249-T252 PolarHBondContact O-OG1 3.12Å; K249-L253 WeakPolarHBondContact O-CB 3.1Å; K249-L253 VanDerWaalsContact O-CG 3.22Å; K249-L253 WeakPolarHBondContact O-CG 3.49Å; K249-L253 PolarHBondContact O-N 2.83Å
250	V	68.8	Low	63.3	Low	16 Å²	16	68.7 Å²	68.7	10%	0.097	38%	0.375	C	S	.	.	H	α-helix	trans	-64	-36	178.1	171.3	0	0	0	0	111	I202 V246 I247 L253 S254 V436	I202-V250 HydrophobicContact CD1-CG1 4.22Å; I202-V250 HydrophobicContact CD1-CG2 4.22Å; V246-V250 WeakPolarHBondContact O-CG2 3.44Å; V246-V250 PolarHBondContact O-N 2.69Å; I247-V250 PolarHBondContact O-N 2.67Å; V250-L253 PolarHBondContact O-N 2.86Å; V250-S254 WeakPolarHBondContact O-CB 3.14Å; V250-S254 PolarHBondContact O-N 3.1Å; V250-V436 HydrophobicContact CG1-CG1 4.33Å; V250-V436 HydrophobicContact CG1-CG2 4.44Å
251	D	63.7	Low	61.8	Low	23 Å²	23	76.7 Å²	76.7	12%	0.123	41%	0.409	C	S	.	.	H	α-helix	trans	-68.9	-36.8	176.5	-172.5	50.5	0	0	0	113.2	I247 E248 K249 L255 L267 K300	I247-D251 VanDerWaalsContact O-CB 3.29Å; I247-D251 WeakPolarHBondContact O-CB 3.31Å; I247-D251 PolarHBondContact O-N 3.43Å; E248-D251 PolarHBondContact O-N 3.31Å; K249-D251 VanDerWaalsContact C-N 3.28Å; K249-D251 PolarHBondContact O-N 2.75Å; D251-L255 PolarHBondContact O-N 3.1Å; D251-L267 HydrophobicContact CB-CD2 4.13Å; D251-L267 WeakPolarHBondContact OD1-CD2 3.26Å; D251-K300 WeakPolarHBondContact OD1-CD 3.42Å; D251-K300 WeakPolarHBondContact OD1-CE 3.23Å; D251-K300 IonicContact OD1-NZ 3.04Å; D251-K300 PolarHBondContact OD1-NZ 3.34Å; D251-K300 IonicContact OD2-NZ 2.84Å; D251-K300 PolarHBondContact OD2-NZ 3.15Å
252	T	54.8	Low	60.2	Low	64 Å²	64	81.7 Å²	81.7	39%	0.393	43%	0.428	S	S	.	.	H	α-helix	trans	-73.2	-38.8	171.5	56.4	0	0	0	0	112.6	E248 K249 S254 L255 L256	E248-T252 WeakPolarHBondContact O-CG2 3.42Å; E248-T252 PolarHBondContact O-N 3Å; E248-T252 PolarHBondContact O-OG1 3.01Å; K249-T252 PolarHBondContact O-N 3.09Å; K249-T252 PolarHBondContact O-OG1 3.12Å; T252-S254 VanDerWaalsContact C-N 3.28Å; T252-S254 PolarHBondContact O-N 2.9Å; T252-L255 WeakPolarHBondContact O-CB 3.21Å; T252-L255 PolarHBondContact O-N 2.87Å; T252-L256 PolarHBondContact O-N 2.84Å; T252-L256 VanDerWaalsContact O-N 3.09Å
253	L	52.8	Low	58.5	Low	98 Å²	98	82 Å²	82	51%	0.513	43%	0.432	S	S	.	.	H	α-helix	trans	-63.4	-34.2	173	-71.6	170.5	0	0	0	111.9	K249 V250 L255 L256 A257	K249-L253 WeakPolarHBondContact O-CB 3.1Å; K249-L253 VanDerWaalsContact O-CG 3.22Å; K249-L253 WeakPolarHBondContact O-CG 3.49Å; K249-L253 PolarHBondContact O-N 2.83Å; V250-L253 PolarHBondContact O-N 2.86Å; L253-L255 PolarHBondContact O-N 2.88Å; L253-L256 PolarHBondContact O-N 2.9Å; L253-A257 PolarHBondContact O-N 3.26Å
254	S	53.5	Low	56.7	Low	50 Å²	50	81.5 Å²	81.5	35%	0.35	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.8	172.3	-169.1	0	0	0	0	113.8	V250 T252	V250-S254 WeakPolarHBondContact O-CB 3.14Å; V250-S254 PolarHBondContact O-N 3.1Å; T252-S254 VanDerWaalsContact C-N 3.28Å; T252-S254 PolarHBondContact O-N 2.9Å
255	L	45.7	Very low	55.5	Low	112 Å²	112	83.2 Å²	83.2	59%	0.586	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-29	171.5	-70.3	173.5	0	0	0	112.8	D251 T252 L253 A257	D251-L255 PolarHBondContact O-N 3.1Å; T252-L255 WeakPolarHBondContact O-CB 3.21Å; T252-L255 PolarHBondContact O-N 2.87Å; L253-L255 PolarHBondContact O-N 2.88Å; L255-A257 VanDerWaalsContact C-N 3.29Å
256	L	40.4	Very low	54.2	Low	133 Å²	133	83 Å²	83	70%	0.696	43%	0.433	S	S	*	.	S	Bend	trans	-84.3	-0.8	179.5	-67.7	168.3	0	0	0	113.6	T252 L253 D258	T252-L256 PolarHBondContact O-N 2.84Å; T252-L256 VanDerWaalsContact O-N 3.09Å; L253-L256 PolarHBondContact O-N 2.9Å; L256-D258 PolarHBondContact O-N 3.03Å
257	A	39.6	Very low	53.1	Low	42 Å²	42	83.8 Å²	83.8	35%	0.347	44%	0.437	S	S	.	.			trans	-82.2	40.2	-174.3	0	0	0	0	0	114.8	L253 L255 N259	L253-A257 PolarHBondContact O-N 3.26Å; L255-A257 VanDerWaalsContact C-N 3.29Å; A257-N259 PolarHBondContact O-N 3.5Å
258	D	39.7	Very low	52.1	Low	151 Å²	151	83.6 Å²	83.6	81%	0.807	44%	0.436	S	S	*	.			trans	-59.2	-5.3	176.1	-86.7	-32.7	0	0	0	114.3	L256 N260	L256-D258 PolarHBondContact O-N 3.03Å; D258-N260 PolarHBondContact O-N 2.75Å
259	N	35.8	Very low	51.1	Low	141 Å²	141	77.5 Å²	77.5	75%	0.754	41%	0.408	S	S	*	.	S	Bend	trans	-96.1	69.2	179.5	-74.5	-67	0	0	0	113.3	A257 K261	A257-N259 PolarHBondContact O-N 3.5Å; N259-K261 PolarHBondContact O-N 3Å
260	N	42.7	Very low	50.1	Low	156 Å²	156	72.9 Å²	72.9	83%	0.834	39%	0.388	S	S	*	.	S	Bend	trans	54	5.1	153.7	-79.9	-29.3	0	0	0	120.6	D258	D258-N260 PolarHBondContact O-N 2.75Å
261	K	45.1	Very low	49.6	Very low	177 Å²	177	72.1 Å²	72.1	77%	0.77	38%	0.383	S	S	*	.	S	Bend	trans	-92.1	-25.4	-179.7	-97.1	-175.8	174	-179.7	0	115.7	N259	N259-K261 PolarHBondContact O-N 3Å
262	W	47.1	Very low	49.3	Very low	106 Å²	106	71.1 Å²	71.1	40%	0.402	38%	0.378	S	S	.	.	S	Bend	trans	-142.4	50	-172	-57.7	132	0	0	0	113.9	N264 Q265 K426	W262-N264 VanDerWaalsContact C-N 3.35Å; W262-N264 PolarHBondContact O-N 3.16Å; W262-N264 VanDerWaalsContact O-N 3.12Å; W262-Q265 VanDerWaalsContact CD2-OE1 3.29Å; W262-Q265 VanDerWaalsContact CE3-CD 3.43Å; W262-K426 HydrophobicContact CH2-CD 4.25Å; W262-K426 HydrophobicContact CZ2-CD 3.92Å
263	P	42.9	Very low	49.5	Very low	92 Å²	92	69.9 Å²	69.9	60%	0.597	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.9	-161.5	22.8	-34.6	0	0	0	116.7	R299	P263-R299 PolarHBondContact O-NH1 3.03Å; P263-R299 VanDerWaalsContact O-NH1 3.12Å
264	N	44.2	Very low	50.2	Low	80 Å²	80	66.8 Å²	66.8	43%	0.428	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-8.4	-169.1	-71.7	-0.8	0	0	0	115.3	W262 D432	W262-N264 VanDerWaalsContact C-N 3.35Å; W262-N264 PolarHBondContact O-N 3.16Å; W262-N264 VanDerWaalsContact O-N 3.12Å; N264-D432 HydrophobicContact CB-CB 3.75Å; N264-D432 VanDerWaalsContact CB-OD2 3.23Å; N264-D432 WeakPolarHBondContact CB-OD2 3.41Å; N264-D432 PolarHBondContact ND2-OD2 3.26Å
265	Q	52.5	Low	51.4	Low	38 Å²	38	64.4 Å²	64.4	18%	0.178	34%	0.335	C	S	.	.			trans	-76	143.2	-147.2	-70.3	-179.3	-18.3	0	0	115.9	W262 D432 V434	W262-Q265 VanDerWaalsContact CD2-OE1 3.29Å; W262-Q265 VanDerWaalsContact CE3-CD 3.43Å; Q265-D432 CarbonylContact C-O 3.56Å; Q265-D432 VanDerWaalsContact CA-O 3.28Å; Q265-D432 WeakPolarHBondContact CA-O 3.45Å; Q265-V434 HydrophobicContact CG-CG2 4.14Å; Q265-V434 VanDerWaalsContact NE2-CG2 3.32Å
266	I	54	Low	53	Low	34 Å²	34	59 Å²	59	17%	0.174	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.6	170.8	-62.4	178.6	0	0	0	107.7	R299 D432 I433 V434 L579	I266-R299 CarbonylContact C-O 3.59Å; I266-R299 VanDerWaalsContact CA-O 3.29Å; I266-R299 WeakPolarHBondContact CA-O 3.45Å; I266-R299 WeakPolarHBondContact CG2-O 3.04Å; I266-D432 PolarHBondContact N-O 2.76Å; I266-I433 HydrophobicContact CB-CG1 3.94Å; I266-I433 HydrophobicContact CD1-CG1 4.03Å; I266-I433 HydrophobicContact CG1-CG1 4.43Å; I266-I433 HydrophobicContact CG2-CG1 4.32Å; I266-V434 PolarHBondContact O-N 2.86Å; I266-V434 VanDerWaalsContact O-O 3.06Å; I266-L579 HydrophobicContact CD1-CD1 3.97Å; I266-L579 HydrophobicContact CD1-CD2 4.39Å; I266-L579 HydrophobicContact CG2-CD1 3.79Å; I266-L579 HydrophobicContact CG2-CD2 3.55Å; I266-L579 HydrophobicContact CG2-CG 4.32Å
267	L	57.1	Low	55.1	Low	16 Å²	16	52.7 Å²	52.7	8%	0.084	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	118.2	177.5	-165.4	82.1	0	0	0	109.1	D251 A269 R299 L301 V436	D251-L267 HydrophobicContact CB-CD2 4.13Å; D251-L267 WeakPolarHBondContact OD1-CD2 3.26Å; L267-A269 HydrophobicContact CD2-CB 4.45Å; L267-R299 PolarHBondContact N-O 2.95Å; L267-L301 PolarHBondContact O-N 2.86Å; L267-L301 VanDerWaalsContact O-N 3.09Å; L267-V436 HydrophobicContact CD1-CG2 3.73Å
268	T	57.6	Low	57.4	Low	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	111.8	168.8	-41.5	0	0	0	0	109.2	F270 L301 F303 V434 V436 I575	T268-F270 HydrophobicContact CG2-CD2 3.56Å; T268-F270 HydrophobicContact CG2-CE2 3.25Å; T268-F270 HydrophobicContact CG2-CZ 3.98Å; T268-L301 VanDerWaalsContact CA-O 3.3Å; T268-L301 WeakPolarHBondContact CA-O 3.21Å; T268-L301 HydrophobicContact CG2-CB 4.22Å; T268-L301 HydrophobicContact CG2-CD2 4.2Å; T268-L301 HydrophobicContact CG2-CG 4.34Å; T268-L301 WeakPolarHBondContact CG2-O 3.09Å; T268-F303 HydrophobicContact CG2-CD2 3.8Å; T268-F303 HydrophobicContact CG2-CE2 3.59Å; T268-V434 PolarHBondContact N-O 3.35Å; T268-V436 PolarHBondContact O-N 3Å; T268-I575 HydrophobicContact CG2-CD1 4.17Å; T268-I575 HydrophobicContact CG2-CG1 4.28Å
269	A	58.3	Low	59.8	Low	1 Å²	1	43.5 Å²	43.5	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143	-171.2	0	0	0	0	0	112	I247 L267 L301 F302 F303	I247-A269 HydrophobicContact CG2-CB 3.7Å; L267-A269 HydrophobicContact CD2-CB 4.45Å; A269-L301 PolarHBondContact N-O 2.92Å; A269-F302 HydrophobicContact CB-CD1 3.6Å; A269-F302 HydrophobicContact CB-CE1 3.75Å; A269-F302 WeakPolarHBondContact O-CA 2.98Å; A269-F303 PolarHBondContact O-N 2.91Å; A269-F303 VanDerWaalsContact O-N 3.1Å
270	F	56.9	Low	62.3	Low	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)		-172.1	131.5	-127.5	-121.6	-30.5	0	0	0	113.8	T268 V275 H276 L279 F303 M435 V436 C437 R438 L571 I575	T268-F270 HydrophobicContact CG2-CD2 3.56Å; T268-F270 HydrophobicContact CG2-CE2 3.25Å; T268-F270 HydrophobicContact CG2-CZ 3.98Å; F270-V275 HydrophobicContact CD1-CG1 4.37Å; F270-V275 HydrophobicContact CE1-CG1 4.28Å; F270-H276 WeakPolarHBondContact CB-CE1 3Å; F270-H276 VanDerWaalsContact CB-NE2 3.33Å; F270-H276 WeakPolarHBondContact CB-NE2 3.29Å; F270-H276 AromaticContact CD1-CD2 3.77Å; F270-H276 AromaticContact CD1-CE1 3.5Å; F270-H276 VanDerWaalsContact CD1-CE1 3.5Å; F270-H276 WeakPolarHBondContact CD1-CE1 3.49Å; F270-H276 AromaticContact CD1-CG 3.86Å; F270-H276 AromaticContact CD1-ND1 3.67Å; F270-H276 AromaticContact CD1-NE2 3.57Å; F270-H276 AromaticContact CD2-CD2 3.88Å; F270-H276 AromaticContact CD2-NE2 3.41Å; F270-H276 WeakPolarHBondContact CD2-NE2 3.4Å; F270-H276 AromaticContact CE1-CD2 4Å; F270-H276 AromaticContact CG-CD2 3.74Å; F270-H276 AromaticContact CG-CE1 3.31Å; F270-H276 WeakPolarHBondContact CG-CE1 3.26Å; F270-H276 AromaticContact CG-ND1 3.96Å; F270-H276 AromaticContact CG-NE2 3.13Å; F270-H276 WeakPolarHBondContact CG-NE2 3.33Å; F270-L279 HydrophobicContact CE1-CD1 3.83Å; F270-L279 HydrophobicContact CZ-CD1 4.12Å; F270-F303 HydrophobicContact CD1-CB 3.71Å; F270-F303 HydrophobicContact CD1-CD2 4.02Å; F270-F303 HydrophobicContact CD1-CG 4.11Å; F270-F303 HydrophobicContact CE1-CB 3.49Å; F270-F303 VanDerWaalsContact CE1-CB 3.49Å; F270-F303 HydrophobicContact CE1-CD1 4.2Å; F270-F303 AromaticContact CE1-CD2 3.37Å; F270-F303 HydrophobicContact CE1-CD2 3.37Å; F270-F303 HydrophobicContact CE1-CE2 4.08Å; F270-F303 AromaticContact CE1-CG 3.44Å; F270-F303 HydrophobicContact CE1-CG 3.44Å; F270-F303 VanDerWaalsContact CE1-CG 3.44Å; F270-F303 HydrophobicContact CE2-CD2 4.02Å; F270-F303 HydrophobicContact CE2-CE2 4.21Å; F270-F303 HydrophobicContact CZ-CB 4.38Å; F270-F303 AromaticContact CZ-CD2 3.35Å; F270-F303 HydrophobicContact CZ-CD2 3.35Å; F270-F303 AromaticContact CZ-CE2 3.61Å; F270-F303 HydrophobicContact CZ-CE2 3.61Å; F270-F303 AromaticContact CZ-CG 3.87Å; F270-F303 HydrophobicContact CZ-CG 3.87Å; F270-F303 HydrophobicContact CZ-CZ 4.32Å; F270-M435 HydrophobicContact CD2-CG 3.42Å; F270-M435 VanDerWaalsContact CD2-CG 3.42Å; F270-M435 HydrophobicContact CD2-SD 4.01Å; F270-M435 HydrophobicContact CE2-CG 3.72Å; F270-M435 HydrophobicContact CE2-SD 3.97Å; F270-V436 WeakPolarHBondContact CB-O 3.33Å; F270-C437 WeakPolarHBondContact O-CA 3.37Å; F270-R438 PolarHBondContact O-N 3.01Å; F270-L571 HydrophobicContact CZ-CD1 3.83Å; F270-I575 HydrophobicContact CE2-CD1 3.9Å; F270-I575 HydrophobicContact CZ-CD1 4.24Å
271	E	57.1	Low	64.5	Low	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.4	179.5	-84.1	-167.9	162.2	0	0	116.1	V239 T240 T241 V275 H276 K305 R438	V239-E271 VanDerWaalsContact C-OE1 3.3Å; T240-E271 VanDerWaalsContact CA-OE1 3.23Å; T240-E271 WeakPolarHBondContact CA-OE1 3.34Å; T241-E271 PolarHBondContact N-OE1 3.26Å; T241-E271 WeakPolarHBondContact OG1-CG 3.33Å; E271-V275 HydrophobicContact CB-CG2 4.36Å; E271-H276 VanDerWaalsContact C-ND1 3.31Å; E271-H276 PolarHBondContact O-N 2.95Å; E271-H276 PolarHBondContact O-ND1 3.26Å; E271-K305 IonicContact OE1-NZ 2.82Å; E271-K305 IonicContact OE2-NZ 3.92Å; E271-K305 PolarHBondContact OE2-NZ 3.38Å; E271-R438 VanDerWaalsContact CD-NH2 3.28Å; E271-R438 IonicContact OE1-CZ 2.74Å; E271-R438 IonicContact OE1-NH1 3.87Å; E271-R438 PolarHBondContact OE1-NH1 3.38Å; E271-R438 IonicContact OE1-NH2 3.35Å; E271-R438 PolarHBondContact OE1-NH2 3.29Å; E271-R438 IonicContact OE2-NH2 2.65Å
272	E	57.9	Low	66.6	Low	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-31.6	-174.5	-155.9	168.4	89.1	0	0	115.8	D274 P277 C437 R438 C439 E440 Q503 L506 A507	E272-D274 PolarHBondContact O-N 2.72Å; E272-P277 WeakPolarHBondContact O-CD 3.36Å; E272-P277 WeakPolarHBondContact O-CG 3.29Å; E272-C437 WeakPolarHBondContact CB-SG 3.49Å; E272-C437 PolarHBondContact OE2-SG 2.71Å; E272-R438 WeakPolarHBondContact CB-O 3.41Å; E272-C439 VanDerWaalsContact CD-CA 3.44Å; E272-C439 VanDerWaalsContact OE1-CA 3.29Å; E272-C439 WeakPolarHBondContact OE1-CA 3.38Å; E272-C439 WeakPolarHBondContact OE2-CA 3.29Å; E272-C439 WeakPolarHBondContact OE2-CB 3.23Å; E272-C439 PolarHBondContact OE2-SG 3.04Å; E272-E440 PolarHBondContact OE1-N 3.27Å; E272-Q503 HydrophobicContact CG-CG 4.03Å; E272-L506 HydrophobicContact CG-CB 4.16Å; E272-L506 HydrophobicContact CG-CD1 4.13Å; E272-L506 WeakPolarHBondContact OE2-CB 3.49Å; E272-A507 WeakPolarHBondContact OE1-CB 3.48Å; E272-A507 PolarHBondContact OE1-N 2.88Å; E272-A507 PolarHBondContact OE2-N 2.8Å
273	Q	58.3	Low	68.6	Low	38 Å²	38	18.4 Å²	18.4	18%	0.178	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-48.4	-168.7	-77.9	-176.7	0.2	0	0	112.1	E440	Q273-E440 HydrophobicContact CG-CG 4.3Å; Q273-E440 PolarHBondContact NE2-OE2 2.8Å
274	D	67.9	Low	70.8	Confident	33 Å²	33	16.2 Å²	16.2	18%	0.176	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-34.4	-173.8	-66	-75.6	0	0	0	114.4	E272 T278	E272-D274 PolarHBondContact O-N 2.72Å; D274-T278 WeakPolarHBondContact O-CB 3.3Å; D274-T278 PolarHBondContact O-N 3.12Å; D274-T278 VanDerWaalsContact O-N 3.12Å; D274-T278 PolarHBondContact O-OG1 3.02Å
275	V	78.3	Confident	72.8	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-68.7	-67.9	-170.3	-178.7	0	0	0	0	112.4	F270 E271 T278 L279 V291 F303	F270-V275 HydrophobicContact CD1-CG1 4.37Å; F270-V275 HydrophobicContact CE1-CG1 4.28Å; E271-V275 HydrophobicContact CB-CG2 4.36Å; V275-T278 WeakPolarHBondContact O-CB 3.39Å; V275-T278 PolarHBondContact O-N 3.42Å; V275-T278 VanDerWaalsContact O-N 3.08Å; V275-L279 HydrophobicContact CG1-CD1 4.27Å; V275-L279 HydrophobicContact CG1-CG 4.49Å; V275-L279 WeakPolarHBondContact O-CG 3.29Å; V275-L279 PolarHBondContact O-N 3.26Å; V275-V291 HydrophobicContact CG1-CG1 3.81Å; V275-V291 HydrophobicContact CG1-CG2 4.25Å; V275-F303 HydrophobicContact CG1-CB 3.9Å
276	H	80.5	Confident	74.4	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.9	-44.4	-179.1	-52.3	76.6	0	0	0	113.5	F270 E271 T278 L279 M280 M435 C437 L506	F270-H276 WeakPolarHBondContact CB-CE1 3Å; F270-H276 VanDerWaalsContact CB-NE2 3.33Å; F270-H276 WeakPolarHBondContact CB-NE2 3.29Å; F270-H276 AromaticContact CD1-CD2 3.77Å; F270-H276 AromaticContact CD1-CE1 3.5Å; F270-H276 VanDerWaalsContact CD1-CE1 3.5Å; F270-H276 WeakPolarHBondContact CD1-CE1 3.49Å; F270-H276 AromaticContact CD1-CG 3.86Å; F270-H276 AromaticContact CD1-ND1 3.67Å; F270-H276 AromaticContact CD1-NE2 3.57Å; F270-H276 AromaticContact CD2-CD2 3.88Å; F270-H276 AromaticContact CD2-NE2 3.41Å; F270-H276 WeakPolarHBondContact CD2-NE2 3.4Å; F270-H276 AromaticContact CE1-CD2 4Å; F270-H276 AromaticContact CG-CD2 3.74Å; F270-H276 AromaticContact CG-CE1 3.31Å; F270-H276 WeakPolarHBondContact CG-CE1 3.26Å; F270-H276 AromaticContact CG-ND1 3.96Å; F270-H276 AromaticContact CG-NE2 3.13Å; F270-H276 WeakPolarHBondContact CG-NE2 3.33Å; E271-H276 VanDerWaalsContact C-ND1 3.31Å; E271-H276 PolarHBondContact O-N 2.95Å; E271-H276 PolarHBondContact O-ND1 3.26Å; H276-T278 PolarHBondContact O-N 3.24Å; H276-L279 PolarHBondContact O-N 3.33Å; H276-L279 VanDerWaalsContact O-N 3.16Å; H276-M280 WeakPolarHBondContact O-CB 3.25Å; H276-M280 WeakPolarHBondContact O-CG 3.44Å; H276-M280 PolarHBondContact O-N 2.98Å; H276-M435 VanDerWaalsContact CD2-SD 3.59Å; H276-C437 PolarHBondContact CE1-SG 3.21Å; H276-L506 HydrophobicContact CB-CD1 4.09Å
277	P	84.6	Confident	75.7	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61	-34.2	179.4	-22.3	34.3	0	0	0	111.3	E272 T281 K499 I502 Q503	E272-P277 WeakPolarHBondContact O-CD 3.36Å; E272-P277 WeakPolarHBondContact O-CG 3.29Å; P277-T281 VanDerWaalsContact O-CB 3.3Å; P277-T281 WeakPolarHBondContact O-CB 3.29Å; P277-T281 VanDerWaalsContact O-CG2 3.26Å; P277-T281 WeakPolarHBondContact O-CG2 3.41Å; P277-T281 PolarHBondContact O-N 3.38Å; P277-T281 VanDerWaalsContact O-N 3.08Å; P277-T281 PolarHBondContact O-OG1 3.32Å; P277-K499 HydrophobicContact CB-CB 3.72Å; P277-K499 HydrophobicContact CB-CG 3.99Å; P277-I502 HydrophobicContact CB-CB 4.45Å; P277-I502 HydrophobicContact CB-CG2 4.34Å; P277-I502 HydrophobicContact CG-CG2 4.44Å; P277-Q503 HydrophobicContact CG-CB 4.29Å
278	T	86.8	Confident	77.1	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-67.4	-46.2	173.2	-59.4	0	0	0	0	112.4	D274 V275 H276 T281 C282 W289 K499	D274-T278 WeakPolarHBondContact O-CB 3.3Å; D274-T278 PolarHBondContact O-N 3.12Å; D274-T278 VanDerWaalsContact O-N 3.12Å; D274-T278 PolarHBondContact O-OG1 3.02Å; V275-T278 WeakPolarHBondContact O-CB 3.39Å; V275-T278 PolarHBondContact O-N 3.42Å; V275-T278 VanDerWaalsContact O-N 3.08Å; H276-T278 PolarHBondContact O-N 3.24Å; T278-T281 CarbonylContact O-C 3.59Å; T278-T281 PolarHBondContact O-N 3.31Å; T278-C282 PolarHBondContact O-N 3.22Å; T278-W289 HydrophobicContact CG2-CD2 3.37Å; T278-W289 VanDerWaalsContact CG2-CE2 3.41Å; T278-W289 HydrophobicContact CG2-CE3 3.64Å; T278-W289 HydrophobicContact CG2-CG 3.87Å; T278-W289 HydrophobicContact CG2-CH2 3.99Å; T278-W289 HydrophobicContact CG2-CZ2 3.74Å; T278-W289 HydrophobicContact CG2-CZ3 3.95Å; T278-K499 VanDerWaalsContact OG1-CE 3.29Å; T278-K499 WeakPolarHBondContact OG1-CE 3.44Å; T278-K499 PolarHBondContact OG1-NZ 3.2Å
279	L	89.5	Confident	78.5	Confident	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.6	-49.4	176.9	-61.7	-177.2	0	0	0	111.6	F270 V275 H276 T281 C282 W289 V291 F303 I570 L571 I574 L588	F270-L279 HydrophobicContact CE1-CD1 3.83Å; F270-L279 HydrophobicContact CZ-CD1 4.12Å; V275-L279 HydrophobicContact CG1-CD1 4.27Å; V275-L279 HydrophobicContact CG1-CG 4.49Å; V275-L279 WeakPolarHBondContact O-CG 3.29Å; V275-L279 PolarHBondContact O-N 3.26Å; H276-L279 PolarHBondContact O-N 3.33Å; H276-L279 VanDerWaalsContact O-N 3.16Å; L279-T281 VanDerWaalsContact C-N 3.28Å; L279-T281 PolarHBondContact O-N 3.22Å; L279-C282 WeakPolarHBondContact O-CB 3.39Å; L279-C282 PolarHBondContact O-N 3.36Å; L279-C282 PolarHBondContact O-SG 3.42Å; L279-W289 HydrophobicContact CD2-CH2 3.91Å; L279-W289 HydrophobicContact CD2-CZ3 4.01Å; L279-V291 HydrophobicContact CD2-CG2 4.34Å; L279-F303 HydrophobicContact CD1-CD1 3.88Å; L279-F303 HydrophobicContact CD1-CE1 4.04Å; L279-F303 HydrophobicContact CD1-CG 4.45Å; L279-I570 WeakPolarHBondContact O-CG2 3.4Å; L279-L571 HydrophobicContact CB-CD1 3.87Å; L279-L571 HydrophobicContact CD1-CD1 3.64Å; L279-L571 HydrophobicContact CG-CD1 4.42Å; L279-I574 HydrophobicContact CB-CD1 4.49Å; L279-I574 HydrophobicContact CD2-CD1 4.44Å; L279-L588 HydrophobicContact CD2-CD2 3.58Å
280	M	90.2	Very high	79.9	Confident	3 Å²	3	11.7 Å²	11.7	2%	0.015	6%	0.058	C	C	.	.	H	α-helix	trans	-66.7	-24.3	-179.8	-71.8	-168.3	178.8	0	0	113.9	H276 I502 L506 A567 W568 L571	H276-M280 WeakPolarHBondContact O-CB 3.25Å; H276-M280 WeakPolarHBondContact O-CG 3.44Å; H276-M280 PolarHBondContact O-N 2.98Å; M280-I502 HydrophobicContact CB-CD1 3.42Å; M280-I502 VanDerWaalsContact CB-CD1 3.42Å; M280-I502 HydrophobicContact CG-CD1 4.31Å; M280-I502 HydrophobicContact SD-CD1 3.93Å; M280-I502 HydrophobicContact SD-CG2 3.52Å; M280-I502 VanDerWaalsContact SD-CG2 3.52Å; M280-L506 HydrophobicContact CE-CD1 4.42Å; M280-L506 HydrophobicContact CE-CD2 4.17Å; M280-A567 HydrophobicContact CB-CB 3.94Å; M280-A567 HydrophobicContact CG-CB 4.09Å; M280-A567 HydrophobicContact SD-CB 3.85Å; M280-W568 HydrophobicContact CE-CD2 3.92Å; M280-W568 HydrophobicContact CE-CE3 3.49Å; M280-W568 VanDerWaalsContact CE-CE3 3.49Å; M280-W568 HydrophobicContact CE-CH2 3.79Å; M280-W568 HydrophobicContact CE-CZ2 4.18Å; M280-W568 HydrophobicContact CE-CZ3 3.43Å; M280-W568 VanDerWaalsContact CE-CZ3 3.43Å; M280-L571 HydrophobicContact CE-CD2 3.53Å; M280-L571 HydrophobicContact CG-CB 4.28Å; M280-L571 HydrophobicContact CG-CD2 4.42Å
281	T	88.1	Confident	81.4	Confident	1 Å²	1	11.7 Å²	11.7	1%	0.006	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	14.8	179.9	65.1	0	0	0	0	113.8	P277 T278 L279 N283 R284 C495 A498 K499 I502	P277-T281 VanDerWaalsContact O-CB 3.3Å; P277-T281 WeakPolarHBondContact O-CB 3.29Å; P277-T281 VanDerWaalsContact O-CG2 3.26Å; P277-T281 WeakPolarHBondContact O-CG2 3.41Å; P277-T281 PolarHBondContact O-N 3.38Å; P277-T281 VanDerWaalsContact O-N 3.08Å; P277-T281 PolarHBondContact O-OG1 3.32Å; T278-T281 CarbonylContact O-C 3.59Å; T278-T281 PolarHBondContact O-N 3.31Å; L279-T281 VanDerWaalsContact C-N 3.28Å; L279-T281 PolarHBondContact O-N 3.22Å; T281-N283 PolarHBondContact O-N 2.88Å; T281-R284 PolarHBondContact O-N 3.34Å; T281-C495 PolarHBondContact O-SG 3.04Å; T281-C495 PolarHBondContact OG1-SG 3.38Å; T281-A498 HydrophobicContact CG2-CB 3.5Å; T281-A498 VanDerWaalsContact CG2-CB 3.5Å; T281-K499 HydrophobicContact CG2-CG 4.47Å; T281-K499 WeakPolarHBondContact OG1-CG 3.42Å; T281-I502 HydrophobicContact CG2-CD1 3.53Å; T281-I502 HydrophobicContact CG2-CG1 4.44Å
282	C	89.5	Confident	82.9	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-53.4	-32.8	-176.2	69.1	0	0	0	0	112.8	L185 L188 T278 L279 R284 S285 W289	L185-C282 HydrophobicContact CD2-CB 4.26Å; L188-C282 VanDerWaalsContact CD1-SG 3.59Å; T278-C282 PolarHBondContact O-N 3.22Å; L279-C282 WeakPolarHBondContact O-CB 3.39Å; L279-C282 PolarHBondContact O-N 3.36Å; L279-C282 PolarHBondContact O-SG 3.42Å; C282-R284 PolarHBondContact O-N 3.06Å; C282-S285 PolarHBondContact O-N 3.44Å; C282-S285 VanDerWaalsContact O-N 3.12Å; C282-S285 PolarHBondContact O-OG 3.18Å; C282-W289 HydrophobicContact CB-CH2 4.38Å; C282-W289 HydrophobicContact CB-CZ2 3.74Å
283	N	89.7	Confident	84.4	Confident	48 Å²	48	11.9 Å²	11.9	26%	0.257	6%	0.059	S	C	.	.	G	3₁₀ helix	trans	-65.8	-16	176.7	68.4	-12.5	0	0	0	115	T281	T281-N283 PolarHBondContact O-N 2.88Å
284	R	88	Confident	85.8	Confident	47 Å²	47	12.5 Å²	12.5	18%	0.177	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-99.4	-13.3	172.7	-61.8	-173.7	-176	-148.2	-0.1	113.3	T281 C282 S494 C495 I560 N561	T281-R284 PolarHBondContact O-N 3.34Å; C282-R284 PolarHBondContact O-N 3.06Å; R284-S494 WeakPolarHBondContact CD-O 3.4Å; R284-S494 PolarHBondContact NH1-O 3.45Å; R284-S494 PolarHBondContact NH1-OG 2.93Å; R284-C495 HydrophobicContact CB-CB 3.76Å; R284-I560 PolarHBondContact NH1-O 3.38Å; R284-I560 PolarHBondContact NH2-O 3.49Å; R284-N561 PolarHBondContact NH2-O 2.68Å
285	S	86.4	Confident	86.8	Confident	9 Å²	9	12.3 Å²	12.3	6%	0.063	6%	0.059	C	C	.	.			trans	-73.7	127.3	-173.3	68.4	0	0	0	0	112.4	C282 W289 K590	C282-S285 PolarHBondContact O-N 3.44Å; C282-S285 VanDerWaalsContact O-N 3.12Å; C282-S285 PolarHBondContact O-OG 3.18Å; S285-W289 PolarHBondContact OG-NE1 3.01Å; S285-K590 VanDerWaalsContact O-CE 3.29Å; S285-K590 WeakPolarHBondContact O-CE 3.28Å
286	V	85.1	Confident	87.1	Confident	36 Å²	36	16.1 Å²	16.1	22%	0.218	8%	0.082	C	C	.	.			trans	-104.2	-40	-177.3	175.3	0	0	0	0	112.4	R167 E335 T336	R167-V286 VanDerWaalsContact CZ-CG1 3.5Å; R167-V286 VanDerWaalsContact NH2-CG1 3.35Å; V286-E335 HydrophobicContact CB-CB 4.29Å; V286-E335 HydrophobicContact CB-CG 4.47Å; V286-E335 HydrophobicContact CG2-CG 4.49Å; V286-T336 HydrophobicContact CG2-CG2 3.93Å
287	Y	82	Confident	87	Confident	19 Å²	19	18.1 Å²	18.1	8%	0.075	10%	0.103	C	C	.	.	S	Bend	trans	-73.8	167.5	171.1	-67.3	-70.4	0	0	0	111.2	R333 E335 K590	Y287-R333 HydrophobicContact CD2-CB 4.49Å; Y287-R333 HydrophobicContact CE2-CB 3.75Å; Y287-R333 VanDerWaalsContact CE2-CD 3.47Å; Y287-R333 HydrophobicContact CE2-CG 4.26Å; Y287-E335 HydrophobicContact CD2-CB 3.64Å; Y287-E335 HydrophobicContact CE2-CB 3.49Å; Y287-E335 VanDerWaalsContact CE2-CB 3.49Å; Y287-K590 VanDerWaalsContact O-CG 3.23Å; Y287-K590 WeakPolarHBondContact O-CG 3.34Å
288	S	86.4	Confident	86.4	Confident	3 Å²	3	22.5 Å²	22.5	2%	0.021	13%	0.133	C	C	.	.			trans	-64.6	170.6	164.1	-159.8	0	0	0	0	110.2	S170 Q330 K590	S170-S288 PolarHBondContact N-OG 2.81Å; S170-S288 VanDerWaalsContact N-OG 3.14Å; S170-S288 PolarHBondContact OG-OG 2.87Å; S288-Q330 VanDerWaalsContact C-OE1 3.22Å; S288-Q330 PolarHBondContact O-OE1 3.09Å; S288-K590 WeakPolarHBondContact CA-O 3.27Å; S288-K590 WeakPolarHBondContact CB-O 3.4Å; S288-K590 PolarHBondContact OG-O 2.85Å
289	W	87.2	Confident	85.7	Confident	6 Å²	6	28.2 Å²	28.2	2%	0.023	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176	159.5	167.5	51.3	-94.2	0	0	0	107.3	S170 T278 L279 C282 S285 V291 L311 M589 K590 L597	S170-W289 VanDerWaalsContact OG-C 3.3Å; T278-W289 HydrophobicContact CG2-CD2 3.37Å; T278-W289 VanDerWaalsContact CG2-CE2 3.41Å; T278-W289 HydrophobicContact CG2-CE3 3.64Å; T278-W289 HydrophobicContact CG2-CG 3.87Å; T278-W289 HydrophobicContact CG2-CH2 3.99Å; T278-W289 HydrophobicContact CG2-CZ2 3.74Å; T278-W289 HydrophobicContact CG2-CZ3 3.95Å; L279-W289 HydrophobicContact CD2-CH2 3.91Å; L279-W289 HydrophobicContact CD2-CZ3 4.01Å; C282-W289 HydrophobicContact CB-CH2 4.38Å; C282-W289 HydrophobicContact CB-CZ2 3.74Å; S285-W289 PolarHBondContact OG-NE1 3.01Å; W289-V291 HydrophobicContact CE3-CG2 3.97Å; W289-V291 HydrophobicContact CZ3-CB 4.41Å; W289-V291 HydrophobicContact CZ3-CG2 3.81Å; W289-L311 HydrophobicContact CB-CD2 4.27Å; W289-M589 WeakPolarHBondContact O-CA 3.14Å; W289-K590 HydrophobicContact CD2-CB 3.88Å; W289-K590 HydrophobicContact CG-CB 3.93Å; W289-K590 HydrophobicContact CZ2-CB 4.18Å; W289-K590 PolarHBondContact O-N 3.32Å; W289-L597 HydrophobicContact CH2-CD1 3.47Å; W289-L597 VanDerWaalsContact CH2-CD1 3.47Å; W289-L597 HydrophobicContact CH2-CD2 4.42Å; W289-L597 HydrophobicContact CZ2-CD1 3.67Å; W289-L597 HydrophobicContact CZ3-CD1 4.11Å
290	D	87.8	Confident	85.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145	177	51.2	-106.7	0	0	0	112.2	S170 R306 S309 L311 L587 L588 M589	S170-D290 WeakPolarHBondContact CB-OD1 3.41Å; S170-D290 PolarHBondContact OG-OD1 3.02Å; D290-R306 VanDerWaalsContact CG-NH2 3.3Å; D290-R306 IonicContact OD1-CZ 3.87Å; D290-R306 IonicContact OD1-NE 3.75Å; D290-R306 IonicContact OD1-NH2 3.77Å; D290-R306 PolarHBondContact OD1-NH2 3.4Å; D290-R306 IonicContact OD2-CZ 2.73Å; D290-R306 IonicContact OD2-NE 3.86Å; D290-R306 PolarHBondContact OD2-NE 3.02Å; D290-R306 IonicContact OD2-NH2 3.62Å; D290-R306 PolarHBondContact OD2-NH2 2.88Å; D290-S309 PolarHBondContact OD2-OG 2.79Å; D290-L311 WeakPolarHBondContact O-CD1 3.5Å; D290-L587 HydrophobicContact CB-CD1 4.03Å; D290-L587 HydrophobicContact CB-CD2 4.18Å; D290-L587 HydrophobicContact CB-CG 4.16Å; D290-L588 WeakPolarHBondContact CA-O 3.48Å; D290-M589 HydrophobicContact CB-CG 4.45Å
291	V	87.9	Confident	85.2	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.3	173.4	171.3	0	0	0	0	107.6	V275 L279 W289 V293 F303 D304 L311 L588	V275-V291 HydrophobicContact CG1-CG1 3.81Å; V275-V291 HydrophobicContact CG1-CG2 4.25Å; L279-V291 HydrophobicContact CD2-CG2 4.34Å; W289-V291 HydrophobicContact CE3-CG2 3.97Å; W289-V291 HydrophobicContact CZ3-CB 4.41Å; W289-V291 HydrophobicContact CZ3-CG2 3.81Å; V291-V293 HydrophobicContact CG1-CG2 4.5Å; V291-F303 HydrophobicContact CG1-CB 4.18Å; V291-F303 HydrophobicContact CG1-CD1 3.95Å; V291-D304 CarbonylContact C-O 3.54Å; V291-D304 WeakPolarHBondContact CG1-O 3.42Å; V291-L311 HydrophobicContact CG2-CD1 4.22Å; V291-L588 PolarHBondContact N-O 3.32Å; V291-L588 PolarHBondContact O-N 3.29Å
292	V	88.5	Confident	85.2	Confident	6 Å²	6	30.9 Å²	30.9	4%	0.036	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	142.6	174.6	-159.6	0	0	0	0	108.5	H294 F303 D304 R306 K585 L587	V292-H294 VanDerWaalsContact CG1-NE2 3.34Å; V292-H294 WeakPolarHBondContact CG1-NE2 3.44Å; V292-F303 WeakPolarHBondContact O-CA 3.44Å; V292-D304 PolarHBondContact N-O 2.85Å; V292-D304 PolarHBondContact O-N 3.4Å; V292-R306 HydrophobicContact CG2-CG 3.43Å; V292-R306 VanDerWaalsContact CG2-CG 3.43Å; V292-K585 HydrophobicContact CG1-CG 4.05Å; V292-L587 HydrophobicContact CB-CD1 4.44Å; V292-L587 HydrophobicContact CG2-CD1 3.93Å
293	V	89.9	Confident	85.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	109.9	-179.3	-169.7	0	0	0	0	108.7	V291 L301 F302 F303 C578 Y586 L588	V291-V293 HydrophobicContact CG1-CG2 4.5Å; V293-L301 HydrophobicContact CG1-CD1 3.51Å; V293-L301 HydrophobicContact CG1-CG 4.2Å; V293-F302 CarbonylContact C-O 3.51Å; V293-F302 WeakPolarHBondContact CA-O 3.43Å; V293-F303 HydrophobicContact CB-CD1 4.41Å; V293-F303 HydrophobicContact CB-CE1 4.47Å; V293-F303 HydrophobicContact CG1-CD1 4.13Å; V293-F303 HydrophobicContact CG1-CE1 3.95Å; V293-F303 HydrophobicContact CG1-CE2 4.48Å; V293-F303 HydrophobicContact CG1-CG 4.47Å; V293-F303 HydrophobicContact CG1-CZ 4.14Å; V293-F303 HydrophobicContact CG2-CD1 3.58Å; V293-F303 HydrophobicContact CG2-CE1 3.66Å; V293-F303 HydrophobicContact CG2-CG 4.47Å; V293-C578 HydrophobicContact CG1-CB 4.45Å; V293-Y586 PolarHBondContact N-O 2.78Å; V293-Y586 PolarHBondContact O-N 2.93Å; V293-L588 HydrophobicContact CG2-CB 4.33Å
