A0A087Y3H6_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

Catalyzes the initial reaction in O-linked oligosaccharide biosynthesis, the transfer of an N-acetyl-D-galactosamine residue to a serine or threonine residue on the protein receptor. Has activity toward Muc5Ac and EA2 peptide substrates.

AlphaFold DB , UniProt , Accession A0A087Y3H6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 605 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	52.7	Low	63.6	Low	177 Å²	177	160 Å²	160	87%	0.872	70%	0.7	S	S	*	*				0	126.9	0	-76.3	-174.5	-62	0	0	110.3	E5	M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 VanDerWaalsContact CB-OE2 3.32Å; M1-E5 WeakPolarHBondContact CB-OE2 3.45Å
2	R	66	Low	64.2	Low	209 Å²	209	150.7 Å²	150.7	79%	0.789	67%	0.674	S	S	*	*			trans	-77.5	149.9	-174.8	-71.4	174.7	174.3	175.4	-2	109.8	K4 E5	R2-K4 PolarHBondContact O-N 3.38Å; R2-E5 PolarHBondContact N-OE2 3.07Å; R2-E5 PolarHBondContact O-N 2.92Å
3	R	56.3	Low	64.4	Low	230 Å²	230	142.2 Å²	142.2	87%	0.868	66%	0.655	S	S	*	*	H	α-helix	trans	-48.6	-22.6	-174.8	-121	175.2	179.7	176	-0.5	115.5
4	K	59.7	Low	64.3	Low	184 Å²	184	141.1 Å²	141.1	80%	0.8	66%	0.655	S	S	*	*	H	α-helix	trans	-76.2	-33.7	175.5	-72.8	-174.2	174.6	-176.5	0	113.6	R2 R7 L8	R2-K4 PolarHBondContact O-N 3.38Å; K4-R7 PolarHBondContact O-N 3.3Å; K4-L8 PolarHBondContact O-N 2.91Å
5	E	61.7	Low	64.1	Low	96 Å²	96	138.6 Å²	138.6	45%	0.449	65%	0.648	S	S	.	*	H	α-helix	trans	-71.2	-35.8	179.3	-68.5	164.6	162	0	0	111.7	M1 R2 R7 L8 L9	M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 VanDerWaalsContact CB-OE2 3.32Å; M1-E5 WeakPolarHBondContact CB-OE2 3.45Å; R2-E5 PolarHBondContact N-OE2 3.07Å; R2-E5 PolarHBondContact O-N 2.92Å; E5-R7 VanDerWaalsContact C-N 3.35Å; E5-R7 PolarHBondContact O-N 3.25Å; E5-L8 PolarHBondContact O-N 3.29Å; E5-L9 PolarHBondContact O-N 3.06Å
6	K	64.2	Low	64.1	Low	137 Å²	137	136.4 Å²	136.4	60%	0.596	64%	0.641	S	S	*	*	H	α-helix	trans	-63.9	-36.3	174.3	-89.8	-173.5	172.4	-175.9	0	113	Q10	K6-Q10 WeakPolarHBondContact O-CB 3.45Å; K6-Q10 WeakPolarHBondContact O-CG 3.15Å; K6-Q10 PolarHBondContact O-N 3.22Å
7	R	67.2	Low	63.6	Low	190 Å²	190	130.9 Å²	130.9	72%	0.717	62%	0.624	S	S	*	*	H	α-helix	trans	-72.6	-35.7	177.6	-75.6	-173.7	176.5	-176.3	-1.5	112.1	K4 E5 Q10 F11	K4-R7 PolarHBondContact O-N 3.3Å; E5-R7 VanDerWaalsContact C-N 3.35Å; E5-R7 PolarHBondContact O-N 3.25Å; R7-Q10 PolarHBondContact O-N 3.4Å; R7-F11 PolarHBondContact O-N 3.47Å
8	L	69.1	Low	63.2	Low	138 Å²	138	127 Å²	127	72%	0.723	62%	0.617	S	S	*	*	H	α-helix	trans	-66.4	-42.1	175.9	-135.7	95.8	0	0	0	111.5	K4 E5 F11 A12	K4-L8 PolarHBondContact O-N 2.91Å; E5-L8 PolarHBondContact O-N 3.29Å; L8-F11 PolarHBondContact O-N 3.19Å; L8-A12 WeakPolarHBondContact O-CB 3.42Å; L8-A12 PolarHBondContact O-N 3.24Å
9	L	67.9	Low	62.9	Low	112 Å²	112	127.7 Å²	127.7	59%	0.586	62%	0.623	S	S	*	*	H	α-helix	trans	-67.4	-35.9	175.9	-84.3	154.7	0	0	0	112.9	E5 G13	E5-L9 PolarHBondContact O-N 3.06Å; L9-G13 PolarHBondContact O-N 2.97Å
10	Q	66.1	Low	62.5	Low	136 Å²	136	127.8 Å²	127.8	64%	0.636	63%	0.626	S	S	*	*	H	α-helix	trans	-68.2	-37.6	173.8	-79.1	177.5	-31.2	0	0	112.6	K6 R7 L14	K6-Q10 WeakPolarHBondContact O-CB 3.45Å; K6-Q10 WeakPolarHBondContact O-CG 3.15Å; K6-Q10 PolarHBondContact O-N 3.22Å; R7-Q10 PolarHBondContact O-N 3.4Å; Q10-L14 PolarHBondContact O-N 3.46Å
11	F	68.9	Low	61.7	Low	151 Å²	151	130.1 Å²	130.1	66%	0.662	63%	0.633	S	S	*	*	H	α-helix	trans	-70.3	-40.9	176.3	-128.6	-91	0	0	0	112	R7 L8 L14 L15	R7-F11 PolarHBondContact O-N 3.47Å; L8-F11 PolarHBondContact O-N 3.19Å; F11-L14 PolarHBondContact O-N 3.01Å; F11-L15 HydrophobicContact CD1-CD1 4.36Å; F11-L15 PolarHBondContact O-N 3.31Å
12	A	70.1	Confident	61.1	Low	48 Å²	48	128.7 Å²	128.7	40%	0.397	63%	0.628	S	S	.	*	H	α-helix	trans	-64.4	-39.2	175	0	0	0	0	0	112	L8 L15 I16	L8-A12 WeakPolarHBondContact O-CB 3.42Å; L8-A12 PolarHBondContact O-N 3.24Å; A12-L15 PolarHBondContact O-N 3.12Å; A12-I16 VanDerWaalsContact O-CG1 3.31Å; A12-I16 WeakPolarHBondContact O-CG1 3.38Å; A12-I16 PolarHBondContact O-N 2.95Å; A12-I16 VanDerWaalsContact O-N 3.12Å
13	G	66.9	Low	59.7	Low	41 Å²	41	124.4 Å²	124.4	42%	0.423	63%	0.628	S	S	.	*	H	α-helix	trans	-63.9	-38.3	175.8	0	0	0	0	0	113.7	L9 A17	L9-G13 PolarHBondContact O-N 2.97Å; G13-A17 WeakPolarHBondContact O-CB 3.19Å; G13-A17 PolarHBondContact O-N 2.95Å; G13-A17 VanDerWaalsContact O-N 3.08Å
14	L	63.4	Low	58.8	Low	126 Å²	126	121.3 Å²	121.3	66%	0.66	63%	0.628	S	S	*	*	H	α-helix	trans	-69.7	-36	177.1	-82.7	162	0	0	0	112.8	Q10 F11 A18	Q10-L14 PolarHBondContact O-N 3.46Å; F11-L14 PolarHBondContact O-N 3.01Å; L14-A18 PolarHBondContact O-N 2.78Å; L14-A18 VanDerWaalsContact O-N 3.1Å
15	L	60.8	Low	57.6	Low	104 Å²	104	119.3 Å²	119.3	55%	0.545	63%	0.631	S	S	.	*	H	α-helix	trans	-70.3	-36.8	177.1	-115	135	0	0	0	112.4	F11 A12 L19	F11-L15 HydrophobicContact CD1-CD1 4.36Å; F11-L15 PolarHBondContact O-N 3.31Å; A12-L15 PolarHBondContact O-N 3.12Å; L15-L19 PolarHBondContact O-N 2.77Å
16	I	65.4	Low	56	Low	103 Å²	103	117.8 Å²	117.8	53%	0.528	64%	0.641	S	S	.	*	H	α-helix	trans	-71.6	-36.8	176.3	-66.8	169.6	0	0	0	110.9	A12 L19 L20	A12-I16 VanDerWaalsContact O-CG1 3.31Å; A12-I16 WeakPolarHBondContact O-CG1 3.38Å; A12-I16 PolarHBondContact O-N 2.95Å; A12-I16 VanDerWaalsContact O-N 3.12Å; I16-L19 PolarHBondContact O-N 3.08Å; I16-L20 HydrophobicContact CG2-CD1 3.81Å; I16-L20 WeakPolarHBondContact O-CG 3.29Å; I16-L20 PolarHBondContact O-N 3.1Å
17	A	54	Low	54.2	Low	43 Å²	43	118.9 Å²	118.9	36%	0.355	65%	0.653	S	S	.	*	H	α-helix	trans	-66.5	-36.7	174.5	0	0	0	0	0	112.8	G13 L19 L20 F21	G13-A17 WeakPolarHBondContact O-CB 3.19Å; G13-A17 PolarHBondContact O-N 2.95Å; G13-A17 VanDerWaalsContact O-N 3.08Å; A17-L19 VanDerWaalsContact C-N 3.31Å; A17-L19 PolarHBondContact O-N 2.74Å; A17-L20 PolarHBondContact O-N 3.22Å; A17-F21 WeakPolarHBondContact O-CD2 3.44Å; A17-F21 PolarHBondContact O-N 2.66Å
18	A	57.6	Low	52.2	Low	61 Å²	61	121 Å²	121	50%	0.504	66%	0.661	S	S	.	*	H	α-helix	trans	-67.9	-29.3	177.1	0	0	0	0	0	113.3	L14	L14-A18 PolarHBondContact O-N 2.78Å; L14-A18 VanDerWaalsContact O-N 3.1Å
19	L	57.1	Low	50.1	Low	141 Å²	141	118.7 Å²	118.7	74%	0.738	66%	0.656	S	S	*	*	H	α-helix	trans	-82.2	-21.1	176.6	-75.3	164.8	0	0	0	113.3	L15 I16 A17	L15-L19 PolarHBondContact O-N 2.77Å; I16-L19 PolarHBondContact O-N 3.08Å; A17-L19 VanDerWaalsContact C-N 3.31Å; A17-L19 PolarHBondContact O-N 2.74Å
20	L	54.3	Low	48.1	Very low	129 Å²	129	120 Å²	120	68%	0.675	66%	0.663	S	S	*	*	H	α-helix	trans	-91.6	-15.6	-178.9	-73.8	169.3	0	0	0	114.3	I16 A17	I16-L20 HydrophobicContact CG2-CD1 3.81Å; I16-L20 WeakPolarHBondContact O-CG 3.29Å; I16-L20 PolarHBondContact O-N 3.1Å; A17-L20 PolarHBondContact O-N 3.22Å
21	F	45.4	Very low	46.3	Very low	177 Å²	177	123.8 Å²	123.8	78%	0.776	67%	0.673	S	S	*	*	S	Bend	trans	-118.1	14.3	-173	-77.1	-75.8	0	0	0	115.9	A17	A17-F21 WeakPolarHBondContact O-CD2 3.44Å; A17-F21 PolarHBondContact O-N 2.66Å
22	L	41.5	Very low	44.3	Very low	146 Å²	146	126.3 Å²	126.3	76%	0.764	68%	0.678	S	S	*	*	S	Bend	trans	-97.8	119.3	166.8	-77.1	167.7	0	0	0	110.2
23	P	36.9	Very low	42.4	Very low	120 Å²	120	129.1 Å²	129.1	78%	0.779	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-75.2	132.4	-176.1	21.4	-20.8	0	0	0	112.7
24	N	37.6	Very low	40.5	Very low	165 Å²	165	139 Å²	139	88%	0.882	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-64.2	119.8	164.4	-97.7	-30.2	0	0	0	111.7
25	V	34	Very low	38.8	Very low	141 Å²	141	138.5 Å²	138.5	86%	0.855	71%	0.713	S	S	*	*			trans	-152.8	103.5	147.4	-162	0	0	0	0	105.4
26	G	28.5	Very low	37.2	Very low	64 Å²	64	143.3 Å²	143.3	66%	0.66	73%	0.73	S	S	*	*				60.1	124.7	84.2	0	0	0	0	0	111.2
27	L	26.2	Very low	35.3	Very low	161 Å²	161	145 Å²	145	84%	0.843	74%	0.74	S	S	*	*			cis	-169.6	161.6	23.1	-114	126	0	0	0	107.8
28	W	25.1	Very low	34.1	Very low	235 Å²	235	148.8 Å²	148.8	89%	0.89	75%	0.754	S	S	*	*			trans	13.8	137.8	146.1	-87.3	53.1	0	0	0	121.7
29	S	24.5	Very low	32.5	Very low	89 Å²	89	151.5 Å²	151.5	62%	0.622	77%	0.77	S	S	*	*			trans	103.1	122.9	132.2	-166.5	0	0	0	0	119.3
30	L	26.7	Very low	31.6	Very low	140 Å²	140	150 Å²	150	73%	0.733	77%	0.768	S	S	*	*			trans	76.7	117.3	153.4	-64.7	155.3	0	0	0	118.9
31	Y	27.6	Very low	30.3	Very low	215 Å²	215	150.9 Å²	150.9	84%	0.843	77%	0.774	S	S	*	*				-166.5	113.5	92.4	-117	-92.9	0	0	0	112.2
32	R	27.2	Very low	29.4	Very low	203 Å²	203	148.2 Å²	148.2	77%	0.766	77%	0.772	S	S	*	*			trans	-91.8	150.1	152.7	-153.5	178.6	92.6	173.7	5.9	106.4
33	D	29.6	Very low	28.8	Very low	107 Å²	107	146.8 Å²	146.8	57%	0.572	77%	0.769	S	S	*	*			trans	73.5	113.4	161.1	-56.8	-30.8	0	0	0	119
34	R	27.3	Very low	28.4	Very low	250 Å²	250	148.7 Å²	148.7	94%	0.943	77%	0.773	S	S	*	*			trans	-109.4	97.6	148.3	-93.5	-171.5	-179.5	176.5	1	107.6
35	V	27.4	Very low	27.9	Very low	114 Å²	114	144.3 Å²	144.3	69%	0.691	77%	0.767	S	S	*	*			trans	-150.5	115.9	156.8	174.2	0	0	0	0	108.2
36	F	27	Very low	28.2	Very low	205 Å²	205	144.2 Å²	144.2	90%	0.899	77%	0.768	S	S	*	*			trans	64.2	126.2	163.5	-61.2	-60.3	0	0	0	122.2
37	D	26.3	Very low	28.1	Very low	139 Å²	139	144.9 Å²	144.9	74%	0.743	78%	0.776	S	S	*	*			trans	-130.6	144	159.9	-148.1	46.1	0	0	0	103.6
38	N	28.2	Very low	28	Very low	123 Å²	123	140.7 Å²	140.7	66%	0.658	77%	0.771	S	S	*	*			cis	-170.9	154.5	-0.1	-130.4	-20.6	0	0	0	106.9
39	S	24.6	Very low	28.6	Very low	118 Å²	118	137.6 Å²	137.6	83%	0.825	77%	0.77	S	S	*	*			trans	-171.6	130.2	140	-79.8	0	0	0	0	110.5
40	P	38.5	Very low	28.8	Very low	109 Å²	109	139 Å²	139	71%	0.708	78%	0.777	S	S	*	*			trans	-104.6	161.7	-173.2	39.5	-31.8	0	0	0	113.2
41	D	26.5	Very low	28.8	Very low	148 Å²	148	136.1 Å²	136.1	79%	0.791	77%	0.774	S	S	*	*			trans	-169.1	123	140.4	-92.3	-24.8	0	0	0	111.5
42	T	25.7	Very low	29.3	Very low	121 Å²	121	134.5 Å²	134.5	74%	0.742	78%	0.778	S	S	*	*			trans	38.4	147.5	137.9	61.2	0	0	0	0	121.5
43	V	28.5	Very low	29.3	Very low	116 Å²	116	133.6 Å²	133.6	70%	0.703	78%	0.782	S	S	*	*			cis	-177.4	156.9	7.1	138.5	0	0	0	0	107.2
44	D	29.3	Very low	29.2	Very low	160 Å²	160	131.5 Å²	131.5	86%	0.856	79%	0.786	S	S	*	*			trans	70.6	123.1	157.7	-68.5	-19.1	0	0	0	125.4
45	G	27.2	Very low	29.3	Very low	73 Å²	73	126.7 Å²	126.7	75%	0.753	78%	0.784	S	S	*	*				114.2	144.3	122	0	0	0	0	0	118.8
46	P	40.8	Very low	29.2	Very low	138 Å²	138	128 Å²	128	90%	0.896	79%	0.787	S	S	*	*			trans	-113.9	161.7	-140.2	38.8	-27.5	0	0	0	115.4
47	G	25.2	Very low	29.8	Very low	79 Å²	79	130.2 Å²	130.2	81%	0.814	79%	0.79	S	S	*	*			trans	147.3	125.6	151.5	0	0	0	0	0	116.8
48	G	25.7	Very low	30.3	Very low	72 Å²	72	130.1 Å²	130.1	74%	0.742	79%	0.794	S	S	*	*			trans	98.5	101.3	145.1	0	0	0	0	0	116.9	P50	G48-P50 WeakPolarHBondContact O-CD 3.06Å
49	I	36.1	Very low	30.7	Very low	170 Å²	170	126.6 Å²	126.6	87%	0.872	79%	0.786	S	S	*	*			trans	-69.3	134.9	149.7	-63.2	170.9	0	0	0	107.4
50	P	30.1	Very low	31.7	Very low	119 Å²	119	131.5 Å²	131.5	77%	0.773	79%	0.793	S	S	*	*			trans	-128.8	128	138	17	3	0	0	0	113.3	G48	G48-P50 WeakPolarHBondContact O-CD 3.06Å
51	A	25.4	Very low	32.3	Very low	80 Å²	80	132.5 Å²	132.5	66%	0.661	79%	0.792	S	S	*	*			trans	5.2	129.4	144.9	0	0	0	0	0	118.8	Q53	A51-Q53 PolarHBondContact O-N 3.26Å; A51-Q53 VanDerWaalsContact O-N 3.08Å
52	I	38.3	Very low	33.8	Very low	180 Å²	180	126.3 Å²	126.3	92%	0.923	76%	0.762	S	S	*	*			trans	-46.5	108	156.4	-62.7	166.2	0	0	0	109.3
53	Q	26.9	Very low	35.9	Very low	184 Å²	184	129.2 Å²	129.2	86%	0.86	76%	0.759	S	S	*	*			trans	-106.2	136.6	164.1	-88.8	-173.8	-8.3	0	0	110.1	A51	A51-Q53 PolarHBondContact O-N 3.26Å; A51-Q53 VanDerWaalsContact O-N 3.08Å
54	G	27.9	Very low	37.8	Very low	64 Å²	64	128.5 Å²	128.5	66%	0.66	76%	0.755	S	S	*	*			trans	-50.8	138.6	-170	0	0	0	0	0	114	N56	G54-N56 VanDerWaalsContact C-N 3.32Å; G54-N56 PolarHBondContact O-N 2.89Å
55	V	28.9	Very low	39.8	Very low	148 Å²	148	122 Å²	122	90%	0.897	73%	0.725	S	S	*	*			trans	-62	100.4	162.3	-179.8	0	0	0	0	106.9	R57	V55-R57 PolarHBondContact O-N 2.68Å
56	N	26	Very low	41.7	Very low	141 Å²	141	131.3 Å²	131.3	75%	0.754	74%	0.737	S	S	*	*			trans	-50.4	130.3	167.6	-87	-34.2	0	0	0	109.2	G54 V58	G54-N56 VanDerWaalsContact C-N 3.32Å; G54-N56 PolarHBondContact O-N 2.89Å; N56-V58 PolarHBondContact O-N 2.58Å
57	R	40.7	Very low	43.4	Very low	252 Å²	252	129 Å²	129	95%	0.951	72%	0.717	S	S	*	*			trans	-51.6	100.5	165.7	-75.9	175.5	170.6	175.3	-2.6	108.7	V55	V55-R57 PolarHBondContact O-N 2.68Å
58	V	35.2	Very low	46.1	Very low	138 Å²	138	127.8 Å²	127.8	84%	0.836	71%	0.706	S	S	*	*			trans	-77.8	123.3	164.9	-179.1	0	0	0	0	106.8	N56	N56-V58 PolarHBondContact O-N 2.58Å
59	G	37	Very low	49	Very low	48 Å²	48	127 Å²	127	50%	0.495	69%	0.686	S	S	.	*			trans	-56.9	156.4	-165.7	0	0	0	0	0	115.7	D61	G59-D61 PolarHBondContact O-N 3.49Å
60	K	46.3	Very low	51.7	Low	221 Å²	221	125.1 Å²	125.1	96%	0.961	67%	0.668	S	S	*	*			trans	-64.2	36.3	165.6	-74.3	176.8	166	179	0	112.4	A62	K60-A62 PolarHBondContact O-N 2.81Å
61	D	51.1	Low	54.7	Low	131 Å²	131	123.3 Å²	123.3	70%	0.701	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-84.6	118.5	-171.1	-71.5	-32	0	0	0	110.7	G59 R63	G59-D61 PolarHBondContact O-N 3.49Å; D61-R63 PolarHBondContact O-N 2.79Å
62	A	58	Low	58	Low	18 Å²	18	123 Å²	123	15%	0.149	63%	0.63	C	S	.	*	P	Polyproline II helix	trans	-58.2	122.7	174.5	0	0	0	0	0	109.8	K60 R70 R71	K60-A62 PolarHBondContact O-N 2.81Å; A62-R70 HydrophobicContact CB-CB 4.1Å; A62-R71 CarbonylContact C-O 3.53Å; A62-R71 WeakPolarHBondContact CA-O 3.09Å
63	R	68.8	Low	60.8	Low	182 Å²	182	117.2 Å²	117.2	69%	0.687	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.4	124.9	179.1	-63	-175.6	-176	-172	0.5	108.5	D61 G65 R71	D61-R63 PolarHBondContact O-N 2.79Å; R63-G65 PolarHBondContact O-N 3.32Å; R63-R71 PolarHBondContact N-O 3.05Å; R63-R71 PolarHBondContact O-N 2.95Å
64	V	70.1	Confident	64.2	Low	101 Å²	101	109.5 Å²	109.5	61%	0.612	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.1	115	173.1	-175.2	0	0	0	0	107.6	R70	V64-R70 HydrophobicContact CG2-CG 4.23Å
65	G	69.4	Low	67.5	Low	22 Å²	22	107.1 Å²	107.1	23%	0.227	54%	0.535	C	S	.	.			trans	-68.4	166.3	173.8	0	0	0	0	0	111.9	R63 D67 G68 V69	R63-G65 PolarHBondContact O-N 3.32Å; G65-D67 WeakPolarHBondContact CA-OD1 3.34Å; G65-D67 PolarHBondContact O-N 3.45Å; G65-D67 VanDerWaalsContact O-N 3.17Å; G65-G68 PolarHBondContact O-N 3.04Å; G65-V69 PolarHBondContact N-O 2.95Å
66	R	67.9	Low	70.8	Confident	269 Å²	269	104 Å²	104	100%	1.015	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-19	174.9	-67.8	-176.4	-179.9	179.5	-0.3	113.1	G68	R66-G68 VanDerWaalsContact C-N 3.27Å
67	D	76.3	Confident	74.3	Confident	89 Å²	89	102.9 Å²	102.9	48%	0.476	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-1.1	173.5	52.5	7.5	0	0	0	113.2	G65 V69 R71	G65-D67 WeakPolarHBondContact CA-OD1 3.34Å; G65-D67 PolarHBondContact O-N 3.45Å; G65-D67 VanDerWaalsContact O-N 3.17Å; D67-V69 HydrophobicContact CB-CG2 4.25Å; D67-V69 PolarHBondContact O-N 3.14Å; D67-V69 WeakPolarHBondContact OD1-CB 3.44Å; D67-V69 PolarHBondContact OD1-N 3.46Å; D67-R71 IonicContact OD2-CZ 3.96Å; D67-R71 IonicContact OD2-NH2 3.26Å; D67-R71 PolarHBondContact OD2-NH2 2.75Å
68	G	81.4	Confident	77	Confident	55 Å²	55	95.8 Å²	95.8	57%	0.567	48%	0.477	S	S	*	.	S	Bend	trans	76.3	1.3	-174.5	0	0	0	0	0	113.9	G65 R66	G65-G68 PolarHBondContact O-N 3.04Å; R66-G68 VanDerWaalsContact C-N 3.27Å
69	V	86.9	Confident	79.9	Confident	55 Å²	55	90.1 Å²	90.1	33%	0.333	44%	0.443	S	S	.	.			trans	-83.9	125.3	-179.5	-178.1	0	0	0	0	109.3	G65 D67 R71	G65-V69 PolarHBondContact N-O 2.95Å; D67-V69 HydrophobicContact CB-CG2 4.25Å; D67-V69 PolarHBondContact O-N 3.14Å; D67-V69 WeakPolarHBondContact OD1-CB 3.44Å; D67-V69 PolarHBondContact OD1-N 3.46Å; V69-R71 PolarHBondContact O-N 2.91Å
70	R	92.6	Very high	82.8	Confident	130 Å²	130	90.5 Å²	90.5	49%	0.491	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	126.7	171	-65.1	-169.2	87.1	-173.3	6.9	109.3	A62 V64 E142	A62-R70 HydrophobicContact CB-CB 4.1Å; V64-R70 HydrophobicContact CG2-CG 4.23Å; R70-E142 HydrophobicContact CB-CB 4.29Å; R70-E142 WeakPolarHBondContact CB-OE2 3.39Å; R70-E142 IonicContact NE-OE2 3.6Å; R70-E142 IonicContact NH1-OE2 2.83Å; R70-E142 WeakPolarHBondContact O-CB 2.89Å; R70-E142 PolarHBondContact O-N 3Å
71	R	93.9	Very high	85.3	Confident	82 Å²	82	86.8 Å²	86.8	31%	0.309	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.2	179.5	-60.5	-173.2	-178.3	-143.4	1.2	111.4	A62 R63 D67 V69 L139 Y140	A62-R71 CarbonylContact C-O 3.53Å; A62-R71 WeakPolarHBondContact CA-O 3.09Å; R63-R71 PolarHBondContact N-O 3.05Å; R63-R71 PolarHBondContact O-N 2.95Å; D67-R71 IonicContact OD2-CZ 3.96Å; D67-R71 IonicContact OD2-NH2 3.26Å; D67-R71 PolarHBondContact OD2-NH2 2.75Å; V69-R71 PolarHBondContact O-N 2.91Å; R71-L139 HydrophobicContact CB-CB 3.94Å; R71-Y140 CarbonylContact C-O 3.51Å; R71-Y140 WeakPolarHBondContact CA-O 3.16Å; R71-Y140 WeakPolarHBondContact CB-O 3.47Å
72	K	94.3	Very high	87.5	Confident	73 Å²	73	88.3 Å²	88.3	32%	0.317	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.6	-177.7	176	-176	169.6	-164.2	0	109.9	W74 Y140 E142 E175	K72-W74 HydrophobicContact CD-CD2 4.32Å; K72-W74 HydrophobicContact CD-CZ2 4.23Å; K72-Y140 PolarHBondContact N-O 3.47Å; K72-Y140 PolarHBondContact O-N 3.17Å; K72-E142 HydrophobicContact CB-CB 4.25Å; K72-E142 HydrophobicContact CB-CG 4.45Å; K72-E175 IonicContact NZ-OE1 3.71Å
73	D	97.4	Very high	89.4	Confident	58 Å²	58	88.6 Å²	88.6	31%	0.31	41%	0.408	S	S	.	.			trans	-80	115.8	164.5	-170.9	-3.6	0	0	0	109.2	H75 Y77 L139	D73-H75 WeakPolarHBondContact OD1-CB 3.37Å; D73-H75 IonicContact OD1-CE1 2.84Å; D73-H75 IonicContact OD1-CG 2.75Å; D73-H75 PolarHBondContact OD1-N 3.5Å; D73-H75 IonicContact OD1-ND1 3.97Å; D73-H75 PolarHBondContact OD1-ND1 2.6Å; D73-Y77 VanDerWaalsContact OD2-CE2 3.25Å; D73-Y77 WeakPolarHBondContact OD2-CE2 3.24Å; D73-Y77 PolarHBondContact OD2-OH 2.88Å; D73-L139 HydrophobicContact CB-CD2 3.58Å
74	W	98	Very high	90.8	Very high	22 Å²	22	83.1 Å²	83.1	8%	0.083	40%	0.402	C	S	.	.			trans	-93.8	2.5	-178.9	-71.5	89.9	0	0	0	113.4	K72 D76 S141 E142 L144 P173 E175 L176 P248	K72-W74 HydrophobicContact CD-CD2 4.32Å; K72-W74 HydrophobicContact CD-CZ2 4.23Å; W74-D76 PolarHBondContact O-N 2.8Å; W74-S141 PolarHBondContact NE1-O 2.75Å; W74-E142 WeakPolarHBondContact CZ2-O 3.48Å; W74-L144 HydrophobicContact CZ2-CD1 3.81Å; W74-L144 HydrophobicContact CZ2-CG 4.27Å; W74-P173 HydrophobicContact CE3-CB 3.9Å; W74-P173 HydrophobicContact CE3-CG 3.59Å; W74-P173 HydrophobicContact CZ3-CB 3.69Å; W74-P173 HydrophobicContact CZ3-CG 3.89Å; W74-E175 HydrophobicContact CH2-CG 4.24Å; W74-E175 HydrophobicContact CZ3-CG 4.13Å; W74-E175 VanDerWaalsContact CZ3-OE1 3.27Å; W74-E175 WeakPolarHBondContact CZ3-OE1 3.44Å; W74-L176 HydrophobicContact CE3-CD1 4.4Å; W74-L176 HydrophobicContact CH2-CD1 4.22Å; W74-L176 HydrophobicContact CH2-CD2 4.09Å; W74-L176 HydrophobicContact CH2-CG 4.24Å; W74-L176 HydrophobicContact CZ3-CD1 4.04Å; W74-L176 HydrophobicContact CZ3-CG 4.2Å; W74-P248 HydrophobicContact CB-CB 3.96Å; W74-P248 HydrophobicContact CB-CG 3.74Å; W74-P248 HydrophobicContact CD2-CB 4.35Å; W74-P248 HydrophobicContact CD2-CG 4.17Å; W74-P248 HydrophobicContact CE3-CG 4.33Å; W74-P248 HydrophobicContact CG-CB 3.91Å; W74-P248 HydrophobicContact CG-CG 3.96Å
75	H	98.3	Very high	92.1	Very high	14 Å²	14	82.3 Å²	82.3	7%	0.065	41%	0.405	C	S	.	.			trans	-68.4	122.8	174.9	-66.8	90.8	0	0	0	111.4	D73 Y77 I80 R131 C135 N245	D73-H75 WeakPolarHBondContact OD1-CB 3.37Å; D73-H75 IonicContact OD1-CE1 2.84Å; D73-H75 IonicContact OD1-CG 2.75Å; D73-H75 PolarHBondContact OD1-N 3.5Å; D73-H75 IonicContact OD1-ND1 3.97Å; D73-H75 PolarHBondContact OD1-ND1 2.6Å; H75-Y77 HydrophobicContact CB-CD2 4.32Å; H75-Y77 HydrophobicContact CB-CE1 4.08Å; H75-Y77 HydrophobicContact CB-CE2 3.83Å; H75-Y77 WeakPolarHBondContact O-CD2 3.15Å; H75-Y77 PolarHBondContact O-N 2.81Å; H75-I80 HydrophobicContact CB-CD1 4.26Å; H75-R131 PolarHBondContact NE2-NH1 3.35Å; H75-R131 PolarHBondContact NE2-NH2 3.17Å; H75-C135 PolarHBondContact CE1-O 3.38Å; H75-C135 VanDerWaalsContact CE1-O 3.31Å; H75-N245 PolarHBondContact CD2-ND2 2.76Å; H75-N245 PolarHBondContact CE1-ND2 2.85Å; H75-N245 PolarHBondContact ND1-ND2 2.84Å; H75-N245 PolarHBondContact NE2-ND2 3.45Å; H75-N245 VanDerWaalsContact NE2-ND2 3.13Å
76	D	97.9	Very high	93.5	Very high	83 Å²	83	85.3 Å²	85.3	44%	0.444	41%	0.41	S	S	.	.			trans	-84.4	87.3	168.2	-177.3	-7.8	0	0	0	110.1	W74 E78 T79 I80	W74-D76 PolarHBondContact O-N 2.8Å; D76-E78 PolarHBondContact O-N 2.76Å; D76-E78 PolarHBondContact OD1-N 3.03Å; D76-E78 VanDerWaalsContact OD1-N 3.15Å; D76-T79 VanDerWaalsContact CG-CB 3.46Å; D76-T79 VanDerWaalsContact CG-OG1 3.25Å; D76-T79 PolarHBondContact O-N 3.18Å; D76-T79 PolarHBondContact OD1-N 2.9Å; D76-T79 VanDerWaalsContact OD2-CB 3.23Å; D76-T79 WeakPolarHBondContact OD2-CB 3.5Å; D76-T79 PolarHBondContact OD2-OG1 3.08Å; D76-I80 VanDerWaalsContact O-CG1 3.24Å; D76-I80 WeakPolarHBondContact O-CG1 3.44Å; D76-I80 PolarHBondContact O-N 2.93Å
77	Y	97.9	Very high	94.9	Very high	118 Å²	118	77.8 Å²	77.8	46%	0.463	40%	0.398	S	S	.	.	H	α-helix	trans	-63.2	-25	-179	-65.2	-75.1	0	0	0	114.1	D73 H75 I80 R81	D73-Y77 VanDerWaalsContact OD2-CE2 3.25Å; D73-Y77 WeakPolarHBondContact OD2-CE2 3.24Å; D73-Y77 PolarHBondContact OD2-OH 2.88Å; H75-Y77 HydrophobicContact CB-CD2 4.32Å; H75-Y77 HydrophobicContact CB-CE1 4.08Å; H75-Y77 HydrophobicContact CB-CE2 3.83Å; H75-Y77 WeakPolarHBondContact O-CD2 3.15Å; H75-Y77 PolarHBondContact O-N 2.81Å; Y77-I80 HydrophobicContact CD1-CD1 4.4Å; Y77-R81 WeakPolarHBondContact O-CB 3.06Å; Y77-R81 PolarHBondContact O-N 3.17Å
78	E	97.6	Very high	95.9	Very high	103 Å²	103	76.1 Å²	76.1	48%	0.481	40%	0.403	S	S	.	.	H	α-helix	trans	-73.2	-45.3	175.9	-69.1	-58.4	131.7	0	0	110.4	D76 R81 R82	D76-E78 PolarHBondContact O-N 2.76Å; D76-E78 PolarHBondContact OD1-N 3.03Å; D76-E78 VanDerWaalsContact OD1-N 3.15Å; E78-R81 PolarHBondContact O-N 3.22Å; E78-R81 IonicContact OE1-CZ 3.7Å; E78-R81 IonicContact OE1-NH1 2.67Å; E78-R81 PolarHBondContact OE1-NH1 3.22Å; E78-R81 IonicContact OE1-NH2 2.67Å; E78-R81 PolarHBondContact OE1-NH2 2.62Å; E78-R81 IonicContact OE2-CZ 2.84Å; E78-R81 IonicContact OE2-NH1 3.43Å; E78-R81 PolarHBondContact OE2-NH1 2.76Å; E78-R81 IonicContact OE2-NH2 3.84Å; E78-R82 WeakPolarHBondContact O-CG 3.29Å; E78-R82 PolarHBondContact O-N 3.1Å
79	T	96.8	Very high	96.7	Very high	19 Å²	19	77.4 Å²	77.4	12%	0.117	40%	0.396	C	S	.	.	H	α-helix	trans	-64.1	-41.2	174	-65.1	0	0	0	0	111.7	D76 R81 R82 D83	D76-T79 VanDerWaalsContact CG-CB 3.46Å; D76-T79 VanDerWaalsContact CG-OG1 3.25Å; D76-T79 PolarHBondContact O-N 3.18Å; D76-T79 PolarHBondContact OD1-N 2.9Å; D76-T79 VanDerWaalsContact OD2-CB 3.23Å; D76-T79 WeakPolarHBondContact OD2-CB 3.5Å; D76-T79 PolarHBondContact OD2-OG1 3.08Å; T79-R81 VanDerWaalsContact C-N 3.34Å; T79-R81 PolarHBondContact O-N 2.95Å; T79-R82 PolarHBondContact O-N 3.49Å; T79-R82 PolarHBondContact OG1-NH2 2.89Å; T79-D83 WeakPolarHBondContact O-CB 3.36Å; T79-D83 PolarHBondContact O-N 3.27Å
80	I	98.1	Very high	97.2	Very high	56 Å²	56	74.9 Å²	74.9	29%	0.287	38%	0.381	S	S	.	.	H	α-helix	trans	-58.1	-45.6	174.2	-67.7	164.2	0	0	0	111.2	H75 D76 Y77 D83 A84 V244	H75-I80 HydrophobicContact CB-CD1 4.26Å; D76-I80 VanDerWaalsContact O-CG1 3.24Å; D76-I80 WeakPolarHBondContact O-CG1 3.44Å; D76-I80 PolarHBondContact O-N 2.93Å; Y77-I80 HydrophobicContact CD1-CD1 4.4Å; I80-D83 PolarHBondContact O-N 2.92Å; I80-A84 WeakPolarHBondContact O-CB 3.46Å; I80-A84 PolarHBondContact O-N 3.41Å; I80-V244 HydrophobicContact CD1-CG2 3.65Å; I80-V244 HydrophobicContact CG1-CG2 3.58Å
81	R	98.2	Very high	97.5	Very high	142 Å²	142	69.2 Å²	69.2	54%	0.536	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-41.5	179	-164.7	-172.7	-50.8	122.7	10.1	111.9	Y77 E78 T79 A84 A85	Y77-R81 WeakPolarHBondContact O-CB 3.06Å; Y77-R81 PolarHBondContact O-N 3.17Å; E78-R81 PolarHBondContact O-N 3.22Å; E78-R81 IonicContact OE1-CZ 3.7Å; E78-R81 IonicContact OE1-NH1 2.67Å; E78-R81 PolarHBondContact OE1-NH1 3.22Å; E78-R81 IonicContact OE1-NH2 2.67Å; E78-R81 PolarHBondContact OE1-NH2 2.62Å; E78-R81 IonicContact OE2-CZ 2.84Å; E78-R81 IonicContact OE2-NH1 3.43Å; E78-R81 PolarHBondContact OE2-NH1 2.76Å; E78-R81 IonicContact OE2-NH2 3.84Å; T79-R81 VanDerWaalsContact C-N 3.34Å; T79-R81 PolarHBondContact O-N 2.95Å; R81-A84 PolarHBondContact O-N 3.25Å; R81-A85 PolarHBondContact O-N 3.27Å
82	R	97.7	Very high	97.7	Very high	163 Å²	163	68 Å²	68	62%	0.615	36%	0.358	S	S	*	.	H	α-helix	trans	-64.6	-46.3	176.3	-72.3	-174.9	-60.7	168.8	3.1	111.6	E78 T79 A84 A85 R86	E78-R82 WeakPolarHBondContact O-CG 3.29Å; E78-R82 PolarHBondContact O-N 3.1Å; T79-R82 PolarHBondContact O-N 3.49Å; T79-R82 PolarHBondContact OG1-NH2 2.89Å; R82-A84 VanDerWaalsContact C-N 3.32Å; R82-A84 PolarHBondContact O-N 2.74Å; R82-A85 PolarHBondContact O-N 2.79Å; R82-A85 VanDerWaalsContact O-N 3.12Å; R82-R86 PolarHBondContact O-N 3.06Å
83	D	97.9	Very high	97.9	Very high	24 Å²	24	64.7 Å²	64.7	13%	0.128	35%	0.345	C	S	.	.	H	α-helix	trans	-63.3	-38.4	178.1	-89.3	5.2	0	0	0	111.3	T79 I80 A85 R86 Q92 S126 R171	T79-D83 WeakPolarHBondContact O-CB 3.36Å; T79-D83 PolarHBondContact O-N 3.27Å; I80-D83 PolarHBondContact O-N 2.92Å; D83-A85 VanDerWaalsContact C-N 3.27Å; D83-A85 PolarHBondContact O-N 3.41Å; D83-R86 WeakPolarHBondContact O-CB 3.37Å; D83-R86 PolarHBondContact O-N 3.09Å; D83-R86 WeakPolarHBondContact OD1-CD 3.46Å; D83-R86 IonicContact OD1-CZ 3.98Å; D83-R86 IonicContact OD1-NE 2.74Å; D83-R86 PolarHBondContact OD1-NE 3.29Å; D83-Q92 PolarHBondContact O-NE2 2.94Å; D83-S126 VanDerWaalsContact O-CB 3.31Å; D83-S126 WeakPolarHBondContact O-CB 3.47Å; D83-S126 PolarHBondContact O-OG 3.5Å; D83-R171 IonicContact OD2-CZ 3.97Å; D83-R171 IonicContact OD2-NE 3.63Å; D83-R171 PolarHBondContact OD2-NE 3.06Å; D83-R171 IonicContact OD2-NH2 3.88Å; D83-R171 PolarHBondContact OD2-NH2 3.29Å
84	A	97.6	Very high	97.9	Very high	68 Å²	68	68.5 Å²	68.5	56%	0.562	36%	0.359	S	S	*	.	H	α-helix	trans	-64	-29.4	174.5	0	0	0	0	0	113.4	I80 R81 R82 Q92	I80-A84 WeakPolarHBondContact O-CB 3.46Å; I80-A84 PolarHBondContact O-N 3.41Å; R81-A84 PolarHBondContact O-N 3.25Å; R82-A84 VanDerWaalsContact C-N 3.32Å; R82-A84 PolarHBondContact O-N 2.74Å; A84-Q92 PolarHBondContact O-NE2 2.76Å
85	A	97.9	Very high	97.9	Very high	83 Å²	83	71.3 Å²	71.3	69%	0.686	38%	0.38	S	S	*	.	H	α-helix	trans	-84.2	-9.7	177.9	0	0	0	0	0	113.8	R81 R82 D83	R81-A85 PolarHBondContact O-N 3.27Å; R82-A85 PolarHBondContact O-N 2.79Å; R82-A85 VanDerWaalsContact O-N 3.12Å; D83-A85 VanDerWaalsContact C-N 3.27Å; D83-A85 PolarHBondContact O-N 3.41Å
86	R	97.8	Very high	97.9	Very high	86 Å²	86	71.2 Å²	71.2	33%	0.325	38%	0.38	S	S	.	.			trans	-66.2	141.4	178.1	-71.5	175.8	174.4	-101.3	-1.8	111.4	R82 D83 E91 Q92 N124	R82-R86 PolarHBondContact O-N 3.06Å; D83-R86 WeakPolarHBondContact O-CB 3.37Å; D83-R86 PolarHBondContact O-N 3.09Å; D83-R86 WeakPolarHBondContact OD1-CD 3.46Å; D83-R86 IonicContact OD1-CZ 3.98Å; D83-R86 IonicContact OD1-NE 2.74Å; D83-R86 PolarHBondContact OD1-NE 3.29Å; R86-E91 HydrophobicContact CB-CG 4.36Å; R86-E91 VanDerWaalsContact CB-OE2 3.26Å; R86-E91 WeakPolarHBondContact CB-OE2 3.3Å; R86-E91 WeakPolarHBondContact CD-OE2 3.45Å; R86-Q92 PolarHBondContact O-NE2 3.14Å; R86-Q92 VanDerWaalsContact O-NE2 3.16Å; R86-N124 PolarHBondContact NH1-O 2.9Å
87	S	97.9	Very high	97.8	Very high	110 Å²	110	71.2 Å²	71.2	77%	0.769	38%	0.384	S	S	*	.			trans	-136.9	152.5	176.6	62.8	0	0	0	0	110.4
88	G	97.8	Very high	97.6	Very high	55 Å²	55	67.3 Å²	67.3	57%	0.567	37%	0.371	S	S	*	.	S	Bend	trans	137.8	175.7	-173.6	0	0	0	0	0	111.9	G90 E91	G88-G90 PolarHBondContact O-N 3.2Å; G88-E91 WeakPolarHBondContact O-CB 3.34Å; G88-E91 PolarHBondContact O-N 3.19Å
89	N	97.7	Very high	97.3	Very high	81 Å²	81	65.9 Å²	65.9	43%	0.433	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	131.1	178.4	-70.9	-27.1	0	0	0	111	E91 F96	N89-E91 PolarHBondContact O-N 3.38Å; N89-F96 HydrophobicContact CB-CD2 3.7Å; N89-F96 HydrophobicContact CB-CE2 3.6Å
90	G	97.7	Very high	97	Very high	2 Å²	2	71.7 Å²	71.7	2%	0.021	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	-6.2	179.8	0	0	0	0	0	115.5	G88 G93 K94 R125	G88-G90 PolarHBondContact O-N 3.2Å; G90-G93 PolarHBondContact O-N 3.3Å; G90-K94 WeakPolarHBondContact CA-O 3.44Å; G90-R125 WeakPolarHBondContact O-CD 3.48Å; G90-R125 PolarHBondContact O-NH1 3.39Å
91	E	98.6	Very high	96.5	Very high	12 Å²	12	72.2 Å²	72.2	6%	0.056	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-66.6	150.1	175.8	-64.1	-68.9	161.3	0	0	110.9	R86 G88 N89 G93 K94 S122 R125 S126	R86-E91 HydrophobicContact CB-CG 4.36Å; R86-E91 VanDerWaalsContact CB-OE2 3.26Å; R86-E91 WeakPolarHBondContact CB-OE2 3.3Å; R86-E91 WeakPolarHBondContact CD-OE2 3.45Å; G88-E91 WeakPolarHBondContact O-CB 3.34Å; G88-E91 PolarHBondContact O-N 3.19Å; N89-E91 PolarHBondContact O-N 3.38Å; E91-G93 PolarHBondContact O-N 3.45Å; E91-K94 PolarHBondContact O-N 3.03Å; E91-S122 WeakPolarHBondContact OE1-CB 3.47Å; E91-R125 WeakPolarHBondContact OE1-CA 3.49Å; E91-R125 WeakPolarHBondContact OE2-CA 3.44Å; E91-S126 PolarHBondContact OE2-N 3.32Å; E91-S126 PolarHBondContact OE2-OG 2.67Å
92	Q	98.3	Very high	96	Very high	55 Å²	55	65.7 Å²	65.7	26%	0.257	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	57.1	23.6	-169.5	-42.8	-56.9	-34.6	0	0	112.9	D83 A84 R86 K94 S126 P128	D83-Q92 PolarHBondContact O-NE2 2.94Å; A84-Q92 PolarHBondContact O-NE2 2.76Å; R86-Q92 PolarHBondContact O-NE2 3.14Å; R86-Q92 VanDerWaalsContact O-NE2 3.16Å; Q92-K94 HydrophobicContact CB-CG 4.44Å; Q92-K94 PolarHBondContact O-N 3.03Å; Q92-S126 WeakPolarHBondContact CA-O 3.48Å; Q92-S126 PolarHBondContact N-O 3.08Å; Q92-S126 PolarHBondContact N-OG 3.38Å; Q92-S126 PolarHBondContact NE2-OG 2.69Å; Q92-S126 PolarHBondContact OE1-OG 3.18Å; Q92-P128 WeakPolarHBondContact O-CD 3.38Å
93	G	98.1	Very high	95.5	Very high	4 Å²	4	65.2 Å²	65.2	4%	0.041	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	59.2	21.4	-175	0	0	0	0	0	114.9	G90 E91 S126 G275 Y276	G90-G93 PolarHBondContact O-N 3.3Å; E91-G93 PolarHBondContact O-N 3.45Å; G93-S126 PolarHBondContact N-O 3.28Å; G93-S126 VanDerWaalsContact N-O 3.08Å; G93-G275 WeakPolarHBondContact O-CA 3.3Å; G93-Y276 PolarHBondContact O-N 3.38Å
94	K	98.4	Very high	95.1	Very high	138 Å²	138	66.8 Å²	66.8	60%	0.6	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-67	144.1	176.5	-68.3	178.7	-178.5	178.6	0	110.5	G90 E91 Q92 F96	G90-K94 WeakPolarHBondContact CA-O 3.44Å; E91-K94 PolarHBondContact O-N 3.03Å; Q92-K94 HydrophobicContact CB-CG 4.44Å; Q92-K94 PolarHBondContact O-N 3.03Å; K94-F96 PolarHBondContact O-N 2.95Å
95	P	97.9	Very high	94.7	Very high	82 Å²	82	69.1 Å²	69.1	53%	0.532	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-53	136	172.5	-28.1	36.2	0	0	0	112.1	N273	P95-N273 HydrophobicContact CB-CB 4.17Å; P95-N273 WeakPolarHBondContact CB-OD1 3.33Å
96	F	97.6	Very high	94.3	Very high	12 Å²	12	69 Å²	69	5%	0.053	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-65.2	134.7	171.8	-171.9	-84.5	0	0	0	110.1	N89 K94 L98 V117 R120 I121 N273	N89-F96 HydrophobicContact CB-CD2 3.7Å; N89-F96 HydrophobicContact CB-CE2 3.6Å; K94-F96 PolarHBondContact O-N 2.95Å; F96-L98 HydrophobicContact CD1-CD2 4.31Å; F96-L98 PolarHBondContact O-N 3.08Å; F96-V117 HydrophobicContact CB-CG1 3.55Å; F96-V117 HydrophobicContact CD1-CG1 4.18Å; F96-V117 HydrophobicContact CD1-CG2 4.07Å; F96-V117 HydrophobicContact CD2-CG1 4.09Å; F96-V117 HydrophobicContact CG-CG1 3.69Å; F96-V117 HydrophobicContact CG-CG2 4.42Å; F96-R120 HydrophobicContact CE2-CB 3.81Å; F96-R120 HydrophobicContact CZ-CB 4.1Å; F96-I121 HydrophobicContact CB-CD1 4.38Å; F96-I121 HydrophobicContact CD2-CD1 4.24Å; F96-I121 HydrophobicContact CD2-CG1 3.86Å; F96-N273 VanDerWaalsContact CB-O 3.29Å; F96-N273 WeakPolarHBondContact CB-O 3.46Å; F96-N273 PolarHBondContact N-O 2.91Å
97	P	96.1	Very high	94	Very high	82 Å²	82	65 Å²	65	53%	0.532	37%	0.37	S	S	.	.			trans	-72.1	91.8	177.9	29.8	-34	0	0	0	110.6
98	L	93.6	Very high	93.8	Very high	37 Å²	37	60.4 Å²	60.4	19%	0.194	34%	0.336	C	S	.	.			trans	-63.6	133.9	-177.7	-63.9	176.5	0	0	0	112.5	F96 D102 V117 D272 N273	F96-L98 HydrophobicContact CD1-CD2 4.31Å; F96-L98 PolarHBondContact O-N 3.08Å; L98-D102 HydrophobicContact CD2-CB 3.94Å; L98-V117 HydrophobicContact CD2-CG2 3.53Å; L98-D272 HydrophobicContact CD1-CB 4.49Å; L98-N273 HydrophobicContact CD1-CB 4.11Å; L98-N273 HydrophobicContact CD2-CB 4.48Å; L98-N273 HydrophobicContact CG-CB 4.18Å
99	T	92.4	Very high	93.5	Very high	73 Å²	73	65 Å²	65	45%	0.448	34%	0.336	S	S	.	.			trans	-107	169.9	169	68	0	0	0	0	110.8	A101 D102 R103	T99-A101 PolarHBondContact O-N 3.21Å; T99-D102 PolarHBondContact N-OD2 3.29Å; T99-D102 WeakPolarHBondContact O-CB 3.4Å; T99-D102 PolarHBondContact O-N 3.01Å; T99-D102 PolarHBondContact OG1-OD2 3.18Å; T99-R103 PolarHBondContact O-N 3.11Å
100	D	89.5	Confident	93.1	Very high	141 Å²	141	65.2 Å²	65.2	75%	0.754	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-60.5	-31.8	178.5	-66.4	-29.6	0	0	0	112.8	D102 R103	D100-D102 PolarHBondContact O-N 3.36Å; D100-R103 PolarHBondContact O-N 3.03Å
101	A	87.7	Confident	92.9	Very high	67 Å²	67	65.2 Å²	65.2	55%	0.554	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-63.9	-22	174.9	0	0	0	0	0	112.9	T99	T99-A101 PolarHBondContact O-N 3.21Å
102	D	88	Confident	92.7	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.021	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-90.4	-16.5	-177.9	-49.9	-36.5	0	0	0	112	L98 T99 D100 V104 N114 V117 R120	L98-D102 HydrophobicContact CD2-CB 3.94Å; T99-D102 PolarHBondContact N-OD2 3.29Å; T99-D102 WeakPolarHBondContact O-CB 3.4Å; T99-D102 PolarHBondContact O-N 3.01Å; T99-D102 PolarHBondContact OG1-OD2 3.18Å; D100-D102 PolarHBondContact O-N 3.36Å; D102-V104 VanDerWaalsContact C-N 3.3Å; D102-V104 PolarHBondContact O-N 2.96Å; D102-N114 PolarHBondContact O-ND2 3.08Å; D102-V117 HydrophobicContact CB-CG2 4.36Å; D102-R120 IonicContact OD1-CZ 2.76Å; D102-R120 IonicContact OD1-NH1 3.49Å; D102-R120 PolarHBondContact OD1-NH1 3.15Å; D102-R120 IonicContact OD1-NH2 3.72Å; D102-R120 PolarHBondContact OD1-NH2 2.9Å; D102-R120 IonicContact OD2-NH1 2.62Å; D102-R120 PolarHBondContact OD2-NH1 2.92Å; D102-R120 IonicContact OD2-NH2 3.08Å
103	R	87	Confident	92.6	Very high	153 Å²	153	62 Å²	62	58%	0.577	32%	0.319	S	S	*	.	S	Bend	trans	-94.8	27	-174.9	-64.4	178.6	-178.2	-85.8	0.9	112.7	T99 D100	T99-R103 PolarHBondContact O-N 3.11Å; D100-R103 PolarHBondContact O-N 3.03Å
104	V	89.1	Confident	92.6	Very high	58 Å²	58	61.9 Å²	61.9	35%	0.352	32%	0.317	S	S	.	.			trans	-93.1	138.4	179.1	-61.6	0	0	0	0	111.1	D102 Q106 A107 Y116	D102-V104 VanDerWaalsContact C-N 3.3Å; D102-V104 PolarHBondContact O-N 2.96Å; V104-Q106 HydrophobicContact CG2-CB 4.34Å; V104-Q106 PolarHBondContact O-N 3.48Å; V104-Q106 VanDerWaalsContact O-N 3.08Å; V104-A107 HydrophobicContact CG2-CB 4.23Å; V104-A107 WeakPolarHBondContact O-CB 3.25Å; V104-A107 PolarHBondContact O-N 2.79Å; V104-Y116 HydrophobicContact CG2-CD2 4.19Å; V104-Y116 HydrophobicContact CG2-CE2 3.67Å
105	D	88.6	Confident	92.5	Very high	116 Å²	116	55.9 Å²	55.9	62%	0.62	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.6	179.7	-70.4	-27.4	0	0	0	112.9	A107 Y108 R109	D105-A107 PolarHBondContact O-N 2.99Å; D105-Y108 PolarHBondContact O-N 3.46Å; D105-R109 PolarHBondContact O-N 3.02Å
106	Q	90.9	Very high	92.5	Very high	81 Å²	81	56.3 Å²	56.3	38%	0.379	28%	0.284	S	S	.	.	H	α-helix	trans	-57.4	-32.2	178	-171.5	64.9	35.6	0	0	112.5	V104 Y108 R109 Y116	V104-Q106 HydrophobicContact CG2-CB 4.34Å; V104-Q106 PolarHBondContact O-N 3.48Å; V104-Q106 VanDerWaalsContact O-N 3.08Å; Q106-Y108 PolarHBondContact O-N 3.28Å; Q106-R109 PolarHBondContact O-N 3.48Å; Q106-R109 VanDerWaalsContact OE1-CD 3.32Å; Q106-Y116 WeakPolarHBondContact CG-OH 3.41Å
107	A	91.1	Very high	92.5	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-64	-20.6	178.8	0	0	0	0	0	112.8	V104 D105 N114 I115 Y116	V104-A107 HydrophobicContact CG2-CB 4.23Å; V104-A107 WeakPolarHBondContact O-CB 3.25Å; V104-A107 PolarHBondContact O-N 2.79Å; D105-A107 PolarHBondContact O-N 2.99Å; A107-N114 WeakPolarHBondContact CB-OD1 3.48Å; A107-I115 WeakPolarHBondContact O-CG2 3.33Å; A107-I115 PolarHBondContact O-N 3.19Å; A107-Y116 HydrophobicContact CB-CD1 4.27Å; A107-Y116 HydrophobicContact CB-CD2 3.7Å; A107-Y116 HydrophobicContact CB-CE2 4.02Å; A107-Y116 HydrophobicContact CB-CG 3.83Å
108	Y	93.7	Very high	92.6	Very high	15 Å²	15	51.9 Å²	51.9	6%	0.059	26%	0.256	C	S	.	.	H	α-helix	trans	-102.9	-23.7	-178.1	-59.6	-91.3	0	0	0	112.9	D105 Q106 E110 N111 G112 N114 D272 Y375	D105-Y108 PolarHBondContact O-N 3.46Å; Q106-Y108 PolarHBondContact O-N 3.28Å; Y108-E110 PolarHBondContact O-N 3.42Å; Y108-N111 PolarHBondContact O-N 3.18Å; Y108-G112 WeakPolarHBondContact O-CA 3.18Å; Y108-G112 PolarHBondContact O-N 3.37Å; Y108-N114 HydrophobicContact CD1-CB 4.42Å; Y108-N114 HydrophobicContact CE1-CB 3.72Å; Y108-N114 HydrophobicContact CE2-CB 4.44Å; Y108-N114 PolarHBondContact OH-ND2 2.9Å; Y108-D272 WeakPolarHBondContact CE1-OD1 3.27Å; Y108-D272 VanDerWaalsContact OH-CG 3.23Å; Y108-D272 PolarHBondContact OH-OD1 3.19Å; Y108-Y375 WeakPolarHBondContact CB-OH 3.27Å; Y108-Y375 PolarHBondContact O-OH 3.15Å
109	R	91.1	Very high	92.8	Very high	151 Å²	151	54.5 Å²	54.5	57%	0.57	27%	0.27	S	S	*	.	H	α-helix	trans	-51.1	-40.6	-168.3	-77.2	-174	-171.6	174.2	-7.5	114.1	D105 Q106 Y375	D105-R109 PolarHBondContact O-N 3.02Å; Q106-R109 PolarHBondContact O-N 3.48Å; Q106-R109 VanDerWaalsContact OE1-CD 3.32Å; R109-Y375 WeakPolarHBondContact CA-OH 3.48Å; R109-Y375 PolarHBondContact N-OH 2.85Å
110	E	89.5	Confident	93.1	Very high	86 Å²	86	56.2 Å²	56.2	40%	0.402	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-31.8	-173.5	-57.6	-161.3	124.6	0	0	113.8	Y108 K189 P377	Y108-E110 PolarHBondContact O-N 3.42Å; E110-K189 IonicContact OE1-NZ 3.96Å; E110-K189 PolarHBondContact OE1-NZ 3.2Å; E110-P377 VanDerWaalsContact O-CB 3.29Å; E110-P377 WeakPolarHBondContact O-CB 3.36Å
111	N	93.3	Very high	93.5	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.011	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-9.8	-167.9	-62.1	-68.2	0	0	0	113.8	Y108 F113 G157 R373	Y108-N111 PolarHBondContact O-N 3.18Å; N111-F113 HydrophobicContact CB-CD1 3.9Å; N111-F113 HydrophobicContact CB-CD2 3.91Å; N111-F113 HydrophobicContact CB-CE1 3.67Å; N111-F113 HydrophobicContact CB-CE2 3.65Å; N111-F113 HydrophobicContact CB-CG 4.02Å; N111-F113 HydrophobicContact CB-CZ 3.52Å; N111-F113 WeakPolarHBondContact O-CD1 3.19Å; N111-F113 PolarHBondContact O-N 2.88Å; N111-G157 WeakPolarHBondContact OD1-CA 3.46Å; N111-G157 PolarHBondContact OD1-N 3.34Å; N111-R373 WeakPolarHBondContact O-CD 3.36Å; N111-R373 PolarHBondContact O-NH1 3.06Å
112	G	94.3	Very high	94	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	67.4	9.5	-171	0	0	0	0	0	113.7	Y108 K374	Y108-G112 WeakPolarHBondContact O-CA 3.18Å; Y108-G112 PolarHBondContact O-N 3.37Å; G112-K374 WeakPolarHBondContact O-CB 3.48Å; G112-K374 PolarHBondContact O-N 2.72Å
113	F	97.1	Very high	94.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-142.7	162	171.4	58.1	-108.5	0	0	0	109.3	N111 I115 E156 S160 H239 H271 F274 I371 R373	N111-F113 HydrophobicContact CB-CD1 3.9Å; N111-F113 HydrophobicContact CB-CD2 3.91Å; N111-F113 HydrophobicContact CB-CE1 3.67Å; N111-F113 HydrophobicContact CB-CE2 3.65Å; N111-F113 HydrophobicContact CB-CG 4.02Å; N111-F113 HydrophobicContact CB-CZ 3.52Å; N111-F113 WeakPolarHBondContact O-CD1 3.19Å; N111-F113 PolarHBondContact O-N 2.88Å; F113-I115 HydrophobicContact CE2-CD1 4.04Å; F113-I115 PolarHBondContact O-N 3.04Å; F113-E156 WeakPolarHBondContact CE1-OE1 3.33Å; F113-E156 WeakPolarHBondContact CZ-OE1 3.39Å; F113-S160 WeakPolarHBondContact CZ-OG 3.43Å; F113-H239 HydrophobicContact CE1-CB 4.35Å; F113-H271 HydrophobicContact CB-CB 3.79Å; F113-F274 HydrophobicContact CD2-CE2 4.42Å; F113-F274 AromaticContact CD2-CZ 3.92Å; F113-F274 HydrophobicContact CD2-CZ 3.92Å; F113-F274 HydrophobicContact CE2-CZ 4.37Å; F113-I371 HydrophobicContact CB-CG2 3.68Å; F113-I371 HydrophobicContact CD1-CB 4.42Å; F113-I371 HydrophobicContact CD1-CG2 3.66Å; F113-I371 HydrophobicContact CD2-CD1 4.45Å; F113-I371 HydrophobicContact CE1-CD1 4.48Å; F113-I371 HydrophobicContact CE1-CG2 4.41Å; F113-I371 HydrophobicContact CE2-CD1 4.4Å; F113-I371 HydrophobicContact CG-CG2 3.75Å; F113-I371 HydrophobicContact CZ-CD1 4.42Å; F113-R373 HydrophobicContact CD1-CG 4.22Å
114	N	97.6	Very high	95.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.218	C	C	.	.			trans	-72.8	93.6	-171.5	-164.4	-37.4	0	0	0	112.4	D102 A107 Y108 Y116 V117 S118 H271 D272 F274	D102-N114 PolarHBondContact O-ND2 3.08Å; A107-N114 WeakPolarHBondContact CB-OD1 3.48Å; Y108-N114 HydrophobicContact CD1-CB 4.42Å; Y108-N114 HydrophobicContact CE1-CB 3.72Å; Y108-N114 HydrophobicContact CE2-CB 4.44Å; Y108-N114 PolarHBondContact OH-ND2 2.9Å; N114-Y116 VanDerWaalsContact C-N 3.3Å; N114-Y116 PolarHBondContact O-N 2.87Å; N114-Y116 PolarHBondContact OD1-N 3.21Å; N114-V117 HydrophobicContact CB-CB 4.18Å; N114-V117 HydrophobicContact CB-CG2 4.23Å; N114-V117 VanDerWaalsContact CG-CG2 3.49Å; N114-V117 PolarHBondContact O-N 3.06Å; N114-V117 WeakPolarHBondContact OD1-CG2 3.43Å; N114-V117 PolarHBondContact OD1-N 3Å; N114-S118 PolarHBondContact O-N 3.3Å; N114-H271 WeakPolarHBondContact CB-O 3.22Å; N114-H271 PolarHBondContact N-O 3.47Å; N114-D272 WeakPolarHBondContact CB-O 3.49Å; N114-F274 HydrophobicContact CB-CE2 4.43Å; N114-F274 VanDerWaalsContact O-CE2 3.27Å; N114-F274 WeakPolarHBondContact O-CE2 3.44Å
115	I	97.4	Very high	95.5	Very high	13 Å²	13	43 Å²	43	7%	0.067	20%	0.202	C	C	.	.	H	α-helix	trans	-68	-30.6	-178.5	-163.2	62.8	0	0	0	112.3	A107 F113 V117 S118 D119	A107-I115 WeakPolarHBondContact O-CG2 3.33Å; A107-I115 PolarHBondContact O-N 3.19Å; F113-I115 HydrophobicContact CE2-CD1 4.04Å; F113-I115 PolarHBondContact O-N 3.04Å; I115-V117 VanDerWaalsContact C-N 3.3Å; I115-V117 PolarHBondContact O-N 3.48Å; I115-S118 WeakPolarHBondContact O-CB 3.41Å; I115-S118 PolarHBondContact O-N 2.97Å; I115-D119 PolarHBondContact O-N 2.64Å
116	Y	96.9	Very high	96	Very high	91 Å²	91	37.5 Å²	37.5	36%	0.357	17%	0.172	S	C	.	.	H	α-helix	trans	-65.5	-35.7	179	-64.1	-2.9	0	0	0	112	V104 Q106 A107 N114 R120	V104-Y116 HydrophobicContact CG2-CD2 4.19Å; V104-Y116 HydrophobicContact CG2-CE2 3.67Å; Q106-Y116 WeakPolarHBondContact CG-OH 3.41Å; A107-Y116 HydrophobicContact CB-CD1 4.27Å; A107-Y116 HydrophobicContact CB-CD2 3.7Å; A107-Y116 HydrophobicContact CB-CE2 4.02Å; A107-Y116 HydrophobicContact CB-CG 3.83Å; N114-Y116 VanDerWaalsContact C-N 3.3Å; N114-Y116 PolarHBondContact O-N 2.87Å; N114-Y116 PolarHBondContact OD1-N 3.21Å; Y116-R120 PolarHBondContact O-NE 2.87Å; Y116-R120 PolarHBondContact O-NH2 2.91Å; Y116-R120 VanDerWaalsContact O-NH2 3.1Å
117	V	97.8	Very high	96.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-70	-47.7	172.9	169.7	0	0	0	0	110	F96 L98 D102 N114 I115 D119 R120 I121 F274	F96-V117 HydrophobicContact CB-CG1 3.55Å; F96-V117 HydrophobicContact CD1-CG1 4.18Å; F96-V117 HydrophobicContact CD1-CG2 4.07Å; F96-V117 HydrophobicContact CD2-CG1 4.09Å; F96-V117 HydrophobicContact CG-CG1 3.69Å; F96-V117 HydrophobicContact CG-CG2 4.42Å; L98-V117 HydrophobicContact CD2-CG2 3.53Å; D102-V117 HydrophobicContact CB-CG2 4.36Å; N114-V117 HydrophobicContact CB-CB 4.18Å; N114-V117 HydrophobicContact CB-CG2 4.23Å; N114-V117 VanDerWaalsContact CG-CG2 3.49Å; N114-V117 PolarHBondContact O-N 3.06Å; N114-V117 WeakPolarHBondContact OD1-CG2 3.43Å; N114-V117 PolarHBondContact OD1-N 3Å; I115-V117 VanDerWaalsContact C-N 3.3Å; I115-V117 PolarHBondContact O-N 3.48Å; V117-D119 VanDerWaalsContact C-N 3.3Å; V117-D119 PolarHBondContact O-N 2.73Å; V117-R120 PolarHBondContact O-N 2.77Å; V117-R120 VanDerWaalsContact O-N 3.09Å; V117-I121 HydrophobicContact CG1-CD1 3.78Å; V117-I121 HydrophobicContact CG1-CG1 4.5Å; V117-I121 WeakPolarHBondContact O-CG1 3.46Å; V117-I121 PolarHBondContact O-N 3.21Å; V117-F274 HydrophobicContact CB-CD2 4.21Å; V117-F274 HydrophobicContact CB-CE2 4.47Å; V117-F274 HydrophobicContact CG1-CB 4.2Å; V117-F274 HydrophobicContact CG1-CD2 3.68Å; V117-F274 HydrophobicContact CG1-CE2 4.38Å; V117-F274 HydrophobicContact CG1-CG 4.09Å
118	S	98.2	Very high	96.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-52	-48	176.5	-167.1	0	0	0	0	111.9	N114 I115 R120 I121 S159 R163 F274	N114-S118 PolarHBondContact O-N 3.3Å; I115-S118 WeakPolarHBondContact O-CB 3.41Å; I115-S118 PolarHBondContact O-N 2.97Å; S118-R120 PolarHBondContact O-N 3.37Å; S118-R120 VanDerWaalsContact O-N 3.14Å; S118-I121 PolarHBondContact O-N 2.74Å; S118-S159 VanDerWaalsContact CB-OG 3.25Å; S118-S159 WeakPolarHBondContact CB-OG 3.41Å; S118-S159 PolarHBondContact OG-OG 2.67Å; S118-R163 PolarHBondContact O-NH2 3Å; S118-R163 PolarHBondContact OG-NH2 2.78Å; S118-F274 VanDerWaalsContact CB-CZ 3.43Å
119	D	97.8	Very high	96.9	Very high	92 Å²	92	37.4 Å²	37.4	49%	0.492	18%	0.177	S	C	.	.	H	α-helix	trans	-62.8	-24	-176.7	-68.1	-15.6	0	0	0	113.8	I115 V117 S159	I115-D119 PolarHBondContact O-N 2.64Å; V117-D119 VanDerWaalsContact C-N 3.3Å; V117-D119 PolarHBondContact O-N 2.73Å; D119-S159 WeakPolarHBondContact OD1-CB 3.29Å; D119-S159 PolarHBondContact OD1-OG 3.09Å
120	R	97.8	Very high	97.2	Very high	109 Å²	109	33.1 Å²	33.1	41%	0.411	17%	0.165	S	C	.	.	H	α-helix	trans	-96	-1.1	177.9	-73.2	174.7	-67.1	171.9	1.2	113.9	F96 D102 Y116 V117 S118	F96-R120 HydrophobicContact CE2-CB 3.81Å; F96-R120 HydrophobicContact CZ-CB 4.1Å; D102-R120 IonicContact OD1-CZ 2.76Å; D102-R120 IonicContact OD1-NH1 3.49Å; D102-R120 PolarHBondContact OD1-NH1 3.15Å; D102-R120 IonicContact OD1-NH2 3.72Å; D102-R120 PolarHBondContact OD1-NH2 2.9Å; D102-R120 IonicContact OD2-NH1 2.62Å; D102-R120 PolarHBondContact OD2-NH1 2.92Å; D102-R120 IonicContact OD2-NH2 3.08Å; Y116-R120 PolarHBondContact O-NE 2.87Å; Y116-R120 PolarHBondContact O-NH2 2.91Å; Y116-R120 VanDerWaalsContact O-NH2 3.1Å; V117-R120 PolarHBondContact O-N 2.77Å; V117-R120 VanDerWaalsContact O-N 3.09Å; S118-R120 PolarHBondContact O-N 3.37Å; S118-R120 VanDerWaalsContact O-N 3.14Å
121	I	98.6	Very high	97.7	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.031	15%	0.147	C	C	.	.	S	Bend	trans	-97.5	135.8	173	-65.6	172.8	0	0	0	108.5	F96 V117 S118 L123 R125 R163 F274	F96-I121 HydrophobicContact CB-CD1 4.38Å; F96-I121 HydrophobicContact CD2-CD1 4.24Å; F96-I121 HydrophobicContact CD2-CG1 3.86Å; V117-I121 HydrophobicContact CG1-CD1 3.78Å; V117-I121 HydrophobicContact CG1-CG1 4.5Å; V117-I121 WeakPolarHBondContact O-CG1 3.46Å; V117-I121 PolarHBondContact O-N 3.21Å; S118-I121 PolarHBondContact O-N 2.74Å; I121-L123 PolarHBondContact O-N 2.97Å; I121-R125 HydrophobicContact CG2-CB 4.04Å; I121-R125 VanDerWaalsContact CG2-CD 3.5Å; I121-R125 HydrophobicContact CG2-CG 3.88Å; I121-R163 VanDerWaalsContact C-NH1 3.33Å; I121-R163 PolarHBondContact O-NH1 2.67Å; I121-R163 PolarHBondContact O-NH2 2.88Å; I121-F274 HydrophobicContact CD1-CB 3.44Å; I121-F274 VanDerWaalsContact CD1-CB 3.44Å; I121-F274 HydrophobicContact CD1-CD1 4.12Å; I121-F274 HydrophobicContact CD1-CG 3.9Å
122	S	98.6	Very high	97.9	Very high	48 Å²	48	32.3 Å²	32.3	34%	0.336	16%	0.16	S	C	.	.			trans	-54.6	129	177.6	172.7	0	0	0	0	112.5	E91 N124 R125 R163	E91-S122 WeakPolarHBondContact OE1-CB 3.47Å; S122-N124 PolarHBondContact O-N 2.76Å; S122-N124 PolarHBondContact OG-N 2.61Å; S122-R125 WeakPolarHBondContact O-CB 3.42Å; S122-R125 PolarHBondContact O-N 2.8Å; S122-R163 PolarHBondContact O-NH1 3.1Å
123	L	98.6	Very high	98.1	Very high	44 Å²	44	36.5 Å²	36.5	23%	0.23	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-22	174.7	-63	178	0	0	0	112.9	I121 S159 L162 R163	I121-L123 PolarHBondContact O-N 2.97Å; L123-S159 VanDerWaalsContact CD2-O 3.27Å; L123-S159 WeakPolarHBondContact CD2-O 3.41Å; L123-L162 HydrophobicContact CD1-CB 4.03Å; L123-L162 HydrophobicContact CD1-CD2 3.87Å; L123-L162 HydrophobicContact CD2-CB 3.89Å; L123-R163 HydrophobicContact CD2-CB 4.23Å; L123-R163 WeakPolarHBondContact O-CG 3.47Å
124	N	98.5	Very high	98.1	Very high	48 Å²	48	39.3 Å²	39.3	26%	0.257	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	21	179.2	-68.5	-27.4	0	0	0	112.6	R86 S122 H166 N170	R86-N124 PolarHBondContact NH1-O 2.9Å; S122-N124 PolarHBondContact O-N 2.76Å; S122-N124 PolarHBondContact OG-N 2.61Å; N124-H166 VanDerWaalsContact OD1-CB 3.3Å; N124-H166 WeakPolarHBondContact OD1-CB 3.33Å; N124-H166 VanDerWaalsContact OD1-CG 3.31Å; N124-H166 PolarHBondContact OD1-ND1 3.43Å; N124-H166 VanDerWaalsContact OD1-ND1 3.11Å; N124-N170 PolarHBondContact OD1-ND2 2.96Å
125	R	98.7	Very high	98.2	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	20%	0.202	C	C	.	.			trans	-52.6	145.6	-176.6	64.3	151.2	172.5	-171.2	5.4	112.4	G90 E91 I121 S122 R171 E241 F274	G90-R125 WeakPolarHBondContact O-CD 3.48Å; G90-R125 PolarHBondContact O-NH1 3.39Å; E91-R125 WeakPolarHBondContact OE1-CA 3.49Å; E91-R125 WeakPolarHBondContact OE2-CA 3.44Å; I121-R125 HydrophobicContact CG2-CB 4.04Å; I121-R125 VanDerWaalsContact CG2-CD 3.5Å; I121-R125 HydrophobicContact CG2-CG 3.88Å; S122-R125 WeakPolarHBondContact O-CB 3.42Å; S122-R125 PolarHBondContact O-N 2.8Å; R125-R171 PolarHBondContact O-NH2 2.69Å; R125-E241 WeakPolarHBondContact CG-OE2 3.45Å; R125-E241 IonicContact CZ-OE1 3.16Å; R125-E241 VanDerWaalsContact CZ-OE1 3.23Å; R125-E241 IonicContact CZ-OE2 3.52Å; R125-E241 VanDerWaalsContact NE-CD 3.32Å; R125-E241 IonicContact NE-OE1 3.77Å; R125-E241 PolarHBondContact NE-OE1 2.96Å; R125-E241 IonicContact NE-OE2 2.76Å; R125-E241 PolarHBondContact NE-OE2 3.36Å; R125-E241 IonicContact NH2-OE1 2.66Å; R125-E241 PolarHBondContact NH2-OE1 2.75Å; R125-E241 IonicContact NH2-OE2 3.98Å; R125-F274 PolarHBondContact NH1-O 3.05Å; R125-F274 PolarHBondContact NH2-O 2.91Å; R125-F274 VanDerWaalsContact NH2-O 3.17Å
126	S	98.6	Very high	98.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.			trans	-74.5	149.8	166.7	59.9	0	0	0	0	110.7	D83 E91 Q92 G93	D83-S126 VanDerWaalsContact O-CB 3.31Å; D83-S126 WeakPolarHBondContact O-CB 3.47Å; D83-S126 PolarHBondContact O-OG 3.5Å; E91-S126 PolarHBondContact OE2-N 3.32Å; E91-S126 PolarHBondContact OE2-OG 2.67Å; Q92-S126 WeakPolarHBondContact CA-O 3.48Å; Q92-S126 PolarHBondContact N-O 3.08Å; Q92-S126 PolarHBondContact N-OG 3.38Å; Q92-S126 PolarHBondContact NE2-OG 2.69Å; Q92-S126 PolarHBondContact OE1-OG 3.18Å; G93-S126 PolarHBondContact N-O 3.28Å; G93-S126 VanDerWaalsContact N-O 3.08Å
127	V	98.4	Very high	98.1	Very high	13 Å²	13	47.1 Å²	47.1	8%	0.079	24%	0.238	C	C	.	.			trans	-123.7	153	176.3	-67.2	0	0	0	0	108.7	N243 Y276	V127-N243 HydrophobicContact CG2-CB 4.39Å; V127-Y276 HydrophobicContact CB-CD2 4.07Å; V127-Y276 HydrophobicContact CB-CE2 4.2Å; V127-Y276 HydrophobicContact CB-CG 4.44Å; V127-Y276 HydrophobicContact CG1-CD2 3.84Å; V127-Y276 HydrophobicContact CG1-CE2 4.18Å
128	P	98.2	Very high	98.1	Very high	31 Å²	31	48.7 Å²	48.7	20%	0.201	25%	0.245	C	C	.	.			trans	-72.2	140.4	-176.4	30.6	-33.6	0	0	0	110.7	Q92 I130 N243 Y276	Q92-P128 WeakPolarHBondContact O-CD 3.38Å; P128-I130 HydrophobicContact CB-CG2 3.98Å; P128-I130 HydrophobicContact CG-CG2 4Å; P128-I130 PolarHBondContact O-N 3.44Å; P128-I130 VanDerWaalsContact O-N 3.08Å; P128-N243 PolarHBondContact O-ND2 3.06Å; P128-Y276 HydrophobicContact CG-CD1 3.8Å; P128-Y276 HydrophobicContact CG-CG 4.31Å
129	D	98.4	Very high	98	Very high	51 Å²	51	51 Å²	51	27%	0.273	26%	0.257	S	S	.	.			trans	-81.2	85.7	170.9	-174	1.1	0	0	0	110	R131 K136 V244	D129-R131 VanDerWaalsContact C-N 3.31Å; D129-R131 WeakPolarHBondContact OD1-CB 3.47Å; D129-R131 WeakPolarHBondContact OD1-CG 3.36Å; D129-R131 IonicContact OD1-CZ 3.59Å; D129-R131 PolarHBondContact OD1-N 2.78Å; D129-R131 IonicContact OD1-NE 2.79Å; D129-R131 PolarHBondContact OD1-NE 3.07Å; D129-R131 IonicContact OD1-NH2 3.52Å; D129-R131 IonicContact OD2-CZ 3.71Å; D129-R131 IonicContact OD2-NE 3.89Å; D129-R131 IonicContact OD2-NH2 3.65Å; D129-R131 PolarHBondContact OD2-NH2 3.46Å; D129-K136 WeakPolarHBondContact OD2-CE 3.22Å; D129-K136 IonicContact OD2-NZ 3.4Å; D129-V244 HydrophobicContact CB-CG1 4Å
130	I	98.1	Very high	98	Very high	60 Å²	60	47.2 Å²	47.2	31%	0.308	24%	0.236	S	C	.	.			trans	-91.4	14	178.1	65.7	172.7	0	0	0	113.1	P128 Y276	P128-I130 HydrophobicContact CB-CG2 3.98Å; P128-I130 HydrophobicContact CG-CG2 4Å; P128-I130 PolarHBondContact O-N 3.44Å; P128-I130 VanDerWaalsContact O-N 3.08Å; I130-Y276 HydrophobicContact CD1-CD1 4.26Å; I130-Y276 HydrophobicContact CD1-CE1 3.76Å; I130-Y276 HydrophobicContact CG1-CE1 4.2Å
131	R	98.5	Very high	98	Very high	11 Å²	11	42.9 Å²	42.9	4%	0.042	22%	0.222	C	C	.	.	S	Bend	trans	-65.2	155.5	176	-64.1	175.6	-60.9	155.7	5.2	110.6	H75 D129 C135 C365 R367	H75-R131 PolarHBondContact NE2-NH1 3.35Å; H75-R131 PolarHBondContact NE2-NH2 3.17Å; D129-R131 VanDerWaalsContact C-N 3.31Å; D129-R131 WeakPolarHBondContact OD1-CB 3.47Å; D129-R131 WeakPolarHBondContact OD1-CG 3.36Å; D129-R131 IonicContact OD1-CZ 3.59Å; D129-R131 PolarHBondContact OD1-N 2.78Å; D129-R131 IonicContact OD1-NE 2.79Å; D129-R131 PolarHBondContact OD1-NE 3.07Å; D129-R131 IonicContact OD1-NH2 3.52Å; D129-R131 IonicContact OD2-CZ 3.71Å; D129-R131 IonicContact OD2-NE 3.89Å; D129-R131 IonicContact OD2-NH2 3.65Å; D129-R131 PolarHBondContact OD2-NH2 3.46Å; R131-C135 HydrophobicContact CB-CB 3.96Å; R131-C365 WeakPolarHBondContact CD-O 3.31Å; R131-R367 HydrophobicContact CG-CG 3.86Å
132	H	98.3	Very high	97.8	Very high	61 Å²	61	46.3 Å²	46.3	28%	0.282	24%	0.238	S	C	.	.			trans	-55.1	138.8	171	-172.6	-89.7	0	0	0	110.6	N134 C135	H132-N134 PolarHBondContact CE1-ND2 3.29Å; H132-N134 WeakPolarHBondContact ND1-CB 3.29Å; H132-N134 PolarHBondContact ND1-N 2.86Å; H132-N134 PolarHBondContact O-N 2.85Å; H132-C135 VanDerWaalsContact O-CB 3.24Å; H132-C135 WeakPolarHBondContact O-CB 3.47Å; H132-C135 PolarHBondContact O-N 3.33Å
133	P	98	Very high	97.7	Very high	87 Å²	87	52.6 Å²	52.6	57%	0.565	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-53.4	-32.1	-175.2	-30.4	36	0	0	0	115.1	C135 K136	P133-C135 VanDerWaalsContact C-N 3.27Å; P133-C135 PolarHBondContact O-N 2.92Å; P133-K136 PolarHBondContact O-N 3.25Å
134	N	98.3	Very high	97.7	Very high	59 Å²	59	51.6 Å²	51.6	32%	0.316	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-65.7	-25.7	177.2	-68.1	-14.4	0	0	0	113.4	H132 K136 K137 K138 D307 S309	H132-N134 PolarHBondContact CE1-ND2 3.29Å; H132-N134 WeakPolarHBondContact ND1-CB 3.29Å; H132-N134 PolarHBondContact ND1-N 2.86Å; H132-N134 PolarHBondContact O-N 2.85Å; N134-K136 PolarHBondContact O-N 3.12Å; N134-K137 PolarHBondContact O-N 3.35Å; N134-K138 PolarHBondContact O-N 3.44Å; N134-D307 PolarHBondContact ND2-OD1 3.44Å; N134-S309 WeakPolarHBondContact CB-OG 3.38Å
135	C	98.4	Very high	97.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-60.4	-31.6	179.1	-65.7	0	0	0	0	112.7	H75 R131 H132 P133 K137 K138 C365	H75-C135 PolarHBondContact CE1-O 3.38Å; H75-C135 VanDerWaalsContact CE1-O 3.31Å; R131-C135 HydrophobicContact CB-CB 3.96Å; H132-C135 VanDerWaalsContact O-CB 3.24Å; H132-C135 WeakPolarHBondContact O-CB 3.47Å; H132-C135 PolarHBondContact O-N 3.33Å; P133-C135 VanDerWaalsContact C-N 3.27Å; P133-C135 PolarHBondContact O-N 2.92Å; C135-K137 PolarHBondContact O-N 3.45Å; C135-K138 PolarHBondContact O-N 3.21Å; C135-C365 WeakPolarHBondContact CA-SG 3.24Å; C135-C365 HydrophobicContact CB-CB 3.68Å; C135-C365 WeakPolarHBondContact CB-SG 3.27Å; C135-C365 WeakPolarHBondContact SG-CA 3.24Å; C135-C365 WeakPolarHBondContact SG-CB 3.28Å; C135-C365 CovalentContact SG-SG 2.05Å; C135-C365 PolarHBondContact SG-SG 3.38Å
136	K	97	Very high	97.7	Very high	104 Å²	104	52.8 Å²	52.8	45%	0.452	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-66.6	-16.6	176.8	-61.7	178.6	179.2	179.1	0	113.2	D129 P133 N134	D129-K136 WeakPolarHBondContact OD2-CE 3.22Å; D129-K136 IonicContact OD2-NZ 3.4Å; P133-K136 PolarHBondContact O-N 3.25Å; N134-K136 PolarHBondContact O-N 3.12Å
137	K	96.5	Very high	97.7	Very high	164 Å²	164	52.8 Å²	52.8	71%	0.713	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-106.8	-6.4	-178.3	-55.2	178.2	-175	174	0	112.7	N134 C135	N134-K137 PolarHBondContact O-N 3.35Å; C135-K137 PolarHBondContact O-N 3.45Å
138	K	96.4	Very high	97.7	Very high	34 Å²	34	52.1 Å²	52.1	15%	0.148	26%	0.257	C	S	.	.			trans	-74	138.4	-177.8	-70.1	-158	-169	-71.5	0	110.8	N134 C135 Y140 D307 S309 E310 C365	N134-K138 PolarHBondContact O-N 3.44Å; C135-K138 PolarHBondContact O-N 3.21Å; K138-Y140 HydrophobicContact CB-CE1 4.37Å; K138-Y140 HydrophobicContact CB-CE2 4.34Å; K138-D307 IonicContact NZ-OD2 3.75Å; K138-D307 PolarHBondContact NZ-OD2 3.48Å; K138-S309 WeakPolarHBondContact CE-O 3.23Å; K138-S309 WeakPolarHBondContact CE-OG 3.36Å; K138-S309 PolarHBondContact NZ-OG 3.33Å; K138-S309 VanDerWaalsContact NZ-OG 3.11Å; K138-E310 IonicContact NZ-OE1 2.79Å; K138-E310 PolarHBondContact NZ-OE1 2.91Å; K138-C365 VanDerWaalsContact CE-SG 3.55Å
139	L	97	Very high	97.8	Very high	48 Å²	48	50.7 Å²	50.7	25%	0.251	25%	0.248	S	C	.	.			trans	-114.2	139.9	174.3	-54	178.6	0	0	0	108.6	R71 D73	R71-L139 HydrophobicContact CB-CB 3.94Å; D73-L139 HydrophobicContact CB-CD2 3.58Å
140	Y	97.3	Very high	97.8	Very high	13 Å²	13	48.2 Å²	48.2	5%	0.051	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	165.1	-178.8	-53.9	-73.4	0	0	0	109.8	R71 K72 K138 E142 P248 P249 D252	R71-Y140 CarbonylContact C-O 3.51Å; R71-Y140 WeakPolarHBondContact CA-O 3.16Å; R71-Y140 WeakPolarHBondContact CB-O 3.47Å; K72-Y140 PolarHBondContact N-O 3.47Å; K72-Y140 PolarHBondContact O-N 3.17Å; K138-Y140 HydrophobicContact CB-CE1 4.37Å; K138-Y140 HydrophobicContact CB-CE2 4.34Å; Y140-E142 PolarHBondContact O-N 2.96Å; Y140-P248 HydrophobicContact CD2-CB 3.96Å; Y140-P248 HydrophobicContact CG-CB 4.39Å; Y140-P249 HydrophobicContact CD1-CB 4.47Å; Y140-P249 HydrophobicContact CE1-CB 3.65Å; Y140-P249 HydrophobicContact CE2-CB 4.38Å; Y140-P249 HydrophobicContact CE2-CG 4.45Å; Y140-D252 HydrophobicContact CD1-CB 3.8Å; Y140-D252 HydrophobicContact CG-CB 4.26Å
141	S	96.9	Very high	97.8	Very high	18 Å²	18	45.4 Å²	45.4	13%	0.126	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.8	139.8	175.2	179.6	0	0	0	0	111	W74 K143 L144 D252	W74-S141 PolarHBondContact NE1-O 2.75Å; S141-K143 VanDerWaalsContact C-N 3.27Å; S141-K143 WeakPolarHBondContact CB-O 3.32Å; S141-K143 PolarHBondContact OG-N 2.9Å; S141-K143 PolarHBondContact OG-O 2.83Å; S141-L144 WeakPolarHBondContact O-CG 3.45Å; S141-D252 WeakPolarHBondContact CB-OD1 3.36Å; S141-D252 PolarHBondContact N-OD1 3.26Å
142	E	95.8	Very high	97.8	Very high	78 Å²	78	45.1 Å²	45.1	36%	0.364	22%	0.22	S	C	.	.	S	Bend	trans	-67.7	-31.7	173.2	-176	178.6	-166.8	0	0	111.3	R70 K72 W74 Y140	R70-E142 HydrophobicContact CB-CB 4.29Å; R70-E142 WeakPolarHBondContact CB-OE2 3.39Å; R70-E142 IonicContact NE-OE2 3.6Å; R70-E142 IonicContact NH1-OE2 2.83Å; R70-E142 WeakPolarHBondContact O-CB 2.89Å; R70-E142 PolarHBondContact O-N 3Å; K72-E142 HydrophobicContact CB-CB 4.25Å; K72-E142 HydrophobicContact CB-CG 4.45Å; W74-E142 WeakPolarHBondContact CZ2-O 3.48Å; Y140-E142 PolarHBondContact O-N 2.96Å
143	K	96.1	Very high	97.8	Very high	180 Å²	180	42.4 Å²	42.4	78%	0.783	21%	0.207	S	C	*	.	S	Bend	trans	-104.9	111.4	175.3	-65	-174.5	-179.3	-177.6	0	109.1	S141	S141-K143 VanDerWaalsContact C-N 3.27Å; S141-K143 WeakPolarHBondContact CB-O 3.32Å; S141-K143 PolarHBondContact OG-N 2.9Å; S141-K143 PolarHBondContact OG-O 2.83Å
144	L	98.3	Very high	97.8	Very high	23 Å²	23	39.8 Å²	39.8	12%	0.12	19%	0.188	C	C	.	.			trans	-120.9	147.8	178.3	-65.8	174.8	0	0	0	109.5	W74 S141 L176 P248 M251 D252	W74-L144 HydrophobicContact CZ2-CD1 3.81Å; W74-L144 HydrophobicContact CZ2-CG 4.27Å; S141-L144 WeakPolarHBondContact O-CG 3.45Å; L144-L176 HydrophobicContact CB-CD2 3.7Å; L144-L176 HydrophobicContact CD1-CD1 3.92Å; L144-L176 HydrophobicContact CD1-CD2 4.47Å; L144-P248 HydrophobicContact CD1-CB 4.01Å; L144-M251 HydrophobicContact CB-CB 4.12Å; L144-M251 HydrophobicContact CD1-CB 4.33Å; L144-M251 HydrophobicContact CD2-CB 4.31Å; L144-D252 VanDerWaalsContact CD2-CA 3.43Å; L144-D252 HydrophobicContact CD2-CB 3.75Å
145	P	98.6	Very high	97.7	Very high	19 Å²	19	38.2 Å²	38.2	12%	0.123	18%	0.179	C	C	.	.			trans	-64.2	144.7	173.2	28.5	-34.9	0	0	0	110.1	E231 V232 M251 A255	P145-E231 WeakPolarHBondContact CA-OE2 3.39Å; P145-E231 HydrophobicContact CB-CB 3.87Å; P145-V232 HydrophobicContact CB-CG2 3.99Å; P145-V232 HydrophobicContact CG-CG2 3.87Å; P145-M251 HydrophobicContact CG-CB 4.33Å; P145-A255 HydrophobicContact CG-CB 4.42Å
146	N	98.8	Very high	97.7	Very high	54 Å²	54	38.3 Å²	38.3	29%	0.289	18%	0.179	S	C	.	.			trans	-77.1	161.7	171.3	64.9	45.7	0	0	0	111.2	L176 A178 G230 E231 V232	N146-L176 CarbonylContact C-O 3.52Å; N146-L176 VanDerWaalsContact CA-O 3.31Å; N146-L176 WeakPolarHBondContact CA-O 3.11Å; N146-A178 HydrophobicContact CB-CB 4.36Å; N146-G230 WeakPolarHBondContact OD1-CA 3.27Å; N146-E231 PolarHBondContact N-OE2 3.31Å; N146-E231 PolarHBondContact O-N 2.83Å; N146-E231 PolarHBondContact OD1-N 3.22Å; N146-V232 PolarHBondContact O-N 2.89Å
147	T	98.9	Very high	97.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.5	180	-171.5	0	0	0	0	113.9	I149 L176 A178 V232 T234 L247 M251	T147-I149 HydrophobicContact CG2-CD1 4.38Å; T147-I149 HydrophobicContact CG2-CG1 3.94Å; T147-L176 PolarHBondContact N-O 3.32Å; T147-A178 WeakPolarHBondContact O-CB 3.49Å; T147-A178 PolarHBondContact O-N 3.23Å; T147-V232 CarbonylContact C-O 3.54Å; T147-V232 WeakPolarHBondContact CA-O 3.44Å; T147-V232 WeakPolarHBondContact CB-O 3.13Å; T147-V232 PolarHBondContact OG1-O 3.49Å; T147-T234 PolarHBondContact OG1-N 3.2Å; T147-T234 PolarHBondContact OG1-OG1 2.74Å; T147-L247 HydrophobicContact CG2-CD1 3.89Å; T147-L247 HydrophobicContact CG2-CD2 4.04Å; T147-M251 HydrophobicContact CG2-SD 4.1Å
148	S	98.9	Very high	97.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	118.9	160.9	-63.2	0	0	0	0	109	E179 T229 G230 V232 T234	S148-E179 WeakPolarHBondContact CA-O 3.37Å; S148-E179 VanDerWaalsContact OG-CG 3.31Å; S148-E179 WeakPolarHBondContact OG-CG 3.43Å; S148-E179 PolarHBondContact OG-OE1 3.16Å; S148-T229 PolarHBondContact OG-N 2.8Å; S148-G230 PolarHBondContact OG-N 2.84Å; S148-V232 PolarHBondContact N-O 3.05Å; S148-T234 PolarHBondContact O-N 2.8Å
149	I	98.9	Very high	97.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	118.7	179.2	-57.5	175.3	0	0	0	108.4	T147 I151 V168 I177 E179 I180 I181 T234 L236 W246	T147-I149 HydrophobicContact CG2-CD1 4.38Å; T147-I149 HydrophobicContact CG2-CG1 3.94Å; I149-I151 HydrophobicContact CG2-CG1 4.33Å; I149-V168 HydrophobicContact CD1-CG1 3.31Å; I149-I177 HydrophobicContact CD1-CG1 4.22Å; I149-E179 PolarHBondContact N-O 2.89Å; I149-I180 HydrophobicContact CB-CG1 4.37Å; I149-I180 CarbonylContact O-C 3.52Å; I149-I180 WeakPolarHBondContact O-CA 3.44Å; I149-I181 PolarHBondContact O-N 2.61Å; I149-T234 CarbonylContact C-O 3.59Å; I149-T234 VanDerWaalsContact CA-O 3.29Å; I149-T234 WeakPolarHBondContact CA-O 3.43Å; I149-L236 HydrophobicContact CG2-CD1 3.89Å; I149-L236 HydrophobicContact CG2-CG 4.25Å; I149-W246 HydrophobicContact CD1-CH2 4.48Å; I149-W246 HydrophobicContact CD1-CZ2 4.23Å
150	I	98.9	Very high	98	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.9	-177.1	-59.8	164.9	0	0	0	109.2	I181 V183 A225 A228 I233 T234 F235 L236	I150-I181 WeakPolarHBondContact CA-O 3.29Å; I150-I181 HydrophobicContact CG1-CB 4.49Å; I150-I181 HydrophobicContact CG1-CD1 4.34Å; I150-V183 HydrophobicContact CG2-CG2 3.86Å; I150-A225 HydrophobicContact CD1-CB 4.2Å; I150-A225 VanDerWaalsContact CD1-N 3.28Å; I150-A228 HydrophobicContact CD1-CB 4.46Å; I150-I233 HydrophobicContact CD1-CG2 3.4Å; I150-I233 VanDerWaalsContact CD1-CG2 3.4Å; I150-I233 HydrophobicContact CG1-CG2 4.31Å; I150-T234 PolarHBondContact N-O 2.61Å; I150-F235 HydrophobicContact CB-CD1 3.82Å; I150-F235 HydrophobicContact CB-CE1 3.93Å; I150-F235 HydrophobicContact CD1-CD1 4.24Å; I150-F235 HydrophobicContact CD1-CE1 3.6Å; I150-F235 HydrophobicContact CD1-CZ 3.98Å; I150-F235 HydrophobicContact CG1-CE1 4.42Å; I150-F235 HydrophobicContact CG2-CD1 3.98Å; I150-F235 HydrophobicContact CG2-CE1 3.9Å; I150-L236 PolarHBondContact O-N 2.91Å
151	I	98.9	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	96.2	179.4	-58	169.4	0	0	0	108.4	I149 L161 T164 V165 I180 I181 L182 V183 L236	I149-I151 HydrophobicContact CG2-CG1 4.33Å; I151-L161 HydrophobicContact CG2-CD1 4.34Å; I151-T164 HydrophobicContact CD1-CG2 3.96Å; I151-V165 HydrophobicContact CD1-CG2 4.32Å; I151-I180 HydrophobicContact CD1-CG2 3.99Å; I151-I181 PolarHBondContact N-O 2.97Å; I151-L182 HydrophobicContact CB-CD2 3.82Å; I151-L182 HydrophobicContact CD1-CD2 3.79Å; I151-L182 HydrophobicContact CG1-CD2 4.28Å; I151-L182 HydrophobicContact CG2-CD2 4.34Å; I151-L182 WeakPolarHBondContact O-CA 3.26Å; I151-V183 PolarHBondContact O-N 3.36Å; I151-L236 WeakPolarHBondContact CA-O 3.49Å; I151-L236 HydrophobicContact CG1-CB 4.16Å
152	P	98.5	Very high	98.1	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.032	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	140.4	171.5	33.3	-35.4	0	0	0	110.1	V183 L217 T220 R221 L236 S238	P152-V183 WeakPolarHBondContact CA-O 3.41Å; P152-L217 HydrophobicContact CB-CD1 4.02Å; P152-L217 HydrophobicContact CG-CD1 3.57Å; P152-T220 HydrophobicContact CB-CG2 3.58Å; P152-R221 HydrophobicContact CB-CG 4.3Å; P152-R221 HydrophobicContact CG-CG 3.81Å; P152-L236 WeakPolarHBondContact CD-O 3.39Å; P152-S238 PolarHBondContact O-OG 2.85Å
153	F	98.3	Very high	98.3	Very high	5 Å²	5	20.6 Å²	20.6	2%	0.022	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	148.9	175.2	71.7	-85.8	0	0	0	111.8	E156 L161 L182 V183 D184 D185 L192 L196 S238	F153-E156 HydrophobicContact CB-CB 4.22Å; F153-L161 HydrophobicContact CB-CD1 4.45Å; F153-L161 HydrophobicContact CD1-CD1 4.48Å; F153-L161 HydrophobicContact CD2-CD2 4.27Å; F153-L161 HydrophobicContact CE2-CD2 4.37Å; F153-L161 HydrophobicContact CG-CD1 4.45Å; F153-L161 HydrophobicContact CG-CD2 4.36Å; F153-L182 HydrophobicContact CD1-CB 4.3Å; F153-L182 HydrophobicContact CE1-CB 3.79Å; F153-V183 WeakPolarHBondContact CD1-O 3.43Å; F153-V183 PolarHBondContact N-O 2.83Å; F153-D184 HydrophobicContact CE1-CB 3.88Å; F153-D184 HydrophobicContact CE2-CB 3.87Å; F153-D184 HydrophobicContact CZ-CB 3.42Å; F153-D184 VanDerWaalsContact CZ-CB 3.42Å; F153-D185 PolarHBondContact O-N 3.4Å; F153-L192 HydrophobicContact CD2-CD1 4.08Å; F153-L192 HydrophobicContact CD2-CD2 4.4Å; F153-L192 HydrophobicContact CE2-CB 4.19Å; F153-L192 HydrophobicContact CE2-CD1 4Å; F153-L192 HydrophobicContact CE2-CD2 4.06Å; F153-L192 HydrophobicContact CE2-CG 4.29Å; F153-L196 HydrophobicContact CE2-CD2 4.16Å; F153-L196 HydrophobicContact CZ-CD2 3.7Å; F153-S238 WeakPolarHBondContact CB-OG 3.29Å
154	H	96.9	Very high	98.4	Very high	32 Å²	32	12.1 Å²	12.1	15%	0.148	6%	0.06	C	C	.	.	S	Bend	trans	-142.3	117.9	171	174.1	75.1	0	0	0	108.2	E156 D185 F186 S187 R214	H154-E156 PolarHBondContact O-N 2.76Å; H154-E156 VanDerWaalsContact O-N 3.09Å; H154-D185 HydrophobicContact CB-CB 4.21Å; H154-D185 PolarHBondContact ND1-O 2.86Å; H154-F186 PolarHBondContact CE1-O 3.47Å; H154-S187 WeakPolarHBondContact CA-OG 3.34Å; H154-R214 PolarHBondContact CD2-NH1 3.49Å; H154-R214 PolarHBondContact CD2-NH2 2.86Å; H154-R214 PolarHBondContact CE1-NH1 3.1Å; H154-R214 PolarHBondContact ND1-NH1 3.37Å; H154-R214 PolarHBondContact NE2-NH1 3.29Å
155	N	96.8	Very high	98.4	Very high	25 Å²	25	11 Å²	11	13%	0.134	5%	0.054	C	C	.	.	S	Bend	trans	51.8	32.5	178	-73.5	-7.1	0	0	0	114.1	S187 D188 K189	N155-S187 PolarHBondContact N-OG 3.02Å; N155-S187 WeakPolarHBondContact OD1-CA 3.46Å; N155-S187 VanDerWaalsContact OD1-CB 3.24Å; N155-S187 WeakPolarHBondContact OD1-CB 3.43Å; N155-D188 PolarHBondContact ND2-OD1 2.77Å; N155-D188 PolarHBondContact OD1-N 3.48Å; N155-D188 PolarHBondContact OD1-OD1 2.75Å; N155-D188 VanDerWaalsContact OD1-OD1 3.05Å; N155-K189 HydrophobicContact CB-CG 4.07Å; N155-K189 PolarHBondContact OD1-N 2.8Å
156	E	97.8	Very high	98.5	Very high	2 Å²	2	11 Å²	11	1%	0.009	5%	0.053	C	C	.	.			trans	-74.3	144.9	-179.3	-166.3	67.3	-92.5	0	0	112	F113 F153 H154 L161 H191 S238 H239 R373	F113-E156 WeakPolarHBondContact CE1-OE1 3.33Å; F113-E156 WeakPolarHBondContact CZ-OE1 3.39Å; F153-E156 HydrophobicContact CB-CB 4.22Å; H154-E156 PolarHBondContact O-N 2.76Å; H154-E156 VanDerWaalsContact O-N 3.09Å; E156-L161 HydrophobicContact CG-CB 4.27Å; E156-H191 PolarHBondContact O-CE1 3.2Å; E156-H191 VanDerWaalsContact O-CE1 3.32Å; E156-S238 PolarHBondContact OE2-OG 3.02Å; E156-S238 VanDerWaalsContact OE2-OG 3.1Å; E156-H239 IonicContact OE2-CE1 3.05Å; E156-H239 PolarHBondContact OE2-CE1 3.17Å; E156-H239 IonicContact OE2-CG 3.29Å; E156-H239 IonicContact OE2-ND1 2.8Å; E156-H239 PolarHBondContact OE2-ND1 2.94Å; E156-R373 IonicContact OE1-CZ 3.48Å; E156-R373 IonicContact OE1-NH1 3.28Å; E156-R373 PolarHBondContact OE1-NH1 3.11Å; E156-R373 IonicContact OE1-NH2 2.79Å; E156-R373 PolarHBondContact OE1-NH2 3.23Å; E156-R373 IonicContact OE2-CZ 3.92Å; E156-R373 IonicContact OE2-NH2 2.96Å; E156-R373 PolarHBondContact OE2-NH2 3.39Å
157	G	97.4	Very high	98.5	Very high	3 Å²	3	8.6 Å²	8.6	3%	0.031	4%	0.04	C	C	.	.			trans	-54.5	138.6	172.7	0	0	0	0	0	113.1	N111 S159 S160 L161	N111-G157 WeakPolarHBondContact OD1-CA 3.46Å; N111-G157 PolarHBondContact OD1-N 3.34Å; G157-S159 PolarHBondContact O-N 3.21Å; G157-S160 PolarHBondContact O-N 2.87Å; G157-S160 PolarHBondContact O-OG 2.71Å; G157-L161 WeakPolarHBondContact O-CB 2.96Å; G157-L161 PolarHBondContact O-N 2.67Å