294	H	88.3	Confident	84.8	Confident	52 Å²	52	28.9 Å²	28.9	24%	0.241	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	110.9	-179.6	-69.5	-127.7	0	0	0	108.8	V292 F302 K585	V292-H294 VanDerWaalsContact CG1-NE2 3.34Å; V292-H294 WeakPolarHBondContact CG1-NE2 3.44Å; H294-F302 HydrophobicContact CB-CB 4.28Å; H294-F302 PolarHBondContact N-O 3.31Å; H294-F302 PolarHBondContact O-N 3.25Å; H294-K585 VanDerWaalsContact CE1-CE 3.47Å; H294-K585 WeakPolarHBondContact CE1-CE 3.43Å
295	R	87.7	Confident	84.3	Confident	28 Å²	28	27.2 Å²	27.2	11%	0.106	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	110.7	174.4	-177	177.8	176.7	158.8	1	110.8	G297 L301 C578 L579 L581 P583 G584	R295-G297 PolarHBondContact NE-O 2.83Å; R295-L301 HydrophobicContact CB-CD1 3.99Å; R295-L301 HydrophobicContact CG-CD1 4.36Å; R295-C578 PolarHBondContact NH1-O 3.05Å; R295-L579 VanDerWaalsContact CZ-O 3.29Å; R295-L579 PolarHBondContact NH1-O 2.78Å; R295-L579 PolarHBondContact NH2-O 3.17Å; R295-L581 PolarHBondContact NH1-O 3.31Å; R295-P583 HydrophobicContact CG-CB 4.46Å; R295-G584 PolarHBondContact N-O 3.26Å; R295-G584 PolarHBondContact O-N 2.76Å; R295-G584 VanDerWaalsContact O-N 3.14Å
296	V	85	Confident	83.9	Confident	81 Å²	81	27.3 Å²	27.3	49%	0.491	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	107.2	-178.9	-176	0	0	0	0	109.5	K300 F302	V296-K300 HydrophobicContact CB-CB 4.29Å; V296-K300 PolarHBondContact N-O 3.11Å; V296-K300 VanDerWaalsContact N-O 3.14Å; V296-K300 WeakPolarHBondContact O-CB 3.38Å; V296-F302 HydrophobicContact CB-CE2 4.19Å; V296-F302 HydrophobicContact CG2-CD2 4.04Å; V296-F302 HydrophobicContact CG2-CE2 3.93Å
297	G	78.2	Confident	82.8	Confident	42 Å²	42	29.2 Å²	29.2	43%	0.433	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	-145.5	-179	0	0	0	0	0	114	R295	R295-G297 PolarHBondContact NE-O 2.83Å
298	S	71.6	Confident	81.6	Confident	91 Å²	91	30.4 Å²	30.4	64%	0.636	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-24.8	-172.1	53.6	0	0	0	0	115
299	R	73.6	Confident	79.9	Confident	121 Å²	121	30.5 Å²	30.5	46%	0.457	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	0.6	-169.6	-66.2	-172.5	-179.2	-170	-2.1	115.9	P263 I266 L267	P263-R299 PolarHBondContact O-NH1 3.03Å; P263-R299 VanDerWaalsContact O-NH1 3.12Å; I266-R299 CarbonylContact C-O 3.59Å; I266-R299 VanDerWaalsContact CA-O 3.29Å; I266-R299 WeakPolarHBondContact CA-O 3.45Å; I266-R299 WeakPolarHBondContact CG2-O 3.04Å; L267-R299 PolarHBondContact N-O 2.95Å
300	K	81	Confident	78.3	Confident	33 Å²	33	31.2 Å²	31.2	14%	0.143	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.1	-177.1	-54.5	-178.2	175	-163.1	0	111.7	D251 V296 F302	D251-K300 WeakPolarHBondContact OD1-CD 3.42Å; D251-K300 WeakPolarHBondContact OD1-CE 3.23Å; D251-K300 IonicContact OD1-NZ 3.04Å; D251-K300 PolarHBondContact OD1-NZ 3.34Å; D251-K300 IonicContact OD2-NZ 2.84Å; D251-K300 PolarHBondContact OD2-NZ 3.15Å; V296-K300 HydrophobicContact CB-CB 4.29Å; V296-K300 PolarHBondContact N-O 3.11Å; V296-K300 VanDerWaalsContact N-O 3.14Å; V296-K300 WeakPolarHBondContact O-CB 3.38Å; K300-F302 HydrophobicContact CB-CE2 3.87Å; K300-F302 HydrophobicContact CB-CZ 4.4Å; K300-F302 HydrophobicContact CD-CE2 4.48Å; K300-F302 HydrophobicContact CD-CZ 4.48Å
301	L	87	Confident	76.5	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	112	-179.3	-173.2	67.1	0	0	0	109.7	L267 T268 A269 V293 R295 F303 I575 C578 L579	L267-L301 PolarHBondContact O-N 2.86Å; L267-L301 VanDerWaalsContact O-N 3.09Å; T268-L301 VanDerWaalsContact CA-O 3.3Å; T268-L301 WeakPolarHBondContact CA-O 3.21Å; T268-L301 HydrophobicContact CG2-CB 4.22Å; T268-L301 HydrophobicContact CG2-CD2 4.2Å; T268-L301 HydrophobicContact CG2-CG 4.34Å; T268-L301 WeakPolarHBondContact CG2-O 3.09Å; A269-L301 PolarHBondContact N-O 2.92Å; V293-L301 HydrophobicContact CG1-CD1 3.51Å; V293-L301 HydrophobicContact CG1-CG 4.2Å; R295-L301 HydrophobicContact CB-CD1 3.99Å; R295-L301 HydrophobicContact CG-CD1 4.36Å; L301-F303 HydrophobicContact CD2-CD2 4.5Å; L301-F303 HydrophobicContact CD2-CE2 3.5Å; L301-F303 VanDerWaalsContact CD2-CE2 3.5Å; L301-F303 HydrophobicContact CD2-CZ 3.88Å; L301-F303 HydrophobicContact CG-CD2 4.3Å; L301-F303 HydrophobicContact CG-CE2 3.73Å; L301-F303 HydrophobicContact CG-CZ 4.36Å; L301-I575 HydrophobicContact CD2-CG2 4.31Å; L301-C578 HydrophobicContact CD1-CB 4.01Å; L301-C578 HydrophobicContact CD2-CB 3.67Å; L301-C578 HydrophobicContact CG-CB 4.49Å; L301-L579 HydrophobicContact CB-CD2 4.16Å; L301-L579 HydrophobicContact CD2-CD2 4.05Å; L301-L579 HydrophobicContact CD2-CG 4.11Å
302	F	87.7	Confident	74.2	Confident	25 Å²	25	32.1 Å²	32.1	11%	0.11	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.9	177.8	-55.1	-93.9	0	0	0	109.1	T241 I247 A269 V293 H294 V296 K300	T241-F302 HydrophobicContact CG2-CB 4.21Å; T241-F302 HydrophobicContact CG2-CD1 4.06Å; I247-F302 HydrophobicContact CG2-CE1 4.22Å; A269-F302 HydrophobicContact CB-CD1 3.6Å; A269-F302 HydrophobicContact CB-CE1 3.75Å; A269-F302 WeakPolarHBondContact O-CA 2.98Å; V293-F302 CarbonylContact C-O 3.51Å; V293-F302 WeakPolarHBondContact CA-O 3.43Å; H294-F302 HydrophobicContact CB-CB 4.28Å; H294-F302 PolarHBondContact N-O 3.31Å; H294-F302 PolarHBondContact O-N 3.25Å; V296-F302 HydrophobicContact CB-CE2 4.19Å; V296-F302 HydrophobicContact CG2-CD2 4.04Å; V296-F302 HydrophobicContact CG2-CE2 3.93Å; K300-F302 HydrophobicContact CB-CE2 3.87Å; K300-F302 HydrophobicContact CB-CZ 4.4Å; K300-F302 HydrophobicContact CD-CE2 4.48Å; K300-F302 HydrophobicContact CD-CZ 4.48Å
303	F	87.4	Confident	71.5	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128	171.7	-71.9	-100.8	0	0	0	109.1	T241 T268 A269 F270 V275 L279 V291 V292 V293 L301 I574 I575	T241-F303 WeakPolarHBondContact CB-O 3.37Å; T241-F303 PolarHBondContact OG1-O 3.31Å; T268-F303 HydrophobicContact CG2-CD2 3.8Å; T268-F303 HydrophobicContact CG2-CE2 3.59Å; A269-F303 PolarHBondContact O-N 2.91Å; A269-F303 VanDerWaalsContact O-N 3.1Å; F270-F303 HydrophobicContact CD1-CB 3.71Å; F270-F303 HydrophobicContact CD1-CD2 4.02Å; F270-F303 HydrophobicContact CD1-CG 4.11Å; F270-F303 HydrophobicContact CE1-CB 3.49Å; F270-F303 VanDerWaalsContact CE1-CB 3.49Å; F270-F303 HydrophobicContact CE1-CD1 4.2Å; F270-F303 AromaticContact CE1-CD2 3.37Å; F270-F303 HydrophobicContact CE1-CD2 3.37Å; F270-F303 HydrophobicContact CE1-CE2 4.08Å; F270-F303 AromaticContact CE1-CG 3.44Å; F270-F303 HydrophobicContact CE1-CG 3.44Å; F270-F303 VanDerWaalsContact CE1-CG 3.44Å; F270-F303 HydrophobicContact CE2-CD2 4.02Å; F270-F303 HydrophobicContact CE2-CE2 4.21Å; F270-F303 HydrophobicContact CZ-CB 4.38Å; F270-F303 AromaticContact CZ-CD2 3.35Å; F270-F303 HydrophobicContact CZ-CD2 3.35Å; F270-F303 AromaticContact CZ-CE2 3.61Å; F270-F303 HydrophobicContact CZ-CE2 3.61Å; F270-F303 AromaticContact CZ-CG 3.87Å; F270-F303 HydrophobicContact CZ-CG 3.87Å; F270-F303 HydrophobicContact CZ-CZ 4.32Å; V275-F303 HydrophobicContact CG1-CB 3.9Å; L279-F303 HydrophobicContact CD1-CD1 3.88Å; L279-F303 HydrophobicContact CD1-CE1 4.04Å; L279-F303 HydrophobicContact CD1-CG 4.45Å; V291-F303 HydrophobicContact CG1-CB 4.18Å; V291-F303 HydrophobicContact CG1-CD1 3.95Å; V292-F303 WeakPolarHBondContact O-CA 3.44Å; V293-F303 HydrophobicContact CB-CD1 4.41Å; V293-F303 HydrophobicContact CB-CE1 4.47Å; V293-F303 HydrophobicContact CG1-CD1 4.13Å; V293-F303 HydrophobicContact CG1-CE1 3.95Å; V293-F303 HydrophobicContact CG1-CE2 4.48Å; V293-F303 HydrophobicContact CG1-CG 4.47Å; V293-F303 HydrophobicContact CG1-CZ 4.14Å; V293-F303 HydrophobicContact CG2-CD1 3.58Å; V293-F303 HydrophobicContact CG2-CE1 3.66Å; V293-F303 HydrophobicContact CG2-CG 4.47Å; L301-F303 HydrophobicContact CD2-CD2 4.5Å; L301-F303 HydrophobicContact CD2-CE2 3.5Å; L301-F303 VanDerWaalsContact CD2-CE2 3.5Å; L301-F303 HydrophobicContact CD2-CZ 3.88Å; L301-F303 HydrophobicContact CG-CD2 4.3Å; L301-F303 HydrophobicContact CG-CE2 3.73Å; L301-F303 HydrophobicContact CG-CZ 4.36Å; F303-I574 HydrophobicContact CE1-CG2 3.97Å; F303-I574 HydrophobicContact CZ-CG2 4.15Å; F303-I575 HydrophobicContact CE2-CG1 4.05Å; F303-I575 HydrophobicContact CZ-CG1 4.12Å
304	D	83.8	Confident	68.8	Low	7 Å²	7	35.5 Å²	35.5	4%	0.037	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	166.6	-172.7	-139.8	-24.8	0	0	0	113.8	T240 T241 T242 V291 V292	T240-D304 VanDerWaalsContact CB-OD1 3.26Å; T240-D304 WeakPolarHBondContact CB-OD1 3.19Å; T240-D304 WeakPolarHBondContact CB-OD2 3.34Å; T241-D304 WeakPolarHBondContact CA-OD2 3.22Å; T241-D304 VanDerWaalsContact CB-OD2 3.31Å; T241-D304 WeakPolarHBondContact CB-OD2 3.36Å; T241-D304 VanDerWaalsContact N-CG 3.26Å; T241-D304 PolarHBondContact N-OD1 2.93Å; T241-D304 PolarHBondContact N-OD2 3.26Å; T242-D304 PolarHBondContact N-OD2 3.31Å; V291-D304 CarbonylContact C-O 3.54Å; V291-D304 WeakPolarHBondContact CG1-O 3.42Å; V292-D304 PolarHBondContact N-O 2.85Å; V292-D304 PolarHBondContact O-N 3.4Å
305	K	78.6	Confident	66.2	Low	12 Å²	12	36.5 Å²	36.5	5%	0.052	21%	0.213	C	C	.	.			trans	-105.6	146	172.1	70.1	-160.8	177.8	-143.6	0	109	T238 V239 T240 E271	T238-K305 VanDerWaalsContact O-CE 3.31Å; T238-K305 WeakPolarHBondContact O-CE 3.44Å; T238-K305 PolarHBondContact O-NZ 3.09Å; T238-K305 VanDerWaalsContact O-NZ 3.14Å; V239-K305 PolarHBondContact O-NZ 3.09Å; T240-K305 HydrophobicContact CG2-CG 4.42Å; E271-K305 IonicContact OE1-NZ 2.82Å; E271-K305 IonicContact OE2-NZ 3.92Å; E271-K305 PolarHBondContact OE2-NZ 3.38Å
306	R	76.7	Confident	63.4	Low	10 Å²	10	41.8 Å²	41.8	4%	0.038	24%	0.239	C	C	.	.			trans	-74.4	139.4	167.5	-48.6	175.2	-72.7	124.2	-4.4	108.7	S170 D290 V292 A308 S309 F607 E610	S170-R306 PolarHBondContact O-NH2 2.85Å; D290-R306 VanDerWaalsContact CG-NH2 3.3Å; D290-R306 IonicContact OD1-CZ 3.87Å; D290-R306 IonicContact OD1-NE 3.75Å; D290-R306 IonicContact OD1-NH2 3.77Å; D290-R306 PolarHBondContact OD1-NH2 3.4Å; D290-R306 IonicContact OD2-CZ 2.73Å; D290-R306 IonicContact OD2-NE 3.86Å; D290-R306 PolarHBondContact OD2-NE 3.02Å; D290-R306 IonicContact OD2-NH2 3.62Å; D290-R306 PolarHBondContact OD2-NH2 2.88Å; V292-R306 HydrophobicContact CG2-CG 3.43Å; V292-R306 VanDerWaalsContact CG2-CG 3.43Å; R306-A308 PolarHBondContact O-N 3.48Å; R306-S309 PolarHBondContact NH2-OG 3.35Å; R306-S309 WeakPolarHBondContact O-CB 3.46Å; R306-S309 PolarHBondContact O-N 3.05Å; R306-F607 VanDerWaalsContact CD-CE1 3.44Å; R306-F607 HydrophobicContact CG-CD1 4.37Å; R306-F607 HydrophobicContact CG-CD2 4.34Å; R306-F607 HydrophobicContact CG-CG 4.16Å; R306-E610 IonicContact CZ-OE2 3.5Å; R306-E610 IonicContact NH1-OE1 3.67Å; R306-E610 PolarHBondContact NH1-OE1 3.07Å; R306-E610 IonicContact NH1-OE2 3.7Å; R306-E610 PolarHBondContact NH1-OE2 2.73Å
307	L	63.3	Low	60.8	Low	76 Å²	76	42.9 Å²	42.9	40%	0.398	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-33.4	177.1	-69.6	178.1	0	0	0	112.3	T240 D611	T240-L307 HydrophobicContact CG2-CD2 3.53Å; T240-L307 HydrophobicContact CG2-CG 4.08Å; L307-D611 HydrophobicContact CD1-CB 4.28Å; L307-D611 WeakPolarHBondContact CD1-OD1 3.17Å
308	A	56.2	Low	58.7	Low	44 Å²	44	45.4 Å²	45.4	36%	0.364	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	9.9	175.7	0	0	0	0	0	115.2	R306 E610	R306-A308 PolarHBondContact O-N 3.48Å; A308-E610 HydrophobicContact CB-CB 4.05Å; A308-E610 HydrophobicContact CB-CG 4.24Å
309	S	51.2	Low	56.7	Low	6 Å²	6	46 Å²	46	4%	0.042	25%	0.249	C	C	.	.	S	Bend	trans	-93.9	149.1	177	-168.7	0	0	0	0	112.2	D290 R306 L311	D290-S309 PolarHBondContact OD2-OG 2.79Å; R306-S309 PolarHBondContact NH2-OG 3.35Å; R306-S309 WeakPolarHBondContact O-CB 3.46Å; R306-S309 PolarHBondContact O-N 3.05Å; S309-L311 PolarHBondContact O-N 2.65Å
310	D	53	Low	54.5	Low	20 Å²	20	48.5 Å²	48.5	11%	0.107	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	4.2	-174.5	-71.4	-53.4	0	0	0	115.2	P328 L329 Q330	D310-P328 VanDerWaalsContact CG-O 3.3Å; D310-P328 VanDerWaalsContact OD2-O 3.13Å; D310-L329 VanDerWaalsContact OD1-CA 3.29Å; D310-L329 WeakPolarHBondContact OD1-CA 3.4Å; D310-L329 PolarHBondContact OD1-N 3.16Å; D310-L329 VanDerWaalsContact OD1-N 3.15Å; D310-Q330 HydrophobicContact CB-CB 3.92Å; D310-Q330 HydrophobicContact CB-CG 3.61Å; D310-Q330 VanDerWaalsContact OD2-CD 3.27Å; D310-Q330 WeakPolarHBondContact OD2-CG 3.45Å; D310-Q330 PolarHBondContact OD2-NE2 2.73Å
311	L	49.8	Very low	51.9	Low	1 Å²	1	50.5 Å²	50.5	1%	0.005	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-25	-170.7	-80.3	-179.5	0	0	0	115.2	W289 D290 V291 S309 T331	W289-L311 HydrophobicContact CB-CD2 4.27Å; D290-L311 WeakPolarHBondContact O-CD1 3.5Å; V291-L311 HydrophobicContact CG2-CD1 4.22Å; S309-L311 PolarHBondContact O-N 2.65Å; L311-T331 HydrophobicContact CD2-CG2 3.88Å
312	G	39.8	Very low	49.1	Very low	19 Å²	19	62 Å²	62	20%	0.196	33%	0.332	C	S	.	.	S	Bend	trans	-170.4	46.4	-171.5	0	0	0	0	0	117.6	T238 P314	T238-G312 VanDerWaalsContact CB-O 3.31Å; T238-G312 WeakPolarHBondContact CB-O 3.29Å; T238-G312 WeakPolarHBondContact CG2-O 3.23Å; T238-G312 PolarHBondContact OG1-O 3.43Å; G312-P314 WeakPolarHBondContact O-CD 3.27Å
313	C	30.9	Very low	46.2	Very low	58 Å²	58	65.7 Å²	65.7	39%	0.392	36%	0.356	S	S	.	.			trans	-99.5	119.2	178.7	-172.9	0	0	0	0	113.1
314	P	34	Very low	43.2	Very low	19 Å²	19	72.6 Å²	72.6	12%	0.123	39%	0.388	C	S	.	.			trans	-86.3	135.1	163.6	-6.1	25.6	0	0	0	111.3	F236 T238 G312 Q316	F236-P314 HydrophobicContact CB-CB 4.4Å; F236-P314 HydrophobicContact CB-CG 4.25Å; T238-P314 HydrophobicContact CG2-CG 3.46Å; T238-P314 VanDerWaalsContact CG2-CG 3.46Å; T238-P314 WeakPolarHBondContact OG1-CD 3.31Å; G312-P314 WeakPolarHBondContact O-CD 3.27Å; P314-Q316 PolarHBondContact O-N 2.87Å
315	E	33.1	Very low	40.5	Very low	72 Å²	72	77.6 Å²	77.6	34%	0.336	42%	0.419	S	S	.	.	S	Bend	trans	-31.8	-5.3	-175.8	-146.1	170.4	134	0	0	122.2	L317 L318 F364	E315-L317 VanDerWaalsContact C-N 3.33Å; E315-L317 PolarHBondContact O-N 3.38Å; E315-L318 PolarHBondContact O-N 2.62Å; E315-L318 VanDerWaalsContact O-N 3.15Å; E315-F364 HydrophobicContact CB-CZ 4.23Å; E315-F364 WeakPolarHBondContact OE2-CE2 3.35Å
316	Q	30	Very low	38	Very low	139 Å²	139	85.4 Å²	85.4	65%	0.65	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-12.2	-167.2	-89.5	-171.7	-118.6	0	0	117	P314	P314-Q316 PolarHBondContact O-N 2.87Å
317	L	30.6	Very low	35.7	Very low	105 Å²	105	89.8 Å²	89.8	55%	0.55	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-2.9	172	-83.6	163.5	0	0	0	113.9	E315	E315-L317 VanDerWaalsContact C-N 3.33Å; E315-L317 PolarHBondContact O-N 3.38Å
318	L	33.9	Very low	34.2	Very low	94 Å²	94	87.3 Å²	87.3	49%	0.492	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	9.5	-171	-74.7	171.5	0	0	0	115.2	E315 M356	E315-L318 PolarHBondContact O-N 2.62Å; E315-L318 VanDerWaalsContact O-N 3.15Å; L318-M356 HydrophobicContact CD1-CE 3.7Å; L318-M356 HydrophobicContact CD1-SD 4.23Å
319	S	28.3	Very low	33.5	Very low	105 Å²	105	86.5 Å²	86.5	73%	0.734	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-29.1	-177.8	51.8	0	0	0	0	114.3
320	E	27.5	Very low	32.9	Very low	173 Å²	173	86.9 Å²	86.9	81%	0.808	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	-21.1	-174.1	-61.9	-170.8	-175.3	0	0	114.6	R322	E320-R322 PolarHBondContact O-N 2.94Å
321	A	26.6	Very low	32.4	Very low	74 Å²	74	87 Å²	87	61%	0.612	46%	0.462	S	S	*	.			trans	-73.2	51	178.7	0	0	0	0	0	114	V323	A321-V323 PolarHBondContact O-N 3.21Å
322	R	27.5	Very low	32.3	Very low	243 Å²	243	87.9 Å²	87.9	92%	0.917	47%	0.466	S	S	*	.			trans	-82.8	25.8	-173.1	-145.4	176.3	-166.8	175.2	5.3	113.9	E320	E320-R322 PolarHBondContact O-N 2.94Å
323	V	27.6	Very low	33.1	Very low	103 Å²	103	87.7 Å²	87.7	62%	0.624	46%	0.459	S	S	*	.	S	Bend	trans	-135	115.6	-161.8	-176.5	0	0	0	0	111.5	A321 T325	A321-V323 PolarHBondContact O-N 3.21Å; V323-T325 PolarHBondContact O-N 3.24Å
324	Q	25.1	Very low	34.3	Very low	144 Å²	144	85.3 Å²	85.3	67%	0.673	44%	0.443	S	S	*	.	S	Bend	trans	66.8	31.1	151.6	-62.5	171.5	1.2	0	0	121
325	T	26.1	Very low	35.9	Very low	113 Å²	113	85.3 Å²	85.3	69%	0.693	44%	0.441	S	S	*	.			trans	-128.5	118.7	155.1	57.9	0	0	0	0	114	V323 K327	V323-T325 PolarHBondContact O-N 3.24Å; T325-K327 VanDerWaalsContact C-N 3.34Å; T325-K327 PolarHBondContact O-N 3.43Å
326	N	26.7	Very low	37.9	Very low	175 Å²	175	83.7 Å²	83.7	94%	0.936	44%	0.437	S	S	*	.			trans	-90.2	65	168.5	-77.2	-47	0	0	0	110
327	K	29.1	Very low	40.1	Very low	103 Å²	103	77.7 Å²	77.7	45%	0.448	41%	0.411	S	S	.	.			trans	-99.7	132.3	170.3	-73.3	-177.3	177.6	176.9	0	109.4	T325 E610	T325-K327 VanDerWaalsContact C-N 3.34Å; T325-K327 PolarHBondContact O-N 3.43Å; K327-E610 IonicContact NZ-OE1 3.66Å
328	P	31.6	Very low	42.2	Very low	23 Å²	23	78.4 Å²	78.4	15%	0.149	42%	0.419	C	S	.	.			trans	-109	115.8	-169.2	38.6	-30.8	0	0	0	113.9	D310 Q330 R333 T352	D310-P328 VanDerWaalsContact CG-O 3.3Å; D310-P328 VanDerWaalsContact OD2-O 3.13Å; P328-Q330 WeakPolarHBondContact O-CG 3.29Å; P328-Q330 PolarHBondContact O-N 3.36Å; P328-R333 PolarHBondContact O-NH2 2.96Å; P328-T352 WeakPolarHBondContact CA-OG1 3.25Å; P328-T352 HydrophobicContact CB-CG2 4.49Å; P328-T352 WeakPolarHBondContact CB-OG1 3.13Å
329	L	40	Very low	44	Very low	27 Å²	27	80.1 Å²	80.1	14%	0.141	43%	0.425	C	S	.	.			trans	-41.3	129.4	173.2	-100.6	63.5	0	0	0	113.6	D310 R333 A355 M356 I359	D310-L329 VanDerWaalsContact OD1-CA 3.29Å; D310-L329 WeakPolarHBondContact OD1-CA 3.4Å; D310-L329 PolarHBondContact OD1-N 3.16Å; D310-L329 VanDerWaalsContact OD1-N 3.15Å; L329-R333 PolarHBondContact O-NE 3.38Å; L329-R333 PolarHBondContact O-NH2 2.76Å; L329-A355 HydrophobicContact CB-CB 3.54Å; L329-A355 HydrophobicContact CD2-CB 4.2Å; L329-M356 HydrophobicContact CD1-CG 4.48Å; L329-M356 HydrophobicContact CD1-SD 3.79Å; L329-M356 HydrophobicContact CD2-CB 4.39Å; L329-M356 HydrophobicContact CD2-CG 3.85Å; L329-M356 HydrophobicContact CD2-SD 3.37Å; L329-M356 WeakPolarHBondContact CD2-SD 3.41Å; L329-M356 HydrophobicContact CG-SD 4.23Å; L329-I359 HydrophobicContact CD2-CD1 3.49Å; L329-I359 VanDerWaalsContact CD2-CD1 3.49Å; L329-I359 HydrophobicContact CD2-CG1 4.07Å; L329-I359 HydrophobicContact CG-CD1 4.26Å
330	Q	39.5	Very low	46.2	Very low	14 Å²	14	76 Å²	76	7%	0.065	40%	0.395	C	S	.	.			trans	-106.9	-28.1	-164.4	-64.3	176.2	7.4	0	0	114.1	S170 S288 D310 P328 I332	S170-Q330 VanDerWaalsContact CB-NE2 3.33Å; S288-Q330 VanDerWaalsContact C-OE1 3.22Å; S288-Q330 PolarHBondContact O-OE1 3.09Å; D310-Q330 HydrophobicContact CB-CB 3.92Å; D310-Q330 HydrophobicContact CB-CG 3.61Å; D310-Q330 VanDerWaalsContact OD2-CD 3.27Å; D310-Q330 WeakPolarHBondContact OD2-CG 3.45Å; D310-Q330 PolarHBondContact OD2-NE2 2.73Å; P328-Q330 WeakPolarHBondContact O-CG 3.29Å; P328-Q330 PolarHBondContact O-N 3.36Å; Q330-I332 PolarHBondContact O-N 2.83Å
331	T	42	Very low	48.3	Very low	24 Å²	24	68.8 Å²	68.8	15%	0.147	36%	0.364	C	S	.	.	S	Bend	trans	-78.4	-19.5	-167.6	46.9	0	0	0	0	115.6	L311	L311-T331 HydrophobicContact CD2-CG2 3.88Å
332	I	48.2	Very low	50.5	Low	18 Å²	18	67.8 Å²	67.8	9%	0.092	35%	0.346	C	S	.	.	S	Bend	trans	-129.3	61.5	-175.4	-36.6	-170.2	0	0	0	113.4	Q330 A355 A358 I359 K496	Q330-I332 PolarHBondContact O-N 2.83Å; I332-A355 WeakPolarHBondContact O-CA 3.47Å; I332-A358 HydrophobicContact CB-CB 3.9Å; I332-A358 HydrophobicContact CG2-CB 3.29Å; I332-I359 HydrophobicContact CD1-CB 4.4Å; I332-I359 HydrophobicContact CD1-CG1 3.51Å; I332-I359 HydrophobicContact CG1-CG1 4.1Å; I332-K496 HydrophobicContact CG2-CD 3.79Å
333	R	57	Low	52.6	Low	16 Å²	16	59.2 Å²	59.2	6%	0.06	32%	0.317	C	S	.	.	S	Bend	trans	-122.6	151.9	170.5	-57.5	177.9	-164.3	170.4	25.7	110.9	Y287 P328 L329 E335 P351 A355 N493	Y287-R333 HydrophobicContact CD2-CB 4.49Å; Y287-R333 HydrophobicContact CE2-CB 3.75Å; Y287-R333 VanDerWaalsContact CE2-CD 3.47Å; Y287-R333 HydrophobicContact CE2-CG 4.26Å; P328-R333 PolarHBondContact O-NH2 2.96Å; L329-R333 PolarHBondContact O-NE 3.38Å; L329-R333 PolarHBondContact O-NH2 2.76Å; R333-E335 PolarHBondContact O-N 3.43Å; R333-P351 HydrophobicContact CG-CB 4.28Å; R333-A355 HydrophobicContact CG-CB 4.12Å; R333-N493 PolarHBondContact O-OD1 3.18Å
334	P	56.7	Low	54.5	Low	8 Å²	8	60.4 Å²	60.4	5%	0.052	32%	0.316	C	S	.	.			trans	-70	84.2	165.2	29.7	-32.8	0	0	0	110.1	A337 P341 N492	P334-A337 HydrophobicContact CB-CB 4.49Å; P334-P341 HydrophobicContact CG-CG 3.78Å; P334-N492 CarbonylContact C-O 3.55Å; P334-N492 WeakPolarHBondContact CA-O 3.17Å; P334-N492 HydrophobicContact CB-CB 4.33Å
335	E	67.5	Low	56.5	Low	19 Å²	19	55.6 Å²	55.6	9%	0.089	30%	0.304	C	S	.	.			trans	-81.8	-31.5	-169.3	77	-160.8	124.8	0	0	114.4	V286 Y287 R333 N492 C495 K496	V286-E335 HydrophobicContact CB-CB 4.29Å; V286-E335 HydrophobicContact CB-CG 4.47Å; V286-E335 HydrophobicContact CG2-CG 4.49Å; Y287-E335 HydrophobicContact CD2-CB 3.64Å; Y287-E335 HydrophobicContact CE2-CB 3.49Å; Y287-E335 VanDerWaalsContact CE2-CB 3.49Å; R333-E335 PolarHBondContact O-N 3.43Å; E335-N492 PolarHBondContact N-O 3.34Å; E335-N492 VanDerWaalsContact N-O 3.13Å; E335-C495 WeakPolarHBondContact OE1-CA 3.39Å; E335-C495 WeakPolarHBondContact OE1-CB 3.47Å; E335-C495 PolarHBondContact OE1-N 3.27Å; E335-C495 VanDerWaalsContact OE2-CB 3.25Å; E335-C495 WeakPolarHBondContact OE2-CB 3.45Å; E335-K496 PolarHBondContact OE1-N 3.14Å; E335-K496 VanDerWaalsContact OE1-N 3.07Å
336	T	73.9	Confident	58.7	Low	38 Å²	38	58 Å²	58	23%	0.233	31%	0.313	C	S	.	.	S	Bend	trans	-102.8	5.6	-175	54.5	0	0	0	0	112.5	V286 K491 N492 N493 S494	V286-T336 HydrophobicContact CG2-CG2 3.93Å; T336-K491 CarbonylContact C-O 3.38Å; T336-K491 VanDerWaalsContact CB-O 3.3Å; T336-K491 WeakPolarHBondContact CB-O 3.46Å; T336-K491 VanDerWaalsContact O-O 3.12Å; T336-K491 PolarHBondContact OG1-O 3.02Å; T336-N492 PolarHBondContact N-O 3.08Å; T336-N492 VanDerWaalsContact N-O 3.13Å; T336-N492 PolarHBondContact OG1-O 2.75Å; T336-N493 PolarHBondContact OG1-N 2.85Å; T336-S494 WeakPolarHBondContact OG1-CB 3.43Å; T336-S494 PolarHBondContact OG1-N 3.21Å
337	A	76.7	Confident	61.2	Low	13 Å²	13	52 Å²	52	11%	0.107	28%	0.283	C	S	.	.	S	Bend	trans	-56.6	147.9	169.6	0	0	0	0	0	110.9	P334 E339 N492	P334-A337 HydrophobicContact CB-CB 4.49Å; A337-E339 PolarHBondContact O-N 2.89Å; A337-N492 HydrophobicContact CB-CB 4.33Å; A337-N492 PolarHBondContact N-O 2.95Å
338	T	74.3	Confident	63.6	Low	119 Å²	119	50 Å²	50	73%	0.73	28%	0.276	S	S	*	.	S	Bend	trans	-62	-28.7	179.9	-59.3	0	0	0	0	112.3	K491	T338-K491 VanDerWaalsContact OG1-CE 3.29Å; T338-K491 WeakPolarHBondContact OG1-CE 2.99Å; T338-K491 PolarHBondContact OG1-NZ 3.27Å
339	E	71.9	Confident	65.9	Low	131 Å²	131	49.4 Å²	49.4	61%	0.612	27%	0.272	S	S	*	.	S	Bend	trans	-131	108.3	167	-177.5	163.1	-160.3	0	0	107.6	A337 Q342	A337-E339 PolarHBondContact O-N 2.89Å; E339-Q342 PolarHBondContact OE1-NE2 3.12Å
340	P	73.7	Confident	67.7	Low	17 Å²	17	49.4 Å²	49.4	11%	0.11	27%	0.272	C	S	.	.			trans	-74.5	156.6	175.6	31.3	-34.7	0	0	0	110.5	Q342	P340-Q342 WeakPolarHBondContact O-CG 3.45Å; P340-Q342 PolarHBondContact O-N 2.95Å
341	P	72.9	Confident	69.3	Low	22 Å²	22	49.6 Å²	49.6	14%	0.143	27%	0.274	C	S	.	.			trans	-56	123.3	-179.3	-26.5	35.1	0	0	0	112.9	P334 L354 W464	P334-P341 HydrophobicContact CG-CG 3.78Å; P341-L354 HydrophobicContact CB-CD1 4.13Å; P341-L354 HydrophobicContact CG-CD1 3.91Å; P341-W464 HydrophobicContact CG-CH2 4.29Å; P341-W464 HydrophobicContact CG-CZ2 3.96Å
342	Q	71.6	Confident	71	Confident	54 Å²	54	49.9 Å²	49.9	25%	0.252	28%	0.276	S	S	.	.			trans	-112.1	7.3	-177.9	-47.9	-164.8	42.3	0	0	113.8	E339 P340	E339-Q342 PolarHBondContact OE1-NE2 3.12Å; P340-Q342 WeakPolarHBondContact O-CG 3.45Å; P340-Q342 PolarHBondContact O-N 2.95Å
343	E	71.3	Confident	72.4	Confident	62 Å²	62	52 Å²	52	29%	0.29	29%	0.288	S	S	.	.			trans	-65.2	138.9	176.4	-69.7	-170.3	-147.5	0	0	111.1	T347 N349 P351	E343-T347 WeakPolarHBondContact CB-OG1 3.42Å; E343-T347 WeakPolarHBondContact OE2-CB 3.28Å; E343-T347 PolarHBondContact OE2-OG1 3.12Å; E343-N349 WeakPolarHBondContact OE1-CB 3.36Å; E343-N349 PolarHBondContact OE1-ND2 3.28Å; E343-P351 WeakPolarHBondContact O-CD 3.15Å
344	E	68.1	Low	73.4	Confident	129 Å²	129	51.3 Å²	51.3	60%	0.603	29%	0.285	S	S	*	.			trans	-125	159.8	-175.6	-97.8	171.2	-160.3	0	0	112	K165	K165-E344 WeakPolarHBondContact CD-OE1 3.33Å; K165-E344 WeakPolarHBondContact CE-OE1 3.19Å; K165-E344 IonicContact NZ-OE1 3.8Å; K165-E344 PolarHBondContact NZ-OE1 3.35Å; K165-E344 IonicContact NZ-OE2 3.18Å; K165-E344 PolarHBondContact NZ-OE2 2.87Å
345	G	67.7	Low	74.1	Confident	42 Å²	42	50.9 Å²	50.9	43%	0.433	28%	0.283	S	S	.	.	S	Bend	trans	74.2	-156	-175.5	0	0	0	0	0	112.2	T347 N350	G345-T347 PolarHBondContact O-N 3.24Å; G345-N350 PolarHBondContact O-ND2 2.65Å
346	N	72.8	Confident	74.3	Confident	164 Å²	164	52.4 Å²	52.4	88%	0.877	29%	0.29	S	S	*	.	S	Bend	trans	-82	29.2	-168	-61.6	1	0	0	0	113.8
347	T	78.6	Confident	74.2	Confident	49 Å²	49	51.2 Å²	51.2	30%	0.301	28%	0.282	S	S	.	.			trans	-78.4	148.8	177.5	80.8	0	0	0	0	111.5	E343 G345 N349 N350 N353	E343-T347 WeakPolarHBondContact CB-OG1 3.42Å; E343-T347 WeakPolarHBondContact OE2-CB 3.28Å; E343-T347 PolarHBondContact OE2-OG1 3.12Å; G345-T347 PolarHBondContact O-N 3.24Å; T347-N349 PolarHBondContact O-N 2.82Å; T347-N349 VanDerWaalsContact O-N 3.17Å; T347-N350 WeakPolarHBondContact O-CB 3.4Å; T347-N350 PolarHBondContact O-N 3.49Å; T347-N350 PolarHBondContact OG1-N 2.93Å; T347-N353 PolarHBondContact O-ND2 2.58Å
348	I	80.2	Confident	73.8	Confident	60 Å²	60	50.7 Å²	50.7	31%	0.308	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-6.8	178	56	169.4	0	0	0	114.5	R534 R538	I348-R534 PolarHBondContact O-NH2 2.87Å; I348-R538 VanDerWaalsContact CD1-C 3.47Å; I348-R538 VanDerWaalsContact CD1-CA 3.5Å; I348-R538 HydrophobicContact CD1-CB 4.27Å; I348-R538 WeakPolarHBondContact CD1-O 3.3Å
349	N	79.8	Confident	73.3	Confident	12 Å²	12	45.6 Å²	45.6	6%	0.064	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	7.5	175.2	-41.8	-42.3	0	0	0	113	E343 T347 L354 W464 R534	E343-N349 WeakPolarHBondContact OE1-CB 3.36Å; E343-N349 PolarHBondContact OE1-ND2 3.28Å; T347-N349 PolarHBondContact O-N 2.82Å; T347-N349 VanDerWaalsContact O-N 3.17Å; N349-L354 HydrophobicContact CB-CD1 4.33Å; N349-L354 HydrophobicContact CB-CD2 4.34Å; N349-L354 HydrophobicContact CB-CG 4.42Å; N349-L354 VanDerWaalsContact O-CD1 3.29Å; N349-L354 WeakPolarHBondContact O-CD1 3.03Å; N349-W464 HydrophobicContact CB-CE3 3.98Å; N349-W464 HydrophobicContact CB-CZ3 3.79Å; N349-R534 PolarHBondContact OD1-NH1 3.34Å
350	N	77.2	Confident	72.9	Confident	26 Å²	26	41.2 Å²	41.2	14%	0.139	22%	0.224	C	C	.	.	S	Bend	trans	-52.4	132.7	163.9	172.9	-28.5	0	0	0	108.2	G345 T347 T352 N353 L354	G345-N350 PolarHBondContact O-ND2 2.65Å; T347-N350 WeakPolarHBondContact O-CB 3.4Å; T347-N350 PolarHBondContact O-N 3.49Å; T347-N350 PolarHBondContact OG1-N 2.93Å; N350-T352 PolarHBondContact O-N 3.43Å; N350-T352 PolarHBondContact OD1-N 2.81Å; N350-T352 PolarHBondContact OD1-OG1 3.08Å; N350-N353 HydrophobicContact CB-CB 4.4Å; N350-N353 WeakPolarHBondContact O-CA 3.34Å; N350-N353 PolarHBondContact O-N 2.98Å; N350-L354 PolarHBondContact O-N 3.34Å
351	P	74	Confident	72.1	Confident	18 Å²	18	40.5 Å²	40.5	12%	0.117	22%	0.219	C	C	.	.	H	α-helix	trans	-52.3	-29.3	-178	15.8	-29.2	0	0	0	114.9	R333 E343 A355	R333-P351 HydrophobicContact CG-CB 4.28Å; E343-P351 WeakPolarHBondContact O-CD 3.15Å; P351-A355 WeakPolarHBondContact O-CB 3.14Å; P351-A355 PolarHBondContact O-N 2.92Å; P351-A355 VanDerWaalsContact O-N 3.1Å
352	T	76.2	Confident	71.2	Confident	31 Å²	31	40.6 Å²	40.6	19%	0.19	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-47.2	172	-49.6	0	0	0	0	111.8	P328 N350 A355 M356	P328-T352 WeakPolarHBondContact CA-OG1 3.25Å; P328-T352 HydrophobicContact CB-CG2 4.49Å; P328-T352 WeakPolarHBondContact CB-OG1 3.13Å; N350-T352 PolarHBondContact O-N 3.43Å; N350-T352 PolarHBondContact OD1-N 2.81Å; N350-T352 PolarHBondContact OD1-OG1 3.08Å; T352-A355 PolarHBondContact O-N 3.01Å; T352-M356 PolarHBondContact O-N 3.06Å
353	N	79.4	Confident	70.2	Confident	63 Å²	63	39.8 Å²	39.8	34%	0.337	22%	0.218	S	C	.	.	H	α-helix	trans	-70.8	-35.6	-179	-70.8	-25.6	0	0	0	111.8	T347 N350 A355 E357	T347-N353 PolarHBondContact O-ND2 2.58Å; N350-N353 HydrophobicContact CB-CB 4.4Å; N350-N353 WeakPolarHBondContact O-CA 3.34Å; N350-N353 PolarHBondContact O-N 2.98Å; N353-A355 VanDerWaalsContact C-N 3.33Å; N353-E357 VanDerWaalsContact O-CB 3.26Å; N353-E357 WeakPolarHBondContact O-CB 3.16Å; N353-E357 PolarHBondContact O-N 3.12Å
354	L	77.7	Confident	69.1	Low	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-39.2	170.6	-70.5	177.8	0	0	0	111.9	P341 N349 N350 A358 W464	P341-L354 HydrophobicContact CB-CD1 4.13Å; P341-L354 HydrophobicContact CG-CD1 3.91Å; N349-L354 HydrophobicContact CB-CD1 4.33Å; N349-L354 HydrophobicContact CB-CD2 4.34Å; N349-L354 HydrophobicContact CB-CG 4.42Å; N349-L354 VanDerWaalsContact O-CD1 3.29Å; N349-L354 WeakPolarHBondContact O-CD1 3.03Å; N350-L354 PolarHBondContact O-N 3.34Å; L354-A358 WeakPolarHBondContact O-CB 3.43Å; L354-A358 PolarHBondContact O-N 2.8Å; L354-W464 HydrophobicContact CD1-CD2 4.05Å; L354-W464 HydrophobicContact CD1-CE3 4.32Å; L354-W464 HydrophobicContact CD1-CZ2 4.25Å; L354-W464 HydrophobicContact CD2-CB 3.81Å; L354-W464 HydrophobicContact CD2-CD2 3.91Å; L354-W464 HydrophobicContact CD2-CE3 4.18Å; L354-W464 HydrophobicContact CD2-CG 3.75Å
355	A	71.5	Confident	68.2	Low	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-75.5	-38.3	178.8	0	0	0	0	0	112.5	L329 I332 R333 P351 T352 N353 A358 I359	L329-A355 HydrophobicContact CB-CB 3.54Å; L329-A355 HydrophobicContact CD2-CB 4.2Å; I332-A355 WeakPolarHBondContact O-CA 3.47Å; R333-A355 HydrophobicContact CG-CB 4.12Å; P351-A355 WeakPolarHBondContact O-CB 3.14Å; P351-A355 PolarHBondContact O-N 2.92Å; P351-A355 VanDerWaalsContact O-N 3.1Å; T352-A355 PolarHBondContact O-N 3.01Å; N353-A355 VanDerWaalsContact C-N 3.33Å; A355-A358 PolarHBondContact O-N 3.27Å; A355-I359 WeakPolarHBondContact O-CG1 3.44Å; A355-I359 PolarHBondContact O-N 2.69Å