158	W	98.5	Very high	98.4	Very high	74 Å²	74	8.6 Å²	8.6	28%	0.28	4%	0.04	S	C	.	.	H	α-helix	trans	-56.4	-53.5	-177.7	175.2	-97.8	0	0	0	112.6	S160 L161 L162 H191 A195 L196 Y199	W158-S160 PolarHBondContact O-N 3.39Å; W158-L161 PolarHBondContact O-N 2.88Å; W158-L162 HydrophobicContact CD2-CD1 4Å; W158-L162 HydrophobicContact CD2-CD2 4.23Å; W158-L162 VanDerWaalsContact CE2-CD2 3.5Å; W158-L162 HydrophobicContact CE3-CD1 4.14Å; W158-L162 HydrophobicContact CH2-CD1 4.44Å; W158-L162 HydrophobicContact CH2-CD2 4.48Å; W158-L162 HydrophobicContact CZ2-CD1 4.29Å; W158-L162 HydrophobicContact CZ2-CD2 3.66Å; W158-L162 HydrophobicContact CZ3-CD1 4.35Å; W158-L162 WeakPolarHBondContact O-CB 3.32Å; W158-L162 WeakPolarHBondContact O-CD1 3.36Å; W158-L162 PolarHBondContact O-N 3.44Å; W158-H191 HydrophobicContact CE3-CB 4.09Å; W158-H191 WeakPolarHBondContact CZ3-O 3.32Å; W158-A195 HydrophobicContact CH2-CB 4.41Å; W158-A195 HydrophobicContact CZ3-CB 4.33Å; W158-L196 HydrophobicContact CE3-CD1 4.39Å; W158-L196 HydrophobicContact CZ3-CB 4.1Å; W158-L196 HydrophobicContact CZ3-CD1 3.89Å; W158-Y199 HydrophobicContact CH2-CD2 4.08Å; W158-Y199 HydrophobicContact CH2-CG 4.14Å; W158-Y199 AromaticContact CZ2-CD2 3.66Å; W158-Y199 HydrophobicContact CZ2-CD2 3.66Å; W158-Y199 HydrophobicContact CZ2-CE2 4.36Å; W158-Y199 HydrophobicContact CZ2-CG 4.14Å
159	S	98.6	Very high	98.4	Very high	5 Å²	5	10.3 Å²	10.3	4%	0.035	5%	0.049	C	C	.	.	H	α-helix	trans	-66.3	-39	-175.9	54.2	0	0	0	0	113.1	S118 D119 L123 G157 R163	S118-S159 VanDerWaalsContact CB-OG 3.25Å; S118-S159 WeakPolarHBondContact CB-OG 3.41Å; S118-S159 PolarHBondContact OG-OG 2.67Å; D119-S159 WeakPolarHBondContact OD1-CB 3.29Å; D119-S159 PolarHBondContact OD1-OG 3.09Å; L123-S159 VanDerWaalsContact CD2-O 3.27Å; L123-S159 WeakPolarHBondContact CD2-O 3.41Å; G157-S159 PolarHBondContact O-N 3.21Å; S159-R163 WeakPolarHBondContact O-CB 3.49Å; S159-R163 PolarHBondContact O-N 2.8Å
160	S	98.4	Very high	98.4	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.021	7%	0.067	C	C	.	.	H	α-helix	trans	-64.5	-48.1	176.1	39.1	0	0	0	0	111.8	F113 G157 W158 L162 R163 T164	F113-S160 WeakPolarHBondContact CZ-OG 3.43Å; G157-S160 PolarHBondContact O-N 2.87Å; G157-S160 PolarHBondContact O-OG 2.71Å; W158-S160 PolarHBondContact O-N 3.39Å; S160-L162 PolarHBondContact O-N 3.16Å; S160-R163 PolarHBondContact O-N 3.09Å; S160-T164 PolarHBondContact O-N 3.5Å; S160-T164 PolarHBondContact O-OG1 3.31Å
161	L	98.8	Very high	98.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.6	-48.5	179.4	176.2	62.3	0	0	0	111.5	I151 F153 E156 G157 W158 R163 T164 V165 L192 L196 S238	I151-L161 HydrophobicContact CG2-CD1 4.34Å; F153-L161 HydrophobicContact CB-CD1 4.45Å; F153-L161 HydrophobicContact CD1-CD1 4.48Å; F153-L161 HydrophobicContact CD2-CD2 4.27Å; F153-L161 HydrophobicContact CE2-CD2 4.37Å; F153-L161 HydrophobicContact CG-CD1 4.45Å; F153-L161 HydrophobicContact CG-CD2 4.36Å; E156-L161 HydrophobicContact CG-CB 4.27Å; G157-L161 WeakPolarHBondContact O-CB 2.96Å; G157-L161 PolarHBondContact O-N 2.67Å; W158-L161 PolarHBondContact O-N 2.88Å; L161-R163 VanDerWaalsContact C-N 3.34Å; L161-R163 PolarHBondContact O-N 2.67Å; L161-T164 WeakPolarHBondContact O-CB 3.08Å; L161-T164 PolarHBondContact O-N 3.31Å; L161-V165 PolarHBondContact O-N 3.5Å; L161-L192 HydrophobicContact CD2-CD2 3.8Å; L161-L196 HydrophobicContact CD2-CD1 4.02Å; L161-L196 HydrophobicContact CD2-CD2 4.02Å; L161-S238 WeakPolarHBondContact CA-O 3.38Å
162	L	98.8	Very high	98.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.8	-42.1	178.8	-92	61.2	0	0	0	111.4	L123 W158 S160 T164 V165 H166 L196 Y199 M200	L123-L162 HydrophobicContact CD1-CB 4.03Å; L123-L162 HydrophobicContact CD1-CD2 3.87Å; L123-L162 HydrophobicContact CD2-CB 3.89Å; W158-L162 HydrophobicContact CD2-CD1 4Å; W158-L162 HydrophobicContact CD2-CD2 4.23Å; W158-L162 VanDerWaalsContact CE2-CD2 3.5Å; W158-L162 HydrophobicContact CE3-CD1 4.14Å; W158-L162 HydrophobicContact CH2-CD1 4.44Å; W158-L162 HydrophobicContact CH2-CD2 4.48Å; W158-L162 HydrophobicContact CZ2-CD1 4.29Å; W158-L162 HydrophobicContact CZ2-CD2 3.66Å; W158-L162 HydrophobicContact CZ3-CD1 4.35Å; W158-L162 WeakPolarHBondContact O-CB 3.32Å; W158-L162 WeakPolarHBondContact O-CD1 3.36Å; W158-L162 PolarHBondContact O-N 3.44Å; S160-L162 PolarHBondContact O-N 3.16Å; L162-T164 VanDerWaalsContact C-N 3.27Å; L162-T164 PolarHBondContact O-N 2.96Å; L162-V165 PolarHBondContact O-N 3.25Å; L162-V165 VanDerWaalsContact O-N 3.15Å; L162-H166 WeakPolarHBondContact O-CB 3.33Å; L162-H166 PolarHBondContact O-CD2 3.03Å; L162-H166 PolarHBondContact O-N 3.12Å; L162-L196 HydrophobicContact CD1-CD1 3.91Å; L162-Y199 HydrophobicContact CD2-CD1 4.01Å; L162-Y199 HydrophobicContact CD2-CD2 3.82Å; L162-Y199 HydrophobicContact CD2-CE1 3.65Å; L162-Y199 HydrophobicContact CD2-CE2 3.48Å; L162-Y199 VanDerWaalsContact CD2-CE2 3.48Å; L162-Y199 HydrophobicContact CD2-CG 4.11Å; L162-Y199 HydrophobicContact CG-CD1 4.12Å; L162-Y199 HydrophobicContact CG-CE1 3.83Å; L162-M200 HydrophobicContact CD1-CE 3.7Å; L162-M200 HydrophobicContact CG-CE 4.11Å
163	R	98.8	Very high	98.3	Very high	3 Å²	3	15.8 Å²	15.8	1%	0.011	8%	0.078	C	C	.	.	H	α-helix	trans	-61.7	-36.4	179	-165.3	-171.8	-40.3	-74.1	-4.2	111.8	S118 I121 S122 L123 S159 S160 L161 S167 E241	S118-R163 PolarHBondContact O-NH2 3Å; S118-R163 PolarHBondContact OG-NH2 2.78Å; I121-R163 VanDerWaalsContact C-NH1 3.33Å; I121-R163 PolarHBondContact O-NH1 2.67Å; I121-R163 PolarHBondContact O-NH2 2.88Å; S122-R163 PolarHBondContact O-NH1 3.1Å; L123-R163 HydrophobicContact CD2-CB 4.23Å; L123-R163 WeakPolarHBondContact O-CG 3.47Å; S159-R163 WeakPolarHBondContact O-CB 3.49Å; S159-R163 PolarHBondContact O-N 2.8Å; S160-R163 PolarHBondContact O-N 3.09Å; L161-R163 VanDerWaalsContact C-N 3.34Å; L161-R163 PolarHBondContact O-N 2.67Å; R163-S167 VanDerWaalsContact O-CB 3.32Å; R163-S167 WeakPolarHBondContact O-CB 3.22Å; R163-S167 PolarHBondContact O-N 3.34Å; R163-S167 PolarHBondContact O-OG 3.43Å; R163-E241 WeakPolarHBondContact CD-OE1 3.15Å; R163-E241 HydrophobicContact CG-CG 4.07Å
164	T	98.9	Very high	98.3	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-59.4	-52.7	170.9	-58.1	0	0	0	0	111.7	I151 S160 L161 L162 H166 S167 V168 S238 H239 C240	I151-T164 HydrophobicContact CD1-CG2 3.96Å; S160-T164 PolarHBondContact O-N 3.5Å; S160-T164 PolarHBondContact O-OG1 3.31Å; L161-T164 WeakPolarHBondContact O-CB 3.08Å; L161-T164 PolarHBondContact O-N 3.31Å; L162-T164 VanDerWaalsContact C-N 3.27Å; L162-T164 PolarHBondContact O-N 2.96Å; T164-H166 PolarHBondContact O-N 2.82Å; T164-S167 PolarHBondContact O-N 2.86Å; T164-S167 PolarHBondContact O-OG 2.93Å; T164-V168 WeakPolarHBondContact O-CG2 3.32Å; T164-V168 PolarHBondContact O-N 2.92Å; T164-V168 VanDerWaalsContact O-N 3.1Å; T164-S238 PolarHBondContact OG1-O 3.11Å; T164-H239 PolarHBondContact OG1-N 2.99Å; T164-C240 WeakPolarHBondContact CA-O 3Å; T164-C240 VanDerWaalsContact CB-O 3.3Å; T164-C240 WeakPolarHBondContact CB-O 3.18Å; T164-C240 HydrophobicContact CG2-CB 4.08Å; T164-C240 PolarHBondContact OG1-N 2.8Å; T164-C240 PolarHBondContact OG1-O 2.77Å
165	V	98.8	Very high	98.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.8	-45.6	179.7	178.9	0	0	0	0	111.7	I151 L161 L162 V168 L169 L182 M200 L203 V206	I151-V165 HydrophobicContact CD1-CG2 4.32Å; L161-V165 PolarHBondContact O-N 3.5Å; L162-V165 PolarHBondContact O-N 3.25Å; L162-V165 VanDerWaalsContact O-N 3.15Å; V165-V168 PolarHBondContact O-N 3.42Å; V165-L169 HydrophobicContact CG1-CD1 3.89Å; V165-L169 HydrophobicContact CG1-CG 4.42Å; V165-L169 WeakPolarHBondContact O-CG 3.41Å; V165-L169 PolarHBondContact O-N 2.85Å; V165-L182 HydrophobicContact CG2-CD1 4.11Å; V165-L182 HydrophobicContact CG2-CD2 3.72Å; V165-M200 HydrophobicContact CG1-SD 4.28Å; V165-M200 HydrophobicContact CG2-CE 4.1Å; V165-L203 HydrophobicContact CG1-CD1 3.87Å; V165-V206 HydrophobicContact CG1-CG2 3.95Å
166	H	98.8	Very high	98.5	Very high	19 Å²	19	22.4 Å²	22.4	9%	0.088	12%	0.116	C	C	.	.	H	α-helix	trans	-62.8	-42.2	177.1	-85	-77.1	0	0	0	112.3	N124 L162 T164 V168 L169 N170 Y199	N124-H166 VanDerWaalsContact OD1-CB 3.3Å; N124-H166 WeakPolarHBondContact OD1-CB 3.33Å; N124-H166 VanDerWaalsContact OD1-CG 3.31Å; N124-H166 PolarHBondContact OD1-ND1 3.43Å; N124-H166 VanDerWaalsContact OD1-ND1 3.11Å; L162-H166 WeakPolarHBondContact O-CB 3.33Å; L162-H166 PolarHBondContact O-CD2 3.03Å; L162-H166 PolarHBondContact O-N 3.12Å; T164-H166 PolarHBondContact O-N 2.82Å; H166-V168 VanDerWaalsContact C-N 3.28Å; H166-V168 PolarHBondContact O-N 2.97Å; H166-L169 PolarHBondContact O-N 2.8Å; H166-N170 WeakPolarHBondContact O-CB 3.33Å; H166-N170 PolarHBondContact O-N 3.22Å; H166-N170 PolarHBondContact O-ND2 3.45Å; H166-N170 VanDerWaalsContact O-ND2 3.08Å; H166-Y199 AromaticContact NE2-CE1 3.76Å; H166-Y199 AromaticContact NE2-CZ 3.71Å; H166-Y199 PolarHBondContact NE2-OH 3.03Å
167	S	98.8	Very high	98.5	Very high	4 Å²	4	22.5 Å²	22.5	3%	0.028	12%	0.116	C	C	.	.	H	α-helix	trans	-60	-40.8	177	77.9	0	0	0	0	111.8	R163 T164 R171 A242	R163-S167 VanDerWaalsContact O-CB 3.32Å; R163-S167 WeakPolarHBondContact O-CB 3.22Å; R163-S167 PolarHBondContact O-N 3.34Å; R163-S167 PolarHBondContact O-OG 3.43Å; T164-S167 PolarHBondContact O-N 2.86Å; T164-S167 PolarHBondContact O-OG 2.93Å; S167-R171 WeakPolarHBondContact O-CB 3.38Å; S167-R171 PolarHBondContact O-N 2.96Å; S167-R171 VanDerWaalsContact O-N 3.11Å; S167-A242 PolarHBondContact OG-N 2.96Å
168	V	98.8	Very high	98.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.1	-50	177.5	171.8	0	0	0	0	110.6	I149 T164 V165 H166 N170 S172 I177 I180 L236 W246	I149-V168 HydrophobicContact CD1-CG1 3.31Å; T164-V168 WeakPolarHBondContact O-CG2 3.32Å; T164-V168 PolarHBondContact O-N 2.92Å; T164-V168 VanDerWaalsContact O-N 3.1Å; V165-V168 PolarHBondContact O-N 3.42Å; H166-V168 VanDerWaalsContact C-N 3.28Å; H166-V168 PolarHBondContact O-N 2.97Å; V168-N170 VanDerWaalsContact C-N 3.35Å; V168-N170 PolarHBondContact O-N 3.28Å; V168-S172 WeakPolarHBondContact O-CB 3.3Å; V168-S172 PolarHBondContact O-N 2.87Å; V168-S172 VanDerWaalsContact O-N 3.12Å; V168-S172 PolarHBondContact O-OG 3.48Å; V168-I177 HydrophobicContact CG1-CD1 4.31Å; V168-I180 HydrophobicContact CB-CD1 4.28Å; V168-I180 HydrophobicContact CG1-CD1 3.58Å; V168-I180 HydrophobicContact CG1-CG1 4.26Å; V168-L236 HydrophobicContact CG2-CD1 3.49Å; V168-L236 VanDerWaalsContact CG2-CD1 3.49Å; V168-W246 HydrophobicContact CG2-CZ2 4.45Å
169	L	98.5	Very high	98.6	Very high	36 Å²	36	21.3 Å²	21.3	19%	0.188	12%	0.119	C	C	.	.	H	α-helix	trans	-63.7	-39.7	-178.5	-72.6	171.8	0	0	0	112.3	V165 H166 I180 L203 V206	V165-L169 HydrophobicContact CG1-CD1 3.89Å; V165-L169 HydrophobicContact CG1-CG 4.42Å; V165-L169 WeakPolarHBondContact O-CG 3.41Å; V165-L169 PolarHBondContact O-N 2.85Å; H166-L169 PolarHBondContact O-N 2.8Å; L169-I180 HydrophobicContact CD2-CD1 3.57Å; L169-I180 HydrophobicContact CG-CD1 3.82Å; L169-L203 HydrophobicContact CD1-CB 4.06Å; L169-L203 HydrophobicContact CD1-CD1 3.83Å; L169-L203 HydrophobicContact CD1-CD2 4.24Å; L169-L203 HydrophobicContact CD1-CG 4.28Å; L169-V206 HydrophobicContact CD1-CG2 4.11Å; L169-V206 HydrophobicContact CD2-CG2 4.47Å
170	N	98.1	Very high	98.6	Very high	71 Å²	71	21 Å²	21	38%	0.38	12%	0.117	S	C	.	.	H	α-helix	trans	-80.3	-25.1	-174.8	-66.3	-28.1	0	0	0	113.4	N124 H166 V168	N124-N170 PolarHBondContact OD1-ND2 2.96Å; H166-N170 WeakPolarHBondContact O-CB 3.33Å; H166-N170 PolarHBondContact O-N 3.22Å; H166-N170 PolarHBondContact O-ND2 3.45Å; H166-N170 VanDerWaalsContact O-ND2 3.08Å; V168-N170 VanDerWaalsContact C-N 3.35Å; V168-N170 PolarHBondContact O-N 3.28Å
171	R	98.4	Very high	98.6	Very high	23 Å²	23	20.9 Å²	20.9	9%	0.087	12%	0.116	C	C	.	.	H	α-helix	trans	-119.3	8	-171.5	-60.8	-178.4	178.9	107.7	10.8	114.7	D83 R125 S167 A242	D83-R171 IonicContact OD2-CZ 3.97Å; D83-R171 IonicContact OD2-NE 3.63Å; D83-R171 PolarHBondContact OD2-NE 3.06Å; D83-R171 IonicContact OD2-NH2 3.88Å; D83-R171 PolarHBondContact OD2-NH2 3.29Å; R125-R171 PolarHBondContact O-NH2 2.69Å; S167-R171 WeakPolarHBondContact O-CB 3.38Å; S167-R171 PolarHBondContact O-N 2.96Å; S167-R171 VanDerWaalsContact O-N 3.11Å; R171-A242 WeakPolarHBondContact CD-O 3.17Å; R171-A242 PolarHBondContact NH1-O 3.28Å
172	S	98.6	Very high	98.6	Very high	6 Å²	6	20.9 Å²	20.9	4%	0.042	12%	0.116	C	C	.	.	S	Bend	trans	-112	134.8	173.1	-48.7	0	0	0	0	109.5	V168 P174 I177 W246	V168-S172 WeakPolarHBondContact O-CB 3.3Å; V168-S172 PolarHBondContact O-N 2.87Å; V168-S172 VanDerWaalsContact O-N 3.12Å; V168-S172 PolarHBondContact O-OG 3.48Å; S172-P174 WeakPolarHBondContact O-CD 3.12Å; S172-I177 VanDerWaalsContact CB-CD1 3.48Å; S172-W246 PolarHBondContact OG-NE1 3.08Å
173	P	98.3	Very high	98.6	Very high	19 Å²	19	20.9 Å²	20.9	12%	0.123	12%	0.116	C	C	.	.			trans	-56.7	122.9	172.5	-23.8	33.9	0	0	0	110.1	W74 E175 L176 P248	W74-P173 HydrophobicContact CE3-CB 3.9Å; W74-P173 HydrophobicContact CE3-CG 3.59Å; W74-P173 HydrophobicContact CZ3-CB 3.69Å; W74-P173 HydrophobicContact CZ3-CG 3.89Å; P173-E175 HydrophobicContact CB-CG 4.4Å; P173-E175 PolarHBondContact O-N 3.24Å; P173-E175 VanDerWaalsContact O-N 3.12Å; P173-L176 HydrophobicContact CB-CD1 4.16Å; P173-L176 HydrophobicContact CB-CG 4.12Å; P173-L176 HydrophobicContact CG-CD1 4.01Å; P173-L176 PolarHBondContact O-N 3.44Å; P173-P248 HydrophobicContact CG-CG 3.99Å
174	P	97.9	Very high	98.6	Very high	84 Å²	84	20.8 Å²	20.8	55%	0.545	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-56.4	-33.7	-174	-28	35.3	0	0	0	113.1	S172 L176 I177 K205	S172-P174 WeakPolarHBondContact O-CD 3.12Å; P174-L176 PolarHBondContact O-N 2.79Å; P174-I177 PolarHBondContact O-N 3.39Å; P174-K205 PolarHBondContact O-NZ 2.89Å
175	E	97.9	Very high	98.5	Very high	111 Å²	111	21 Å²	21	52%	0.519	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-64	-23	177.9	62.5	-93.6	-141.7	0	0	114.2	K72 W74 P173	K72-E175 IonicContact NZ-OE1 3.71Å; W74-E175 HydrophobicContact CH2-CG 4.24Å; W74-E175 HydrophobicContact CZ3-CG 4.13Å; W74-E175 VanDerWaalsContact CZ3-OE1 3.27Å; W74-E175 WeakPolarHBondContact CZ3-OE1 3.44Å; P173-E175 HydrophobicContact CB-CG 4.4Å; P173-E175 PolarHBondContact O-N 3.24Å; P173-E175 VanDerWaalsContact O-N 3.12Å
176	L	98.6	Very high	98.5	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.031	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-89.7	-16	178.3	-59	-176.6	0	0	0	112.9	W74 L144 N146 T147 P173 P174 A178 L247 P248	W74-L176 HydrophobicContact CE3-CD1 4.4Å; W74-L176 HydrophobicContact CH2-CD1 4.22Å; W74-L176 HydrophobicContact CH2-CD2 4.09Å; W74-L176 HydrophobicContact CH2-CG 4.24Å; W74-L176 HydrophobicContact CZ3-CD1 4.04Å; W74-L176 HydrophobicContact CZ3-CG 4.2Å; L144-L176 HydrophobicContact CB-CD2 3.7Å; L144-L176 HydrophobicContact CD1-CD1 3.92Å; L144-L176 HydrophobicContact CD1-CD2 4.47Å; N146-L176 CarbonylContact C-O 3.52Å; N146-L176 VanDerWaalsContact CA-O 3.31Å; N146-L176 WeakPolarHBondContact CA-O 3.11Å; T147-L176 PolarHBondContact N-O 3.32Å; P173-L176 HydrophobicContact CB-CD1 4.16Å; P173-L176 HydrophobicContact CB-CG 4.12Å; P173-L176 HydrophobicContact CG-CD1 4.01Å; P173-L176 PolarHBondContact O-N 3.44Å; P174-L176 PolarHBondContact O-N 2.79Å; L176-A178 PolarHBondContact O-N 2.91Å; L176-L247 HydrophobicContact CB-CD2 3.89Å; L176-P248 HydrophobicContact CD1-CG 4.1Å
177	I	98.7	Very high	98.4	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.026	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	112.4	174.9	-60.1	168.4	0	0	0	108.6	I149 V168 S172 P174 I180 K205 L247	I149-I177 HydrophobicContact CD1-CG1 4.22Å; V168-I177 HydrophobicContact CG1-CD1 4.31Å; S172-I177 VanDerWaalsContact CB-CD1 3.48Å; P174-I177 PolarHBondContact O-N 3.39Å; I177-I180 HydrophobicContact CG2-CG1 3.98Å; I177-K205 HydrophobicContact CB-CD 4.23Å; I177-K205 HydrophobicContact CG2-CB 4.44Å; I177-K205 HydrophobicContact CG2-CD 4Å; I177-K205 WeakPolarHBondContact O-CD 3.31Å; I177-K205 PolarHBondContact O-NZ 3.49Å; I177-L247 HydrophobicContact CG1-CD2 4.49Å
178	A	98.8	Very high	98.2	Very high	34 Å²	34	30.4 Å²	30.4	28%	0.281	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-52.3	166.1	0	0	0	0	0	109.5	N146 T147 L176	N146-A178 HydrophobicContact CB-CB 4.36Å; T147-A178 WeakPolarHBondContact O-CB 3.49Å; T147-A178 PolarHBondContact O-N 3.23Å; L176-A178 PolarHBondContact O-N 2.91Å
179	E	98.7	Very high	98.1	Very high	17 Å²	17	33.1 Å²	33.1	8%	0.079	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	159.5	-178	59.6	-171.3	136	0	0	111.1	S148 I149 I181 K205 R207 T229	S148-E179 WeakPolarHBondContact CA-O 3.37Å; S148-E179 VanDerWaalsContact OG-CG 3.31Å; S148-E179 WeakPolarHBondContact OG-CG 3.43Å; S148-E179 PolarHBondContact OG-OE1 3.16Å; I149-E179 PolarHBondContact N-O 2.89Å; E179-I181 HydrophobicContact CG-CD1 4.16Å; E179-I181 HydrophobicContact CG-CG1 3.93Å; E179-K205 CarbonylContact C-O 3.57Å; E179-K205 WeakPolarHBondContact CA-O 3.47Å; E179-R207 IonicContact OE2-CZ 2.79Å; E179-R207 IonicContact OE2-NE 3.21Å; E179-R207 PolarHBondContact OE2-NE 2.94Å; E179-R207 IonicContact OE2-NH2 2.9Å; E179-R207 PolarHBondContact OE2-NH2 2.95Å; E179-T229 WeakPolarHBondContact OE1-CB 3.33Å; E179-T229 PolarHBondContact OE1-N 2.66Å; E179-T229 PolarHBondContact OE1-OG1 3.48Å
180	I	98.9	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.2	168.4	-55.4	176.9	0	0	0	107.2	I149 I151 V168 L169 I177 L182 K205 V206 R207	I149-I180 HydrophobicContact CB-CG1 4.37Å; I149-I180 CarbonylContact O-C 3.52Å; I149-I180 WeakPolarHBondContact O-CA 3.44Å; I151-I180 HydrophobicContact CD1-CG2 3.99Å; V168-I180 HydrophobicContact CB-CD1 4.28Å; V168-I180 HydrophobicContact CG1-CD1 3.58Å; V168-I180 HydrophobicContact CG1-CG1 4.26Å; L169-I180 HydrophobicContact CD2-CD1 3.57Å; L169-I180 HydrophobicContact CG-CD1 3.82Å; I177-I180 HydrophobicContact CG2-CG1 3.98Å; I180-L182 HydrophobicContact CG2-CD2 4.04Å; I180-K205 PolarHBondContact N-O 2.77Å; I180-V206 HydrophobicContact CB-CG2 4.26Å; I180-V206 HydrophobicContact CD1-CG2 4.23Å; I180-V206 WeakPolarHBondContact O-CA 3.43Å; I180-R207 PolarHBondContact O-N 2.83Å
181	I	98.9	Very high	98	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	106.3	-177.5	-48	173.3	0	0	0	108.3	I149 I150 I151 E179 V183 R207 L209 A227 A228	I149-I181 PolarHBondContact O-N 2.61Å; I150-I181 WeakPolarHBondContact CA-O 3.29Å; I150-I181 HydrophobicContact CG1-CB 4.49Å; I150-I181 HydrophobicContact CG1-CD1 4.34Å; I151-I181 PolarHBondContact N-O 2.97Å; E179-I181 HydrophobicContact CG-CD1 4.16Å; E179-I181 HydrophobicContact CG-CG1 3.93Å; I181-V183 HydrophobicContact CG2-CG2 3.87Å; I181-R207 VanDerWaalsContact CD1-NH2 3.26Å; I181-R207 HydrophobicContact CG1-CG 4.48Å; I181-L209 HydrophobicContact CG2-CB 4.18Å; I181-A227 HydrophobicContact CD1-CB 4.46Å; I181-A228 HydrophobicContact CD1-CB 4.23Å
182	L	98.9	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	118.9	170.1	-50.2	-174.5	0	0	0	108.1	I151 F153 V165 I180 M200 V206 R207 I208 L209	I151-L182 HydrophobicContact CB-CD2 3.82Å; I151-L182 HydrophobicContact CD1-CD2 3.79Å; I151-L182 HydrophobicContact CG1-CD2 4.28Å; I151-L182 HydrophobicContact CG2-CD2 4.34Å; I151-L182 WeakPolarHBondContact O-CA 3.26Å; F153-L182 HydrophobicContact CD1-CB 4.3Å; F153-L182 HydrophobicContact CE1-CB 3.79Å; V165-L182 HydrophobicContact CG2-CD1 4.11Å; V165-L182 HydrophobicContact CG2-CD2 3.72Å; I180-L182 HydrophobicContact CG2-CD2 4.04Å; L182-M200 HydrophobicContact CD1-CE 3.7Å; L182-M200 HydrophobicContact CD1-CG 3.98Å; L182-M200 HydrophobicContact CD1-SD 3.87Å; L182-V206 HydrophobicContact CD1-CG1 3.99Å; L182-V206 HydrophobicContact CG-CG1 4.06Å; L182-R207 PolarHBondContact N-O 3.18Å; L182-I208 HydrophobicContact CB-CG1 4.34Å; L182-I208 HydrophobicContact CD1-CG1 4.35Å; L182-I208 CarbonylContact O-C 3.55Å; L182-I208 WeakPolarHBondContact O-CA 3.31Å; L182-L209 PolarHBondContact O-N 3.06Å
183	V	98.8	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	103.8	-177.4	-163.5	0	0	0	0	109.5	I150 I151 P152 F153 I181 D185 L209 T220 L223	I150-V183 HydrophobicContact CG2-CG2 3.86Å; I151-V183 PolarHBondContact O-N 3.36Å; P152-V183 WeakPolarHBondContact CA-O 3.41Å; F153-V183 WeakPolarHBondContact CD1-O 3.43Å; F153-V183 PolarHBondContact N-O 2.83Å; I181-V183 HydrophobicContact CG2-CG2 3.87Å; V183-D185 PolarHBondContact O-N 2.95Å; V183-L209 CarbonylContact C-O 3.49Å; V183-L209 VanDerWaalsContact CA-O 3.29Å; V183-L209 WeakPolarHBondContact CA-O 3.34Å; V183-L209 HydrophobicContact CG1-CB 4.43Å; V183-L209 HydrophobicContact CG1-CD2 4.48Å; V183-L209 HydrophobicContact CG1-CG 4.43Å; V183-T220 HydrophobicContact CB-CG2 3.66Å; V183-T220 HydrophobicContact CG1-CG2 3.41Å; V183-T220 VanDerWaalsContact CG1-CG2 3.41Å; V183-L223 HydrophobicContact CG1-CD2 4.09Å; V183-L223 HydrophobicContact CG1-CG 4.49Å
184	D	98.8	Very high	97.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	108.1	176.6	-178.8	13.5	0	0	0	110	F153 F186 S187 K193 L209 R210 T211	F153-D184 HydrophobicContact CE1-CB 3.88Å; F153-D184 HydrophobicContact CE2-CB 3.87Å; F153-D184 HydrophobicContact CZ-CB 3.42Å; F153-D184 VanDerWaalsContact CZ-CB 3.42Å; D184-F186 PolarHBondContact O-N 3.16Å; D184-F186 VanDerWaalsContact O-N 3.08Å; D184-F186 PolarHBondContact OD1-N 3.45Å; D184-S187 WeakPolarHBondContact OD1-CB 3.39Å; D184-S187 PolarHBondContact OD1-N 2.73Å; D184-S187 PolarHBondContact OD1-OG 3.19Å; D184-K193 IonicContact OD2-NZ 3.26Å; D184-K193 PolarHBondContact OD2-NZ 3.49Å; D184-L209 PolarHBondContact N-O 3.17Å; D184-R210 HydrophobicContact CB-CB 4.25Å; D184-R210 HydrophobicContact CB-CG 3.93Å; D184-R210 IonicContact OD2-CZ 3.8Å; D184-R210 IonicContact OD2-NH1 2.68Å; D184-R210 PolarHBondContact OD2-NH1 2.65Å; D184-T211 PolarHBondContact O-N 3.23Å; D184-T211 PolarHBondContact O-OG1 3.34Å
185	D	97.6	Very high	98	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	21%	0.21	C	C	.	.			trans	-83.7	65.8	173.3	-175.3	21.6	0	0	0	110.7	F153 H154 V183 S187 T211 R214 E215 G216 T220	F153-D185 PolarHBondContact O-N 3.4Å; H154-D185 HydrophobicContact CB-CB 4.21Å; H154-D185 PolarHBondContact ND1-O 2.86Å; V183-D185 PolarHBondContact O-N 2.95Å; D185-S187 PolarHBondContact O-N 2.85Å; D185-T211 WeakPolarHBondContact CA-OG1 3.44Å; D185-R214 VanDerWaalsContact O-CD 3.3Å; D185-R214 WeakPolarHBondContact O-CD 3.18Å; D185-R214 IonicContact OD1-NE 3.19Å; D185-R214 VanDerWaalsContact OD2-CD 3.29Å; D185-R214 WeakPolarHBondContact OD2-CD 3.23Å; D185-R214 IonicContact OD2-CZ 3.56Å; D185-R214 IonicContact OD2-NE 3Å; D185-R214 PolarHBondContact OD2-NE 2.84Å; D185-R214 IonicContact OD2-NH2 2.74Å; D185-E215 PolarHBondContact OD1-N 3.38Å; D185-G216 PolarHBondContact OD1-N 3.02Å; D185-G216 VanDerWaalsContact OD2-CA 3.23Å; D185-G216 WeakPolarHBondContact OD2-CA 3.32Å; D185-G216 PolarHBondContact OD2-N 3.12Å; D185-T220 HydrophobicContact CB-CG2 3.89Å; D185-T220 VanDerWaalsContact CB-OG1 3.27Å; D185-T220 WeakPolarHBondContact CB-OG1 3.45Å; D185-T220 PolarHBondContact OD1-OG1 2.84Å
186	F	97	Very high	98	Very high	108 Å²	108	35.5 Å²	35.5	47%	0.474	19%	0.185	S	C	.	.	S	Bend	trans	55.8	49.5	173.1	-161	-109.8	0	0	0	113.7	H154 D184 T211 K212 K213 R214	H154-F186 PolarHBondContact CE1-O 3.47Å; D184-F186 PolarHBondContact O-N 3.16Å; D184-F186 VanDerWaalsContact O-N 3.08Å; D184-F186 PolarHBondContact OD1-N 3.45Å; F186-T211 PolarHBondContact N-OG1 3.28Å; F186-K212 WeakPolarHBondContact CE2-O 3.37Å; F186-K213 VanDerWaalsContact CB-C 3.42Å; F186-R214 HydrophobicContact CB-CB 4.34Å; F186-R214 HydrophobicContact CD1-CB 4.32Å
187	S	97.4	Very high	97.9	Very high	5 Å²	5	39.1 Å²	39.1	4%	0.035	20%	0.202	C	C	.	.			trans	-63.9	149.7	174.7	-57.8	0	0	0	0	111.7	H154 N155 D184 D185 K193	H154-S187 WeakPolarHBondContact CA-OG 3.34Å; N155-S187 PolarHBondContact N-OG 3.02Å; N155-S187 WeakPolarHBondContact OD1-CA 3.46Å; N155-S187 VanDerWaalsContact OD1-CB 3.24Å; N155-S187 WeakPolarHBondContact OD1-CB 3.43Å; D184-S187 WeakPolarHBondContact OD1-CB 3.39Å; D184-S187 PolarHBondContact OD1-N 2.73Å; D184-S187 PolarHBondContact OD1-OG 3.19Å; D185-S187 PolarHBondContact O-N 2.85Å; S187-K193 WeakPolarHBondContact O-CE 3.36Å; S187-K193 PolarHBondContact O-NZ 3.35Å
188	D	95.6	Very high	97.9	Very high	109 Å²	109	45 Å²	45	58%	0.583	23%	0.229	S	C	*	.			trans	-112.3	-3.1	175.9	61.5	18	0	0	0	113.3	N155	N155-D188 PolarHBondContact ND2-OD1 2.77Å; N155-D188 PolarHBondContact OD1-N 3.48Å; N155-D188 PolarHBondContact OD1-OD1 2.75Å; N155-D188 VanDerWaalsContact OD1-OD1 3.05Å
189	K	95.8	Very high	97.9	Very high	56 Å²	56	45.4 Å²	45.4	24%	0.243	22%	0.224	C	C	.	.			trans	-75.1	125.5	176	-59.8	-65.8	-175.1	168.4	0	111.6	E110 N155 H191 L192	E110-K189 IonicContact OE1-NZ 3.96Å; E110-K189 PolarHBondContact OE1-NZ 3.2Å; N155-K189 HydrophobicContact CB-CG 4.07Å; N155-K189 PolarHBondContact OD1-N 2.8Å; K189-H191 VanDerWaalsContact C-N 3.3Å; K189-H191 PolarHBondContact O-N 3.43Å; K189-L192 HydrophobicContact CB-CD1 4.07Å; K189-L192 HydrophobicContact CB-CG 4.2Å; K189-L192 WeakPolarHBondContact O-CB 3.43Å; K189-L192 PolarHBondContact O-N 2.81Å
190	E	97.4	Very high	97.8	Very high	155 Å²	155	44.8 Å²	44.8	72%	0.724	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-55.3	-40.5	-178.3	-69.8	-56.1	138.3	0	0	113.6	L192 K193	E190-L192 PolarHBondContact O-N 2.9Å; E190-L192 VanDerWaalsContact O-N 3.08Å; E190-K193 WeakPolarHBondContact O-CB 3.45Å; E190-K193 PolarHBondContact O-N 3.27Å
191	H	97.4	Very high	97.7	Very high	60 Å²	60	50.8 Å²	50.8	28%	0.278	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-64.6	-15.6	179	65.1	76.3	0	0	0	113.3	E156 W158 K189 L196	E156-H191 PolarHBondContact O-CE1 3.2Å; E156-H191 VanDerWaalsContact O-CE1 3.32Å; W158-H191 HydrophobicContact CE3-CB 4.09Å; W158-H191 WeakPolarHBondContact CZ3-O 3.32Å; K189-H191 VanDerWaalsContact C-N 3.3Å; K189-H191 PolarHBondContact O-N 3.43Å; H191-L196 PolarHBondContact O-N 3.23Å
192	L	98.2	Very high	97.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-90.4	1.4	176.2	-61.7	176.9	0	0	0	113.3	F153 L161 K189 E190 L196 R210	F153-L192 HydrophobicContact CD2-CD1 4.08Å; F153-L192 HydrophobicContact CD2-CD2 4.4Å; F153-L192 HydrophobicContact CE2-CB 4.19Å; F153-L192 HydrophobicContact CE2-CD1 4Å; F153-L192 HydrophobicContact CE2-CD2 4.06Å; F153-L192 HydrophobicContact CE2-CG 4.29Å; L161-L192 HydrophobicContact CD2-CD2 3.8Å; K189-L192 HydrophobicContact CB-CD1 4.07Å; K189-L192 HydrophobicContact CB-CG 4.2Å; K189-L192 WeakPolarHBondContact O-CB 3.43Å; K189-L192 PolarHBondContact O-N 2.81Å; E190-L192 PolarHBondContact O-N 2.9Å; E190-L192 VanDerWaalsContact O-N 3.08Å; L192-L196 HydrophobicContact CD2-CD2 4.13Å; L192-R210 VanDerWaalsContact O-CZ 3.32Å; L192-R210 PolarHBondContact O-NH1 3.23Å; L192-R210 PolarHBondContact O-NH2 3.39Å
193	K	97.9	Very high	97.5	Very high	60 Å²	60	60.2 Å²	60.2	26%	0.261	30%	0.295	S	S	.	.	S	Bend	trans	-96.3	-118.2	-179.6	-55.7	-56.3	180	-175	0	110.8	D184 S187 E190 A195 L196 E197 R210	D184-K193 IonicContact OD2-NZ 3.26Å; D184-K193 PolarHBondContact OD2-NZ 3.49Å; S187-K193 WeakPolarHBondContact O-CE 3.36Å; S187-K193 PolarHBondContact O-NZ 3.35Å; E190-K193 WeakPolarHBondContact O-CB 3.45Å; E190-K193 PolarHBondContact O-N 3.27Å; K193-A195 VanDerWaalsContact C-N 3.32Å; K193-A195 PolarHBondContact O-N 3.34Å; K193-L196 PolarHBondContact O-N 2.98Å; K193-E197 PolarHBondContact O-N 3.26Å; K193-R210 PolarHBondContact O-NH2 3.4Å; K193-R210 VanDerWaalsContact O-NH2 3.1Å
194	V	97.9	Very high	97	Very high	86 Å²	86	64.8 Å²	64.8	52%	0.521	33%	0.325	S	S	.	.	H	α-helix	trans	-58.9	-43.3	-175.6	179.5	0	0	0	0	111.3	L196 E197 E198	V194-L196 VanDerWaalsContact C-N 3.27Å; V194-L196 PolarHBondContact O-N 2.93Å; V194-E197 WeakPolarHBondContact O-CB 3.39Å; V194-E197 PolarHBondContact O-N 2.86Å; V194-E197 VanDerWaalsContact O-N 3.07Å; V194-E198 HydrophobicContact CG1-CG 4.23Å; V194-E198 WeakPolarHBondContact O-CG 3.42Å; V194-E198 PolarHBondContact O-N 2.96Å
195	A	98.1	Very high	96.9	Very high	40 Å²	40	69.3 Å²	69.3	33%	0.331	34%	0.344	S	S	.	.	H	α-helix	trans	-58.2	-38.4	179.4	0	0	0	0	0	112.9	W158 K193 Y199	W158-A195 HydrophobicContact CH2-CB 4.41Å; W158-A195 HydrophobicContact CZ3-CB 4.33Å; K193-A195 VanDerWaalsContact C-N 3.32Å; K193-A195 PolarHBondContact O-N 3.34Å; A195-Y199 WeakPolarHBondContact O-CB 3.18Å; A195-Y199 PolarHBondContact O-N 3.08Å
196	L	98.5	Very high	96.9	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-69.9	-40.7	176.8	-171.7	66.3	0	0	0	111.4	F153 W158 L161 L162 H191 L192 K193 V194 Y199 M200 I208	F153-L196 HydrophobicContact CE2-CD2 4.16Å; F153-L196 HydrophobicContact CZ-CD2 3.7Å; W158-L196 HydrophobicContact CE3-CD1 4.39Å; W158-L196 HydrophobicContact CZ3-CB 4.1Å; W158-L196 HydrophobicContact CZ3-CD1 3.89Å; L161-L196 HydrophobicContact CD2-CD1 4.02Å; L161-L196 HydrophobicContact CD2-CD2 4.02Å; L162-L196 HydrophobicContact CD1-CD1 3.91Å; H191-L196 PolarHBondContact O-N 3.23Å; L192-L196 HydrophobicContact CD2-CD2 4.13Å; K193-L196 PolarHBondContact O-N 2.98Å; V194-L196 VanDerWaalsContact C-N 3.27Å; V194-L196 PolarHBondContact O-N 2.93Å; L196-Y199 PolarHBondContact O-N 3.45Å; L196-M200 HydrophobicContact CD1-CE 3.52Å; L196-M200 HydrophobicContact CD1-CG 4.12Å; L196-M200 HydrophobicContact CG-CE 4.49Å; L196-M200 HydrophobicContact CG-CG 4.2Å; L196-M200 WeakPolarHBondContact O-CB 3.35Å; L196-M200 WeakPolarHBondContact O-CG 3.36Å; L196-M200 PolarHBondContact O-N 2.83Å; L196-I208 HydrophobicContact CB-CD1 4.4Å; L196-I208 HydrophobicContact CD2-CD1 4Å; L196-I208 HydrophobicContact CG-CD1 3.81Å
197	E	97.8	Very high	97	Very high	81 Å²	81	69.1 Å²	69.1	38%	0.379	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-50	176.6	-73.3	164.6	-166.2	0	0	111.2	K193 V194 Y199 M200 V201 I208 R210	K193-E197 PolarHBondContact O-N 3.26Å; V194-E197 WeakPolarHBondContact O-CB 3.39Å; V194-E197 PolarHBondContact O-N 2.86Å; V194-E197 VanDerWaalsContact O-N 3.07Å; E197-Y199 PolarHBondContact O-N 3.41Å; E197-M200 PolarHBondContact O-N 2.94Å; E197-V201 VanDerWaalsContact O-CG2 3.29Å; E197-V201 WeakPolarHBondContact O-CG2 3.45Å; E197-V201 PolarHBondContact O-N 3Å; E197-I208 HydrophobicContact CG-CD1 3.89Å; E197-R210 IonicContact OE1-CZ 3.24Å; E197-R210 VanDerWaalsContact OE1-CZ 3.24Å; E197-R210 IonicContact OE1-NE 2.89Å; E197-R210 PolarHBondContact OE1-NE 2.81Å; E197-R210 IonicContact OE1-NH2 2.74Å; E197-R210 PolarHBondContact OE1-NH2 3.4Å
198	E	98	Very high	97	Very high	129 Å²	129	70.8 Å²	70.8	60%	0.603	35%	0.35	S	S	*	.	H	α-helix	trans	-58.5	-38.2	176.2	-70.1	177.8	171	0	0	112	V194	V194-E198 HydrophobicContact CG1-CG 4.23Å; V194-E198 WeakPolarHBondContact O-CG 3.42Å; V194-E198 PolarHBondContact O-N 2.96Å
199	Y	98.2	Very high	97.2	Very high	43 Å²	43	67.5 Å²	67.5	17%	0.169	33%	0.333	C	S	.	.	H	α-helix	trans	-66.1	-50.5	176.5	-167.9	-78	0	0	0	111.7	W158 L162 H166 A195 L196 E197 R202 L203	W158-Y199 HydrophobicContact CH2-CD2 4.08Å; W158-Y199 HydrophobicContact CH2-CG 4.14Å; W158-Y199 AromaticContact CZ2-CD2 3.66Å; W158-Y199 HydrophobicContact CZ2-CD2 3.66Å; W158-Y199 HydrophobicContact CZ2-CE2 4.36Å; W158-Y199 HydrophobicContact CZ2-CG 4.14Å; L162-Y199 HydrophobicContact CD2-CD1 4.01Å; L162-Y199 HydrophobicContact CD2-CD2 3.82Å; L162-Y199 HydrophobicContact CD2-CE1 3.65Å; L162-Y199 HydrophobicContact CD2-CE2 3.48Å; L162-Y199 VanDerWaalsContact CD2-CE2 3.48Å; L162-Y199 HydrophobicContact CD2-CG 4.11Å; L162-Y199 HydrophobicContact CG-CD1 4.12Å; L162-Y199 HydrophobicContact CG-CE1 3.83Å; H166-Y199 AromaticContact NE2-CE1 3.76Å; H166-Y199 AromaticContact NE2-CZ 3.71Å; H166-Y199 PolarHBondContact NE2-OH 3.03Å; A195-Y199 WeakPolarHBondContact O-CB 3.18Å; A195-Y199 PolarHBondContact O-N 3.08Å; L196-Y199 PolarHBondContact O-N 3.45Å; E197-Y199 PolarHBondContact O-N 3.41Å; Y199-R202 VanDerWaalsContact CG-NH2 3.31Å; Y199-R202 PolarHBondContact O-N 3.32Å; Y199-R202 PolarHBondContact O-NE 3.15Å; Y199-L203 HydrophobicContact CD1-CD1 4.34Å; Y199-L203 HydrophobicContact CE1-CD1 3.98Å
200	M	97.8	Very high	97.3	Very high	4 Å²	4	68 Å²	68	2%	0.02	33%	0.333	C	S	.	.	H	α-helix	trans	-75.6	-26.3	-170	-65.7	-60	171.5	0	0	113.3	L162 V165 L182 L196 E197 R202 L203 V206 I208	L162-M200 HydrophobicContact CD1-CE 3.7Å; L162-M200 HydrophobicContact CG-CE 4.11Å; V165-M200 HydrophobicContact CG1-SD 4.28Å; V165-M200 HydrophobicContact CG2-CE 4.1Å; L182-M200 HydrophobicContact CD1-CE 3.7Å; L182-M200 HydrophobicContact CD1-CG 3.98Å; L182-M200 HydrophobicContact CD1-SD 3.87Å; L196-M200 HydrophobicContact CD1-CE 3.52Å; L196-M200 HydrophobicContact CD1-CG 4.12Å; L196-M200 HydrophobicContact CG-CE 4.49Å; L196-M200 HydrophobicContact CG-CG 4.2Å; L196-M200 WeakPolarHBondContact O-CB 3.35Å; L196-M200 WeakPolarHBondContact O-CG 3.36Å; L196-M200 PolarHBondContact O-N 2.83Å; E197-M200 PolarHBondContact O-N 2.94Å; M200-R202 PolarHBondContact O-N 3.27Å; M200-R202 VanDerWaalsContact O-N 3.12Å; M200-L203 PolarHBondContact O-N 3.28Å; M200-L203 HydrophobicContact SD-CD1 3.87Å; M200-V206 HydrophobicContact CB-CG1 4.12Å; M200-V206 HydrophobicContact CG-CG1 4.23Å; M200-V206 HydrophobicContact SD-CG1 3.83Å; M200-I208 HydrophobicContact CB-CD1 4.16Å; M200-I208 HydrophobicContact CB-CG1 4.46Å; M200-I208 HydrophobicContact CG-CD1 4.07Å; M200-I208 HydrophobicContact CG-CG1 4.45Å
201	V	96.1	Very high	97.3	Very high	126 Å²	126	61.4 Å²	61.4	76%	0.764	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.1	173.6	162.1	0	0	0	0	112.4	E197 L203	E197-V201 VanDerWaalsContact O-CG2 3.29Å; E197-V201 WeakPolarHBondContact O-CG2 3.45Å; E197-V201 PolarHBondContact O-N 3Å; V201-L203 VanDerWaalsContact C-N 3.3Å
202	R	96.4	Very high	97.3	Very high	167 Å²	167	68.1 Å²	68.1	63%	0.63	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-13	178.6	-58	175.3	-63.1	179.6	2.4	113.2	Y199 M200	Y199-R202 VanDerWaalsContact CG-NH2 3.31Å; Y199-R202 PolarHBondContact O-N 3.32Å; Y199-R202 PolarHBondContact O-NE 3.15Å; M200-R202 PolarHBondContact O-N 3.27Å; M200-R202 VanDerWaalsContact O-N 3.12Å
203	L	96.2	Very high	97.1	Very high	31 Å²	31	74 Å²	74	16%	0.162	36%	0.357	C	S	.	.	S	Bend	trans	-100	119.8	-178.5	-60.8	-175.7	0	0	0	109.8	V165 L169 Y199 M200 V201 V206	V165-L203 HydrophobicContact CG1-CD1 3.87Å; L169-L203 HydrophobicContact CD1-CB 4.06Å; L169-L203 HydrophobicContact CD1-CD1 3.83Å; L169-L203 HydrophobicContact CD1-CD2 4.24Å; L169-L203 HydrophobicContact CD1-CG 4.28Å; Y199-L203 HydrophobicContact CD1-CD1 4.34Å; Y199-L203 HydrophobicContact CE1-CD1 3.98Å; M200-L203 PolarHBondContact O-N 3.28Å; M200-L203 HydrophobicContact SD-CD1 3.87Å; V201-L203 VanDerWaalsContact C-N 3.3Å; L203-V206 HydrophobicContact CB-CB 4.2Å; L203-V206 HydrophobicContact CB-CG2 3.68Å; L203-V206 HydrophobicContact CD1-CG2 4.4Å; L203-V206 PolarHBondContact O-N 3.22Å
204	P	89.9	Confident	96.9	Very high	96 Å²	96	73.5 Å²	73.5	62%	0.623	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	147.1	179.7	28.3	-34.5	0	0	0	110.3	V206	P204-V206 PolarHBondContact O-N 3.16Å; P204-V206 VanDerWaalsContact O-N 3.14Å
205	K	95.9	Very high	96.7	Very high	95 Å²	95	71.6 Å²	71.6	41%	0.413	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	2.2	178.1	-49.8	-173.6	174.2	-164.4	0	115.6	P174 I177 E179 I180	P174-K205 PolarHBondContact O-NZ 2.89Å; I177-K205 HydrophobicContact CB-CD 4.23Å; I177-K205 HydrophobicContact CG2-CB 4.44Å; I177-K205 HydrophobicContact CG2-CD 4Å; I177-K205 WeakPolarHBondContact O-CD 3.31Å; I177-K205 PolarHBondContact O-NZ 3.49Å; E179-K205 CarbonylContact C-O 3.57Å; E179-K205 WeakPolarHBondContact CA-O 3.47Å; I180-K205 PolarHBondContact N-O 2.77Å
206	V	98.4	Very high	96.5	Very high	18 Å²	18	69.7 Å²	69.7	11%	0.109	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.3	175.4	-172	0	0	0	0	109.8	V165 L169 I180 L182 M200 L203 P204	V165-V206 HydrophobicContact CG1-CG2 3.95Å; L169-V206 HydrophobicContact CD1-CG2 4.11Å; L169-V206 HydrophobicContact CD2-CG2 4.47Å; I180-V206 HydrophobicContact CB-CG2 4.26Å; I180-V206 HydrophobicContact CD1-CG2 4.23Å; I180-V206 WeakPolarHBondContact O-CA 3.43Å; L182-V206 HydrophobicContact CD1-CG1 3.99Å; L182-V206 HydrophobicContact CG-CG1 4.06Å; M200-V206 HydrophobicContact CB-CG1 4.12Å; M200-V206 HydrophobicContact CG-CG1 4.23Å; M200-V206 HydrophobicContact SD-CG1 3.83Å; L203-V206 HydrophobicContact CB-CB 4.2Å; L203-V206 HydrophobicContact CB-CG2 3.68Å; L203-V206 HydrophobicContact CD1-CG2 4.4Å; L203-V206 PolarHBondContact O-N 3.22Å; P204-V206 PolarHBondContact O-N 3.16Å; P204-V206 VanDerWaalsContact O-N 3.14Å
207	R	97.8	Very high	96.2	Very high	90 Å²	90	71.3 Å²	71.3	34%	0.34	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155.3	169.3	66.8	177.5	178.6	111.2	-6.5	111.6	E179 I180 I181 L182 A227	E179-R207 IonicContact OE2-CZ 2.79Å; E179-R207 IonicContact OE2-NE 3.21Å; E179-R207 PolarHBondContact OE2-NE 2.94Å; E179-R207 IonicContact OE2-NH2 2.9Å; E179-R207 PolarHBondContact OE2-NH2 2.95Å; I180-R207 PolarHBondContact O-N 2.83Å; I181-R207 VanDerWaalsContact CD1-NH2 3.26Å; I181-R207 HydrophobicContact CG1-CG 4.48Å; L182-R207 PolarHBondContact N-O 3.18Å; R207-A227 PolarHBondContact NH2-O 3.02Å
208	I	98.8	Very high	96.1	Very high	40 Å²	40	67.4 Å²	67.4	21%	0.205	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.6	179.9	-54.8	174.1	0	0	0	109	L182 L196 E197 M200 R210	L182-I208 HydrophobicContact CB-CG1 4.34Å; L182-I208 HydrophobicContact CD1-CG1 4.35Å; L182-I208 CarbonylContact O-C 3.55Å; L182-I208 WeakPolarHBondContact O-CA 3.31Å; L196-I208 HydrophobicContact CB-CD1 4.4Å; L196-I208 HydrophobicContact CD2-CD1 4Å; L196-I208 HydrophobicContact CG-CD1 3.81Å; E197-I208 HydrophobicContact CG-CD1 3.89Å; M200-I208 HydrophobicContact CB-CD1 4.16Å; M200-I208 HydrophobicContact CB-CG1 4.46Å; M200-I208 HydrophobicContact CG-CD1 4.07Å; M200-I208 HydrophobicContact CG-CG1 4.45Å; I208-R210 HydrophobicContact CG2-CG 3.99Å
209	L	98.6	Very high	96	Very high	41 Å²	41	64.7 Å²	64.7	22%	0.215	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.9	171.8	-179.2	58.7	0	0	0	108.2	I181 L182 V183 D184 L223 A227	I181-L209 HydrophobicContact CG2-CB 4.18Å; L182-L209 PolarHBondContact O-N 3.06Å; V183-L209 CarbonylContact C-O 3.49Å; V183-L209 VanDerWaalsContact CA-O 3.29Å; V183-L209 WeakPolarHBondContact CA-O 3.34Å; V183-L209 HydrophobicContact CG1-CB 4.43Å; V183-L209 HydrophobicContact CG1-CD2 4.48Å; V183-L209 HydrophobicContact CG1-CG 4.43Å; D184-L209 PolarHBondContact N-O 3.17Å; L209-L223 HydrophobicContact CD2-CD1 4.2Å; L209-L223 HydrophobicContact CD2-CD2 3.99Å; L209-L223 HydrophobicContact CD2-CG 3.63Å; L209-L223 HydrophobicContact CG-CD2 4.07Å; L209-L223 HydrophobicContact CG-CG 4.27Å; L209-A227 HydrophobicContact CD2-CB 3.94Å
210	R	98.5	Very high	96	Very high	66 Å²	66	62.7 Å²	62.7	25%	0.249	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.6	-176.2	-53.6	-170.4	179.1	-86.5	3.4	111.4	D184 L192 K193 E197 I208	D184-R210 HydrophobicContact CB-CB 4.25Å; D184-R210 HydrophobicContact CB-CG 3.93Å; D184-R210 IonicContact OD2-CZ 3.8Å; D184-R210 IonicContact OD2-NH1 2.68Å; D184-R210 PolarHBondContact OD2-NH1 2.65Å; L192-R210 VanDerWaalsContact O-CZ 3.32Å; L192-R210 PolarHBondContact O-NH1 3.23Å; L192-R210 PolarHBondContact O-NH2 3.39Å; K193-R210 PolarHBondContact O-NH2 3.4Å; K193-R210 VanDerWaalsContact O-NH2 3.1Å; E197-R210 IonicContact OE1-CZ 3.24Å; E197-R210 VanDerWaalsContact OE1-CZ 3.24Å; E197-R210 IonicContact OE1-NE 2.89Å; E197-R210 PolarHBondContact OE1-NE 2.81Å; E197-R210 IonicContact OE1-NH2 2.74Å; E197-R210 PolarHBondContact OE1-NH2 3.4Å; I208-R210 HydrophobicContact CG2-CG 3.99Å
211	T	97.9	Very high	96	Very high	16 Å²	16	62.6 Å²	62.6	10%	0.098	29%	0.29	C	S	.	.			trans	-77.5	154.6	170.9	65.2	0	0	0	0	110.6	D184 D185 F186 K213 E215 L223	D184-T211 PolarHBondContact O-N 3.23Å; D184-T211 PolarHBondContact O-OG1 3.34Å; D185-T211 WeakPolarHBondContact CA-OG1 3.44Å; F186-T211 PolarHBondContact N-OG1 3.28Å; T211-K213 WeakPolarHBondContact CB-O 3.37Å; T211-K213 PolarHBondContact OG1-O 3.34Å; T211-E215 HydrophobicContact CG2-CB 4.48Å; T211-E215 HydrophobicContact CG2-CG 4.02Å; T211-L223 HydrophobicContact CG2-CD2 3.7Å
212	K	96.5	Very high	96.1	Very high	202 Å²	202	57.5 Å²	57.5	88%	0.878	26%	0.258	S	S	*	.	S	Bend	trans	-84.8	-15.1	178.7	-64.4	-178.5	179.2	179.5	0	113.4	F186	F186-K212 WeakPolarHBondContact CE2-O 3.37Å
213	K	94.7	Very high	96.2	Very high	123 Å²	123	52.7 Å²	52.7	54%	0.535	24%	0.244	S	C	.	.	S	Bend	trans	-154.9	166.7	-179	64	178.3	-177.9	178.8	0	108.5	F186 T211 E215	F186-K213 VanDerWaalsContact CB-C 3.42Å; T211-K213 WeakPolarHBondContact CB-O 3.37Å; T211-K213 PolarHBondContact OG1-O 3.34Å; K213-E215 WeakPolarHBondContact CE-OE1 3.24Å; K213-E215 WeakPolarHBondContact CG-OE1 3.2Å; K213-E215 PolarHBondContact O-N 3.41Å; K213-E215 VanDerWaalsContact O-N 3.17Å
214	R	93.4	Very high	96.3	Very high	50 Å²	50	51.2 Å²	51.2	19%	0.189	24%	0.237	C	C	.	.			trans	-66.3	113.8	174.2	-171.4	67.3	-174.1	-90.2	6.4	110.4	H154 D185 F186 I341	H154-R214 PolarHBondContact CD2-NH1 3.49Å; H154-R214 PolarHBondContact CD2-NH2 2.86Å; H154-R214 PolarHBondContact CE1-NH1 3.1Å; H154-R214 PolarHBondContact ND1-NH1 3.37Å; H154-R214 PolarHBondContact NE2-NH1 3.29Å; D185-R214 VanDerWaalsContact O-CD 3.3Å; D185-R214 WeakPolarHBondContact O-CD 3.18Å; D185-R214 IonicContact OD1-NE 3.19Å; D185-R214 VanDerWaalsContact OD2-CD 3.29Å; D185-R214 WeakPolarHBondContact OD2-CD 3.23Å; D185-R214 IonicContact OD2-CZ 3.56Å; D185-R214 IonicContact OD2-NE 3Å; D185-R214 PolarHBondContact OD2-NE 2.84Å; D185-R214 IonicContact OD2-NH2 2.74Å; F186-R214 HydrophobicContact CB-CB 4.34Å; F186-R214 HydrophobicContact CD1-CB 4.32Å; R214-I341 HydrophobicContact CG-CD1 4.14Å
215	E	94.1	Very high	96.7	Very high	45 Å²	45	46.7 Å²	46.7	21%	0.21	21%	0.207	C	C	.	.			trans	-99.8	-29.4	-178.9	-69.1	-63.4	172.9	0	0	112.5	D185 T211 K213 R219	D185-E215 PolarHBondContact OD1-N 3.38Å; T211-E215 HydrophobicContact CG2-CB 4.48Å; T211-E215 HydrophobicContact CG2-CG 4.02Å; K213-E215 WeakPolarHBondContact CE-OE1 3.24Å; K213-E215 WeakPolarHBondContact CG-OE1 3.2Å; K213-E215 PolarHBondContact O-N 3.41Å; K213-E215 VanDerWaalsContact O-N 3.17Å; E215-R219 HydrophobicContact CB-CB 3.85Å; E215-R219 WeakPolarHBondContact OE2-CD 3.37Å; E215-R219 IonicContact OE2-NH1 3.15Å; E215-R219 PolarHBondContact OE2-NH1 3.41Å
216	G	92.5	Very high	96.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.215	C	C	.	.			trans	94.4	162.7	-173	0	0	0	0	0	113	D185 I218 R219 T220	D185-G216 PolarHBondContact OD1-N 3.02Å; D185-G216 VanDerWaalsContact OD2-CA 3.23Å; D185-G216 WeakPolarHBondContact OD2-CA 3.32Å; D185-G216 PolarHBondContact OD2-N 3.12Å; G216-I218 VanDerWaalsContact C-N 3.31Å; G216-I218 PolarHBondContact O-N 3.31Å; G216-R219 PolarHBondContact O-N 3.47Å; G216-T220 VanDerWaalsContact O-CB 3.22Å; G216-T220 WeakPolarHBondContact O-CB 3.35Å; G216-T220 PolarHBondContact O-N 2.82Å; G216-T220 PolarHBondContact O-OG1 2.78Å
217	L	92.9	Very high	96.8	Very high	34 Å²	34	46 Å²	46	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-54.6	-46.6	-174.6	177.3	65.9	0	0	0	111.9	P152 T220 R221 I341	P152-L217 HydrophobicContact CB-CD1 4.02Å; P152-L217 HydrophobicContact CG-CD1 3.57Å; L217-T220 PolarHBondContact O-N 2.96Å; L217-R221 HydrophobicContact CD1-CG 4.48Å; L217-R221 WeakPolarHBondContact O-CG 3.47Å; L217-R221 PolarHBondContact O-N 3.32Å; L217-I341 WeakPolarHBondContact CB-O 3.35Å; L217-I341 PolarHBondContact N-O 3.14Å
218	I	94.8	Very high	96.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-53.4	-174.3	-64	89.3	0	0	0	111.3	G216 T220 R221 L222 Y335 L339 E340 E345	G216-I218 VanDerWaalsContact C-N 3.31Å; G216-I218 PolarHBondContact O-N 3.31Å; I218-T220 VanDerWaalsContact C-N 3.33Å; I218-T220 PolarHBondContact O-N 3.03Å; I218-R221 WeakPolarHBondContact O-CB 3.37Å; I218-R221 PolarHBondContact O-N 2.85Å; I218-L222 PolarHBondContact O-N 2.8Å; I218-Y335 VanDerWaalsContact CG2-CB 3.48Å; I218-Y335 HydrophobicContact CG2-CD2 3.97Å; I218-Y335 HydrophobicContact CG2-CG 3.89Å; I218-L339 HydrophobicContact CB-CB 4.42Å; I218-L339 HydrophobicContact CD1-CB 4.47Å; I218-L339 HydrophobicContact CG1-CB 4.18Å; I218-L339 HydrophobicContact CG2-CB 4.17Å; I218-L339 HydrophobicContact CG2-CD1 4.45Å; I218-E340 WeakPolarHBondContact CD1-O 3.14Å; I218-E345 HydrophobicContact CD1-CG 4.5Å; I218-E345 HydrophobicContact CG1-CB 3.62Å; I218-E345 HydrophobicContact CG1-CG 3.8Å; I218-E345 HydrophobicContact CG2-CB 4.43Å
219	R	96.2	Very high	96.9	Very high	71 Å²	71	44.8 Å²	44.8	27%	0.268	23%	0.227	S	C	.	.	H	α-helix	trans	-70.7	-30.6	-178.9	-68.3	-173.8	-155.8	143.4	12.2	112.5	E215 G216 L222 L223 T337	E215-R219 HydrophobicContact CB-CB 3.85Å; E215-R219 WeakPolarHBondContact OE2-CD 3.37Å; E215-R219 IonicContact OE2-NH1 3.15Å; E215-R219 PolarHBondContact OE2-NH1 3.41Å; G216-R219 PolarHBondContact O-N 3.47Å; R219-L222 WeakPolarHBondContact O-CB 3.08Å; R219-L222 PolarHBondContact O-N 2.78Å; R219-L223 PolarHBondContact O-N 3.02Å; R219-T337 PolarHBondContact NE-O 2.67Å; R219-T337 PolarHBondContact NH2-O 3.06Å
220	T	97.9	Very high	96.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-42.1	172.9	-59.3	0	0	0	0	111	P152 V183 D185 G216 L217 I218 L223 G224	P152-T220 HydrophobicContact CB-CG2 3.58Å; V183-T220 HydrophobicContact CB-CG2 3.66Å; V183-T220 HydrophobicContact CG1-CG2 3.41Å; V183-T220 VanDerWaalsContact CG1-CG2 3.41Å; D185-T220 HydrophobicContact CB-CG2 3.89Å; D185-T220 VanDerWaalsContact CB-OG1 3.27Å; D185-T220 WeakPolarHBondContact CB-OG1 3.45Å; D185-T220 PolarHBondContact OD1-OG1 2.84Å; G216-T220 VanDerWaalsContact O-CB 3.22Å; G216-T220 WeakPolarHBondContact O-CB 3.35Å; G216-T220 PolarHBondContact O-N 2.82Å; G216-T220 PolarHBondContact O-OG1 2.78Å; L217-T220 PolarHBondContact O-N 2.96Å; I218-T220 VanDerWaalsContact C-N 3.33Å; I218-T220 PolarHBondContact O-N 3.03Å; T220-L223 PolarHBondContact O-N 3.33Å; T220-G224 PolarHBondContact O-N 2.79Å; T220-G224 VanDerWaalsContact O-N 3.08Å
221	R	98.3	Very high	96.9	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-43.4	171.8	-74.5	-178.8	-175.7	-177.7	1.9	112.1	P152 L217 I218 L223 G224 A225 F235 D237 G319 Y335	P152-R221 HydrophobicContact CB-CG 4.3Å; P152-R221 HydrophobicContact CG-CG 3.81Å; L217-R221 HydrophobicContact CD1-CG 4.48Å; L217-R221 WeakPolarHBondContact O-CG 3.47Å; L217-R221 PolarHBondContact O-N 3.32Å; I218-R221 WeakPolarHBondContact O-CB 3.37Å; I218-R221 PolarHBondContact O-N 2.85Å; R221-L223 VanDerWaalsContact C-N 3.32Å; R221-L223 PolarHBondContact O-N 3.37Å; R221-G224 PolarHBondContact O-N 3.37Å; R221-A225 WeakPolarHBondContact O-CB 3.44Å; R221-A225 PolarHBondContact O-N 3.29Å; R221-F235 HydrophobicContact CB-CD1 4.06Å; R221-F235 HydrophobicContact CB-CE1 3.51Å; R221-F235 HydrophobicContact CB-CZ 4.13Å; R221-F235 HydrophobicContact CG-CD1 3.79Å; R221-F235 HydrophobicContact CG-CE1 3.78Å; R221-D237 IonicContact CZ-OD1 3.17Å; R221-D237 IonicContact NH2-OD1 2.63Å; R221-D237 PolarHBondContact NH2-OD1 3.08Å; R221-G319 PolarHBondContact NH1-O 2.88Å; R221-Y335 HydrophobicContact CB-CE2 4.22Å
222	L	98.2	Very high	96.9	Very high	19 Å²	19	43.9 Å²	43.9	10%	0.099	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-41.1	175.4	-74.1	176.3	0	0	0	112.5	I218 R219 A225 A226 F329 W330 Y335 T337	I218-L222 PolarHBondContact O-N 2.8Å; R219-L222 WeakPolarHBondContact O-CB 3.08Å; R219-L222 PolarHBondContact O-N 2.78Å; L222-A225 PolarHBondContact O-N 2.89Å; L222-A226 WeakPolarHBondContact O-CB 3.27Å; L222-A226 PolarHBondContact O-N 3.13Å; L222-F329 HydrophobicContact CD2-CE1 4.06Å; L222-F329 HydrophobicContact CD2-CZ 4.03Å; L222-W330 HydrophobicContact CD2-CH2 4.04Å; L222-W330 HydrophobicContact CD2-CZ3 4.17Å; L222-Y335 HydrophobicContact CD2-CD2 4.28Å; L222-Y335 HydrophobicContact CG-CD2 4.3Å; L222-T337 HydrophobicContact CD1-CG2 3.82Å
223	L	98.4	Very high	97.1	Very high	66 Å²	66	34.3 Å²	34.3	35%	0.346	18%	0.182	S	C	.	.	H	α-helix	trans	-63.1	-44.6	177	179.9	64	0	0	0	111.4	V183 L209 T211 R219 T220 R221 A225 A226 A227	V183-L223 HydrophobicContact CG1-CD2 4.09Å; V183-L223 HydrophobicContact CG1-CG 4.49Å; L209-L223 HydrophobicContact CD2-CD1 4.2Å; L209-L223 HydrophobicContact CD2-CD2 3.99Å; L209-L223 HydrophobicContact CD2-CG 3.63Å; L209-L223 HydrophobicContact CG-CD2 4.07Å; L209-L223 HydrophobicContact CG-CG 4.27Å; T211-L223 HydrophobicContact CG2-CD2 3.7Å; R219-L223 PolarHBondContact O-N 3.02Å; T220-L223 PolarHBondContact O-N 3.33Å; R221-L223 VanDerWaalsContact C-N 3.32Å; R221-L223 PolarHBondContact O-N 3.37Å; L223-A225 VanDerWaalsContact C-N 3.34Å; L223-A225 PolarHBondContact O-N 3.22Å; L223-A226 PolarHBondContact O-N 3.19Å; L223-A227 PolarHBondContact O-N 2.99Å
224	G	98.6	Very high	97.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.1	-43.6	172.5	0	0	0	0	0	112.3	T220 R221 A226 A227 A228	T220-G224 PolarHBondContact O-N 2.79Å; T220-G224 VanDerWaalsContact O-N 3.08Å; R221-G224 PolarHBondContact O-N 3.37Å; G224-A226 VanDerWaalsContact C-N 3.29Å; G224-A226 PolarHBondContact O-N 3.38Å; G224-A227 PolarHBondContact O-N 3.25Å; G224-A228 PolarHBondContact O-N 2.89Å
225	A	98.6	Very high	97.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-64.5	-35.7	-179.3	0	0	0	0	0	111.9	I150 R221 L222 L223 A227 A228 I233 F235 F329 W330	I150-A225 HydrophobicContact CD1-CB 4.2Å; I150-A225 VanDerWaalsContact CD1-N 3.28Å; R221-A225 WeakPolarHBondContact O-CB 3.44Å; R221-A225 PolarHBondContact O-N 3.29Å; L222-A225 PolarHBondContact O-N 2.89Å; L223-A225 VanDerWaalsContact C-N 3.34Å; L223-A225 PolarHBondContact O-N 3.22Å; A225-A227 VanDerWaalsContact C-N 3.3Å; A225-A228 PolarHBondContact O-N 2.92Å; A225-I233 HydrophobicContact CB-CD1 3.73Å; A225-F235 HydrophobicContact CB-CZ 4.1Å; A225-F329 HydrophobicContact CB-CD1 4.22Å; A225-F329 HydrophobicContact CB-CE1 3.7Å; A225-F329 HydrophobicContact CB-CZ 4.49Å; A225-W330 HydrophobicContact CB-CH2 4.29Å; A225-W330 HydrophobicContact CB-CZ2 3.66Å
226	A	98.5	Very high	97.8	Very high	69 Å²	69	24 Å²	24	57%	0.57	14%	0.138	S	C	*	.	H	α-helix	trans	-71.6	-30.6	178.8	0	0	0	0	0	111.2	L222 L223 G224 W330	L222-A226 WeakPolarHBondContact O-CB 3.27Å; L222-A226 PolarHBondContact O-N 3.13Å; L223-A226 PolarHBondContact O-N 3.19Å; G224-A226 VanDerWaalsContact C-N 3.29Å; G224-A226 PolarHBondContact O-N 3.38Å; A226-W330 HydrophobicContact CB-CH2 4.36Å; A226-W330 HydrophobicContact CB-CZ2 4.09Å
227	A	98.6	Very high	98	Very high	30 Å²	30	25 Å²	25	25%	0.248	14%	0.143	C	C	.	.	H	α-helix	trans	-85.2	-10.8	177.6	0	0	0	0	0	113.8	I181 R207 L209 L223 G224 A225	I181-A227 HydrophobicContact CD1-CB 4.46Å; R207-A227 PolarHBondContact NH2-O 3.02Å; L209-A227 HydrophobicContact CD2-CB 3.94Å; L223-A227 PolarHBondContact O-N 2.99Å; G224-A227 PolarHBondContact O-N 3.25Å; A225-A227 VanDerWaalsContact C-N 3.3Å
228	A	98.7	Very high	98.3	Very high	7 Å²	7	23.7 Å²	23.7	6%	0.058	14%	0.137	C	C	.	.			trans	-73.2	135	-174.6	0	0	0	0	0	113.1	I150 I181 G224 A225 I233 R326	I150-A228 HydrophobicContact CD1-CB 4.46Å; I181-A228 HydrophobicContact CD1-CB 4.23Å; G224-A228 PolarHBondContact O-N 2.89Å; A225-A228 PolarHBondContact O-N 2.92Å; A228-I233 HydrophobicContact CB-CG1 4.4Å; A228-R326 WeakPolarHBondContact O-CD 2.97Å
229	T	98.6	Very high	98.5	Very high	98 Å²	98	24.5 Å²	24.5	60%	0.601	14%	0.141	S	C	*	.			trans	-104.7	-20.3	-179.9	63	0	0	0	0	114.2	S148 E179	S148-T229 PolarHBondContact OG-N 2.8Å; E179-T229 WeakPolarHBondContact OE1-CB 3.33Å; E179-T229 PolarHBondContact OE1-N 2.66Å; E179-T229 PolarHBondContact OE1-OG1 3.48Å
230	G	98.6	Very high	98.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.01	13%	0.128	C	C	.	.	S	Bend	trans	-63.7	161.4	-179.3	0	0	0	0	0	113.4	N146 S148 V232 R326	N146-G230 WeakPolarHBondContact OD1-CA 3.27Å; S148-G230 PolarHBondContact OG-N 2.84Å; G230-V232 VanDerWaalsContact C-N 3.32Å; G230-R326 WeakPolarHBondContact O-CD 3.09Å; G230-R326 PolarHBondContact O-NE 3.19Å
231	E	98.8	Very high	98.6	Very high	103 Å²	103	21.3 Å²	21.3	48%	0.481	13%	0.129	S	C	.	.	S	Bend	trans	-67.6	-37.1	177.5	-65.3	174.8	92.3	0	0	111.3	P145 N146 R326	P145-E231 WeakPolarHBondContact CA-OE2 3.39Å; P145-E231 HydrophobicContact CB-CB 3.87Å; N146-E231 PolarHBondContact N-OE2 3.31Å; N146-E231 PolarHBondContact O-N 2.83Å; N146-E231 PolarHBondContact OD1-N 3.22Å; E231-R326 VanDerWaalsContact O-CB 3.26Å; E231-R326 WeakPolarHBondContact O-CB 3.45Å; E231-R326 PolarHBondContact O-N 2.67Å
232	V	98.9	Very high	98.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.5	177.2	174.5	0	0	0	0	110.5	P145 N146 T147 S148 G230 M251 I254 A323 V324	P145-V232 HydrophobicContact CB-CG2 3.99Å; P145-V232 HydrophobicContact CG-CG2 3.87Å; N146-V232 PolarHBondContact O-N 2.89Å; T147-V232 CarbonylContact C-O 3.54Å; T147-V232 WeakPolarHBondContact CA-O 3.44Å; T147-V232 WeakPolarHBondContact CB-O 3.13Å; T147-V232 PolarHBondContact OG1-O 3.49Å; S148-V232 PolarHBondContact N-O 3.05Å; G230-V232 VanDerWaalsContact C-N 3.32Å; V232-M251 HydrophobicContact CB-CE 4.43Å; V232-M251 HydrophobicContact CB-SD 4.02Å; V232-M251 HydrophobicContact CG1-CE 3.71Å; V232-M251 HydrophobicContact CG1-SD 3.97Å; V232-M251 HydrophobicContact CG2-SD 4.21Å; V232-I254 HydrophobicContact CG1-CD1 3.55Å; V232-I254 HydrophobicContact CG2-CD1 4.15Å; V232-I254 HydrophobicContact CG2-CG2 3.93Å; V232-A323 HydrophobicContact CG1-CB 3.98Å; V232-V324 CarbonylContact C-O 3.4Å; V232-V324 WeakPolarHBondContact CA-O 3.4Å; V232-V324 WeakPolarHBondContact CG1-O 3.24Å
233	I	98.9	Very high	98.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.2	166.6	-56.5	176.5	0	0	0	108.6	I150 A225 A228 F235 A323 V324 R326 F329	I150-I233 HydrophobicContact CD1-CG2 3.4Å; I150-I233 VanDerWaalsContact CD1-CG2 3.4Å; I150-I233 HydrophobicContact CG1-CG2 4.31Å; A225-I233 HydrophobicContact CB-CD1 3.73Å; A228-I233 HydrophobicContact CB-CG1 4.4Å; I233-F235 HydrophobicContact CB-CE2 4.46Å; I233-F235 HydrophobicContact CG2-CD2 3.9Å; I233-F235 HydrophobicContact CG2-CE1 4.24Å; I233-F235 HydrophobicContact CG2-CE2 3.47Å; I233-F235 VanDerWaalsContact CG2-CE2 3.47Å; I233-F235 HydrophobicContact CG2-CG 4.49Å; I233-F235 HydrophobicContact CG2-CZ 3.68Å; I233-A323 CarbonylContact O-C 3.52Å; I233-A323 VanDerWaalsContact O-CA 3.24Å; I233-A323 WeakPolarHBondContact O-CA 3.4Å; I233-V324 HydrophobicContact CB-CG1 4.17Å; I233-V324 PolarHBondContact N-O 3.37Å; I233-V324 PolarHBondContact O-N 3.34Å; I233-R326 HydrophobicContact CD1-CB 4.27Å; I233-R326 HydrophobicContact CD1-CG 3.94Å; I233-R326 HydrophobicContact CG1-CB 3.88Å; I233-R326 HydrophobicContact CG1-CG 3.93Å; I233-F329 HydrophobicContact CD1-CB 4.28Å; I233-F329 HydrophobicContact CD1-CD1 3.88Å; I233-F329 HydrophobicContact CD1-CG 4.18Å
234	T	98.9	Very high	98.7	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120.8	170	-58.7	0	0	0	0	109.4	T147 S148 I149 I150 W246 F322 A323	T147-T234 PolarHBondContact OG1-N 3.2Å; T147-T234 PolarHBondContact OG1-OG1 2.74Å; S148-T234 PolarHBondContact O-N 2.8Å; I149-T234 CarbonylContact C-O 3.59Å; I149-T234 VanDerWaalsContact CA-O 3.29Å; I149-T234 WeakPolarHBondContact CA-O 3.43Å; I150-T234 PolarHBondContact N-O 2.61Å; T234-W246 HydrophobicContact CG2-CH2 3.87Å; T234-W246 HydrophobicContact CG2-CZ3 4.07Å; T234-F322 CarbonylContact C-O 3.43Å; T234-F322 WeakPolarHBondContact CA-O 3.47Å; T234-A323 HydrophobicContact CG2-CB 4.34Å
235	F	98.9	Very high	98.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	136.2	173.3	-68.1	-78.6	0	0	0	110.3	I150 R221 A225 I233 L321 F322 F329	I150-F235 HydrophobicContact CB-CD1 3.82Å; I150-F235 HydrophobicContact CB-CE1 3.93Å; I150-F235 HydrophobicContact CD1-CD1 4.24Å; I150-F235 HydrophobicContact CD1-CE1 3.6Å; I150-F235 HydrophobicContact CD1-CZ 3.98Å; I150-F235 HydrophobicContact CG1-CE1 4.42Å; I150-F235 HydrophobicContact CG2-CD1 3.98Å; I150-F235 HydrophobicContact CG2-CE1 3.9Å; R221-F235 HydrophobicContact CB-CD1 4.06Å; R221-F235 HydrophobicContact CB-CE1 3.51Å; R221-F235 HydrophobicContact CB-CZ 4.13Å; R221-F235 HydrophobicContact CG-CD1 3.79Å; R221-F235 HydrophobicContact CG-CE1 3.78Å; A225-F235 HydrophobicContact CB-CZ 4.1Å; I233-F235 HydrophobicContact CB-CE2 4.46Å; I233-F235 HydrophobicContact CG2-CD2 3.9Å; I233-F235 HydrophobicContact CG2-CE1 4.24Å; I233-F235 HydrophobicContact CG2-CE2 3.47Å; I233-F235 VanDerWaalsContact CG2-CE2 3.47Å; I233-F235 HydrophobicContact CG2-CG 4.49Å; I233-F235 HydrophobicContact CG2-CZ 3.68Å; F235-L321 WeakPolarHBondContact O-CA 3.13Å; F235-F322 HydrophobicContact CB-CD1 4.25Å; F235-F322 HydrophobicContact CB-CE1 4.03Å; F235-F322 HydrophobicContact CD2-CD1 4.25Å; F235-F322 HydrophobicContact CD2-CD2 4.34Å; F235-F322 AromaticContact CD2-CE1 3.51Å; F235-F322 HydrophobicContact CD2-CE1 3.51Å; F235-F322 AromaticContact CD2-CE2 3.66Å; F235-F322 HydrophobicContact CD2-CE2 3.66Å; F235-F322 AromaticContact CD2-CZ 3.18Å; F235-F322 HydrophobicContact CD2-CZ 3.18Å; F235-F322 HydrophobicContact CE2-CE1 4.26Å; F235-F322 AromaticContact CE2-CE2 3.98Å; F235-F322 HydrophobicContact CE2-CE2 3.98Å; F235-F322 AromaticContact CE2-CZ 3.54Å; F235-F322 HydrophobicContact CE2-CZ 3.54Å; F235-F322 HydrophobicContact CG-CE1 4.04Å; F235-F322 HydrophobicContact CG-CZ 4.14Å; F235-F322 PolarHBondContact N-O 3.07Å; F235-F322 PolarHBondContact O-N 2.92Å; F235-F329 HydrophobicContact CE2-CE2 4.33Å; F235-F329 HydrophobicContact CE2-CZ 4.46Å; F235-F329 HydrophobicContact CZ-CZ 4.39Å
236	L	98.8	Very high	98.7	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	12%	0.116	C	C	.	.			trans	-132.5	145.9	167.9	-65.7	177.6	0	0	0	109.4	I149 I150 I151 P152 V168 W246 L321 V368	I149-L236 HydrophobicContact CG2-CD1 3.89Å; I149-L236 HydrophobicContact CG2-CG 4.25Å; I150-L236 PolarHBondContact O-N 2.91Å; I151-L236 WeakPolarHBondContact CA-O 3.49Å; I151-L236 HydrophobicContact CG1-CB 4.16Å; P152-L236 WeakPolarHBondContact CD-O 3.39Å; V168-L236 HydrophobicContact CG2-CD1 3.49Å; V168-L236 VanDerWaalsContact CG2-CD1 3.49Å; L236-W246 HydrophobicContact CD1-CH2 3.87Å; L236-W246 HydrophobicContact CD1-CZ2 4.37Å; L236-W246 HydrophobicContact CD2-CH2 4.23Å; L236-W246 HydrophobicContact CD2-CZ3 4.12Å; L236-W246 HydrophobicContact CG-CH2 4.35Å; L236-L321 HydrophobicContact CB-CD2 4.22Å; L236-L321 HydrophobicContact CD2-CB 4.34Å; L236-L321 HydrophobicContact CD2-CD2 3.76Å; L236-L321 HydrophobicContact CD2-CG 4.48Å; L236-V368 HydrophobicContact CD2-CG1 4.25Å; L236-V368 HydrophobicContact CD2-CG2 4.49Å
237	D	98.2	Very high	98.7	Very high	21 Å²	21	15.5 Å²	15.5	11%	0.112	9%	0.089	C	C	.	.			trans	-76.7	161	168.2	-69.1	-29.5	0	0	0	110.5	R221 H239 G320 L321 H370	R221-D237 IonicContact CZ-OD1 3.17Å; R221-D237 IonicContact NH2-OD1 2.63Å; R221-D237 PolarHBondContact NH2-OD1 3.08Å; D237-H239 PolarHBondContact O-N 3Å; D237-H239 VanDerWaalsContact O-N 3.16Å; D237-G320 VanDerWaalsContact OD2-CA 3.27Å; D237-G320 WeakPolarHBondContact OD2-CA 3.13Å; D237-L321 HydrophobicContact CB-CD2 4.37Å; D237-L321 VanDerWaalsContact N-CD2 3.32Å; D237-H370 IonicContact OD2-CD2 3.99Å; D237-H370 IonicContact OD2-NE2 3.21Å
238	S	98.3	Very high	98.7	Very high	6 Å²	6	14 Å²	14	4%	0.042	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	8.5	-171.3	32.9	0	0	0	0	115.3	P152 F153 E156 L161 T164	P152-S238 PolarHBondContact O-OG 2.85Å; F153-S238 WeakPolarHBondContact CB-OG 3.29Å; E156-S238 PolarHBondContact OE2-OG 3.02Å; E156-S238 VanDerWaalsContact OE2-OG 3.1Å; L161-S238 WeakPolarHBondContact CA-O 3.38Å; T164-S238 PolarHBondContact OG1-O 3.11Å
239	H	98.5	Very high	98.8	Very high	17 Å²	17	14 Å²	14	8%	0.079	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.7	50	-178.3	40.1	-81.1	0	0	0	109.4	F113 E156 T164 D237 H370 I371 R373	F113-H239 HydrophobicContact CE1-CB 4.35Å; E156-H239 IonicContact OE2-CE1 3.05Å; E156-H239 PolarHBondContact OE2-CE1 3.17Å; E156-H239 IonicContact OE2-CG 3.29Å; E156-H239 IonicContact OE2-ND1 2.8Å; E156-H239 PolarHBondContact OE2-ND1 2.94Å; T164-H239 PolarHBondContact OG1-N 2.99Å; D237-H239 PolarHBondContact O-N 3Å; D237-H239 VanDerWaalsContact O-N 3.16Å; H239-H370 AromaticContact CD2-CD2 3.94Å; H239-H370 AromaticContact CD2-NE2 3.57Å; H239-H370 AromaticContact NE2-NE2 3.34Å; H239-H370 PolarHBondContact NE2-NE2 3.46Å; H239-I371 HydrophobicContact CB-CB 4.21Å; H239-I371 HydrophobicContact CB-CD1 3.99Å; H239-I371 HydrophobicContact CB-CG1 4.22Å; H239-I371 PolarHBondContact CD2-O 3.44Å; H239-I371 PolarHBondContact O-N 3.27Å; H239-R373 PolarHBondContact CE1-NH2 3.37Å; H239-R373 PolarHBondContact ND1-NH2 3.28Å
240	C	98.8	Very high	98.8	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.007	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	160.1	178.6	-71.6	0	0	0	0	112.8	T164 L321 V368 G369	T164-C240 WeakPolarHBondContact CA-O 3Å; T164-C240 VanDerWaalsContact CB-O 3.3Å; T164-C240 WeakPolarHBondContact CB-O 3.18Å; T164-C240 HydrophobicContact CG2-CB 4.08Å; T164-C240 PolarHBondContact OG1-N 2.8Å; T164-C240 PolarHBondContact OG1-O 2.77Å; C240-L321 WeakPolarHBondContact SG-CD2 3.26Å; C240-V368 HydrophobicContact CB-CG1 3.84Å; C240-G369 CarbonylContact C-O 3.51Å; C240-G369 WeakPolarHBondContact CA-O 3.25Å; C240-G369 WeakPolarHBondContact CB-O 3.35Å
241	E	98.9	Very high	98.8	Very high	3 Å²	3	9.3 Å²	9.3	1%	0.014	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	108.8	169.5	-66.8	-179.6	-128	0	0	109.9	R125 R163 I269 G369	R125-E241 WeakPolarHBondContact CG-OE2 3.45Å; R125-E241 IonicContact CZ-OE1 3.16Å; R125-E241 VanDerWaalsContact CZ-OE1 3.23Å; R125-E241 IonicContact CZ-OE2 3.52Å; R125-E241 VanDerWaalsContact NE-CD 3.32Å; R125-E241 IonicContact NE-OE1 3.77Å; R125-E241 PolarHBondContact NE-OE1 2.96Å; R125-E241 IonicContact NE-OE2 2.76Å; R125-E241 PolarHBondContact NE-OE2 3.36Å; R125-E241 IonicContact NH2-OE1 2.66Å; R125-E241 PolarHBondContact NH2-OE1 2.75Å; R125-E241 IonicContact NH2-OE2 3.98Å; R163-E241 WeakPolarHBondContact CD-OE1 3.15Å; R163-E241 HydrophobicContact CG-CG 4.07Å; E241-I269 HydrophobicContact CB-CD1 4Å; E241-I269 HydrophobicContact CG-CD1 3.85Å; E241-G369 PolarHBondContact N-O 3.03Å; E241-G369 PolarHBondContact O-N 2.66Å
242	A	98.9	Very high	98.8	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.008	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	136.3	175.9	0	0	0	0	0	110.7	S167 R171 W246	S167-A242 PolarHBondContact OG-N 2.96Å; R171-A242 WeakPolarHBondContact CD-O 3.17Å; R171-A242 PolarHBondContact NH1-O 3.28Å; A242-W246 HydrophobicContact CB-CD2 3.91Å; A242-W246 HydrophobicContact CB-CG 3.88Å; A242-W246 HydrophobicContact CB-CZ2 4.36Å
243	N	98.8	Very high	98.8	Very high	2 Å²	2	8 Å²	8	1%	0.011	4%	0.039	C	C	.	.			trans	-90.3	176.3	178.2	-149.5	-36	0	0	0	111.1	V127 P128 N245 W246 Y276 R367	V127-N243 HydrophobicContact CG2-CB 4.39Å; P128-N243 PolarHBondContact O-ND2 3.06Å; N243-N245 PolarHBondContact O-N 3.45Å; N243-W246 WeakPolarHBondContact O-CB 3.35Å; N243-Y276 PolarHBondContact ND2-OH 3.18Å; N243-Y276 VanDerWaalsContact ND2-OH 3.1Å; N243-R367 HydrophobicContact CB-CB 4.12Å; N243-R367 WeakPolarHBondContact CB-O 3.48Å; N243-R367 PolarHBondContact N-O 2.89Å
244	V	98.6	Very high	98.7	Very high	23 Å²	23	8.2 Å²	8.2	14%	0.139	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	131.7	-178.2	56.5	0	0	0	0	112.1	I80 D129 W246	I80-V244 HydrophobicContact CD1-CG2 3.65Å; I80-V244 HydrophobicContact CG1-CG2 3.58Å; D129-V244 HydrophobicContact CB-CG1 4Å; V244-W246 PolarHBondContact O-N 3.39Å
245	N	98.7	Very high	98.7	Very high	8 Å²	8	10.9 Å²	10.9	4%	0.043	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	35.8	174.2	-165.1	27.4	0	0	0	113.8	H75 N243 P248 P249	H75-N245 PolarHBondContact CD2-ND2 2.76Å; H75-N245 PolarHBondContact CE1-ND2 2.85Å; H75-N245 PolarHBondContact ND1-ND2 2.84Å; H75-N245 PolarHBondContact NE2-ND2 3.45Å; H75-N245 VanDerWaalsContact NE2-ND2 3.13Å; N243-N245 PolarHBondContact O-N 3.45Å; N245-P248 WeakPolarHBondContact OD1-CD 3.33Å; N245-P248 VanDerWaalsContact OD1-CG 3.3Å; N245-P248 WeakPolarHBondContact OD1-CG 3.46Å; N245-P249 VanDerWaalsContact O-CD 3.23Å; N245-P249 WeakPolarHBondContact O-CD 3.36Å; N245-P249 WeakPolarHBondContact O-CG 3.29Å
246	W	98.9	Very high	98.6	Very high	1 Å²	1	16 Å²	16	0%	0.004	9%	0.086	C	C	.	.			trans	-72.3	-36.6	-175.8	76.5	-70.8	0	0	0	113.6	I149 V168 S172 T234 L236 A242 N243 V244 P249 L250 S366 V368	I149-W246 HydrophobicContact CD1-CH2 4.48Å; I149-W246 HydrophobicContact CD1-CZ2 4.23Å; V168-W246 HydrophobicContact CG2-CZ2 4.45Å; S172-W246 PolarHBondContact OG-NE1 3.08Å; T234-W246 HydrophobicContact CG2-CH2 3.87Å; T234-W246 HydrophobicContact CG2-CZ3 4.07Å; L236-W246 HydrophobicContact CD1-CH2 3.87Å; L236-W246 HydrophobicContact CD1-CZ2 4.37Å; L236-W246 HydrophobicContact CD2-CH2 4.23Å; L236-W246 HydrophobicContact CD2-CZ3 4.12Å; L236-W246 HydrophobicContact CG-CH2 4.35Å; A242-W246 HydrophobicContact CB-CD2 3.91Å; A242-W246 HydrophobicContact CB-CG 3.88Å; A242-W246 HydrophobicContact CB-CZ2 4.36Å; N243-W246 WeakPolarHBondContact O-CB 3.35Å; V244-W246 PolarHBondContact O-N 3.39Å; W246-P249 WeakPolarHBondContact O-CG 3.13Å; W246-L250 HydrophobicContact CE3-CD1 3.74Å; W246-L250 HydrophobicContact CZ3-CD1 3.77Å; W246-S366 VanDerWaalsContact O-CB 3.3Å; W246-S366 WeakPolarHBondContact O-CB 3.43Å; W246-S366 PolarHBondContact O-OG 2.8Å; W246-V368 HydrophobicContact CD2-CG2 4.26Å; W246-V368 HydrophobicContact CE3-CG2 3.65Å; W246-V368 HydrophobicContact CZ3-CG2 4.17Å
247	L	98.9	Very high	98.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-77	-46.9	-168.7	-176.4	64.1	0	0	0	114.2	T147 L176 I177 L250 M251	T147-L247 HydrophobicContact CG2-CD1 3.89Å; T147-L247 HydrophobicContact CG2-CD2 4.04Å; L176-L247 HydrophobicContact CB-CD2 3.89Å; I177-L247 HydrophobicContact CG1-CD2 4.49Å; L247-L250 WeakPolarHBondContact O-CB 3.22Å; L247-L250 PolarHBondContact O-N 3.12Å; L247-M251 HydrophobicContact CD1-CE 3.75Å; L247-M251 HydrophobicContact CD1-CG 4.02Å; L247-M251 HydrophobicContact CD1-SD 4.18Å; L247-M251 HydrophobicContact CG-CG 4.04Å; L247-M251 PolarHBondContact O-N 3.41Å; L247-M251 VanDerWaalsContact O-N 3.14Å
248	P	98.9	Very high	98.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-53.5	-44.7	-178.7	-29.1	39.4	0	0	0	115.7	W74 Y140 L144 P173 L176 N245 L250 M251 D252	W74-P248 HydrophobicContact CB-CB 3.96Å; W74-P248 HydrophobicContact CB-CG 3.74Å; W74-P248 HydrophobicContact CD2-CB 4.35Å; W74-P248 HydrophobicContact CD2-CG 4.17Å; W74-P248 HydrophobicContact CE3-CG 4.33Å; W74-P248 HydrophobicContact CG-CB 3.91Å; W74-P248 HydrophobicContact CG-CG 3.96Å; Y140-P248 HydrophobicContact CD2-CB 3.96Å; Y140-P248 HydrophobicContact CG-CB 4.39Å; L144-P248 HydrophobicContact CD1-CB 4.01Å; P173-P248 HydrophobicContact CG-CG 3.99Å; L176-P248 HydrophobicContact CD1-CG 4.1Å; N245-P248 WeakPolarHBondContact OD1-CD 3.33Å; N245-P248 VanDerWaalsContact OD1-CG 3.3Å; N245-P248 WeakPolarHBondContact OD1-CG 3.46Å; P248-L250 VanDerWaalsContact C-N 3.26Å; P248-L250 PolarHBondContact O-N 3.02Å; P248-M251 PolarHBondContact O-N 3.18Å; P248-D252 VanDerWaalsContact O-CB 3.3Å; P248-D252 WeakPolarHBondContact O-CB 3.34Å; P248-D252 PolarHBondContact O-N 2.92Å
249	P	98.8	Very high	98.6	Very high	5 Å²	5	25 Å²	25	3%	0.032	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-31.2	176.8	14.6	-25.1	0	0	0	114.2	Y140 N245 W246 R253 I363 C365	Y140-P249 HydrophobicContact CD1-CB 4.47Å; Y140-P249 HydrophobicContact CE1-CB 3.65Å; Y140-P249 HydrophobicContact CE2-CB 4.38Å; Y140-P249 HydrophobicContact CE2-CG 4.45Å; N245-P249 VanDerWaalsContact O-CD 3.23Å; N245-P249 WeakPolarHBondContact O-CD 3.36Å; N245-P249 WeakPolarHBondContact O-CG 3.29Å; W246-P249 WeakPolarHBondContact O-CG 3.13Å; P249-R253 PolarHBondContact O-N 2.96Å; P249-I363 HydrophobicContact CB-CG2 3.86Å; P249-C365 HydrophobicContact CB-CB 4.45Å
250	L	98.9	Very high	98.7	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-70.8	-49	176	-58.8	175.8	0	0	0	110.5	W246 L247 P248 D252 R253 I254 V262 I363 S366	W246-L250 HydrophobicContact CE3-CD1 3.74Å; W246-L250 HydrophobicContact CZ3-CD1 3.77Å; L247-L250 WeakPolarHBondContact O-CB 3.22Å; L247-L250 PolarHBondContact O-N 3.12Å; P248-L250 VanDerWaalsContact C-N 3.26Å; P248-L250 PolarHBondContact O-N 3.02Å; L250-D252 PolarHBondContact O-N 2.94Å; L250-R253 PolarHBondContact O-N 3.1Å; L250-I254 PolarHBondContact O-N 3.08Å; L250-V262 HydrophobicContact CB-CG2 3.89Å; L250-V262 HydrophobicContact CD2-CB 4.21Å; L250-V262 HydrophobicContact CD2-CG2 3.87Å; L250-V262 HydrophobicContact CG-CG2 4.46Å; L250-I363 HydrophobicContact CD2-CB 4.04Å; L250-I363 HydrophobicContact CD2-CG1 3.78Å; L250-S366 WeakPolarHBondContact CD1-OG 3.34Å; L250-S366 WeakPolarHBondContact CG-OG 3.48Å
251	M	98.9	Very high	98.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.7	-40.6	-178.4	-61	-56.4	95.2	0	0	111.9	L144 P145 T147 V232 L247 P248 R253 I254 A255 A323	L144-M251 HydrophobicContact CB-CB 4.12Å; L144-M251 HydrophobicContact CD1-CB 4.33Å; L144-M251 HydrophobicContact CD2-CB 4.31Å; P145-M251 HydrophobicContact CG-CB 4.33Å; T147-M251 HydrophobicContact CG2-SD 4.1Å; V232-M251 HydrophobicContact CB-CE 4.43Å; V232-M251 HydrophobicContact CB-SD 4.02Å; V232-M251 HydrophobicContact CG1-CE 3.71Å; V232-M251 HydrophobicContact CG1-SD 3.97Å; V232-M251 HydrophobicContact CG2-SD 4.21Å; L247-M251 HydrophobicContact CD1-CE 3.75Å; L247-M251 HydrophobicContact CD1-CG 4.02Å; L247-M251 HydrophobicContact CD1-SD 4.18Å; L247-M251 HydrophobicContact CG-CG 4.04Å; L247-M251 PolarHBondContact O-N 3.41Å; L247-M251 VanDerWaalsContact O-N 3.14Å; P248-M251 PolarHBondContact O-N 3.18Å; M251-R253 VanDerWaalsContact C-N 3.27Å; M251-R253 PolarHBondContact O-N 3.42Å; M251-I254 HydrophobicContact CE-CD1 4.32Å; M251-I254 PolarHBondContact O-N 2.98Å; M251-A255 WeakPolarHBondContact O-CB 3.47Å; M251-A255 PolarHBondContact O-N 3.39Å; M251-A323 HydrophobicContact CE-CB 3.8Å