356	M	71.1	Confident	67.1	Low	50 Å²	50	30.6 Å²	30.6	25%	0.246	16%	0.164	C	C	.	.	H	α-helix	trans	-60.7	-48.3	170.2	-78.9	-60.8	-52.7	0	0	111.1	L318 L329 T352 A358 I359 W360	L318-M356 HydrophobicContact CD1-CE 3.7Å; L318-M356 HydrophobicContact CD1-SD 4.23Å; L329-M356 HydrophobicContact CD1-CG 4.48Å; L329-M356 HydrophobicContact CD1-SD 3.79Å; L329-M356 HydrophobicContact CD2-CB 4.39Å; L329-M356 HydrophobicContact CD2-CG 3.85Å; L329-M356 HydrophobicContact CD2-SD 3.37Å; L329-M356 WeakPolarHBondContact CD2-SD 3.41Å; L329-M356 HydrophobicContact CG-SD 4.23Å; T352-M356 PolarHBondContact O-N 3.06Å; M356-A358 VanDerWaalsContact C-N 3.3Å; M356-A358 PolarHBondContact O-N 3.1Å; M356-I359 PolarHBondContact O-N 2.81Å; M356-W360 WeakPolarHBondContact O-CB 3.38Å; M356-W360 PolarHBondContact O-N 2.82Å
357	E	71.7	Confident	65.7	Low	14 Å²	14	24 Å²	24	7%	0.065	13%	0.126	C	C	.	.	H	α-helix	trans	-57.2	-47.6	173.9	-167.2	-163.3	-179.4	0	0	109.5	N353 I359 W360 Q361 R534 S540 H543	N353-E357 VanDerWaalsContact O-CB 3.26Å; N353-E357 WeakPolarHBondContact O-CB 3.16Å; N353-E357 PolarHBondContact O-N 3.12Å; E357-I359 PolarHBondContact O-N 2.79Å; E357-W360 WeakPolarHBondContact O-CB 3.26Å; E357-W360 PolarHBondContact O-N 3.07Å; E357-W360 VanDerWaalsContact O-N 3.16Å; E357-Q361 HydrophobicContact CG-CG 4.12Å; E357-Q361 VanDerWaalsContact CG-NE2 3.34Å; E357-Q361 VanDerWaalsContact O-CB 3.25Å; E357-Q361 WeakPolarHBondContact O-CB 3.13Å; E357-Q361 WeakPolarHBondContact O-CG 3.5Å; E357-Q361 PolarHBondContact O-N 3.13Å; E357-Q361 PolarHBondContact OE1-NE2 2.9Å; E357-R534 IonicContact OE1-CZ 3.71Å; E357-R534 IonicContact OE1-NE 3.88Å; E357-R534 PolarHBondContact OE1-NE 3.27Å; E357-R534 VanDerWaalsContact OE1-NE 3.12Å; E357-R534 IonicContact OE1-NH2 2.79Å; E357-R534 IonicContact OE2-CZ 2.57Å; E357-R534 IonicContact OE2-NE 3.88Å; E357-R534 PolarHBondContact OE2-NE 2.85Å; E357-R534 IonicContact OE2-NH2 3.27Å; E357-R534 PolarHBondContact OE2-NH2 2.78Å; E357-S540 VanDerWaalsContact CD-CB 3.47Å; E357-S540 WeakPolarHBondContact OE1-CA 3.12Å; E357-S540 WeakPolarHBondContact OE1-CB 3.19Å; E357-H543 IonicContact OE1-CD2 3.27Å; E357-H543 IonicContact OE1-CE1 2.79Å; E357-H543 PolarHBondContact OE1-CE1 2.6Å; E357-H543 IonicContact OE1-NE2 3.28Å; E357-H543 PolarHBondContact OE1-NE2 3.08Å
358	A	67.5	Low	63.8	Low	2 Å²	2	23.3 Å²	23.3	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-70.7	-27.6	-176.8	0	0	0	0	0	114.5	I332 L354 A355 M356 A362 N462	I332-A358 HydrophobicContact CB-CB 3.9Å; I332-A358 HydrophobicContact CG2-CB 3.29Å; L354-A358 WeakPolarHBondContact O-CB 3.43Å; L354-A358 PolarHBondContact O-N 2.8Å; A355-A358 PolarHBondContact O-N 3.27Å; M356-A358 VanDerWaalsContact C-N 3.3Å; M356-A358 PolarHBondContact O-N 3.1Å; A358-A362 WeakPolarHBondContact O-CB 3.22Å; A358-A362 PolarHBondContact O-N 3.49Å; A358-N462 HydrophobicContact CB-CB 4.35Å; A358-N462 VanDerWaalsContact CB-ND2 3.34Å; A358-N462 WeakPolarHBondContact CB-ND2 3.31Å
359	I	64.6	Low	62.3	Low	12 Å²	12	20.8 Å²	20.8	6%	0.062	11%	0.107	C	C	.	.	H	α-helix	trans	-65.7	-50.2	166.5	-77.6	-165.6	0	0	0	109.6	L329 I332 A355 M356 E357 Q361 A362 Q363	L329-I359 HydrophobicContact CD2-CD1 3.49Å; L329-I359 VanDerWaalsContact CD2-CD1 3.49Å; L329-I359 HydrophobicContact CD2-CG1 4.07Å; L329-I359 HydrophobicContact CG-CD1 4.26Å; I332-I359 HydrophobicContact CD1-CB 4.4Å; I332-I359 HydrophobicContact CD1-CG1 3.51Å; I332-I359 HydrophobicContact CG1-CG1 4.1Å; A355-I359 WeakPolarHBondContact O-CG1 3.44Å; A355-I359 PolarHBondContact O-N 2.69Å; M356-I359 PolarHBondContact O-N 2.81Å; E357-I359 PolarHBondContact O-N 2.79Å; I359-Q361 VanDerWaalsContact C-N 3.32Å; I359-Q361 PolarHBondContact O-N 3.38Å; I359-A362 PolarHBondContact O-N 3.06Å; I359-A362 VanDerWaalsContact O-N 3.09Å; I359-Q363 VanDerWaalsContact CG2-CD 3.43Å; I359-Q363 HydrophobicContact CG2-CG 4.16Å; I359-Q363 WeakPolarHBondContact O-CB 3.4Å; I359-Q363 WeakPolarHBondContact O-CG 3.23Å; I359-Q363 PolarHBondContact O-N 2.9Å
360	W	62.8	Low	60.3	Low	39 Å²	39	20.5 Å²	20.5	15%	0.148	11%	0.106	C	C	.	.	H	α-helix	trans	-58.1	-44.9	178.8	-175.7	72.5	0	0	0	112.3	R231 M356 E357 A362 F364 H543	R231-W360 HydrophobicContact CG-CH2 4Å; R231-W360 HydrophobicContact CG-CZ2 3.66Å; R231-W360 VanDerWaalsContact NE-CZ2 3.33Å; M356-W360 WeakPolarHBondContact O-CB 3.38Å; M356-W360 PolarHBondContact O-N 2.82Å; E357-W360 WeakPolarHBondContact O-CB 3.26Å; E357-W360 PolarHBondContact O-N 3.07Å; E357-W360 VanDerWaalsContact O-N 3.16Å; W360-A362 PolarHBondContact O-N 3.19Å; W360-F364 HydrophobicContact CB-CD2 4.45Å; W360-F364 AromaticContact CD1-CD2 3.4Å; W360-F364 VanDerWaalsContact CD1-CD2 3.4Å; W360-F364 AromaticContact CD1-CE2 3.41Å; W360-F364 VanDerWaalsContact CD1-CE2 3.41Å; W360-F364 AromaticContact CD1-CG 3.9Å; W360-F364 AromaticContact CD1-CZ 3.89Å; W360-F364 HydrophobicContact CG-CD2 4.07Å; W360-F364 HydrophobicContact CG-CE2 4.3Å; W360-F364 AromaticContact NE1-CD2 3.96Å; W360-F364 AromaticContact NE1-CG 3.98Å; W360-F364 VanDerWaalsContact O-CD2 3.3Å; W360-F364 WeakPolarHBondContact O-CD2 3.43Å; W360-F364 PolarHBondContact O-N 3.2Å; W360-H543 AromaticContact CE3-CE1 3.9Å; W360-H543 AromaticContact CZ3-CE1 3.55Å; W360-H543 AromaticContact CZ3-ND1 3.49Å; W360-H543 WeakPolarHBondContact CZ3-ND1 3.27Å
361	Q	57.5	Low	58.3	Low	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-59.7	-41.8	173.5	-72.8	174.7	-3.8	0	0	112.5	E357 I359 P365 F366 I532 H543	E357-Q361 HydrophobicContact CG-CG 4.12Å; E357-Q361 VanDerWaalsContact CG-NE2 3.34Å; E357-Q361 VanDerWaalsContact O-CB 3.25Å; E357-Q361 WeakPolarHBondContact O-CB 3.13Å; E357-Q361 WeakPolarHBondContact O-CG 3.5Å; E357-Q361 PolarHBondContact O-N 3.13Å; E357-Q361 PolarHBondContact OE1-NE2 2.9Å; I359-Q361 VanDerWaalsContact C-N 3.32Å; I359-Q361 PolarHBondContact O-N 3.38Å; Q361-P365 WeakPolarHBondContact O-CD 3.42Å; Q361-P365 VanDerWaalsContact O-CG 3.28Å; Q361-P365 WeakPolarHBondContact O-CG 3.3Å; Q361-F366 VanDerWaalsContact O-CD2 3.3Å; Q361-F366 WeakPolarHBondContact O-CD2 3.39Å; Q361-F366 WeakPolarHBondContact O-CE2 3.37Å; Q361-I532 HydrophobicContact CB-CB 3.85Å; Q361-I532 HydrophobicContact CB-CD1 3.77Å; Q361-I532 HydrophobicContact CB-CG1 3.7Å; Q361-I532 HydrophobicContact CB-CG2 3.88Å; Q361-I532 HydrophobicContact CG-CB 3.85Å; Q361-I532 HydrophobicContact CG-CG1 4.21Å; Q361-I532 HydrophobicContact CG-CG2 3.39Å; Q361-H543 PolarHBondContact NE2-NE2 2.7Å; Q361-H543 VanDerWaalsContact NE2-NE2 3.11Å
362	A	54.1	Low	56.2	Low	24 Å²	24	26.2 Å²	26.2	20%	0.198	13%	0.13	C	C	.	.	H	α-helix	trans	-81.4	-33	-176.9	0	0	0	0	0	113.9	A358 I359 W360 F366 A460	A358-A362 WeakPolarHBondContact O-CB 3.22Å; A358-A362 PolarHBondContact O-N 3.49Å; I359-A362 PolarHBondContact O-N 3.06Å; I359-A362 VanDerWaalsContact O-N 3.09Å; W360-A362 PolarHBondContact O-N 3.19Å; A362-F366 WeakPolarHBondContact O-CB 3.05Å; A362-F366 WeakPolarHBondContact O-CD2 3.36Å; A362-A460 HydrophobicContact CB-CB 3.84Å
363	Q	50.5	Low	53.9	Low	38 Å²	38	31.4 Å²	31.4	18%	0.178	15%	0.15	C	C	.	.	H	α-helix	trans	-82.5	-60.9	-177	-71.8	176.7	-13.6	0	0	112	F236 I359 P365	F236-Q363 HydrophobicContact CD2-CB 4.39Å; F236-Q363 HydrophobicContact CE2-CB 4.1Å; F236-Q363 HydrophobicContact CZ-CB 4.3Å; F236-Q363 WeakPolarHBondContact CZ-O 3.49Å; I359-Q363 VanDerWaalsContact CG2-CD 3.43Å; I359-Q363 HydrophobicContact CG2-CG 4.16Å; I359-Q363 WeakPolarHBondContact O-CB 3.4Å; I359-Q363 WeakPolarHBondContact O-CG 3.23Å; I359-Q363 PolarHBondContact O-N 2.9Å; Q363-P365 VanDerWaalsContact C-CD 3.5Å
364	F	48.3	Very low	51.3	Low	30 Å²	30	32.3 Å²	32.3	13%	0.132	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-24.8	-162.3	-70.3	-106.2	0	0	0	116.1	V232 E315 W360	V232-F364 WeakPolarHBondContact O-CD1 3.39Å; E315-F364 HydrophobicContact CB-CZ 4.23Å; E315-F364 WeakPolarHBondContact OE2-CE2 3.35Å; W360-F364 HydrophobicContact CB-CD2 4.45Å; W360-F364 AromaticContact CD1-CD2 3.4Å; W360-F364 VanDerWaalsContact CD1-CD2 3.4Å; W360-F364 AromaticContact CD1-CE2 3.41Å; W360-F364 VanDerWaalsContact CD1-CE2 3.41Å; W360-F364 AromaticContact CD1-CG 3.9Å; W360-F364 AromaticContact CD1-CZ 3.89Å; W360-F364 HydrophobicContact CG-CD2 4.07Å; W360-F364 HydrophobicContact CG-CE2 4.3Å; W360-F364 AromaticContact NE1-CD2 3.96Å; W360-F364 AromaticContact NE1-CG 3.98Å; W360-F364 VanDerWaalsContact O-CD2 3.3Å; W360-F364 WeakPolarHBondContact O-CD2 3.43Å; W360-F364 PolarHBondContact O-N 3.2Å
365	P	48.5	Very low	48.9	Very low	4 Å²	4	38.5 Å²	38.5	3%	0.026	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-11.7	176.9	28.8	-16	0	0	0	116.7	L229 Q361 Q363 H369	L229-P365 HydrophobicContact CD1-CB 3.62Å; L229-P365 HydrophobicContact CD1-CG 3.64Å; L229-P365 HydrophobicContact CD2-CB 4.39Å; L229-P365 HydrophobicContact CD2-CG 3.61Å; L229-P365 HydrophobicContact CG-CB 3.8Å; L229-P365 HydrophobicContact CG-CG 3.58Å; Q361-P365 WeakPolarHBondContact O-CD 3.42Å; Q361-P365 VanDerWaalsContact O-CG 3.28Å; Q361-P365 WeakPolarHBondContact O-CG 3.3Å; Q363-P365 VanDerWaalsContact C-CD 3.5Å; P365-H369 PolarHBondContact O-CE1 2.86Å; P365-H369 PolarHBondContact O-ND1 3.13Å
366	F	45.4	Very low	46.7	Very low	6 Å²	6	42.4 Å²	42.4	3%	0.026	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-82.9	-38.6	-161.7	-85.1	-106.6	0	0	0	116.5	Q361 A362 L368 I458 A460 T529 S530 I532	Q361-F366 VanDerWaalsContact O-CD2 3.3Å; Q361-F366 WeakPolarHBondContact O-CD2 3.39Å; Q361-F366 WeakPolarHBondContact O-CE2 3.37Å; A362-F366 WeakPolarHBondContact O-CB 3.05Å; A362-F366 WeakPolarHBondContact O-CD2 3.36Å; F366-L368 PolarHBondContact O-N 3.01Å; F366-I458 HydrophobicContact CB-CG2 4.26Å; F366-I458 HydrophobicContact CD1-CG2 3.85Å; F366-A460 HydrophobicContact CD1-CB 3.74Å; F366-A460 HydrophobicContact CD2-CB 4.1Å; F366-A460 HydrophobicContact CE1-CB 3.3Å; F366-A460 HydrophobicContact CE2-CB 3.78Å; F366-A460 HydrophobicContact CG-CB 4.1Å; F366-A460 HydrophobicContact CZ-CB 3.33Å; F366-T529 HydrophobicContact CD1-CG2 4.3Å; F366-S530 WeakPolarHBondContact CE1-O 3.3Å; F366-S530 VanDerWaalsContact CZ-N 3.32Å; F366-S530 WeakPolarHBondContact CZ-O 3.22Å; F366-S530 WeakPolarHBondContact CZ-OG 2.96Å; F366-I532 HydrophobicContact CE2-CD1 3.53Å; F366-I532 HydrophobicContact CE2-CG1 3.96Å; F366-I532 HydrophobicContact CZ-CD1 3.47Å; F366-I532 VanDerWaalsContact CZ-CD1 3.47Å; F366-I532 HydrophobicContact CZ-CG1 4.07Å
367	R	44.1	Very low	44.5	Very low	24 Å²	24	45.7 Å²	45.7	9%	0.091	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-79	0.8	178.2	-88.7	-169.9	-178.3	161.3	6.4	114.7	R234 F370 E440 D442	R234-R367 VanDerWaalsContact NH1-C 3.27Å; R234-R367 PolarHBondContact NH1-O 3.41Å; R367-F370 WeakPolarHBondContact O-CD2 3.29Å; R367-F370 WeakPolarHBondContact O-CE2 3.46Å; R367-E440 IonicContact CZ-OE2 2.79Å; R367-E440 IonicContact NH1-OE2 2.73Å; R367-E440 IonicContact NH2-OE1 3.42Å; R367-E440 PolarHBondContact NH2-OE1 2.93Å; R367-E440 IonicContact NH2-OE2 2.83Å; R367-E440 PolarHBondContact NH2-OE2 2.84Å; R367-D442 HydrophobicContact CG-CB 4.31Å; R367-D442 IonicContact CZ-OD1 3.88Å; R367-D442 IonicContact NE-OD1 3.84Å; R367-D442 PolarHBondContact NE-OD1 3.07Å; R367-D442 IonicContact NH2-OD1 3.98Å; R367-D442 PolarHBondContact NH2-OD1 2.85Å
368	L	38.5	Very low	42.3	Very low	35 Å²	35	49.6 Å²	49.6	18%	0.183	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-93.1	-5.3	-163.1	-157.7	118.8	0	0	0	114.9	V232 R234 F366 F370	V232-L368 HydrophobicContact CB-CD1 3.73Å; V232-L368 HydrophobicContact CG1-CD1 3.41Å; V232-L368 VanDerWaalsContact CG1-CD1 3.41Å; V232-L368 HydrophobicContact CG1-CD2 4.39Å; V232-L368 HydrophobicContact CG2-CD1 4.05Å; V232-L368 HydrophobicContact CG2-CD2 4.03Å; R234-L368 HydrophobicContact CG-CD1 4.07Å; F366-L368 PolarHBondContact O-N 3.01Å; L368-F370 VanDerWaalsContact C-N 3.31Å; L368-F370 PolarHBondContact O-N 3.04Å
369	H	47	Very low	40.6	Very low	7 Å²	7	56.2 Å²	56.2	3%	0.032	32%	0.317	C	S	.	.			trans	-108.6	56.4	-152.5	-64.8	152.6	0	0	0	112.4	P365 S527 C528	P365-H369 PolarHBondContact O-CE1 2.86Å; P365-H369 PolarHBondContact O-ND1 3.13Å; H369-S527 WeakPolarHBondContact CD2-CA 3.22Å; H369-S527 VanDerWaalsContact CG-C 3.48Å; H369-C528 PolarHBondContact CE1-O 2.97Å; H369-C528 PolarHBondContact ND1-N 3.2Å; H369-C528 PolarHBondContact ND1-O 3.48Å
370	F	39.1	Very low	38.7	Very low	7 Å²	7	65.3 Å²	65.3	3%	0.031	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-137.2	157.2	-171.3	-62	-60.9	0	0	0	108.5	E211 Y212 Y213 R367 L368 N372 D442 I458	E211-F370 VanDerWaalsContact C-CB 3.49Å; E211-F370 HydrophobicContact CB-CB 3.28Å; E211-F370 HydrophobicContact CB-CD2 3.67Å; E211-F370 HydrophobicContact CB-CG 3.62Å; E211-F370 HydrophobicContact CG-CB 3.38Å; E211-F370 HydrophobicContact CG-CD2 4.43Å; E211-F370 HydrophobicContact CG-CG 4.25Å; E211-F370 WeakPolarHBondContact O-CD1 3.33Å; E211-F370 VanDerWaalsContact O-CE1 3.32Å; E211-F370 WeakPolarHBondContact O-CE1 3.38Å; E211-F370 WeakPolarHBondContact O-CG 3.3Å; Y212-F370 VanDerWaalsContact C-CD1 3.4Å; Y212-F370 VanDerWaalsContact O-CA 3.27Å; Y212-F370 WeakPolarHBondContact O-CA 3.43Å; Y213-F370 HydrophobicContact CD2-CD1 4.43Å; Y213-F370 AromaticContact CD2-CE1 3.93Å; Y213-F370 HydrophobicContact CD2-CE1 3.93Å; Y213-F370 HydrophobicContact CG-CE1 4.44Å; R367-F370 WeakPolarHBondContact O-CD2 3.29Å; R367-F370 WeakPolarHBondContact O-CE2 3.46Å; L368-F370 VanDerWaalsContact C-N 3.31Å; L368-F370 PolarHBondContact O-N 3.04Å; F370-N372 PolarHBondContact O-N 2.85Å; F370-D442 WeakPolarHBondContact CE2-O 3.33Å; F370-D442 WeakPolarHBondContact CZ-O 3.29Å; F370-I458 HydrophobicContact CE1-CD1 4.25Å; F370-I458 HydrophobicContact CE2-CD1 4.25Å; F370-I458 HydrophobicContact CZ-CD1 3.47Å; F370-I458 VanDerWaalsContact CZ-CD1 3.47Å
371	Y	34	Very low	37.2	Very low	73 Å²	73	67 Å²	67	29%	0.286	39%	0.388	S	S	.	.			trans	-40.6	118.3	-164.6	-157.5	-94.4	0	0	0	115.9	Y212 L374 D383	Y212-Y371 PolarHBondContact O-N 3.19Å; Y371-L374 HydrophobicContact CE1-CB 4.09Å; Y371-L374 HydrophobicContact CE2-CB 4.43Å; Y371-L374 HydrophobicContact CE2-CD1 4.18Å; Y371-L374 VanDerWaalsContact OH-CB 3.24Å; Y371-L374 WeakPolarHBondContact OH-CB 3.28Å; Y371-L374 WeakPolarHBondContact OH-CD1 3.41Å; Y371-D383 HydrophobicContact CD1-CB 4.29Å; Y371-D383 WeakPolarHBondContact CE1-OD1 3.45Å
372	N	30.4	Very low	36.7	Very low	90 Å²	90	75.6 Å²	75.6	48%	0.481	43%	0.428	S	S	.	.			trans	-153.7	23.7	173.3	-109.3	-92.4	0	0	0	113.2	F370 K416	F370-N372 PolarHBondContact O-N 2.85Å; N372-K416 PolarHBondContact OD1-NZ 2.82Å
373	K	28.2	Very low	37.2	Very low	141 Å²	141	78.6 Å²	78.6	61%	0.613	44%	0.441	S	S	*	.			trans	-156.1	76	176.6	-153.4	174	-168.2	-180	0	115.1	N525	K373-N525 PolarHBondContact NZ-OD1 2.84Å
374	L	25.8	Very low	38.2	Very low	82 Å²	82	80.2 Å²	80.2	43%	0.429	45%	0.447	S	S	.	.			trans	-130.6	42.3	159.7	-129.7	168	0	0	0	111.8	Y371 S376	Y371-L374 HydrophobicContact CE1-CB 4.09Å; Y371-L374 HydrophobicContact CE2-CB 4.43Å; Y371-L374 HydrophobicContact CE2-CD1 4.18Å; Y371-L374 VanDerWaalsContact OH-CB 3.24Å; Y371-L374 WeakPolarHBondContact OH-CB 3.28Å; Y371-L374 WeakPolarHBondContact OH-CD1 3.41Å; L374-S376 PolarHBondContact O-N 3.08Å
375	T	26.1	Very low	39.6	Very low	130 Å²	130	80.7 Å²	80.7	80%	0.798	45%	0.45	S	S	*	.			trans	-70.8	61.5	167.4	55.5	0	0	0	0	111.2
376	S	25.7	Very low	41.1	Very low	81 Å²	81	86.1 Å²	86.1	57%	0.566	48%	0.475	S	S	*	.	S	Bend	trans	-165.6	87.7	169.6	57.8	0	0	0	0	109.8	L374	L374-S376 PolarHBondContact O-N 3.08Å
377	S	24.2	Very low	42.9	Very low	120 Å²	120	86.7 Å²	86.7	84%	0.839	48%	0.477	S	S	*	.	S	Bend	trans	45.1	94.3	159.4	59.9	0	0	0	0	118.5
378	A	26.9	Very low	44.8	Very low	95 Å²	95	89.5 Å²	89.5	79%	0.785	49%	0.494	S	S	*	.	S	Bend	trans	-178.5	-35.4	140.3	0	0	0	0	0	113.5
379	L	30.2	Very low	46.8	Very low	141 Å²	141	91.7 Å²	91.7	74%	0.738	50%	0.503	S	S	*	.			trans	-119.9	121.8	-170.4	-69.2	166.7	0	0	0	110.9
380	Q	26.3	Very low	48	Very low	204 Å²	204	94.2 Å²	94.2	95%	0.953	52%	0.52	S	S	*	.			trans	-109.3	138.5	167.9	-61.8	171	-78	0	0	107.4
381	G	31	Very low	49.6	Very low	73 Å²	73	99.3 Å²	99.3	75%	0.753	54%	0.544	S	S	*	.	S	Bend	trans	136.4	-88.1	169.2	0	0	0	0	0	115.2
382	E	47.3	Very low	51.3	Low	183 Å²	183	96.9 Å²	96.9	86%	0.855	54%	0.536	S	S	*	.			trans	-120.4	71.8	-148.7	-61.7	178.5	178.8	0	0	113.8	K384	E382-K384 VanDerWaalsContact C-N 3.31Å; E382-K384 PolarHBondContact O-N 3.48Å
383	D	64.4	Low	53	Low	87 Å²	87	93.9 Å²	93.9	47%	0.465	52%	0.521	S	S	.	.			trans	-75.9	-7.2	-175.9	-85.6	1.4	0	0	0	115.3	Y371	Y371-D383 HydrophobicContact CD1-CB 4.29Å; Y371-D383 WeakPolarHBondContact CE1-OD1 3.45Å
384	K	71.3	Confident	54.9	Low	71 Å²	71	88.9 Å²	88.9	31%	0.309	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	148.6	-174.6	-71.7	-164.6	-178.4	-173	0	112.9	L210 E211 E382 N419	L210-K384 WeakPolarHBondContact O-CB 3.41Å; E211-K384 HydrophobicContact CG-CG 4.33Å; E211-K384 WeakPolarHBondContact OE1-CE 3.38Å; E211-K384 IonicContact OE1-NZ 2.82Å; E211-K384 PolarHBondContact OE1-NZ 2.91Å; E382-K384 VanDerWaalsContact C-N 3.31Å; E382-K384 PolarHBondContact O-N 3.48Å; K384-N419 VanDerWaalsContact NZ-CG 3.27Å; K384-N419 PolarHBondContact NZ-ND2 3.33Å; K384-N419 VanDerWaalsContact NZ-ND2 3.2Å; K384-N419 PolarHBondContact NZ-OD1 2.91Å
385	F	76.5	Confident	56.4	Low	41 Å²	41	86.6 Å²	86.6	18%	0.18	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	137.4	164.1	-178.8	-96.2	0	0	0	109.4	T209 L210 Y212 F387 V444 I453 F455	T209-F385 CarbonylContact C-O 3.58Å; T209-F385 WeakPolarHBondContact CA-O 3.46Å; T209-F385 WeakPolarHBondContact CB-O 3.39Å; L210-F385 HydrophobicContact CB-CB 4.29Å; L210-F385 HydrophobicContact CB-CD1 4.2Å; L210-F385 PolarHBondContact N-O 2.78Å; L210-F385 PolarHBondContact O-N 3.32Å; Y212-F385 HydrophobicContact CE2-CB 4.22Å; F385-F387 HydrophobicContact CD1-CD2 4.47Å; F385-F387 HydrophobicContact CD1-CE2 4.17Å; F385-F387 HydrophobicContact CD1-CZ 4.35Å; F385-F387 HydrophobicContact CE1-CD1 4.02Å; F385-F387 HydrophobicContact CE1-CD2 4.13Å; F385-F387 AromaticContact CE1-CE1 3.73Å; F385-F387 HydrophobicContact CE1-CE1 3.73Å; F385-F387 AromaticContact CE1-CE2 3.83Å; F385-F387 HydrophobicContact CE1-CE2 3.83Å; F385-F387 HydrophobicContact CE1-CG 4.23Å; F385-F387 AromaticContact CE1-CZ 3.63Å; F385-F387 HydrophobicContact CE1-CZ 3.63Å; F385-F387 HydrophobicContact CZ-CE1 4.37Å; F385-V444 HydrophobicContact CB-CG2 3.85Å; F385-V444 HydrophobicContact CD1-CG1 4.35Å; F385-V444 HydrophobicContact CG-CG1 4.39Å; F385-V444 HydrophobicContact CG-CG2 4.49Å; F385-I453 HydrophobicContact CD2-CD1 3.54Å; F385-I453 HydrophobicContact CE2-CD1 3.5Å; F385-F455 HydrophobicContact CD1-CE1 4.37Å; F385-F455 AromaticContact CE1-CE1 3.88Å; F385-F455 HydrophobicContact CE1-CE1 3.88Å; F385-F455 HydrophobicContact CE1-CZ 4.2Å; F385-F455 HydrophobicContact CZ-CE1 4.25Å; F385-F455 HydrophobicContact CZ-CZ 4.11Å
386	Q	81	Confident	57.7	Low	118 Å²	118	86.9 Å²	86.9	55%	0.551	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.8	178.6	-53.4	-166.4	6.2	0	0	109.6	T209	T209-Q386 HydrophobicContact CG2-CB 4.23Å; T209-Q386 HydrophobicContact CG2-CG 3.84Å
387	F	83.8	Confident	58.6	Low	18 Å²	18	88.6 Å²	88.6	8%	0.079	49%	0.489	C	S	.	.			trans	-89.7	177.5	169.2	-79.3	-73.8	0	0	0	111.6	R206 G208 L210 F385 H389 S421 R423 F455	R206-F387 HydrophobicContact CB-CB 3.9Å; R206-F387 HydrophobicContact CB-CD1 3.69Å; R206-F387 HydrophobicContact CB-CG 4Å; R206-F387 HydrophobicContact CG-CD1 4.29Å; G208-F387 PolarHBondContact O-N 3.46Å; L210-F387 HydrophobicContact CD1-CE2 3.67Å; L210-F387 HydrophobicContact CD1-CZ 4.12Å; L210-F387 HydrophobicContact CG-CE2 3.9Å; F385-F387 HydrophobicContact CD1-CD2 4.47Å; F385-F387 HydrophobicContact CD1-CE2 4.17Å; F385-F387 HydrophobicContact CD1-CZ 4.35Å; F385-F387 HydrophobicContact CE1-CD1 4.02Å; F385-F387 HydrophobicContact CE1-CD2 4.13Å; F385-F387 AromaticContact CE1-CE1 3.73Å; F385-F387 HydrophobicContact CE1-CE1 3.73Å; F385-F387 AromaticContact CE1-CE2 3.83Å; F385-F387 HydrophobicContact CE1-CE2 3.83Å; F385-F387 HydrophobicContact CE1-CG 4.23Å; F385-F387 AromaticContact CE1-CZ 3.63Å; F385-F387 HydrophobicContact CE1-CZ 3.63Å; F385-F387 HydrophobicContact CZ-CE1 4.37Å; F387-H389 PolarHBondContact O-N 3.32Å; F387-H389 VanDerWaalsContact O-N 3.11Å; F387-S421 VanDerWaalsContact CD2-CB 3.49Å; F387-S421 WeakPolarHBondContact CE2-OG 3.34Å; F387-R423 HydrophobicContact CE1-CG 4.5Å; F387-R423 VanDerWaalsContact CE1-NE 3.29Å; F387-F455 HydrophobicContact CE1-CE1 4.38Å; F387-F455 HydrophobicContact CZ-CD1 4.36Å; F387-F455 AromaticContact CZ-CE1 3.78Å; F387-F455 HydrophobicContact CZ-CE1 3.78Å; F387-F455 HydrophobicContact CZ-CZ 4.46Å
388	D	83.5	Confident	59.3	Low	83 Å²	83	91.2 Å²	91.2	44%	0.444	49%	0.488	S	S	.	.	S	Bend	trans	-50.8	-34.4	-179.2	-51.9	-47.6	0	0	0	111.9	R206	R206-D388 HydrophobicContact CB-CB 4.42Å; R206-D388 WeakPolarHBondContact CB-OD2 3.28Å; R206-D388 VanDerWaalsContact CD-OD2 3.3Å; R206-D388 WeakPolarHBondContact CD-OD2 3.43Å; R206-D388 WeakPolarHBondContact CG-OD2 3.4Å; R206-D388 IonicContact CZ-OD2 3.48Å; R206-D388 IonicContact NE-OD2 2.75Å; R206-D388 IonicContact NH1-OD1 3.52Å; R206-D388 IonicContact NH1-OD2 2.87Å; R206-D388 PolarHBondContact NH1-OD2 2.87Å
389	H	81	Confident	59.6	Low	80 Å²	80	90.5 Å²	90.5	37%	0.37	48%	0.476	S	S	.	.	B	Isolated β-bridge	trans	-119.7	118	163.7	-63.9	-64	0	0	0	111	N204 R206 Y207 G208 F387	N204-H389 PolarHBondContact O-CD2 2.61Å; R206-H389 PolarHBondContact O-N 3.16Å; Y207-H389 CarbonylContact C-O 3.53Å; Y207-H389 VanDerWaalsContact C-O 3.32Å; Y207-H389 WeakPolarHBondContact CA-O 3.44Å; Y207-H389 HydrophobicContact CD1-CB 3.64Å; Y207-H389 HydrophobicContact CE1-CB 3.89Å; Y207-H389 AromaticContact CE1-CD2 3.81Å; Y207-H389 AromaticContact CE1-CG 3.97Å; Y207-H389 HydrophobicContact CG-CB 4.32Å; Y207-H389 AromaticContact CZ-CD2 3.93Å; G208-H389 PolarHBondContact N-O 3.32Å; F387-H389 PolarHBondContact O-N 3.32Å; F387-H389 VanDerWaalsContact O-N 3.11Å
390	P	71.1	Confident	59.7	Low	60 Å²	60	89.3 Å²	89.3	39%	0.39	48%	0.477	S	S	.	.			trans	-79.7	-22.9	-179.3	30.6	-35.2	0	0	0	113.9	G208 T209	G208-P390 CarbonylContact C-O 3.56Å; G208-P390 WeakPolarHBondContact CA-O 3.41Å; T209-P390 HydrophobicContact CG2-CB 3.87Å
391	E	72.4	Confident	60.1	Low	114 Å²	114	86.5 Å²	86.5	53%	0.533	47%	0.467	S	S	.	.	S	Bend	trans	-75.1	162.6	174	-71	169.8	-151.9	0	0	111.3	G208 N397	G208-E391 PolarHBondContact N-O 3.08Å; E391-N397 PolarHBondContact OE2-ND2 2.87Å
392	L	70.5	Confident	60	Low	22 Å²	22	89.7 Å²	89.7	12%	0.115	47%	0.467	C	S	.	.			trans	-98.1	142	175.3	-59.7	-179.8	0	0	0	109.7	F237 Y394 S395 P420 F422	F237-L392 HydrophobicContact CD2-CD1 3.82Å; F237-L392 HydrophobicContact CE2-CD1 3.47Å; F237-L392 VanDerWaalsContact CE2-CD1 3.47Å; F237-L392 HydrophobicContact CZ-CD1 4.18Å; L392-Y394 PolarHBondContact O-N 3.07Å; L392-S395 PolarHBondContact O-N 2.97Å; L392-S395 PolarHBondContact O-OG 3.31Å; L392-P420 HydrophobicContact CD1-CG 3.77Å; L392-P420 HydrophobicContact CD2-CG 3.85Å; L392-P420 HydrophobicContact CG-CG 4.5Å; L392-F422 HydrophobicContact CD2-CD2 4.31Å; L392-F422 HydrophobicContact CD2-CE2 4.25Å
393	P	67	Low	59	Low	27 Å²	27	87.8 Å²	87.8	18%	0.175	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-6.1	-177.6	28.6	-35.5	0	0	0	114.3	Y207 P245 V246	Y207-P393 HydrophobicContact CD1-CB 4.31Å; Y207-P393 HydrophobicContact CD1-CG 4.27Å; Y207-P393 HydrophobicContact CE1-CB 4.28Å; Y207-P393 HydrophobicContact CG-CG 4.34Å; P245-P393 HydrophobicContact CG-CB 4.5Å; P245-P393 WeakPolarHBondContact CG-O 3.31Å; V246-P393 HydrophobicContact CG2-CB 3.45Å; V246-P393 VanDerWaalsContact CG2-CB 3.45Å; V246-P393 HydrophobicContact CG2-CG 3.74Å
394	Y	67.1	Low	57.2	Low	37 Å²	37	90.1 Å²	90.1	15%	0.145	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	4.7	180	-24.6	-68.6	0	0	0	113.4	V239 D244 P245 L392 F422 Y424 R438	V239-Y394 HydrophobicContact CB-CE1 4.45Å; V239-Y394 HydrophobicContact CB-CE2 4.4Å; V239-Y394 HydrophobicContact CG1-CD1 4.12Å; V239-Y394 HydrophobicContact CG1-CE1 4Å; V239-Y394 HydrophobicContact CG2-CD1 4.08Å; V239-Y394 HydrophobicContact CG2-CD2 3.63Å; V239-Y394 HydrophobicContact CG2-CE1 4.34Å; V239-Y394 HydrophobicContact CG2-CE2 3.89Å; V239-Y394 HydrophobicContact CG2-CG 3.73Å; D244-Y394 HydrophobicContact CB-CE1 4.25Å; D244-Y394 PolarHBondContact OD2-OH 3.02Å; P245-Y394 HydrophobicContact CG-CD1 4.18Å; P245-Y394 HydrophobicContact CG-CE1 4.46Å; L392-Y394 PolarHBondContact O-N 3.07Å; Y394-F422 HydrophobicContact CD2-CE2 4.36Å; Y394-F422 HydrophobicContact CE2-CD2 4.17Å; Y394-F422 AromaticContact CE2-CE2 3.65Å; Y394-F422 HydrophobicContact CE2-CE2 3.65Å; Y394-F422 HydrophobicContact CE2-CZ 4.11Å; Y394-Y424 PolarHBondContact OH-OH 2.83Å; Y394-Y424 VanDerWaalsContact OH-OH 3.05Å; Y394-R438 WeakPolarHBondContact OH-CD 3.13Å; Y394-R438 PolarHBondContact OH-NE 2.92Å; Y394-R438 PolarHBondContact OH-NH1 3.49Å
395	S	58.2	Low	54.9	Low	33 Å²	33	90.8 Å²	90.8	23%	0.231	50%	0.498	C	S	.	.			trans	-93	111.7	178.6	53.4	0	0	0	0	110.5	L392 N397	L392-S395 PolarHBondContact O-N 2.97Å; L392-S395 PolarHBondContact O-OG 3.31Å; S395-N397 PolarHBondContact O-N 3.44Å; S395-N397 VanDerWaalsContact O-N 3.16Å
396	D	52.4	Low	52.4	Low	136 Å²	136	94 Å²	94	73%	0.727	53%	0.525	S	S	*	.			trans	-57.8	118.3	165.9	-62.5	-48.1	0	0	0	109.2	E398 C399	D396-E398 PolarHBondContact O-N 3.49Å; D396-C399 PolarHBondContact O-N 3.19Å
397	N	44.9	Very low	49.8	Very low	117 Å²	117	98.3 Å²	98.3	63%	0.626	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	11.1	-178	-78.6	-16.2	0	0	0	113.6	E391 S395	E391-N397 PolarHBondContact OE2-ND2 2.87Å; S395-N397 PolarHBondContact O-N 3.44Å; S395-N397 VanDerWaalsContact O-N 3.16Å
398	E	38.8	Very low	46.9	Very low	175 Å²	175	100.8 Å²	100.8	82%	0.818	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-4.2	176.7	-59.1	-159.7	148.5	0	0	114.2	D396 P400	D396-E398 PolarHBondContact O-N 3.49Å; E398-P400 WeakPolarHBondContact O-CD 3.35Å; E398-P400 WeakPolarHBondContact O-CG 3.18Å; E398-P400 VanDerWaalsContact O-N 3.08Å
399	C	32.9	Very low	44.1	Very low	81 Å²	81	108.9 Å²	108.9	55%	0.547	60%	0.599	S	S	.	*	S	Bend	trans	-60.1	109.1	172.5	-81.8	0	0	0	0	110.9	D396 I401	D396-C399 PolarHBondContact O-N 3.19Å; C399-I401 PolarHBondContact O-N 2.9Å; C399-I401 VanDerWaalsContact O-N 3.08Å
400	P	31.7	Very low	41.5	Very low	115 Å²	115	116 Å²	116	75%	0.747	62%	0.623	S	S	*	*			trans	-77.7	106.6	-167.6	-13.4	29.7	0	0	0	111.2	E398	E398-P400 WeakPolarHBondContact O-CD 3.35Å; E398-P400 WeakPolarHBondContact O-CG 3.18Å; E398-P400 VanDerWaalsContact O-N 3.08Å
401	I	35.2	Very low	39.3	Very low	145 Å²	145	121 Å²	121	74%	0.744	65%	0.645	S	S	*	*	S	Bend	trans	-71	-32.2	-172	-70.4	173.7	0	0	0	113	C399	C399-I401 PolarHBondContact O-N 2.9Å; C399-I401 VanDerWaalsContact O-N 3.08Å
402	D	29.4	Very low	37.1	Very low	141 Å²	141	122.4 Å²	122.4	75%	0.754	66%	0.655	S	S	*	*	S	Bend	trans	-123.5	-7.6	-164.6	-71	-62.6	0	0	0	117.8
403	N	25.4	Very low	35.2	Very low	143 Å²	143	125.4 Å²	125.4	77%	0.765	67%	0.674	S	S	*	*			trans	-126.5	73.7	-162.8	-80	-51.4	0	0	0	117.3
404	V	27.2	Very low	33.4	Very low	136 Å²	136	128.6 Å²	128.6	82%	0.824	70%	0.695	S	S	*	*			trans	-146.9	114	140.1	-174.4	0	0	0	0	110.2
405	A	22.6	Very low	31.7	Very low	85 Å²	85	135.1 Å²	135.1	70%	0.702	72%	0.724	S	S	*	*			trans	-100.6	153.9	167.3	0	0	0	0	0	111.5
406	S	24.8	Very low	30.7	Very low	107 Å²	107	139.1 Å²	139.1	75%	0.748	74%	0.737	S	S	*	*	S	Bend	trans	60.8	81.4	156.6	-59.8	0	0	0	0	118.9
407	K	26	Very low	30	Very low	209 Å²	209	135.9 Å²	135.9	91%	0.909	72%	0.718	S	S	*	*				172.2	146	117.3	-90.9	154.1	-172.9	175.5	0	112.1
408	G	23.8	Very low	30.1	Very low	70 Å²	70	130.3 Å²	130.3	72%	0.722	69%	0.688	S	S	*	*	S	Bend	trans	80.7	134.4	170	0	0	0	0	0	114.5	R410	G408-R410 PolarHBondContact O-N 3.47Å
409	Y	24.1	Very low	30.8	Very low	253 Å²	253	122.9 Å²	122.9	99%	0.992	65%	0.654	S	S	*	*			trans	-57.6	91.4	-175.5	-74.6	-97.8	0	0	0	113.8
410	R	25.9	Very low	32.1	Very low	229 Å²	229	119.2 Å²	119.2	86%	0.864	63%	0.629	S	S	*	*			trans	-122.4	133.4	164.5	-146.2	172.9	-163.5	171.6	6.3	108.9	G408 I412	G408-R410 PolarHBondContact O-N 3.47Å; R410-I412 PolarHBondContact O-N 3.17Å
411	L	25.2	Very low	34	Very low	165 Å²	165	113.7 Å²	113.7	86%	0.864	59%	0.593	S	S	*	*			trans	-69.8	97.8	176.1	-98.7	161	0	0	0	109.2	V413	L411-V413 PolarHBondContact O-N 3.2Å
412	I	27.1	Very low	36.1	Very low	144 Å²	144	106.9 Å²	106.9	74%	0.738	56%	0.558	S	S	*	*			trans	-72.1	79.8	171.8	-52.6	178.5	0	0	0	108.2	R410	R410-I412 PolarHBondContact O-N 3.17Å
413	V	29.6	Very low	38.7	Very low	86 Å²	86	101.3 Å²	101.3	52%	0.521	53%	0.527	S	S	.	.			trans	-83.1	114.7	156.5	-177	0	0	0	0	105.6	L411 K415	L411-V413 PolarHBondContact O-N 3.2Å; V413-K415 PolarHBondContact O-N 3.47Å; V413-K415 VanDerWaalsContact O-N 3.14Å
414	P	29.1	Very low	41.6	Very low	93 Å²	93	94.5 Å²	94.5	60%	0.604	49%	0.49	S	S	*	.			trans	-59.5	122.8	172.7	25	-32.4	0	0	0	107.8	K416	P414-K416 PolarHBondContact O-N 3.01Å
415	K	32.1	Very low	44.4	Very low	175 Å²	175	89.5 Å²	89.5	76%	0.761	46%	0.457	S	S	*	.			trans	-70.2	68.2	-179.5	-73.6	-174.4	177	-178.9	0	110.4	V413 H417	V413-K415 PolarHBondContact O-N 3.47Å; V413-K415 VanDerWaalsContact O-N 3.14Å; K415-H417 PolarHBondContact O-N 2.98Å
416	K	37.1	Very low	47.4	Very low	116 Å²	116	87.3 Å²	87.3	50%	0.504	43%	0.431	S	S	.	.			trans	-58	112.1	164.6	-73.5	-175	172.1	177	0	106.6	N372 P414	N372-K416 PolarHBondContact OD1-NZ 2.82Å; P414-K416 PolarHBondContact O-N 3.01Å
417	H	37.3	Very low	50.4	Low	68 Å²	68	82.9 Å²	82.9	32%	0.315	40%	0.398	S	S	.	.			trans	-53.1	157.8	175.5	-61.4	-103.1	0	0	0	109.9	R234 K415	R234-H417 PolarHBondContact NE-O 2.85Å; R234-H417 VanDerWaalsContact NE-O 3.08Å; K415-H417 PolarHBondContact O-N 2.98Å
418	S	46.2	Very low	53.3	Low	1 Å²	1	77.6 Å²	77.6	1%	0.007	38%	0.38	C	S	.	.			trans	-63.5	140.4	148.6	70	0	0	0	0	106.6	V235 P420	V235-S418 VanDerWaalsContact O-CB 3.31Å; V235-S418 WeakPolarHBondContact O-CB 3.4Å; V235-S418 PolarHBondContact O-N 3.19Å; V235-S418 PolarHBondContact O-OG 3.08Å; S418-P420 WeakPolarHBondContact O-CD 3.48Å
419	N	54.8	Low	56.3	Low	19 Å²	19	74.7 Å²	74.7	10%	0.102	35%	0.348	C	S	.	.			trans	-94.9	89.7	166.9	-23.8	-60.5	0	0	0	105.6	T209 E211 K384	T209-N419 WeakPolarHBondContact O-CB 3.3Å; T209-N419 WeakPolarHBondContact OG1-CB 3.15Å; E211-N419 PolarHBondContact OE1-ND2 3.42Å; K384-N419 VanDerWaalsContact NZ-CG 3.27Å; K384-N419 PolarHBondContact NZ-ND2 3.33Å; K384-N419 VanDerWaalsContact NZ-ND2 3.2Å; K384-N419 PolarHBondContact NZ-OD1 2.91Å
420	P	59.9	Low	59.1	Low	3 Å²	3	64 Å²	64	2%	0.019	31%	0.314	C	S	.	.			trans	-64.8	144.8	154.1	31.8	-31.6	0	0	0	107.1	F237 L392 S418 F422	F237-P420 HydrophobicContact CD2-CG 4.42Å; L392-P420 HydrophobicContact CD1-CG 3.77Å; L392-P420 HydrophobicContact CD2-CG 3.85Å; L392-P420 HydrophobicContact CG-CG 4.5Å; S418-P420 WeakPolarHBondContact O-CD 3.48Å; P420-F422 HydrophobicContact CB-CD2 4.45Å; P420-F422 HydrophobicContact CB-CE1 4.02Å; P420-F422 HydrophobicContact CB-CE2 3.77Å; P420-F422 HydrophobicContact CB-CZ 3.54Å; P420-F422 HydrophobicContact CG-CD2 4.48Å; P420-F422 HydrophobicContact CG-CE2 3.62Å; P420-F422 HydrophobicContact CG-CZ 3.76Å
421	S	71.7	Confident	61.7	Low	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.5	155.8	68.4	0	0	0	0	109.3	Y207 L210 F387 E440 H441	Y207-S421 CarbonylContact O-C 3.04Å; Y207-S421 WeakPolarHBondContact O-CA 3.46Å; Y207-S421 WeakPolarHBondContact O-CB 3.31Å; L210-S421 WeakPolarHBondContact CD2-OG 3.42Å; F387-S421 VanDerWaalsContact CD2-CB 3.49Å; F387-S421 WeakPolarHBondContact CE2-OG 3.34Å; S421-E440 WeakPolarHBondContact O-CA 3.49Å; S421-H441 PolarHBondContact O-N 2.9Å
422	F	79.1	Confident	64.4	Low	2 Å²	2	55.5 Å²	55.5	1%	0.009	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	139.8	175.9	-58	-65.3	0	0	0	110.1	R206 Y207 L392 Y394 P420 Y424 R438 C439	R206-F422 WeakPolarHBondContact CA-O 3.5Å; Y207-F422 PolarHBondContact N-O 2.94Å; Y207-F422 PolarHBondContact O-N 3.04Å; L392-F422 HydrophobicContact CD2-CD2 4.31Å; L392-F422 HydrophobicContact CD2-CE2 4.25Å; Y394-F422 HydrophobicContact CD2-CE2 4.36Å; Y394-F422 HydrophobicContact CE2-CD2 4.17Å; Y394-F422 AromaticContact CE2-CE2 3.65Å; Y394-F422 HydrophobicContact CE2-CE2 3.65Å; Y394-F422 HydrophobicContact CE2-CZ 4.11Å; P420-F422 HydrophobicContact CB-CD2 4.45Å; P420-F422 HydrophobicContact CB-CE1 4.02Å; P420-F422 HydrophobicContact CB-CE2 3.77Å; P420-F422 HydrophobicContact CB-CZ 3.54Å; P420-F422 HydrophobicContact CG-CD2 4.48Å; P420-F422 HydrophobicContact CG-CE2 3.62Å; P420-F422 HydrophobicContact CG-CZ 3.76Å; F422-Y424 HydrophobicContact CB-CE2 4.23Å; F422-R438 HydrophobicContact CB-CG 4.08Å; F422-R438 HydrophobicContact CD1-CG 3.81Å; F422-R438 HydrophobicContact CG-CG 4.17Å; F422-C439 VanDerWaalsContact CA-O 3.3Å; F422-C439 WeakPolarHBondContact CA-O 3.24Å
423	R	83.8	Confident	67	Low	23 Å²	23	49 Å²	49	9%	0.087	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.4	168.6	-61.7	-172.2	-174.8	179.5	13.4	109	D201 R206 F387 R425 C439 H441	D201-R423 IonicContact OD2-NH1 2.85Å; D201-R423 PolarHBondContact OD2-NH1 2.77Å; R206-R423 HydrophobicContact CB-CG 4.44Å; R206-R423 HydrophobicContact CG-CG 4.13Å; F387-R423 HydrophobicContact CE1-CG 4.5Å; F387-R423 VanDerWaalsContact CE1-NE 3.29Å; R423-R425 HydrophobicContact CB-CG 4.39Å; R423-C439 HydrophobicContact CB-CB 4.27Å; R423-C439 PolarHBondContact N-O 3.11Å; R423-C439 WeakPolarHBondContact O-CA 3.15Å; R423-C439 VanDerWaalsContact O-CB 3.27Å; R423-C439 WeakPolarHBondContact O-CB 3.3Å; R423-C439 PolarHBondContact O-N 2.85Å; R423-H441 PolarHBondContact NE-NE2 2.81Å; R423-H441 PolarHBondContact NH2-NE2 3.16Å
424	Y	86.7	Confident	69.6	Low	1 Å²	1	45.2 Å²	45.2	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	117.2	174.4	-61.7	-91.8	0	0	0	108	I202 E205 Y207 D244 V246 I247 Y394 F422 C437 R438	I202-Y424 WeakPolarHBondContact CB-O 3.28Å; I202-Y424 WeakPolarHBondContact CG1-O 3.45Å; I202-Y424 PolarHBondContact N-O 3.21Å; E205-Y424 HydrophobicContact CB-CD2 4.11Å; E205-Y424 HydrophobicContact CB-CG 4.48Å; E205-Y424 PolarHBondContact O-N 2.99Å; E205-Y424 VanDerWaalsContact O-N 3.14Å; Y207-Y424 HydrophobicContact CD2-CD2 4.1Å; Y207-Y424 AromaticContact CD2-CE2 3.7Å; Y207-Y424 HydrophobicContact CD2-CE2 3.7Å; Y207-Y424 HydrophobicContact CE2-CD2 4.13Å; Y207-Y424 AromaticContact CE2-CE2 3.91Å; Y207-Y424 HydrophobicContact CE2-CE2 3.91Å; D244-Y424 PolarHBondContact OD1-OH 2.66Å; D244-Y424 PolarHBondContact OD2-OH 3.3Å; D244-Y424 VanDerWaalsContact OD2-OH 3.05Å; V246-Y424 HydrophobicContact CB-CD1 4.47Å; V246-Y424 HydrophobicContact CB-CD2 4.26Å; V246-Y424 HydrophobicContact CB-CE1 3.91Å; V246-Y424 HydrophobicContact CB-CE2 3.69Å; V246-Y424 VanDerWaalsContact CB-CZ 3.48Å; V246-Y424 HydrophobicContact CG1-CD1 4.09Å; V246-Y424 HydrophobicContact CG1-CD2 3.54Å; V246-Y424 HydrophobicContact CG1-CE1 4.01Å; V246-Y424 HydrophobicContact CG1-CE2 3.47Å; V246-Y424 VanDerWaalsContact CG1-CE2 3.47Å; V246-Y424 HydrophobicContact CG1-CG 3.87Å; V246-Y424 HydrophobicContact CG2-CE2 3.91Å; I247-Y424 HydrophobicContact CG1-CD1 4.32Å; I247-Y424 HydrophobicContact CG1-CE1 3.93Å; Y394-Y424 PolarHBondContact OH-OH 2.83Å; Y394-Y424 VanDerWaalsContact OH-OH 3.05Å; F422-Y424 HydrophobicContact CB-CE2 4.23Å; Y424-C437 WeakPolarHBondContact CA-O 3.16Å; Y424-R438 HydrophobicContact CD1-CB 4.04Å; Y424-R438 HydrophobicContact CD1-CG 4.3Å; Y424-R438 HydrophobicContact CE1-CB 3.57Å; Y424-R438 HydrophobicContact CE1-CG 3.56Å; Y424-R438 HydrophobicContact CE2-CG 4.46Å; Y424-R438 WeakPolarHBondContact OH-CD 3.29Å
425	R	85.6	Confident	72.3	Confident	31 Å²	31	40.8 Å²	40.8	12%	0.117	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.8	-177.5	-61.1	-174.5	81.2	155.7	5	110.4	G199 E200 D201 R423 W427 V436 C437 C439 A507	G199-R425 PolarHBondContact O-NE 2.66Å; G199-R425 PolarHBondContact O-NH2 3.05Å; E200-R425 CarbonylContact O-C 3.59Å; E200-R425 VanDerWaalsContact O-CA 3.32Å; E200-R425 WeakPolarHBondContact O-CA 3.07Å; D201-R425 IonicContact OD1-CZ 3.55Å; D201-R425 VanDerWaalsContact OD1-CZ 3.25Å; D201-R425 IonicContact OD1-NE 3.34Å; D201-R425 PolarHBondContact OD1-NE 3.48Å; D201-R425 IonicContact OD1-NH1 3.8Å; D201-R425 IonicContact OD1-NH2 3.87Å; D201-R425 PolarHBondContact OD1-NH2 3.38Å; R423-R425 HydrophobicContact CB-CG 4.39Å; R425-W427 HydrophobicContact CB-CE3 4.3Å; R425-W427 HydrophobicContact CB-CH2 3.59Å; R425-W427 HydrophobicContact CB-CZ3 3.43Å; R425-W427 VanDerWaalsContact CB-CZ3 3.43Å; R425-W427 HydrophobicContact CG-CH2 4.47Å; R425-W427 WeakPolarHBondContact O-CZ3 3.41Å; R425-V436 WeakPolarHBondContact O-CA 3.22Å; R425-C437 PolarHBondContact N-O 2.78Å; R425-C437 PolarHBondContact O-N 2.74Å; R425-C439 WeakPolarHBondContact CD-SG 3.29Å; R425-C439 WeakPolarHBondContact CG-SG 3.38Å; R425-A507 VanDerWaalsContact NH1-C 3.32Å; R425-A507 PolarHBondContact NH1-O 2.92Å
426	K	86.1	Confident	74.8	Confident	39 Å²	39	32.8 Å²	32.8	17%	0.17	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	143.3	177.8	65.2	-173.3	172.2	84.1	0	112.2	G199 E200 I202 W262 V434 M435 V436	G199-K426 CarbonylContact C-O 3.26Å; G199-K426 WeakPolarHBondContact CA-O 3.41Å; E200-K426 HydrophobicContact CB-CG 3.99Å; E200-K426 PolarHBondContact N-O 2.65Å; E200-K426 PolarHBondContact O-N 2.6Å; E200-K426 IonicContact OE2-NZ 2.65Å; E200-K426 PolarHBondContact OE2-NZ 2.89Å; I202-K426 HydrophobicContact CG1-CB 4.43Å; I202-K426 HydrophobicContact CG1-CD 4.33Å; I202-K426 HydrophobicContact CG1-CG 4.41Å; W262-K426 HydrophobicContact CH2-CD 4.25Å; W262-K426 HydrophobicContact CZ2-CD 3.92Å; K426-V434 HydrophobicContact CB-CG1 4.26Å; K426-M435 CarbonylContact C-O 3.55Å; K426-M435 VanDerWaalsContact CA-O 3.22Å; K426-M435 WeakPolarHBondContact CA-O 3.4Å; K426-V436 HydrophobicContact CB-CG2 4.21Å
427	W	88	Confident	77	Confident	13 Å²	13	27.2 Å²	27.2	5%	0.049	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.2	170.1	-70.8	-104.7	0	0	0	109	R425 L429 V434 M435 C437 L506 W568	R425-W427 HydrophobicContact CB-CE3 4.3Å; R425-W427 HydrophobicContact CB-CH2 3.59Å; R425-W427 HydrophobicContact CB-CZ3 3.43Å; R425-W427 VanDerWaalsContact CB-CZ3 3.43Å; R425-W427 HydrophobicContact CG-CH2 4.47Å; R425-W427 WeakPolarHBondContact O-CZ3 3.41Å; W427-L429 HydrophobicContact CB-CD2 3.94Å; W427-V434 WeakPolarHBondContact O-CA 3.4Å; W427-M435 HydrophobicContact CB-CB 4.42Å; W427-M435 HydrophobicContact CD2-CE 3.94Å; W427-M435 HydrophobicContact CE3-CE 3.54Å; W427-M435 HydrophobicContact CG-CE 4.44Å; W427-M435 HydrophobicContact CZ3-CE 4.01Å; W427-M435 PolarHBondContact N-O 3.49Å; W427-M435 PolarHBondContact O-N 2.78Å; W427-C437 HydrophobicContact CH2-CB 4.45Å; W427-C437 HydrophobicContact CZ3-CB 3.75Å; W427-L506 HydrophobicContact CH2-CB 4.23Å; W427-L506 HydrophobicContact CH2-CD2 4.24Å; W427-L506 WeakPolarHBondContact CH2-O 3.48Å; W427-L506 HydrophobicContact CZ2-CB 4.3Å; W427-L506 HydrophobicContact CZ2-CD2 3.84Å; W427-L506 WeakPolarHBondContact CZ2-O 3.32Å; W427-W568 HydrophobicContact CB-CH2 4.48Å; W427-W568 AromaticContact CD1-CH2 3.73Å; W427-W568 AromaticContact CD1-CZ2 3.76Å; W427-W568 HydrophobicContact CD2-CH2 4.1Å; W427-W568 AromaticContact CG-CH2 3.88Å; W427-W568 HydrophobicContact CG-CH2 3.88Å; W427-W568 HydrophobicContact CG-CZ2 4.37Å; W427-W568 AromaticContact NE1-CH2 3.82Å; W427-W568 AromaticContact NE1-CZ2 3.67Å
428	D	87	Confident	79.3	Confident	98 Å²	98	24.3 Å²	24.3	52%	0.524	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.4	158.3	-176.3	11	0	0	0	108.4	G430 V434	D428-G430 PolarHBondContact OD1-N 2.81Å; D428-V434 HydrophobicContact CB-CG2 4.43Å
429	L	85.1	Confident	81.1	Confident	10 Å²	10	24.3 Å²	24.3	5%	0.052	13%	0.129	C	C	.	.			trans	-105.9	-5.3	176.9	-54.7	-178.6	0	0	0	111.8	L193 V196 W427 I433 M435 W568 R572	L193-L429 HydrophobicContact CD2-CB 4.49Å; V196-L429 HydrophobicContact CG1-CD2 3.71Å; V196-L429 HydrophobicContact CG2-CD2 4.07Å; W427-L429 HydrophobicContact CB-CD2 3.94Å; L429-I433 HydrophobicContact CD1-CG2 4.48Å; L429-I433 PolarHBondContact N-O 2.79Å; L429-M435 HydrophobicContact CD1-CB 3.96Å; L429-M435 HydrophobicContact CD1-SD 4.39Å; L429-M435 HydrophobicContact CG-CB 4.38Å; L429-W568 HydrophobicContact CD1-CZ3 4.42Å; L429-W568 HydrophobicContact CD2-CD2 4.44Å; L429-W568 HydrophobicContact CD2-CE3 3.75Å; L429-W568 HydrophobicContact CD2-CH2 4.36Å; L429-W568 HydrophobicContact CD2-CZ3 3.7Å; L429-R572 VanDerWaalsContact C-NH1 3.28Å; L429-R572 HydrophobicContact CB-CG 4.43Å; L429-R572 HydrophobicContact CD1-CG 4.2Å; L429-R572 PolarHBondContact O-NH1 3.24Å
430	G	83.2	Confident	82.3	Confident	28 Å²	28	23.7 Å²	23.7	29%	0.289	13%	0.126	S	C	.	.	S	Bend	trans	80.9	163.5	-176.1	0	0	0	0	0	114.1	D428 R572	D428-G430 PolarHBondContact OD1-N 2.81Å; G430-R572 PolarHBondContact O-NH1 3.4Å; G430-R572 PolarHBondContact O-NH2 3.19Å
431	N	81.9	Confident	83.3	Confident	138 Å²	138	23.6 Å²	23.6	74%	0.738	13%	0.125	S	C	*	.	S	Bend	trans	57.4	44.7	-164.5	-55.8	-15.2	0	0	0	112.3	I433	N431-I433 PolarHBondContact O-N 2.76Å; N431-I433 VanDerWaalsContact O-N 3.1Å
432	D	80.3	Confident	83.5	Confident	77 Å²	77	24 Å²	24	41%	0.412	13%	0.127	S	C	.	.	S	Bend	trans	55.5	24	178.6	-61.6	-36.2	0	0	0	115.4	N264 Q265 I266	N264-D432 HydrophobicContact CB-CB 3.75Å; N264-D432 VanDerWaalsContact CB-OD2 3.23Å; N264-D432 WeakPolarHBondContact CB-OD2 3.41Å; N264-D432 PolarHBondContact ND2-OD2 3.26Å; Q265-D432 CarbonylContact C-O 3.56Å; Q265-D432 VanDerWaalsContact CA-O 3.28Å; Q265-D432 WeakPolarHBondContact CA-O 3.45Å; I266-D432 PolarHBondContact N-O 2.76Å
433	I	82.6	Confident	83.3	Confident	9 Å²	9	23.9 Å²	23.9	5%	0.046	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.6	177.7	-73.6	155.2	0	0	0	109.9	I266 L429 N431 I575 D576 L579	I266-I433 HydrophobicContact CB-CG1 3.94Å; I266-I433 HydrophobicContact CD1-CG1 4.03Å; I266-I433 HydrophobicContact CG1-CG1 4.43Å; I266-I433 HydrophobicContact CG2-CG1 4.32Å; L429-I433 HydrophobicContact CD1-CG2 4.48Å; L429-I433 PolarHBondContact N-O 2.79Å; N431-I433 PolarHBondContact O-N 2.76Å; N431-I433 VanDerWaalsContact O-N 3.1Å; I433-I575 HydrophobicContact CG2-CG2 4.09Å; I433-D576 WeakPolarHBondContact CD1-OD1 3.27Å; I433-L579 HydrophobicContact CD1-CD1 3.55Å; I433-L579 HydrophobicContact CG1-CD1 3.87Å
434	V	84.1	Confident	83.2	Confident	6 Å²	6	22.8 Å²	22.8	4%	0.036	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.4	174.8	169.1	0	0	0	0	110.1	Q265 I266 T268 K426 W427 D428 V436	Q265-V434 HydrophobicContact CG-CG2 4.14Å; Q265-V434 VanDerWaalsContact NE2-CG2 3.32Å; I266-V434 PolarHBondContact O-N 2.86Å; I266-V434 VanDerWaalsContact O-O 3.06Å; T268-V434 PolarHBondContact N-O 3.35Å; K426-V434 HydrophobicContact CB-CG1 4.26Å; W427-V434 WeakPolarHBondContact O-CA 3.4Å; D428-V434 HydrophobicContact CB-CG2 4.43Å; V434-V436 HydrophobicContact CG1-CG2 4.47Å
435	M	85.1	Confident	82.9	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	132.3	177.3	-162.8	-172.4	80.2	0	0	109.5	F270 H276 K426 W427 L429 C437 W568 L571	F270-M435 HydrophobicContact CD2-CG 3.42Å; F270-M435 VanDerWaalsContact CD2-CG 3.42Å; F270-M435 HydrophobicContact CD2-SD 4.01Å; F270-M435 HydrophobicContact CE2-CG 3.72Å; F270-M435 HydrophobicContact CE2-SD 3.97Å; H276-M435 VanDerWaalsContact CD2-SD 3.59Å; K426-M435 CarbonylContact C-O 3.55Å; K426-M435 VanDerWaalsContact CA-O 3.22Å; K426-M435 WeakPolarHBondContact CA-O 3.4Å; W427-M435 HydrophobicContact CB-CB 4.42Å; W427-M435 HydrophobicContact CD2-CE 3.94Å; W427-M435 HydrophobicContact CE3-CE 3.54Å; W427-M435 HydrophobicContact CG-CE 4.44Å; W427-M435 HydrophobicContact CZ3-CE 4.01Å; W427-M435 PolarHBondContact N-O 3.49Å; W427-M435 PolarHBondContact O-N 2.78Å; L429-M435 HydrophobicContact CD1-CB 3.96Å; L429-M435 HydrophobicContact CD1-SD 4.39Å; L429-M435 HydrophobicContact CG-CB 4.38Å; M435-C437 HydrophobicContact CE-CB 4.22Å; M435-W568 HydrophobicContact CE-CH2 3.7Å; M435-W568 HydrophobicContact CE-CZ3 3.74Å; M435-W568 HydrophobicContact SD-CH2 4.34Å; M435-W568 HydrophobicContact SD-CZ3 3.75Å; M435-L571 HydrophobicContact SD-CD2 3.65Å
436	V	85.3	Confident	82.9	Confident	6 Å²	6	26.4 Å²	26.4	4%	0.036	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125	171.4	175.9	0	0	0	0	109.2	I202 V250 L267 T268 F270 R425 K426 V434	I202-V436 HydrophobicContact CD1-CG1 3.86Å; I202-V436 HydrophobicContact CD1-CG2 4.34Å; V250-V436 HydrophobicContact CG1-CG1 4.33Å; V250-V436 HydrophobicContact CG1-CG2 4.44Å; L267-V436 HydrophobicContact CD1-CG2 3.73Å; T268-V436 PolarHBondContact O-N 3Å; F270-V436 WeakPolarHBondContact CB-O 3.33Å; R425-V436 WeakPolarHBondContact O-CA 3.22Å; K426-V436 HydrophobicContact CB-CG2 4.21Å; V434-V436 HydrophobicContact CG1-CG2 4.47Å
437	C	84	Confident	82.6	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.4	-174.3	-178	0	0	0	0	111.6	F270 E272 H276 Y424 R425 W427 M435 C439	F270-C437 WeakPolarHBondContact O-CA 3.37Å; E272-C437 WeakPolarHBondContact CB-SG 3.49Å; E272-C437 PolarHBondContact OE2-SG 2.71Å; H276-C437 PolarHBondContact CE1-SG 3.21Å; Y424-C437 WeakPolarHBondContact CA-O 3.16Å; R425-C437 PolarHBondContact N-O 2.78Å; R425-C437 PolarHBondContact O-N 2.74Å; W427-C437 HydrophobicContact CH2-CB 4.45Å; W427-C437 HydrophobicContact CZ3-CB 3.75Å; M435-C437 HydrophobicContact CE-CB 4.22Å; C437-C439 PolarHBondContact O-N 3.19Å
438	R	84.1	Confident	82.2	Confident	7 Å²	7	30.3 Å²	30.3	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	90.7	169.1	-175.6	176.2	76.8	-125.8	4.6	111.3	V239 D244 F270 E271 E272 Y394 F422 Y424	V239-R438 PolarHBondContact O-NH2 2.98Å; D244-R438 VanDerWaalsContact OD2-CD 3.27Å; D244-R438 WeakPolarHBondContact OD2-CD 3.35Å; D244-R438 IonicContact OD2-CZ 2.78Å; D244-R438 IonicContact OD2-NE 3.99Å; D244-R438 IonicContact OD2-NH1 2.76Å; D244-R438 PolarHBondContact OD2-NH1 3.37Å; F270-R438 PolarHBondContact O-N 3.01Å; E271-R438 VanDerWaalsContact CD-NH2 3.28Å; E271-R438 IonicContact OE1-CZ 2.74Å; E271-R438 IonicContact OE1-NH1 3.87Å; E271-R438 PolarHBondContact OE1-NH1 3.38Å; E271-R438 IonicContact OE1-NH2 3.35Å; E271-R438 PolarHBondContact OE1-NH2 3.29Å; E271-R438 IonicContact OE2-NH2 2.65Å; E272-R438 WeakPolarHBondContact CB-O 3.41Å; Y394-R438 WeakPolarHBondContact OH-CD 3.13Å; Y394-R438 PolarHBondContact OH-NE 2.92Å; Y394-R438 PolarHBondContact OH-NH1 3.49Å; F422-R438 HydrophobicContact CB-CG 4.08Å; F422-R438 HydrophobicContact CD1-CG 3.81Å; F422-R438 HydrophobicContact CG-CG 4.17Å; Y424-R438 HydrophobicContact CD1-CB 4.04Å; Y424-R438 HydrophobicContact CD1-CG 4.3Å; Y424-R438 HydrophobicContact CE1-CB 3.57Å; Y424-R438 HydrophobicContact CE1-CG 3.56Å; Y424-R438 HydrophobicContact CE2-CG 4.46Å; Y424-R438 WeakPolarHBondContact OH-CD 3.29Å
439	C	85.6	Confident	82	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	155.3	178	-50.5	0	0	0	0	113.6	E272 F422 R423 R425 C437 A507	E272-C439 VanDerWaalsContact CD-CA 3.44Å; E272-C439 VanDerWaalsContact OE1-CA 3.29Å; E272-C439 WeakPolarHBondContact OE1-CA 3.38Å; E272-C439 WeakPolarHBondContact OE2-CA 3.29Å; E272-C439 WeakPolarHBondContact OE2-CB 3.23Å; E272-C439 PolarHBondContact OE2-SG 3.04Å; F422-C439 VanDerWaalsContact CA-O 3.3Å; F422-C439 WeakPolarHBondContact CA-O 3.24Å; R423-C439 HydrophobicContact CB-CB 4.27Å; R423-C439 PolarHBondContact N-O 3.11Å; R423-C439 WeakPolarHBondContact O-CA 3.15Å; R423-C439 VanDerWaalsContact O-CB 3.27Å; R423-C439 WeakPolarHBondContact O-CB 3.3Å; R423-C439 PolarHBondContact O-N 2.85Å; R425-C439 WeakPolarHBondContact CD-SG 3.29Å; R425-C439 WeakPolarHBondContact CG-SG 3.38Å; C437-C439 PolarHBondContact O-N 3.19Å; C439-A507 HydrophobicContact CB-CB 4.12Å
440	E	79.7	Confident	81.5	Confident	6 Å²	6	33.1 Å²	33.1	3%	0.028	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.2	168.1	65.1	161	-153.9	0	0	114.9	E272 Q273 R367 S421 K459 Q503 A507	E272-E440 PolarHBondContact OE1-N 3.27Å; Q273-E440 HydrophobicContact CG-CG 4.3Å; Q273-E440 PolarHBondContact NE2-OE2 2.8Å; R367-E440 IonicContact CZ-OE2 2.79Å; R367-E440 IonicContact NH1-OE2 2.73Å; R367-E440 IonicContact NH2-OE1 3.42Å; R367-E440 PolarHBondContact NH2-OE1 2.93Å; R367-E440 IonicContact NH2-OE2 2.83Å; R367-E440 PolarHBondContact NH2-OE2 2.84Å; S421-E440 WeakPolarHBondContact O-CA 3.49Å; E440-K459 IonicContact OE1-NZ 2.69Å; E440-K459 PolarHBondContact OE1-NZ 2.84Å; E440-Q503 PolarHBondContact OE1-NE2 3.2Å; E440-A507 WeakPolarHBondContact O-CB 3.17Å
441	H	81.3	Confident	81.2	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	153.6	162.1	-58.3	-65	0	0	0	109.9	L210 S421 R423 F455 A507 S509	L210-H441 HydrophobicContact CD1-CB 3.93Å; S421-H441 PolarHBondContact O-N 2.9Å; R423-H441 PolarHBondContact NE-NE2 2.81Å; R423-H441 PolarHBondContact NH2-NE2 3.16Å; H441-F455 AromaticContact CD2-CD1 3.92Å; H441-F455 AromaticContact NE2-CG 3.93Å; H441-A507 PolarHBondContact CE1-O 3.11Å; H441-S509 PolarHBondContact ND1-OG 2.9Å
442	D	74.9	Confident	81.4	Confident	8 Å²	8	33.1 Å²	33.1	4%	0.043	20%	0.203	C	C	.	.			trans	-94.5	-24.2	178.3	-64.8	-70.4	0	0	0	112.7	R367 F370 L456 T457 I458	R367-D442 HydrophobicContact CG-CB 4.31Å; R367-D442 IonicContact CZ-OD1 3.88Å; R367-D442 IonicContact NE-OD1 3.84Å; R367-D442 PolarHBondContact NE-OD1 3.07Å; R367-D442 IonicContact NH2-OD1 3.98Å; R367-D442 PolarHBondContact NH2-OD1 2.85Å; F370-D442 WeakPolarHBondContact CE2-O 3.33Å; F370-D442 WeakPolarHBondContact CZ-O 3.29Å; D442-L456 PolarHBondContact N-O 3.39Å; D442-T457 VanDerWaalsContact OD2-CA 3.28Å; D442-T457 WeakPolarHBondContact OD2-CA 3.09Å; D442-T457 WeakPolarHBondContact OD2-CG2 3.16Å; D442-I458 HydrophobicContact CB-CB 3.68Å; D442-I458 HydrophobicContact CB-CD1 3.95Å; D442-I458 HydrophobicContact CB-CG1 3.9Å; D442-I458 PolarHBondContact OD2-N 3.5Å
443	G	74.7	Confident	81.7	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-169.2	177.2	0	0	0	0	0	114.3	L456	G443-L456 PolarHBondContact N-O 3.2Å; G443-L456 PolarHBondContact O-N 2.88Å
444	V	81.1	Confident	81.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	145	-175.2	-75.7	0	0	0	0	112.8	L210 E211 Y212 Y213 F385 I453 Q454 F455	L210-V444 HydrophobicContact CB-CG1 4.3Å; L210-V444 HydrophobicContact CB-CG2 4.24Å; L210-V444 HydrophobicContact CD1-CG1 3.82Å; E211-V444 PolarHBondContact O-N 2.83Å; Y212-V444 HydrophobicContact CD1-CB 4.34Å; Y212-V444 HydrophobicContact CD1-CG2 3.46Å; Y212-V444 VanDerWaalsContact CD1-CG2 3.46Å; Y212-V444 HydrophobicContact CE1-CB 4.39Å; Y212-V444 HydrophobicContact CE1-CG2 3.62Å; Y212-V444 HydrophobicContact CG-CG2 4.04Å; Y213-V444 WeakPolarHBondContact CB-O 3.08Å; Y213-V444 PolarHBondContact N-O 2.88Å; F385-V444 HydrophobicContact CB-CG2 3.85Å; F385-V444 HydrophobicContact CD1-CG1 4.35Å; F385-V444 HydrophobicContact CG-CG1 4.39Å; F385-V444 HydrophobicContact CG-CG2 4.49Å; V444-I453 HydrophobicContact CB-CG2 3.95Å; V444-I453 HydrophobicContact CG1-CG2 3.58Å; V444-Q454 WeakPolarHBondContact CA-O 3.44Å; V444-F455 HydrophobicContact CG1-CD1 3.53Å; V444-F455 HydrophobicContact CG1-CE1 3.48Å; V444-F455 VanDerWaalsContact CG1-CE1 3.48Å; V444-F455 HydrophobicContact CG1-CG 4.49Å; V444-F455 HydrophobicContact CG1-CZ 4.41Å
445	L	81.7	Confident	82.1	Confident	22 Å²	22	33.9 Å²	33.9	12%	0.115	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.4	168.3	179.2	65.3	0	0	0	108.8	Y213 Q454 L456	Y213-L445 HydrophobicContact CD1-CD1 4Å; Y213-L445 HydrophobicContact CG-CD1 4.5Å; L445-Q454 HydrophobicContact CB-CB 4.32Å; L445-Q454 PolarHBondContact N-O 3.44Å; L445-Q454 PolarHBondContact O-N 2.73Å; L445-L456 HydrophobicContact CB-CD1 4.17Å; L445-L456 HydrophobicContact CB-CD2 4.06Å; L445-L456 HydrophobicContact CB-CG 4.24Å
446	L	84	Confident	81.9	Confident	86 Å²	86	33.9 Å²	33.9	45%	0.45	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127.6	166.1	-62.8	177.6	0	0	0	108.8	Y212 I453	Y212-L446 HydrophobicContact CD1-CD2 4.08Å; Y212-L446 HydrophobicContact CD1-CG 4.06Å; Y212-L446 HydrophobicContact CE1-CD2 3.56Å; Y212-L446 HydrophobicContact CE1-CG 4.06Å; L446-I453 HydrophobicContact CD2-CG1 4.33Å
447	G	80.7	Confident	81.6	Confident	9 Å²	9	33.6 Å²	33.6	9%	0.093	20%	0.203	C	C	.	.			trans	-68.8	175.5	177.4	0	0	0	0	0	113	D449 G450 S452	G447-D449 PolarHBondContact O-N 2.92Å; G447-G450 PolarHBondContact O-N 3.17Å; G447-S452 WeakPolarHBondContact CA-O 3.46Å; G447-S452 PolarHBondContact N-O 2.84Å
448	P	80.4	Confident	81.3	Confident	126 Å²	126	33.8 Å²	33.8	82%	0.818	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.5	-175.7	-25.7	35.5	0	0	0	114.3	G450	P448-G450 PolarHBondContact O-N 3.39Å
449	D	82	Confident	80.9	Confident	123 Å²	123	34.9 Å²	34.9	66%	0.658	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-3.8	-178.6	-29.4	-69	0	0	0	113.1	G447 T451 S452	G447-D449 PolarHBondContact O-N 2.92Å; D449-T451 PolarHBondContact O-N 2.84Å; D449-S452 PolarHBondContact OD2-OG 2.73Å
450	G	74.9	Confident	80.3	Confident	43 Å²	43	35 Å²	35	44%	0.443	21%	0.21	S	C	.	.	S	Bend	trans	75.8	-31.4	-173.7	0	0	0	0	0	114.7	G447 P448	G447-G450 PolarHBondContact O-N 3.17Å; P448-G450 PolarHBondContact O-N 3.39Å
451	T	77.4	Confident	80.2	Confident	125 Å²	125	34.8 Å²	34.8	77%	0.767	21%	0.209	S	C	*	.	S	Bend	trans	-95.9	-25.2	-174.3	-43.7	0	0	0	0	114	D449 I453	D449-T451 PolarHBondContact O-N 2.84Å; T451-I453 PolarHBondContact O-N 3.1Å
452	S	85.3	Confident	80	Confident	41 Å²	41	35 Å²	35	29%	0.287	21%	0.21	S	C	.	.			trans	-81.3	114	-173.5	50.4	0	0	0	0	111.7	G447 D449	G447-S452 WeakPolarHBondContact CA-O 3.46Å; G447-S452 PolarHBondContact N-O 2.84Å; D449-S452 PolarHBondContact OD2-OG 2.73Å
453	I	86.2	Confident	80.2	Confident	53 Å²	53	35.1 Å²	35.1	27%	0.272	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127.9	-176.2	-60	-178.6	0	0	0	111.1	F385 V444 L446 T451 F455	F385-I453 HydrophobicContact CD2-CD1 3.54Å; F385-I453 HydrophobicContact CE2-CD1 3.5Å; V444-I453 HydrophobicContact CB-CG2 3.95Å; V444-I453 HydrophobicContact CG1-CG2 3.58Å; L446-I453 HydrophobicContact CD2-CG1 4.33Å; T451-I453 PolarHBondContact O-N 3.1Å; I453-F455 HydrophobicContact CG2-CE1 4.11Å; I453-F455 HydrophobicContact CG2-CE2 4.28Å; I453-F455 HydrophobicContact CG2-CZ 3.82Å
454	Q	87.7	Confident	80.4	Confident	25 Å²	25	35.7 Å²	35.7	12%	0.117	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115.7	-175.1	-53	-175.1	-17.7	0	0	110	V444 L445 Y511	V444-Q454 WeakPolarHBondContact CA-O 3.44Å; L445-Q454 HydrophobicContact CB-CB 4.32Å; L445-Q454 PolarHBondContact N-O 3.44Å; L445-Q454 PolarHBondContact O-N 2.73Å; Q454-Y511 VanDerWaalsContact OE1-CE2 3.26Å
455	F	87.2	Confident	80.4	Confident	31 Å²	31	36.1 Å²	36.1	14%	0.136	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	134.9	-177.4	-60.3	-78.7	0	0	0	111.8	L210 F385 F387 H441 V444 I453 S509 Q510	L210-F455 HydrophobicContact CD1-CD1 3.96Å; L210-F455 HydrophobicContact CD1-CE1 4.2Å; F385-F455 HydrophobicContact CD1-CE1 4.37Å; F385-F455 AromaticContact CE1-CE1 3.88Å; F385-F455 HydrophobicContact CE1-CE1 3.88Å; F385-F455 HydrophobicContact CE1-CZ 4.2Å; F385-F455 HydrophobicContact CZ-CE1 4.25Å; F385-F455 HydrophobicContact CZ-CZ 4.11Å; F387-F455 HydrophobicContact CE1-CE1 4.38Å; F387-F455 HydrophobicContact CZ-CD1 4.36Å; F387-F455 AromaticContact CZ-CE1 3.78Å; F387-F455 HydrophobicContact CZ-CE1 3.78Å; F387-F455 HydrophobicContact CZ-CZ 4.46Å; H441-F455 AromaticContact CD2-CD1 3.92Å; H441-F455 AromaticContact NE2-CG 3.93Å; V444-F455 HydrophobicContact CG1-CD1 3.53Å; V444-F455 HydrophobicContact CG1-CE1 3.48Å; V444-F455 VanDerWaalsContact CG1-CE1 3.48Å; V444-F455 HydrophobicContact CG1-CG 4.49Å; V444-F455 HydrophobicContact CG1-CZ 4.41Å; I453-F455 HydrophobicContact CG2-CE1 4.11Å; I453-F455 HydrophobicContact CG2-CE2 4.28Å; I453-F455 HydrophobicContact CG2-CZ 3.82Å; F455-S509 WeakPolarHBondContact O-CA 3.26Å; F455-Q510 PolarHBondContact O-N 3.4Å
456	L	80.8	Confident	80.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.9	-176.5	-55.4	-178.7	0	0	0	111.1	Y213 D442 G443 L445 I458 K513	Y213-L456 HydrophobicContact CD2-CD1 4.07Å; Y213-L456 HydrophobicContact CG-CD1 4.09Å; D442-L456 PolarHBondContact N-O 3.39Å; G443-L456 PolarHBondContact N-O 3.2Å; G443-L456 PolarHBondContact O-N 2.88Å; L445-L456 HydrophobicContact CB-CD1 4.17Å; L445-L456 HydrophobicContact CB-CD2 4.06Å; L445-L456 HydrophobicContact CB-CG 4.24Å; L456-I458 HydrophobicContact CB-CD1 4.47Å; L456-I458 HydrophobicContact CB-CG1 4.27Å; L456-I458 HydrophobicContact CD1-CD1 4.43Å; L456-K513 HydrophobicContact CD1-CD 4.42Å
457	T	80.3	Confident	80.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	137.6	154.1	-61.9	0	0	0	0	108.3	D442 K459 A504 S509 Y511 L512 K513	D442-T457 VanDerWaalsContact OD2-CA 3.28Å; D442-T457 WeakPolarHBondContact OD2-CA 3.09Å; D442-T457 WeakPolarHBondContact OD2-CG2 3.16Å; T457-K459 HydrophobicContact CG2-CD 4.36Å; T457-K459 VanDerWaalsContact CG2-CE 3.45Å; T457-K459 HydrophobicContact CG2-CG 3.97Å; T457-A504 HydrophobicContact CG2-CB 3.95Å; T457-S509 PolarHBondContact N-OG 2.94Å; T457-S509 VanDerWaalsContact OG1-CB 3.29Å; T457-S509 WeakPolarHBondContact OG1-CB 3.19Å; T457-S509 PolarHBondContact OG1-OG 3.24Å; T457-Y511 PolarHBondContact N-O 3.36Å; T457-L512 HydrophobicContact CG2-CD1 3.77Å; T457-L512 WeakPolarHBondContact O-CA 3.05Å; T457-K513 PolarHBondContact O-N 3.01Å
458	I	76.5	Confident	80.2	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	115.7	-171.2	-68.5	172.5	0	0	0	107.6	F366 F370 D442 L456 K513 T529	F366-I458 HydrophobicContact CB-CG2 4.26Å; F366-I458 HydrophobicContact CD1-CG2 3.85Å; F370-I458 HydrophobicContact CE1-CD1 4.25Å; F370-I458 HydrophobicContact CE2-CD1 4.25Å; F370-I458 HydrophobicContact CZ-CD1 3.47Å; F370-I458 VanDerWaalsContact CZ-CD1 3.47Å; D442-I458 HydrophobicContact CB-CB 3.68Å; D442-I458 HydrophobicContact CB-CD1 3.95Å; D442-I458 HydrophobicContact CB-CG1 3.9Å; D442-I458 PolarHBondContact OD2-N 3.5Å; L456-I458 HydrophobicContact CB-CD1 4.47Å; L456-I458 HydrophobicContact CB-CG1 4.27Å; L456-I458 HydrophobicContact CD1-CD1 4.43Å; I458-K513 WeakPolarHBondContact CA-O 3.42Å; I458-K513 HydrophobicContact CG1-CB 4.37Å; I458-T529 HydrophobicContact CD1-CG2 4.3Å; I458-T529 HydrophobicContact CG2-CG2 3.48Å; I458-T529 VanDerWaalsContact CG2-CG2 3.48Å
459	K	76.5	Confident	79.9	Confident	29 Å²	29	39.8 Å²	39.8	13%	0.126	22%	0.215	C	C	.	.			trans	-137.1	168.7	-177.8	-55.2	-70	156.1	162.3	0	111.1	E440 T457 W500 Q503 L512 K513 F514	E440-K459 IonicContact OE1-NZ 2.69Å; E440-K459 PolarHBondContact OE1-NZ 2.84Å; T457-K459 HydrophobicContact CG2-CD 4.36Å; T457-K459 VanDerWaalsContact CG2-CE 3.45Å; T457-K459 HydrophobicContact CG2-CG 3.97Å; K459-W500 HydrophobicContact CB-CB 4.39Å; K459-W500 HydrophobicContact CB-CD2 3.63Å; K459-W500 HydrophobicContact CB-CE3 3.87Å; K459-W500 HydrophobicContact CB-CG 3.89Å; K459-W500 HydrophobicContact CB-CZ2 4.42Å; K459-W500 HydrophobicContact CB-CZ3 4.37Å; K459-W500 HydrophobicContact CD-CG 4.24Å; K459-W500 HydrophobicContact CG-CB 4.04Å; K459-W500 HydrophobicContact CG-CD2 4.08Å; K459-W500 HydrophobicContact CG-CG 3.76Å; K459-Q503 VanDerWaalsContact CE-OE1 3.24Å; K459-L512 HydrophobicContact CG-CD1 4.32Å; K459-K513 PolarHBondContact N-O 3.27Å; K459-K513 VanDerWaalsContact N-O 3.09Å; K459-F514 HydrophobicContact CB-CD1 4.39Å; K459-F514 HydrophobicContact CB-CE1 4.35Å
460	A	72.9	Confident	79.4	Confident	4 Å²	4	37.1 Å²	37.1	3%	0.033	22%	0.217	C	C	.	.			trans	-140.9	102.6	-152	0	0	0	0	0	112	A362 F366 W500 I532	A362-A460 HydrophobicContact CB-CB 3.84Å; F366-A460 HydrophobicContact CD1-CB 3.74Å; F366-A460 HydrophobicContact CD2-CB 4.1Å; F366-A460 HydrophobicContact CE1-CB 3.3Å; F366-A460 HydrophobicContact CE2-CB 3.78Å; F366-A460 HydrophobicContact CG-CB 4.1Å; F366-A460 HydrophobicContact CZ-CB 3.33Å; A460-W500 VanDerWaalsContact C-CH2 3.46Å; A460-W500 WeakPolarHBondContact O-CH2 3.46Å; A460-I532 HydrophobicContact CB-CD1 3.68Å