252	D	98.6	Very high	98.7	Very high	16 Å²	16	24 Å²	24	9%	0.086	12%	0.12	C	C	.	.	H	α-helix	trans	-60.3	-41	178.9	-171.9	82.8	0	0	0	111.1	Y140 S141 L144 P248 L250 A255 Q256	Y140-D252 HydrophobicContact CD1-CB 3.8Å; Y140-D252 HydrophobicContact CG-CB 4.26Å; S141-D252 WeakPolarHBondContact CB-OD1 3.36Å; S141-D252 PolarHBondContact N-OD1 3.26Å; L144-D252 VanDerWaalsContact CD2-CA 3.43Å; L144-D252 HydrophobicContact CD2-CB 3.75Å; P248-D252 VanDerWaalsContact O-CB 3.3Å; P248-D252 WeakPolarHBondContact O-CB 3.34Å; P248-D252 PolarHBondContact O-N 2.92Å; L250-D252 PolarHBondContact O-N 2.94Å; D252-A255 WeakPolarHBondContact O-CB 3.46Å; D252-A255 PolarHBondContact O-N 2.75Å; D252-Q256 WeakPolarHBondContact O-CG 3.31Å; D252-Q256 PolarHBondContact O-N 2.92Å; D252-Q256 VanDerWaalsContact O-N 3.09Å; D252-Q256 PolarHBondContact OD2-NE2 3.39Å
253	R	98.6	Very high	98.7	Very high	60 Å²	60	24.2 Å²	24.2	23%	0.226	12%	0.121	C	C	.	.	H	α-helix	trans	-70.6	-37.9	-178.5	-171.3	56	174.9	174.2	-0.6	112.9	P249 L250 M251 Q256 N257 V262 E361 I363	P249-R253 PolarHBondContact O-N 2.96Å; L250-R253 PolarHBondContact O-N 3.1Å; M251-R253 VanDerWaalsContact C-N 3.27Å; M251-R253 PolarHBondContact O-N 3.42Å; R253-Q256 PolarHBondContact O-N 2.95Å; R253-N257 PolarHBondContact O-N 3.21Å; R253-V262 HydrophobicContact CB-CG1 3.93Å; R253-V262 HydrophobicContact CG-CG1 3.67Å; R253-E361 IonicContact CZ-OE1 2.83Å; R253-E361 IonicContact CZ-OE2 3.76Å; R253-E361 IonicContact NE-OE1 2.82Å; R253-E361 IonicContact NE-OE2 2.87Å; R253-E361 PolarHBondContact NE-OE2 3.35Å; R253-E361 VanDerWaalsContact NH2-CD 3.26Å; R253-E361 IonicContact NH2-OE1 3.75Å; R253-E361 PolarHBondContact NH2-OE1 3.14Å; R253-E361 IonicContact NH2-OE2 3.38Å; R253-E361 PolarHBondContact NH2-OE2 2.88Å; R253-I363 HydrophobicContact CB-CD1 4.37Å; R253-I363 HydrophobicContact CG-CD1 4.06Å
254	I	98.8	Very high	98.7	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.026	12%	0.122	C	C	.	.	H	α-helix	trans	-67.5	-37.6	172.3	-63.4	171.7	0	0	0	110.9	V232 L250 M251 Q256 N257 R258 V262 A323 D325	V232-I254 HydrophobicContact CG1-CD1 3.55Å; V232-I254 HydrophobicContact CG2-CD1 4.15Å; V232-I254 HydrophobicContact CG2-CG2 3.93Å; L250-I254 PolarHBondContact O-N 3.08Å; M251-I254 HydrophobicContact CE-CD1 4.32Å; M251-I254 PolarHBondContact O-N 2.98Å; I254-Q256 VanDerWaalsContact C-N 3.25Å; I254-Q256 PolarHBondContact O-N 3.2Å; I254-N257 CarbonylContact O-C 3.59Å; I254-N257 PolarHBondContact O-N 2.87Å; I254-N257 VanDerWaalsContact O-N 3.14Å; I254-R258 PolarHBondContact O-N 2.56Å; I254-R258 VanDerWaalsContact O-N 3.12Å; I254-V262 HydrophobicContact CD1-CG2 3.79Å; I254-V262 HydrophobicContact CG1-CG1 4.3Å; I254-V262 HydrophobicContact CG1-CG2 3.82Å; I254-A323 HydrophobicContact CD1-CB 3.77Å; I254-D325 HydrophobicContact CG2-CB 4.05Å
255	A	98.1	Very high	98.7	Very high	57 Å²	57	23.9 Å²	23.9	47%	0.471	12%	0.118	S	C	.	.	H	α-helix	trans	-61.2	-35.1	177.1	0	0	0	0	0	112.3	P145 M251 D252	P145-A255 HydrophobicContact CG-CB 4.42Å; M251-A255 WeakPolarHBondContact O-CB 3.47Å; M251-A255 PolarHBondContact O-N 3.39Å; D252-A255 WeakPolarHBondContact O-CB 3.46Å; D252-A255 PolarHBondContact O-N 2.75Å
256	Q	97.4	Very high	98.7	Very high	107 Å²	107	24.4 Å²	24.4	50%	0.5	12%	0.121	S	C	.	.	H	α-helix	trans	-71.4	-37	174.5	-67	171.1	29.4	0	0	112.6	D252 R253 I254	D252-Q256 WeakPolarHBondContact O-CG 3.31Å; D252-Q256 PolarHBondContact O-N 2.92Å; D252-Q256 VanDerWaalsContact O-N 3.09Å; D252-Q256 PolarHBondContact OD2-NE2 3.39Å; R253-Q256 PolarHBondContact O-N 2.95Å; I254-Q256 VanDerWaalsContact C-N 3.25Å; I254-Q256 PolarHBondContact O-N 3.2Å
257	N	98.3	Very high	98.7	Very high	60 Å²	60	24.4 Å²	24.4	32%	0.321	12%	0.121	S	C	.	.			trans	-148.2	101.9	177.6	-179.8	-1.3	0	0	0	111.4	R253 I254 K259 T260	R253-N257 PolarHBondContact O-N 3.21Å; I254-N257 CarbonylContact O-C 3.59Å; I254-N257 PolarHBondContact O-N 2.87Å; I254-N257 VanDerWaalsContact O-N 3.14Å; N257-K259 PolarHBondContact O-N 2.63Å; N257-K259 PolarHBondContact OD1-N 3.07Å; N257-T260 WeakPolarHBondContact CB-OG1 3.41Å; N257-T260 VanDerWaalsContact CG-OG1 3.23Å; N257-T260 PolarHBondContact ND2-OG1 2.88Å; N257-T260 WeakPolarHBondContact O-CB 3.38Å; N257-T260 PolarHBondContact O-N 3.26Å; N257-T260 PolarHBondContact O-OG1 2.96Å; N257-T260 VanDerWaalsContact O-OG1 3.11Å
258	R	98.5	Very high	98.7	Very high	83 Å²	83	25.7 Å²	25.7	31%	0.313	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.3	-179.2	-165.7	-172.9	68.6	92.5	-3.5	114.1	I254 T260 D325 E331	I254-R258 PolarHBondContact O-N 2.56Å; I254-R258 VanDerWaalsContact O-N 3.12Å; R258-T260 VanDerWaalsContact C-N 3.28Å; R258-T260 PolarHBondContact O-N 3.28Å; R258-D325 WeakPolarHBondContact CD-OD1 3.09Å; R258-D325 HydrophobicContact CG-CB 3.47Å; R258-D325 VanDerWaalsContact CG-CB 3.47Å; R258-D325 WeakPolarHBondContact CG-OD1 3.35Å; R258-D325 WeakPolarHBondContact CG-OD2 3.25Å; R258-D325 IonicContact CZ-OD1 2.75Å; R258-D325 IonicContact NE-OD1 3.72Å; R258-D325 IonicContact NH1-OD1 3.81Å; R258-D325 PolarHBondContact NH1-OD1 2.73Å; R258-D325 WeakPolarHBondContact O-CB 3.31Å; R258-E331 IonicContact CZ-OE1 2.65Å; R258-E331 VanDerWaalsContact CZ-OE1 3.26Å; R258-E331 IonicContact CZ-OE2 2.8Å; R258-E331 IonicContact NH1-OE1 3.5Å; R258-E331 PolarHBondContact NH1-OE1 2.91Å; R258-E331 IonicContact NH1-OE2 2.65Å; R258-E331 VanDerWaalsContact NH2-CD 3.29Å; R258-E331 IonicContact NH2-OE1 2.76Å; R258-E331 PolarHBondContact NH2-OE1 3.03Å; R258-E331 IonicContact NH2-OE2 3.23Å; R258-E331 PolarHBondContact NH2-OE2 2.92Å
259	K	98.8	Very high	98.6	Very high	76 Å²	76	25.7 Å²	25.7	33%	0.33	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	11.1	-178.9	-62.8	-168.3	173.7	-170.8	0	113.7	N257 W328 G358 R359	N257-K259 PolarHBondContact O-N 2.63Å; N257-K259 PolarHBondContact OD1-N 3.07Å; K259-W328 HydrophobicContact CB-CD2 4.24Å; K259-W328 HydrophobicContact CB-CZ2 4.2Å; K259-W328 HydrophobicContact CD-CD2 4.49Å; K259-W328 HydrophobicContact CD-CE3 4.22Å; K259-W328 HydrophobicContact CD-CH2 4.01Å; K259-W328 HydrophobicContact CD-CZ2 4.23Å; K259-W328 HydrophobicContact CD-CZ3 4Å; K259-W328 HydrophobicContact CG-CD2 3.91Å; K259-W328 HydrophobicContact CG-CE3 4.02Å; K259-W328 HydrophobicContact CG-CG 4.42Å; K259-W328 HydrophobicContact CG-CH2 4.43Å; K259-W328 HydrophobicContact CG-CZ2 4.28Å; K259-W328 HydrophobicContact CG-CZ3 4.3Å; K259-W328 PolarHBondContact O-NE1 3.14Å; K259-G358 CarbonylContact O-C 3.6Å; K259-G358 WeakPolarHBondContact O-CA 3.42Å; K259-R359 PolarHBondContact O-N 2.89Å
260	T	98.9	Very high	98.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.6	174.1	-47.6	0	0	0	0	109.5	N257 R258 V262 R359 E361	N257-T260 WeakPolarHBondContact CB-OG1 3.41Å; N257-T260 VanDerWaalsContact CG-OG1 3.23Å; N257-T260 PolarHBondContact ND2-OG1 2.88Å; N257-T260 WeakPolarHBondContact O-CB 3.38Å; N257-T260 PolarHBondContact O-N 3.26Å; N257-T260 PolarHBondContact O-OG1 2.96Å; N257-T260 VanDerWaalsContact O-OG1 3.11Å; R258-T260 VanDerWaalsContact C-N 3.28Å; R258-T260 PolarHBondContact O-N 3.28Å; T260-V262 HydrophobicContact CG2-CG1 3.85Å; T260-R359 CarbonylContact C-O 3.54Å; T260-R359 WeakPolarHBondContact CA-O 3.37Å; T260-R359 HydrophobicContact CG2-CB 4.19Å; T260-E361 HydrophobicContact CG2-CB 4.29Å; T260-E361 HydrophobicContact CG2-CG 4.07Å
261	I	98.9	Very high	98.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.4	162.2	-62.1	179.3	0	0	0	107.5	M317 F322 V324 I349 V353 R359 M360 E361	I261-M317 HydrophobicContact CG2-CE 3.66Å; I261-F322 HydrophobicContact CG2-CB 4.07Å; I261-F322 HydrophobicContact CG2-CD2 3.61Å; I261-F322 HydrophobicContact CG2-CE2 4.44Å; I261-F322 HydrophobicContact CG2-CG 4.19Å; I261-V324 HydrophobicContact CD1-CG2 4.12Å; I261-V324 HydrophobicContact CG1-CB 3.97Å; I261-V324 HydrophobicContact CG1-CG2 3.65Å; I261-I349 HydrophobicContact CD1-CD1 4.33Å; I261-I349 HydrophobicContact CD1-CG1 3.83Å; I261-V353 HydrophobicContact CD1-CB 3.94Å; I261-V353 HydrophobicContact CD1-CG1 4.38Å; I261-V353 HydrophobicContact CD1-CG2 3.89Å; I261-V353 HydrophobicContact CG1-CG2 3.93Å; I261-R359 PolarHBondContact N-O 3.09Å; I261-M360 HydrophobicContact CB-CE 3.45Å; I261-M360 VanDerWaalsContact CB-CE 3.45Å; I261-M360 HydrophobicContact CB-SD 3.73Å; I261-M360 HydrophobicContact CD1-CE 3.87Å; I261-M360 HydrophobicContact CG1-CE 4.19Å; I261-M360 HydrophobicContact CG2-CE 3.49Å; I261-M360 VanDerWaalsContact CG2-CE 3.49Å; I261-M360 HydrophobicContact CG2-SD 3.51Å; I261-M360 VanDerWaalsContact CG2-SD 3.51Å; I261-M360 WeakPolarHBondContact O-CA 3.39Å; I261-E361 PolarHBondContact O-N 3.45Å
262	V	98.9	Very high	98.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	136.9	-177.8	-62.5	0	0	0	0	110.9	L250 R253 I254 T260 F322 A323 E361 I363	L250-V262 HydrophobicContact CB-CG2 3.89Å; L250-V262 HydrophobicContact CD2-CB 4.21Å; L250-V262 HydrophobicContact CD2-CG2 3.87Å; L250-V262 HydrophobicContact CG-CG2 4.46Å; R253-V262 HydrophobicContact CB-CG1 3.93Å; R253-V262 HydrophobicContact CG-CG1 3.67Å; I254-V262 HydrophobicContact CD1-CG2 3.79Å; I254-V262 HydrophobicContact CG1-CG1 4.3Å; I254-V262 HydrophobicContact CG1-CG2 3.82Å; T260-V262 HydrophobicContact CG2-CG1 3.85Å; V262-F322 CarbonylContact O-C 3.2Å; V262-F322 VanDerWaalsContact O-CA 3.3Å; V262-F322 WeakPolarHBondContact O-CA 3.47Å; V262-A323 HydrophobicContact CG2-CB 3.92Å; V262-A323 PolarHBondContact N-O 3.31Å; V262-A323 PolarHBondContact O-N 3.17Å; V262-E361 CarbonylContact C-O 3.57Å; V262-E361 VanDerWaalsContact CA-O 3.28Å; V262-E361 WeakPolarHBondContact CA-O 3.22Å; V262-I363 HydrophobicContact CB-CD1 4.14Å; V262-I363 HydrophobicContact CB-CG1 3.85Å; V262-I363 HydrophobicContact CG1-CD1 3.99Å; V262-I363 HydrophobicContact CG1-CG1 4.25Å
263	C	98.9	Very high	98.3	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.034	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.7	177	-56	0	0	0	0	109.8	M360 E361 D362 I363	C263-M360 VanDerWaalsContact SG-SD 3.63Å; C263-E361 PolarHBondContact N-O 3.08Å; C263-D362 VanDerWaalsContact CB-OD1 3.29Å; C263-D362 WeakPolarHBondContact CB-OD1 3.37Å; C263-D362 WeakPolarHBondContact O-CA 3.25Å; C263-I363 PolarHBondContact O-N 2.88Å
264	P	98.9	Very high	98.3	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	162.4	166.2	33.1	-34.9	0	0	0	110	I266 L321 S366 V368	P264-I266 PolarHBondContact O-N 3.47Å; P264-L321 WeakPolarHBondContact CD-O 3.45Å; P264-L321 HydrophobicContact CG-CB 3.91Å; P264-S366 CarbonylContact C-O 3.59Å; P264-S366 WeakPolarHBondContact CA-O 3.11Å; P264-S366 WeakPolarHBondContact CB-OG 3.38Å; P264-V368 HydrophobicContact CB-CG2 3.93Å; P264-V368 HydrophobicContact CG-CB 4.33Å; P264-V368 HydrophobicContact CG-CG2 3.87Å
265	M	98.8	Very high	98.3	Very high	14 Å²	14	29.8 Å²	29.8	7%	0.069	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	128.5	162.1	-54.6	-80.8	52.7	0	0	109.5	A283 F312 D362 S366 R367 V368	M265-A283 HydrophobicContact SD-CB 4.32Å; M265-F312 HydrophobicContact CE-CZ 4.24Å; M265-F312 HydrophobicContact SD-CE1 4.2Å; M265-F312 HydrophobicContact SD-CZ 4.4Å; M265-D362 HydrophobicContact CE-CB 3.82Å; M265-S366 PolarHBondContact N-O 3.32Å; M265-R367 HydrophobicContact CB-CG 4.14Å; M265-R367 WeakPolarHBondContact O-CA 3.4Å; M265-V368 PolarHBondContact O-N 3.03Å
266	I	98.7	Very high	98.3	Very high	19 Å²	19	27.7 Å²	27.7	10%	0.097	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	109.9	-179	-48.7	-170.8	0	0	0	107.6	P264 Q279 A318 L321 V368 H370 Y372	P264-I266 PolarHBondContact O-N 3.47Å; I266-Q279 WeakPolarHBondContact O-CG 3.47Å; I266-Q279 PolarHBondContact O-NE2 3.18Å; I266-A318 HydrophobicContact CD1-CB 3.67Å; I266-L321 HydrophobicContact CB-CD1 4.44Å; I266-L321 HydrophobicContact CD1-CB 4.23Å; I266-L321 HydrophobicContact CD1-CD1 4.07Å; I266-L321 HydrophobicContact CD1-CG 4.1Å; I266-L321 HydrophobicContact CG1-CD1 3.98Å; I266-L321 HydrophobicContact CG1-CG 4.49Å; I266-L321 HydrophobicContact CG2-CD1 3.95Å; I266-V368 WeakPolarHBondContact CA-O 3.07Å; I266-H370 HydrophobicContact CG2-CB 3.63Å; I266-Y372 HydrophobicContact CG2-CE2 4.45Å; I266-Y372 WeakPolarHBondContact CG2-OH 3.38Å
267	D	98.7	Very high	98.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	156.9	176.9	-69.5	-33.5	0	0	0	110.6	Y276 E277 R367 V368 G369 H370	D267-Y276 HydrophobicContact CB-CD1 4.36Å; D267-Y276 HydrophobicContact CB-CE1 3.54Å; D267-Y276 HydrophobicContact CB-CE2 4.23Å; D267-Y276 VanDerWaalsContact CB-CZ 3.46Å; D267-Y276 WeakPolarHBondContact CB-OH 3.35Å; D267-Y276 VanDerWaalsContact OD2-CE1 3.22Å; D267-Y276 WeakPolarHBondContact OD2-CE1 3.4Å; D267-Y276 VanDerWaalsContact OD2-CZ 3.23Å; D267-Y276 PolarHBondContact OD2-OH 3.12Å; D267-E277 CarbonylContact C-O 3.5Å; D267-E277 WeakPolarHBondContact CB-O 3.49Å; D267-R367 IonicContact OD1-CZ 2.74Å; D267-R367 VanDerWaalsContact OD1-CZ 3.3Å; D267-R367 IonicContact OD1-NE 3.86Å; D267-R367 PolarHBondContact OD1-NE 3.1Å; D267-R367 IonicContact OD1-NH2 3.19Å; D267-R367 PolarHBondContact OD1-NH2 3.34Å; D267-R367 WeakPolarHBondContact OD2-CB 3.49Å; D267-R367 IonicContact OD2-CZ 3.26Å; D267-R367 IonicContact OD2-NE 3.83Å; D267-R367 PolarHBondContact OD2-NE 3.38Å; D267-R367 IonicContact OD2-NH2 2.97Å; D267-V368 PolarHBondContact N-O 3.23Å; D267-G369 CarbonylContact O-C 3.59Å; D267-G369 WeakPolarHBondContact O-CA 3.45Å; D267-H370 PolarHBondContact O-N 3Å
268	V	98.4	Very high	98.3	Very high	27 Å²	27	27.7 Å²	27.7	16%	0.164	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.2	176.4	-179.8	0	0	0	0	109	Y276 E277 Q279 Y372	V268-Y276 WeakPolarHBondContact O-CA 3.48Å; V268-E277 HydrophobicContact CB-CG 4.11Å; V268-E277 PolarHBondContact N-O 3.33Å; V268-E277 PolarHBondContact O-N 2.79Å; V268-Q279 HydrophobicContact CG2-CB 4.38Å; V268-Q279 HydrophobicContact CG2-CG 3.55Å; V268-Y372 HydrophobicContact CB-CD2 4.41Å; V268-Y372 HydrophobicContact CG1-CD2 4.22Å; V268-Y372 HydrophobicContact CG2-CD2 4.06Å; V268-Y372 HydrophobicContact CG2-CE2 3.96Å
269	I	98.8	Very high	98.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.3	156.7	-59.5	164.9	0	0	0	106.2	E241 H271 F274 G275 Y276 H370 I371	E241-I269 HydrophobicContact CB-CD1 4Å; E241-I269 HydrophobicContact CG-CD1 3.85Å; I269-H271 PolarHBondContact O-N 3.24Å; I269-F274 HydrophobicContact CG2-CB 4.22Å; I269-F274 HydrophobicContact CG2-CD1 3.97Å; I269-F274 HydrophobicContact CG2-CG 4.18Å; I269-G275 WeakPolarHBondContact CA-O 3.3Å; I269-Y276 HydrophobicContact CG1-CD2 4.04Å; I269-H370 PolarHBondContact N-O 2.9Å; I269-I371 HydrophobicContact CB-CG1 3.81Å; I269-I371 HydrophobicContact CD1-CG1 4.2Å; I269-I371 HydrophobicContact CG2-CD1 4.47Å; I269-I371 HydrophobicContact CG2-CG1 3.78Å
270	D	98.1	Very high	97.8	Very high	39 Å²	39	25.9 Å²	25.9	21%	0.209	15%	0.148	C	C	.	.			trans	-59.3	131.9	-176.7	179.8	-96.4	0	0	0	111.2	D272 N273 F274 G275	D270-D272 PolarHBondContact O-N 3.02Å; D270-D272 WeakPolarHBondContact OD1-CA 3.42Å; D270-D272 WeakPolarHBondContact OD1-CB 3.19Å; D270-D272 PolarHBondContact OD1-N 3.35Å; D270-N273 VanDerWaalsContact OD1-CG 3.23Å; D270-N273 PolarHBondContact OD1-N 3.27Å; D270-N273 PolarHBondContact OD1-ND2 3.5Å; D270-N273 VanDerWaalsContact OD1-ND2 3.16Å; D270-N273 PolarHBondContact OD1-OD1 2.77Å; D270-F274 WeakPolarHBondContact O-CA 3.23Å; D270-F274 PolarHBondContact O-N 3.47Å; D270-G275 PolarHBondContact N-O 2.79Å
271	H	97.3	Very high	97.4	Very high	43 Å²	43	28.7 Å²	28.7	20%	0.199	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-14.8	-174.5	61.9	67.2	0	0	0	113.9	F113 N114 I269 I371 Y372	F113-H271 HydrophobicContact CB-CB 3.79Å; N114-H271 WeakPolarHBondContact CB-O 3.22Å; N114-H271 PolarHBondContact N-O 3.47Å; I269-H271 PolarHBondContact O-N 3.24Å; H271-I371 HydrophobicContact CB-CG2 4.32Å; H271-Y372 WeakPolarHBondContact CB-O 3.4Å; H271-Y372 PolarHBondContact CD2-O 2.82Å
272	D	96.3	Very high	97.3	Very high	43 Å²	43	31.8 Å²	31.8	23%	0.23	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-56.1	179.7	-70.4	-17.1	0	0	0	111.2	L98 Y108 N114 D270	L98-D272 HydrophobicContact CD1-CB 4.49Å; Y108-D272 WeakPolarHBondContact CE1-OD1 3.27Å; Y108-D272 VanDerWaalsContact OH-CG 3.23Å; Y108-D272 PolarHBondContact OH-OD1 3.19Å; N114-D272 WeakPolarHBondContact CB-O 3.49Å; D270-D272 PolarHBondContact O-N 3.02Å; D270-D272 WeakPolarHBondContact OD1-CA 3.42Å; D270-D272 WeakPolarHBondContact OD1-CB 3.19Å; D270-D272 PolarHBondContact OD1-N 3.35Å
273	N	97	Very high	97.2	Very high	40 Å²	40	33.2 Å²	33.2	21%	0.214	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-2.7	-170.3	68.1	55.4	0	0	0	114.2	P95 F96 L98 D270 G275	P95-N273 HydrophobicContact CB-CB 4.17Å; P95-N273 WeakPolarHBondContact CB-OD1 3.33Å; F96-N273 VanDerWaalsContact CB-O 3.29Å; F96-N273 WeakPolarHBondContact CB-O 3.46Å; F96-N273 PolarHBondContact N-O 2.91Å; L98-N273 HydrophobicContact CD1-CB 4.11Å; L98-N273 HydrophobicContact CD2-CB 4.48Å; L98-N273 HydrophobicContact CG-CB 4.18Å; D270-N273 VanDerWaalsContact OD1-CG 3.23Å; D270-N273 PolarHBondContact OD1-N 3.27Å; D270-N273 PolarHBondContact OD1-ND2 3.5Å; D270-N273 VanDerWaalsContact OD1-ND2 3.16Å; D270-N273 PolarHBondContact OD1-OD1 2.77Å; N273-G275 PolarHBondContact O-N 3.11Å; N273-G275 WeakPolarHBondContact OD1-CA 3.47Å; N273-G275 PolarHBondContact OD1-N 3.3Å
274	F	98.3	Very high	97.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.211	C	C	.	.			trans	62.3	18.8	177.5	-78.9	-120.4	0	0	0	114.9	F113 N114 V117 S118 I121 R125 I269 D270 I371	F113-F274 HydrophobicContact CD2-CE2 4.42Å; F113-F274 AromaticContact CD2-CZ 3.92Å; F113-F274 HydrophobicContact CD2-CZ 3.92Å; F113-F274 HydrophobicContact CE2-CZ 4.37Å; N114-F274 HydrophobicContact CB-CE2 4.43Å; N114-F274 VanDerWaalsContact O-CE2 3.27Å; N114-F274 WeakPolarHBondContact O-CE2 3.44Å; V117-F274 HydrophobicContact CB-CD2 4.21Å; V117-F274 HydrophobicContact CB-CE2 4.47Å; V117-F274 HydrophobicContact CG1-CB 4.2Å; V117-F274 HydrophobicContact CG1-CD2 3.68Å; V117-F274 HydrophobicContact CG1-CE2 4.38Å; V117-F274 HydrophobicContact CG1-CG 4.09Å; S118-F274 VanDerWaalsContact CB-CZ 3.43Å; I121-F274 HydrophobicContact CD1-CB 3.44Å; I121-F274 VanDerWaalsContact CD1-CB 3.44Å; I121-F274 HydrophobicContact CD1-CD1 4.12Å; I121-F274 HydrophobicContact CD1-CG 3.9Å; R125-F274 PolarHBondContact NH1-O 3.05Å; R125-F274 PolarHBondContact NH2-O 2.91Å; R125-F274 VanDerWaalsContact NH2-O 3.17Å; I269-F274 HydrophobicContact CG2-CB 4.22Å; I269-F274 HydrophobicContact CG2-CD1 3.97Å; I269-F274 HydrophobicContact CG2-CG 4.18Å; D270-F274 WeakPolarHBondContact O-CA 3.23Å; D270-F274 PolarHBondContact O-N 3.47Å; F274-I371 HydrophobicContact CD1-CD1 4.44Å; F274-I371 HydrophobicContact CE1-CD1 3.58Å; F274-I371 HydrophobicContact CZ-CD1 3.78Å
275	G	98.4	Very high	97	Very high	7 Å²	7	34.5 Å²	34.5	7%	0.072	21%	0.211	C	C	.	.			trans	-57.4	137.9	167.5	0	0	0	0	0	110.8	G93 I269 D270 N273	G93-G275 WeakPolarHBondContact O-CA 3.3Å; I269-G275 WeakPolarHBondContact CA-O 3.3Å; D270-G275 PolarHBondContact N-O 2.79Å; N273-G275 PolarHBondContact O-N 3.11Å; N273-G275 WeakPolarHBondContact OD1-CA 3.47Å; N273-G275 PolarHBondContact OD1-N 3.3Å
276	Y	98.7	Very high	97	Very high	14 Å²	14	33.8 Å²	33.8	6%	0.055	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121	179.1	-173	-69.2	0	0	0	109.5	G93 V127 P128 I130 N243 D267 V268 I269 G369	G93-Y276 PolarHBondContact O-N 3.38Å; V127-Y276 HydrophobicContact CB-CD2 4.07Å; V127-Y276 HydrophobicContact CB-CE2 4.2Å; V127-Y276 HydrophobicContact CB-CG 4.44Å; V127-Y276 HydrophobicContact CG1-CD2 3.84Å; V127-Y276 HydrophobicContact CG1-CE2 4.18Å; P128-Y276 HydrophobicContact CG-CD1 3.8Å; P128-Y276 HydrophobicContact CG-CG 4.31Å; I130-Y276 HydrophobicContact CD1-CD1 4.26Å; I130-Y276 HydrophobicContact CD1-CE1 3.76Å; I130-Y276 HydrophobicContact CG1-CE1 4.2Å; N243-Y276 PolarHBondContact ND2-OH 3.18Å; N243-Y276 VanDerWaalsContact ND2-OH 3.1Å; D267-Y276 HydrophobicContact CB-CD1 4.36Å; D267-Y276 HydrophobicContact CB-CE1 3.54Å; D267-Y276 HydrophobicContact CB-CE2 4.23Å; D267-Y276 VanDerWaalsContact CB-CZ 3.46Å; D267-Y276 WeakPolarHBondContact CB-OH 3.35Å; D267-Y276 VanDerWaalsContact OD2-CE1 3.22Å; D267-Y276 WeakPolarHBondContact OD2-CE1 3.4Å; D267-Y276 VanDerWaalsContact OD2-CZ 3.23Å; D267-Y276 PolarHBondContact OD2-OH 3.12Å; V268-Y276 WeakPolarHBondContact O-CA 3.48Å; I269-Y276 HydrophobicContact CG1-CD2 4.04Å; Y276-G369 PolarHBondContact OH-N 3.31Å
277	E	97.9	Very high	97	Very high	115 Å²	115	32.9 Å²	32.9	54%	0.537	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	162.7	179.3	61.1	-177.5	-165.2	0	0	111.8	D267 V268	D267-E277 CarbonylContact C-O 3.5Å; D267-E277 WeakPolarHBondContact CB-O 3.49Å; V268-E277 HydrophobicContact CB-CG 4.11Å; V268-E277 PolarHBondContact N-O 3.33Å; V268-E277 PolarHBondContact O-N 2.79Å
278	T	97.8	Very high	97	Very high	51 Å²	51	32.9 Å²	32.9	31%	0.313	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-72.6	151.9	171.3	-174.5	0	0	0	0	110.3	D282 R367	T278-D282 HydrophobicContact CG2-CB 4.3Å; T278-D282 PolarHBondContact OG1-OD1 2.94Å; T278-R367 PolarHBondContact OG1-NH2 3.08Å
279	Q	95	Very high	96.8	Very high	33 Å²	33	32.3 Å²	32.3	15%	0.154	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-60.4	150.8	166.7	-72.2	-178.5	69.7	0	0	110.6	I266 V268 G281 D282 R296 Y372	I266-Q279 WeakPolarHBondContact O-CG 3.47Å; I266-Q279 PolarHBondContact O-NE2 3.18Å; V268-Q279 HydrophobicContact CG2-CB 4.38Å; V268-Q279 HydrophobicContact CG2-CG 3.55Å; Q279-G281 PolarHBondContact O-N 2.98Å; Q279-D282 PolarHBondContact O-N 2.85Å; Q279-R296 VanDerWaalsContact OE1-CD 3.28Å; Q279-Y372 PolarHBondContact NE2-OH 2.98Å
280	A	90.6	Very high	96.7	Very high	88 Å²	88	32.4 Å²	32.4	73%	0.727	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	131.6	173.5	0	0	0	0	0	111.3	D282 R296	A280-D282 VanDerWaalsContact C-N 3.29Å; A280-D282 PolarHBondContact O-N 2.8Å; A280-R296 PolarHBondContact O-NH1 3.47Å; A280-R296 PolarHBondContact O-NH2 3.4Å; A280-R296 VanDerWaalsContact O-NH2 3.13Å
281	G	91.3	Very high	96.4	Very high	60 Å²	60	32.9 Å²	32.9	62%	0.619	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	-0.6	-176.9	0	0	0	0	0	115.9	Q279 A283	Q279-G281 PolarHBondContact O-N 2.98Å; G281-A283 PolarHBondContact O-N 3.4Å; G281-A283 VanDerWaalsContact O-N 3.13Å
282	D	95.9	Very high	96.3	Very high	65 Å²	65	31.2 Å²	31.2	35%	0.348	19%	0.192	S	C	.	.	S	Bend	trans	48.4	-109.5	176.7	-171.3	44.8	0	0	0	114.1	T278 Q279 A280 M284 R296 R367	T278-D282 HydrophobicContact CG2-CB 4.3Å; T278-D282 PolarHBondContact OG1-OD1 2.94Å; Q279-D282 PolarHBondContact O-N 2.85Å; A280-D282 VanDerWaalsContact C-N 3.29Å; A280-D282 PolarHBondContact O-N 2.8Å; D282-M284 PolarHBondContact O-N 3.5Å; D282-M284 VanDerWaalsContact O-N 3.13Å; D282-R296 PolarHBondContact O-NH2 3.07Å; D282-R367 IonicContact OD1-CZ 2.85Å; D282-R367 VanDerWaalsContact OD1-CZ 3.31Å; D282-R367 IonicContact OD1-NH1 3.43Å; D282-R367 PolarHBondContact OD1-NH1 2.71Å; D282-R367 IonicContact OD1-NH2 3.02Å; D282-R367 PolarHBondContact OD1-NH2 3.4Å; D282-R367 IonicContact OD2-NH1 3.94Å
283	A	96.8	Very high	96.2	Very high	29 Å²	29	34.2 Å²	34.2	24%	0.24	20%	0.201	C	C	.	.	S	Bend	trans	-70.7	106.3	176.8	0	0	0	0	0	111.1	M265 G281 I299 F312	M265-A283 HydrophobicContact SD-CB 4.32Å; G281-A283 PolarHBondContact O-N 3.4Å; G281-A283 VanDerWaalsContact O-N 3.13Å; A283-I299 HydrophobicContact CB-CD1 4.15Å; A283-F312 HydrophobicContact CB-CE1 3.93Å; A283-F312 HydrophobicContact CB-CZ 4.2Å
284	M	97.2	Very high	96.2	Very high	31 Å²	31	35.7 Å²	35.7	15%	0.153	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.6	178	-64.2	-174	78.2	0	0	110.1	D282 R296 I297	D282-M284 PolarHBondContact O-N 3.5Å; D282-M284 VanDerWaalsContact O-N 3.13Å; M284-R296 HydrophobicContact CB-CB 3.99Å; M284-R296 HydrophobicContact CE-CB 4.15Å; M284-R296 WeakPolarHBondContact CE-O 3.44Å; M284-R296 HydrophobicContact SD-CB 3.99Å; M284-R296 PolarHBondContact SD-NH2 3.21Å; M284-I297 WeakPolarHBondContact CB-O 3.38Å; M284-I297 VanDerWaalsContact CE-C 3.43Å
285	R	97.7	Very high	96.1	Very high	5 Å²	5	38 Å²	38	2%	0.019	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	137	175.8	-76.8	159	62.7	87.1	-6.8	110.4	R296 I297 I299 L303 F312 E313 V442 D445	R285-R296 WeakPolarHBondContact O-CA 3.17Å; R285-I297 HydrophobicContact CB-CG1 4.1Å; R285-I297 PolarHBondContact N-O 3.44Å; R285-I297 PolarHBondContact O-N 3.44Å; R285-I299 HydrophobicContact CG-CG1 4.17Å; R285-L303 VanDerWaalsContact CZ-CD1 3.49Å; R285-F312 HydrophobicContact CG-CD2 4.25Å; R285-F312 HydrophobicContact CG-CE2 4.17Å; R285-E313 PolarHBondContact NH1-O 3.27Å; R285-V442 PolarHBondContact NH2-O 2.99Å; R285-D445 IonicContact CZ-OD1 3.2Å; R285-D445 IonicContact CZ-OD2 3.1Å; R285-D445 IonicContact NE-OD1 2.98Å; R285-D445 IonicContact NE-OD2 3.95Å; R285-D445 PolarHBondContact NE-OD2 3.46Å; R285-D445 IonicContact NH2-OD1 2.61Å; R285-D445 PolarHBondContact NH2-OD1 3.25Å; R285-D445 IonicContact NH2-OD2 2.81Å; R285-D445 PolarHBondContact NH2-OD2 2.83Å
286	G	98.4	Very high	96	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	140.7	172.4	0	0	0	0	0	112.3	S314 P315 V316	G286-S314 PolarHBondContact N-OG 2.92Å; G286-S314 VanDerWaalsContact N-OG 3.08Å; G286-P315 WeakPolarHBondContact O-CD 3.37Å; G286-V316 VanDerWaalsContact CA-O 3.24Å; G286-V316 WeakPolarHBondContact CA-O 3.3Å; G286-V316 PolarHBondContact O-N 2.78Å
287	A	98.3	Very high	95.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	-170.1	-174.1	0	0	0	0	0	110.3	K295 I297 L446	A287-K295 HydrophobicContact CB-CB 4.3Å; A287-K295 PolarHBondContact N-O 3.4Å; A287-K295 PolarHBondContact O-N 2.68Å; A287-I297 HydrophobicContact CB-CD1 3.83Å; A287-I297 HydrophobicContact CB-CG1 3.92Å; A287-I297 HydrophobicContact CB-CG2 4.16Å; A287-L446 HydrophobicContact CB-CD1 4.09Å; A287-L446 HydrophobicContact CB-CG 4.3Å
288	F	98.1	Very high	95.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	159.5	173.3	52.4	-87.3	0	0	0	111.9	W290 M292 Y293 V316 Y347 F351 M398 F435 F438 M439 L446	F288-W290 HydrophobicContact CE2-CE3 4.43Å; F288-W290 HydrophobicContact CE2-CH2 4.2Å; F288-W290 HydrophobicContact CE2-CZ2 4.46Å; F288-W290 HydrophobicContact CE2-CZ3 4.19Å; F288-M292 HydrophobicContact CD2-SD 3.99Å; F288-M292 HydrophobicContact CE2-SD 4.33Å; F288-M292 HydrophobicContact CG-SD 4.47Å; F288-Y293 WeakPolarHBondContact CA-O 3.48Å; F288-V316 HydrophobicContact CD1-CG2 3.96Å; F288-V316 HydrophobicContact CE1-CG2 4.13Å; F288-Y347 HydrophobicContact CB-CE1 3.74Å; F288-Y347 HydrophobicContact CD1-CD1 4.3Å; F288-Y347 AromaticContact CD1-CE1 4Å; F288-Y347 HydrophobicContact CD1-CE1 4Å; F288-Y347 HydrophobicContact CG-CE1 4.12Å; F288-F351 AromaticContact CE1-CE1 3.99Å; F288-F351 HydrophobicContact CE1-CE1 3.99Å; F288-F351 AromaticContact CE1-CZ 3.99Å; F288-F351 HydrophobicContact CE1-CZ 3.99Å; F288-F351 HydrophobicContact CZ-CZ 4.33Å; F288-M398 HydrophobicContact CE2-CE 4.28Å; F288-F435 HydrophobicContact CZ-CZ 4Å; F288-F438 HydrophobicContact CE1-CE1 4.39Å; F288-M439 HydrophobicContact CZ-SD 4.23Å; F288-L446 HydrophobicContact CD1-CD1 3.68Å; F288-L446 HydrophobicContact CD2-CD1 4.1Å; F288-L446 HydrophobicContact CE1-CD1 3.51Å; F288-L446 HydrophobicContact CE2-CD1 3.95Å; F288-L446 HydrophobicContact CG-CD1 3.97Å; F288-L446 HydrophobicContact CZ-CD1 3.64Å
289	D	95.4	Very high	95.7	Very high	14 Å²	14	36.1 Å²	36.1	8%	0.075	21%	0.205	C	C	.	.			trans	-90	167.8	159.2	65	24.6	0	0	0	110.7	E291 M292 Y293 K295 Y450	D289-E291 PolarHBondContact O-N 2.82Å; D289-E291 VanDerWaalsContact O-N 3.08Å; D289-E291 WeakPolarHBondContact OD1-CB 3.3Å; D289-E291 PolarHBondContact OD1-N 3.38Å; D289-E291 VanDerWaalsContact OD1-N 3.13Å; D289-M292 WeakPolarHBondContact O-CA 3.3Å; D289-M292 PolarHBondContact O-N 3.36Å; D289-M292 PolarHBondContact OD1-N 2.86Å; D289-Y293 PolarHBondContact N-O 3.2Å; D289-Y293 VanDerWaalsContact N-O 3.12Å; D289-Y293 WeakPolarHBondContact OD1-CB 3.48Å; D289-Y293 PolarHBondContact OD1-N 3.42Å; D289-K295 HydrophobicContact CB-CG 4.45Å; D289-K295 WeakPolarHBondContact OD2-CE 3.49Å; D289-K295 IonicContact OD2-NZ 2.92Å; D289-K295 PolarHBondContact OD2-NZ 3.31Å; D289-Y450 HydrophobicContact CB-CD1 3.67Å; D289-Y450 HydrophobicContact CB-CE1 4.13Å; D289-Y450 HydrophobicContact CB-CG 4.1Å
290	W	95.5	Very high	95.7	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.011	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	9.1	-178.4	-66.2	99.5	0	0	0	114	F288 M398 Y401 Y404 I405 F435 M439 L446 Y450 P452	F288-W290 HydrophobicContact CE2-CE3 4.43Å; F288-W290 HydrophobicContact CE2-CH2 4.2Å; F288-W290 HydrophobicContact CE2-CZ2 4.46Å; F288-W290 HydrophobicContact CE2-CZ3 4.19Å; W290-M398 HydrophobicContact CE3-CE 4.5Å; W290-M398 HydrophobicContact CZ3-CE 3.85Å; W290-Y401 AromaticContact CH2-CD1 3.53Å; W290-Y401 HydrophobicContact CH2-CD1 3.53Å; W290-Y401 HydrophobicContact CH2-CE1 4.46Å; W290-Y401 HydrophobicContact CH2-CG 4.19Å; W290-Y401 HydrophobicContact CZ2-CD1 4.27Å; W290-Y401 HydrophobicContact CZ3-CD1 4.22Å; W290-Y404 HydrophobicContact CE3-CD2 4.4Å; W290-Y404 HydrophobicContact CE3-CG 4.39Å; W290-Y404 HydrophobicContact CH2-CD2 4.34Å; W290-Y404 HydrophobicContact CZ3-CD2 4.15Å; W290-I405 HydrophobicContact CE3-CG1 4.45Å; W290-I405 WeakPolarHBondContact O-CA 3.22Å; W290-F435 HydrophobicContact CH2-CE1 4.49Å; W290-M439 HydrophobicContact CH2-CE 4.32Å; W290-M439 HydrophobicContact CH2-SD 4.46Å; W290-M439 HydrophobicContact CZ2-CE 4.07Å; W290-L446 HydrophobicContact CZ2-CD2 4.41Å; W290-Y450 PolarHBondContact NE1-O 3.37Å; W290-P452 HydrophobicContact CZ2-CB 4.01Å; W290-P452 HydrophobicContact CZ2-CG 3.62Å; W290-P452 VanDerWaalsContact NE1-CA 3.27Å
291	E	93	Very high	95.9	Very high	50 Å²	50	35.9 Å²	35.9	23%	0.234	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	5.1	161.2	-69.5	-179.7	-125.6	0	0	111.8	D289 Y293 R408 R409	D289-E291 PolarHBondContact O-N 2.82Å; D289-E291 VanDerWaalsContact O-N 3.08Å; D289-E291 WeakPolarHBondContact OD1-CB 3.3Å; D289-E291 PolarHBondContact OD1-N 3.38Å; D289-E291 VanDerWaalsContact OD1-N 3.13Å; E291-Y293 VanDerWaalsContact C-N 3.31Å; E291-Y293 HydrophobicContact CB-CD2 3.7Å; E291-Y293 HydrophobicContact CB-CE2 3.84Å; E291-Y293 PolarHBondContact O-N 3.32Å; E291-Y293 WeakPolarHBondContact OE2-CE2 3.45Å; E291-R408 HydrophobicContact CG-CB 4.13Å; E291-R409 IonicContact OE2-CZ 2.95Å; E291-R409 IonicContact OE2-NE 3.82Å; E291-R409 PolarHBondContact OE2-NE 3.12Å; E291-R409 IonicContact OE2-NH2 3.84Å; E291-R409 PolarHBondContact OE2-NH2 3.35Å
292	M	95.5	Very high	96.1	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.039	20%	0.2	C	C	.	.			trans	61.2	34.3	-176.9	-57.1	-68.9	-74.7	0	0	113.4	F288 D289 Y347 F351 L390 M398 I405	F288-M292 HydrophobicContact CD2-SD 3.99Å; F288-M292 HydrophobicContact CE2-SD 4.33Å; F288-M292 HydrophobicContact CG-SD 4.47Å; D289-M292 WeakPolarHBondContact O-CA 3.3Å; D289-M292 PolarHBondContact O-N 3.36Å; D289-M292 PolarHBondContact OD1-N 2.86Å; M292-Y347 HydrophobicContact CB-CE2 4.21Å; M292-Y347 HydrophobicContact CE-CD1 4.02Å; M292-Y347 HydrophobicContact CE-CD2 3.65Å; M292-Y347 HydrophobicContact CE-CE1 4.41Å; M292-Y347 HydrophobicContact CE-CE2 4.05Å; M292-Y347 HydrophobicContact CE-CG 3.63Å; M292-Y347 WeakPolarHBondContact O-CE2 3.43Å; M292-Y347 PolarHBondContact O-OH 3.31Å; M292-F351 HydrophobicContact CE-CE2 4.41Å; M292-F351 HydrophobicContact CE-CZ 4.46Å; M292-L390 HydrophobicContact CB-CD1 3.85Å; M292-L390 HydrophobicContact CB-CD2 3.7Å; M292-L390 HydrophobicContact CB-CG 4.28Å; M292-L390 HydrophobicContact CE-CD2 4.42Å; M292-L390 HydrophobicContact CG-CD2 4.31Å; M292-M398 HydrophobicContact CE-CE 4.41Å; M292-M398 HydrophobicContact CE-SD 3.76Å; M292-M398 HydrophobicContact SD-CE 3.85Å; M292-M398 HydrophobicContact SD-SD 3.89Å; M292-I405 HydrophobicContact CG-CD1 3.56Å; M292-I405 HydrophobicContact CG-CG1 4.06Å; M292-I405 HydrophobicContact SD-CD1 3.71Å; M292-I405 HydrophobicContact SD-CG1 4.37Å
293	Y	94.3	Very high	96	Very high	105 Å²	105	39.2 Å²	39.2	41%	0.412	20%	0.197	S	C	.	.			trans	-83.3	135.7	161.8	-69.5	-79.3	0	0	0	110.1	F288 D289 E291	F288-Y293 WeakPolarHBondContact CA-O 3.48Å; D289-Y293 PolarHBondContact N-O 3.2Å; D289-Y293 VanDerWaalsContact N-O 3.12Å; D289-Y293 WeakPolarHBondContact OD1-CB 3.48Å; D289-Y293 PolarHBondContact OD1-N 3.42Å; E291-Y293 VanDerWaalsContact C-N 3.31Å; E291-Y293 HydrophobicContact CB-CD2 3.7Å; E291-Y293 HydrophobicContact CB-CE2 3.84Å; E291-Y293 PolarHBondContact O-N 3.32Å; E291-Y293 WeakPolarHBondContact OE2-CE2 3.45Å
294	Y	96.3	Very high	95.9	Very high	72 Å²	72	42.9 Å²	42.9	28%	0.282	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	137.5	175.9	173.4	-99.3	0	0	0	110.2	R296 V316 A318 Y347	Y294-R296 HydrophobicContact CE1-CG 3.64Å; Y294-R296 WeakPolarHBondContact OH-CG 3.37Å; Y294-V316 HydrophobicContact CD2-CG1 4.34Å; Y294-A318 HydrophobicContact CE1-CB 4.38Å; Y294-A318 HydrophobicContact CE2-CB 4.45Å; Y294-Y347 VanDerWaalsContact CA-OH 3.23Å; Y294-Y347 WeakPolarHBondContact CA-OH 3.47Å; Y294-Y347 PolarHBondContact N-OH 2.94Å
295	K	95.5	Very high	95.6	Very high	47 Å²	47	47 Å²	47	20%	0.204	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.2	178.7	-59.5	-62	-179.3	-176.4	0	109.8	A287 D289 Y450	A287-K295 HydrophobicContact CB-CB 4.3Å; A287-K295 PolarHBondContact N-O 3.4Å; A287-K295 PolarHBondContact O-N 2.68Å; D289-K295 HydrophobicContact CB-CG 4.45Å; D289-K295 WeakPolarHBondContact OD2-CE 3.49Å; D289-K295 IonicContact OD2-NZ 2.92Å; D289-K295 PolarHBondContact OD2-NZ 3.31Å; K295-Y450 HydrophobicContact CB-CE2 3.74Å; K295-Y450 HydrophobicContact CD-CE1 4.27Å; K295-Y450 HydrophobicContact CD-CE2 4.33Å; K295-Y450 WeakPolarHBondContact CD-OH 3.43Å; K295-Y450 HydrophobicContact CG-CD2 4.31Å; K295-Y450 HydrophobicContact CG-CE1 4.21Å; K295-Y450 HydrophobicContact CG-CE2 3.64Å
296	R	96.3	Very high	95.4	Very high	51 Å²	51	56.3 Å²	56.3	19%	0.192	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.2	167.1	-71.1	172.3	61.9	-112	-1.3	107.8	Q279 A280 D282 M284 R285 Y294	Q279-R296 VanDerWaalsContact OE1-CD 3.28Å; A280-R296 PolarHBondContact O-NH1 3.47Å; A280-R296 PolarHBondContact O-NH2 3.4Å; A280-R296 VanDerWaalsContact O-NH2 3.13Å; D282-R296 PolarHBondContact O-NH2 3.07Å; M284-R296 HydrophobicContact CB-CB 3.99Å; M284-R296 HydrophobicContact CE-CB 4.15Å; M284-R296 WeakPolarHBondContact CE-O 3.44Å; M284-R296 HydrophobicContact SD-CB 3.99Å; M284-R296 PolarHBondContact SD-NH2 3.21Å; R285-R296 WeakPolarHBondContact O-CA 3.17Å; Y294-R296 HydrophobicContact CE1-CG 3.64Å; Y294-R296 WeakPolarHBondContact OH-CG 3.37Å