461	F	77.9	Confident	79.5	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.208	C	C	.	.			trans	-71.4	178.7	171.1	-67.6	-89.8	0	0	0	112.2	W474 L486 E489 L497 W500 F514 Y531 I532	F461-W474 HydrophobicContact CB-CH2 4.29Å; F461-L486 HydrophobicContact CZ-CD1 3.89Å; F461-E489 HydrophobicContact CD1-CB 3.92Å; F461-E489 HydrophobicContact CD1-CG 4.2Å; F461-E489 HydrophobicContact CE1-CB 3.64Å; F461-E489 HydrophobicContact CE1-CG 4.38Å; F461-E489 HydrophobicContact CZ-CB 4.43Å; F461-L497 HydrophobicContact CE1-CD1 3.59Å; F461-L497 HydrophobicContact CE1-CD2 3.81Å; F461-L497 HydrophobicContact CE1-CG 3.67Å; F461-L497 HydrophobicContact CE2-CD2 4.48Å; F461-L497 HydrophobicContact CZ-CD1 3.9Å; F461-L497 HydrophobicContact CZ-CD2 3.56Å; F461-L497 HydrophobicContact CZ-CG 3.95Å; F461-W500 HydrophobicContact CD1-CZ3 4.21Å; F461-W500 HydrophobicContact CD2-CZ3 4.49Å; F461-W500 HydrophobicContact CE1-CZ3 4.46Å; F461-W500 HydrophobicContact CG-CZ3 4.24Å; F461-F514 HydrophobicContact CD2-CB 3.99Å; F461-F514 AromaticContact CD2-CD1 3.99Å; F461-F514 HydrophobicContact CD2-CD1 3.99Å; F461-F514 HydrophobicContact CD2-CG 4.04Å; F461-F514 HydrophobicContact CE2-CB 3.86Å; F461-F514 AromaticContact CE2-CD1 3.63Å; F461-F514 HydrophobicContact CE2-CD1 3.63Å; F461-F514 AromaticContact CE2-CD2 3.9Å; F461-F514 HydrophobicContact CE2-CD2 3.9Å; F461-F514 HydrophobicContact CE2-CE1 4.07Å; F461-F514 HydrophobicContact CE2-CE2 4.31Å; F461-F514 AromaticContact CE2-CG 3.52Å; F461-F514 HydrophobicContact CE2-CG 3.52Å; F461-F514 HydrophobicContact CE2-CZ 4.38Å; F461-Y531 HydrophobicContact CB-CD1 3.04Å; F461-Y531 HydrophobicContact CB-CE1 3.79Å; F461-Y531 HydrophobicContact CB-CG 3.5Å; F461-Y531 AromaticContact CD1-CD1 3.96Å; F461-Y531 HydrophobicContact CD1-CD1 3.96Å; F461-Y531 AromaticContact CD1-CE1 3.8Å; F461-Y531 HydrophobicContact CD1-CE1 3.8Å; F461-Y531 AromaticContact CD2-CD1 3.25Å; F461-Y531 HydrophobicContact CD2-CD1 3.25Å; F461-Y531 AromaticContact CD2-CD2 3.93Å; F461-Y531 HydrophobicContact CD2-CD2 3.93Å; F461-Y531 AromaticContact CD2-CE1 3.24Å; F461-Y531 HydrophobicContact CD2-CE1 3.24Å; F461-Y531 AromaticContact CD2-CE2 3.91Å; F461-Y531 HydrophobicContact CD2-CE2 3.91Å; F461-Y531 AromaticContact CD2-CG 3.56Å; F461-Y531 HydrophobicContact CD2-CG 3.56Å; F461-Y531 AromaticContact CD2-CZ 3.57Å; F461-Y531 HydrophobicContact CE1-CE1 4.01Å; F461-Y531 HydrophobicContact CE2-CD1 4Å; F461-Y531 HydrophobicContact CE2-CD2 4.44Å; F461-Y531 AromaticContact CE2-CE1 3.47Å; F461-Y531 HydrophobicContact CE2-CE1 3.47Å; F461-Y531 VanDerWaalsContact CE2-CE1 3.47Å; F461-Y531 AromaticContact CE2-CE2 3.97Å; F461-Y531 HydrophobicContact CE2-CE2 3.97Å; F461-Y531 HydrophobicContact CE2-CG 4.43Å; F461-Y531 AromaticContact CE2-CZ 3.44Å; F461-Y531 VanDerWaalsContact CE2-CZ 3.44Å; F461-Y531 AromaticContact CG-CD1 3.2Å; F461-Y531 HydrophobicContact CG-CD1 3.2Å; F461-Y531 AromaticContact CG-CE1 3.38Å; F461-Y531 HydrophobicContact CG-CE1 3.38Å; F461-Y531 AromaticContact CG-CG 3.84Å; F461-Y531 HydrophobicContact CG-CG 3.84Å; F461-Y531 AromaticContact CZ-CE1 3.82Å; F461-Y531 HydrophobicContact CZ-CE1 3.82Å; F461-Y531 AromaticContact CZ-CZ 3.96Å; F461-Y531 CarbonylContact O-C 3.19Å; F461-Y531 WeakPolarHBondContact O-CA 3.44Å; F461-I532 WeakPolarHBondContact O-CD1 3.48Å; F461-I532 PolarHBondContact O-N 3.46Å
462	N	77.1	Confident	79.8	Confident	5 Å²	5	32.5 Å²	32.5	3%	0.027	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-155.6	122.4	178.5	61.7	-54.6	0	0	0	114.9	A358 W474 K496 I532	A358-N462 HydrophobicContact CB-CB 4.35Å; A358-N462 VanDerWaalsContact CB-ND2 3.34Å; A358-N462 WeakPolarHBondContact CB-ND2 3.31Å; N462-W474 VanDerWaalsContact C-CH2 3.42Å; N462-K496 PolarHBondContact OD1-NZ 2.8Å; N462-I532 CarbonylContact C-O 3.56Å; N462-I532 VanDerWaalsContact CA-O 3.24Å; N462-I532 WeakPolarHBondContact CA-O 3.36Å
463	E	78.7	Confident	79.8	Confident	11 Å²	11	32.3 Å²	32.3	5%	0.051	18%	0.178	C	C	.	.			trans	-93.5	147.3	162.7	171.5	-165.7	-138.5	0	0	108.3	H466 W474 I532 S533	E463-H466 IonicContact OE1-CE1 3.24Å; E463-H466 IonicContact OE1-CG 3.14Å; E463-H466 IonicContact OE1-ND1 2.88Å; E463-H466 PolarHBondContact OE1-ND1 3.34Å; E463-W474 HydrophobicContact CB-CD2 3.73Å; E463-W474 HydrophobicContact CB-CE3 3.49Å; E463-W474 VanDerWaalsContact CB-CE3 3.49Å; E463-W474 HydrophobicContact CB-CH2 3.52Å; E463-W474 HydrophobicContact CB-CZ2 3.74Å; E463-W474 HydrophobicContact CB-CZ3 3.34Å; E463-W474 HydrophobicContact CG-CD2 4.4Å; E463-W474 HydrophobicContact CG-CE3 4.47Å; E463-W474 PolarHBondContact OE1-N 3.22Å; E463-I532 PolarHBondContact N-O 3.37Å; E463-S533 WeakPolarHBondContact CG-OG 3.29Å; E463-S533 WeakPolarHBondContact O-CA 3.38Å; E463-S533 VanDerWaalsContact OE2-CB 3.27Å; E463-S533 WeakPolarHBondContact OE2-CB 3.47Å; E463-S533 PolarHBondContact OE2-OG 3.12Å
464	W	78.6	Confident	79.8	Confident	13 Å²	13	30 Å²	30	5%	0.049	17%	0.166	C	C	.	.	S	Bend	trans	-133.2	-60.7	-178	46.6	-80.2	0	0	0	110.5	P341 N349 L354 I468 A469 P537	P341-W464 HydrophobicContact CG-CH2 4.29Å; P341-W464 HydrophobicContact CG-CZ2 3.96Å; N349-W464 HydrophobicContact CB-CE3 3.98Å; N349-W464 HydrophobicContact CB-CZ3 3.79Å; L354-W464 HydrophobicContact CD1-CD2 4.05Å; L354-W464 HydrophobicContact CD1-CE3 4.32Å; L354-W464 HydrophobicContact CD1-CZ2 4.25Å; L354-W464 HydrophobicContact CD2-CB 3.81Å; L354-W464 HydrophobicContact CD2-CD2 3.91Å; L354-W464 HydrophobicContact CD2-CE3 4.18Å; L354-W464 HydrophobicContact CD2-CG 3.75Å; W464-I468 HydrophobicContact CH2-CB 3.87Å; W464-I468 HydrophobicContact CH2-CG2 3.71Å; W464-I468 HydrophobicContact CZ3-CB 3.73Å; W464-I468 HydrophobicContact CZ3-CD1 4.33Å; W464-I468 HydrophobicContact CZ3-CG2 3.8Å; W464-A469 HydrophobicContact CH2-CB 4.22Å; W464-A469 HydrophobicContact CZ2-CB 3.52Å; W464-P537 WeakPolarHBondContact O-CA 3.46Å; W464-P537 WeakPolarHBondContact O-CB 3.4Å
465	D	81.8	Confident	79.6	Confident	9 Å²	9	32.9 Å²	32.9	5%	0.048	18%	0.176	C	C	.	.			trans	-142.4	101.3	163.3	-165.2	-31.9	0	0	0	109.6	R467 I468 A469 P537	D465-R467 PolarHBondContact O-N 3.01Å; D465-R467 VanDerWaalsContact OD1-CB 3.23Å; D465-R467 WeakPolarHBondContact OD1-CB 3.22Å; D465-R467 WeakPolarHBondContact OD1-CG 3.45Å; D465-R467 IonicContact OD1-CZ 2.66Å; D465-R467 PolarHBondContact OD1-N 2.82Å; D465-R467 IonicContact OD1-NE 3.27Å; D465-R467 PolarHBondContact OD1-NE 3Å; D465-R467 IonicContact OD1-NH2 2.75Å; D465-R467 IonicContact OD2-CZ 3.85Å; D465-R467 IonicContact OD2-NE 2.84Å; D465-R467 PolarHBondContact OD2-NE 3.47Å; D465-R467 IonicContact OD2-NH2 3.29Å; D465-R467 PolarHBondContact OD2-NH2 3.21Å; D465-I468 HydrophobicContact CB-CB 4.31Å; D465-I468 HydrophobicContact CB-CD1 3.99Å; D465-I468 HydrophobicContact CB-CG1 4.05Å; D465-I468 PolarHBondContact O-N 2.77Å; D465-I468 VanDerWaalsContact O-N 3.07Å; D465-A469 WeakPolarHBondContact O-CB 3.24Å; D465-A469 PolarHBondContact O-N 2.71Å; D465-P537 HydrophobicContact CB-CB 3.74Å; D465-P537 VanDerWaalsContact CG-CB 3.47Å; D465-P537 WeakPolarHBondContact OD2-CB 3.34Å
466	H	81.5	Confident	79.5	Confident	42 Å²	42	34.9 Å²	34.9	19%	0.194	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.5	179.7	53.2	-107.8	0	0	0	113.3	E463 G470 G471 D473	E463-H466 IonicContact OE1-CE1 3.24Å; E463-H466 IonicContact OE1-CG 3.14Å; E463-H466 IonicContact OE1-ND1 2.88Å; E463-H466 PolarHBondContact OE1-ND1 3.34Å; H466-G470 PolarHBondContact O-N 3.47Å; H466-G471 PolarHBondContact O-N 3.17Å; H466-D473 VanDerWaalsContact CE1-CB 3.5Å; H466-D473 WeakPolarHBondContact CE1-CB 3.49Å; H466-D473 IonicContact CE1-OD1 3.25Å; H466-D473 PolarHBondContact CE1-OD1 3.3Å; H466-D473 VanDerWaalsContact CE1-OD1 3.27Å; H466-D473 IonicContact ND1-OD1 2.8Å
467	R	81.1	Confident	79.8	Confident	161 Å²	161	38.1 Å²	38.1	61%	0.608	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-31.2	-179.4	-51.7	168.3	-67.5	-164.5	2.2	111.9	D465	D465-R467 PolarHBondContact O-N 3.01Å; D465-R467 VanDerWaalsContact OD1-CB 3.23Å; D465-R467 WeakPolarHBondContact OD1-CB 3.22Å; D465-R467 WeakPolarHBondContact OD1-CG 3.45Å; D465-R467 IonicContact OD1-CZ 2.66Å; D465-R467 PolarHBondContact OD1-N 2.82Å; D465-R467 IonicContact OD1-NE 3.27Å; D465-R467 PolarHBondContact OD1-NE 3Å; D465-R467 IonicContact OD1-NH2 2.75Å; D465-R467 IonicContact OD2-CZ 3.85Å; D465-R467 IonicContact OD2-NE 2.84Å; D465-R467 PolarHBondContact OD2-NE 3.47Å; D465-R467 IonicContact OD2-NH2 3.29Å; D465-R467 PolarHBondContact OD2-NH2 3.21Å
468	I	79.1	Confident	79.9	Confident	92 Å²	92	38.2 Å²	38.2	47%	0.472	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-38.6	178	-51	176.2	0	0	0	109.7	W464 D465 G470	W464-I468 HydrophobicContact CH2-CB 3.87Å; W464-I468 HydrophobicContact CH2-CG2 3.71Å; W464-I468 HydrophobicContact CZ3-CB 3.73Å; W464-I468 HydrophobicContact CZ3-CD1 4.33Å; W464-I468 HydrophobicContact CZ3-CG2 3.8Å; D465-I468 HydrophobicContact CB-CB 4.31Å; D465-I468 HydrophobicContact CB-CD1 3.99Å; D465-I468 HydrophobicContact CB-CG1 4.05Å; D465-I468 PolarHBondContact O-N 2.77Å; D465-I468 VanDerWaalsContact O-N 3.07Å; I468-G470 PolarHBondContact O-N 3.11Å; I468-G470 VanDerWaalsContact O-N 3.16Å
469	A	75	Confident	80.3	Confident	25 Å²	25	41.4 Å²	41.4	21%	0.207	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-5.3	178.5	0	0	0	0	0	115.1	W464 D465 G471	W464-A469 HydrophobicContact CH2-CB 4.22Å; W464-A469 HydrophobicContact CZ2-CB 3.52Å; D465-A469 WeakPolarHBondContact O-CB 3.24Å; D465-A469 PolarHBondContact O-N 2.71Å; A469-G471 PolarHBondContact O-N 3.38Å
470	G	71.6	Confident	80.8	Confident	67 Å²	67	45.1 Å²	45.1	69%	0.691	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	29.3	-169.7	0	0	0	0	0	113	H466 I468	H466-G470 PolarHBondContact O-N 3.47Å; I468-G470 PolarHBondContact O-N 3.11Å; I468-G470 VanDerWaalsContact O-N 3.16Å
471	G	75.8	Confident	81.5	Confident	26 Å²	26	49.1 Å²	49.1	27%	0.268	27%	0.269	S	S	.	.			trans	-95.8	-174.6	-172	0	0	0	0	0	114.4	H466 A469	H466-G471 PolarHBondContact O-N 3.17Å; A469-G471 PolarHBondContact O-N 3.38Å
472	I	84.6	Confident	81.8	Confident	45 Å²	45	53.4 Å²	53.4	23%	0.231	29%	0.285	C	S	.	.			trans	-103.7	135.7	173	-61.4	178.9	0	0	0	107.7	W474 K477 A484 I485 T488	I472-W474 PolarHBondContact O-N 2.85Å; I472-W474 PolarHBondContact O-NE1 3.24Å; I472-K477 HydrophobicContact CG2-CB 3.8Å; I472-K477 HydrophobicContact CG2-CG 3.48Å; I472-K477 VanDerWaalsContact CG2-CG 3.48Å; I472-A484 HydrophobicContact CD1-CB 3.99Å; I472-I485 HydrophobicContact CG2-CG1 4.21Å; I472-T488 VanDerWaalsContact CD1-OG1 3.29Å; I472-T488 WeakPolarHBondContact CD1-OG1 3.37Å
473	D	86	Confident	82.3	Confident	36 Å²	36	55.6 Å²	55.6	19%	0.193	31%	0.309	C	S	.	.			trans	-62.3	116.8	170.2	168	63.7	0	0	0	110.9	H466 R475 S476 K477	H466-D473 VanDerWaalsContact CE1-CB 3.5Å; H466-D473 WeakPolarHBondContact CE1-CB 3.49Å; H466-D473 IonicContact CE1-OD1 3.25Å; H466-D473 PolarHBondContact CE1-OD1 3.3Å; H466-D473 VanDerWaalsContact CE1-OD1 3.27Å; H466-D473 IonicContact ND1-OD1 2.8Å; D473-R475 VanDerWaalsContact C-N 3.34Å; D473-R475 WeakPolarHBondContact OD1-CB 3.23Å; D473-S476 WeakPolarHBondContact OD2-CB 3.42Å; D473-S476 PolarHBondContact OD2-N 3.13Å; D473-S476 PolarHBondContact OD2-OG 3.48Å; D473-K477 WeakPolarHBondContact O-CB 3.44Å; D473-K477 WeakPolarHBondContact O-CG 3.4Å; D473-K477 PolarHBondContact O-N 2.9Å
474	W	85.8	Confident	82.8	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.015	32%	0.322	C	S	.	.	H	α-helix	trans	-71.3	-32.9	-177.2	-64.3	-4	0	0	0	112	F461 N462 E463 I472 S476 K477 I478 I485 E489 M516 Y531 L546	F461-W474 HydrophobicContact CB-CH2 4.29Å; N462-W474 VanDerWaalsContact C-CH2 3.42Å; E463-W474 HydrophobicContact CB-CD2 3.73Å; E463-W474 HydrophobicContact CB-CE3 3.49Å; E463-W474 VanDerWaalsContact CB-CE3 3.49Å; E463-W474 HydrophobicContact CB-CH2 3.52Å; E463-W474 HydrophobicContact CB-CZ2 3.74Å; E463-W474 HydrophobicContact CB-CZ3 3.34Å; E463-W474 HydrophobicContact CG-CD2 4.4Å; E463-W474 HydrophobicContact CG-CE3 4.47Å; E463-W474 PolarHBondContact OE1-N 3.22Å; I472-W474 PolarHBondContact O-N 2.85Å; I472-W474 PolarHBondContact O-NE1 3.24Å; W474-S476 PolarHBondContact O-N 3.03Å; W474-K477 PolarHBondContact O-N 2.94Å; W474-I478 WeakPolarHBondContact O-CB 3.49Å; W474-I478 WeakPolarHBondContact O-CG2 3.44Å; W474-I478 PolarHBondContact O-N 2.81Å; W474-I485 HydrophobicContact CB-CD1 4.37Å; W474-I485 HydrophobicContact CD2-CG2 4.3Å; W474-I485 HydrophobicContact CG-CD1 4.26Å; W474-I485 HydrophobicContact CG-CG2 4.17Å; W474-I485 HydrophobicContact CZ2-CG2 4.34Å; W474-E489 HydrophobicContact CZ2-CG 3.76Å; W474-M516 HydrophobicContact CB-SD 4.32Å; W474-M516 HydrophobicContact CG-SD 4.43Å; W474-Y531 AromaticContact CH2-CD1 3.44Å; W474-Y531 HydrophobicContact CH2-CD1 3.44Å; W474-Y531 VanDerWaalsContact CH2-CD1 3.44Å; W474-Y531 HydrophobicContact CH2-CE1 4.42Å; W474-Y531 HydrophobicContact CH2-CG 4.05Å; W474-Y531 AromaticContact CZ2-CD1 3.72Å; W474-Y531 HydrophobicContact CZ2-CD1 3.72Å; W474-Y531 HydrophobicContact CZ2-CE1 4.29Å; W474-Y531 AromaticContact CZ3-CD1 3.92Å; W474-Y531 HydrophobicContact CZ3-CD1 3.92Å; W474-Y531 HydrophobicContact CZ3-CG 4.05Å; W474-Y531 WeakPolarHBondContact CZ3-O 3.48Å; W474-L546 HydrophobicContact CB-CD1 4.31Å
475	R	82.6	Confident	83.2	Confident	86 Å²	86	56.3 Å²	56.3	33%	0.325	32%	0.319	S	S	.	.	H	α-helix	trans	-52.3	-49.9	-179.4	-144.1	169.9	-105.6	116.4	-14.5	112.1	D473 I518 R534 I535	D473-R475 VanDerWaalsContact C-N 3.34Å; D473-R475 WeakPolarHBondContact OD1-CB 3.23Å; R475-I518 HydrophobicContact CB-CD1 3.46Å; R475-I518 VanDerWaalsContact CB-CD1 3.46Å; R475-I518 HydrophobicContact CG-CD1 3.73Å; R475-I518 HydrophobicContact CG-CG2 4.26Å; R475-I518 VanDerWaalsContact NH1-CD1 3.35Å; R475-I518 PolarHBondContact NH2-O 3.23Å; R475-R534 PolarHBondContact NH2-O 2.95Å; R475-I535 PolarHBondContact NH2-O 2.97Å; R475-I535 VanDerWaalsContact NH2-O 3.09Å
476	S	85.3	Confident	83.5	Confident	73 Å²	73	56.8 Å²	56.8	51%	0.51	32%	0.322	S	S	.	.	H	α-helix	trans	-86	-16.8	-178.2	62.1	0	0	0	0	114.7	D473 W474	D473-S476 WeakPolarHBondContact OD2-CB 3.42Å; D473-S476 PolarHBondContact OD2-N 3.13Å; D473-S476 PolarHBondContact OD2-OG 3.48Å; W474-S476 PolarHBondContact O-N 3.03Å
477	K	87	Confident	83.8	Confident	68 Å²	68	57.5 Å²	57.5	30%	0.296	34%	0.335	S	S	.	.	H	α-helix	trans	-112.7	-14.8	-169.8	-62.8	-51.8	-164.5	157.3	0	115.7	I472 D473 W474 D479 T480 Q481 I485	I472-K477 HydrophobicContact CG2-CB 3.8Å; I472-K477 HydrophobicContact CG2-CG 3.48Å; I472-K477 VanDerWaalsContact CG2-CG 3.48Å; D473-K477 WeakPolarHBondContact O-CB 3.44Å; D473-K477 WeakPolarHBondContact O-CG 3.4Å; D473-K477 PolarHBondContact O-N 2.9Å; W474-K477 PolarHBondContact O-N 2.94Å; K477-D479 PolarHBondContact O-N 3.4Å; K477-T480 PolarHBondContact O-N 3.27Å; K477-Q481 HydrophobicContact CB-CB 4.38Å; K477-Q481 VanDerWaalsContact CE-OE1 3.32Å; K477-Q481 CarbonylContact O-C 3.44Å; K477-Q481 WeakPolarHBondContact O-CA 3.47Å; K477-Q481 PolarHBondContact O-N 2.9Å; K477-I485 HydrophobicContact CB-CD1 3.91Å; K477-I485 HydrophobicContact CB-CG1 4.3Å
478	I	83.2	Confident	84.1	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-40.9	-179	-178	174.6	0	0	0	114.1	W474 R482 M516 L546	W474-I478 WeakPolarHBondContact O-CB 3.49Å; W474-I478 WeakPolarHBondContact O-CG2 3.44Å; W474-I478 PolarHBondContact O-N 2.81Å; I478-R482 WeakPolarHBondContact O-CD 3.46Å; I478-R482 WeakPolarHBondContact O-CG 3.24Å; I478-R482 PolarHBondContact O-NE 3.27Å; I478-M516 HydrophobicContact CB-SD 3.71Å; I478-M516 HydrophobicContact CD1-CB 3.49Å; I478-M516 VanDerWaalsContact CD1-CB 3.49Å; I478-M516 HydrophobicContact CD1-CG 3.82Å; I478-M516 HydrophobicContact CD1-SD 3.47Å; I478-M516 WeakPolarHBondContact CD1-SD 3.35Å; I478-M516 HydrophobicContact CG1-CG 4.37Å; I478-M516 HydrophobicContact CG1-SD 3.43Å; I478-M516 WeakPolarHBondContact CG1-SD 3.17Å; I478-L546 HydrophobicContact CD1-CB 3.6Å; I478-L546 HydrophobicContact CD1-CD1 4.43Å; I478-L546 WeakPolarHBondContact CD1-O 3.46Å
479	D	83.5	Confident	84.4	Confident	71 Å²	71	47.3 Å²	47.3	38%	0.38	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-15.4	-176.3	-61.2	-54.5	0	0	0	113.4	S222 G223 K477 R482	S222-D479 WeakPolarHBondContact CB-OD1 3.46Å; S222-D479 PolarHBondContact OG-OD1 2.91Å; S222-D479 PolarHBondContact OG-OD2 3.22Å; S222-D479 VanDerWaalsContact OG-OD2 3.07Å; G223-D479 VanDerWaalsContact CA-OD2 3.24Å; G223-D479 WeakPolarHBondContact CA-OD2 3.1Å; G223-D479 PolarHBondContact N-OD1 3.03Å; G223-D479 PolarHBondContact N-OD2 3.2Å; K477-D479 PolarHBondContact O-N 3.4Å; D479-R482 IonicContact OD1-NH2 3.97Å
480	T	88.4	Confident	85	Confident	108 Å²	108	48.2 Å²	48.2	66%	0.663	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	-26	-171.3	56	0	0	0	0	114.6	K477	K477-T480 PolarHBondContact O-N 3.27Å
481	Q	87.9	Confident	85.8	Confident	88 Å²	88	50.4 Å²	50.4	41%	0.411	29%	0.286	S	S	.	.			trans	-142.5	38.5	-167.3	-62.9	-170.3	-40.6	0	0	112.9	K477 G483 A484 I485	K477-Q481 HydrophobicContact CB-CB 4.38Å; K477-Q481 VanDerWaalsContact CE-OE1 3.32Å; K477-Q481 CarbonylContact O-C 3.44Å; K477-Q481 WeakPolarHBondContact O-CA 3.47Å; K477-Q481 PolarHBondContact O-N 2.9Å; Q481-G483 VanDerWaalsContact C-N 3.27Å; Q481-G483 PolarHBondContact O-N 2.78Å; Q481-A484 HydrophobicContact CB-CB 4.1Å; Q481-A484 WeakPolarHBondContact O-CB 3.43Å; Q481-A484 PolarHBondContact O-N 2.95Å; Q481-I485 PolarHBondContact O-N 2.94Å
482	R	84	Confident	86.3	Confident	89 Å²	89	49.6 Å²	49.6	34%	0.336	28%	0.275	S	S	.	.	H	α-helix	trans	-46.9	-45.7	178.2	-62.6	-174.1	-177.5	-175.2	-0.7	113.5	I478 D479 A484 I485 L486	I478-R482 WeakPolarHBondContact O-CD 3.46Å; I478-R482 WeakPolarHBondContact O-CG 3.24Å; I478-R482 PolarHBondContact O-NE 3.27Å; D479-R482 IonicContact OD1-NH2 3.97Å; R482-A484 VanDerWaalsContact C-N 3.31Å; R482-A484 PolarHBondContact O-N 2.83Å; R482-I485 PolarHBondContact O-N 3.43Å; R482-L486 PolarHBondContact O-N 3.1Å
483	G	87.5	Confident	86.2	Confident	51 Å²	51	47.6 Å²	47.6	53%	0.526	27%	0.265	S	S	.	.	H	α-helix	trans	-64.5	-29.8	178.2	0	0	0	0	0	114.3	Q481 A487	Q481-G483 VanDerWaalsContact C-N 3.27Å; Q481-G483 PolarHBondContact O-N 2.78Å; G483-A487 VanDerWaalsContact O-CB 3.3Å; G483-A487 WeakPolarHBondContact O-CB 3.31Å; G483-A487 PolarHBondContact O-N 3.41Å
484	A	89	Confident	86.3	Confident	39 Å²	39	47 Å²	47	32%	0.322	26%	0.264	S	S	.	.	H	α-helix	trans	-72.7	-40.5	175.3	0	0	0	0	0	111.3	I472 Q481 R482 A487 T488	I472-A484 HydrophobicContact CD1-CB 3.99Å; Q481-A484 HydrophobicContact CB-CB 4.1Å; Q481-A484 WeakPolarHBondContact O-CB 3.43Å; Q481-A484 PolarHBondContact O-N 2.95Å; R482-A484 VanDerWaalsContact C-N 3.31Å; R482-A484 PolarHBondContact O-N 2.83Å; A484-A487 PolarHBondContact O-N 2.93Å; A484-T488 PolarHBondContact O-N 3.01Å; A484-T488 PolarHBondContact O-OG1 3.41Å; A484-T488 VanDerWaalsContact O-OG1 3.06Å
485	I	86.8	Confident	86.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-49.2	173.4	-64.4	167.2	0	0	0	110.3	I472 W474 K477 Q481 R482 A487 T488 E489 M516 Y531	I472-I485 HydrophobicContact CG2-CG1 4.21Å; W474-I485 HydrophobicContact CB-CD1 4.37Å; W474-I485 HydrophobicContact CD2-CG2 4.3Å; W474-I485 HydrophobicContact CG-CD1 4.26Å; W474-I485 HydrophobicContact CG-CG2 4.17Å; W474-I485 HydrophobicContact CZ2-CG2 4.34Å; K477-I485 HydrophobicContact CB-CD1 3.91Å; K477-I485 HydrophobicContact CB-CG1 4.3Å; Q481-I485 PolarHBondContact O-N 2.94Å; R482-I485 PolarHBondContact O-N 3.43Å; I485-A487 VanDerWaalsContact C-N 3.29Å; I485-A487 PolarHBondContact O-N 3.42Å; I485-T488 WeakPolarHBondContact O-CB 3.45Å; I485-T488 PolarHBondContact O-N 3.46Å; I485-T488 VanDerWaalsContact O-N 3.12Å; I485-E489 PolarHBondContact O-N 3.46Å; I485-M516 HydrophobicContact CB-CE 3.86Å; I485-M516 HydrophobicContact CD1-CE 3.7Å; I485-M516 HydrophobicContact CD1-SD 3.96Å; I485-M516 HydrophobicContact CG1-CE 4.39Å; I485-M516 HydrophobicContact CG2-CE 3.39Å; I485-Y531 HydrophobicContact CG2-CE1 4.19Å
486	L	87.3	Confident	86.4	Confident	19 Å²	19	43 Å²	43	10%	0.099	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-38.6	177.2	179.7	63	0	0	0	112.3	F461 R482 E489 L490 Y531 F551 F556	F461-L486 HydrophobicContact CZ-CD1 3.89Å; R482-L486 PolarHBondContact O-N 3.1Å; L486-E489 PolarHBondContact O-N 2.94Å; L486-L490 VanDerWaalsContact O-CB 3.29Å; L486-L490 WeakPolarHBondContact O-CB 3.43Å; L486-L490 PolarHBondContact O-N 3.1Å; L486-Y531 WeakPolarHBondContact CA-OH 3.5Å; L486-Y531 WeakPolarHBondContact CD1-OH 3.33Å; L486-F551 HydrophobicContact CD2-CE1 4.25Å; L486-F551 HydrophobicContact CD2-CE2 4.21Å; L486-F551 HydrophobicContact CD2-CZ 3.5Å; L486-F556 HydrophobicContact CD1-CE2 4.2Å; L486-F556 HydrophobicContact CD1-CZ 4.32Å; L486-F556 HydrophobicContact CD2-CE2 4.27Å
487	A	89.5	Confident	86.5	Confident	58 Å²	58	39.5 Å²	39.5	48%	0.479	22%	0.224	S	C	.	.	H	α-helix	trans	-67.8	-36.5	175.7	0	0	0	0	0	112.8	G483 A484 I485 K491	G483-A487 VanDerWaalsContact O-CB 3.3Å; G483-A487 WeakPolarHBondContact O-CB 3.31Å; G483-A487 PolarHBondContact O-N 3.41Å; A484-A487 PolarHBondContact O-N 2.93Å; I485-A487 VanDerWaalsContact C-N 3.29Å; I485-A487 PolarHBondContact O-N 3.42Å; A487-K491 PolarHBondContact O-N 2.73Å; A487-K491 VanDerWaalsContact O-N 3.13Å
488	T	87.5	Confident	86.7	Confident	26 Å²	26	36.2 Å²	36.2	16%	0.16	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-44.1	171.4	-60	0	0	0	0	111.1	I472 A484 I485 K491 N492	I472-T488 VanDerWaalsContact CD1-OG1 3.29Å; I472-T488 WeakPolarHBondContact CD1-OG1 3.37Å; A484-T488 PolarHBondContact O-N 3.01Å; A484-T488 PolarHBondContact O-OG1 3.41Å; A484-T488 VanDerWaalsContact O-OG1 3.06Å; I485-T488 WeakPolarHBondContact O-CB 3.45Å; I485-T488 PolarHBondContact O-N 3.46Å; I485-T488 VanDerWaalsContact O-N 3.12Å; T488-K491 WeakPolarHBondContact O-CB 2.93Å; T488-K491 PolarHBondContact O-N 3.24Å; T488-N492 WeakPolarHBondContact O-CB 3.44Å; T488-N492 PolarHBondContact O-N 2.82Å
489	E	83.9	Confident	86.9	Confident	12 Å²	12	37.3 Å²	37.3	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-72.1	-35.4	179.3	-73.2	-58.3	112.7	0	0	113.3	F461 W474 I485 L486 K491 N492 N493 Y531	F461-E489 HydrophobicContact CD1-CB 3.92Å; F461-E489 HydrophobicContact CD1-CG 4.2Å; F461-E489 HydrophobicContact CE1-CB 3.64Å; F461-E489 HydrophobicContact CE1-CG 4.38Å; F461-E489 HydrophobicContact CZ-CB 4.43Å; W474-E489 HydrophobicContact CZ2-CG 3.76Å; I485-E489 PolarHBondContact O-N 3.46Å; L486-E489 PolarHBondContact O-N 2.94Å; E489-K491 PolarHBondContact O-N 3.13Å; E489-N492 PolarHBondContact O-N 3.33Å; E489-N493 WeakPolarHBondContact O-CA 3.22Å; E489-N493 WeakPolarHBondContact O-CB 3.48Å; E489-N493 PolarHBondContact O-N 2.89Å; E489-N493 PolarHBondContact OE2-ND2 3.22Å; E489-Y531 HydrophobicContact CB-CE1 4.27Å; E489-Y531 HydrophobicContact CG-CD1 4.4Å; E489-Y531 HydrophobicContact CG-CE1 3.88Å
490	L	88.7	Confident	87	Confident	44 Å²	44	35.5 Å²	35.5	23%	0.23	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-31.9	170.2	178	58.7	0	0	0	112.5	L486 S494 L497 I560	L486-L490 VanDerWaalsContact O-CB 3.29Å; L486-L490 WeakPolarHBondContact O-CB 3.43Å; L486-L490 PolarHBondContact O-N 3.1Å; L490-S494 VanDerWaalsContact O-CB 3.24Å; L490-S494 WeakPolarHBondContact O-CB 3.3Å; L490-S494 PolarHBondContact O-OG 3.14Å; L490-L497 HydrophobicContact CB-CD1 4.16Å; L490-L497 HydrophobicContact CD1-CD1 4.1Å; L490-I560 HydrophobicContact CD1-CB 3.73Å; L490-I560 HydrophobicContact CD1-CG2 3.74Å; L490-I560 HydrophobicContact CD2-CB 4.46Å; L490-I560 HydrophobicContact CD2-CG2 4.29Å
491	K	87.8	Confident	87.1	Confident	114 Å²	114	30.3 Å²	30.3	50%	0.496	17%	0.171	S	C	.	.	H	α-helix	trans	-74.3	-42.5	172.6	-172.3	-164.5	169.7	-159.1	0	111.8	T336 T338 A487 T488 E489	T336-K491 CarbonylContact C-O 3.38Å; T336-K491 VanDerWaalsContact CB-O 3.3Å; T336-K491 WeakPolarHBondContact CB-O 3.46Å; T336-K491 VanDerWaalsContact O-O 3.12Å; T336-K491 PolarHBondContact OG1-O 3.02Å; T338-K491 VanDerWaalsContact OG1-CE 3.29Å; T338-K491 WeakPolarHBondContact OG1-CE 2.99Å; T338-K491 PolarHBondContact OG1-NZ 3.27Å; A487-K491 PolarHBondContact O-N 2.73Å; A487-K491 VanDerWaalsContact O-N 3.13Å; T488-K491 WeakPolarHBondContact O-CB 2.93Å; T488-K491 PolarHBondContact O-N 3.24Å; E489-K491 PolarHBondContact O-N 3.13Å
492	N	85.4	Confident	87.3	Confident	9 Å²	9	26.1 Å²	26.1	5%	0.048	15%	0.152	C	C	.	.	H	α-helix	trans	-85.4	-29.7	-171.6	-71.8	-9.9	0	0	0	114.5	P334 E335 T336 A337 T488 E489	P334-N492 CarbonylContact C-O 3.55Å; P334-N492 WeakPolarHBondContact CA-O 3.17Å; P334-N492 HydrophobicContact CB-CB 4.33Å; E335-N492 PolarHBondContact N-O 3.34Å; E335-N492 VanDerWaalsContact N-O 3.13Å; T336-N492 PolarHBondContact N-O 3.08Å; T336-N492 VanDerWaalsContact N-O 3.13Å; T336-N492 PolarHBondContact OG1-O 2.75Å; A337-N492 HydrophobicContact CB-CB 4.33Å; A337-N492 PolarHBondContact N-O 2.95Å; T488-N492 WeakPolarHBondContact O-CB 3.44Å; T488-N492 PolarHBondContact O-N 2.82Å; E489-N492 PolarHBondContact O-N 3.33Å
493	N	83.9	Confident	87.3	Confident	2 Å²	2	22.1 Å²	22.1	1%	0.011	14%	0.137	C	C	.	.	S	Bend	trans	-125.6	43.2	-170.7	-81	-72	0	0	0	111.7	R333 T336 E489 K496 L497	R333-N493 PolarHBondContact O-OD1 3.18Å; T336-N493 PolarHBondContact OG1-N 2.85Å; E489-N493 WeakPolarHBondContact O-CA 3.22Å; E489-N493 WeakPolarHBondContact O-CB 3.48Å; E489-N493 PolarHBondContact O-N 2.89Å; E489-N493 PolarHBondContact OE2-ND2 3.22Å; N493-K496 HydrophobicContact CB-CB 4.45Å; N493-K496 VanDerWaalsContact OD1-CE 3.22Å; N493-K496 WeakPolarHBondContact OD1-CE 3.41Å; N493-K496 PolarHBondContact OD1-NZ 2.87Å; N493-L497 WeakPolarHBondContact O-CB 3.27Å; N493-L497 PolarHBondContact O-N 3.45Å
494	S	88.3	Confident	87.4	Confident	23 Å²	23	19.7 Å²	19.7	16%	0.161	11%	0.112	C	C	.	.	H	α-helix	trans	-74.4	-30.3	-162.2	-147	0	0	0	0	116.2	R284 T336 L490 A498	R284-S494 WeakPolarHBondContact CD-O 3.4Å; R284-S494 PolarHBondContact NH1-O 3.45Å; R284-S494 PolarHBondContact NH1-OG 2.93Å; T336-S494 WeakPolarHBondContact OG1-CB 3.43Å; T336-S494 PolarHBondContact OG1-N 3.21Å; L490-S494 VanDerWaalsContact O-CB 3.24Å; L490-S494 WeakPolarHBondContact O-CB 3.3Å; L490-S494 PolarHBondContact O-OG 3.14Å; S494-A498 WeakPolarHBondContact O-CB 3.44Å; S494-A498 PolarHBondContact O-N 3.27Å
495	C	87.7	Confident	87.5	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.007	11%	0.108	C	C	.	.	H	α-helix	trans	-77.5	-48.6	172.5	-165.5	0	0	0	0	109.2	T281 R284 E335 L497 A498 K499	T281-C495 PolarHBondContact O-SG 3.04Å; T281-C495 PolarHBondContact OG1-SG 3.38Å; R284-C495 HydrophobicContact CB-CB 3.76Å; E335-C495 WeakPolarHBondContact OE1-CA 3.39Å; E335-C495 WeakPolarHBondContact OE1-CB 3.47Å; E335-C495 PolarHBondContact OE1-N 3.27Å; E335-C495 VanDerWaalsContact OE2-CB 3.25Å; E335-C495 WeakPolarHBondContact OE2-CB 3.45Å; C495-L497 VanDerWaalsContact C-N 3.27Å; C495-L497 PolarHBondContact O-N 2.93Å; C495-A498 WeakPolarHBondContact O-CA 3.35Å; C495-A498 PolarHBondContact O-N 2.73Å; C495-K499 WeakPolarHBondContact O-CG 3.22Å; C495-K499 PolarHBondContact O-N 2.75Å
496	K	82.3	Confident	87.6	Confident	5 Å²	5	20.4 Å²	20.4	2%	0.022	11%	0.109	C	C	.	.	H	α-helix	trans	-45.4	-49.4	173.8	-176.1	172.1	77	-172.1	0	113	I332 E335 N462 N493 K499 W500	I332-K496 HydrophobicContact CG2-CD 3.79Å; E335-K496 PolarHBondContact OE1-N 3.14Å; E335-K496 VanDerWaalsContact OE1-N 3.07Å; N462-K496 PolarHBondContact OD1-NZ 2.8Å; N493-K496 HydrophobicContact CB-CB 4.45Å; N493-K496 VanDerWaalsContact OD1-CE 3.22Å; N493-K496 WeakPolarHBondContact OD1-CE 3.41Å; N493-K496 PolarHBondContact OD1-NZ 2.87Å; K496-K499 PolarHBondContact O-N 2.74Å; K496-W500 HydrophobicContact CD-CH2 3.62Å; K496-W500 HydrophobicContact CD-CZ2 3.52Å; K496-W500 HydrophobicContact CD-CZ3 4.43Å; K496-W500 VanDerWaalsContact CE-CH2 3.46Å; K496-W500 HydrophobicContact CG-CD2 4.2Å; K496-W500 HydrophobicContact CG-CE3 4.42Å; K496-W500 HydrophobicContact CG-CH2 3.77Å; K496-W500 HydrophobicContact CG-CZ2 3.52Å; K496-W500 HydrophobicContact CG-CZ3 4.23Å; K496-W500 PolarHBondContact O-N 3.03Å
497	L	87.8	Confident	87.6	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.8	-41.3	177.9	-100.1	172.7	0	0	0	114	F461 L490 N493 C495 W500 T501 F514 F556	F461-L497 HydrophobicContact CE1-CD1 3.59Å; F461-L497 HydrophobicContact CE1-CD2 3.81Å; F461-L497 HydrophobicContact CE1-CG 3.67Å; F461-L497 HydrophobicContact CE2-CD2 4.48Å; F461-L497 HydrophobicContact CZ-CD1 3.9Å; F461-L497 HydrophobicContact CZ-CD2 3.56Å; F461-L497 HydrophobicContact CZ-CG 3.95Å; L490-L497 HydrophobicContact CB-CD1 4.16Å; L490-L497 HydrophobicContact CD1-CD1 4.1Å; N493-L497 WeakPolarHBondContact O-CB 3.27Å; N493-L497 PolarHBondContact O-N 3.45Å; C495-L497 VanDerWaalsContact C-N 3.27Å; C495-L497 PolarHBondContact O-N 2.93Å; L497-W500 HydrophobicContact CD2-CE3 4.21Å; L497-T501 WeakPolarHBondContact O-CB 3.5Å; L497-T501 PolarHBondContact O-N 3.49Å; L497-T501 VanDerWaalsContact O-N 3.1Å; L497-T501 PolarHBondContact O-OG1 2.94Å; L497-F514 HydrophobicContact CD2-CE1 4.26Å; L497-F514 HydrophobicContact CD2-CZ 3.94Å; L497-F556 HydrophobicContact CD2-CE1 3.71Å; L497-F556 HydrophobicContact CD2-CZ 3.67Å
498	A	90.6	Very high	87.6	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.4	-38.8	177.4	0	0	0	0	0	111.3	T281 S494 C495 T501 I502 I560	T281-A498 HydrophobicContact CG2-CB 3.5Å; T281-A498 VanDerWaalsContact CG2-CB 3.5Å; S494-A498 WeakPolarHBondContact O-CB 3.44Å; S494-A498 PolarHBondContact O-N 3.27Å; C495-A498 WeakPolarHBondContact O-CA 3.35Å; C495-A498 PolarHBondContact O-N 2.73Å; A498-T501 PolarHBondContact O-N 3.37Å; A498-I502 WeakPolarHBondContact O-CG1 3.48Å; A498-I502 PolarHBondContact O-N 2.98Å; A498-I560 HydrophobicContact CB-CD1 4.24Å
499	K	88	Confident	87.5	Confident	25 Å²	25	17.5 Å²	17.5	11%	0.109	9%	0.094	C	C	.	.	H	α-helix	trans	-58.4	-54.6	175.3	-68	-170.9	-167.8	-167.1	0	111.3	P277 T278 T281 C495 K496 T501 I502 Q503	P277-K499 HydrophobicContact CB-CB 3.72Å; P277-K499 HydrophobicContact CB-CG 3.99Å; T278-K499 VanDerWaalsContact OG1-CE 3.29Å; T278-K499 WeakPolarHBondContact OG1-CE 3.44Å; T278-K499 PolarHBondContact OG1-NZ 3.2Å; T281-K499 HydrophobicContact CG2-CG 4.47Å; T281-K499 WeakPolarHBondContact OG1-CG 3.42Å; C495-K499 WeakPolarHBondContact O-CG 3.22Å; C495-K499 PolarHBondContact O-N 2.75Å; K496-K499 PolarHBondContact O-N 2.74Å; K499-T501 PolarHBondContact O-N 2.95Å; K499-I502 PolarHBondContact O-N 3.32Å; K499-Q503 WeakPolarHBondContact O-CB 3.18Å; K499-Q503 PolarHBondContact O-N 2.87Å
500	W	85.9	Confident	87.8	Confident	32 Å²	32	21.4 Å²	21.4	12%	0.121	11%	0.112	C	C	.	.	H	α-helix	trans	-57.8	-35.2	177.3	-65.6	-20.7	0	0	0	113.6	K459 A460 F461 K496 L497 A504 F514	K459-W500 HydrophobicContact CB-CB 4.39Å; K459-W500 HydrophobicContact CB-CD2 3.63Å; K459-W500 HydrophobicContact CB-CE3 3.87Å; K459-W500 HydrophobicContact CB-CG 3.89Å; K459-W500 HydrophobicContact CB-CZ2 4.42Å; K459-W500 HydrophobicContact CB-CZ3 4.37Å; K459-W500 HydrophobicContact CD-CG 4.24Å; K459-W500 HydrophobicContact CG-CB 4.04Å; K459-W500 HydrophobicContact CG-CD2 4.08Å; K459-W500 HydrophobicContact CG-CG 3.76Å; A460-W500 VanDerWaalsContact C-CH2 3.46Å; A460-W500 WeakPolarHBondContact O-CH2 3.46Å; F461-W500 HydrophobicContact CD1-CZ3 4.21Å; F461-W500 HydrophobicContact CD2-CZ3 4.49Å; F461-W500 HydrophobicContact CE1-CZ3 4.46Å; F461-W500 HydrophobicContact CG-CZ3 4.24Å; K496-W500 HydrophobicContact CD-CH2 3.62Å; K496-W500 HydrophobicContact CD-CZ2 3.52Å; K496-W500 HydrophobicContact CD-CZ3 4.43Å; K496-W500 VanDerWaalsContact CE-CH2 3.46Å; K496-W500 HydrophobicContact CG-CD2 4.2Å; K496-W500 HydrophobicContact CG-CE3 4.42Å; K496-W500 HydrophobicContact CG-CH2 3.77Å; K496-W500 HydrophobicContact CG-CZ2 3.52Å; K496-W500 HydrophobicContact CG-CZ3 4.23Å; K496-W500 PolarHBondContact O-N 3.03Å; L497-W500 HydrophobicContact CD2-CE3 4.21Å; W500-A504 WeakPolarHBondContact O-CB 3.41Å; W500-A504 PolarHBondContact O-N 3Å; W500-A504 VanDerWaalsContact O-N 3.08Å; W500-F514 AromaticContact CE3-CE1 3.93Å; W500-F514 HydrophobicContact CE3-CE1 3.93Å; W500-F514 HydrophobicContact CZ3-CE1 4.38Å
501	T	90.4	Very high	87.8	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-70.6	-45.1	178.4	-52.3	0	0	0	0	111.1	L497 A498 K499 A504 M505 F556 A557 I560 L562	L497-T501 WeakPolarHBondContact O-CB 3.5Å; L497-T501 PolarHBondContact O-N 3.49Å; L497-T501 VanDerWaalsContact O-N 3.1Å; L497-T501 PolarHBondContact O-OG1 2.94Å; A498-T501 PolarHBondContact O-N 3.37Å; K499-T501 PolarHBondContact O-N 2.95Å; T501-A504 PolarHBondContact O-N 3.46Å; T501-M505 HydrophobicContact CG2-SD 4.42Å; T501-M505 VanDerWaalsContact O-CG 3.3Å; T501-M505 WeakPolarHBondContact O-CG 3.38Å; T501-M505 PolarHBondContact O-N 3.05Å; T501-F556 HydrophobicContact CG2-CD1 4.02Å; T501-F556 WeakPolarHBondContact OG1-CD1 3.14Å; T501-F556 WeakPolarHBondContact OG1-CE1 3.34Å; T501-A557 HydrophobicContact CG2-CB 3.85Å; T501-I560 HydrophobicContact CG2-CD1 4.12Å; T501-I560 WeakPolarHBondContact OG1-CD1 3.38Å; T501-L562 HydrophobicContact CG2-CD2 3.84Å
502	I	90.4	Very high	87.7	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.8	-44.3	174.7	-70.8	-175.4	0	0	0	111	P277 M280 T281 A498 K499 A504 M505 L506 L562 M564 A567	P277-I502 HydrophobicContact CB-CB 4.45Å; P277-I502 HydrophobicContact CB-CG2 4.34Å; P277-I502 HydrophobicContact CG-CG2 4.44Å; M280-I502 HydrophobicContact CB-CD1 3.42Å; M280-I502 VanDerWaalsContact CB-CD1 3.42Å; M280-I502 HydrophobicContact CG-CD1 4.31Å; M280-I502 HydrophobicContact SD-CD1 3.93Å; M280-I502 HydrophobicContact SD-CG2 3.52Å; M280-I502 VanDerWaalsContact SD-CG2 3.52Å; T281-I502 HydrophobicContact CG2-CD1 3.53Å; T281-I502 HydrophobicContact CG2-CG1 4.44Å; A498-I502 WeakPolarHBondContact O-CG1 3.48Å; A498-I502 PolarHBondContact O-N 2.98Å; K499-I502 PolarHBondContact O-N 3.32Å; I502-A504 VanDerWaalsContact C-N 3.34Å; I502-A504 PolarHBondContact O-N 2.59Å; I502-M505 CarbonylContact O-C 3.11Å; I502-M505 WeakPolarHBondContact O-CA 3.28Å; I502-M505 PolarHBondContact O-N 2.59Å; I502-L506 HydrophobicContact CG2-CD1 3.73Å; I502-L506 HydrophobicContact CG2-CG 4.05Å; I502-L506 WeakPolarHBondContact O-CG 3.22Å; I502-L506 PolarHBondContact O-N 2.87Å; I502-L562 HydrophobicContact CD1-CD1 4.02Å; I502-L562 HydrophobicContact CD1-CD2 4.36Å; I502-L562 HydrophobicContact CG1-CD1 4.22Å; I502-L562 HydrophobicContact CG1-CD2 3.64Å; I502-L562 HydrophobicContact CG1-CG 4.5Å; I502-M564 HydrophobicContact CG1-SD 4.37Å; I502-A567 HydrophobicContact CD1-CB 4.12Å
503	Q	85.6	Confident	87.5	Confident	5 Å²	5	16.2 Å²	16.2	2%	0.023	9%	0.086	C	C	.	.	H	α-helix	trans	-54.6	-50.6	176.8	-158.4	-163.2	5.8	0	0	111	E272 P277 E440 K459 K499 M505 L506 A507	E272-Q503 HydrophobicContact CG-CG 4.03Å; P277-Q503 HydrophobicContact CG-CB 4.29Å; E440-Q503 PolarHBondContact OE1-NE2 3.2Å; K459-Q503 VanDerWaalsContact CE-OE1 3.24Å; K499-Q503 WeakPolarHBondContact O-CB 3.18Å; K499-Q503 PolarHBondContact O-N 2.87Å; Q503-M505 VanDerWaalsContact C-N 3.26Å; Q503-M505 PolarHBondContact O-N 2.57Å; Q503-L506 PolarHBondContact O-N 2.88Å; Q503-A507 WeakPolarHBondContact O-CB 2.99Å; Q503-A507 PolarHBondContact O-N 3.01Å
504	A	88.1	Confident	87.1	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.1	-28.7	176.3	0	0	0	0	0	113.7	T457 W500 T501 I502 G508 S509 L512 T553	T457-A504 HydrophobicContact CG2-CB 3.95Å; W500-A504 WeakPolarHBondContact O-CB 3.41Å; W500-A504 PolarHBondContact O-N 3Å; W500-A504 VanDerWaalsContact O-N 3.08Å; T501-A504 PolarHBondContact O-N 3.46Å; I502-A504 VanDerWaalsContact C-N 3.34Å; I502-A504 PolarHBondContact O-N 2.59Å; A504-G508 PolarHBondContact O-N 3.49Å; A504-S509 PolarHBondContact O-N 2.7Å; A504-L512 HydrophobicContact CB-CD1 4.23Å; A504-L512 HydrophobicContact CB-CD2 4.48Å; A504-T553 HydrophobicContact CB-CG2 3.47Å; A504-T553 VanDerWaalsContact CB-CG2 3.47Å
505	M	91	Very high	85.6	Confident	52 Å²	52	15 Å²	15	26%	0.256	8%	0.078	S	C	.	.	H	α-helix	trans	-79.1	-37.7	176.8	-70.8	-173.9	76.9	0	0	113.3	T501 I502 Q503 G508 T553 T554 A557 M564	T501-M505 HydrophobicContact CG2-SD 4.42Å; T501-M505 VanDerWaalsContact O-CG 3.3Å; T501-M505 WeakPolarHBondContact O-CG 3.38Å; T501-M505 PolarHBondContact O-N 3.05Å; I502-M505 CarbonylContact O-C 3.11Å; I502-M505 WeakPolarHBondContact O-CA 3.28Å; I502-M505 PolarHBondContact O-N 2.59Å; Q503-M505 VanDerWaalsContact C-N 3.26Å; Q503-M505 PolarHBondContact O-N 2.57Å; M505-G508 PolarHBondContact O-N 3.48Å; M505-T553 HydrophobicContact CG-CG2 3.52Å; M505-T554 HydrophobicContact CE-CG2 4.38Å; M505-A557 HydrophobicContact CE-CB 4.49Å; M505-A557 HydrophobicContact SD-CB 3.65Å; M505-M564 HydrophobicContact CE-CG 3.51Å; M505-M564 HydrophobicContact CE-SD 3.98Å; M505-M564 HydrophobicContact SD-CG 3.99Å; M505-M564 HydrophobicContact SD-SD 3.7Å
506	L	90.3	Very high	83.6	Confident	2 Å²	2	15.2 Å²	15.2	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-69.3	-46.4	175.8	-67.1	174.2	0	0	0	110.7	E272 H276 M280 W427 I502 Q503 G508 W568	E272-L506 HydrophobicContact CG-CB 4.16Å; E272-L506 HydrophobicContact CG-CD1 4.13Å; E272-L506 WeakPolarHBondContact OE2-CB 3.49Å; H276-L506 HydrophobicContact CB-CD1 4.09Å; M280-L506 HydrophobicContact CE-CD1 4.42Å; M280-L506 HydrophobicContact CE-CD2 4.17Å; W427-L506 HydrophobicContact CH2-CB 4.23Å; W427-L506 HydrophobicContact CH2-CD2 4.24Å; W427-L506 WeakPolarHBondContact CH2-O 3.48Å; W427-L506 HydrophobicContact CZ2-CB 4.3Å; W427-L506 HydrophobicContact CZ2-CD2 3.84Å; W427-L506 WeakPolarHBondContact CZ2-O 3.32Å; I502-L506 HydrophobicContact CG2-CD1 3.73Å; I502-L506 HydrophobicContact CG2-CG 4.05Å; I502-L506 WeakPolarHBondContact O-CG 3.22Å; I502-L506 PolarHBondContact O-N 2.87Å; Q503-L506 PolarHBondContact O-N 2.88Å; L506-G508 PolarHBondContact O-N 3.09Å; L506-G508 VanDerWaalsContact O-N 3.15Å; L506-W568 HydrophobicContact CD2-CH2 3.65Å; L506-W568 HydrophobicContact CD2-CZ2 3.8Å
507	A	87.2	Confident	81.4	Confident	1 Å²	1	15 Å²	15	1%	0.008	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.9	168.7	0	0	0	0	0	113.5	E272 R425 C439 E440 H441 Q503 S509	E272-A507 WeakPolarHBondContact OE1-CB 3.48Å; E272-A507 PolarHBondContact OE1-N 2.88Å; E272-A507 PolarHBondContact OE2-N 2.8Å; R425-A507 VanDerWaalsContact NH1-C 3.32Å; R425-A507 PolarHBondContact NH1-O 2.92Å; C439-A507 HydrophobicContact CB-CB 4.12Å; E440-A507 WeakPolarHBondContact O-CB 3.17Å; H441-A507 PolarHBondContact CE1-O 3.11Å; Q503-A507 WeakPolarHBondContact O-CB 2.99Å; Q503-A507 PolarHBondContact O-N 3.01Å; A507-S509 VanDerWaalsContact C-N 3.32Å
508	G	88.6	Confident	78.9	Confident	36 Å²	36	15 Å²	15	37%	0.371	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	28.6	-175	0	0	0	0	0	113.2	A504 M505 L506 Q510	A504-G508 PolarHBondContact O-N 3.49Å; M505-G508 PolarHBondContact O-N 3.48Å; L506-G508 PolarHBondContact O-N 3.09Å; L506-G508 VanDerWaalsContact O-N 3.15Å; G508-Q510 PolarHBondContact O-N 2.69Å
509	S	86.5	Confident	76.1	Confident	5 Å²	5	15.2 Å²	15.2	4%	0.035	8%	0.079	C	C	.	.			trans	-59.6	128.6	169.2	-68.5	0	0	0	0	109.5	H441 F455 T457 A504 A507 Y511 T553	H441-S509 PolarHBondContact ND1-OG 2.9Å; F455-S509 WeakPolarHBondContact O-CA 3.26Å; T457-S509 PolarHBondContact N-OG 2.94Å; T457-S509 VanDerWaalsContact OG1-CB 3.29Å; T457-S509 WeakPolarHBondContact OG1-CB 3.19Å; T457-S509 PolarHBondContact OG1-OG 3.24Å; A504-S509 PolarHBondContact O-N 2.7Å; A507-S509 VanDerWaalsContact C-N 3.32Å; S509-Y511 VanDerWaalsContact C-N 3.3Å; S509-Y511 PolarHBondContact O-N 2.93Å; S509-T553 WeakPolarHBondContact O-CB 2.8Å; S509-T553 PolarHBondContact O-OG1 3.17Å
510	Q	89.1	Confident	73.2	Confident	93 Å²	93	20.8 Å²	20.8	44%	0.435	10%	0.104	S	C	.	.	S	Bend	trans	-70	-33.5	-178.4	-66.1	-179.1	2.3	0	0	111.5	F455 G508 K552 T553	F455-Q510 PolarHBondContact O-N 3.4Å; G508-Q510 PolarHBondContact O-N 2.69Å; Q510-K552 WeakPolarHBondContact O-CG 3.5Å; Q510-T553 PolarHBondContact O-N 2.94Å; Q510-T553 PolarHBondContact O-OG1 2.79Å
511	Y	88.3	Confident	70.5	Confident	58 Å²	58	24.3 Å²	24.3	23%	0.227	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.3	179.3	-63	-82.5	0	0	0	112.2	Q454 T457 S509 Q550 F551 K552	Q454-Y511 VanDerWaalsContact OE1-CE2 3.26Å; T457-Y511 PolarHBondContact N-O 3.36Å; S509-Y511 VanDerWaalsContact C-N 3.3Å; S509-Y511 PolarHBondContact O-N 2.93Å; Y511-Q550 HydrophobicContact CD1-CG 3.72Å; Y511-Q550 HydrophobicContact CE1-CG 4.49Å; Y511-Q550 HydrophobicContact CG-CG 4.12Å; Y511-Q550 VanDerWaalsContact CG-NE2 3.27Å; Y511-F551 CarbonylContact C-O 3.59Å; Y511-F551 VanDerWaalsContact CA-O 3.28Å; Y511-F551 WeakPolarHBondContact CA-O 2.88Å; Y511-F551 WeakPolarHBondContact CD1-O 3.43Å; Y511-K552 HydrophobicContact CD1-CB 4.29Å; Y511-K552 HydrophobicContact CE1-CB 4.21Å; Y511-K552 HydrophobicContact CE1-CG 4.34Å
512	L	86.3	Confident	67.5	Low	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	117.5	169.3	-178.8	55.6	0	0	0	107.5	T457 K459 A504 F514 F551 F556	T457-L512 HydrophobicContact CG2-CD1 3.77Å; T457-L512 WeakPolarHBondContact O-CA 3.05Å; K459-L512 HydrophobicContact CG-CD1 4.32Å; A504-L512 HydrophobicContact CB-CD1 4.23Å; A504-L512 HydrophobicContact CB-CD2 4.48Å; L512-F514 HydrophobicContact CD1-CE1 4.2Å; L512-F514 HydrophobicContact CD1-CZ 4.35Å; L512-F514 HydrophobicContact CD2-CE1 4.08Å; L512-F514 HydrophobicContact CD2-CE2 4.24Å; L512-F514 HydrophobicContact CD2-CZ 3.5Å; L512-F514 VanDerWaalsContact CD2-CZ 3.5Å; L512-F514 HydrophobicContact CG-CE1 3.95Å; L512-F514 HydrophobicContact CG-CE2 4.13Å; L512-F514 HydrophobicContact CG-CZ 3.62Å; L512-F551 PolarHBondContact N-O 3.08Å; L512-F551 PolarHBondContact O-N 3.28Å; L512-F556 HydrophobicContact CD2-CD1 3.89Å; L512-F556 HydrophobicContact CD2-CE1 4.28Å
513	K	80.9	Confident	64.7	Low	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.4	175.2	-86	-174.5	-176.8	-77.4	0	110.5	Y213 D218 L456 T457 I458 K459 I548 Q550	Y213-K513 HydrophobicContact CD2-CD 4.42Å; Y213-K513 HydrophobicContact CE1-CD 4.21Å; Y213-K513 HydrophobicContact CE2-CD 3.78Å; Y213-K513 PolarHBondContact OH-NZ 3.15Å; D218-K513 IonicContact OD1-NZ 3.77Å; D218-K513 PolarHBondContact OD1-NZ 3.23Å; D218-K513 IonicContact OD2-NZ 3.45Å; D218-K513 PolarHBondContact OD2-NZ 3.35Å; L456-K513 HydrophobicContact CD1-CD 4.42Å; T457-K513 PolarHBondContact O-N 3.01Å; I458-K513 WeakPolarHBondContact CA-O 3.42Å; I458-K513 HydrophobicContact CG1-CB 4.37Å; K459-K513 PolarHBondContact N-O 3.27Å; K459-K513 VanDerWaalsContact N-O 3.09Å; K513-I548 HydrophobicContact CD-CG2 4.41Å; K513-Q550 HydrophobicContact CG-CB 3.93Å; K513-Q550 HydrophobicContact CG-CG 4.06Å
514	F	75.4	Confident	62.1	Low	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	165.3	160	-42.5	-74.3	0	0	0	107.8	K459 F461 L497 W500 L512 I548 Q549 F551 F556	K459-F514 HydrophobicContact CB-CD1 4.39Å; K459-F514 HydrophobicContact CB-CE1 4.35Å; F461-F514 HydrophobicContact CD2-CB 3.99Å; F461-F514 AromaticContact CD2-CD1 3.99Å; F461-F514 HydrophobicContact CD2-CD1 3.99Å; F461-F514 HydrophobicContact CD2-CG 4.04Å; F461-F514 HydrophobicContact CE2-CB 3.86Å; F461-F514 AromaticContact CE2-CD1 3.63Å; F461-F514 HydrophobicContact CE2-CD1 3.63Å; F461-F514 AromaticContact CE2-CD2 3.9Å; F461-F514 HydrophobicContact CE2-CD2 3.9Å; F461-F514 HydrophobicContact CE2-CE1 4.07Å; F461-F514 HydrophobicContact CE2-CE2 4.31Å; F461-F514 AromaticContact CE2-CG 3.52Å; F461-F514 HydrophobicContact CE2-CG 3.52Å; F461-F514 HydrophobicContact CE2-CZ 4.38Å; L497-F514 HydrophobicContact CD2-CE1 4.26Å; L497-F514 HydrophobicContact CD2-CZ 3.94Å; W500-F514 AromaticContact CE3-CE1 3.93Å; W500-F514 HydrophobicContact CE3-CE1 3.93Å; W500-F514 HydrophobicContact CZ3-CE1 4.38Å; L512-F514 HydrophobicContact CD1-CE1 4.2Å; L512-F514 HydrophobicContact CD1-CZ 4.35Å; L512-F514 HydrophobicContact CD2-CE1 4.08Å; L512-F514 HydrophobicContact CD2-CE2 4.24Å; L512-F514 HydrophobicContact CD2-CZ 3.5Å; L512-F514 VanDerWaalsContact CD2-CZ 3.5Å; L512-F514 HydrophobicContact CG-CE1 3.95Å; L512-F514 HydrophobicContact CG-CE2 4.13Å; L512-F514 HydrophobicContact CG-CZ 3.62Å; F514-I548 VanDerWaalsContact O-CG2 3.22Å; F514-I548 WeakPolarHBondContact O-CG2 3.47Å; F514-Q549 PolarHBondContact N-O 3.11Å; F514-Q549 CarbonylContact O-C 3.5Å; F514-Q549 PolarHBondContact O-N 3.15Å; F514-F551 AromaticContact CD2-CD2 3.85Å; F514-F551 HydrophobicContact CD2-CD2 3.85Å; F514-F551 AromaticContact CD2-CE2 3.92Å; F514-F551 HydrophobicContact CD2-CE2 3.92Å; F514-F551 AromaticContact CE2-CD2 3.77Å; F514-F551 HydrophobicContact CE2-CD2 3.77Å; F514-F551 HydrophobicContact CE2-CE2 4.04Å; F514-F556 HydrophobicContact CE2-CD1 4.43Å; F514-F556 HydrophobicContact CE2-CD2 4.31Å; F514-F556 AromaticContact CE2-CE1 3.91Å; F514-F556 HydrophobicContact CE2-CE1 3.91Å; F514-F556 AromaticContact CE2-CE2 3.78Å; F514-F556 HydrophobicContact CE2-CE2 3.78Å; F514-F556 AromaticContact CE2-CZ 3.56Å; F514-F556 HydrophobicContact CE2-CZ 3.56Å; F514-F556 HydrophobicContact CZ-CD1 4.29Å; F514-F556 AromaticContact CZ-CE1 3.65Å; F514-F556 HydrophobicContact CZ-CE1 3.65Å; F514-F556 HydrophobicContact CZ-CE2 4.37Å; F514-F556 AromaticContact CZ-CZ 3.7Å; F514-F556 HydrophobicContact CZ-CZ 3.7Å
515	G	57.6	Low	59.3	Low	1 Å²	1	53.5 Å²	53.5	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	-169	160.2	0	0	0	0	0	111.7	S530 Y531 G547	G515-S530 VanDerWaalsContact CA-CA 3.48Å; G515-S530 PolarHBondContact N-O 3.02Å; G515-S530 CarbonylContact O-C 3.41Å; G515-S530 VanDerWaalsContact O-O 3.05Å; G515-Y531 VanDerWaalsContact C-CD2 3.45Å; G515-Y531 WeakPolarHBondContact O-CA 2.95Å; G515-Y531 WeakPolarHBondContact O-CB 3.3Å; G515-Y531 WeakPolarHBondContact O-CD2 3.38Å; G515-Y531 PolarHBondContact O-N 3.27Å; G515-G547 CarbonylContact C-O 3.32Å; G515-G547 VanDerWaalsContact C-O 3.26Å; G515-G547 WeakPolarHBondContact CA-O 3.28Å
516	M	45.6	Very low	56.7	Low	5 Å²	5	52.9 Å²	52.9	3%	0.025	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	168.6	177.3	-73.4	-164.9	-177.7	0	0	114.9	W474 I478 I485 S530 Y531 I545 L546 G547	W474-M516 HydrophobicContact CB-SD 4.32Å; W474-M516 HydrophobicContact CG-SD 4.43Å; I478-M516 HydrophobicContact CB-SD 3.71Å; I478-M516 HydrophobicContact CD1-CB 3.49Å; I478-M516 VanDerWaalsContact CD1-CB 3.49Å; I478-M516 HydrophobicContact CD1-CG 3.82Å; I478-M516 HydrophobicContact CD1-SD 3.47Å; I478-M516 WeakPolarHBondContact CD1-SD 3.35Å; I478-M516 HydrophobicContact CG1-CG 4.37Å; I478-M516 HydrophobicContact CG1-SD 3.43Å; I478-M516 WeakPolarHBondContact CG1-SD 3.17Å; I485-M516 HydrophobicContact CB-CE 3.86Å; I485-M516 HydrophobicContact CD1-CE 3.7Å; I485-M516 HydrophobicContact CD1-SD 3.96Å; I485-M516 HydrophobicContact CG1-CE 4.39Å; I485-M516 HydrophobicContact CG2-CE 3.39Å; M516-S530 WeakPolarHBondContact O-CB 3.27Å; M516-Y531 CarbonylContact C-O 3.43Å; M516-Y531 HydrophobicContact CB-CD2 4.17Å; M516-Y531 HydrophobicContact CE-CD1 4.46Å; M516-Y531 HydrophobicContact CE-CD2 3.62Å; M516-Y531 HydrophobicContact CE-CE1 4.24Å; M516-Y531 HydrophobicContact CE-CE2 3.38Å; M516-Y531 HydrophobicContact CE-CG 4.31Å; M516-Y531 HydrophobicContact CG-CD2 3.13Å; M516-Y531 HydrophobicContact CG-CE2 3.86Å; M516-Y531 HydrophobicContact CG-CG 3.69Å; M516-Y531 HydrophobicContact SD-CD2 4.25Å; M516-I545 CarbonylContact O-C 3.55Å; M516-I545 VanDerWaalsContact O-CA 3.31Å; M516-I545 WeakPolarHBondContact O-CA 3.35Å; M516-I545 VanDerWaalsContact O-CG2 3.28Å; M516-I545 WeakPolarHBondContact O-CG2 3.31Å; M516-L546 VanDerWaalsContact C-N 3.28Å; M516-L546 HydrophobicContact CB-CB 3.74Å; M516-L546 HydrophobicContact CB-CD1 4.28Å; M516-L546 PolarHBondContact O-N 3.28Å; M516-G547 PolarHBondContact N-O 2.78Å; M516-G547 PolarHBondContact O-N 3.2Å
517	T	36.5	Very low	54	Low	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	160.8	-169.4	-40.9	0	0	0	0	115.1	S530 Y531 I532 S533 H543 V544 L546	T517-S530 WeakPolarHBondContact OG1-CB 3.12Å; T517-S530 PolarHBondContact OG1-OG 3.33Å; T517-Y531 WeakPolarHBondContact CA-O 3.35Å; T517-Y531 WeakPolarHBondContact CB-O 2.94Å; T517-Y531 PolarHBondContact N-O 3.25Å; T517-Y531 PolarHBondContact OG1-N 3.46Å; T517-Y531 PolarHBondContact OG1-O 2.84Å; T517-I532 HydrophobicContact CG2-CB 4.26Å; T517-I532 HydrophobicContact CG2-CG1 4.45Å; T517-I532 HydrophobicContact CG2-CG2 3.9Å; T517-I532 WeakPolarHBondContact OG1-CA 3.36Å; T517-I532 PolarHBondContact OG1-N 3.06Å; T517-S533 WeakPolarHBondContact O-CB 3.41Å; T517-H543 HydrophobicContact CG2-CB 3.99Å; T517-V544 CarbonylContact C-O 3.53Å; T517-V544 WeakPolarHBondContact CA-O 3.07Å; T517-V544 WeakPolarHBondContact CB-O 3.02Å; T517-V544 WeakPolarHBondContact CG2-O 3.11Å; T517-L546 VanDerWaalsContact O-CD1 3.3Å; T517-L546 WeakPolarHBondContact O-CD1 3.2Å
518	I	34.3	Very low	51.6	Low	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.269	C	S	.	.			trans	-172.3	3.3	-180	-117.9	160.7	0	0	0	122.8	E226 R475 S533 R534 I535 V544 L546	E226-I518 VanDerWaalsContact OE2-CG2 3.27Å; E226-I518 WeakPolarHBondContact OE2-CG2 3.15Å; R475-I518 HydrophobicContact CB-CD1 3.46Å; R475-I518 VanDerWaalsContact CB-CD1 3.46Å; R475-I518 HydrophobicContact CG-CD1 3.73Å; R475-I518 HydrophobicContact CG-CG2 4.26Å; R475-I518 VanDerWaalsContact NH1-CD1 3.35Å; R475-I518 PolarHBondContact NH2-O 3.23Å; I518-S533 CarbonylContact C-O 3.38Å; I518-S533 VanDerWaalsContact CA-O 3.26Å; I518-S533 WeakPolarHBondContact CA-O 3.35Å; I518-S533 PolarHBondContact N-O 2.91Å; I518-R534 CarbonylContact O-C 3.36Å; I518-I535 WeakPolarHBondContact O-CA 3.11Å; I518-I535 PolarHBondContact O-N 3.33Å; I518-V544 HydrophobicContact CG2-CG2 4.4Å; I518-V544 PolarHBondContact N-O 3.09Å; I518-L546 HydrophobicContact CB-CD1 3.92Å; I518-L546 HydrophobicContact CB-CD2 4.07Å; I518-L546 HydrophobicContact CB-CG 3.96Å; I518-L546 HydrophobicContact CD1-CD1 3.92Å; I518-L546 HydrophobicContact CG1-CD1 4.37Å; I518-L546 HydrophobicContact CG2-CD1 4.43Å; I518-L546 HydrophobicContact CG2-CD2 3.71Å; I518-L546 HydrophobicContact CG2-CG 4.18Å
519	T	31.6	Very low	48.9	Very low	4 Å²	4	52.3 Å²	52.3	3%	0.025	25%	0.252	C	S	.	.			trans	74.3	147.7	174.9	-17.8	0	0	0	0	126.5	S533 R534 I535 K542 H543 V544	T519-S533 PolarHBondContact OG1-O 2.6Å; T519-R534 VanDerWaalsContact OG1-C 3.28Å; T519-R534 WeakPolarHBondContact OG1-CA 3.42Å; T519-I535 VanDerWaalsContact C-CG1 3.49Å; T519-I535 VanDerWaalsContact CB-N 3.32Å; T519-I535 HydrophobicContact CG2-CD1 3.6Å; T519-I535 HydrophobicContact CG2-CG1 4.1Å; T519-I535 VanDerWaalsContact O-CG1 3.22Å; T519-I535 WeakPolarHBondContact O-CG1 3.48Å; T519-I535 PolarHBondContact OG1-N 2.98Å; T519-K542 HydrophobicContact CG2-CB 3.78Å; T519-K542 HydrophobicContact CG2-CG 4.23Å; T519-K542 VanDerWaalsContact OG1-C 3.29Å; T519-K542 PolarHBondContact OG1-O 3.1Å; T519-H543 WeakPolarHBondContact OG1-CA 3.29Å; T519-H543 PolarHBondContact OG1-N 3.33Å; T519-V544 VanDerWaalsContact CA-CB 3.5Å; T519-V544 VanDerWaalsContact CA-CG2 3.43Å
520	F	27	Very low	46.4	Very low	143 Å²	143	52 Å²	52	63%	0.627	25%	0.25	S	S	*	.			trans	-166.1	175.3	171.5	-141.3	-96.1	0	0	0	111.6	V544	F520-V544 HydrophobicContact CB-CG1 3.69Å
521	N	30.8	Very low	44.2	Very low	105 Å²	105	47.7 Å²	47.7	56%	0.561	23%	0.23	S	C	*	.			trans	-99.3	137.1	-176.8	-94.7	-9.6	0	0	0	115.2	K542	N521-K542 PolarHBondContact OD1-NZ 3.23Å
522	F	26.7	Very low	42.6	Very low	195 Å²	195	44.9 Å²	44.9	86%	0.855	22%	0.219	S	C	*	.			trans	38.9	99.1	146.6	-146.6	-88.3	0	0	0	121
523	I	31.7	Very low	41.5	Very low	143 Å²	143	45 Å²	45	73%	0.733	22%	0.22	S	C	*	.			trans	-167.1	163.4	140.6	-103.9	156.8	0	0	0	110
524	K	29.8	Very low	41.2	Very low	178 Å²	178	45.1 Å²	45.1	77%	0.774	22%	0.22	S	C	*	.	S	Bend	trans	-70.6	156.2	-162.5	-60.4	176.7	179.3	178.2	0	115.6
525	N	29.6	Very low	41.1	Very low	102 Å²	102	48.5 Å²	48.5	55%	0.545	24%	0.238	S	C	.	.			trans	80.4	118.9	175.1	-42.2	-90.1	0	0	0	115.5	Q230 K373	Q230-N525 VanDerWaalsContact NE2-C 3.28Å; Q230-N525 PolarHBondContact NE2-O 3.33Å; Q230-N525 VanDerWaalsContact NE2-O 3.17Å; K373-N525 PolarHBondContact NZ-OD1 2.84Å
526	P	36.9	Very low	42.3	Very low	39 Å²	39	53 Å²	53	25%	0.253	26%	0.258	S	S	.	.			trans	-112	153	168	36.4	-26.2	0	0	0	113.1	Q230	Q230-P526 HydrophobicContact CB-CB 4.13Å; Q230-P526 HydrophobicContact CB-CG 4.2Å; Q230-P526 HydrophobicContact CG-CB 4.03Å; Q230-P526 HydrophobicContact CG-CG 4.37Å; Q230-P526 VanDerWaalsContact OE1-CD 3.3Å
527	S	33.4	Very low	43.8	Very low	22 Å²	22	53.8 Å²	53.8	15%	0.154	26%	0.264	C	S	.	.			trans	-168.4	96.4	134	39.6	0	0	0	0	117.6	Y217 H369	Y217-S527 VanDerWaalsContact CD1-O 3.23Å; Y217-S527 WeakPolarHBondContact CD1-O 3.46Å; Y217-S527 WeakPolarHBondContact CD2-O 3.41Å; Y217-S527 WeakPolarHBondContact CE1-O 3.41Å; Y217-S527 WeakPolarHBondContact CE2-O 3.37Å; Y217-S527 VanDerWaalsContact CE2-OG 3.25Å; Y217-S527 WeakPolarHBondContact CE2-OG 3.46Å; Y217-S527 VanDerWaalsContact CZ-OG 3.27Å; Y217-S527 PolarHBondContact OH-OG 3Å; H369-S527 WeakPolarHBondContact CD2-CA 3.22Å; H369-S527 VanDerWaalsContact CG-C 3.48Å
528	C	37.5	Very low	46	Very low	3 Å²	3	62.9 Å²	62.9	2%	0.02	30%	0.298	C	S	.	.			trans	-156.7	170.1	168.7	-3.1	0	0	0	0	116.1	Y217 L221 H369 I545 I548	Y217-C528 HydrophobicContact CD1-CB 3.96Å; Y217-C528 WeakPolarHBondContact CD1-SG 3.15Å; Y217-C528 HydrophobicContact CG-CB 4.03Å; L221-C528 HydrophobicContact CD1-CB 3.7Å; H369-C528 PolarHBondContact CE1-O 2.97Å; H369-C528 PolarHBondContact ND1-N 3.2Å; H369-C528 PolarHBondContact ND1-O 3.48Å; C528-I545 HydrophobicContact CB-CD1 3.48Å; C528-I545 VanDerWaalsContact CB-CD1 3.48Å; C528-I545 HydrophobicContact CB-CG2 4.17Å; C528-I545 WeakPolarHBondContact O-CD1 3.01Å; C528-I548 HydrophobicContact CB-CD1 4.22Å
529	T	32	Very low	48.2	Very low	2 Å²	2	65.2 Å²	65.2	1%	0.012	31%	0.311	C	S	.	.			trans	-112.4	151.1	177.9	52.9	0	0	0	0	111.8	F366 I458	F366-T529 HydrophobicContact CD1-CG2 4.3Å; I458-T529 HydrophobicContact CD1-CG2 4.3Å; I458-T529 HydrophobicContact CG2-CG2 3.48Å; I458-T529 VanDerWaalsContact CG2-CG2 3.48Å
530	S	33.5	Very low	50.5	Low	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.322	C	S	.	.			trans	-155.4	173	-151.5	88.4	0	0	0	0	118.2	F366 G515 M516 T517	F366-S530 WeakPolarHBondContact CE1-O 3.3Å; F366-S530 VanDerWaalsContact CZ-N 3.32Å; F366-S530 WeakPolarHBondContact CZ-O 3.22Å; F366-S530 WeakPolarHBondContact CZ-OG 2.96Å; G515-S530 VanDerWaalsContact CA-CA 3.48Å; G515-S530 PolarHBondContact N-O 3.02Å; G515-S530 CarbonylContact O-C 3.41Å; G515-S530 VanDerWaalsContact O-O 3.05Å; M516-S530 WeakPolarHBondContact O-CB 3.27Å; T517-S530 WeakPolarHBondContact OG1-CB 3.12Å; T517-S530 PolarHBondContact OG1-OG 3.33Å
531	Y	42.1	Very low	52.9	Low	1 Å²	1	62.2 Å²	62.2	0%	0.004	31%	0.308	C	S	.	.			trans	-129.4	93.7	-176	-85	-117.4	0	0	0	96.9	F461 W474 I485 L486 E489 G515 M516 T517	F461-Y531 HydrophobicContact CB-CD1 3.04Å; F461-Y531 HydrophobicContact CB-CE1 3.79Å; F461-Y531 HydrophobicContact CB-CG 3.5Å; F461-Y531 AromaticContact CD1-CD1 3.96Å; F461-Y531 HydrophobicContact CD1-CD1 3.96Å; F461-Y531 AromaticContact CD1-CE1 3.8Å; F461-Y531 HydrophobicContact CD1-CE1 3.8Å; F461-Y531 AromaticContact CD2-CD1 3.25Å; F461-Y531 HydrophobicContact CD2-CD1 3.25Å; F461-Y531 AromaticContact CD2-CD2 3.93Å; F461-Y531 HydrophobicContact CD2-CD2 3.93Å; F461-Y531 AromaticContact CD2-CE1 3.24Å; F461-Y531 HydrophobicContact CD2-CE1 3.24Å; F461-Y531 AromaticContact CD2-CE2 3.91Å; F461-Y531 HydrophobicContact CD2-CE2 3.91Å; F461-Y531 AromaticContact CD2-CG 3.56Å; F461-Y531 HydrophobicContact CD2-CG 3.56Å; F461-Y531 AromaticContact CD2-CZ 3.57Å; F461-Y531 HydrophobicContact CE1-CE1 4.01Å; F461-Y531 HydrophobicContact CE2-CD1 4Å; F461-Y531 HydrophobicContact CE2-CD2 4.44Å; F461-Y531 AromaticContact CE2-CE1 3.47Å; F461-Y531 HydrophobicContact CE2-CE1 3.47Å; F461-Y531 VanDerWaalsContact CE2-CE1 3.47Å; F461-Y531 AromaticContact CE2-CE2 3.97Å; F461-Y531 HydrophobicContact CE2-CE2 3.97Å; F461-Y531 HydrophobicContact CE2-CG 4.43Å; F461-Y531 AromaticContact CE2-CZ 3.44Å; F461-Y531 VanDerWaalsContact CE2-CZ 3.44Å; F461-Y531 AromaticContact CG-CD1 3.2Å; F461-Y531 HydrophobicContact CG-CD1 3.2Å; F461-Y531 AromaticContact CG-CE1 3.38Å; F461-Y531 HydrophobicContact CG-CE1 3.38Å; F461-Y531 AromaticContact CG-CG 3.84Å; F461-Y531 HydrophobicContact CG-CG 3.84Å; F461-Y531 AromaticContact CZ-CE1 3.82Å; F461-Y531 HydrophobicContact CZ-CE1 3.82Å; F461-Y531 AromaticContact CZ-CZ 3.96Å; F461-Y531 CarbonylContact O-C 3.19Å; F461-Y531 WeakPolarHBondContact O-CA 3.44Å; W474-Y531 AromaticContact CH2-CD1 3.44Å; W474-Y531 HydrophobicContact CH2-CD1 3.44Å; W474-Y531 VanDerWaalsContact CH2-CD1 3.44Å; W474-Y531 HydrophobicContact CH2-CE1 4.42Å; W474-Y531 HydrophobicContact CH2-CG 4.05Å; W474-Y531 AromaticContact CZ2-CD1 3.72Å; W474-Y531 HydrophobicContact CZ2-CD1 3.72Å; W474-Y531 HydrophobicContact CZ2-CE1 4.29Å; W474-Y531 AromaticContact CZ3-CD1 3.92Å; W474-Y531 HydrophobicContact CZ3-CD1 3.92Å; W474-Y531 HydrophobicContact CZ3-CG 4.05Å; W474-Y531 WeakPolarHBondContact CZ3-O 3.48Å; I485-Y531 HydrophobicContact CG2-CE1 4.19Å; L486-Y531 WeakPolarHBondContact CA-OH 3.5Å; L486-Y531 WeakPolarHBondContact CD1-OH 3.33Å; E489-Y531 HydrophobicContact CB-CE1 4.27Å; E489-Y531 HydrophobicContact CG-CD1 4.4Å; E489-Y531 HydrophobicContact CG-CE1 3.88Å; G515-Y531 VanDerWaalsContact C-CD2 3.45Å; G515-Y531 WeakPolarHBondContact O-CA 2.95Å; G515-Y531 WeakPolarHBondContact O-CB 3.3Å; G515-Y531 WeakPolarHBondContact O-CD2 3.38Å; G515-Y531 PolarHBondContact O-N 3.27Å; M516-Y531 CarbonylContact C-O 3.43Å; M516-Y531 HydrophobicContact CB-CD2 4.17Å; M516-Y531 HydrophobicContact CE-CD1 4.46Å; M516-Y531 HydrophobicContact CE-CD2 3.62Å; M516-Y531 HydrophobicContact CE-CE1 4.24Å; M516-Y531 HydrophobicContact CE-CE2 3.38Å; M516-Y531 HydrophobicContact CE-CG 4.31Å; M516-Y531 HydrophobicContact CG-CD2 3.13Å; M516-Y531 HydrophobicContact CG-CE2 3.86Å; M516-Y531 HydrophobicContact CG-CG 3.69Å; M516-Y531 HydrophobicContact SD-CD2 4.25Å; T517-Y531 WeakPolarHBondContact CA-O 3.35Å; T517-Y531 WeakPolarHBondContact CB-O 2.94Å; T517-Y531 PolarHBondContact N-O 3.25Å; T517-Y531 PolarHBondContact OG1-N 3.46Å; T517-Y531 PolarHBondContact OG1-O 2.84Å
532	I	55.2	Low	54.9	Low	0 Å²	0	61 Å²	61	0%	0	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-65.8	146.2	-156.9	-55.5	91.5	0	0	0	113.9	L229 Q361 F366 A460 F461 N462 E463 T517 H543	L229-I532 HydrophobicContact CD2-CG1 4.19Å; L229-I532 HydrophobicContact CD2-CG2 4.21Å; Q361-I532 HydrophobicContact CB-CB 3.85Å; Q361-I532 HydrophobicContact CB-CD1 3.77Å; Q361-I532 HydrophobicContact CB-CG1 3.7Å; Q361-I532 HydrophobicContact CB-CG2 3.88Å; Q361-I532 HydrophobicContact CG-CB 3.85Å; Q361-I532 HydrophobicContact CG-CG1 4.21Å; Q361-I532 HydrophobicContact CG-CG2 3.39Å; F366-I532 HydrophobicContact CE2-CD1 3.53Å; F366-I532 HydrophobicContact CE2-CG1 3.96Å; F366-I532 HydrophobicContact CZ-CD1 3.47Å; F366-I532 VanDerWaalsContact CZ-CD1 3.47Å; F366-I532 HydrophobicContact CZ-CG1 4.07Å; A460-I532 HydrophobicContact CB-CD1 3.68Å; F461-I532 WeakPolarHBondContact O-CD1 3.48Å; F461-I532 PolarHBondContact O-N 3.46Å; N462-I532 CarbonylContact C-O 3.56Å; N462-I532 VanDerWaalsContact CA-O 3.24Å; N462-I532 WeakPolarHBondContact CA-O 3.36Å; E463-I532 PolarHBondContact N-O 3.37Å; T517-I532 HydrophobicContact CG2-CB 4.26Å; T517-I532 HydrophobicContact CG2-CG1 4.45Å; T517-I532 HydrophobicContact CG2-CG2 3.9Å; T517-I532 WeakPolarHBondContact OG1-CA 3.36Å; T517-I532 PolarHBondContact OG1-N 3.06Å; I532-H543 HydrophobicContact CG2-CB 3.6Å; I532-H543 WeakPolarHBondContact CG2-CD2 3.12Å
533	S	62.8	Low	57.1	Low	3 Å²	3	52 Å²	52	2%	0.021	26%	0.258	C	S	.	.			trans	-164	163.6	172	-169.1	0	0	0	0	112.6	E463 T517 I518 T519 H543	E463-S533 WeakPolarHBondContact CG-OG 3.29Å; E463-S533 WeakPolarHBondContact O-CA 3.38Å; E463-S533 VanDerWaalsContact OE2-CB 3.27Å; E463-S533 WeakPolarHBondContact OE2-CB 3.47Å; E463-S533 PolarHBondContact OE2-OG 3.12Å; T517-S533 WeakPolarHBondContact O-CB 3.41Å; I518-S533 CarbonylContact C-O 3.38Å; I518-S533 VanDerWaalsContact CA-O 3.26Å; I518-S533 WeakPolarHBondContact CA-O 3.35Å; I518-S533 PolarHBondContact N-O 2.91Å; T519-S533 PolarHBondContact OG1-O 2.6Å; S533-H543 PolarHBondContact O-CD2 2.96Å