297	I	95.7	Very high	95.3	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.015	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146.4	177.7	58.7	175.5	0	0	0	109.7	M284 R285 A287 D445 H449 Y450	M284-I297 WeakPolarHBondContact CB-O 3.38Å; M284-I297 VanDerWaalsContact CE-C 3.43Å; R285-I297 HydrophobicContact CB-CG1 4.1Å; R285-I297 PolarHBondContact N-O 3.44Å; R285-I297 PolarHBondContact O-N 3.44Å; A287-I297 HydrophobicContact CB-CD1 3.83Å; A287-I297 HydrophobicContact CB-CG1 3.92Å; A287-I297 HydrophobicContact CB-CG2 4.16Å; I297-D445 HydrophobicContact CD1-CB 4.43Å; I297-H449 HydrophobicContact CG2-CB 3.85Å; I297-Y450 HydrophobicContact CG2-CE2 3.93Å
298	P	95.9	Very high	95.2	Very high	68 Å²	68	64 Å²	64	44%	0.442	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	148.8	-177.4	26.8	-35.3	0	0	0	110.8	P300	P298-P300 VanDerWaalsContact O-CD 3.23Å; P298-P300 WeakPolarHBondContact O-CD 3.3Å
299	I	97.1	Very high	95.1	Very high	27 Å²	27	64 Å²	64	14%	0.138	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-66.9	117.4	174.6	-56.1	175.1	0	0	0	108.5	A283 R285 L303 Q304 F312	A283-I299 HydrophobicContact CB-CD1 4.15Å; R285-I299 HydrophobicContact CG-CG1 4.17Å; I299-L303 HydrophobicContact CG2-CB 4.02Å; I299-Q304 HydrophobicContact CB-CG 4.24Å; I299-Q304 HydrophobicContact CG2-CG 3.79Å; I299-Q304 PolarHBondContact O-NE2 3.36Å; I299-F312 HydrophobicContact CD1-CD1 4.13Å; I299-F312 HydrophobicContact CD1-CD2 3.8Å; I299-F312 HydrophobicContact CD1-CE1 4.15Å; I299-F312 HydrophobicContact CD1-CE2 3.84Å; I299-F312 HydrophobicContact CD1-CG 3.95Å; I299-F312 HydrophobicContact CD1-CZ 4Å; I299-F312 HydrophobicContact CG1-CD2 4.34Å; I299-F312 HydrophobicContact CG1-CE2 4.28Å
300	P	96	Very high	95.3	Very high	16 Å²	16	67.3 Å²	67.3	10%	0.104	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-56.5	142.9	177.7	-24.6	33.7	0	0	0	111.1	P298 Q302 L303 Q304 W444 D445	P298-P300 VanDerWaalsContact O-CD 3.23Å; P298-P300 WeakPolarHBondContact O-CD 3.3Å; P300-Q302 PolarHBondContact O-N 2.95Å; P300-L303 HydrophobicContact CG-CD1 4.28Å; P300-L303 PolarHBondContact O-N 3.05Å; P300-Q304 PolarHBondContact O-N 3.13Å; P300-W444 HydrophobicContact CB-CH2 3.85Å; P300-W444 HydrophobicContact CB-CZ2 4.07Å; P300-W444 HydrophobicContact CG-CH2 4.03Å; P300-W444 HydrophobicContact CG-CZ2 3.98Å; P300-D445 WeakPolarHBondContact CD-OD2 3.46Å; P300-D445 HydrophobicContact CG-CB 3.81Å; P300-D445 VanDerWaalsContact CG-OD2 3.31Å; P300-D445 WeakPolarHBondContact CG-OD2 3.3Å
301	P	94.8	Very high	95.4	Very high	99 Å²	99	68.4 Å²	68.4	64%	0.643	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-52.7	-31.9	-178.8	-29	35.7	0	0	0	114	L303 Q304	P301-L303 VanDerWaalsContact C-N 3.26Å; P301-L303 PolarHBondContact O-N 3.23Å; P301-Q304 PolarHBondContact O-N 2.92Å
302	Q	94.6	Very high	95.7	Very high	141 Å²	141	66.6 Å²	66.6	66%	0.659	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-68.8	-21.6	178.5	-55.1	85.6	3.7	0	0	113.8	P300	P300-Q302 PolarHBondContact O-N 2.95Å
303	L	94.8	Very high	95.8	Very high	54 Å²	54	69.2 Å²	69.2	28%	0.283	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-101.4	-9	179.8	-60.1	-176.1	0	0	0	112.7	R285 I299 P300 P301 K305 W444	R285-L303 VanDerWaalsContact CZ-CD1 3.49Å; I299-L303 HydrophobicContact CG2-CB 4.02Å; P300-L303 HydrophobicContact CG-CD1 4.28Å; P300-L303 PolarHBondContact O-N 3.05Å; P301-L303 VanDerWaalsContact C-N 3.26Å; P301-L303 PolarHBondContact O-N 3.23Å; L303-K305 PolarHBondContact O-N 3.1Å; L303-W444 HydrophobicContact CD1-CZ2 4.03Å; L303-W444 HydrophobicContact CG-CZ2 4.19Å
304	Q	93.2	Very high	96	Very high	107 Å²	107	64.3 Å²	64.3	50%	0.5	31%	0.314	S	S	.	.			trans	-65.8	129.6	178.7	-70	-179.3	9	0	0	110.3	I299 P300 P301	I299-Q304 HydrophobicContact CB-CG 4.24Å; I299-Q304 HydrophobicContact CG2-CG 3.79Å; I299-Q304 PolarHBondContact O-NE2 3.36Å; P300-Q304 PolarHBondContact O-N 3.13Å; P301-Q304 PolarHBondContact O-N 2.92Å
305	K	92.3	Very high	96.1	Very high	116 Å²	116	60.9 Å²	60.9	50%	0.504	30%	0.301	S	S	.	.			trans	-80.7	150.2	174.7	-58.3	-62.2	-177	-179.2	0	109.7	L303 D307 E310	L303-K305 PolarHBondContact O-N 3.1Å; K305-D307 VanDerWaalsContact C-N 3.31Å; K305-D307 WeakPolarHBondContact CB-O 3.49Å; K305-D307 PolarHBondContact O-N 3.34Å; K305-E310 HydrophobicContact CB-CB 4.36Å; K305-E310 HydrophobicContact CG-CB 4.31Å
306	H	92.7	Very high	96.3	Very high	201 Å²	201	58.7 Å²	58.7	93%	0.931	29%	0.291	S	S	*	.	S	Bend	trans	-58.7	-44.5	173.2	177.6	-75.3	0	0	0	111.5
307	D	95.9	Very high	96.4	Very high	33 Å²	33	56.3 Å²	56.3	18%	0.176	28%	0.282	C	S	.	.	S	Bend	trans	-93.9	107.5	167.7	178.5	12.4	0	0	0	109.1	N134 K138 K305 S309 E310	N134-D307 PolarHBondContact ND2-OD1 3.44Å; K138-D307 IonicContact NZ-OD2 3.75Å; K138-D307 PolarHBondContact NZ-OD2 3.48Å; K305-D307 VanDerWaalsContact C-N 3.31Å; K305-D307 WeakPolarHBondContact CB-O 3.49Å; K305-D307 PolarHBondContact O-N 3.34Å; D307-S309 PolarHBondContact O-N 3.22Å; D307-S309 VanDerWaalsContact O-N 3.08Å; D307-S309 WeakPolarHBondContact OD1-CB 3.33Å; D307-S309 PolarHBondContact OD1-N 3.39Å; D307-S309 PolarHBondContact OD1-OG 2.89Å; D307-S309 PolarHBondContact OD2-OG 3.35Å; D307-E310 HydrophobicContact CB-CG 3.89Å; D307-E310 WeakPolarHBondContact O-CB 3.38Å; D307-E310 PolarHBondContact O-N 2.9Å; D307-E310 VanDerWaalsContact O-N 3.07Å
308	Q	95.4	Very high	96.4	Very high	129 Å²	129	57.8 Å²	57.8	60%	0.603	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-8.5	-179.9	-65.7	-179.5	-16.5	0	0	113.5
309	S	97.7	Very high	96.3	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.007	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.9	173.4	72.2	0	0	0	0	114.7	N134 K138 D307 C365	N134-S309 WeakPolarHBondContact CB-OG 3.38Å; K138-S309 WeakPolarHBondContact CE-O 3.23Å; K138-S309 WeakPolarHBondContact CE-OG 3.36Å; K138-S309 PolarHBondContact NZ-OG 3.33Å; K138-S309 VanDerWaalsContact NZ-OG 3.11Å; D307-S309 PolarHBondContact O-N 3.22Å; D307-S309 VanDerWaalsContact O-N 3.08Å; D307-S309 WeakPolarHBondContact OD1-CB 3.33Å; D307-S309 PolarHBondContact OD1-N 3.39Å; D307-S309 PolarHBondContact OD1-OG 2.89Å; D307-S309 PolarHBondContact OD2-OG 3.35Å; S309-C365 PolarHBondContact O-SG 2.04Å
310	E	98.1	Very high	96.1	Very high	83 Å²	83	54 Å²	54	39%	0.388	28%	0.275	S	S	.	.	S	Bend	trans	-75.4	150.8	175.9	-70.6	-65.5	144.5	0	0	112	K138 K305 D307 P364	K138-E310 IonicContact NZ-OE1 2.79Å; K138-E310 PolarHBondContact NZ-OE1 2.91Å; K305-E310 HydrophobicContact CB-CB 4.36Å; K305-E310 HydrophobicContact CG-CB 4.31Å; D307-E310 HydrophobicContact CB-CG 3.89Å; D307-E310 WeakPolarHBondContact O-CB 3.38Å; D307-E310 PolarHBondContact O-N 2.9Å; D307-E310 VanDerWaalsContact O-N 3.07Å; E310-P364 WeakPolarHBondContact O-CD 3.44Å; E310-P364 WeakPolarHBondContact O-CG 3.26Å
311	P	98.5	Very high	96.2	Very high	26 Å²	26	53.3 Å²	53.3	17%	0.169	27%	0.27	C	S	.	.			trans	-51.7	141.1	171.5	-28.5	37.6	0	0	0	113	D362 I363	P311-D362 WeakPolarHBondContact CA-O 3.3Å; P311-I363 HydrophobicContact CB-CD1 3.63Å; P311-I363 HydrophobicContact CG-CD1 3.76Å
312	F	98.5	Very high	96.4	Very high	12 Å²	12	48.7 Å²	48.7	5%	0.053	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149	175.6	68.5	-90.2	0	0	0	111.7	M265 A283 R285 I299 E361 D362 P364	M265-F312 HydrophobicContact CE-CZ 4.24Å; M265-F312 HydrophobicContact SD-CE1 4.2Å; M265-F312 HydrophobicContact SD-CZ 4.4Å; A283-F312 HydrophobicContact CB-CE1 3.93Å; A283-F312 HydrophobicContact CB-CZ 4.2Å; R285-F312 HydrophobicContact CG-CD2 4.25Å; R285-F312 HydrophobicContact CG-CE2 4.17Å; I299-F312 HydrophobicContact CD1-CD1 4.13Å; I299-F312 HydrophobicContact CD1-CD2 3.8Å; I299-F312 HydrophobicContact CD1-CE1 4.15Å; I299-F312 HydrophobicContact CD1-CE2 3.84Å; I299-F312 HydrophobicContact CD1-CG 3.95Å; I299-F312 HydrophobicContact CD1-CZ 4Å; I299-F312 HydrophobicContact CG1-CD2 4.34Å; I299-F312 HydrophobicContact CG1-CE2 4.28Å; F312-E361 CarbonylContact O-C 3.5Å; F312-E361 VanDerWaalsContact O-CA 3.22Å; F312-E361 WeakPolarHBondContact O-CA 3.5Å; F312-D362 HydrophobicContact CD1-CB 4.26Å; F312-D362 HydrophobicContact CD2-CB 4.35Å; F312-D362 HydrophobicContact CE1-CB 3.66Å; F312-D362 HydrophobicContact CE2-CB 3.76Å; F312-D362 HydrophobicContact CZ-CB 3.38Å; F312-D362 PolarHBondContact N-O 3.29Å; F312-D362 VanDerWaalsContact N-O 3.1Å; F312-D362 PolarHBondContact O-N 3Å; F312-P364 HydrophobicContact CD1-CG 3.95Å; F312-P364 HydrophobicContact CE1-CG 3.98Å
313	E	98.5	Very high	96.6	Very high	63 Å²	63	42 Å²	42	29%	0.294	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	136.1	-177.7	-64.2	174.5	-170.9	0	0	111.5	R285 W354 R359 M360 E361	R285-E313 PolarHBondContact NH1-O 3.27Å; E313-W354 HydrophobicContact CB-CH2 4.02Å; E313-W354 HydrophobicContact CB-CZ2 4.13Å; E313-W354 HydrophobicContact CG-CH2 3.96Å; E313-R359 VanDerWaalsContact CD-NH2 3.31Å; E313-R359 VanDerWaalsContact CG-NH2 3.3Å; E313-R359 IonicContact OE1-CZ 2.74Å; E313-R359 IonicContact OE1-NH1 3.48Å; E313-R359 PolarHBondContact OE1-NH1 2.79Å; E313-R359 IonicContact OE1-NH2 3.37Å; E313-R359 PolarHBondContact OE1-NH2 3.22Å; E313-M360 WeakPolarHBondContact CA-O 3.44Å; E313-E361 HydrophobicContact CG-CG 4.44Å
314	S	98.6	Very high	96.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	20%	0.195	C	C	.	.			trans	-125.9	122.5	-179.6	-156.3	0	0	0	0	109.9	G286 V316 W354 M360 D362	G286-S314 PolarHBondContact N-OG 2.92Å; G286-S314 VanDerWaalsContact N-OG 3.08Å; S314-V316 VanDerWaalsContact C-N 3.3Å; S314-V316 PolarHBondContact O-N 3.48Å; S314-W354 PolarHBondContact O-NE1 2.79Å; S314-M360 PolarHBondContact N-O 3.41Å; S314-M360 VanDerWaalsContact O-CB 3.29Å; S314-M360 WeakPolarHBondContact O-CB 3.39Å; S314-M360 WeakPolarHBondContact O-CG 3.38Å; S314-D362 VanDerWaalsContact CB-OD2 3.25Å; S314-D362 WeakPolarHBondContact CB-OD2 3.33Å; S314-D362 PolarHBondContact OG-OD2 3.23Å
315	P	98.8	Very high	97.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.176	C	C	.	.	S	Bend	trans	-61	-38.2	-178.9	-26.4	34.4	0	0	0	113.6	G286 W354 F438 V442 A443	G286-P315 WeakPolarHBondContact O-CD 3.37Å; P315-W354 PolarHBondContact O-NE1 3.13Å; P315-F438 HydrophobicContact CB-CZ 4.05Å; P315-V442 HydrophobicContact CB-CG1 4.1Å; P315-V442 HydrophobicContact CG-CG1 4.36Å; P315-A443 HydrophobicContact CB-CB 4Å; P315-A443 HydrophobicContact CG-CB 4.28Å
316	V	98.8	Very high	97.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-139.2	130.9	-175.8	177.1	0	0	0	0	110.3	G286 F288 Y294 S314 Y347 S350 F351 F438	G286-V316 VanDerWaalsContact CA-O 3.24Å; G286-V316 WeakPolarHBondContact CA-O 3.3Å; G286-V316 PolarHBondContact O-N 2.78Å; F288-V316 HydrophobicContact CD1-CG2 3.96Å; F288-V316 HydrophobicContact CE1-CG2 4.13Å; Y294-V316 HydrophobicContact CD2-CG1 4.34Å; S314-V316 VanDerWaalsContact C-N 3.3Å; S314-V316 PolarHBondContact O-N 3.48Å; V316-Y347 HydrophobicContact CG1-CD1 3.74Å; V316-Y347 HydrophobicContact CG1-CE1 3.79Å; V316-Y347 HydrophobicContact CG2-CD1 4.41Å; V316-S350 WeakPolarHBondContact CA-OG 3.33Å; V316-F351 HydrophobicContact CG2-CE1 4.22Å; V316-F438 HydrophobicContact CG2-CZ 4.37Å
317	M	98.3	Very high	97.7	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.15	C	C	.	.			trans	-76.5	158.4	171.8	68.2	166.6	69.1	0	0	111.9	I261 G319 F322 Q346 I349 S350 M360	I261-M317 HydrophobicContact CG2-CE 3.66Å; M317-G319 VanDerWaalsContact C-N 3.3Å; M317-G319 PolarHBondContact O-N 3.13Å; M317-F322 HydrophobicContact CE-CB 4.09Å; M317-F322 HydrophobicContact CE-CD1 4.07Å; M317-F322 HydrophobicContact CE-CD2 4.01Å; M317-F322 HydrophobicContact CE-CE2 4.43Å; M317-F322 HydrophobicContact CE-CG 3.8Å; M317-F322 HydrophobicContact SD-CB 4.34Å; M317-F322 HydrophobicContact SD-CD1 3.66Å; M317-F322 HydrophobicContact SD-CE1 4.06Å; M317-F322 HydrophobicContact SD-CG 3.98Å; M317-Q346 HydrophobicContact CG-CB 4.21Å; M317-I349 HydrophobicContact CE-CG2 3.68Å; M317-I349 HydrophobicContact CG-CG2 4.41Å; M317-I349 HydrophobicContact SD-CG2 3.81Å; M317-S350 PolarHBondContact N-OG 2.62Å; M317-S350 VanDerWaalsContact N-OG 3.09Å; M317-M360 HydrophobicContact CB-SD 4.17Å; M317-M360 HydrophobicContact CE-CE 3.22Å; M317-M360 HydrophobicContact CE-SD 3.72Å
318	A	96	Very high	97.8	Very high	35 Å²	35	29 Å²	29	29%	0.289	14%	0.143	S	C	.	.			trans	-65.2	-34.7	171.1	0	0	0	0	0	112.6	I266 Y294	I266-A318 HydrophobicContact CD1-CB 3.67Å; Y294-A318 HydrophobicContact CE1-CB 4.38Å; Y294-A318 HydrophobicContact CE2-CB 4.45Å
319	G	93.6	Very high	98	Very high	4 Å²	4	22.9 Å²	22.9	4%	0.041	11%	0.114	C	C	.	.	S	Bend	trans	118.3	-41.8	173.1	0	0	0	0	0	114.6	R221 M317	R221-G319 PolarHBondContact NH1-O 2.88Å; M317-G319 VanDerWaalsContact C-N 3.3Å; M317-G319 PolarHBondContact O-N 3.13Å
320	G	92.4	Very high	98	Very high	10 Å²	10	27.6 Å²	27.6	10%	0.103	13%	0.132	C	C	.	.	S	Bend	trans	-60.4	-47.7	-174.3	0	0	0	0	0	115.2	D237	D237-G320 VanDerWaalsContact OD2-CA 3.27Å; D237-G320 WeakPolarHBondContact OD2-CA 3.13Å
321	L	98.6	Very high	98	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	13%	0.13	C	C	.	.	S	Bend	trans	-128.8	111.1	-161.9	-43.4	-179	0	0	0	109.6	F235 L236 D237 C240 P264 I266 V368 H370	F235-L321 WeakPolarHBondContact O-CA 3.13Å; L236-L321 HydrophobicContact CB-CD2 4.22Å; L236-L321 HydrophobicContact CD2-CB 4.34Å; L236-L321 HydrophobicContact CD2-CD2 3.76Å; L236-L321 HydrophobicContact CD2-CG 4.48Å; D237-L321 HydrophobicContact CB-CD2 4.37Å; D237-L321 VanDerWaalsContact N-CD2 3.32Å; C240-L321 WeakPolarHBondContact SG-CD2 3.26Å; P264-L321 WeakPolarHBondContact CD-O 3.45Å; P264-L321 HydrophobicContact CG-CB 3.91Å; I266-L321 HydrophobicContact CB-CD1 4.44Å; I266-L321 HydrophobicContact CD1-CB 4.23Å; I266-L321 HydrophobicContact CD1-CD1 4.07Å; I266-L321 HydrophobicContact CD1-CG 4.1Å; I266-L321 HydrophobicContact CG1-CD1 3.98Å; I266-L321 HydrophobicContact CG1-CG 4.49Å; I266-L321 HydrophobicContact CG2-CD1 3.95Å; L321-V368 HydrophobicContact CD1-CB 3.87Å; L321-V368 HydrophobicContact CD1-CG1 3.73Å; L321-H370 HydrophobicContact CD1-CB 4.48Å
322	F	98.9	Very high	98	Very high	2 Å²	2	26 Å²	26	1%	0.009	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	160.9	175.5	69.5	-82.5	0	0	0	111.4	T234 F235 I261 V262 M317 V324 Y335	T234-F322 CarbonylContact C-O 3.43Å; T234-F322 WeakPolarHBondContact CA-O 3.47Å; F235-F322 HydrophobicContact CB-CD1 4.25Å; F235-F322 HydrophobicContact CB-CE1 4.03Å; F235-F322 HydrophobicContact CD2-CD1 4.25Å; F235-F322 HydrophobicContact CD2-CD2 4.34Å; F235-F322 AromaticContact CD2-CE1 3.51Å; F235-F322 HydrophobicContact CD2-CE1 3.51Å; F235-F322 AromaticContact CD2-CE2 3.66Å; F235-F322 HydrophobicContact CD2-CE2 3.66Å; F235-F322 AromaticContact CD2-CZ 3.18Å; F235-F322 HydrophobicContact CD2-CZ 3.18Å; F235-F322 HydrophobicContact CE2-CE1 4.26Å; F235-F322 AromaticContact CE2-CE2 3.98Å; F235-F322 HydrophobicContact CE2-CE2 3.98Å; F235-F322 AromaticContact CE2-CZ 3.54Å; F235-F322 HydrophobicContact CE2-CZ 3.54Å; F235-F322 HydrophobicContact CG-CE1 4.04Å; F235-F322 HydrophobicContact CG-CZ 4.14Å; F235-F322 PolarHBondContact N-O 3.07Å; F235-F322 PolarHBondContact O-N 2.92Å; I261-F322 HydrophobicContact CG2-CB 4.07Å; I261-F322 HydrophobicContact CG2-CD2 3.61Å; I261-F322 HydrophobicContact CG2-CE2 4.44Å; I261-F322 HydrophobicContact CG2-CG 4.19Å; V262-F322 CarbonylContact O-C 3.2Å; V262-F322 VanDerWaalsContact O-CA 3.3Å; V262-F322 WeakPolarHBondContact O-CA 3.47Å; M317-F322 HydrophobicContact CE-CB 4.09Å; M317-F322 HydrophobicContact CE-CD1 4.07Å; M317-F322 HydrophobicContact CE-CD2 4.01Å; M317-F322 HydrophobicContact CE-CE2 4.43Å; M317-F322 HydrophobicContact CE-CG 3.8Å; M317-F322 HydrophobicContact SD-CB 4.34Å; M317-F322 HydrophobicContact SD-CD1 3.66Å; M317-F322 HydrophobicContact SD-CE1 4.06Å; M317-F322 HydrophobicContact SD-CG 3.98Å; F322-V324 HydrophobicContact CD2-CB 4.35Å; F322-V324 HydrophobicContact CD2-CG1 4.24Å; F322-V324 HydrophobicContact CE2-CB 4.27Å; F322-V324 HydrophobicContact CE2-CG1 3.78Å; F322-Y335 WeakPolarHBondContact CE1-OH 3.44Å; F322-Y335 WeakPolarHBondContact CZ-OH 3.36Å
323	A	98.9	Very high	98	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.2	171.5	0	0	0	0	0	111.4	V232 I233 T234 M251 I254 V262	V232-A323 HydrophobicContact CG1-CB 3.98Å; I233-A323 CarbonylContact O-C 3.52Å; I233-A323 VanDerWaalsContact O-CA 3.24Å; I233-A323 WeakPolarHBondContact O-CA 3.4Å; T234-A323 HydrophobicContact CG2-CB 4.34Å; M251-A323 HydrophobicContact CE-CB 3.8Å; I254-A323 HydrophobicContact CD1-CB 3.77Å; V262-A323 HydrophobicContact CG2-CB 3.92Å; V262-A323 PolarHBondContact N-O 3.31Å; V262-A323 PolarHBondContact O-N 3.17Å
324	V	98.9	Very high	98	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	139.9	-176.8	60	0	0	0	0	110.6	V232 I233 I261 F322 R326 F329	V232-V324 CarbonylContact C-O 3.4Å; V232-V324 WeakPolarHBondContact CA-O 3.4Å; V232-V324 WeakPolarHBondContact CG1-O 3.24Å; I233-V324 HydrophobicContact CB-CG1 4.17Å; I233-V324 PolarHBondContact N-O 3.37Å; I233-V324 PolarHBondContact O-N 3.34Å; I261-V324 HydrophobicContact CD1-CG2 4.12Å; I261-V324 HydrophobicContact CG1-CB 3.97Å; I261-V324 HydrophobicContact CG1-CG2 3.65Å; F322-V324 HydrophobicContact CD2-CB 4.35Å; F322-V324 HydrophobicContact CD2-CG1 4.24Å; F322-V324 HydrophobicContact CE2-CB 4.27Å; F322-V324 HydrophobicContact CE2-CG1 3.78Å; V324-R326 PolarHBondContact O-N 3.02Å; V324-F329 HydrophobicContact CG1-CB 3.9Å; V324-F329 HydrophobicContact CG1-CD2 3.92Å; V324-F329 HydrophobicContact CG1-CG 4.19Å; V324-F329 HydrophobicContact CG2-CB 4.11Å
325	D	98.9	Very high	98	Very high	20 Å²	20	24 Å²	24	11%	0.107	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	129.9	169.9	171.3	-96.8	0	0	0	110.6	I254 R258 K327 W328 F329	I254-D325 HydrophobicContact CG2-CB 4.05Å; R258-D325 WeakPolarHBondContact CD-OD1 3.09Å; R258-D325 HydrophobicContact CG-CB 3.47Å; R258-D325 VanDerWaalsContact CG-CB 3.47Å; R258-D325 WeakPolarHBondContact CG-OD1 3.35Å; R258-D325 WeakPolarHBondContact CG-OD2 3.25Å; R258-D325 IonicContact CZ-OD1 2.75Å; R258-D325 IonicContact NE-OD1 3.72Å; R258-D325 IonicContact NH1-OD1 3.81Å; R258-D325 PolarHBondContact NH1-OD1 2.73Å; R258-D325 WeakPolarHBondContact O-CB 3.31Å; D325-K327 VanDerWaalsContact C-N 3.31Å; D325-K327 PolarHBondContact O-N 3.44Å; D325-K327 WeakPolarHBondContact OD1-CA 3.5Å; D325-K327 WeakPolarHBondContact OD1-CB 3.24Å; D325-K327 PolarHBondContact OD1-N 3.05Å; D325-K327 VanDerWaalsContact OD1-N 3.12Å; D325-W328 HydrophobicContact CB-CB 3.91Å; D325-W328 WeakPolarHBondContact O-CB 3.27Å; D325-W328 PolarHBondContact O-N 2.77Å; D325-W328 VanDerWaalsContact O-N 3.11Å; D325-W328 PolarHBondContact OD1-N 2.62Å; D325-F329 PolarHBondContact O-N 2.85Å
326	R	98.9	Very high	97.9	Very high	78 Å²	78	24.1 Å²	24.1	29%	0.294	12%	0.122	S	C	.	.	H	α-helix	trans	-61.4	-39.5	-172.4	-179.7	169.2	64.1	80.9	1	112.2	A228 G230 E231 I233 V324 W330	A228-R326 WeakPolarHBondContact O-CD 2.97Å; G230-R326 WeakPolarHBondContact O-CD 3.09Å; G230-R326 PolarHBondContact O-NE 3.19Å; E231-R326 VanDerWaalsContact O-CB 3.26Å; E231-R326 WeakPolarHBondContact O-CB 3.45Å; E231-R326 PolarHBondContact O-N 2.67Å; I233-R326 HydrophobicContact CD1-CB 4.27Å; I233-R326 HydrophobicContact CD1-CG 3.94Å; I233-R326 HydrophobicContact CG1-CB 3.88Å; I233-R326 HydrophobicContact CG1-CG 3.93Å; V324-R326 PolarHBondContact O-N 3.02Å; R326-W330 PolarHBondContact O-N 3.44Å
327	K	98.8	Very high	97.8	Very high	137 Å²	137	28.4 Å²	28.4	60%	0.596	15%	0.148	S	C	*	.	H	α-helix	trans	-67.6	-42.1	177.9	-65.7	176.7	-180	174.6	0	110.1	D325 F329 W330 E331	D325-K327 VanDerWaalsContact C-N 3.31Å; D325-K327 PolarHBondContact O-N 3.44Å; D325-K327 WeakPolarHBondContact OD1-CA 3.5Å; D325-K327 WeakPolarHBondContact OD1-CB 3.24Å; D325-K327 PolarHBondContact OD1-N 3.05Å; D325-K327 VanDerWaalsContact OD1-N 3.12Å; K327-F329 VanDerWaalsContact C-N 3.35Å; K327-F329 PolarHBondContact O-N 2.98Å; K327-W330 PolarHBondContact O-N 3.22Å; K327-E331 VanDerWaalsContact O-CG 3.31Å; K327-E331 WeakPolarHBondContact O-CG 3.37Å; K327-E331 PolarHBondContact O-N 3.28Å
328	W	98.8	Very high	97.6	Very high	5 Å²	5	29 Å²	29	2%	0.019	15%	0.154	C	C	.	.	H	α-helix	trans	-62.6	-41.8	178.8	-178.2	-131.4	0	0	0	112	K259 D325 W330 E331 L332	K259-W328 HydrophobicContact CB-CD2 4.24Å; K259-W328 HydrophobicContact CB-CZ2 4.2Å; K259-W328 HydrophobicContact CD-CD2 4.49Å; K259-W328 HydrophobicContact CD-CE3 4.22Å; K259-W328 HydrophobicContact CD-CH2 4.01Å; K259-W328 HydrophobicContact CD-CZ2 4.23Å; K259-W328 HydrophobicContact CD-CZ3 4Å; K259-W328 HydrophobicContact CG-CD2 3.91Å; K259-W328 HydrophobicContact CG-CE3 4.02Å; K259-W328 HydrophobicContact CG-CG 4.42Å; K259-W328 HydrophobicContact CG-CH2 4.43Å; K259-W328 HydrophobicContact CG-CZ2 4.28Å; K259-W328 HydrophobicContact CG-CZ3 4.3Å; K259-W328 PolarHBondContact O-NE1 3.14Å; D325-W328 HydrophobicContact CB-CB 3.91Å; D325-W328 WeakPolarHBondContact O-CB 3.27Å; D325-W328 PolarHBondContact O-N 2.77Å; D325-W328 VanDerWaalsContact O-N 3.11Å; D325-W328 PolarHBondContact OD1-N 2.62Å; W328-W330 VanDerWaalsContact C-N 3.28Å; W328-W330 PolarHBondContact O-N 2.77Å; W328-E331 HydrophobicContact CE3-CB 3.84Å; W328-E331 HydrophobicContact CZ3-CB 4.14Å; W328-E331 PolarHBondContact O-N 3.19Å; W328-L332 HydrophobicContact CD2-CD1 4.28Å; W328-L332 HydrophobicContact CD2-CG 4.11Å; W328-L332 HydrophobicContact CE3-CG 4.35Å; W328-L332 HydrophobicContact CH2-CD2 3.52Å; W328-L332 HydrophobicContact CH2-CG 4.01Å; W328-L332 HydrophobicContact CZ2-CD1 3.87Å; W328-L332 HydrophobicContact CZ2-CD2 3.53Å; W328-L332 HydrophobicContact CZ2-CG 3.78Å; W328-L332 HydrophobicContact CZ3-CD2 4.12Å; W328-L332 HydrophobicContact CZ3-CG 4.29Å; W328-L332 WeakPolarHBondContact O-CG 3.39Å; W328-L332 PolarHBondContact O-N 2.8Å
329	F	98.9	Very high	97.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-55.7	-44	174.8	-177.4	-103.8	0	0	0	112.1	L222 A225 I233 F235 V324 D325 K327 L332 G333 G334 Y335	L222-F329 HydrophobicContact CD2-CE1 4.06Å; L222-F329 HydrophobicContact CD2-CZ 4.03Å; A225-F329 HydrophobicContact CB-CD1 4.22Å; A225-F329 HydrophobicContact CB-CE1 3.7Å; A225-F329 HydrophobicContact CB-CZ 4.49Å; I233-F329 HydrophobicContact CD1-CB 4.28Å; I233-F329 HydrophobicContact CD1-CD1 3.88Å; I233-F329 HydrophobicContact CD1-CG 4.18Å; F235-F329 HydrophobicContact CE2-CE2 4.33Å; F235-F329 HydrophobicContact CE2-CZ 4.46Å; F235-F329 HydrophobicContact CZ-CZ 4.39Å; V324-F329 HydrophobicContact CG1-CB 3.9Å; V324-F329 HydrophobicContact CG1-CD2 3.92Å; V324-F329 HydrophobicContact CG1-CG 4.19Å; V324-F329 HydrophobicContact CG2-CB 4.11Å; D325-F329 PolarHBondContact O-N 2.85Å; K327-F329 VanDerWaalsContact C-N 3.35Å; K327-F329 PolarHBondContact O-N 2.98Å; F329-L332 PolarHBondContact O-N 3.24Å; F329-G333 PolarHBondContact O-N 2.67Å; F329-G334 WeakPolarHBondContact O-CA 3.43Å; F329-G334 PolarHBondContact O-N 3.46Å; F329-Y335 HydrophobicContact CE2-CE2 4.41Å; F329-Y335 HydrophobicContact CZ-CD2 4.2Å; F329-Y335 HydrophobicContact CZ-CE2 4.31Å
330	W	98.7	Very high	97.3	Very high	99 Å²	99	28.7 Å²	28.7	38%	0.375	15%	0.146	S	C	.	.	H	α-helix	trans	-78.7	-29.4	178.7	-68.4	119.1	0	0	0	114	L222 A225 A226 R326 K327 W328 L332 G333	L222-W330 HydrophobicContact CD2-CH2 4.04Å; L222-W330 HydrophobicContact CD2-CZ3 4.17Å; A225-W330 HydrophobicContact CB-CH2 4.29Å; A225-W330 HydrophobicContact CB-CZ2 3.66Å; A226-W330 HydrophobicContact CB-CH2 4.36Å; A226-W330 HydrophobicContact CB-CZ2 4.09Å; R326-W330 PolarHBondContact O-N 3.44Å; K327-W330 PolarHBondContact O-N 3.22Å; W328-W330 VanDerWaalsContact C-N 3.28Å; W328-W330 PolarHBondContact O-N 2.77Å; W330-L332 PolarHBondContact O-N 3.38Å; W330-G333 WeakPolarHBondContact O-CA 3.37Å; W330-G333 PolarHBondContact O-N 2.81Å
331	E	98.6	Very high	97	Very high	76 Å²	76	28.8 Å²	28.8	36%	0.355	14%	0.144	S	C	.	.	H	α-helix	trans	-60.5	-36.6	168.8	-75.3	164.7	-129.5	0	0	111.1	R258 K327 W328 G333	R258-E331 IonicContact CZ-OE1 2.65Å; R258-E331 VanDerWaalsContact CZ-OE1 3.26Å; R258-E331 IonicContact CZ-OE2 2.8Å; R258-E331 IonicContact NH1-OE1 3.5Å; R258-E331 PolarHBondContact NH1-OE1 2.91Å; R258-E331 IonicContact NH1-OE2 2.65Å; R258-E331 VanDerWaalsContact NH2-CD 3.29Å; R258-E331 IonicContact NH2-OE1 2.76Å; R258-E331 PolarHBondContact NH2-OE1 3.03Å; R258-E331 IonicContact NH2-OE2 3.23Å; R258-E331 PolarHBondContact NH2-OE2 2.92Å; K327-E331 VanDerWaalsContact O-CG 3.31Å; K327-E331 WeakPolarHBondContact O-CG 3.37Å; K327-E331 PolarHBondContact O-N 3.28Å; W328-E331 HydrophobicContact CE3-CB 3.84Å; W328-E331 HydrophobicContact CZ3-CB 4.14Å; W328-E331 PolarHBondContact O-N 3.19Å; E331-G333 PolarHBondContact O-N 2.78Å
332	L	98.6	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	0.1	171.6	-68	179.2	0	0	0	114	W328 F329 W330 G334 I349 K352 V353 C356 L430	W328-L332 HydrophobicContact CD2-CD1 4.28Å; W328-L332 HydrophobicContact CD2-CG 4.11Å; W328-L332 HydrophobicContact CE3-CG 4.35Å; W328-L332 HydrophobicContact CH2-CD2 3.52Å; W328-L332 HydrophobicContact CH2-CG 4.01Å; W328-L332 HydrophobicContact CZ2-CD1 3.87Å; W328-L332 HydrophobicContact CZ2-CD2 3.53Å; W328-L332 HydrophobicContact CZ2-CG 3.78Å; W328-L332 HydrophobicContact CZ3-CD2 4.12Å; W328-L332 HydrophobicContact CZ3-CG 4.29Å; W328-L332 WeakPolarHBondContact O-CG 3.39Å; W328-L332 PolarHBondContact O-N 2.8Å; F329-L332 PolarHBondContact O-N 3.24Å; W330-L332 PolarHBondContact O-N 3.38Å; L332-G334 VanDerWaalsContact C-N 3.3Å; L332-G334 PolarHBondContact O-N 2.87Å; L332-I349 HydrophobicContact CD1-CD1 4Å; L332-K352 HydrophobicContact CD2-CB 4.31Å; L332-K352 WeakPolarHBondContact O-CE 3.28Å; L332-K352 PolarHBondContact O-NZ 3.35Å; L332-V353 HydrophobicContact CD1-CB 4.36Å; L332-C356 HydrophobicContact CD2-CB 4.14Å; L332-L430 HydrophobicContact CD2-CD1 4.33Å
333	G	98.1	Very high	96.2	Very high	31 Å²	31	34.9 Å²	34.9	32%	0.32	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	14.1	-176.9	0	0	0	0	0	114.6	F329 W330 E331	F329-G333 PolarHBondContact O-N 2.67Å; W330-G333 WeakPolarHBondContact O-CA 3.37Å; W330-G333 PolarHBondContact O-N 2.81Å; E331-G333 PolarHBondContact O-N 2.78Å
334	G	97.9	Very high	96	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	59.4	-143.1	-171.5	0	0	0	0	0	112.1	F329 L332 K352	F329-G334 WeakPolarHBondContact O-CA 3.43Å; F329-G334 PolarHBondContact O-N 3.46Å; L332-G334 VanDerWaalsContact C-N 3.3Å; L332-G334 PolarHBondContact O-N 2.87Å; G334-K352 PolarHBondContact O-NZ 2.87Å
335	Y	98.3	Very high	95.9	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.008	17%	0.168	C	C	.	.	S	Bend	trans	-87.5	153.6	170.6	-63	-57.5	0	0	0	112.7	I218 R221 L222 F322 F329 T337 E345 E348 I349	I218-Y335 VanDerWaalsContact CG2-CB 3.48Å; I218-Y335 HydrophobicContact CG2-CD2 3.97Å; I218-Y335 HydrophobicContact CG2-CG 3.89Å; R221-Y335 HydrophobicContact CB-CE2 4.22Å; L222-Y335 HydrophobicContact CD2-CD2 4.28Å; L222-Y335 HydrophobicContact CG-CD2 4.3Å; F322-Y335 WeakPolarHBondContact CE1-OH 3.44Å; F322-Y335 WeakPolarHBondContact CZ-OH 3.36Å; F329-Y335 HydrophobicContact CE2-CE2 4.41Å; F329-Y335 HydrophobicContact CZ-CD2 4.2Å; F329-Y335 HydrophobicContact CZ-CE2 4.31Å; Y335-T337 PolarHBondContact O-N 3.28Å; Y335-T337 VanDerWaalsContact O-N 3.11Å; Y335-E345 HydrophobicContact CD1-CB 3.75Å; Y335-E345 HydrophobicContact CE1-CB 3.71Å; Y335-E345 HydrophobicContact CE1-CG 4.16Å; Y335-E345 WeakPolarHBondContact CE1-O 3.25Å; Y335-E345 HydrophobicContact CG-CB 4.29Å; Y335-E348 WeakPolarHBondContact CA-OE2 3.44Å; Y335-I349 HydrophobicContact CD1-CB 4.32Å; Y335-I349 HydrophobicContact CE1-CB 3.77Å; Y335-I349 HydrophobicContact CE1-CG1 4.35Å; Y335-I349 HydrophobicContact CE1-CG2 3.95Å
336	D	97.9	Very high	95.8	Very high	5 Å²	5	35 Å²	35	3%	0.027	17%	0.166	C	C	.	.			trans	-62.7	111.9	168.7	173.6	21.2	0	0	0	110.2	G338 L339 E348 R392 Q423	D336-G338 PolarHBondContact O-N 2.89Å; D336-G338 VanDerWaalsContact O-N 3.08Å; D336-G338 PolarHBondContact OD1-N 3.09Å; D336-L339 HydrophobicContact CB-CD1 4.19Å; D336-L339 HydrophobicContact CB-CG 3.96Å; D336-L339 VanDerWaalsContact O-CB 3.29Å; D336-L339 WeakPolarHBondContact O-CB 3.37Å; D336-L339 WeakPolarHBondContact O-CG 3.32Å; D336-L339 PolarHBondContact O-N 2.99Å; D336-E348 WeakPolarHBondContact CB-OE1 3.05Å; D336-E348 VanDerWaalsContact N-CD 3.3Å; D336-E348 PolarHBondContact N-OE1 2.86Å; D336-E348 PolarHBondContact N-OE2 2.62Å; D336-R392 IonicContact OD1-CZ 3.91Å; D336-R392 IonicContact OD1-NH2 2.66Å; D336-R392 PolarHBondContact OD1-NH2 3.4Å; D336-R392 IonicContact OD2-CZ 2.72Å; D336-R392 IonicContact OD2-NE 2.77Å; D336-R392 PolarHBondContact OD2-NE 2.81Å; D336-R392 IonicContact OD2-NH2 3.52Å; D336-R392 PolarHBondContact OD2-NH2 3.09Å; D336-Q423 HydrophobicContact CB-CG 4.12Å; D336-Q423 PolarHBondContact OD1-NE2 2.74Å
337	T	95.3	Very high	95.8	Very high	89 Å²	89	31.3 Å²	31.3	55%	0.546	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.7	178.1	60	0	0	0	0	113.8	R219 L222 Y335 L339	R219-T337 PolarHBondContact NE-O 2.67Å; R219-T337 PolarHBondContact NH2-O 3.06Å; L222-T337 HydrophobicContact CD1-CG2 3.82Å; Y335-T337 PolarHBondContact O-N 3.28Å; Y335-T337 VanDerWaalsContact O-N 3.11Å; T337-L339 VanDerWaalsContact C-N 3.29Å
338	G	94.8	Very high	95.8	Very high	13 Å²	13	24.9 Å²	24.9	13%	0.134	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-11.1	173.2	0	0	0	0	0	114.5	D336	D336-G338 PolarHBondContact O-N 2.89Å; D336-G338 VanDerWaalsContact O-N 3.08Å; D336-G338 PolarHBondContact OD1-N 3.09Å
339	L	94.2	Very high	95.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.			trans	-70.3	135.7	168.3	-58.8	175.4	0	0	0	109.7	I218 D336 T337 E345 N389 R392 V393	I218-L339 HydrophobicContact CB-CB 4.42Å; I218-L339 HydrophobicContact CD1-CB 4.47Å; I218-L339 HydrophobicContact CG1-CB 4.18Å; I218-L339 HydrophobicContact CG2-CB 4.17Å; I218-L339 HydrophobicContact CG2-CD1 4.45Å; D336-L339 HydrophobicContact CB-CD1 4.19Å; D336-L339 HydrophobicContact CB-CG 3.96Å; D336-L339 VanDerWaalsContact O-CB 3.29Å; D336-L339 WeakPolarHBondContact O-CB 3.37Å; D336-L339 WeakPolarHBondContact O-CG 3.32Å; D336-L339 PolarHBondContact O-N 2.99Å; T337-L339 VanDerWaalsContact C-N 3.29Å; L339-E345 HydrophobicContact CD1-CB 4.02Å; L339-N389 WeakPolarHBondContact CA-OD1 3.35Å; L339-N389 HydrophobicContact CD2-CB 3.75Å; L339-R392 HydrophobicContact CD2-CB 4.43Å; L339-V393 HydrophobicContact CD2-CG2 4.21Å
340	E	89.7	Confident	95.8	Very high	33 Å²	33	24.6 Å²	24.6	15%	0.154	12%	0.124	C	C	.	.			trans	-96	-137.3	-173.5	-57.7	-169.8	128.5	0	0	111.9	I218 W342 V384 R388 N389	I218-E340 WeakPolarHBondContact CD1-O 3.14Å; E340-W342 PolarHBondContact O-N 3.22Å; E340-V384 HydrophobicContact CB-CG1 3.45Å; E340-V384 VanDerWaalsContact CB-CG1 3.45Å; E340-V384 HydrophobicContact CB-CG2 4.44Å; E340-V384 HydrophobicContact CG-CG1 4.27Å; E340-V384 WeakPolarHBondContact OE2-CG1 3.12Å; E340-V384 WeakPolarHBondContact OE2-CG2 3.2Å; E340-R388 IonicContact OE1-CZ 3.37Å; E340-R388 IonicContact OE1-NH1 3.69Å; E340-R388 PolarHBondContact OE1-NH1 3.2Å; E340-R388 IonicContact OE2-CZ 3.5Å; E340-R388 IonicContact OE2-NH1 3.63Å; E340-R388 PolarHBondContact OE2-NH1 2.8Å; E340-R388 VanDerWaalsContact OE2-NH1 3.16Å; E340-N389 PolarHBondContact N-ND2 2.91Å; E340-N389 PolarHBondContact N-OD1 2.05Å
341	I	85.5	Confident	95.8	Very high	13 Å²	13	19.9 Å²	19.9	7%	0.067	11%	0.106	C	C	.	.	S	Bend	trans	-60.7	-46.2	-162.6	-62.2	-62	0	0	0	114.5	R214 L217 Y378 V380 V384	R214-I341 HydrophobicContact CG-CD1 4.14Å; L217-I341 WeakPolarHBondContact CB-O 3.35Å; L217-I341 PolarHBondContact N-O 3.14Å; I341-Y378 HydrophobicContact CG2-CE2 4.25Å; I341-V380 HydrophobicContact CB-CG1 4.28Å; I341-V380 HydrophobicContact CG1-CG1 4.06Å; I341-V380 HydrophobicContact CG2-CG2 4.42Å; I341-V384 HydrophobicContact CB-CG1 4.43Å; I341-V384 HydrophobicContact CG1-CG1 4.14Å
342	W	89.7	Confident	95.8	Very high	131 Å²	131	16.3 Å²	16.3	50%	0.496	9%	0.089	S	C	.	.	S	Bend	trans	-158.9	143.7	-173.6	178	84	0	0	0	111.8	E340 L386 N389	E340-W342 PolarHBondContact O-N 3.22Å; W342-L386 HydrophobicContact CE3-CD1 4.15Å; W342-L386 HydrophobicContact CZ3-CD1 4.07Å; W342-L386 HydrophobicContact CZ3-CD2 4.02Å; W342-N389 PolarHBondContact O-ND2 3.33Å
343	G	90	Very high	95.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	87.1	142.5	169.3	0	0	0	0	0	114	E345 N389	G343-E345 WeakPolarHBondContact CA-OE2 3.37Å; G343-E345 PolarHBondContact N-OE2 3.41Å; G343-N389 WeakPolarHBondContact O-CB 3.48Å; G343-N389 PolarHBondContact O-ND2 3.42Å
344	G	94.5	Very high	95.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	106	-35.2	-178	0	0	0	0	0	112.7	Q346 Y347 E348	G344-Q346 VanDerWaalsContact C-N 3.27Å; G344-Q346 VanDerWaalsContact C-OE1 3.28Å; G344-Q346 PolarHBondContact O-N 2.97Å; G344-Y347 WeakPolarHBondContact O-CB 3.04Å; G344-Y347 PolarHBondContact O-N 2.83Å; G344-Y347 VanDerWaalsContact O-N 3.08Å; G344-E348 PolarHBondContact O-N 3.12Å
345	E	97.2	Very high	95.9	Very high	5 Å²	5	15.5 Å²	15.5	2%	0.023	8%	0.076	C	C	.	.	H	α-helix	trans	-62.2	-33.4	-175.7	72.8	-77.9	-170.6	0	0	113.4	I218 Y335 L339 G343 Y347 E348 I349	I218-E345 HydrophobicContact CD1-CG 4.5Å; I218-E345 HydrophobicContact CG1-CB 3.62Å; I218-E345 HydrophobicContact CG1-CG 3.8Å; I218-E345 HydrophobicContact CG2-CB 4.43Å; Y335-E345 HydrophobicContact CD1-CB 3.75Å; Y335-E345 HydrophobicContact CE1-CB 3.71Å; Y335-E345 HydrophobicContact CE1-CG 4.16Å; Y335-E345 WeakPolarHBondContact CE1-O 3.25Å; Y335-E345 HydrophobicContact CG-CB 4.29Å; L339-E345 HydrophobicContact CD1-CB 4.02Å; G343-E345 WeakPolarHBondContact CA-OE2 3.37Å; G343-E345 PolarHBondContact N-OE2 3.41Å; E345-Y347 VanDerWaalsContact C-N 3.31Å; E345-Y347 PolarHBondContact O-N 2.7Å; E345-E348 PolarHBondContact O-N 3.37Å; E345-I349 VanDerWaalsContact O-CG2 3.3Å; E345-I349 WeakPolarHBondContact O-CG2 3.01Å; E345-I349 PolarHBondContact O-N 3.48Å
346	Q	98.2	Very high	95.9	Very high	17 Å²	17	16 Å²	16	8%	0.079	8%	0.08	C	C	.	.	H	α-helix	trans	-67.3	-35.3	177.6	75.3	-81.1	40.7	0	0	111.5	M317 G344 S350	M317-Q346 HydrophobicContact CG-CB 4.21Å; G344-Q346 VanDerWaalsContact C-N 3.27Å; G344-Q346 VanDerWaalsContact C-OE1 3.28Å; G344-Q346 PolarHBondContact O-N 2.97Å; Q346-S350 WeakPolarHBondContact O-CB 3.15Å; Q346-S350 PolarHBondContact O-N 2.97Å; Q346-S350 PolarHBondContact O-OG 3.32Å
347	Y	98.8	Very high	96	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.008	11%	0.105	C	C	.	.	H	α-helix	trans	-73.9	-47.3	175.5	-63.6	-59.8	0	0	0	110.7	F288 M292 Y294 V316 G344 E345 I349 S350 F351 L390	F288-Y347 HydrophobicContact CB-CE1 3.74Å; F288-Y347 HydrophobicContact CD1-CD1 4.3Å; F288-Y347 AromaticContact CD1-CE1 4Å; F288-Y347 HydrophobicContact CD1-CE1 4Å; F288-Y347 HydrophobicContact CG-CE1 4.12Å; M292-Y347 HydrophobicContact CB-CE2 4.21Å; M292-Y347 HydrophobicContact CE-CD1 4.02Å; M292-Y347 HydrophobicContact CE-CD2 3.65Å; M292-Y347 HydrophobicContact CE-CE1 4.41Å; M292-Y347 HydrophobicContact CE-CE2 4.05Å; M292-Y347 HydrophobicContact CE-CG 3.63Å; M292-Y347 WeakPolarHBondContact O-CE2 3.43Å; M292-Y347 PolarHBondContact O-OH 3.31Å; Y294-Y347 VanDerWaalsContact CA-OH 3.23Å; Y294-Y347 WeakPolarHBondContact CA-OH 3.47Å; Y294-Y347 PolarHBondContact N-OH 2.94Å; V316-Y347 HydrophobicContact CG1-CD1 3.74Å; V316-Y347 HydrophobicContact CG1-CE1 3.79Å; V316-Y347 HydrophobicContact CG2-CD1 4.41Å; G344-Y347 WeakPolarHBondContact O-CB 3.04Å; G344-Y347 PolarHBondContact O-N 2.83Å; G344-Y347 VanDerWaalsContact O-N 3.08Å; E345-Y347 VanDerWaalsContact C-N 3.31Å; E345-Y347 PolarHBondContact O-N 2.7Å; Y347-I349 PolarHBondContact O-N 3.3Å; Y347-S350 PolarHBondContact O-N 3.22Å; Y347-F351 HydrophobicContact CD1-CZ 4.19Å; Y347-F351 HydrophobicContact CG-CZ 4.48Å; Y347-F351 WeakPolarHBondContact O-CB 3.43Å; Y347-F351 VanDerWaalsContact O-CD2 3.24Å; Y347-F351 WeakPolarHBondContact O-CD2 3.43Å; Y347-F351 WeakPolarHBondContact O-CG 3.3Å; Y347-F351 PolarHBondContact O-N 3.08Å; Y347-L390 HydrophobicContact CD2-CD2 4.02Å; Y347-L390 HydrophobicContact CE2-CD2 4.11Å
348	E	98.8	Very high	96.1	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-54	-53.2	-180	-166.8	-155	-177.7	0	0	111.9	Y335 D336 G344 E345 S350 F351 K352 V393	Y335-E348 WeakPolarHBondContact CA-OE2 3.44Å; D336-E348 WeakPolarHBondContact CB-OE1 3.05Å; D336-E348 VanDerWaalsContact N-CD 3.3Å; D336-E348 PolarHBondContact N-OE1 2.86Å; D336-E348 PolarHBondContact N-OE2 2.62Å; G344-E348 PolarHBondContact O-N 3.12Å; E345-E348 PolarHBondContact O-N 3.37Å; E348-S350 VanDerWaalsContact C-N 3.34Å; E348-S350 PolarHBondContact O-N 2.85Å; E348-F351 PolarHBondContact O-N 2.93Å; E348-K352 HydrophobicContact CG-CD 4.22Å; E348-K352 WeakPolarHBondContact O-CB 3.48Å; E348-K352 WeakPolarHBondContact O-CG 3.29Å; E348-K352 PolarHBondContact O-N 3.05Å; E348-K352 VanDerWaalsContact OE1-CE 3.25Å; E348-K352 WeakPolarHBondContact OE1-CE 3.42Å; E348-K352 IonicContact OE1-NZ 3.57Å; E348-K352 PolarHBondContact OE1-NZ 2.95Å; E348-V393 HydrophobicContact CB-CG2 4.05Å
349	I	98.8	Very high	96.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-69.9	-32.8	-177.8	-164.1	62.6	0	0	0	112.3	I261 M317 L332 Y335 E345 Y347 K352 V353	I261-I349 HydrophobicContact CD1-CD1 4.33Å; I261-I349 HydrophobicContact CD1-CG1 3.83Å; M317-I349 HydrophobicContact CE-CG2 3.68Å; M317-I349 HydrophobicContact CG-CG2 4.41Å; M317-I349 HydrophobicContact SD-CG2 3.81Å; L332-I349 HydrophobicContact CD1-CD1 4Å; Y335-I349 HydrophobicContact CD1-CB 4.32Å; Y335-I349 HydrophobicContact CE1-CB 3.77Å; Y335-I349 HydrophobicContact CE1-CG1 4.35Å; Y335-I349 HydrophobicContact CE1-CG2 3.95Å; E345-I349 VanDerWaalsContact O-CG2 3.3Å; E345-I349 WeakPolarHBondContact O-CG2 3.01Å; E345-I349 PolarHBondContact O-N 3.48Å; Y347-I349 PolarHBondContact O-N 3.3Å; I349-K352 HydrophobicContact CD1-CB 4.49Å; I349-K352 HydrophobicContact CD1-CD 4.34Å; I349-V353 WeakPolarHBondContact O-CB 3.36Å; I349-V353 VanDerWaalsContact O-CG1 3.26Å; I349-V353 WeakPolarHBondContact O-CG1 3.34Å; I349-V353 PolarHBondContact O-N 3.47Å
350	S	98.9	Very high	96.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.4	-38.4	175.7	-61.7	0	0	0	0	111.7	V316 M317 Q346 Y347 E348 V353 W354	V316-S350 WeakPolarHBondContact CA-OG 3.33Å; M317-S350 PolarHBondContact N-OG 2.62Å; M317-S350 VanDerWaalsContact N-OG 3.09Å; Q346-S350 WeakPolarHBondContact O-CB 3.15Å; Q346-S350 PolarHBondContact O-N 2.97Å; Q346-S350 PolarHBondContact O-OG 3.32Å; Y347-S350 PolarHBondContact O-N 3.22Å; E348-S350 VanDerWaalsContact C-N 3.34Å; E348-S350 PolarHBondContact O-N 2.85Å; S350-V353 WeakPolarHBondContact O-CG1 3.49Å; S350-W354 VanDerWaalsContact O-CD1 3.22Å; S350-W354 PolarHBondContact O-N 3.46Å
351	F	98.9	Very high	96.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-71.3	-45.7	175.3	-58.3	-23.4	0	0	0	110.9	F288 M292 V316 Y347 E348 V353 W354 M355 V393 W397 M398 F435 F438	F288-F351 AromaticContact CE1-CE1 3.99Å; F288-F351 HydrophobicContact CE1-CE1 3.99Å; F288-F351 AromaticContact CE1-CZ 3.99Å; F288-F351 HydrophobicContact CE1-CZ 3.99Å; F288-F351 HydrophobicContact CZ-CZ 4.33Å; M292-F351 HydrophobicContact CE-CE2 4.41Å; M292-F351 HydrophobicContact CE-CZ 4.46Å; V316-F351 HydrophobicContact CG2-CE1 4.22Å; Y347-F351 HydrophobicContact CD1-CZ 4.19Å; Y347-F351 HydrophobicContact CG-CZ 4.48Å; Y347-F351 WeakPolarHBondContact O-CB 3.43Å; Y347-F351 VanDerWaalsContact O-CD2 3.24Å; Y347-F351 WeakPolarHBondContact O-CD2 3.43Å; Y347-F351 WeakPolarHBondContact O-CG 3.3Å; Y347-F351 PolarHBondContact O-N 3.08Å; E348-F351 PolarHBondContact O-N 2.93Å; F351-V353 PolarHBondContact O-N 3.43Å; F351-W354 PolarHBondContact O-N 3.01Å; F351-M355 HydrophobicContact CB-SD 3.82Å; F351-M355 WeakPolarHBondContact O-CB 3.21Å; F351-M355 VanDerWaalsContact O-CG 3.26Å; F351-M355 WeakPolarHBondContact O-CG 3.49Å; F351-M355 PolarHBondContact O-N 3.33Å; F351-V393 HydrophobicContact CD2-CG1 3.88Å; F351-V393 HydrophobicContact CE2-CG1 3.8Å; F351-W397 HydrophobicContact CB-CB 4.1Å; F351-W397 HydrophobicContact CB-CE3 4.48Å; F351-W397 HydrophobicContact CB-CG 4.35Å; F351-W397 HydrophobicContact CD2-CB 3.78Å; F351-W397 HydrophobicContact CD2-CG 4.44Å; F351-W397 HydrophobicContact CG-CB 4.38Å; F351-M398 HydrophobicContact CD2-CG 4.45Å; F351-M398 HydrophobicContact CE2-CG 3.9Å; F351-M398 HydrophobicContact CE2-SD 4.1Å; F351-F435 AromaticContact CD1-CE2 3.79Å; F351-F435 HydrophobicContact CD1-CE2 3.79Å; F351-F435 HydrophobicContact CD2-CE2 4.08Å; F351-F435 AromaticContact CE1-CE2 3.68Å; F351-F435 HydrophobicContact CE1-CE2 3.68Å; F351-F435 HydrophobicContact CE1-CZ 4.08Å; F351-F435 AromaticContact CE2-CE2 3.95Å; F351-F435 HydrophobicContact CE2-CE2 3.95Å; F351-F435 HydrophobicContact CE2-CZ 4.41Å; F351-F435 HydrophobicContact CG-CE2 4.01Å; F351-F435 AromaticContact CZ-CE2 3.76Å; F351-F435 HydrophobicContact CZ-CE2 3.76Å; F351-F435 AromaticContact CZ-CZ 3.96Å; F351-F435 HydrophobicContact CZ-CZ 3.96Å; F351-F438 HydrophobicContact CD1-CD1 4.47Å; F351-F438 HydrophobicContact CD1-CE1 4.02Å; F351-F438 HydrophobicContact CD1-CE2 4.14Å; F351-F438 AromaticContact CD1-CZ 3.84Å; F351-F438 HydrophobicContact CD1-CZ 3.84Å; F351-F438 HydrophobicContact CE1-CD1 4.49Å; F351-F438 AromaticContact CE1-CE1 3.78Å; F351-F438 HydrophobicContact CE1-CE1 3.78Å; F351-F438 AromaticContact CE1-CZ 3.83Å; F351-F438 HydrophobicContact CE1-CZ 3.83Å
352	K	98.8	Very high	97.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-51.4	-55.6	174.6	-83.6	173.2	167	176.4	0	112	L332 G334 E348 I349 W354 C356 W397	L332-K352 HydrophobicContact CD2-CB 4.31Å; L332-K352 WeakPolarHBondContact O-CE 3.28Å; L332-K352 PolarHBondContact O-NZ 3.35Å; G334-K352 PolarHBondContact O-NZ 2.87Å; E348-K352 HydrophobicContact CG-CD 4.22Å; E348-K352 WeakPolarHBondContact O-CB 3.48Å; E348-K352 WeakPolarHBondContact O-CG 3.29Å; E348-K352 PolarHBondContact O-N 3.05Å; E348-K352 VanDerWaalsContact OE1-CE 3.25Å; E348-K352 WeakPolarHBondContact OE1-CE 3.42Å; E348-K352 IonicContact OE1-NZ 3.57Å; E348-K352 PolarHBondContact OE1-NZ 2.95Å; I349-K352 HydrophobicContact CD1-CB 4.49Å; I349-K352 HydrophobicContact CD1-CD 4.34Å; K352-W354 PolarHBondContact O-N 3.07Å; K352-C356 WeakPolarHBondContact O-CA 3.17Å; K352-C356 WeakPolarHBondContact O-CB 3.35Å; K352-C356 PolarHBondContact O-N 2.86Å; K352-C356 PolarHBondContact O-SG 2.91Å; K352-W397 HydrophobicContact CB-CH2 4.47Å; K352-W397 HydrophobicContact CD-CH2 4.24Å; K352-W397 HydrophobicContact CD-CZ2 3.97Å; K352-W397 HydrophobicContact CG-CD2 4.46Å; K352-W397 HydrophobicContact CG-CE3 4.35Å; K352-W397 HydrophobicContact CG-CH2 3.34Å; K352-W397 HydrophobicContact CG-CZ2 3.44Å; K352-W397 VanDerWaalsContact CG-CZ2 3.44Å; K352-W397 HydrophobicContact CG-CZ3 3.8Å
353	V	98.7	Very high	98	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.3	-44.2	-173.7	68.8	0	0	0	0	111.8	I261 L332 I349 S350 F351 G358 R359 M360	I261-V353 HydrophobicContact CD1-CB 3.94Å; I261-V353 HydrophobicContact CD1-CG1 4.38Å; I261-V353 HydrophobicContact CD1-CG2 3.89Å; I261-V353 HydrophobicContact CG1-CG2 3.93Å; L332-V353 HydrophobicContact CD1-CB 4.36Å; I349-V353 WeakPolarHBondContact O-CB 3.36Å; I349-V353 VanDerWaalsContact O-CG1 3.26Å; I349-V353 WeakPolarHBondContact O-CG1 3.34Å; I349-V353 PolarHBondContact O-N 3.47Å; S350-V353 WeakPolarHBondContact O-CG1 3.49Å; F351-V353 PolarHBondContact O-N 3.43Å; V353-G358 CarbonylContact O-C 3.14Å; V353-G358 WeakPolarHBondContact O-CA 3.45Å; V353-G358 PolarHBondContact O-N 3.43Å; V353-R359 VanDerWaalsContact CG2-O 3.3Å; V353-R359 WeakPolarHBondContact CG2-O 3.32Å; V353-M360 HydrophobicContact CG1-CB 4.28Å; V353-M360 HydrophobicContact CG1-CE 3.64Å
354	W	98.8	Very high	98.4	Very high	12 Å²	12	10 Å²	10	5%	0.045	6%	0.061	C	C	.	.	H	α-helix	trans	-71.2	-50.2	179.5	-79.8	115.7	0	0	0	112.5	E313 S314 P315 S350 F351 K352 C356 R359 M360 W437 F438 V442	E313-W354 HydrophobicContact CB-CH2 4.02Å; E313-W354 HydrophobicContact CB-CZ2 4.13Å; E313-W354 HydrophobicContact CG-CH2 3.96Å; S314-W354 PolarHBondContact O-NE1 2.79Å; P315-W354 PolarHBondContact O-NE1 3.13Å; S350-W354 VanDerWaalsContact O-CD1 3.22Å; S350-W354 PolarHBondContact O-N 3.46Å; F351-W354 PolarHBondContact O-N 3.01Å; K352-W354 PolarHBondContact O-N 3.07Å; W354-C356 VanDerWaalsContact C-N 3.29Å; W354-C356 PolarHBondContact O-N 2.92Å; W354-R359 HydrophobicContact CH2-CB 4.39Å; W354-R359 HydrophobicContact CZ3-CB 4.4Å; W354-R359 HydrophobicContact CZ3-CG 4.17Å; W354-M360 HydrophobicContact CZ2-CB 4.06Å; W354-M360 WeakPolarHBondContact CZ2-O 3.39Å; W354-W437 HydrophobicContact CB-CZ3 4.41Å; W354-W437 WeakPolarHBondContact O-CZ3 3.23Å; W354-F438 HydrophobicContact CB-CD2 3.79Å; W354-F438 HydrophobicContact CB-CE2 4Å; W354-F438 AromaticContact CD1-CE2 3.7Å; W354-F438 HydrophobicContact CG-CD2 4.22Å; W354-F438 AromaticContact CG-CE2 3.99Å; W354-F438 HydrophobicContact CG-CE2 3.99Å; W354-V442 HydrophobicContact CB-CG2 4.3Å; W354-V442 HydrophobicContact CD2-CB 4.36Å; W354-V442 HydrophobicContact CD2-CG1 3.56Å; W354-V442 HydrophobicContact CD2-CG2 3.83Å; W354-V442 VanDerWaalsContact CE2-CG1 3.48Å; W354-V442 HydrophobicContact CE3-CG1 4.08Å; W354-V442 HydrophobicContact CE3-CG2 3.64Å; W354-V442 HydrophobicContact CG-CG1 3.84Å; W354-V442 HydrophobicContact CG-CG2 4.14Å; W354-V442 HydrophobicContact CH2-CG1 4.39Å; W354-V442 HydrophobicContact CZ2-CG1 3.94Å; W354-V442 HydrophobicContact CZ3-CG1 4.46Å; W354-V442 HydrophobicContact CZ3-CG2 4.2Å
355	M	98.8	Very high	98.6	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.01	6%	0.062	C	C	.	.	H	α-helix	trans	-70.9	-27.6	-174.1	-64.3	163.5	63.9	0	0	111.9	F351 W397 C432 K433 F435 F438	F351-M355 HydrophobicContact CB-SD 3.82Å; F351-M355 WeakPolarHBondContact O-CB 3.21Å; F351-M355 VanDerWaalsContact O-CG 3.26Å; F351-M355 WeakPolarHBondContact O-CG 3.49Å; F351-M355 PolarHBondContact O-N 3.33Å; M355-W397 HydrophobicContact CE-CE3 4.29Å; M355-W397 WeakPolarHBondContact CE-O 3.42Å; M355-W397 HydrophobicContact SD-CE3 4.38Å; M355-C432 HydrophobicContact CB-CB 4.12Å; M355-C432 CarbonylContact O-C 3.6Å; M355-C432 VanDerWaalsContact O-CA 3.27Å; M355-C432 WeakPolarHBondContact O-CA 3.37Å; M355-K433 WeakPolarHBondContact CE-O 3.19Å; M355-K433 PolarHBondContact O-N 2.97Å; M355-F435 HydrophobicContact CE-CB 4.46Å; M355-F435 HydrophobicContact SD-CD2 4.01Å; M355-F438 HydrophobicContact CG-CB 4.09Å; M355-F438 HydrophobicContact SD-CB 4.43Å
356	C	98.7	Very high	98.7	Very high	14 Å²	14	9.9 Å²	9.9	10%	0.095	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	23.3	-175.5	-43.8	0	0	0	0	113.4	L332 K352 W354 L430 C432	L332-C356 HydrophobicContact CD2-CB 4.14Å; K352-C356 WeakPolarHBondContact O-CA 3.17Å; K352-C356 WeakPolarHBondContact O-CB 3.35Å; K352-C356 PolarHBondContact O-N 2.86Å; K352-C356 PolarHBondContact O-SG 2.91Å; W354-C356 VanDerWaalsContact C-N 3.29Å; W354-C356 PolarHBondContact O-N 2.92Å; C356-L430 HydrophobicContact CB-CB 4.28Å; C356-L430 HydrophobicContact CB-CD1 4.4Å; C356-C432 HydrophobicContact CB-CB 4.07Å; C356-C432 WeakPolarHBondContact CB-SG 3.14Å; C356-C432 WeakPolarHBondContact SG-CB 3.36Å; C356-C432 CovalentContact SG-SG 2.04Å; C356-C432 PolarHBondContact SG-SG 2.72Å
357	G	98.1	Very high	98.7	Very high	53 Å²	53	9.2 Å²	9.2	55%	0.546	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	90	16.8	165.6	0	0	0	0	0	116.4
358	G	98.6	Very high	98.7	Very high	6 Å²	6	9.1 Å²	9.1	6%	0.062	6%	0.058	C	C	.	.			trans	-102	-166.3	166.8	0	0	0	0	0	112.7	K259 V353	K259-G358 CarbonylContact O-C 3.6Å; K259-G358 WeakPolarHBondContact O-CA 3.42Å; V353-G358 CarbonylContact O-C 3.14Å; V353-G358 WeakPolarHBondContact O-CA 3.45Å; V353-G358 PolarHBondContact O-N 3.43Å
359	R	98.5	Very high	98.8	Very high	71 Å²	71	9.1 Å²	9.1	27%	0.268	6%	0.057	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	157.1	179.8	-65.4	172.8	57.1	80.8	-3.4	111	K259 T260 I261 E313 V353 W354 E361	K259-R359 PolarHBondContact O-N 2.89Å; T260-R359 CarbonylContact C-O 3.54Å; T260-R359 WeakPolarHBondContact CA-O 3.37Å; T260-R359 HydrophobicContact CG2-CB 4.19Å; I261-R359 PolarHBondContact N-O 3.09Å; E313-R359 VanDerWaalsContact CD-NH2 3.31Å; E313-R359 VanDerWaalsContact CG-NH2 3.3Å; E313-R359 IonicContact OE1-CZ 2.74Å; E313-R359 IonicContact OE1-NH1 3.48Å; E313-R359 PolarHBondContact OE1-NH1 2.79Å; E313-R359 IonicContact OE1-NH2 3.37Å; E313-R359 PolarHBondContact OE1-NH2 3.22Å; V353-R359 VanDerWaalsContact CG2-O 3.3Å; V353-R359 WeakPolarHBondContact CG2-O 3.32Å; W354-R359 HydrophobicContact CH2-CB 4.39Å; W354-R359 HydrophobicContact CZ3-CB 4.4Å; W354-R359 HydrophobicContact CZ3-CG 4.17Å; R359-E361 IonicContact CZ-OE1 3.14Å; R359-E361 IonicContact NE-OE1 3.77Å; R359-E361 PolarHBondContact NE-OE1 2.93Å; R359-E361 IonicContact NH2-OE1 2.63Å; R359-E361 PolarHBondContact NH2-OE1 2.56Å
360	M	98.8	Very high	98.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.2	174	-177.2	66.9	57.6	0	0	109.5	I261 C263 E313 S314 M317 V353 W354	I261-M360 HydrophobicContact CB-CE 3.45Å; I261-M360 VanDerWaalsContact CB-CE 3.45Å; I261-M360 HydrophobicContact CB-SD 3.73Å; I261-M360 HydrophobicContact CD1-CE 3.87Å; I261-M360 HydrophobicContact CG1-CE 4.19Å; I261-M360 HydrophobicContact CG2-CE 3.49Å; I261-M360 VanDerWaalsContact CG2-CE 3.49Å; I261-M360 HydrophobicContact CG2-SD 3.51Å; I261-M360 VanDerWaalsContact CG2-SD 3.51Å; I261-M360 WeakPolarHBondContact O-CA 3.39Å; C263-M360 VanDerWaalsContact SG-SD 3.63Å; E313-M360 WeakPolarHBondContact CA-O 3.44Å; S314-M360 PolarHBondContact N-O 3.41Å; S314-M360 VanDerWaalsContact O-CB 3.29Å; S314-M360 WeakPolarHBondContact O-CB 3.39Å; S314-M360 WeakPolarHBondContact O-CG 3.38Å; M317-M360 HydrophobicContact CB-SD 4.17Å; M317-M360 HydrophobicContact CE-CE 3.22Å; M317-M360 HydrophobicContact CE-SD 3.72Å; V353-M360 HydrophobicContact CG1-CB 4.28Å; V353-M360 HydrophobicContact CG1-CE 3.64Å; W354-M360 HydrophobicContact CZ2-CB 4.06Å; W354-M360 WeakPolarHBondContact CZ2-O 3.39Å
361	E	98.8	Very high	98.7	Very high	3 Å²	3	10.4 Å²	10.4	1%	0.014	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	136.1	-177.2	-64.8	178.2	172.4	0	0	112.3	R253 T260 I261 V262 C263 F312 E313 R359 I363	R253-E361 IonicContact CZ-OE1 2.83Å; R253-E361 IonicContact CZ-OE2 3.76Å; R253-E361 IonicContact NE-OE1 2.82Å; R253-E361 IonicContact NE-OE2 2.87Å; R253-E361 PolarHBondContact NE-OE2 3.35Å; R253-E361 VanDerWaalsContact NH2-CD 3.26Å; R253-E361 IonicContact NH2-OE1 3.75Å; R253-E361 PolarHBondContact NH2-OE1 3.14Å; R253-E361 IonicContact NH2-OE2 3.38Å; R253-E361 PolarHBondContact NH2-OE2 2.88Å; T260-E361 HydrophobicContact CG2-CB 4.29Å; T260-E361 HydrophobicContact CG2-CG 4.07Å; I261-E361 PolarHBondContact O-N 3.45Å; V262-E361 CarbonylContact C-O 3.57Å; V262-E361 VanDerWaalsContact CA-O 3.28Å; V262-E361 WeakPolarHBondContact CA-O 3.22Å; C263-E361 PolarHBondContact N-O 3.08Å; F312-E361 CarbonylContact O-C 3.5Å; F312-E361 VanDerWaalsContact O-CA 3.22Å; F312-E361 WeakPolarHBondContact O-CA 3.5Å; E313-E361 HydrophobicContact CG-CG 4.44Å; R359-E361 IonicContact CZ-OE1 3.14Å; R359-E361 IonicContact NE-OE1 3.77Å; R359-E361 PolarHBondContact NE-OE1 2.93Å; R359-E361 IonicContact NH2-OE1 2.63Å; R359-E361 PolarHBondContact NH2-OE1 2.56Å; E361-I363 HydrophobicContact CB-CD1 4.18Å
362	D	98.8	Very high	98.4	Very high	12 Å²	12	14.3 Å²	14.3	6%	0.064	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	136.9	169.4	-68.8	-28.1	0	0	0	108.5	C263 M265 P311 F312 S314 P364	C263-D362 VanDerWaalsContact CB-OD1 3.29Å; C263-D362 WeakPolarHBondContact CB-OD1 3.37Å; C263-D362 WeakPolarHBondContact O-CA 3.25Å; M265-D362 HydrophobicContact CE-CB 3.82Å; P311-D362 WeakPolarHBondContact CA-O 3.3Å; F312-D362 HydrophobicContact CD1-CB 4.26Å; F312-D362 HydrophobicContact CD2-CB 4.35Å; F312-D362 HydrophobicContact CE1-CB 3.66Å; F312-D362 HydrophobicContact CE2-CB 3.76Å; F312-D362 HydrophobicContact CZ-CB 3.38Å; F312-D362 PolarHBondContact N-O 3.29Å; F312-D362 VanDerWaalsContact N-O 3.1Å; F312-D362 PolarHBondContact O-N 3Å; S314-D362 VanDerWaalsContact CB-OD2 3.25Å; S314-D362 WeakPolarHBondContact CB-OD2 3.33Å; S314-D362 PolarHBondContact OG-OD2 3.23Å; D362-P364 WeakPolarHBondContact O-CD 3.12Å
363	I	98.8	Very high	98	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.021	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	97.3	-172.2	-47.2	-57.2	0	0	0	109.9	P249 L250 R253 V262 C263 P311 E361 C365 S366	P249-I363 HydrophobicContact CB-CG2 3.86Å; L250-I363 HydrophobicContact CD2-CB 4.04Å; L250-I363 HydrophobicContact CD2-CG1 3.78Å; R253-I363 HydrophobicContact CB-CD1 4.37Å; R253-I363 HydrophobicContact CG-CD1 4.06Å; V262-I363 HydrophobicContact CB-CD1 4.14Å; V262-I363 HydrophobicContact CB-CG1 3.85Å; V262-I363 HydrophobicContact CG1-CD1 3.99Å; V262-I363 HydrophobicContact CG1-CG1 4.25Å; C263-I363 PolarHBondContact O-N 2.88Å; P311-I363 HydrophobicContact CB-CD1 3.63Å; P311-I363 HydrophobicContact CG-CD1 3.76Å; E361-I363 HydrophobicContact CB-CD1 4.18Å; I363-C365 PolarHBondContact O-N 2.9Å; I363-S366 PolarHBondContact O-N 3.35Å
364	P	98.7	Very high	97.5	Very high	7 Å²	7	22.8 Å²	22.8	5%	0.045	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	-27.9	-174.7	-29.5	35.9	0	0	0	115.7	E310 F312 D362 S366	E310-P364 WeakPolarHBondContact O-CD 3.44Å; E310-P364 WeakPolarHBondContact O-CG 3.26Å; F312-P364 HydrophobicContact CD1-CG 3.95Å; F312-P364 HydrophobicContact CE1-CG 3.98Å; D362-P364 WeakPolarHBondContact O-CD 3.12Å; P364-S366 VanDerWaalsContact C-N 3.34Å
365	C	98.8	Very high	96.8	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.02	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-6.9	178.4	-63.8	0	0	0	0	114.9	R131 C135 K138 P249 S309 I363	R131-C365 WeakPolarHBondContact CD-O 3.31Å; C135-C365 WeakPolarHBondContact CA-SG 3.24Å; C135-C365 HydrophobicContact CB-CB 3.68Å; C135-C365 WeakPolarHBondContact CB-SG 3.27Å; C135-C365 WeakPolarHBondContact SG-CA 3.24Å; C135-C365 WeakPolarHBondContact SG-CB 3.28Å; C135-C365 CovalentContact SG-SG 2.05Å; C135-C365 PolarHBondContact SG-SG 3.38Å; K138-C365 VanDerWaalsContact CE-SG 3.55Å; P249-C365 HydrophobicContact CB-CB 4.45Å; S309-C365 PolarHBondContact O-SG 2.04Å; I363-C365 PolarHBondContact O-N 2.9Å
366	S	98.9	Very high	96.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124	170	-170.3	0	0	0	0	109	W246 L250 P264 M265 I363 P364	W246-S366 VanDerWaalsContact O-CB 3.3Å; W246-S366 WeakPolarHBondContact O-CB 3.43Å; W246-S366 PolarHBondContact O-OG 2.8Å; L250-S366 WeakPolarHBondContact CD1-OG 3.34Å; L250-S366 WeakPolarHBondContact CG-OG 3.48Å; P264-S366 CarbonylContact C-O 3.59Å; P264-S366 WeakPolarHBondContact CA-O 3.11Å; P264-S366 WeakPolarHBondContact CB-OG 3.38Å; M265-S366 PolarHBondContact N-O 3.32Å; I363-S366 PolarHBondContact O-N 3.35Å; P364-S366 VanDerWaalsContact C-N 3.34Å
367	R	98.9	Very high	95.2	Very high	4 Å²	4	32 Å²	32	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140.2	-179.3	-51	-166.1	74	100.6	-2	111.4	R131 N243 M265 D267 T278 D282	R131-R367 HydrophobicContact CG-CG 3.86Å; N243-R367 HydrophobicContact CB-CB 4.12Å; N243-R367 WeakPolarHBondContact CB-O 3.48Å; N243-R367 PolarHBondContact N-O 2.89Å; M265-R367 HydrophobicContact CB-CG 4.14Å; M265-R367 WeakPolarHBondContact O-CA 3.4Å; D267-R367 IonicContact OD1-CZ 2.74Å; D267-R367 VanDerWaalsContact OD1-CZ 3.3Å; D267-R367 IonicContact OD1-NE 3.86Å; D267-R367 PolarHBondContact OD1-NE 3.1Å; D267-R367 IonicContact OD1-NH2 3.19Å; D267-R367 PolarHBondContact OD1-NH2 3.34Å; D267-R367 WeakPolarHBondContact OD2-CB 3.49Å; D267-R367 IonicContact OD2-CZ 3.26Å; D267-R367 IonicContact OD2-NE 3.83Å; D267-R367 PolarHBondContact OD2-NE 3.38Å; D267-R367 IonicContact OD2-NH2 2.97Å; T278-R367 PolarHBondContact OG1-NH2 3.08Å; D282-R367 IonicContact OD1-CZ 2.85Å; D282-R367 VanDerWaalsContact OD1-CZ 3.31Å; D282-R367 IonicContact OD1-NH1 3.43Å; D282-R367 PolarHBondContact OD1-NH1 2.71Å; D282-R367 IonicContact OD1-NH2 3.02Å; D282-R367 PolarHBondContact OD1-NH2 3.4Å; D282-R367 IonicContact OD2-NH1 3.94Å
368	V	98.9	Very high	94	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	122.5	179	-178.5	0	0	0	0	108.5	L236 C240 W246 P264 M265 I266 D267 L321	L236-V368 HydrophobicContact CD2-CG1 4.25Å; L236-V368 HydrophobicContact CD2-CG2 4.49Å; C240-V368 HydrophobicContact CB-CG1 3.84Å; W246-V368 HydrophobicContact CD2-CG2 4.26Å; W246-V368 HydrophobicContact CE3-CG2 3.65Å; W246-V368 HydrophobicContact CZ3-CG2 4.17Å; P264-V368 HydrophobicContact CB-CG2 3.93Å; P264-V368 HydrophobicContact CG-CB 4.33Å; P264-V368 HydrophobicContact CG-CG2 3.87Å; M265-V368 PolarHBondContact O-N 3.03Å; I266-V368 WeakPolarHBondContact CA-O 3.07Å; D267-V368 PolarHBondContact N-O 3.23Å; L321-V368 HydrophobicContact CD1-CB 3.87Å; L321-V368 HydrophobicContact CD1-CG1 3.73Å
369	G	98.8	Very high	92.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	145.3	171.8	0	0	0	0	0	111.3	C240 E241 D267 Y276	C240-G369 CarbonylContact C-O 3.51Å; C240-G369 WeakPolarHBondContact CA-O 3.25Å; C240-G369 WeakPolarHBondContact CB-O 3.35Å; E241-G369 PolarHBondContact N-O 3.03Å; E241-G369 PolarHBondContact O-N 2.66Å; D267-G369 CarbonylContact O-C 3.59Å; D267-G369 WeakPolarHBondContact O-CA 3.45Å; Y276-G369 PolarHBondContact OH-N 3.31Å
370	H	98.8	Very high	91.6	Very high	23 Å²	23	41 Å²	41	11%	0.106	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	133.9	179.7	171.1	-85	0	0	0	110.1	D237 H239 I266 D267 I269 L321 Y372	D237-H370 IonicContact OD2-CD2 3.99Å; D237-H370 IonicContact OD2-NE2 3.21Å; H239-H370 AromaticContact CD2-CD2 3.94Å; H239-H370 AromaticContact CD2-NE2 3.57Å; H239-H370 AromaticContact NE2-NE2 3.34Å; H239-H370 PolarHBondContact NE2-NE2 3.46Å; I266-H370 HydrophobicContact CG2-CB 3.63Å; D267-H370 PolarHBondContact O-N 3Å; I269-H370 PolarHBondContact N-O 2.9Å; L321-H370 HydrophobicContact CD1-CB 4.48Å; H370-Y372 HydrophobicContact CB-CE2 4.42Å; H370-Y372 AromaticContact ND1-CD2 3.68Å; H370-Y372 AromaticContact ND1-CE1 4Å; H370-Y372 AromaticContact ND1-CE2 3.66Å; H370-Y372 AromaticContact ND1-CG 3.87Å; H370-Y372 AromaticContact ND1-CZ 3.83Å; H370-Y372 WeakPolarHBondContact O-CD2 3.43Å; H370-Y372 PolarHBondContact O-N 2.84Å
371	I	98.5	Very high	90.1	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	109.2	176.2	-54.4	177	0	0	0	110	F113 H239 I269 H271 F274 R373	F113-I371 HydrophobicContact CB-CG2 3.68Å; F113-I371 HydrophobicContact CD1-CB 4.42Å; F113-I371 HydrophobicContact CD1-CG2 3.66Å; F113-I371 HydrophobicContact CD2-CD1 4.45Å; F113-I371 HydrophobicContact CE1-CD1 4.48Å; F113-I371 HydrophobicContact CE1-CG2 4.41Å; F113-I371 HydrophobicContact CE2-CD1 4.4Å; F113-I371 HydrophobicContact CG-CG2 3.75Å; F113-I371 HydrophobicContact CZ-CD1 4.42Å; H239-I371 HydrophobicContact CB-CB 4.21Å; H239-I371 HydrophobicContact CB-CD1 3.99Å; H239-I371 HydrophobicContact CB-CG1 4.22Å; H239-I371 PolarHBondContact CD2-O 3.44Å; H239-I371 PolarHBondContact O-N 3.27Å; I269-I371 HydrophobicContact CB-CG1 3.81Å; I269-I371 HydrophobicContact CD1-CG1 4.2Å; I269-I371 HydrophobicContact CG2-CD1 4.47Å; I269-I371 HydrophobicContact CG2-CG1 3.78Å; H271-I371 HydrophobicContact CB-CG2 4.32Å; F274-I371 HydrophobicContact CD1-CD1 4.44Å; F274-I371 HydrophobicContact CE1-CD1 3.58Å; F274-I371 HydrophobicContact CZ-CD1 3.78Å; I371-R373 PolarHBondContact O-N 3.5Å
372	Y	92.3	Very high	88.1	Confident	82 Å²	82	48 Å²	48	32%	0.322	25%	0.253	S	S	.	.			trans	-80.6	107.7	172.5	-72.7	-89.8	0	0	0	110	I266 V268 H271 Q279 H370	I266-Y372 HydrophobicContact CG2-CE2 4.45Å; I266-Y372 WeakPolarHBondContact CG2-OH 3.38Å; V268-Y372 HydrophobicContact CB-CD2 4.41Å; V268-Y372 HydrophobicContact CG1-CD2 4.22Å; V268-Y372 HydrophobicContact CG2-CD2 4.06Å; V268-Y372 HydrophobicContact CG2-CE2 3.96Å; H271-Y372 WeakPolarHBondContact CB-O 3.4Å; H271-Y372 PolarHBondContact CD2-O 2.82Å; Q279-Y372 PolarHBondContact NE2-OH 2.98Å; H370-Y372 HydrophobicContact CB-CE2 4.42Å; H370-Y372 AromaticContact ND1-CD2 3.68Å; H370-Y372 AromaticContact ND1-CE1 4Å; H370-Y372 AromaticContact ND1-CE2 3.66Å; H370-Y372 AromaticContact ND1-CG 3.87Å; H370-Y372 AromaticContact ND1-CZ 3.83Å; H370-Y372 WeakPolarHBondContact O-CD2 3.43Å; H370-Y372 PolarHBondContact O-N 2.84Å
373	R	90.8	Very high	86.1	Confident	60 Å²	60	51 Å²	51	23%	0.226	29%	0.286	C	S	.	.			trans	-61.3	142.8	-177.1	-53.1	-173.7	-173.7	-107	-0.3	111.7	N111 F113 E156 H239 I371 Y375	N111-R373 WeakPolarHBondContact O-CD 3.36Å; N111-R373 PolarHBondContact O-NH1 3.06Å; F113-R373 HydrophobicContact CD1-CG 4.22Å; E156-R373 IonicContact OE1-CZ 3.48Å; E156-R373 IonicContact OE1-NH1 3.28Å; E156-R373 PolarHBondContact OE1-NH1 3.11Å; E156-R373 IonicContact OE1-NH2 2.79Å; E156-R373 PolarHBondContact OE1-NH2 3.23Å; E156-R373 IonicContact OE2-CZ 3.92Å; E156-R373 IonicContact OE2-NH2 2.96Å; E156-R373 PolarHBondContact OE2-NH2 3.39Å; H239-R373 PolarHBondContact CE1-NH2 3.37Å; H239-R373 PolarHBondContact ND1-NH2 3.28Å; I371-R373 PolarHBondContact O-N 3.5Å; R373-Y375 VanDerWaalsContact C-N 3.28Å; R373-Y375 WeakPolarHBondContact CB-O 3.19Å; R373-Y375 PolarHBondContact O-N 3.47Å
374	K	86.7	Confident	84.6	Confident	118 Å²	118	52.8 Å²	52.8	51%	0.513	30%	0.297	S	S	.	.	S	Bend	trans	-64	-34.9	170.4	-171.1	175.2	-178.2	173.3	0	112	G112	G112-K374 WeakPolarHBondContact O-CB 3.48Å; G112-K374 PolarHBondContact O-N 2.72Å
375	Y	85.3	Confident	83.4	Confident	96 Å²	96	55 Å²	55	38%	0.376	31%	0.312	S	S	.	.	S	Bend	trans	-156.9	165	172.9	56.8	-93.7	0	0	0	110.2	Y108 R109 R373 P377	Y108-Y375 WeakPolarHBondContact CB-OH 3.27Å; Y108-Y375 PolarHBondContact O-OH 3.15Å; R109-Y375 WeakPolarHBondContact CA-OH 3.48Å; R109-Y375 PolarHBondContact N-OH 2.85Å; R373-Y375 VanDerWaalsContact C-N 3.28Å; R373-Y375 WeakPolarHBondContact CB-O 3.19Å; R373-Y375 PolarHBondContact O-N 3.47Å; Y375-P377 HydrophobicContact CE2-CB 4.36Å; Y375-P377 WeakPolarHBondContact O-CD 3.41Å
376	V	83.1	Confident	83	Confident	89 Å²	89	57.7 Å²	57.7	54%	0.539	33%	0.326	S	S	.	.			trans	-81.5	116.8	176.9	-178.3	0	0	0	0	109.4	Y378	V376-Y378 HydrophobicContact CG1-CD1 3.91Å; V376-Y378 HydrophobicContact CG1-CD2 3.89Å; V376-Y378 HydrophobicContact CG1-CE1 3.58Å; V376-Y378 HydrophobicContact CG1-CE2 3.56Å; V376-Y378 HydrophobicContact CG1-CG 4.05Å
377	P	79.7	Confident	82.6	Confident	36 Å²	36	58.1 Å²	58.1	23%	0.234	33%	0.33	C	S	.	.			trans	-85.5	-20.9	-172.4	35.1	-39.2	0	0	0	113.8	E110 Y375	E110-P377 VanDerWaalsContact O-CB 3.29Å; E110-P377 WeakPolarHBondContact O-CB 3.36Å; Y375-P377 HydrophobicContact CE2-CB 4.36Å; Y375-P377 WeakPolarHBondContact O-CD 3.41Å
378	Y	74.1	Confident	82.4	Confident	60 Å²	60	61.3 Å²	61.3	24%	0.235	34%	0.342	C	S	.	.	S	Bend	trans	-90.1	149.3	-174.5	53.6	-99	0	0	0	112.3	I341 V376 V380	I341-Y378 HydrophobicContact CG2-CE2 4.25Å; V376-Y378 HydrophobicContact CG1-CD1 3.91Å; V376-Y378 HydrophobicContact CG1-CD2 3.89Å; V376-Y378 HydrophobicContact CG1-CE1 3.58Å; V376-Y378 HydrophobicContact CG1-CE2 3.56Å; V376-Y378 HydrophobicContact CG1-CG 4.05Å; Y378-V380 HydrophobicContact CE2-CG2 4.49Å
379	K	72.9	Confident	82.2	Confident	187 Å²	187	61.4 Å²	61.4	81%	0.813	34%	0.343	S	S	*	.			trans	-76.7	135.9	175.4	-63.9	179.3	-178.4	176.5	0	109.9	P381	K379-P381 WeakPolarHBondContact O-CD 3.39Å
380	V	72.8	Confident	82.1	Confident	72 Å²	72	61.6 Å²	61.6	44%	0.436	34%	0.344	S	S	.	.			trans	-92.7	113.3	169.9	179.9	0	0	0	0	107.5	I341 Y378 V384	I341-V380 HydrophobicContact CB-CG1 4.28Å; I341-V380 HydrophobicContact CG1-CG1 4.06Å; I341-V380 HydrophobicContact CG2-CG2 4.42Å; Y378-V380 HydrophobicContact CE2-CG2 4.49Å; V380-V384 HydrophobicContact CG1-CB 3.78Å; V380-V384 HydrophobicContact CG1-CG1 3.96Å
381	P	67.2	Low	82	Confident	66 Å²	66	61.2 Å²	61.2	43%	0.429	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-64.3	146.6	-177	-21.4	33.1	0	0	0	113.1	K379 G383 V384	K379-P381 WeakPolarHBondContact O-CD 3.39Å; P381-G383 PolarHBondContact O-N 3.41Å; P381-V384 WeakPolarHBondContact O-CB 3.12Å; P381-V384 WeakPolarHBondContact O-CG2 3.41Å; P381-V384 PolarHBondContact O-N 3.08Å
382	G	57.3	Low	82	Confident	86 Å²	86	61.5 Å²	61.5	89%	0.887	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	71.3	22.5	151.9	0	0	0	0	0	118.9	V384	G382-V384 PolarHBondContact O-N 2.98Å
383	G	57.4	Low	82.3	Confident	75 Å²	75	57.7 Å²	57.7	77%	0.773	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	71.9	16	179.6	0	0	0	0	0	114	P381 S385	P381-G383 PolarHBondContact O-N 3.41Å; G383-S385 PolarHBondContact O-N 3.37Å
384	V	66.4	Low	82.7	Confident	40 Å²	40	54.9 Å²	54.9	24%	0.242	32%	0.317	C	S	.	.			trans	-54.9	120.6	169.9	166.4	0	0	0	0	108.8	E340 I341 V380 P381 G382	E340-V384 HydrophobicContact CB-CG1 3.45Å; E340-V384 VanDerWaalsContact CB-CG1 3.45Å; E340-V384 HydrophobicContact CB-CG2 4.44Å; E340-V384 HydrophobicContact CG-CG1 4.27Å; E340-V384 WeakPolarHBondContact OE2-CG1 3.12Å; E340-V384 WeakPolarHBondContact OE2-CG2 3.2Å; I341-V384 HydrophobicContact CB-CG1 4.43Å; I341-V384 HydrophobicContact CG1-CG1 4.14Å; V380-V384 HydrophobicContact CG1-CB 3.78Å; V380-V384 HydrophobicContact CG1-CG1 3.96Å; P381-V384 WeakPolarHBondContact O-CB 3.12Å; P381-V384 WeakPolarHBondContact O-CG2 3.41Å; P381-V384 PolarHBondContact O-N 3.08Å; G382-V384 PolarHBondContact O-N 2.98Å
385	S	74.6	Confident	83.2	Confident	53 Å²	53	52.5 Å²	52.5	37%	0.371	31%	0.308	S	S	.	.			trans	-114	130.4	-175.8	-176.3	0	0	0	0	110.1	G383 A387 R388	G383-S385 PolarHBondContact O-N 3.37Å; S385-A387 PolarHBondContact O-N 3.02Å; S385-A387 WeakPolarHBondContact OG-CB 3.23Å; S385-A387 PolarHBondContact OG-N 3.36Å; S385-A387 VanDerWaalsContact OG-N 3.13Å; S385-R388 PolarHBondContact O-N 3.26Å
386	L	89	Confident	83.9	Confident	60 Å²	60	48.1 Å²	48.1	31%	0.314	29%	0.291	S	S	.	.	H	α-helix	trans	-45.1	-33.8	163.9	176.3	64.2	0	0	0	111.1	W342 R388 N389 L390	W342-L386 HydrophobicContact CE3-CD1 4.15Å; W342-L386 HydrophobicContact CZ3-CD1 4.07Å; W342-L386 HydrophobicContact CZ3-CD2 4.02Å; L386-R388 VanDerWaalsContact C-N 3.31Å; L386-R388 PolarHBondContact O-N 2.87Å; L386-N389 PolarHBondContact O-N 3.08Å; L386-L390 HydrophobicContact CD1-CD1 4.2Å; L386-L390 HydrophobicContact CD1-CD2 4.45Å; L386-L390 HydrophobicContact CD1-CG 4.05Å; L386-L390 HydrophobicContact CD2-CD1 4.26Å; L386-L390 HydrophobicContact CG-CD1 3.78Å; L386-L390 HydrophobicContact CG-CG 4.1Å; L386-L390 VanDerWaalsContact O-CG 3.3Å; L386-L390 WeakPolarHBondContact O-CG 2.93Å; L386-L390 PolarHBondContact O-N 3.2Å
387	A	91.9	Very high	84.6	Confident	10 Å²	10	44 Å²	44	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-56.2	-40.9	176.1	0	0	0	0	0	113.7	S385 K391 Y412 L415	S385-A387 PolarHBondContact O-N 3.02Å; S385-A387 WeakPolarHBondContact OG-CB 3.23Å; S385-A387 PolarHBondContact OG-N 3.36Å; S385-A387 VanDerWaalsContact OG-N 3.13Å; A387-K391 VanDerWaalsContact O-CB 3.27Å; A387-K391 WeakPolarHBondContact O-CB 3.1Å; A387-K391 PolarHBondContact O-N 3.44Å; A387-Y412 VanDerWaalsContact CA-CZ 3.48Å; A387-Y412 WeakPolarHBondContact CA-OH 3.45Å; A387-Y412 HydrophobicContact CB-CD1 3.94Å; A387-Y412 HydrophobicContact CB-CE1 3.22Å; A387-Y412 HydrophobicContact CB-CE2 4.24Å; A387-Y412 VanDerWaalsContact CB-CZ 3.4Å; A387-L415 HydrophobicContact CB-CD2 3.54Å
388	R	93.8	Very high	85.5	Confident	71 Å²	71	42.2 Å²	42.2	27%	0.268	26%	0.255	S	S	.	.	H	α-helix	trans	-67.4	-45.5	179.5	179.8	-178.9	160.6	-151.5	-10.1	110.4	E340 S385 L386 K391 R392 L415	E340-R388 IonicContact OE1-CZ 3.37Å; E340-R388 IonicContact OE1-NH1 3.69Å; E340-R388 PolarHBondContact OE1-NH1 3.2Å; E340-R388 IonicContact OE2-CZ 3.5Å; E340-R388 IonicContact OE2-NH1 3.63Å; E340-R388 PolarHBondContact OE2-NH1 2.8Å; E340-R388 VanDerWaalsContact OE2-NH1 3.16Å; S385-R388 PolarHBondContact O-N 3.26Å; L386-R388 VanDerWaalsContact C-N 3.31Å; L386-R388 PolarHBondContact O-N 2.87Å; R388-K391 PolarHBondContact O-N 3.11Å; R388-R392 WeakPolarHBondContact O-CG 2.99Å; R388-R392 PolarHBondContact O-N 2.88Å; R388-L415 HydrophobicContact CB-CD2 4.39Å
389	N	95.5	Very high	86.7	Confident	1 Å²	1	42 Å²	42	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-58.1	-50.6	176.4	-76	5.4	0	0	0	111.2	L339 E340 W342 G343 L386 K391 R392 V393	L339-N389 WeakPolarHBondContact CA-OD1 3.35Å; L339-N389 HydrophobicContact CD2-CB 3.75Å; E340-N389 PolarHBondContact N-ND2 2.91Å; E340-N389 PolarHBondContact N-OD1 2.05Å; W342-N389 PolarHBondContact O-ND2 3.33Å; G343-N389 WeakPolarHBondContact O-CB 3.48Å; G343-N389 PolarHBondContact O-ND2 3.42Å; L386-N389 PolarHBondContact O-N 3.08Å; N389-K391 VanDerWaalsContact C-N 3.33Å; N389-K391 PolarHBondContact O-N 2.73Å; N389-R392 WeakPolarHBondContact O-CB 3.32Å; N389-R392 PolarHBondContact O-N 3.47Å; N389-V393 WeakPolarHBondContact O-CG2 3.24Å; N389-V393 PolarHBondContact O-N 3.27Å; N389-V393 VanDerWaalsContact O-N 3.08Å
390	L	96.9	Very high	87.9	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-40.2	178.6	-66.8	176.6	0	0	0	112.1	M292 Y347 L386 V393 A394 Y412	M292-L390 HydrophobicContact CB-CD1 3.85Å; M292-L390 HydrophobicContact CB-CD2 3.7Å; M292-L390 HydrophobicContact CB-CG 4.28Å; M292-L390 HydrophobicContact CE-CD2 4.42Å; M292-L390 HydrophobicContact CG-CD2 4.31Å; Y347-L390 HydrophobicContact CD2-CD2 4.02Å; Y347-L390 HydrophobicContact CE2-CD2 4.11Å; L386-L390 HydrophobicContact CD1-CD1 4.2Å; L386-L390 HydrophobicContact CD1-CD2 4.45Å; L386-L390 HydrophobicContact CD1-CG 4.05Å; L386-L390 HydrophobicContact CD2-CD1 4.26Å; L386-L390 HydrophobicContact CG-CD1 3.78Å; L386-L390 HydrophobicContact CG-CG 4.1Å; L386-L390 VanDerWaalsContact O-CG 3.3Å; L386-L390 WeakPolarHBondContact O-CG 2.93Å; L386-L390 PolarHBondContact O-N 3.2Å; L390-V393 PolarHBondContact O-N 3.06Å; L390-A394 WeakPolarHBondContact O-CB 3.35Å; L390-A394 PolarHBondContact O-N 2.79Å; L390-Y412 HydrophobicContact CB-CE2 4.11Å; L390-Y412 HydrophobicContact CD1-CE2 4.48Å