534	R	75.8	Confident	59.1	Low	1 Å²	1	45.1 Å²	45.1	0%	0.004	22%	0.223	C	C	.	.			trans	-95.9	149.6	-165.4	-53.5	171	176.2	172	-3.1	112.1	I348 N349 E357 R475 I518 T519 H536 P537 D539	I348-R534 PolarHBondContact O-NH2 2.87Å; N349-R534 PolarHBondContact OD1-NH1 3.34Å; E357-R534 IonicContact OE1-CZ 3.71Å; E357-R534 IonicContact OE1-NE 3.88Å; E357-R534 PolarHBondContact OE1-NE 3.27Å; E357-R534 VanDerWaalsContact OE1-NE 3.12Å; E357-R534 IonicContact OE1-NH2 2.79Å; E357-R534 IonicContact OE2-CZ 2.57Å; E357-R534 IonicContact OE2-NE 3.88Å; E357-R534 PolarHBondContact OE2-NE 2.85Å; E357-R534 IonicContact OE2-NH2 3.27Å; E357-R534 PolarHBondContact OE2-NH2 2.78Å; R475-R534 PolarHBondContact NH2-O 2.95Å; I518-R534 CarbonylContact O-C 3.36Å; T519-R534 VanDerWaalsContact OG1-C 3.28Å; T519-R534 WeakPolarHBondContact OG1-CA 3.42Å; R534-H536 VanDerWaalsContact CB-O 3.24Å; R534-H536 WeakPolarHBondContact CB-O 3.29Å; R534-H536 PolarHBondContact O-N 3.45Å; R534-P537 PolarHBondContact NH1-O 3.14Å; R534-D539 WeakPolarHBondContact CB-O 3.24Å; R534-D539 VanDerWaalsContact CD-O 3.29Å; R534-D539 WeakPolarHBondContact CD-O 3.44Å; R534-D539 VanDerWaalsContact CG-O 3.23Å; R534-D539 WeakPolarHBondContact CG-O 3.38Å
535	I	74	Confident	61.2	Low	71 Å²	71	36.8 Å²	36.8	36%	0.364	19%	0.186	S	C	.	.	S	Bend	trans	-53.5	-56.8	166.9	-90.8	135.3	0	0	0	105.7	R475 I518 T519	R475-I535 PolarHBondContact NH2-O 2.97Å; R475-I535 VanDerWaalsContact NH2-O 3.09Å; I518-I535 WeakPolarHBondContact O-CA 3.11Å; I518-I535 PolarHBondContact O-N 3.33Å; T519-I535 VanDerWaalsContact C-CG1 3.49Å; T519-I535 VanDerWaalsContact CB-N 3.32Å; T519-I535 HydrophobicContact CG2-CD1 3.6Å; T519-I535 HydrophobicContact CG2-CG1 4.1Å; T519-I535 VanDerWaalsContact O-CG1 3.22Å; T519-I535 WeakPolarHBondContact O-CG1 3.48Å; T519-I535 PolarHBondContact OG1-N 2.98Å
536	H	81.3	Confident	63.4	Low	97 Å²	97	31.9 Å²	31.9	45%	0.449	16%	0.16	S	C	.	.	S	Bend	trans	-115.2	123.7	-169.6	-157.2	-115.6	0	0	0	105.5	R534 R538 D539	R534-H536 VanDerWaalsContact CB-O 3.24Å; R534-H536 WeakPolarHBondContact CB-O 3.29Å; R534-H536 PolarHBondContact O-N 3.45Å; H536-R538 PolarHBondContact O-N 3.35Å; H536-D539 HydrophobicContact CB-CB 4.25Å; H536-D539 PolarHBondContact O-N 3.41Å
537	P	78	Confident	65.2	Low	21 Å²	21	30.1 Å²	30.1	14%	0.136	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-12	176.9	-29.4	36.9	0	0	0	114.4	W464 D465 R534	W464-P537 WeakPolarHBondContact O-CA 3.46Å; W464-P537 WeakPolarHBondContact O-CB 3.4Å; D465-P537 HydrophobicContact CB-CB 3.74Å; D465-P537 VanDerWaalsContact CG-CB 3.47Å; D465-P537 WeakPolarHBondContact OD2-CB 3.34Å; R534-P537 PolarHBondContact NH1-O 3.14Å
538	R	82.7	Confident	67.3	Low	190 Å²	190	29.8 Å²	29.8	72%	0.717	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	9.9	173.2	-46.9	-176.8	-179.8	160.1	-2.6	116.3	I348 H536	I348-R538 VanDerWaalsContact CD1-C 3.47Å; I348-R538 VanDerWaalsContact CD1-CA 3.5Å; I348-R538 HydrophobicContact CD1-CB 4.27Å; I348-R538 WeakPolarHBondContact CD1-O 3.3Å; H536-R538 PolarHBondContact O-N 3.35Å
539	D	80.1	Confident	69.4	Low	50 Å²	50	32 Å²	32	27%	0.267	16%	0.155	S	C	.	.			trans	-130.5	109.6	177.6	178	9.8	0	0	0	110.3	R534 H536 S541	R534-D539 WeakPolarHBondContact CB-O 3.24Å; R534-D539 VanDerWaalsContact CD-O 3.29Å; R534-D539 WeakPolarHBondContact CD-O 3.44Å; R534-D539 VanDerWaalsContact CG-O 3.23Å; R534-D539 WeakPolarHBondContact CG-O 3.38Å; H536-D539 HydrophobicContact CB-CB 4.25Å; H536-D539 PolarHBondContact O-N 3.41Å; D539-S541 VanDerWaalsContact OD1-CB 3.29Å; D539-S541 WeakPolarHBondContact OD1-CB 3.43Å; D539-S541 PolarHBondContact OD1-N 2.92Å; D539-S541 PolarHBondContact OD1-OG 3.32Å
540	S	79.3	Confident	72	Confident	38 Å²	38	34.9 Å²	34.9	27%	0.266	17%	0.169	S	C	.	.			trans	-89.7	-1.9	179.3	51.6	0	0	0	0	114.1	E357 K542 H543	E357-S540 VanDerWaalsContact CD-CB 3.47Å; E357-S540 WeakPolarHBondContact OE1-CA 3.12Å; E357-S540 WeakPolarHBondContact OE1-CB 3.19Å; S540-K542 PolarHBondContact O-N 3.39Å; S540-H543 PolarHBondContact O-CE1 3.47Å; S540-H543 VanDerWaalsContact O-CE1 3.24Å
541	S	77.5	Confident	74.7	Confident	46 Å²	46	35.8 Å²	35.8	32%	0.322	17%	0.173	S	C	.	.	S	Bend	trans	-79.6	0.1	-169	70.5	0	0	0	0	115.3	R231 D539	R231-S541 PolarHBondContact NH2-O 3.15Å; D539-S541 VanDerWaalsContact OD1-CB 3.29Å; D539-S541 WeakPolarHBondContact OD1-CB 3.43Å; D539-S541 PolarHBondContact OD1-N 2.92Å; D539-S541 PolarHBondContact OD1-OG 3.32Å
542	K	73.2	Confident	77.1	Confident	78 Å²	78	40.2 Å²	40.2	34%	0.339	19%	0.192	S	C	.	.			trans	-164.5	128.8	-141.9	-108.2	-171	-163.1	-167	0	111.9	T519 N521 S540	T519-K542 HydrophobicContact CG2-CB 3.78Å; T519-K542 HydrophobicContact CG2-CG 4.23Å; T519-K542 VanDerWaalsContact OG1-C 3.29Å; T519-K542 PolarHBondContact OG1-O 3.1Å; N521-K542 PolarHBondContact OD1-NZ 3.23Å; S540-K542 PolarHBondContact O-N 3.39Å
543	H	72.8	Confident	78.9	Confident	6 Å²	6	40.4 Å²	40.4	3%	0.028	19%	0.193	C	C	.	.			trans	-146.3	155.4	-174	-51	106.5	0	0	0	114.1	L229 E357 W360 Q361 T517 T519 I532 S533 S540	L229-H543 HydrophobicContact CB-CB 3.79Å; L229-H543 WeakPolarHBondContact CB-O 3.33Å; L229-H543 HydrophobicContact CD2-CB 3.47Å; L229-H543 VanDerWaalsContact CD2-CB 3.47Å; L229-H543 HydrophobicContact CG-CB 4.26Å; L229-H543 PolarHBondContact N-O 3.46Å; E357-H543 IonicContact OE1-CD2 3.27Å; E357-H543 IonicContact OE1-CE1 2.79Å; E357-H543 PolarHBondContact OE1-CE1 2.6Å; E357-H543 IonicContact OE1-NE2 3.28Å; E357-H543 PolarHBondContact OE1-NE2 3.08Å; W360-H543 AromaticContact CE3-CE1 3.9Å; W360-H543 AromaticContact CZ3-CE1 3.55Å; W360-H543 AromaticContact CZ3-ND1 3.49Å; W360-H543 WeakPolarHBondContact CZ3-ND1 3.27Å; Q361-H543 PolarHBondContact NE2-NE2 2.7Å; Q361-H543 VanDerWaalsContact NE2-NE2 3.11Å; T517-H543 HydrophobicContact CG2-CB 3.99Å; T519-H543 WeakPolarHBondContact OG1-CA 3.29Å; T519-H543 PolarHBondContact OG1-N 3.33Å; I532-H543 HydrophobicContact CG2-CB 3.6Å; I532-H543 WeakPolarHBondContact CG2-CD2 3.12Å; S533-H543 PolarHBondContact O-CD2 2.96Å; S540-H543 PolarHBondContact O-CE1 3.47Å; S540-H543 VanDerWaalsContact O-CE1 3.24Å
544	V	73.2	Confident	80.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	139.8	170.4	-68.8	0	0	0	0	111.3	E226 I227 P228 T517 I518 T519 F520	E226-V544 HydrophobicContact CB-CG2 3.54Å; E226-V544 HydrophobicContact CG-CG2 3.61Å; E226-V544 WeakPolarHBondContact OE1-CG2 3.27Å; I227-V544 CarbonylContact O-C 3.37Å; I227-V544 WeakPolarHBondContact O-CA 3.45Å; I227-V544 WeakPolarHBondContact O-CB 3.48Å; P228-V544 HydrophobicContact CB-CG1 3.72Å; T517-V544 CarbonylContact C-O 3.53Å; T517-V544 WeakPolarHBondContact CA-O 3.07Å; T517-V544 WeakPolarHBondContact CB-O 3.02Å; T517-V544 WeakPolarHBondContact CG2-O 3.11Å; I518-V544 HydrophobicContact CG2-CG2 4.4Å; I518-V544 PolarHBondContact N-O 3.09Å; T519-V544 VanDerWaalsContact CA-CB 3.5Å; T519-V544 VanDerWaalsContact CA-CG2 3.43Å; F520-V544 HydrophobicContact CB-CG1 3.69Å
545	I	73.9	Confident	81.1	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	134.3	-178.4	-51.4	-174.7	0	0	0	112.5	L221 E226 I227 L229 M516 C528	L221-I545 HydrophobicContact CD1-CG2 3.46Å; L221-I545 VanDerWaalsContact CD1-CG2 3.46Å; L221-I545 HydrophobicContact CD2-CB 4.07Å; L221-I545 HydrophobicContact CD2-CG2 3.73Å; L221-I545 WeakPolarHBondContact CD2-O 3.29Å; L221-I545 HydrophobicContact CG-CG2 4.21Å; E226-I545 CarbonylContact C-O 3.52Å; E226-I545 WeakPolarHBondContact CA-O 3.04Å; E226-I545 VanDerWaalsContact CB-O 3.29Å; E226-I545 WeakPolarHBondContact CB-O 3.38Å; I227-I545 HydrophobicContact CB-CB 4.42Å; I227-I545 PolarHBondContact N-O 3.2Å; I227-I545 PolarHBondContact O-N 2.76Å; L229-I545 HydrophobicContact CD1-CD1 3.84Å; L229-I545 HydrophobicContact CD1-CG1 3.71Å; M516-I545 CarbonylContact O-C 3.55Å; M516-I545 VanDerWaalsContact O-CA 3.31Å; M516-I545 WeakPolarHBondContact O-CA 3.35Å; M516-I545 VanDerWaalsContact O-CG2 3.28Å; M516-I545 WeakPolarHBondContact O-CG2 3.31Å; C528-I545 HydrophobicContact CB-CD1 3.48Å; C528-I545 VanDerWaalsContact CB-CD1 3.48Å; C528-I545 HydrophobicContact CB-CG2 4.17Å; C528-I545 WeakPolarHBondContact O-CD1 3.01Å
546	L	76.1	Confident	82	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-25.4	174.8	-69	174.8	0	0	0	115.2	L221 S222 E226 W474 I478 M516 T517 I518	L221-L546 CarbonylContact C-O 3.44Å; S222-L546 CarbonylContact C-O 3.33Å; S222-L546 VanDerWaalsContact CA-O 3.26Å; S222-L546 WeakPolarHBondContact CA-O 3.18Å; S222-L546 PolarHBondContact N-O 3.09Å; E226-L546 HydrophobicContact CB-CD2 4.09Å; W474-L546 HydrophobicContact CB-CD1 4.31Å; I478-L546 HydrophobicContact CD1-CB 3.6Å; I478-L546 HydrophobicContact CD1-CD1 4.43Å; I478-L546 WeakPolarHBondContact CD1-O 3.46Å; M516-L546 VanDerWaalsContact C-N 3.28Å; M516-L546 HydrophobicContact CB-CB 3.74Å; M516-L546 HydrophobicContact CB-CD1 4.28Å; M516-L546 PolarHBondContact O-N 3.28Å; T517-L546 VanDerWaalsContact O-CD1 3.3Å; T517-L546 WeakPolarHBondContact O-CD1 3.2Å; I518-L546 HydrophobicContact CB-CD1 3.92Å; I518-L546 HydrophobicContact CB-CD2 4.07Å; I518-L546 HydrophobicContact CB-CG 3.96Å; I518-L546 HydrophobicContact CD1-CD1 3.92Å; I518-L546 HydrophobicContact CG1-CD1 4.37Å; I518-L546 HydrophobicContact CG2-CD1 4.43Å; I518-L546 HydrophobicContact CG2-CD2 3.71Å; I518-L546 HydrophobicContact CG2-CG 4.18Å
547	G	74.2	Confident	82.5	Confident	2 Å²	2	40.4 Å²	40.4	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	171	-167.9	0	0	0	0	0	114.6	G515 M516	G515-G547 CarbonylContact C-O 3.32Å; G515-G547 VanDerWaalsContact C-O 3.26Å; G515-G547 WeakPolarHBondContact CA-O 3.28Å; M516-G547 PolarHBondContact N-O 2.78Å; M516-G547 PolarHBondContact O-N 3.2Å
548	I	78.4	Confident	83.2	Confident	15 Å²	15	46.8 Å²	46.8	8%	0.077	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.2	169.6	-45.3	-170.4	0	0	0	109.7	Y213 D218 L221 K513 F514 C528	Y213-I548 WeakPolarHBondContact OH-CD1 3.42Å; D218-I548 WeakPolarHBondContact OD1-CG2 3.39Å; L221-I548 HydrophobicContact CD1-CD1 3.77Å; L221-I548 HydrophobicContact CD1-CG1 3.59Å; K513-I548 HydrophobicContact CD-CG2 4.41Å; F514-I548 VanDerWaalsContact O-CG2 3.22Å; F514-I548 WeakPolarHBondContact O-CG2 3.47Å; C528-I548 HydrophobicContact CB-CD1 4.22Å
549	Q	82.3	Confident	83.6	Confident	48 Å²	48	42.8 Å²	42.8	22%	0.224	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	121.2	171.7	-168	165	-1.2	0	0	111.1	F514 F551	F514-Q549 PolarHBondContact N-O 3.11Å; F514-Q549 CarbonylContact O-C 3.5Å; F514-Q549 PolarHBondContact O-N 3.15Å; Q549-F551 HydrophobicContact CB-CE2 4.41Å; Q549-F551 HydrophobicContact CG-CD2 4.37Å; Q549-F551 HydrophobicContact CG-CE2 3.65Å; Q549-F551 HydrophobicContact CG-CZ 3.84Å
550	Q	86.3	Confident	84.2	Confident	63 Å²	63	40.7 Å²	40.7	29%	0.294	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.2	179.1	178.4	171.2	-24.8	0	0	110	Y511 K513	Y511-Q550 HydrophobicContact CD1-CG 3.72Å; Y511-Q550 HydrophobicContact CE1-CG 4.49Å; Y511-Q550 HydrophobicContact CG-CG 4.12Å; Y511-Q550 VanDerWaalsContact CG-NE2 3.27Å; K513-Q550 HydrophobicContact CG-CB 3.93Å; K513-Q550 HydrophobicContact CG-CG 4.06Å
551	F	90.2	Very high	84.8	Confident	20 Å²	20	45.5 Å²	45.5	9%	0.088	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150	169.4	-63.7	-87.5	0	0	0	110	L486 Y511 L512 F514 Q549 F556	L486-F551 HydrophobicContact CD2-CE1 4.25Å; L486-F551 HydrophobicContact CD2-CE2 4.21Å; L486-F551 HydrophobicContact CD2-CZ 3.5Å; Y511-F551 CarbonylContact C-O 3.59Å; Y511-F551 VanDerWaalsContact CA-O 3.28Å; Y511-F551 WeakPolarHBondContact CA-O 2.88Å; Y511-F551 WeakPolarHBondContact CD1-O 3.43Å; L512-F551 PolarHBondContact N-O 3.08Å; L512-F551 PolarHBondContact O-N 3.28Å; F514-F551 AromaticContact CD2-CD2 3.85Å; F514-F551 HydrophobicContact CD2-CD2 3.85Å; F514-F551 AromaticContact CD2-CE2 3.92Å; F514-F551 HydrophobicContact CD2-CE2 3.92Å; F514-F551 AromaticContact CE2-CD2 3.77Å; F514-F551 HydrophobicContact CE2-CD2 3.77Å; F514-F551 HydrophobicContact CE2-CE2 4.04Å; Q549-F551 HydrophobicContact CB-CE2 4.41Å; Q549-F551 HydrophobicContact CG-CD2 4.37Å; Q549-F551 HydrophobicContact CG-CE2 3.65Å; Q549-F551 HydrophobicContact CG-CZ 3.84Å; F551-F556 HydrophobicContact CB-CB 3.89Å; F551-F556 HydrophobicContact CB-CD2 3.96Å; F551-F556 HydrophobicContact CB-CG 4.19Å; F551-F556 AromaticContact CD1-CD2 3.8Å; F551-F556 HydrophobicContact CD1-CD2 3.8Å; F551-F556 HydrophobicContact CD1-CE2 4.5Å; F551-F556 AromaticContact CD2-CD2 3.7Å; F551-F556 HydrophobicContact CD2-CD2 3.7Å; F551-F556 AromaticContact CD2-CE2 3.95Å; F551-F556 HydrophobicContact CD2-CE2 3.95Å; F551-F556 HydrophobicContact CE1-CD2 4.15Å; F551-F556 HydrophobicContact CE1-CE2 4.46Å; F551-F556 HydrophobicContact CE2-CD2 4.06Å; F551-F556 AromaticContact CE2-CE2 3.91Å; F551-F556 HydrophobicContact CE2-CE2 3.91Å; F551-F556 HydrophobicContact CG-CB 4.4Å; F551-F556 AromaticContact CG-CD2 3.55Å; F551-F556 HydrophobicContact CG-CD2 3.55Å; F551-F556 HydrophobicContact CG-CE2 4.24Å; F551-F556 HydrophobicContact CG-CG 4.27Å; F551-F556 HydrophobicContact CZ-CD2 4.27Å; F551-F556 HydrophobicContact CZ-CE2 4.17Å
552	K	92.9	Very high	85.5	Confident	93 Å²	93	44.3 Å²	44.3	40%	0.404	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.7	164.4	-160	-175.9	-168.1	174.2	0	108.2	Q510 Y511 T554 E555 F556	Q510-K552 WeakPolarHBondContact O-CG 3.5Å; Y511-K552 HydrophobicContact CD1-CB 4.29Å; Y511-K552 HydrophobicContact CE1-CB 4.21Å; Y511-K552 HydrophobicContact CE1-CG 4.34Å; K552-T554 VanDerWaalsContact C-N 3.32Å; K552-T554 PolarHBondContact O-N 2.79Å; K552-E555 HydrophobicContact CB-CB 4.24Å; K552-E555 HydrophobicContact CB-CG 4.1Å; K552-E555 HydrophobicContact CD-CG 4.25Å; K552-E555 WeakPolarHBondContact CD-OE1 3.42Å; K552-E555 IonicContact NZ-OE1 2.78Å; K552-E555 PolarHBondContact O-N 2.79Å; K552-E555 VanDerWaalsContact O-N 3.11Å; K552-F556 PolarHBondContact O-N 3.33Å
553	T	91.5	Very high	86.4	Confident	4 Å²	4	43.5 Å²	43.5	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-39.6	-165.3	-45.9	0	0	0	0	113	A504 M505 S509 Q510 F556 A557	A504-T553 HydrophobicContact CB-CG2 3.47Å; A504-T553 VanDerWaalsContact CB-CG2 3.47Å; M505-T553 HydrophobicContact CG-CG2 3.52Å; S509-T553 WeakPolarHBondContact O-CB 2.8Å; S509-T553 PolarHBondContact O-OG1 3.17Å; Q510-T553 PolarHBondContact O-N 2.94Å; Q510-T553 PolarHBondContact O-OG1 2.79Å; T553-F556 PolarHBondContact O-N 3.17Å; T553-A557 PolarHBondContact O-N 3.18Å; T553-A557 VanDerWaalsContact O-N 3.08Å
554	T	92.1	Very high	87.3	Confident	73 Å²	73	44.7 Å²	44.7	45%	0.448	22%	0.224	S	C	.	.	H	α-helix	trans	-67.4	-38.6	176.9	50.2	0	0	0	0	113.4	M505 K552 F556 M558	M505-T554 HydrophobicContact CE-CG2 4.38Å; K552-T554 VanDerWaalsContact C-N 3.32Å; K552-T554 PolarHBondContact O-N 2.79Å; T554-F556 VanDerWaalsContact C-N 3.35Å; T554-M558 PolarHBondContact O-N 3.27Å
555	E	93.6	Very high	88.3	Confident	95 Å²	95	47.2 Å²	47.2	44%	0.444	24%	0.237	S	C	.	.	H	α-helix	trans	-68.5	-37.5	176.8	-66.7	165.4	-160.6	0	0	110.7	K552 M558 Q559	K552-E555 HydrophobicContact CB-CB 4.24Å; K552-E555 HydrophobicContact CB-CG 4.1Å; K552-E555 HydrophobicContact CD-CG 4.25Å; K552-E555 WeakPolarHBondContact CD-OE1 3.42Å; K552-E555 IonicContact NZ-OE1 2.78Å; K552-E555 PolarHBondContact O-N 2.79Å; K552-E555 VanDerWaalsContact O-N 3.11Å; E555-M558 PolarHBondContact O-N 3.25Å; E555-Q559 WeakPolarHBondContact O-CG 3.47Å; E555-Q559 PolarHBondContact O-N 2.79Å; E555-Q559 VanDerWaalsContact O-N 3.08Å
556	F	91.9	Very high	89.2	Confident	1 Å²	1	48 Å²	48	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-66.6	-42	176.5	-165.2	-107.6	0	0	0	112.5	L486 L497 T501 L512 F514 F551 K552 T553 T554 M558 Q559 I560	L486-F556 HydrophobicContact CD1-CE2 4.2Å; L486-F556 HydrophobicContact CD1-CZ 4.32Å; L486-F556 HydrophobicContact CD2-CE2 4.27Å; L497-F556 HydrophobicContact CD2-CE1 3.71Å; L497-F556 HydrophobicContact CD2-CZ 3.67Å; T501-F556 HydrophobicContact CG2-CD1 4.02Å; T501-F556 WeakPolarHBondContact OG1-CD1 3.14Å; T501-F556 WeakPolarHBondContact OG1-CE1 3.34Å; L512-F556 HydrophobicContact CD2-CD1 3.89Å; L512-F556 HydrophobicContact CD2-CE1 4.28Å; F514-F556 HydrophobicContact CE2-CD1 4.43Å; F514-F556 HydrophobicContact CE2-CD2 4.31Å; F514-F556 AromaticContact CE2-CE1 3.91Å; F514-F556 HydrophobicContact CE2-CE1 3.91Å; F514-F556 AromaticContact CE2-CE2 3.78Å; F514-F556 HydrophobicContact CE2-CE2 3.78Å; F514-F556 AromaticContact CE2-CZ 3.56Å; F514-F556 HydrophobicContact CE2-CZ 3.56Å; F514-F556 HydrophobicContact CZ-CD1 4.29Å; F514-F556 AromaticContact CZ-CE1 3.65Å; F514-F556 HydrophobicContact CZ-CE1 3.65Å; F514-F556 HydrophobicContact CZ-CE2 4.37Å; F514-F556 AromaticContact CZ-CZ 3.7Å; F514-F556 HydrophobicContact CZ-CZ 3.7Å; F551-F556 HydrophobicContact CB-CB 3.89Å; F551-F556 HydrophobicContact CB-CD2 3.96Å; F551-F556 HydrophobicContact CB-CG 4.19Å; F551-F556 AromaticContact CD1-CD2 3.8Å; F551-F556 HydrophobicContact CD1-CD2 3.8Å; F551-F556 HydrophobicContact CD1-CE2 4.5Å; F551-F556 AromaticContact CD2-CD2 3.7Å; F551-F556 HydrophobicContact CD2-CD2 3.7Å; F551-F556 AromaticContact CD2-CE2 3.95Å; F551-F556 HydrophobicContact CD2-CE2 3.95Å; F551-F556 HydrophobicContact CE1-CD2 4.15Å; F551-F556 HydrophobicContact CE1-CE2 4.46Å; F551-F556 HydrophobicContact CE2-CD2 4.06Å; F551-F556 AromaticContact CE2-CE2 3.91Å; F551-F556 HydrophobicContact CE2-CE2 3.91Å; F551-F556 HydrophobicContact CG-CB 4.4Å; F551-F556 AromaticContact CG-CD2 3.55Å; F551-F556 HydrophobicContact CG-CD2 3.55Å; F551-F556 HydrophobicContact CG-CE2 4.24Å; F551-F556 HydrophobicContact CG-CG 4.27Å; F551-F556 HydrophobicContact CZ-CD2 4.27Å; F551-F556 HydrophobicContact CZ-CE2 4.17Å; K552-F556 PolarHBondContact O-N 3.33Å; T553-F556 PolarHBondContact O-N 3.17Å; T554-F556 VanDerWaalsContact C-N 3.35Å; F556-M558 VanDerWaalsContact C-N 3.28Å; F556-M558 PolarHBondContact O-N 3.5Å; F556-Q559 WeakPolarHBondContact O-CB 2.7Å; F556-Q559 PolarHBondContact O-N 2.69Å; F556-I560 HydrophobicContact CD1-CG2 4.09Å; F556-I560 HydrophobicContact CE1-CD1 4.49Å; F556-I560 HydrophobicContact CE1-CG2 3.57Å; F556-I560 HydrophobicContact CE2-CG2 4.11Å; F556-I560 HydrophobicContact CZ-CG2 3.58Å; F556-I560 WeakPolarHBondContact O-CG1 3.34Å; F556-I560 PolarHBondContact O-N 3.05Å
557	A	92.9	Very high	90	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-55.1	-42.9	174.3	0	0	0	0	0	112.2	T501 M505 T553 I560 N561 L562	T501-A557 HydrophobicContact CG2-CB 3.85Å; M505-A557 HydrophobicContact CE-CB 4.49Å; M505-A557 HydrophobicContact SD-CB 3.65Å; T553-A557 PolarHBondContact O-N 3.18Å; T553-A557 VanDerWaalsContact O-N 3.08Å; A557-I560 WeakPolarHBondContact O-CG1 3.42Å; A557-I560 PolarHBondContact O-N 3.35Å; A557-N561 PolarHBondContact O-N 2.84Å; A557-L562 HydrophobicContact CB-CB 4.44Å; A557-L562 HydrophobicContact CB-CD2 4.25Å; A557-L562 PolarHBondContact O-N 3.49Å
558	M	92.5	Very high	90.9	Very high	155 Å²	155	48.7 Å²	48.7	76%	0.764	25%	0.245	S	C	*	.	H	α-helix	trans	-64.1	-44.1	174	-64.8	179.9	-177.5	0	0	112.1	T554 E555 F556 I560 N561	T554-M558 PolarHBondContact O-N 3.27Å; E555-M558 PolarHBondContact O-N 3.25Å; F556-M558 VanDerWaalsContact C-N 3.28Å; F556-M558 PolarHBondContact O-N 3.5Å; M558-I560 VanDerWaalsContact C-N 3.33Å; M558-I560 PolarHBondContact O-N 3.3Å; M558-N561 PolarHBondContact O-N 2.83Å; M558-N561 VanDerWaalsContact O-N 3.14Å
559	Q	91.1	Very high	91.6	Very high	106 Å²	106	48.4 Å²	48.4	50%	0.495	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-36.6	178.3	-71.6	175.9	22.1	0	0	113.1	E555 F556 N561	E555-Q559 WeakPolarHBondContact O-CG 3.47Å; E555-Q559 PolarHBondContact O-N 2.79Å; E555-Q559 VanDerWaalsContact O-N 3.08Å; F556-Q559 WeakPolarHBondContact O-CB 2.7Å; F556-Q559 PolarHBondContact O-N 2.69Å; Q559-N561 VanDerWaalsContact C-N 3.28Å; Q559-N561 PolarHBondContact O-N 3.42Å
560	I	91.8	Very high	92.1	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.031	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	8.5	177.9	70.4	160.1	0	0	0	114	R284 L490 A498 T501 F556 A557 M558 L562	R284-I560 PolarHBondContact NH1-O 3.38Å; R284-I560 PolarHBondContact NH2-O 3.49Å; L490-I560 HydrophobicContact CD1-CB 3.73Å; L490-I560 HydrophobicContact CD1-CG2 3.74Å; L490-I560 HydrophobicContact CD2-CB 4.46Å; L490-I560 HydrophobicContact CD2-CG2 4.29Å; A498-I560 HydrophobicContact CB-CD1 4.24Å; T501-I560 HydrophobicContact CG2-CD1 4.12Å; T501-I560 WeakPolarHBondContact OG1-CD1 3.38Å; F556-I560 HydrophobicContact CD1-CG2 4.09Å; F556-I560 HydrophobicContact CE1-CD1 4.49Å; F556-I560 HydrophobicContact CE1-CG2 3.57Å; F556-I560 HydrophobicContact CE2-CG2 4.11Å; F556-I560 HydrophobicContact CZ-CG2 3.58Å; F556-I560 WeakPolarHBondContact O-CG1 3.34Å; F556-I560 PolarHBondContact O-N 3.05Å; A557-I560 WeakPolarHBondContact O-CG1 3.42Å; A557-I560 PolarHBondContact O-N 3.35Å; M558-I560 VanDerWaalsContact C-N 3.33Å; M558-I560 PolarHBondContact O-N 3.3Å; I560-L562 VanDerWaalsContact C-N 3.33Å; I560-L562 HydrophobicContact CD1-CB 3.92Å; I560-L562 HydrophobicContact CD1-CD2 4.19Å; I560-L562 HydrophobicContact CG1-CB 3.78Å; I560-L562 PolarHBondContact O-N 3.27Å
561	N	92.1	Very high	92.3	Very high	139 Å²	139	43.1 Å²	43.1	74%	0.743	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	46	-175.3	-168.8	27.3	0	0	0	113.1	R284 A557 M558 Q559	R284-N561 PolarHBondContact NH2-O 2.68Å; A557-N561 PolarHBondContact O-N 2.84Å; M558-N561 PolarHBondContact O-N 2.83Å; M558-N561 VanDerWaalsContact O-N 3.14Å; Q559-N561 VanDerWaalsContact C-N 3.28Å; Q559-N561 PolarHBondContact O-N 3.42Å
562	L	91.7	Very high	92.4	Very high	20 Å²	20	42.8 Å²	42.8	11%	0.105	22%	0.218	C	C	.	.			trans	-99.4	115.9	174.5	173.3	68.3	0	0	0	109.1	T501 I502 A557 I560 M564	T501-L562 HydrophobicContact CG2-CD2 3.84Å; I502-L562 HydrophobicContact CD1-CD1 4.02Å; I502-L562 HydrophobicContact CD1-CD2 4.36Å; I502-L562 HydrophobicContact CG1-CD1 4.22Å; I502-L562 HydrophobicContact CG1-CD2 3.64Å; I502-L562 HydrophobicContact CG1-CG 4.5Å; A557-L562 HydrophobicContact CB-CB 4.44Å; A557-L562 HydrophobicContact CB-CD2 4.25Å; A557-L562 PolarHBondContact O-N 3.49Å; I560-L562 VanDerWaalsContact C-N 3.33Å; I560-L562 HydrophobicContact CD1-CB 3.92Å; I560-L562 HydrophobicContact CD1-CD2 4.19Å; I560-L562 HydrophobicContact CG1-CB 3.78Å; I560-L562 PolarHBondContact O-N 3.27Å; L562-M564 HydrophobicContact CD2-SD 4.46Å
563	N	92.4	Very high	92.3	Very high	61 Å²	61	40.3 Å²	40.3	33%	0.326	21%	0.212	S	C	.	.			trans	-99.1	122.1	172	-174.4	21.6	0	0	0	111	D565 T566 A567	N563-D565 PolarHBondContact ND2-OD2 3.12Å; N563-D565 PolarHBondContact O-N 3.48Å; N563-D565 PolarHBondContact OD1-N 2.68Å; N563-D565 PolarHBondContact OD1-OD2 2.92Å; N563-T566 PolarHBondContact O-N 2.89Å; N563-A567 PolarHBondContact O-N 2.9Å; N563-A567 VanDerWaalsContact O-N 3.11Å
564	M	91.6	Very high	92.3	Very high	32 Å²	32	40.1 Å²	40.1	16%	0.158	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-33.2	177.6	-67.8	-56.1	-67.6	0	0	112.8	I502 M505 L562 T566 A567 W568	I502-M564 HydrophobicContact CG1-SD 4.37Å; M505-M564 HydrophobicContact CE-CG 3.51Å; M505-M564 HydrophobicContact CE-SD 3.98Å; M505-M564 HydrophobicContact SD-CG 3.99Å; M505-M564 HydrophobicContact SD-SD 3.7Å; L562-M564 HydrophobicContact CD2-SD 4.46Å; M564-T566 PolarHBondContact O-N 2.78Å; M564-A567 WeakPolarHBondContact O-CB 3.49Å; M564-A567 PolarHBondContact O-N 3.07Å; M564-A567 HydrophobicContact SD-CB 4.43Å; M564-W568 PolarHBondContact O-N 2.68Å
565	D	93.8	Very high	92.2	Very high	52 Å²	52	36.6 Å²	36.6	28%	0.278	19%	0.19	S	C	.	.	H	α-helix	trans	-58.1	-39.3	176.4	-40.4	-44.5	0	0	0	110.7	K192 L193 N563 G569	K192-D565 CarbonylContact C-O 3.34Å; K192-D565 VanDerWaalsContact CA-O 3.31Å; K192-D565 WeakPolarHBondContact CA-O 3.43Å; K192-D565 HydrophobicContact CB-CB 4.04Å; K192-D565 HydrophobicContact CD-CB 4.42Å; K192-D565 HydrophobicContact CG-CB 4.22Å; L193-D565 PolarHBondContact N-O 2.83Å; N563-D565 PolarHBondContact ND2-OD2 3.12Å; N563-D565 PolarHBondContact O-N 3.48Å; N563-D565 PolarHBondContact OD1-N 2.68Å; N563-D565 PolarHBondContact OD1-OD2 2.92Å; D565-G569 PolarHBondContact O-N 3.4Å
566	T	93.4	Very high	92.1	Very high	19 Å²	19	35.2 Å²	35.2	12%	0.117	19%	0.185	C	C	.	.	H	α-helix	trans	-75.2	-38.2	-179.9	-65.3	0	0	0	0	111.3	L191 N563 M564 G569 I570	L191-T566 WeakPolarHBondContact O-CA 3.29Å; L191-T566 WeakPolarHBondContact O-CB 3.49Å; L191-T566 PolarHBondContact O-OG1 3.32Å; N563-T566 PolarHBondContact O-N 2.89Å; M564-T566 PolarHBondContact O-N 2.78Å; T566-G569 PolarHBondContact O-N 2.75Å; T566-I570 HydrophobicContact CG2-CD1 3.97Å; T566-I570 HydrophobicContact CG2-CG1 4.37Å; T566-I570 WeakPolarHBondContact O-CB 3.39Å; T566-I570 VanDerWaalsContact O-CG1 3.22Å; T566-I570 WeakPolarHBondContact O-CG1 3.5Å; T566-I570 PolarHBondContact O-N 3.33Å
567	A	92.4	Very high	92	Very high	3 Å²	3	38.5 Å²	38.5	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-56.7	-49.3	171.4	0	0	0	0	0	111.9	M280 I502 N563 M564 I570 L571	M280-A567 HydrophobicContact CB-CB 3.94Å; M280-A567 HydrophobicContact CG-CB 4.09Å; M280-A567 HydrophobicContact SD-CB 3.85Å; I502-A567 HydrophobicContact CD1-CB 4.12Å; N563-A567 PolarHBondContact O-N 2.9Å; N563-A567 VanDerWaalsContact O-N 3.11Å; M564-A567 WeakPolarHBondContact O-CB 3.49Å; M564-A567 PolarHBondContact O-N 3.07Å; M564-A567 HydrophobicContact SD-CB 4.43Å; A567-I570 PolarHBondContact O-N 3.43Å; A567-L571 PolarHBondContact O-N 3.48Å; A567-L571 VanDerWaalsContact O-N 3.08Å
568	W	93	Very high	91.9	Very high	14 Å²	14	38.4 Å²	38.4	5%	0.053	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-41.6	175.4	-69.7	123.2	0	0	0	112.9	L193 V196 M280 W427 L429 M435 L506 M564 I570 L571 R572	L193-W568 HydrophobicContact CB-CB 4.12Å; V196-W568 HydrophobicContact CB-CD2 4.32Å; V196-W568 HydrophobicContact CB-CG 4.18Å; V196-W568 HydrophobicContact CG1-CD2 3.98Å; V196-W568 HydrophobicContact CG1-CE3 4.47Å; V196-W568 HydrophobicContact CG1-CG 4.38Å; V196-W568 HydrophobicContact CG1-CH2 4.38Å; V196-W568 HydrophobicContact CG1-CZ2 3.87Å; V196-W568 HydrophobicContact CG2-CB 4.12Å; V196-W568 HydrophobicContact CG2-CD2 4.18Å; V196-W568 HydrophobicContact CG2-CG 3.85Å; M280-W568 HydrophobicContact CE-CD2 3.92Å; M280-W568 HydrophobicContact CE-CE3 3.49Å; M280-W568 VanDerWaalsContact CE-CE3 3.49Å; M280-W568 HydrophobicContact CE-CH2 3.79Å; M280-W568 HydrophobicContact CE-CZ2 4.18Å; M280-W568 HydrophobicContact CE-CZ3 3.43Å; M280-W568 VanDerWaalsContact CE-CZ3 3.43Å; W427-W568 HydrophobicContact CB-CH2 4.48Å; W427-W568 AromaticContact CD1-CH2 3.73Å; W427-W568 AromaticContact CD1-CZ2 3.76Å; W427-W568 HydrophobicContact CD2-CH2 4.1Å; W427-W568 AromaticContact CG-CH2 3.88Å; W427-W568 HydrophobicContact CG-CH2 3.88Å; W427-W568 HydrophobicContact CG-CZ2 4.37Å; W427-W568 AromaticContact NE1-CH2 3.82Å; W427-W568 AromaticContact NE1-CZ2 3.67Å; L429-W568 HydrophobicContact CD1-CZ3 4.42Å; L429-W568 HydrophobicContact CD2-CD2 4.44Å; L429-W568 HydrophobicContact CD2-CE3 3.75Å; L429-W568 HydrophobicContact CD2-CH2 4.36Å; L429-W568 HydrophobicContact CD2-CZ3 3.7Å; M435-W568 HydrophobicContact CE-CH2 3.7Å; M435-W568 HydrophobicContact CE-CZ3 3.74Å; M435-W568 HydrophobicContact SD-CH2 4.34Å; M435-W568 HydrophobicContact SD-CZ3 3.75Å; L506-W568 HydrophobicContact CD2-CH2 3.65Å; L506-W568 HydrophobicContact CD2-CZ2 3.8Å; M564-W568 PolarHBondContact O-N 2.68Å; W568-I570 VanDerWaalsContact C-N 3.34Å; W568-I570 PolarHBondContact O-N 2.71Å; W568-L571 HydrophobicContact CE3-CD2 4.17Å; W568-L571 HydrophobicContact CZ3-CD2 4.07Å; W568-L571 PolarHBondContact O-N 2.99Å; W568-R572 WeakPolarHBondContact O-CB 3.4Å; W568-R572 PolarHBondContact O-N 2.87Å
569	G	93.1	Very high	91.6	Very high	8 Å²	8	32.2 Å²	32.2	8%	0.082	17%	0.168	C	C	.	.	H	α-helix	trans	-63.7	-36.6	177.9	0	0	0	0	0	113.5	D565 T566 C573	D565-G569 PolarHBondContact O-N 3.4Å; T566-G569 PolarHBondContact O-N 2.75Å; G569-C573 PolarHBondContact O-N 2.82Å
570	I	93.1	Very high	91.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.7	-52	172.3	-71	174.5	0	0	0	110.3	L188 L279 T566 A567 W568 R572 C573 I574	L188-I570 HydrophobicContact CB-CD1 4.25Å; L188-I570 HydrophobicContact CB-CG1 4.03Å; L188-I570 HydrophobicContact CD1-CG2 4.43Å; L188-I570 VanDerWaalsContact O-CG1 3.29Å; L188-I570 WeakPolarHBondContact O-CG1 3.3Å; L279-I570 WeakPolarHBondContact O-CG2 3.4Å; T566-I570 HydrophobicContact CG2-CD1 3.97Å; T566-I570 HydrophobicContact CG2-CG1 4.37Å; T566-I570 WeakPolarHBondContact O-CB 3.39Å; T566-I570 VanDerWaalsContact O-CG1 3.22Å; T566-I570 WeakPolarHBondContact O-CG1 3.5Å; T566-I570 PolarHBondContact O-N 3.33Å; A567-I570 PolarHBondContact O-N 3.43Å; W568-I570 VanDerWaalsContact C-N 3.34Å; W568-I570 PolarHBondContact O-N 2.71Å; I570-R572 VanDerWaalsContact C-N 3.29Å; I570-R572 PolarHBondContact O-N 2.78Å; I570-C573 PolarHBondContact O-N 3.34Å; I570-I574 HydrophobicContact CG2-CD1 4.15Å; I570-I574 PolarHBondContact O-N 2.6Å
571	L	91.3	Very high	91.5	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.2	-42.7	-178.6	-174.4	62.4	0	0	0	111.6	F270 L279 M280 M435 A567 W568 I574 I575	F270-L571 HydrophobicContact CZ-CD1 3.83Å; L279-L571 HydrophobicContact CB-CD1 3.87Å; L279-L571 HydrophobicContact CD1-CD1 3.64Å; L279-L571 HydrophobicContact CG-CD1 4.42Å; M280-L571 HydrophobicContact CE-CD2 3.53Å; M280-L571 HydrophobicContact CG-CB 4.28Å; M280-L571 HydrophobicContact CG-CD2 4.42Å; M435-L571 HydrophobicContact SD-CD2 3.65Å; A567-L571 PolarHBondContact O-N 3.48Å; A567-L571 VanDerWaalsContact O-N 3.08Å; W568-L571 HydrophobicContact CE3-CD2 4.17Å; W568-L571 HydrophobicContact CZ3-CD2 4.07Å; W568-L571 PolarHBondContact O-N 2.99Å; L571-I574 PolarHBondContact O-N 2.93Å; L571-I575 HydrophobicContact CD1-CD1 4.27Å; L571-I575 HydrophobicContact CD2-CD1 4.37Å; L571-I575 HydrophobicContact CG-CD1 3.81Å; L571-I575 HydrophobicContact CG-CG1 4.5Å; L571-I575 WeakPolarHBondContact O-CG1 3.03Å; L571-I575 PolarHBondContact O-N 3.06Å
572	R	91.2	Very high	91.5	Very high	14 Å²	14	29.1 Å²	29.1	5%	0.053	17%	0.165	C	C	.	.	H	α-helix	trans	-66.7	-38.5	178	-79.7	-62.6	-54.1	-93.6	8.9	114.2	L193 L429 G430 W568 I570 I574 I575 D576	L193-R572 HydrophobicContact CD2-CG 3.86Å; L429-R572 VanDerWaalsContact C-NH1 3.28Å; L429-R572 HydrophobicContact CB-CG 4.43Å; L429-R572 HydrophobicContact CD1-CG 4.2Å; L429-R572 PolarHBondContact O-NH1 3.24Å; G430-R572 PolarHBondContact O-NH1 3.4Å; G430-R572 PolarHBondContact O-NH2 3.19Å; W568-R572 WeakPolarHBondContact O-CB 3.4Å; W568-R572 PolarHBondContact O-N 2.87Å; I570-R572 VanDerWaalsContact C-N 3.29Å; I570-R572 PolarHBondContact O-N 2.78Å; R572-I574 PolarHBondContact O-N 2.91Å; R572-I575 PolarHBondContact O-N 2.95Å; R572-D576 IonicContact CZ-OD1 2.73Å; R572-D576 VanDerWaalsContact CZ-OD1 3.27Å; R572-D576 IonicContact NE-OD1 2.74Å; R572-D576 PolarHBondContact NE-OD1 3.42Å; R572-D576 IonicContact NE-OD2 3.51Å; R572-D576 IonicContact NH2-OD1 2.98Å; R572-D576 PolarHBondContact NH2-OD1 2.98Å; R572-D576 IonicContact NH2-OD2 3.78Å; R572-D576 VanDerWaalsContact O-CB 3.27Å; R572-D576 WeakPolarHBondContact O-CB 3.35Å; R572-D576 PolarHBondContact O-N 3.32Å
573	C	92.1	Very high	91.5	Very high	40 Å²	40	32.1 Å²	32.1	27%	0.27	19%	0.186	S	C	.	.	H	α-helix	trans	-62.4	-32.8	174.8	-174.2	0	0	0	0	112.7	L191 G569 I570 K577	L191-C573 HydrophobicContact CD1-CB 3.44Å; L191-C573 VanDerWaalsContact CD1-CB 3.44Å; G569-C573 PolarHBondContact O-N 2.82Å; I570-C573 PolarHBondContact O-N 3.34Å; C573-K577 WeakPolarHBondContact O-CB 3.25Å; C573-K577 VanDerWaalsContact O-CG 3.24Å; C573-K577 WeakPolarHBondContact O-CG 3.32Å; C573-K577 PolarHBondContact O-N 3.08Å
574	I	91.5	Very high	91.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-72.1	-49.2	173.7	-64.3	165.3	0	0	0	110.5	L279 F303 I570 L571 R572 K577 C578 L588 L597	L279-I574 HydrophobicContact CB-CD1 4.49Å; L279-I574 HydrophobicContact CD2-CD1 4.44Å; F303-I574 HydrophobicContact CE1-CG2 3.97Å; F303-I574 HydrophobicContact CZ-CG2 4.15Å; I570-I574 HydrophobicContact CG2-CD1 4.15Å; I570-I574 PolarHBondContact O-N 2.6Å; L571-I574 PolarHBondContact O-N 2.93Å; R572-I574 PolarHBondContact O-N 2.91Å; I574-K577 PolarHBondContact O-N 3.2Å; I574-C578 PolarHBondContact O-N 3.46Å; I574-C578 PolarHBondContact O-SG 3.34Å; I574-L588 HydrophobicContact CD1-CD2 4.3Å; I574-L588 HydrophobicContact CG2-CD2 3.66Å; I574-L597 HydrophobicContact CD1-CD2 4.24Å
575	I	90.1	Very high	91.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-54.8	179.1	-69.3	169	0	0	0	111.1	T268 F270 L301 F303 I433 L571 R572 K577 C578 L579	T268-I575 HydrophobicContact CG2-CD1 4.17Å; T268-I575 HydrophobicContact CG2-CG1 4.28Å; F270-I575 HydrophobicContact CE2-CD1 3.9Å; F270-I575 HydrophobicContact CZ-CD1 4.24Å; L301-I575 HydrophobicContact CD2-CG2 4.31Å; F303-I575 HydrophobicContact CE2-CG1 4.05Å; F303-I575 HydrophobicContact CZ-CG1 4.12Å; I433-I575 HydrophobicContact CG2-CG2 4.09Å; L571-I575 HydrophobicContact CD1-CD1 4.27Å; L571-I575 HydrophobicContact CD2-CD1 4.37Å; L571-I575 HydrophobicContact CG-CD1 3.81Å; L571-I575 HydrophobicContact CG-CG1 4.5Å; L571-I575 WeakPolarHBondContact O-CG1 3.03Å; L571-I575 PolarHBondContact O-N 3.06Å; R572-I575 PolarHBondContact O-N 2.95Å; I575-K577 PolarHBondContact O-N 3.39Å; I575-C578 PolarHBondContact O-N 3.11Å; I575-L579 HydrophobicContact CG2-CD1 3.52Å; I575-L579 HydrophobicContact CG2-CG 4.18Å; I575-L579 WeakPolarHBondContact O-CB 3.41Å; I575-L579 VanDerWaalsContact O-CG 3.27Å; I575-L579 WeakPolarHBondContact O-CG 3.5Å; I575-L579 PolarHBondContact O-N 3.23Å
576	D	90.5	Very high	91.4	Very high	66 Å²	66	28.1 Å²	28.1	35%	0.353	17%	0.172	S	C	.	.	H	α-helix	trans	-58.2	-35.6	-178	-62.6	-9.2	0	0	0	111.3	I433 R572 S580	I433-D576 WeakPolarHBondContact CD1-OD1 3.27Å; R572-D576 IonicContact CZ-OD1 2.73Å; R572-D576 VanDerWaalsContact CZ-OD1 3.27Å; R572-D576 IonicContact NE-OD1 2.74Å; R572-D576 PolarHBondContact NE-OD1 3.42Å; R572-D576 IonicContact NE-OD2 3.51Å; R572-D576 IonicContact NH2-OD1 2.98Å; R572-D576 PolarHBondContact NH2-OD1 2.98Å; R572-D576 IonicContact NH2-OD2 3.78Å; R572-D576 VanDerWaalsContact O-CB 3.27Å; R572-D576 WeakPolarHBondContact O-CB 3.35Å; R572-D576 PolarHBondContact O-N 3.32Å; D576-S580 PolarHBondContact O-N 2.89Å
577	K	91.1	Very high	91.3	Very high	69 Å²	69	27.2 Å²	27.2	30%	0.3	17%	0.166	S	C	.	.	H	α-helix	trans	-67.1	-51.3	171.9	-80.5	-70.2	-169.3	174.5	0	112	E181 F183 C573 I574 I575 L579 S580	E181-K577 VanDerWaalsContact CD-NZ 3.26Å; E181-K577 HydrophobicContact CG-CD 4.18Å; E181-K577 WeakPolarHBondContact OE1-CE 3.34Å; E181-K577 IonicContact OE1-NZ 2.74Å; E181-K577 PolarHBondContact OE1-NZ 3.08Å; E181-K577 IonicContact OE2-NZ 3.57Å; E181-K577 PolarHBondContact OE2-NZ 3.15Å; F183-K577 HydrophobicContact CE1-CB 4.44Å; F183-K577 HydrophobicContact CE1-CG 3.96Å; F183-K577 HydrophobicContact CZ-CB 3.98Å; F183-K577 HydrophobicContact CZ-CG 3.92Å; C573-K577 WeakPolarHBondContact O-CB 3.25Å; C573-K577 VanDerWaalsContact O-CG 3.24Å; C573-K577 WeakPolarHBondContact O-CG 3.32Å; C573-K577 PolarHBondContact O-N 3.08Å; I574-K577 PolarHBondContact O-N 3.2Å; I575-K577 PolarHBondContact O-N 3.39Å; K577-L579 PolarHBondContact O-N 3.28Å; K577-L579 VanDerWaalsContact O-N 3.16Å; K577-S580 WeakPolarHBondContact O-CB 3.26Å; K577-S580 PolarHBondContact O-N 3.17Å; K577-S580 PolarHBondContact O-OG 3.38Å
578	C	89.9	Confident	91.3	Very high	3 Å²	3	27 Å²	27	2%	0.02	17%	0.165	C	C	.	.	H	α-helix	trans	-58.1	-30.3	177.5	-64	0	0	0	0	112.5	V293 R295 L301 I574 I575	V293-C578 HydrophobicContact CG1-CB 4.45Å; R295-C578 PolarHBondContact NH1-O 3.05Å; L301-C578 HydrophobicContact CD1-CB 4.01Å; L301-C578 HydrophobicContact CD2-CB 3.67Å; L301-C578 HydrophobicContact CG-CB 4.49Å; I574-C578 PolarHBondContact O-N 3.46Å; I574-C578 PolarHBondContact O-SG 3.34Å; I575-C578 PolarHBondContact O-N 3.11Å
579	L	87.3	Confident	91.2	Very high	24 Å²	24	26.7 Å²	26.7	13%	0.126	16%	0.164	C	C	.	.	H	α-helix	trans	-78.3	-14.3	175.2	-65.7	172.3	0	0	0	114.9	I266 R295 L301 I433 I575 K577	I266-L579 HydrophobicContact CD1-CD1 3.97Å; I266-L579 HydrophobicContact CD1-CD2 4.39Å; I266-L579 HydrophobicContact CG2-CD1 3.79Å; I266-L579 HydrophobicContact CG2-CD2 3.55Å; I266-L579 HydrophobicContact CG2-CG 4.32Å; R295-L579 VanDerWaalsContact CZ-O 3.29Å; R295-L579 PolarHBondContact NH1-O 2.78Å; R295-L579 PolarHBondContact NH2-O 3.17Å; L301-L579 HydrophobicContact CB-CD2 4.16Å; L301-L579 HydrophobicContact CD2-CD2 4.05Å; L301-L579 HydrophobicContact CD2-CG 4.11Å; I433-L579 HydrophobicContact CD1-CD1 3.55Å; I433-L579 HydrophobicContact CG1-CD1 3.87Å; I575-L579 HydrophobicContact CG2-CD1 3.52Å; I575-L579 HydrophobicContact CG2-CG 4.18Å; I575-L579 WeakPolarHBondContact O-CB 3.41Å; I575-L579 VanDerWaalsContact O-CG 3.27Å; I575-L579 WeakPolarHBondContact O-CG 3.5Å; I575-L579 PolarHBondContact O-N 3.23Å; K577-L579 PolarHBondContact O-N 3.28Å; K577-L579 VanDerWaalsContact O-N 3.16Å
580	S	89.4	Confident	91	Very high	79 Å²	79	26.5 Å²	26.5	55%	0.552	16%	0.161	S	C	*	.	H	α-helix	trans	-83.2	-15.8	172.7	70.6	0	0	0	0	114.9	D576 K577	D576-S580 PolarHBondContact O-N 2.89Å; K577-S580 WeakPolarHBondContact O-CB 3.26Å; K577-S580 PolarHBondContact O-N 3.17Å; K577-S580 PolarHBondContact O-OG 3.38Å
581	L	91.1	Very high	90.9	Very high	30 Å²	30	27.6 Å²	27.6	16%	0.157	17%	0.167	C	C	.	.	S	Bend	trans	-80	175.6	-175.8	-59.6	-176.3	0	0	0	113.5	V180 R295 Y586 L599	V180-L581 HydrophobicContact CG1-CD1 3.99Å; V180-L581 HydrophobicContact CG1-CD2 3.5Å; V180-L581 HydrophobicContact CG1-CG 4.42Å; R295-L581 PolarHBondContact NH1-O 3.31Å; L581-Y586 HydrophobicContact CB-CE1 4.47Å; L581-Y586 HydrophobicContact CD1-CD1 3.97Å; L581-Y586 HydrophobicContact CD1-CE1 3.63Å; L581-Y586 HydrophobicContact CD1-CE2 4.4Å; L581-L599 HydrophobicContact CD1-CD2 3.82Å
582	P	91.6	Very high	90.6	Very high	77 Å²	77	28.2 Å²	28.2	50%	0.5	17%	0.171	S	C	.	.			trans	-74.2	160.9	161.7	27.9	-32.3	0	0	0	112.1	Y586	P582-Y586 WeakPolarHBondContact CD-OH 3.47Å; P582-Y586 WeakPolarHBondContact CG-OH 2.94Å; P582-Y586 WeakPolarHBondContact O-CE2 3.23Å; P582-Y586 PolarHBondContact O-OH 2.88Å
583	P	90.7	Very high	90.4	Very high	83 Å²	83	31.4 Å²	31.4	54%	0.539	19%	0.189	S	C	.	.	S	Bend	trans	-60.6	147.6	170	27.3	-34.8	0	0	0	111.7	R295	R295-P583 HydrophobicContact CG-CB 4.46Å
584	G	90.7	Very high	90.3	Very high	34 Å²	34	35.2 Å²	35.2	35%	0.351	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	153.7	-177.1	-173	0	0	0	0	0	113.8	R295	R295-G584 PolarHBondContact N-O 3.26Å; R295-G584 PolarHBondContact O-N 2.76Å; R295-G584 VanDerWaalsContact O-N 3.14Å
585	K	91.7	Very high	90.2	Very high	20 Å²	20	38.6 Å²	38.6	9%	0.087	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	129.9	177.1	-157.2	172.2	-167.5	171.5	0	109.2	V292 H294 V602 A604 E606 E608	V292-K585 HydrophobicContact CG1-CG 4.05Å; H294-K585 VanDerWaalsContact CE1-CE 3.47Å; H294-K585 WeakPolarHBondContact CE1-CE 3.43Å; K585-V602 PolarHBondContact O-N 3Å; K585-V602 VanDerWaalsContact O-O 3.12Å; K585-A604 WeakPolarHBondContact CD-O 3.47Å; K585-A604 PolarHBondContact NZ-O 3.33Å; K585-E606 WeakPolarHBondContact CE-O 3.36Å; K585-E606 PolarHBondContact NZ-O 3.17Å; K585-E608 IonicContact NZ-OE1 3.7Å
586	Y	93.3	Very high	90.3	Very high	7 Å²	7	40 Å²	40	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	159.9	-180	-59.7	-91.7	0	0	0	110	V180 V293 L581 P582 Y600 K601	V180-Y586 HydrophobicContact CG2-CD1 4.38Å; V180-Y586 HydrophobicContact CG2-CE1 4.34Å; V293-Y586 PolarHBondContact N-O 2.78Å; V293-Y586 PolarHBondContact O-N 2.93Å; L581-Y586 HydrophobicContact CB-CE1 4.47Å; L581-Y586 HydrophobicContact CD1-CD1 3.97Å; L581-Y586 HydrophobicContact CD1-CE1 3.63Å; L581-Y586 HydrophobicContact CD1-CE2 4.4Å; P582-Y586 WeakPolarHBondContact CD-OH 3.47Å; P582-Y586 WeakPolarHBondContact CG-OH 2.94Å; P582-Y586 WeakPolarHBondContact O-CE2 3.23Å; P582-Y586 PolarHBondContact O-OH 2.88Å; Y586-Y600 CarbonylContact C-O 3.58Å; Y586-Y600 VanDerWaalsContact CA-O 3.23Å; Y586-Y600 WeakPolarHBondContact CA-O 2.9Å; Y586-Y600 WeakPolarHBondContact CB-O 3.19Å; Y586-K601 HydrophobicContact CD1-CB 3.75Å; Y586-K601 HydrophobicContact CD1-CG 4.23Å; Y586-K601 HydrophobicContact CE1-CB 3.68Å; Y586-K601 HydrophobicContact CE1-CD 4.11Å; Y586-K601 HydrophobicContact CE1-CG 3.82Å
587	L	92.4	Very high	90.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	118.4	176.2	-168	81.4	0	0	0	110.1	V171 W177 D290 V292 Y600 V602 F607	V171-L587 HydrophobicContact CG1-CD2 3.73Å; W177-L587 HydrophobicContact CE3-CD2 4.49Å; W177-L587 HydrophobicContact CH2-CD2 3.87Å; W177-L587 HydrophobicContact CZ3-CD2 3.6Å; D290-L587 HydrophobicContact CB-CD1 4.03Å; D290-L587 HydrophobicContact CB-CD2 4.18Å; D290-L587 HydrophobicContact CB-CG 4.16Å; V292-L587 HydrophobicContact CB-CD1 4.44Å; V292-L587 HydrophobicContact CG2-CD1 3.93Å; L587-Y600 PolarHBondContact N-O 3.37Å; L587-Y600 PolarHBondContact O-N 2.81Å; L587-V602 HydrophobicContact CB-CG2 3.91Å; L587-F607 HydrophobicContact CD1-CE2 3.99Å; L587-F607 HydrophobicContact CD1-CZ 4.2Å; L587-F607 HydrophobicContact CD2-CZ 4.26Å
588	L	91.8	Very high	90.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	111.8	176.4	-173.8	69.6	0	0	0	109.1	F183 L279 D290 V291 V293 I574 L597 L598 L599	F183-L588 HydrophobicContact CE2-CD1 4.27Å; L279-L588 HydrophobicContact CD2-CD2 3.58Å; D290-L588 WeakPolarHBondContact CA-O 3.48Å; V291-L588 PolarHBondContact N-O 3.32Å; V291-L588 PolarHBondContact O-N 3.29Å; V293-L588 HydrophobicContact CG2-CB 4.33Å; I574-L588 HydrophobicContact CD1-CD2 4.3Å; I574-L588 HydrophobicContact CG2-CD2 3.66Å; L588-L597 HydrophobicContact CD1-CD1 4.43Å; L588-L597 HydrophobicContact CD1-CD2 3.81Å; L588-L597 HydrophobicContact CD1-CG 3.82Å; L588-L597 HydrophobicContact CD2-CD2 4.15Å; L588-L597 HydrophobicContact CG-CD1 4.2Å; L588-L597 HydrophobicContact CG-CD2 4.04Å; L588-L597 HydrophobicContact CG-CG 4.1Å; L588-L598 WeakPolarHBondContact CA-O 3.18Å; L588-L599 HydrophobicContact CB-CD1 4.13Å; L588-L599 HydrophobicContact CD1-CB 4.09Å; L588-L599 HydrophobicContact CD1-CD1 4.09Å
589	M	90.9	Very high	90.8	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.03	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.5	-167.3	-172.6	-170.3	-171	0	0	112.6	P169 V171 V173 W289 D290 L598 Y600	P169-M589 HydrophobicContact CB-CE 3.51Å; V171-M589 HydrophobicContact CG1-CE 3.71Å; V171-M589 HydrophobicContact CG1-SD 3.87Å; V173-M589 HydrophobicContact CG2-CE 4.22Å; V173-M589 HydrophobicContact CG2-SD 3.72Å; W289-M589 WeakPolarHBondContact O-CA 3.14Å; D290-M589 HydrophobicContact CB-CG 4.45Å; M589-L598 PolarHBondContact N-O 2.88Å; M589-L598 PolarHBondContact O-N 2.94Å; M589-Y600 HydrophobicContact CB-CD2 4.26Å; M589-Y600 HydrophobicContact CB-CE2 4.12Å; M589-Y600 HydrophobicContact SD-CE2 4.01Å
590	K	90.1	Very high	91.1	Very high	5 Å²	5	34.2 Å²	34.2	2%	0.022	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	123.7	173.5	173.6	60.4	-179.3	57.6	0	110.8	S285 Y287 S288 W289 K594 L596 L597	S285-K590 VanDerWaalsContact O-CE 3.29Å; S285-K590 WeakPolarHBondContact O-CE 3.28Å; Y287-K590 VanDerWaalsContact O-CG 3.23Å; Y287-K590 WeakPolarHBondContact O-CG 3.34Å; S288-K590 WeakPolarHBondContact CA-O 3.27Å; S288-K590 WeakPolarHBondContact CB-O 3.4Å; S288-K590 PolarHBondContact OG-O 2.85Å; W289-K590 HydrophobicContact CD2-CB 3.88Å; W289-K590 HydrophobicContact CG-CB 3.93Å; W289-K590 HydrophobicContact CZ2-CB 4.18Å; W289-K590 PolarHBondContact O-N 3.32Å; K590-K594 PolarHBondContact NZ-O 3.28Å; K590-K594 VanDerWaalsContact NZ-O 3.09Å; K590-L596 WeakPolarHBondContact CD-O 3.22Å; K590-L597 HydrophobicContact CB-CD1 4.07Å
591	D	89.4	Confident	91.3	Very high	22 Å²	22	34.7 Å²	34.7	12%	0.118	19%	0.193	C	C	.	.			trans	-61.8	128.7	176.1	-179	-46.7	0	0	0	109.8	N593 K594 L596	D591-N593 VanDerWaalsContact C-N 3.25Å; D591-N593 PolarHBondContact O-N 2.87Å; D591-N593 WeakPolarHBondContact OD1-CA 3.49Å; D591-N593 PolarHBondContact OD1-N 2.75Å; D591-K594 HydrophobicContact CB-CB 4.15Å; D591-K594 PolarHBondContact OD1-N 3.02Å; D591-K594 VanDerWaalsContact OD2-CD 3.28Å; D591-K594 WeakPolarHBondContact OD2-CD 3.44Å; D591-K594 WeakPolarHBondContact OD2-CG 3.03Å; D591-K594 IonicContact OD2-NZ 2.67Å; D591-L596 HydrophobicContact CB-CD1 3.72Å; D591-L596 HydrophobicContact CB-CG 4.17Å; D591-L596 PolarHBondContact N-O 2.64Å; D591-L596 VanDerWaalsContact N-O 3.13Å
592	P	86.5	Confident	91.4	Very high	14 Å²	14	34 Å²	34	9%	0.091	19%	0.19	C	C	.	.	S	Bend	trans	-63.5	-24.2	-177.6	21.3	-32.4	0	0	0	115.2	R167 P169	R167-P592 HydrophobicContact CB-CB 3.89Å; R167-P592 WeakPolarHBondContact CB-O 3.44Å; R167-P592 WeakPolarHBondContact CD-O 3.26Å; R167-P592 PolarHBondContact NH1-O 3.38Å; R167-P592 VanDerWaalsContact O-CB 3.29Å; R167-P592 WeakPolarHBondContact O-CB 3.24Å; P169-P592 HydrophobicContact CB-CG 4.1Å
593	N	87	Confident	91.3	Very high	80 Å²	80	35.8 Å²	35.8	43%	0.428	19%	0.19	S	C	.	.	S	Bend	trans	-122.5	-25.1	-168.5	-65.3	-66.4	0	0	0	113.3	A166 R167 D591	A166-N593 WeakPolarHBondContact CA-OD1 3.47Å; R167-N593 PolarHBondContact N-OD1 3.28Å; R167-N593 PolarHBondContact O-ND2 2.77Å; R167-N593 VanDerWaalsContact O-ND2 3.11Å; D591-N593 VanDerWaalsContact C-N 3.25Å; D591-N593 PolarHBondContact O-N 2.87Å; D591-N593 WeakPolarHBondContact OD1-CA 3.49Å; D591-N593 PolarHBondContact OD1-N 2.75Å
594	K	89.1	Confident	91	Very high	121 Å²	121	34.9 Å²	34.9	53%	0.526	19%	0.19	S	C	.	.	S	Bend	trans	-104.3	153.3	176.4	-56.4	177.1	-162.8	153.4	0	112.2	K590 D591 L596	K590-K594 PolarHBondContact NZ-O 3.28Å; K590-K594 VanDerWaalsContact NZ-O 3.09Å; D591-K594 HydrophobicContact CB-CB 4.15Å; D591-K594 PolarHBondContact OD1-N 3.02Å; D591-K594 VanDerWaalsContact OD2-CD 3.28Å; D591-K594 WeakPolarHBondContact OD2-CD 3.44Å; D591-K594 WeakPolarHBondContact OD2-CG 3.03Å; D591-K594 IonicContact OD2-NZ 2.67Å; K594-L596 HydrophobicContact CB-CD2 3.94Å; K594-L596 HydrophobicContact CB-CG 3.84Å; K594-L596 HydrophobicContact CD-CD2 3.71Å; K594-L596 HydrophobicContact CD-CG 4.35Å; K594-L596 PolarHBondContact O-N 2.85Å
595	P	89.3	Confident	90.6	Very high	70 Å²	70	40 Å²	40	46%	0.455	20%	0.204	S	C	.	.	S	Bend	trans	-83.6	54.5	175.5	36.3	-36.4	0	0	0	111.8	L185	L185-P595 WeakPolarHBondContact CB-O 2.87Å; L185-P595 HydrophobicContact CD1-CB 4.28Å; L185-P595 WeakPolarHBondContact CG-O 3.46Å; L185-P595 PolarHBondContact N-O 2.89Å
596	L	92.4	Very high	89.9	Confident	30 Å²	30	40 Å²	40	16%	0.157	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	158.9	179.5	63.8	81.9	0	0	0	111.9	F183 K590 D591 K594 L598	F183-L596 WeakPolarHBondContact O-CA 3.47Å; K590-L596 WeakPolarHBondContact CD-O 3.22Å; D591-L596 HydrophobicContact CB-CD1 3.72Å; D591-L596 HydrophobicContact CB-CG 4.17Å; D591-L596 PolarHBondContact N-O 2.64Å; D591-L596 VanDerWaalsContact N-O 3.13Å; K594-L596 HydrophobicContact CB-CD2 3.94Å; K594-L596 HydrophobicContact CB-CG 3.84Å; K594-L596 HydrophobicContact CD-CD2 3.71Å; K594-L596 HydrophobicContact CD-CG 4.35Å; K594-L596 PolarHBondContact O-N 2.85Å; L596-L598 HydrophobicContact CD1-CD1 4.08Å; L596-L598 HydrophobicContact CD1-CD2 3.59Å; L596-L598 HydrophobicContact CD1-CG 3.56Å
597	L	92.6	Very high	89.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128	-178.1	-176.7	77.2	0	0	0	108	F183 W289 I574 L588 K590	F183-L597 HydrophobicContact CB-CB 4.26Å; F183-L597 HydrophobicContact CD2-CD2 4.47Å; F183-L597 PolarHBondContact N-O 3.27Å; F183-L597 PolarHBondContact O-N 2.87Å; W289-L597 HydrophobicContact CH2-CD1 3.47Å; W289-L597 VanDerWaalsContact CH2-CD1 3.47Å; W289-L597 HydrophobicContact CH2-CD2 4.42Å; W289-L597 HydrophobicContact CZ2-CD1 3.67Å; W289-L597 HydrophobicContact CZ3-CD1 4.11Å; I574-L597 HydrophobicContact CD1-CD2 4.24Å; L588-L597 HydrophobicContact CD1-CD1 4.43Å; L588-L597 HydrophobicContact CD1-CD2 3.81Å; L588-L597 HydrophobicContact CD1-CG 3.82Å; L588-L597 HydrophobicContact CD2-CD2 4.15Å; L588-L597 HydrophobicContact CG-CD1 4.2Å; L588-L597 HydrophobicContact CG-CD2 4.04Å; L588-L597 HydrophobicContact CG-CG 4.1Å; K590-L597 HydrophobicContact CB-CD1 4.07Å
598	L	94	Very high	87.9	Confident	17 Å²	17	45.2 Å²	45.2	9%	0.089	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.2	-175.2	-62.9	174.6	0	0	0	109.9	V179 E182 L588 M589 L596 Y600	V179-L598 HydrophobicContact CG1-CD2 4.43Å; E182-L598 HydrophobicContact CB-CD2 4.13Å; E182-L598 HydrophobicContact CG-CD2 3.59Å; L588-L598 WeakPolarHBondContact CA-O 3.18Å; M589-L598 PolarHBondContact N-O 2.88Å; M589-L598 PolarHBondContact O-N 2.94Å; L596-L598 HydrophobicContact CD1-CD1 4.08Å; L596-L598 HydrophobicContact CD1-CD2 3.59Å; L596-L598 HydrophobicContact CD1-CG 3.56Å; L598-Y600 HydrophobicContact CB-CD2 4.27Å; L598-Y600 HydrophobicContact CB-CE2 3.73Å; L598-Y600 HydrophobicContact CD1-CE2 4.11Å; L598-Y600 VanDerWaalsContact CD1-OH 3.3Å; L598-Y600 WeakPolarHBondContact CD1-OH 3.18Å
599	L	94.9	Very high	86.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	110.8	169.8	-177.4	59.9	0	0	0	109.2	V180 E181 F183 L581 L588	V180-L599 HydrophobicContact CB-CG 4.49Å; V180-L599 WeakPolarHBondContact CB-O 3.48Å; V180-L599 PolarHBondContact N-O 2.84Å; E181-L599 HydrophobicContact CB-CB 4.24Å; E181-L599 PolarHBondContact O-N 3.32Å; F183-L599 HydrophobicContact CE2-CB 4.37Å; L581-L599 HydrophobicContact CD1-CD2 3.82Å; L588-L599 HydrophobicContact CB-CD1 4.13Å; L588-L599 HydrophobicContact CD1-CB 4.09Å; L588-L599 HydrophobicContact CD1-CD1 4.09Å
600	Y	94.7	Very high	84.6	Confident	23 Å²	23	53.9 Å²	53.9	9%	0.09	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	145.8	174	-65.8	-86.8	0	0	0	110.9	V173 W177 E178 V179 Y586 L587 M589 L598	V173-Y600 HydrophobicContact CG1-CD1 4.44Å; V173-Y600 HydrophobicContact CG1-CE1 3.64Å; V173-Y600 HydrophobicContact CG2-CE2 4.28Å; W177-Y600 HydrophobicContact CB-CD1 3.86Å; W177-Y600 HydrophobicContact CB-CG 4.49Å; W177-Y600 HydrophobicContact CE3-CD1 4.24Å; W177-Y600 HydrophobicContact CE3-CD2 4.46Å; W177-Y600 HydrophobicContact CE3-CG 4.11Å; E178-Y600 CarbonylContact O-C 2.76Å; E178-Y600 WeakPolarHBondContact O-CA 3.44Å; V179-Y600 HydrophobicContact CG2-CD1 3.88Å; V179-Y600 HydrophobicContact CG2-CE1 3.5Å; Y586-Y600 CarbonylContact C-O 3.58Å; Y586-Y600 VanDerWaalsContact CA-O 3.23Å; Y586-Y600 WeakPolarHBondContact CA-O 2.9Å; Y586-Y600 WeakPolarHBondContact CB-O 3.19Å; L587-Y600 PolarHBondContact N-O 3.37Å; L587-Y600 PolarHBondContact O-N 2.81Å; M589-Y600 HydrophobicContact CB-CD2 4.26Å; M589-Y600 HydrophobicContact CB-CE2 4.12Å; M589-Y600 HydrophobicContact SD-CE2 4.01Å; L598-Y600 HydrophobicContact CB-CD2 4.27Å; L598-Y600 HydrophobicContact CB-CE2 3.73Å; L598-Y600 HydrophobicContact CD1-CE2 4.11Å; L598-Y600 VanDerWaalsContact CD1-OH 3.3Å; L598-Y600 WeakPolarHBondContact CD1-OH 3.18Å
601	K	94	Very high	82.4	Confident	90 Å²	90	56.9 Å²	56.9	39%	0.391	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.5	164.9	171.9	176.9	153	-147.4	0	109.1	E178 V180 Y586	E178-K601 HydrophobicContact CB-CB 4.3Å; E178-K601 PolarHBondContact N-O 3.34Å; E178-K601 PolarHBondContact O-N 3.25Å; E178-K601 WeakPolarHBondContact OE2-CD 3.41Å; E178-K601 WeakPolarHBondContact OE2-CE 3.13Å; E178-K601 IonicContact OE2-NZ 2.67Å; E178-K601 PolarHBondContact OE2-NZ 2.85Å; V180-K601 HydrophobicContact CG2-CB 3.56Å; Y586-K601 HydrophobicContact CD1-CB 3.75Å; Y586-K601 HydrophobicContact CD1-CG 4.23Å; Y586-K601 HydrophobicContact CE1-CB 3.68Å; Y586-K601 HydrophobicContact CE1-CD 4.11Å; Y586-K601 HydrophobicContact CE1-CG 3.82Å
602	V	92.2	Very high	79.8	Confident	16 Å²	16	60.5 Å²	60.5	10%	0.097	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	156.5	-164.3	-175.1	0	0	0	0	109.2	W177 K585 L587 E606 F607	W177-V602 HydrophobicContact CD2-CG2 4.25Å; W177-V602 HydrophobicContact CG-CG2 4.4Å; K585-V602 PolarHBondContact O-N 3Å; K585-V602 VanDerWaalsContact O-O 3.12Å; L587-V602 HydrophobicContact CB-CG2 3.91Å; V602-E606 HydrophobicContact CG1-CB 3.36Å; V602-E606 HydrophobicContact CG1-CG 3.49Å; V602-E606 VanDerWaalsContact CG1-CG 3.49Å; V602-F607 HydrophobicContact CG1-CE2 4.42Å
603	K	89.7	Confident	77.3	Confident	113 Å²	113	66.5 Å²	66.5	49%	0.491	34%	0.344	S	S	.	.			trans	-65.9	156.9	171.9	-69.3	167.6	177.4	161.4	0	110.5	D176	D176-K603 VanDerWaalsContact OD2-CE 3.25Å; D176-K603 WeakPolarHBondContact OD2-CE 3.04Å; D176-K603 IonicContact OD2-NZ 2.65Å; D176-K603 PolarHBondContact OD2-NZ 3.27Å
604	A	83.9	Confident	74.7	Confident	65 Å²	65	64.6 Å²	64.6	54%	0.537	34%	0.344	S	S	.	.	S	Bend	trans	-61.4	-51.7	175.4	0	0	0	0	0	111.2	K585 E606 E608	K585-A604 WeakPolarHBondContact CD-O 3.47Å; K585-A604 PolarHBondContact NZ-O 3.33Å; A604-E606 PolarHBondContact O-N 2.88Å; A604-E608 VanDerWaalsContact O-OE1 3.05Å
605	E	82.9	Confident	71.8	Confident	140 Å²	140	65.7 Å²	65.7	65%	0.654	35%	0.354	S	S	*	.	S	Bend	trans	-56.5	-20	-179.3	-60.7	158.7	177.3	0	0	114.6	F607 E608	E605-F607 PolarHBondContact O-N 3.43Å; E605-E608 PolarHBondContact O-N 2.77Å
606	E	77.8	Confident	68.8	Low	22 Å²	22	69 Å²	69	10%	0.103	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	132.8	-178.3	-171.4	80.1	-149.9	0	0	110.7	K174 W177 K585 V602 A604 E608	K174-E606 WeakPolarHBondContact CE-OE1 3.07Å; K174-E606 IonicContact NZ-OE1 2.77Å; K174-E606 PolarHBondContact NZ-OE1 3.32Å; K174-E606 IonicContact NZ-OE2 3.21Å; K174-E606 PolarHBondContact NZ-OE2 3.06Å; W177-E606 HydrophobicContact CZ2-CG 4.09Å; K585-E606 WeakPolarHBondContact CE-O 3.36Å; K585-E606 PolarHBondContact NZ-O 3.17Å; V602-E606 HydrophobicContact CG1-CB 3.36Å; V602-E606 HydrophobicContact CG1-CG 3.49Å; V602-E606 VanDerWaalsContact CG1-CG 3.49Å; A604-E606 PolarHBondContact O-N 2.88Å; E606-E608 VanDerWaalsContact C-N 3.27Å; E606-E608 PolarHBondContact O-N 2.86Å
607	F	75.5	Confident	65.8	Low	14 Å²	14	72.7 Å²	72.7	6%	0.061	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	-9.1	-175.7	-41.2	-62.3	0	0	0	116.3	V171 W177 R306 L587 V602 E605 D609 E610	V171-F607 HydrophobicContact CG2-CE1 4.01Å; V171-F607 HydrophobicContact CG2-CZ 4.38Å; W177-F607 HydrophobicContact CH2-CE1 4.43Å; W177-F607 AromaticContact CH2-CZ 3.85Å; W177-F607 HydrophobicContact CH2-CZ 3.85Å; W177-F607 HydrophobicContact CZ2-CE1 4.42Å; W177-F607 AromaticContact CZ2-CZ 3.89Å; W177-F607 HydrophobicContact CZ2-CZ 3.89Å; R306-F607 VanDerWaalsContact CD-CE1 3.44Å; R306-F607 HydrophobicContact CG-CD1 4.37Å; R306-F607 HydrophobicContact CG-CD2 4.34Å; R306-F607 HydrophobicContact CG-CG 4.16Å; L587-F607 HydrophobicContact CD1-CE2 3.99Å; L587-F607 HydrophobicContact CD1-CZ 4.2Å; L587-F607 HydrophobicContact CD2-CZ 4.26Å; V602-F607 HydrophobicContact CG1-CE2 4.42Å; E605-F607 PolarHBondContact O-N 3.43Å; F607-D609 PolarHBondContact O-N 3.4Å; F607-E610 WeakPolarHBondContact CD1-OE2 3.24Å; F607-E610 WeakPolarHBondContact O-CB 3.48Å; F607-E610 PolarHBondContact O-N 3.04Å
608	E	67.4	Low	62.6	Low	101 Å²	101	81.8 Å²	81.8	47%	0.472	43%	0.433	S	S	.	.	H	α-helix	trans	-65.7	-26.9	177.1	-61.8	178	179.1	0	0	111.8	K585 A604 E605 E606 T612	K585-E608 IonicContact NZ-OE1 3.7Å; A604-E608 VanDerWaalsContact O-OE1 3.05Å; E605-E608 PolarHBondContact O-N 2.77Å; E606-E608 VanDerWaalsContact C-N 3.27Å; E606-E608 PolarHBondContact O-N 2.86Å; E608-T612 PolarHBondContact O-OG1 3.43Å
609	D	58.3	Low	59.5	Low	131 Å²	131	90.8 Å²	90.8	70%	0.701	47%	0.466	S	S	*	.	H	α-helix	trans	-66.6	-29	167.9	-56.6	-48.5	0	0	0	113.5	F607 D611 T612	F607-D609 PolarHBondContact O-N 3.4Å; D609-D611 VanDerWaalsContact C-N 3.26Å; D609-D611 PolarHBondContact O-N 3.24Å; D609-T612 PolarHBondContact O-OG1 3Å
610	E	54.8	Low	56.2	Low	58 Å²	58	100 Å²	100	27%	0.271	51%	0.509	S	S	.	.	H	α-helix	trans	-74.7	-17.2	-178.5	-68.2	-165.2	133.2	0	0	112	R306 A308 K327 F607	R306-E610 IonicContact CZ-OE2 3.5Å; R306-E610 IonicContact NH1-OE1 3.67Å; R306-E610 PolarHBondContact NH1-OE1 3.07Å; R306-E610 IonicContact NH1-OE2 3.7Å; R306-E610 PolarHBondContact NH1-OE2 2.73Å; A308-E610 HydrophobicContact CB-CB 4.05Å; A308-E610 HydrophobicContact CB-CG 4.24Å; K327-E610 IonicContact NZ-OE1 3.66Å; F607-E610 WeakPolarHBondContact CD1-OE2 3.24Å; F607-E610 WeakPolarHBondContact O-CB 3.48Å; F607-E610 PolarHBondContact O-N 3.04Å
611	D	45	Very low	53.4	Low	68 Å²	68	105.2 Å²	105.2	36%	0.364	54%	0.538	S	S	.	.	H	α-helix	trans	-94.6	-23	-175.6	-57.2	-39.9	0	0	0	112.9	L307 D609	L307-D611 HydrophobicContact CD1-CB 4.28Å; L307-D611 WeakPolarHBondContact CD1-OD1 3.17Å; D609-D611 VanDerWaalsContact C-N 3.26Å; D609-D611 PolarHBondContact O-N 3.24Å
612	T	33.9	Very low	50.4	Low	97 Å²	97	104.6 Å²	104.6	60%	0.595	56%	0.558	S	S	*	*	H	α-helix	trans	-77.1	-32.4	-174.3	13.7	0	0	0	0	114.1	E608 D609 G614	E608-T612 PolarHBondContact O-OG1 3.43Å; D609-T612 PolarHBondContact O-OG1 3Å; T612-G614 PolarHBondContact O-N 2.81Å; T612-G614 VanDerWaalsContact O-N 3.14Å
613	D	34	Very low	47.6	Very low	140 Å²	140	113.6 Å²	113.6	75%	0.749	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-6.8	-179.4	-85.8	-14.4	0	0	0	113.8
614	G	33.2	Very low	44.7	Very low	41 Å²	41	117 Å²	117	42%	0.423	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.3	-20.7	178.3	0	0	0	0	0	115.1	T612 I616	T612-G614 PolarHBondContact O-N 2.81Å; T612-G614 VanDerWaalsContact O-N 3.14Å; G614-I616 PolarHBondContact O-N 2.98Å
615	I	27.8	Very low	42.3	Very low	144 Å²	144	122.4 Å²	122.4	74%	0.738	64%	0.635	S	S	*	*			trans	-99.7	68.3	-171.1	-47.8	-179	0	0	0	110.8	T617	I615-T617 PolarHBondContact O-N 3.07Å; I615-T617 VanDerWaalsContact O-N 3.16Å
616	I	26.7	Very low	40.1	Very low	139 Å²	139	121.6 Å²	121.6	71%	0.713	64%	0.64	S	S	*	*			trans	-72.3	110.2	176.3	-60.6	-179.7	0	0	0	110	G614	G614-I616 PolarHBondContact O-N 2.98Å
617	T	29.2	Very low	38.1	Very low	108 Å²	108	126.5 Å²	126.5	66%	0.663	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-59.9	142.2	173.9	47.9	0	0	0	0	112	I615 R619	I615-T617 PolarHBondContact O-N 3.07Å; I615-T617 VanDerWaalsContact O-N 3.16Å; T617-R619 PolarHBondContact O-N 2.64Å
618	Q	25.3	Very low	36.4	Very low	190 Å²	190	137.1 Å²	137.1	89%	0.888	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-65.8	117.6	170.3	-62.3	-178.6	34.9	0	0	108.9
619	R	28.7	Very low	35.3	Very low	206 Å²	206	136.8 Å²	136.8	78%	0.777	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-90.6	117.4	167.2	-77.1	-166	-179.8	-174.9	1	110.6	T617 D621	T617-R619 PolarHBondContact O-N 2.64Å; R619-D621 VanDerWaalsContact C-N 3.29Å; R619-D621 WeakPolarHBondContact CD-OD2 3.31Å; R619-D621 PolarHBondContact O-N 3.41Å
620	E	26.5	Very low	34.3	Very low	194 Å²	194	141.5 Å²	141.5	91%	0.907	73%	0.732	S	S	*	*			trans	-81.3	74.2	164.2	-64.3	-171.1	130.1	0	0	110
621	D	34.2	Very low	33.5	Very low	133 Å²	133	154.3 Å²	154.3	71%	0.711	78%	0.778	S	S	*	*			trans	-103.4	101.8	169	-73.4	-50.8	0	0	0	108.7	R619	R619-D621 VanDerWaalsContact C-N 3.29Å; R619-D621 WeakPolarHBondContact CD-OD2 3.31Å; R619-D621 PolarHBondContact O-N 3.41Å
622	G	30.6	Very low	32.9	Very low	77 Å²	77	158.7 Å²	158.7	79%	0.794	80%	0.798	S	S	*	*			trans	-108.4	131.4	-179.2	0	0	0	0	0	112.7
623	E	34.7	Very low	32.9	Very low	205 Å²	205	161.9 Å²	161.9	96%	0.958	81%	0.809	S	S	*	*			trans	-140.7	146.7	168.9	-119.1	177.3	-160.9	0	0	111.2
624	E	29.4	Very low	32.8	Very low	185 Å²	185	163.1 Å²	163.1	86%	0.864	81%	0.812	S	S	*	*			trans	-85.4	132.3	-169.3	-59.8	-177.6	108	0	0	113.1
625	L	33.6	Very low	32.8	Very low	178 Å²	178	170.3 Å²	170.3	93%	0.932	84%	0.835	S	S	*	*			trans	-133.1	130.5	155.7	-75.9	178.6	0	0	0	111.5
626	T	35.7	Very low	33.1	Very low	123 Å²	123	171.9 Å²	171.9	76%	0.755	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-79.1	151.6	-161.7	51.8	0	0	0	0	114.9
627	P	35.8	Very low	33.6	Very low	125 Å²	125	174.1 Å²	174.1	81%	0.812	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-79.3	135.4	-175.1	31.9	-35.7	0	0	0	113.7
628	Y	39.5	Very low	33.9	Very low	237 Å²	237	178.9 Å²	178.9	93%	0.929	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-84.9	132.6	167.2	-113.5	-89.2	0	0	0	111.8
629	S	43.6	Very low	34.5	Very low	94 Å²	94	178 Å²	178	66%	0.657	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-94.7	129.3	-172.9	177.4	0	0	0	0	113
630	R	38	Very low	35	Very low	230 Å²	230	175.7 Å²	175.7	87%	0.868	87%	0.868	S	S	*	*			trans	45.3	112.5	151.3	-62	177.3	-180	-175.4	0.3	118.6
631	R	38.4	Very low	35.8	Very low	327 Å²	327	174 Å²	174	100%	1.234	87%	0.865	S	S	*	*				-133.1	0	109.6	-95.8	-170.6	177.8	-174.4	-0.6	109.9

Retrieved 631 of 631 residues in 498.8 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).