391	K	96.9	Very high	89.1	Confident	15 Å²	15	36.2 Å²	36.2	7%	0.065	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-43.8	175	-170.9	-178.3	175.7	71	0	111.4	A387 R388 N389 V393 A394 E395 Y406 Y412 L415 A417	A387-K391 VanDerWaalsContact O-CB 3.27Å; A387-K391 WeakPolarHBondContact O-CB 3.1Å; A387-K391 PolarHBondContact O-N 3.44Å; R388-K391 PolarHBondContact O-N 3.11Å; N389-K391 VanDerWaalsContact C-N 3.33Å; N389-K391 PolarHBondContact O-N 2.73Å; K391-V393 VanDerWaalsContact C-N 3.32Å; K391-V393 PolarHBondContact O-N 2.71Å; K391-A394 PolarHBondContact O-N 3.28Å; K391-E395 HydrophobicContact CG-CG 3.96Å; K391-E395 IonicContact NZ-OE1 3.47Å; K391-E395 PolarHBondContact NZ-OE1 3.28Å; K391-E395 VanDerWaalsContact NZ-OE1 3.1Å; K391-E395 WeakPolarHBondContact O-CB 3.42Å; K391-E395 WeakPolarHBondContact O-CG 3.01Å; K391-E395 PolarHBondContact O-N 2.89Å; K391-Y406 PolarHBondContact NZ-OH 3.35Å; K391-Y412 WeakPolarHBondContact CD-O 3.34Å; K391-Y412 WeakPolarHBondContact CE-O 3.4Å; K391-Y412 PolarHBondContact NZ-O 2.82Å; K391-L415 HydrophobicContact CD-CB 4.25Å; K391-L415 HydrophobicContact CD-CG 4.45Å; K391-L415 WeakPolarHBondContact CD-O 3.34Å; K391-L415 WeakPolarHBondContact CE-O 3.29Å; K391-A417 HydrophobicContact CD-CB 3.99Å; K391-A417 HydrophobicContact CG-CB 4.05Å
392	R	97.9	Very high	90.6	Very high	10 Å²	10	33.4 Å²	33.4	4%	0.038	21%	0.21	C	C	.	.	H	α-helix	trans	-57.5	-46.1	175.7	-70.8	178.3	69.9	77.3	1.3	111.6	D336 L339 R388 N389 V396 A417 D419 V420	D336-R392 IonicContact OD1-CZ 3.91Å; D336-R392 IonicContact OD1-NH2 2.66Å; D336-R392 PolarHBondContact OD1-NH2 3.4Å; D336-R392 IonicContact OD2-CZ 2.72Å; D336-R392 IonicContact OD2-NE 2.77Å; D336-R392 PolarHBondContact OD2-NE 2.81Å; D336-R392 IonicContact OD2-NH2 3.52Å; D336-R392 PolarHBondContact OD2-NH2 3.09Å; L339-R392 HydrophobicContact CD2-CB 4.43Å; R388-R392 WeakPolarHBondContact O-CG 2.99Å; R388-R392 PolarHBondContact O-N 2.88Å; N389-R392 WeakPolarHBondContact O-CB 3.32Å; N389-R392 PolarHBondContact O-N 3.47Å; R392-V396 WeakPolarHBondContact O-CB 3.44Å; R392-V396 VanDerWaalsContact O-CG2 3.24Å; R392-V396 WeakPolarHBondContact O-CG2 3.15Å; R392-V396 PolarHBondContact O-N 2.65Å; R392-A417 WeakPolarHBondContact CD-O 3.35Å; R392-A417 HydrophobicContact CG-CB 4Å; R392-A417 WeakPolarHBondContact CG-O 3.25Å; R392-A417 PolarHBondContact NH1-O 3.11Å; R392-D419 PolarHBondContact NH1-O 2.61Å; R392-D419 PolarHBondContact NH2-O 3.15Å; R392-V420 HydrophobicContact CB-CG1 4.39Å; R392-V420 HydrophobicContact CG-CG1 4.12Å
393	V	98.5	Very high	92.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-62.3	-46.2	177	178.5	0	0	0	0	110.9	L339 E348 F351 N389 L390 K391 V396 W397	L339-V393 HydrophobicContact CD2-CG2 4.21Å; E348-V393 HydrophobicContact CB-CG2 4.05Å; F351-V393 HydrophobicContact CD2-CG1 3.88Å; F351-V393 HydrophobicContact CE2-CG1 3.8Å; N389-V393 WeakPolarHBondContact O-CG2 3.24Å; N389-V393 PolarHBondContact O-N 3.27Å; N389-V393 VanDerWaalsContact O-N 3.08Å; L390-V393 PolarHBondContact O-N 3.06Å; K391-V393 VanDerWaalsContact C-N 3.32Å; K391-V393 PolarHBondContact O-N 2.71Å; V393-V396 PolarHBondContact O-N 2.92Å; V393-W397 WeakPolarHBondContact O-CB 3.46Å; V393-W397 PolarHBondContact O-N 3.13Å
394	A	98.3	Very high	94.3	Very high	1 Å²	1	32 Å²	32	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-61	-49.1	-179.8	0	0	0	0	0	112.4	L390 K391 V396 M398 A402 I405	L390-A394 WeakPolarHBondContact O-CB 3.35Å; L390-A394 PolarHBondContact O-N 2.79Å; K391-A394 PolarHBondContact O-N 3.28Å; A394-V396 VanDerWaalsContact C-N 3.26Å; A394-V396 PolarHBondContact O-N 2.92Å; A394-M398 HydrophobicContact CB-CB 4.5Å; A394-M398 HydrophobicContact CB-CG 4.49Å; A394-M398 HydrophobicContact CB-SD 3.94Å; A394-M398 WeakPolarHBondContact O-CB 3.31Å; A394-M398 PolarHBondContact O-N 3.03Å; A394-A402 HydrophobicContact CB-CB 3.89Å; A394-I405 HydrophobicContact CB-CD1 3.89Å
395	E	98.3	Very high	95.7	Very high	69 Å²	69	30.2 Å²	30.2	32%	0.322	15%	0.147	S	C	.	.	H	α-helix	trans	-64.9	-25.9	-178.9	-69.8	-68.5	159.5	0	0	113.8	K391 Y406 K424	K391-E395 HydrophobicContact CG-CG 3.96Å; K391-E395 IonicContact NZ-OE1 3.47Å; K391-E395 PolarHBondContact NZ-OE1 3.28Å; K391-E395 VanDerWaalsContact NZ-OE1 3.1Å; K391-E395 WeakPolarHBondContact O-CB 3.42Å; K391-E395 WeakPolarHBondContact O-CG 3.01Å; K391-E395 PolarHBondContact O-N 2.89Å; E395-Y406 PolarHBondContact OE1-OH 3.08Å; E395-K424 WeakPolarHBondContact O-CE 3.34Å
396	V	98.7	Very high	96.7	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	13%	0.132	C	C	.	.	H	α-helix	trans	-95.3	-38.5	-178.9	178.6	0	0	0	0	111.8	R392 V393 A394 V420 Q423 K424 R427	R392-V396 WeakPolarHBondContact O-CB 3.44Å; R392-V396 VanDerWaalsContact O-CG2 3.24Å; R392-V396 WeakPolarHBondContact O-CG2 3.15Å; R392-V396 PolarHBondContact O-N 2.65Å; V393-V396 PolarHBondContact O-N 2.92Å; A394-V396 VanDerWaalsContact C-N 3.26Å; A394-V396 PolarHBondContact O-N 2.92Å; V396-V420 HydrophobicContact CG2-CB 3.77Å; V396-V420 HydrophobicContact CG2-CG1 4.13Å; V396-V420 HydrophobicContact CG2-CG2 4.4Å; V396-Q423 HydrophobicContact CB-CB 4.48Å; V396-Q423 HydrophobicContact CG1-CB 3.83Å; V396-Q423 HydrophobicContact CG2-CB 3.82Å; V396-K424 HydrophobicContact CG1-CG 4.45Å; V396-K424 HydrophobicContact CG2-CG 4.26Å; V396-R427 VanDerWaalsContact O-CD 3.23Å; V396-R427 WeakPolarHBondContact O-CD 3.28Å; V396-R427 PolarHBondContact O-NH1 2.8Å
397	W	98.8	Very high	96.7	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.008	14%	0.139	C	C	.	.	H	α-helix	trans	-118.3	-20.4	-164.8	-59.7	99	0	0	0	114.8	F351 K352 M355 V393 R427 F435	F351-W397 HydrophobicContact CB-CB 4.1Å; F351-W397 HydrophobicContact CB-CE3 4.48Å; F351-W397 HydrophobicContact CB-CG 4.35Å; F351-W397 HydrophobicContact CD2-CB 3.78Å; F351-W397 HydrophobicContact CD2-CG 4.44Å; F351-W397 HydrophobicContact CG-CB 4.38Å; K352-W397 HydrophobicContact CB-CH2 4.47Å; K352-W397 HydrophobicContact CD-CH2 4.24Å; K352-W397 HydrophobicContact CD-CZ2 3.97Å; K352-W397 HydrophobicContact CG-CD2 4.46Å; K352-W397 HydrophobicContact CG-CE3 4.35Å; K352-W397 HydrophobicContact CG-CH2 3.34Å; K352-W397 HydrophobicContact CG-CZ2 3.44Å; K352-W397 VanDerWaalsContact CG-CZ2 3.44Å; K352-W397 HydrophobicContact CG-CZ3 3.8Å; M355-W397 HydrophobicContact CE-CE3 4.29Å; M355-W397 WeakPolarHBondContact CE-O 3.42Å; M355-W397 HydrophobicContact SD-CE3 4.38Å; V393-W397 WeakPolarHBondContact O-CB 3.46Å; V393-W397 PolarHBondContact O-N 3.13Å; W397-R427 HydrophobicContact CE3-CG 4.23Å; W397-R427 HydrophobicContact CH2-CB 3.82Å; W397-R427 HydrophobicContact CH2-CG 4.1Å; W397-R427 HydrophobicContact CZ2-CB 4.45Å; W397-R427 HydrophobicContact CZ3-CB 3.98Å; W397-R427 HydrophobicContact CZ3-CG 3.71Å; W397-F435 WeakPolarHBondContact O-CB 3.37Å; W397-F435 WeakPolarHBondContact O-CD2 3.36Å
398	M	98.8	Very high	96.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.147	C	C	.	.			trans	-99.5	-2.3	-168.8	-61.3	-177.9	67.6	0	0	114.9	F288 W290 M292 F351 A394 E400 Y401 A402 I405 F435	F288-M398 HydrophobicContact CE2-CE 4.28Å; W290-M398 HydrophobicContact CE3-CE 4.5Å; W290-M398 HydrophobicContact CZ3-CE 3.85Å; M292-M398 HydrophobicContact CE-CE 4.41Å; M292-M398 HydrophobicContact CE-SD 3.76Å; M292-M398 HydrophobicContact SD-CE 3.85Å; M292-M398 HydrophobicContact SD-SD 3.89Å; F351-M398 HydrophobicContact CD2-CG 4.45Å; F351-M398 HydrophobicContact CE2-CG 3.9Å; F351-M398 HydrophobicContact CE2-SD 4.1Å; A394-M398 HydrophobicContact CB-CB 4.5Å; A394-M398 HydrophobicContact CB-CG 4.49Å; A394-M398 HydrophobicContact CB-SD 3.94Å; A394-M398 WeakPolarHBondContact O-CB 3.31Å; A394-M398 PolarHBondContact O-N 3.03Å; M398-E400 PolarHBondContact O-N 3.47Å; M398-Y401 WeakPolarHBondContact O-CA 3.43Å; M398-Y401 VanDerWaalsContact O-CB 3.29Å; M398-Y401 WeakPolarHBondContact O-CB 3.34Å; M398-Y401 PolarHBondContact O-N 2.68Å; M398-A402 HydrophobicContact CB-CB 4.35Å; M398-I405 HydrophobicContact CE-CD1 3.69Å; M398-I405 HydrophobicContact CE-CG1 4.43Å; M398-I405 HydrophobicContact SD-CD1 3.64Å; M398-F435 HydrophobicContact CB-CD1 4.24Å; M398-F435 HydrophobicContact CB-CD2 4.48Å; M398-F435 HydrophobicContact CB-CE1 4.28Å; M398-F435 HydrophobicContact CB-CG 4.33Å; M398-F435 HydrophobicContact CB-CZ 4.42Å; M398-F435 HydrophobicContact CE-CE1 3.96Å; M398-F435 HydrophobicContact CE-CZ 3.88Å; M398-F435 HydrophobicContact CG-CD2 4.29Å; M398-F435 HydrophobicContact CG-CE1 4.26Å; M398-F435 HydrophobicContact CG-CE2 3.95Å; M398-F435 HydrophobicContact CG-CZ 3.93Å; M398-F435 WeakPolarHBondContact O-CD1 3.42Å
399	D	98.7	Very high	96.3	Very high	56 Å²	56	33 Å²	33	30%	0.299	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	48.8	-133.4	177.4	-57.1	-33.1	0	0	0	112.1	Y401 A402 R427 N434 F435	D399-Y401 PolarHBondContact O-N 3.13Å; D399-Y401 VanDerWaalsContact O-N 3.15Å; D399-A402 PolarHBondContact O-N 2.89Å; D399-R427 VanDerWaalsContact CG-NH2 3.3Å; D399-R427 IonicContact OD1-CZ 2.82Å; D399-R427 VanDerWaalsContact OD1-CZ 3.26Å; D399-R427 IonicContact OD1-NH1 2.79Å; D399-R427 PolarHBondContact OD1-NH1 3.23Å; D399-R427 IonicContact OD1-NH2 2.73Å; D399-R427 PolarHBondContact OD1-NH2 3.13Å; D399-R427 IonicContact OD2-CZ 3.93Å; D399-R427 IonicContact OD2-NH1 3.58Å; D399-R427 IonicContact OD2-NH2 2.77Å; D399-R427 PolarHBondContact OD2-NH2 3.19Å; D399-N434 WeakPolarHBondContact OD2-CA 3.37Å; D399-N434 WeakPolarHBondContact OD2-CB 3.39Å; D399-F435 HydrophobicContact CB-CB 4.17Å; D399-F435 WeakPolarHBondContact OD2-CB 3.1Å; D399-F435 PolarHBondContact OD2-N 2.83Å
400	E	98.3	Very high	96	Very high	105 Å²	105	36.5 Å²	36.5	49%	0.491	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-62.5	-18.4	178.2	68.6	-89	-152.8	0	0	113.8	M398 A402 E403	M398-E400 PolarHBondContact O-N 3.47Å; E400-A402 VanDerWaalsContact C-N 3.3Å; E400-A402 PolarHBondContact O-N 3.32Å; E400-E403 WeakPolarHBondContact O-CB 3.25Å; E400-E403 PolarHBondContact O-N 3.17Å
401	Y	98.4	Very high	95.7	Very high	31 Å²	31	41.2 Å²	41.2	12%	0.122	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-78.2	-14.7	-177.8	-66.9	-103	0	0	0	113.2	W290 M398 D399 E403 Y404 F435 K436 M439	W290-Y401 AromaticContact CH2-CD1 3.53Å; W290-Y401 HydrophobicContact CH2-CD1 3.53Å; W290-Y401 HydrophobicContact CH2-CE1 4.46Å; W290-Y401 HydrophobicContact CH2-CG 4.19Å; W290-Y401 HydrophobicContact CZ2-CD1 4.27Å; W290-Y401 HydrophobicContact CZ3-CD1 4.22Å; M398-Y401 WeakPolarHBondContact O-CA 3.43Å; M398-Y401 VanDerWaalsContact O-CB 3.29Å; M398-Y401 WeakPolarHBondContact O-CB 3.34Å; M398-Y401 PolarHBondContact O-N 2.68Å; D399-Y401 PolarHBondContact O-N 3.13Å; D399-Y401 VanDerWaalsContact O-N 3.15Å; Y401-E403 PolarHBondContact O-N 3.49Å; Y401-Y404 AromaticContact CD1-CD2 3.83Å; Y401-Y404 HydrophobicContact CD1-CD2 3.83Å; Y401-Y404 AromaticContact CD1-CE2 3.65Å; Y401-Y404 HydrophobicContact CD1-CE2 3.65Å; Y401-Y404 HydrophobicContact CE1-CE2 4.19Å; Y401-Y404 HydrophobicContact CG-CD2 4.27Å; Y401-Y404 HydrophobicContact CG-CE2 4.21Å; Y401-Y404 PolarHBondContact O-N 2.98Å; Y401-Y404 VanDerWaalsContact O-N 3.13Å; Y401-F435 HydrophobicContact CD1-CD1 4.48Å; Y401-F435 AromaticContact CD2-CD1 3.65Å; Y401-F435 HydrophobicContact CD2-CD1 3.65Å; Y401-F435 HydrophobicContact CD2-CE1 4.45Å; Y401-F435 HydrophobicContact CE2-CD1 4.39Å; Y401-F435 AromaticContact CG-CD1 3.7Å; Y401-F435 HydrophobicContact CG-CD1 3.7Å; Y401-F435 HydrophobicContact CG-CE1 4.07Å; Y401-K436 HydrophobicContact CE2-CB 4.03Å; Y401-M439 HydrophobicContact CD1-CG 4.2Å; Y401-M439 HydrophobicContact CE1-CB 4.33Å; Y401-M439 HydrophobicContact CE1-CG 3.92Å
402	A	98.1	Very high	95.5	Very high	7 Å²	7	41.2 Å²	41.2	6%	0.058	19%	0.192	C	C	.	.	H	α-helix	trans	-55.9	-30.9	171	0	0	0	0	0	111.8	A394 M398 D399 E400 Y404 I405 Y406	A394-A402 HydrophobicContact CB-CB 3.89Å; M398-A402 HydrophobicContact CB-CB 4.35Å; D399-A402 PolarHBondContact O-N 2.89Å; E400-A402 VanDerWaalsContact C-N 3.3Å; E400-A402 PolarHBondContact O-N 3.32Å; A402-Y404 VanDerWaalsContact C-N 3.28Å; A402-Y404 PolarHBondContact O-N 2.95Å; A402-I405 WeakPolarHBondContact O-CB 3.47Å; A402-I405 PolarHBondContact O-N 2.89Å; A402-I405 VanDerWaalsContact O-N 3.07Å; A402-Y406 HydrophobicContact CB-CE2 4.06Å; A402-Y406 PolarHBondContact O-N 2.89Å
403	E	97.1	Very high	95.3	Very high	70 Å²	70	45.9 Å²	45.9	33%	0.327	21%	0.209	S	C	.	.	H	α-helix	trans	-59.8	-34.6	178.3	179.8	54.4	-157	0	0	113	E400 Y401 I405 Y406 Q407 R413	E400-E403 WeakPolarHBondContact O-CB 3.25Å; E400-E403 PolarHBondContact O-N 3.17Å; Y401-E403 PolarHBondContact O-N 3.49Å; E403-I405 PolarHBondContact O-N 2.89Å; E403-Y406 PolarHBondContact O-N 3.06Å; E403-Y406 VanDerWaalsContact O-N 3.09Å; E403-Q407 WeakPolarHBondContact O-CG 3.43Å; E403-Q407 PolarHBondContact O-N 2.8Å; E403-R413 IonicContact OE1-CZ 2.68Å; E403-R413 IonicContact OE1-NH1 2.79Å; E403-R413 IonicContact OE1-NH2 3.6Å; E403-R413 PolarHBondContact OE1-NH2 3.28Å; E403-R413 IonicContact OE2-CZ 3.79Å; E403-R413 IonicContact OE2-NH1 3.61Å; E403-R413 PolarHBondContact OE2-NH1 2.79Å; E403-R413 IonicContact OE2-NH2 3.55Å; E403-R413 PolarHBondContact OE2-NH2 3.21Å; E403-R413 VanDerWaalsContact OE2-NH2 3.17Å
404	Y	95.9	Very high	95	Very high	63 Å²	63	54 Å²	54	25%	0.247	25%	0.247	C	C	.	.	H	α-helix	trans	-68.4	-23.8	177.8	-62.3	-61.4	0	0	0	113.2	W290 Y401 A402 R408 P452 V453	W290-Y404 HydrophobicContact CE3-CD2 4.4Å; W290-Y404 HydrophobicContact CE3-CG 4.39Å; W290-Y404 HydrophobicContact CH2-CD2 4.34Å; W290-Y404 HydrophobicContact CZ3-CD2 4.15Å; Y401-Y404 AromaticContact CD1-CD2 3.83Å; Y401-Y404 HydrophobicContact CD1-CD2 3.83Å; Y401-Y404 AromaticContact CD1-CE2 3.65Å; Y401-Y404 HydrophobicContact CD1-CE2 3.65Å; Y401-Y404 HydrophobicContact CE1-CE2 4.19Å; Y401-Y404 HydrophobicContact CG-CD2 4.27Å; Y401-Y404 HydrophobicContact CG-CE2 4.21Å; Y401-Y404 PolarHBondContact O-N 2.98Å; Y401-Y404 VanDerWaalsContact O-N 3.13Å; A402-Y404 VanDerWaalsContact C-N 3.28Å; A402-Y404 PolarHBondContact O-N 2.95Å; Y404-R408 PolarHBondContact O-NH1 3.05Å; Y404-P452 HydrophobicContact CD1-CB 3.7Å; Y404-P452 HydrophobicContact CD2-CB 3.62Å; Y404-P452 HydrophobicContact CE1-CB 3.69Å; Y404-P452 HydrophobicContact CE2-CB 3.62Å; Y404-P452 HydrophobicContact CE2-CG 4.39Å; Y404-P452 HydrophobicContact CG-CB 3.66Å; Y404-V453 HydrophobicContact CD1-CG2 4.33Å; Y404-V453 HydrophobicContact CE1-CG2 3.68Å
405	I	95.9	Very high	94.7	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-73.1	-46.5	169.5	-57.2	168.2	0	0	0	109	W290 M292 A394 M398 A402 E403 Q407 R408 R409 Y412	W290-I405 HydrophobicContact CE3-CG1 4.45Å; W290-I405 WeakPolarHBondContact O-CA 3.22Å; M292-I405 HydrophobicContact CG-CD1 3.56Å; M292-I405 HydrophobicContact CG-CG1 4.06Å; M292-I405 HydrophobicContact SD-CD1 3.71Å; M292-I405 HydrophobicContact SD-CG1 4.37Å; A394-I405 HydrophobicContact CB-CD1 3.89Å; M398-I405 HydrophobicContact CE-CD1 3.69Å; M398-I405 HydrophobicContact CE-CG1 4.43Å; M398-I405 HydrophobicContact SD-CD1 3.64Å; A402-I405 WeakPolarHBondContact O-CB 3.47Å; A402-I405 PolarHBondContact O-N 2.89Å; A402-I405 VanDerWaalsContact O-N 3.07Å; E403-I405 PolarHBondContact O-N 2.89Å; I405-Q407 VanDerWaalsContact C-N 3.25Å; I405-Q407 PolarHBondContact O-N 3.1Å; I405-R408 CarbonylContact O-C 3.6Å; I405-R408 PolarHBondContact O-N 2.81Å; I405-R409 PolarHBondContact O-N 2.88Å; I405-Y412 HydrophobicContact CG2-CD2 3.89Å; I405-Y412 HydrophobicContact CG2-CE2 4.03Å
406	Y	94.4	Very high	94.5	Very high	15 Å²	15	57.6 Å²	57.6	6%	0.059	27%	0.274	C	S	.	.	H	α-helix	trans	-67.3	-25.1	-176.7	-55.4	-22	0	0	0	113.5	K391 E395 A402 E403 R408 R409 P410 Y412 R413	K391-Y406 PolarHBondContact NZ-OH 3.35Å; E395-Y406 PolarHBondContact OE1-OH 3.08Å; A402-Y406 HydrophobicContact CB-CE2 4.06Å; A402-Y406 PolarHBondContact O-N 2.89Å; E403-Y406 PolarHBondContact O-N 3.06Å; E403-Y406 VanDerWaalsContact O-N 3.09Å; Y406-R408 VanDerWaalsContact C-N 3.31Å; Y406-R409 CarbonylContact O-C 3.54Å; Y406-P410 VanDerWaalsContact O-CA 3.25Å; Y406-P410 WeakPolarHBondContact O-CA 3.38Å; Y406-Y412 HydrophobicContact CD1-CD2 4.47Å; Y406-Y412 HydrophobicContact CE1-CD2 4.35Å; Y406-R413 HydrophobicContact CG-CG 4.27Å
407	Q	89.9	Confident	94.3	Very high	100 Å²	100	58 Å²	58	47%	0.467	28%	0.278	S	S	.	.	H	α-helix	trans	-67.7	-31.2	170.7	-72.6	171.1	2.9	0	0	112.7	E403 I405	E403-Q407 WeakPolarHBondContact O-CG 3.43Å; E403-Q407 PolarHBondContact O-N 2.8Å; I405-Q407 VanDerWaalsContact C-N 3.25Å; I405-Q407 PolarHBondContact O-N 3.1Å
408	R	87.9	Confident	94.1	Very high	65 Å²	65	59.5 Å²	59.5	25%	0.245	30%	0.295	C	S	.	.	H	α-helix	trans	-93.6	-26.5	180	-68.9	171.9	174.1	78.1	-1.9	113.1	E291 Y404 I405 Y406 P451 P452 E454	E291-R408 HydrophobicContact CG-CB 4.13Å; Y404-R408 PolarHBondContact O-NH1 3.05Å; I405-R408 CarbonylContact O-C 3.6Å; I405-R408 PolarHBondContact O-N 2.81Å; Y406-R408 VanDerWaalsContact C-N 3.31Å; R408-P451 PolarHBondContact NH2-O 2.9Å; R408-P452 PolarHBondContact NH1-O 3.21Å; R408-P452 PolarHBondContact NH2-O 2.77Å; R408-E454 IonicContact NH2-OE1 3.86Å
409	R	88.3	Confident	94	Very high	73 Å²	73	64.9 Å²	64.9	28%	0.275	32%	0.323	S	S	.	.			trans	-127.6	71.8	177.3	-60.9	-66	-177.3	161.1	-1.7	109.7	E291 I405 Y406 E411 Y412	E291-R409 IonicContact OE2-CZ 2.95Å; E291-R409 IonicContact OE2-NE 3.82Å; E291-R409 PolarHBondContact OE2-NE 3.12Å; E291-R409 IonicContact OE2-NH2 3.84Å; E291-R409 PolarHBondContact OE2-NH2 3.35Å; I405-R409 PolarHBondContact O-N 2.88Å; Y406-R409 CarbonylContact O-C 3.54Å; R409-E411 VanDerWaalsContact CA-OE2 3.24Å; R409-E411 WeakPolarHBondContact CA-OE2 3.22Å; R409-E411 VanDerWaalsContact CD-OE1 3.28Å; R409-E411 WeakPolarHBondContact CD-OE1 2.92Å; R409-E411 IonicContact NH1-OE1 3.89Å; R409-E411 PolarHBondContact O-N 3.05Å; R409-E411 VanDerWaalsContact O-N 3.09Å; R409-Y412 HydrophobicContact CB-CD1 3.72Å; R409-Y412 HydrophobicContact CB-CD2 4.35Å; R409-Y412 HydrophobicContact CB-CE1 3.86Å; R409-Y412 HydrophobicContact CB-CE2 4.5Å; R409-Y412 HydrophobicContact CB-CG 3.97Å; R409-Y412 HydrophobicContact CG-CE1 4.23Å; R409-Y412 WeakPolarHBondContact O-CB 3.24Å; R409-Y412 PolarHBondContact O-N 2.63Å
410	P	90	Very high	94	Very high	74 Å²	74	63 Å²	63	48%	0.481	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.8	-177.4	-26.2	36.1	0	0	0	113.8	Y406 Y412 R413	Y406-P410 VanDerWaalsContact O-CA 3.25Å; Y406-P410 WeakPolarHBondContact O-CA 3.38Å; P410-Y412 PolarHBondContact O-N 3.08Å; P410-Y412 VanDerWaalsContact O-N 3.14Å; P410-R413 WeakPolarHBondContact O-CB 3.28Å; P410-R413 PolarHBondContact O-N 3.38Å; P410-R413 VanDerWaalsContact O-N 3.08Å
411	E	90	Very high	94	Very high	103 Å²	103	61.6 Å²	61.6	48%	0.481	31%	0.313	S	S	.	.	H	α-helix	trans	-59.5	-22.2	175.6	71	-78.3	-164.5	0	0	113.2	R409 R413 L415	R409-E411 VanDerWaalsContact CA-OE2 3.24Å; R409-E411 WeakPolarHBondContact CA-OE2 3.22Å; R409-E411 VanDerWaalsContact CD-OE1 3.28Å; R409-E411 WeakPolarHBondContact CD-OE1 2.92Å; R409-E411 IonicContact NH1-OE1 3.89Å; R409-E411 PolarHBondContact O-N 3.05Å; R409-E411 VanDerWaalsContact O-N 3.09Å; E411-R413 VanDerWaalsContact C-N 3.27Å; E411-R413 PolarHBondContact O-N 3.04Å; E411-L415 PolarHBondContact O-N 2.9Å
412	Y	93.2	Very high	94	Very high	16 Å²	16	63.3 Å²	63.3	6%	0.063	33%	0.329	C	S	.	.	H	α-helix	trans	-72.3	-18.6	177.4	-76.1	28.5	0	0	0	112.7	A387 L390 K391 I405 Y406 R409 P410	A387-Y412 VanDerWaalsContact CA-CZ 3.48Å; A387-Y412 WeakPolarHBondContact CA-OH 3.45Å; A387-Y412 HydrophobicContact CB-CD1 3.94Å; A387-Y412 HydrophobicContact CB-CE1 3.22Å; A387-Y412 HydrophobicContact CB-CE2 4.24Å; A387-Y412 VanDerWaalsContact CB-CZ 3.4Å; L390-Y412 HydrophobicContact CB-CE2 4.11Å; L390-Y412 HydrophobicContact CD1-CE2 4.48Å; K391-Y412 WeakPolarHBondContact CD-O 3.34Å; K391-Y412 WeakPolarHBondContact CE-O 3.4Å; K391-Y412 PolarHBondContact NZ-O 2.82Å; I405-Y412 HydrophobicContact CG2-CD2 3.89Å; I405-Y412 HydrophobicContact CG2-CE2 4.03Å; Y406-Y412 HydrophobicContact CD1-CD2 4.47Å; Y406-Y412 HydrophobicContact CE1-CD2 4.35Å; R409-Y412 HydrophobicContact CB-CD1 3.72Å; R409-Y412 HydrophobicContact CB-CD2 4.35Å; R409-Y412 HydrophobicContact CB-CE1 3.86Å; R409-Y412 HydrophobicContact CB-CE2 4.5Å; R409-Y412 HydrophobicContact CB-CG 3.97Å; R409-Y412 HydrophobicContact CG-CE1 4.23Å; R409-Y412 WeakPolarHBondContact O-CB 3.24Å; R409-Y412 PolarHBondContact O-N 2.63Å; P410-Y412 PolarHBondContact O-N 3.08Å; P410-Y412 VanDerWaalsContact O-N 3.14Å
413	R	93.2	Very high	94	Very high	107 Å²	107	63.7 Å²	63.7	40%	0.404	33%	0.329	S	S	.	.	H	α-helix	trans	-66.4	-41	178.4	-66.3	-172.5	-174.9	-78.4	-4.7	112.2	E403 Y406 P410 E411	E403-R413 IonicContact OE1-CZ 2.68Å; E403-R413 IonicContact OE1-NH1 2.79Å; E403-R413 IonicContact OE1-NH2 3.6Å; E403-R413 PolarHBondContact OE1-NH2 3.28Å; E403-R413 IonicContact OE2-CZ 3.79Å; E403-R413 IonicContact OE2-NH1 3.61Å; E403-R413 PolarHBondContact OE2-NH1 2.79Å; E403-R413 IonicContact OE2-NH2 3.55Å; E403-R413 PolarHBondContact OE2-NH2 3.21Å; E403-R413 VanDerWaalsContact OE2-NH2 3.17Å; Y406-R413 HydrophobicContact CG-CG 4.27Å; P410-R413 WeakPolarHBondContact O-CB 3.28Å; P410-R413 PolarHBondContact O-N 3.38Å; P410-R413 VanDerWaalsContact O-N 3.08Å; E411-R413 VanDerWaalsContact C-N 3.27Å; E411-R413 PolarHBondContact O-N 3.04Å
414	H	92.7	Very high	94.1	Very high	174 Å²	174	64.5 Å²	64.5	81%	0.806	33%	0.332	S	S	*	.	H	α-helix	trans	-94	-7.8	-177	-56.3	-62.3	0	0	0	112.8
415	L	92.9	Very high	94.2	Very high	57 Å²	57	67.2 Å²	67.2	30%	0.298	35%	0.347	S	S	.	.	S	Bend	trans	-72	129	174.4	-178.7	65	0	0	0	110.6	A387 R388 K391 E411	A387-L415 HydrophobicContact CB-CD2 3.54Å; R388-L415 HydrophobicContact CB-CD2 4.39Å; K391-L415 HydrophobicContact CD-CB 4.25Å; K391-L415 HydrophobicContact CD-CG 4.45Å; K391-L415 WeakPolarHBondContact CD-O 3.34Å; K391-L415 WeakPolarHBondContact CE-O 3.29Å; E411-L415 PolarHBondContact O-N 2.9Å
416	S	93.4	Very high	94.3	Very high	87 Å²	87	68.9 Å²	68.9	61%	0.608	36%	0.356	S	S	*	.			trans	-71.9	129.6	171.6	-179	0	0	0	0	111.2	G418	S416-G418 PolarHBondContact OG-N 2.97Å; S416-G418 VanDerWaalsContact OG-N 3.17Å
417	A	94.4	Very high	94.5	Very high	11 Å²	11	69.6 Å²	69.6	9%	0.091	36%	0.358	C	S	.	.			trans	-78.6	-8.7	170.9	0	0	0	0	0	112.6	K391 R392 V420	K391-A417 HydrophobicContact CD-CB 3.99Å; K391-A417 HydrophobicContact CG-CB 4.05Å; R392-A417 WeakPolarHBondContact CD-O 3.35Å; R392-A417 HydrophobicContact CG-CB 4Å; R392-A417 WeakPolarHBondContact CG-O 3.25Å; R392-A417 PolarHBondContact NH1-O 3.11Å; A417-V420 HydrophobicContact CB-CG1 4.28Å
418	G	94.8	Very high	94.9	Very high	35 Å²	35	70.3 Å²	70.3	36%	0.361	37%	0.365	S	S	.	.			trans	70.1	-169.7	-162.9	0	0	0	0	0	112	S416 V420	S416-G418 PolarHBondContact OG-N 2.97Å; S416-G418 VanDerWaalsContact OG-N 3.17Å; G418-V420 PolarHBondContact O-N 2.9Å
419	D	97	Very high	95.4	Very high	112 Å²	112	75.5 Å²	75.5	60%	0.599	39%	0.39	S	S	*	.			trans	-73.5	125.2	177.8	-176.4	15.2	0	0	0	111.4	R392 T421	R392-D419 PolarHBondContact NH1-O 2.61Å; R392-D419 PolarHBondContact NH2-O 3.15Å; D419-T421 VanDerWaalsContact OD1-CB 3.22Å; D419-T421 WeakPolarHBondContact OD1-CB 3.43Å; D419-T421 PolarHBondContact OD1-N 3.13Å; D419-T421 PolarHBondContact OD1-OG1 3.08Å
420	V	98.1	Very high	95.9	Very high	18 Å²	18	74.2 Å²	74.2	11%	0.109	39%	0.388	C	S	.	.			trans	-119.7	9.5	179.1	-64.2	0	0	0	0	112.3	R392 V396 A417 G418 S422 Q423 K424	R392-V420 HydrophobicContact CB-CG1 4.39Å; R392-V420 HydrophobicContact CG-CG1 4.12Å; V396-V420 HydrophobicContact CG2-CB 3.77Å; V396-V420 HydrophobicContact CG2-CG1 4.13Å; V396-V420 HydrophobicContact CG2-CG2 4.4Å; A417-V420 HydrophobicContact CB-CG1 4.28Å; G418-V420 PolarHBondContact O-N 2.9Å; V420-S422 PolarHBondContact O-N 3.45Å; V420-Q423 PolarHBondContact O-N 2.82Å; V420-K424 HydrophobicContact CG2-CD 4.25Å; V420-K424 PolarHBondContact O-N 2.99Å
421	T	98.3	Very high	96.3	Very high	75 Å²	75	77.5 Å²	77.5	46%	0.46	40%	0.401	S	S	.	.	H	α-helix	trans	-58.8	-50.5	-173.7	-54.6	0	0	0	0	111.6	D419 Q423 K424 E425	D419-T421 VanDerWaalsContact OD1-CB 3.22Å; D419-T421 WeakPolarHBondContact OD1-CB 3.43Å; D419-T421 PolarHBondContact OD1-N 3.13Å; D419-T421 PolarHBondContact OD1-OG1 3.08Å; T421-Q423 PolarHBondContact O-N 3.29Å; T421-K424 PolarHBondContact O-N 3.07Å; T421-K424 VanDerWaalsContact O-N 3.13Å; T421-E425 WeakPolarHBondContact O-CG 3.34Å; T421-E425 PolarHBondContact O-N 3.45Å
422	S	97.9	Very high	96.7	Very high	66 Å²	66	73.7 Å²	73.7	46%	0.462	39%	0.386	S	S	.	.	H	α-helix	trans	-60	-33.9	179.2	64.8	0	0	0	0	113.3	V420 L426	V420-S422 PolarHBondContact O-N 3.45Å; S422-L426 WeakPolarHBondContact O-CB 3.42Å; S422-L426 PolarHBondContact O-N 3.39Å
423	Q	98.5	Very high	96.9	Very high	15 Å²	15	77.9 Å²	77.9	7%	0.07	41%	0.405	C	S	.	.	H	α-helix	trans	-73.1	-38.6	178.5	-59.8	-57.5	-26.8	0	0	111.5	D336 V396 V420 T421 L426 R427	D336-Q423 HydrophobicContact CB-CG 4.12Å; D336-Q423 PolarHBondContact OD1-NE2 2.74Å; V396-Q423 HydrophobicContact CB-CB 4.48Å; V396-Q423 HydrophobicContact CG1-CB 3.83Å; V396-Q423 HydrophobicContact CG2-CB 3.82Å; V420-Q423 PolarHBondContact O-N 2.82Å; T421-Q423 PolarHBondContact O-N 3.29Å; Q423-L426 PolarHBondContact O-N 3.39Å; Q423-R427 PolarHBondContact O-N 3.32Å
424	K	98.4	Very high	97.2	Very high	87 Å²	87	76.7 Å²	76.7	38%	0.378	41%	0.406	S	S	.	.	H	α-helix	trans	-66	-41.3	173.2	-69.7	-177.4	174.9	-177	0	111.5	E395 V396 V420 T421 R427 N428	E395-K424 WeakPolarHBondContact O-CE 3.34Å; V396-K424 HydrophobicContact CG1-CG 4.45Å; V396-K424 HydrophobicContact CG2-CG 4.26Å; V420-K424 HydrophobicContact CG2-CD 4.25Å; V420-K424 PolarHBondContact O-N 2.99Å; T421-K424 PolarHBondContact O-N 3.07Å; T421-K424 VanDerWaalsContact O-N 3.13Å; K424-R427 PolarHBondContact O-N 2.75Å; K424-N428 VanDerWaalsContact O-CG 3.3Å; K424-N428 PolarHBondContact O-N 2.98Å; K424-N428 PolarHBondContact O-ND2 2.87Å
425	E	98.5	Very high	97.5	Very high	121 Å²	121	68.4 Å²	68.4	57%	0.565	37%	0.368	S	S	*	.	H	α-helix	trans	-62.5	-42.4	174.5	-72.8	175	175.3	0	0	112.3	T421 N428 K429	T421-E425 WeakPolarHBondContact O-CG 3.34Å; T421-E425 PolarHBondContact O-N 3.45Å; E425-N428 PolarHBondContact O-N 3.42Å; E425-K429 WeakPolarHBondContact O-CB 3.38Å; E425-K429 PolarHBondContact O-N 3.31Å
426	L	98.6	Very high	97.8	Very high	36 Å²	36	70.5 Å²	70.5	19%	0.188	38%	0.375	C	S	.	.	H	α-helix	trans	-58.5	-48.2	174.4	175.6	63.8	0	0	0	111.3	S422 Q423 N428 K429 L430	S422-L426 WeakPolarHBondContact O-CB 3.42Å; S422-L426 PolarHBondContact O-N 3.39Å; Q423-L426 PolarHBondContact O-N 3.39Å; L426-N428 VanDerWaalsContact C-N 3.31Å; L426-N428 PolarHBondContact O-N 3.3Å; L426-K429 PolarHBondContact O-N 2.94Å; L426-L430 HydrophobicContact CD1-CD1 3.83Å; L426-L430 HydrophobicContact CD1-CG 4.1Å; L426-L430 HydrophobicContact CG-CD1 4.05Å; L426-L430 WeakPolarHBondContact O-CB 3.5Å; L426-L430 WeakPolarHBondContact O-CG 3.34Å; L426-L430 PolarHBondContact O-N 2.79Å
427	R	98.6	Very high	98	Very high	29 Å²	29	69.6 Å²	69.6	11%	0.109	36%	0.358	C	S	.	.	H	α-helix	trans	-57.3	-43.9	176.9	-178.5	177.9	175.7	-160.6	-4.8	111.9	V396 W397 D399 Q423 K424 N431 C432	V396-R427 VanDerWaalsContact O-CD 3.23Å; V396-R427 WeakPolarHBondContact O-CD 3.28Å; V396-R427 PolarHBondContact O-NH1 2.8Å; W397-R427 HydrophobicContact CE3-CG 4.23Å; W397-R427 HydrophobicContact CH2-CB 3.82Å; W397-R427 HydrophobicContact CH2-CG 4.1Å; W397-R427 HydrophobicContact CZ2-CB 4.45Å; W397-R427 HydrophobicContact CZ3-CB 3.98Å; W397-R427 HydrophobicContact CZ3-CG 3.71Å; D399-R427 VanDerWaalsContact CG-NH2 3.3Å; D399-R427 IonicContact OD1-CZ 2.82Å; D399-R427 VanDerWaalsContact OD1-CZ 3.26Å; D399-R427 IonicContact OD1-NH1 2.79Å; D399-R427 PolarHBondContact OD1-NH1 3.23Å; D399-R427 IonicContact OD1-NH2 2.73Å; D399-R427 PolarHBondContact OD1-NH2 3.13Å; D399-R427 IonicContact OD2-CZ 3.93Å; D399-R427 IonicContact OD2-NH1 3.58Å; D399-R427 IonicContact OD2-NH2 2.77Å; D399-R427 PolarHBondContact OD2-NH2 3.19Å; Q423-R427 PolarHBondContact O-N 3.32Å; K424-R427 PolarHBondContact O-N 2.75Å; R427-N431 PolarHBondContact O-N 2.94Å; R427-C432 HydrophobicContact CG-CB 4.02Å; R427-C432 PolarHBondContact O-N 3.09Å; R427-C432 PolarHBondContact O-SG 2.66Å; R427-C432 VanDerWaalsContact O-SG 3.35Å
428	N	98.3	Very high	98.2	Very high	116 Å²	116	69.1 Å²	69.1	62%	0.62	35%	0.354	S	S	*	.	H	α-helix	trans	-65.6	-46.6	177.3	-69.2	-20.4	0	0	0	111.7	K424 E425 L426 L430 N431	K424-N428 VanDerWaalsContact O-CG 3.3Å; K424-N428 PolarHBondContact O-N 2.98Å; K424-N428 PolarHBondContact O-ND2 2.87Å; E425-N428 PolarHBondContact O-N 3.42Å; L426-N428 VanDerWaalsContact C-N 3.31Å; L426-N428 PolarHBondContact O-N 3.3Å; N428-L430 VanDerWaalsContact C-N 3.27Å; N428-L430 PolarHBondContact O-N 2.63Å; N428-N431 PolarHBondContact O-N 3.13Å; N428-N431 PolarHBondContact O-OD1 3.45Å
429	K	98.3	Very high	98.4	Very high	173 Å²	173	67.6 Å²	67.6	75%	0.752	34%	0.337	S	S	*	.	H	α-helix	trans	-60.5	-35.8	180	-177.5	179.7	178.2	-178.6	0	112.7	E425 L426 N431	E425-K429 WeakPolarHBondContact O-CB 3.38Å; E425-K429 PolarHBondContact O-N 3.31Å; L426-K429 PolarHBondContact O-N 2.94Å; K429-N431 PolarHBondContact O-N 3.41Å
430	L	98.3	Very high	98.5	Very high	47 Å²	47	66.4 Å²	66.4	25%	0.246	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-3.1	177.2	-70.9	175.9	0	0	0	113.5	L332 C356 L426 N428 C432	L332-L430 HydrophobicContact CD2-CD1 4.33Å; C356-L430 HydrophobicContact CB-CB 4.28Å; C356-L430 HydrophobicContact CB-CD1 4.4Å; L426-L430 HydrophobicContact CD1-CD1 3.83Å; L426-L430 HydrophobicContact CD1-CG 4.1Å; L426-L430 HydrophobicContact CG-CD1 4.05Å; L426-L430 WeakPolarHBondContact O-CB 3.5Å; L426-L430 WeakPolarHBondContact O-CG 3.34Å; L426-L430 PolarHBondContact O-N 2.79Å; N428-L430 VanDerWaalsContact C-N 3.27Å; N428-L430 PolarHBondContact O-N 2.63Å; L430-C432 WeakPolarHBondContact CB-SG 3.26Å; L430-C432 PolarHBondContact O-N 3.17Å
431	N	98.2	Very high	98.5	Very high	142 Å²	142	71.5 Å²	71.5	76%	0.759	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	43.4	-176.8	-60.9	-60.4	0	0	0	112.3	R427 N428 K429	R427-N431 PolarHBondContact O-N 2.94Å; N428-N431 PolarHBondContact O-N 3.13Å; N428-N431 PolarHBondContact O-OD1 3.45Å; K429-N431 PolarHBondContact O-N 3.41Å
432	C	98.6	Very high	98.5	Very high	23 Å²	23	68.2 Å²	68.2	16%	0.155	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-69.3	147.9	-176.7	-49.6	0	0	0	0	111.4	M355 C356 R427 L430	M355-C432 HydrophobicContact CB-CB 4.12Å; M355-C432 CarbonylContact O-C 3.6Å; M355-C432 VanDerWaalsContact O-CA 3.27Å; M355-C432 WeakPolarHBondContact O-CA 3.37Å; C356-C432 HydrophobicContact CB-CB 4.07Å; C356-C432 WeakPolarHBondContact CB-SG 3.14Å; C356-C432 WeakPolarHBondContact SG-CB 3.36Å; C356-C432 CovalentContact SG-SG 2.04Å; C356-C432 PolarHBondContact SG-SG 2.72Å; R427-C432 HydrophobicContact CG-CB 4.02Å; R427-C432 PolarHBondContact O-N 3.09Å; R427-C432 PolarHBondContact O-SG 2.66Å; R427-C432 VanDerWaalsContact O-SG 3.35Å; L430-C432 WeakPolarHBondContact CB-SG 3.26Å; L430-C432 PolarHBondContact O-N 3.17Å
433	K	98.8	Very high	98.5	Very high	104 Å²	104	65.1 Å²	65.1	45%	0.452	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-64.7	163.6	171	-58.7	-179.4	-175.8	-73.7	0	110.7	M355 W437	M355-K433 WeakPolarHBondContact CE-O 3.19Å; M355-K433 PolarHBondContact O-N 2.97Å; K433-W437 HydrophobicContact CB-CB 4.18Å; K433-W437 HydrophobicContact CB-CD2 3.91Å; K433-W437 HydrophobicContact CB-CE3 3.79Å; K433-W437 HydrophobicContact CB-CG 4.05Å; K433-W437 HydrophobicContact CD-CD2 3.18Å; K433-W437 HydrophobicContact CD-CE3 3.53Å; K433-W437 HydrophobicContact CD-CG 3.68Å; K433-W437 HydrophobicContact CD-CH2 3.88Å; K433-W437 HydrophobicContact CD-CZ2 3.56Å; K433-W437 HydrophobicContact CD-CZ3 3.86Å; K433-W437 HydrophobicContact CG-CD2 4.18Å; K433-W437 HydrophobicContact CG-CE3 4.3Å; K433-W437 HydrophobicContact CG-CG 4.44Å
434	N	98.6	Very high	98.5	Very high	82 Å²	82	68.2 Å²	68.2	44%	0.439	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-79.7	164.5	175.7	64.5	22.7	0	0	0	112.2	D399 K436 W437 F438	D399-N434 WeakPolarHBondContact OD2-CA 3.37Å; D399-N434 WeakPolarHBondContact OD2-CB 3.39Å; N434-K436 VanDerWaalsContact C-N 3.26Å; N434-K436 PolarHBondContact O-N 2.75Å; N434-W437 WeakPolarHBondContact O-CB 3.49Å; N434-W437 PolarHBondContact O-N 3.32Å; N434-W437 WeakPolarHBondContact OD1-CB 3.49Å; N434-W437 PolarHBondContact OD1-N 2.96Å; N434-F438 PolarHBondContact O-N 3.18Å
435	F	98.8	Very high	98.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-68.4	-29.2	-178.3	-161.8	-108.6	0	0	0	112.3	F288 W290 F351 M355 W397 M398 D399 Y401 W437 F438 M439	F288-F435 HydrophobicContact CZ-CZ 4Å; W290-F435 HydrophobicContact CH2-CE1 4.49Å; F351-F435 AromaticContact CD1-CE2 3.79Å; F351-F435 HydrophobicContact CD1-CE2 3.79Å; F351-F435 HydrophobicContact CD2-CE2 4.08Å; F351-F435 AromaticContact CE1-CE2 3.68Å; F351-F435 HydrophobicContact CE1-CE2 3.68Å; F351-F435 HydrophobicContact CE1-CZ 4.08Å; F351-F435 AromaticContact CE2-CE2 3.95Å; F351-F435 HydrophobicContact CE2-CE2 3.95Å; F351-F435 HydrophobicContact CE2-CZ 4.41Å; F351-F435 HydrophobicContact CG-CE2 4.01Å; F351-F435 AromaticContact CZ-CE2 3.76Å; F351-F435 HydrophobicContact CZ-CE2 3.76Å; F351-F435 AromaticContact CZ-CZ 3.96Å; F351-F435 HydrophobicContact CZ-CZ 3.96Å; M355-F435 HydrophobicContact CE-CB 4.46Å; M355-F435 HydrophobicContact SD-CD2 4.01Å; W397-F435 WeakPolarHBondContact O-CB 3.37Å; W397-F435 WeakPolarHBondContact O-CD2 3.36Å; M398-F435 HydrophobicContact CB-CD1 4.24Å; M398-F435 HydrophobicContact CB-CD2 4.48Å; M398-F435 HydrophobicContact CB-CE1 4.28Å; M398-F435 HydrophobicContact CB-CG 4.33Å; M398-F435 HydrophobicContact CB-CZ 4.42Å; M398-F435 HydrophobicContact CE-CE1 3.96Å; M398-F435 HydrophobicContact CE-CZ 3.88Å; M398-F435 HydrophobicContact CG-CD2 4.29Å; M398-F435 HydrophobicContact CG-CE1 4.26Å; M398-F435 HydrophobicContact CG-CE2 3.95Å; M398-F435 HydrophobicContact CG-CZ 3.93Å; M398-F435 WeakPolarHBondContact O-CD1 3.42Å; D399-F435 HydrophobicContact CB-CB 4.17Å; D399-F435 WeakPolarHBondContact OD2-CB 3.1Å; D399-F435 PolarHBondContact OD2-N 2.83Å; Y401-F435 HydrophobicContact CD1-CD1 4.48Å; Y401-F435 AromaticContact CD2-CD1 3.65Å; Y401-F435 HydrophobicContact CD2-CD1 3.65Å; Y401-F435 HydrophobicContact CD2-CE1 4.45Å; Y401-F435 HydrophobicContact CE2-CD1 4.39Å; Y401-F435 AromaticContact CG-CD1 3.7Å; Y401-F435 HydrophobicContact CG-CD1 3.7Å; Y401-F435 HydrophobicContact CG-CE1 4.07Å; F435-W437 VanDerWaalsContact C-N 3.29Å; F435-W437 PolarHBondContact O-N 3.32Å; F435-F438 HydrophobicContact CD2-CB 4.3Å; F435-F438 HydrophobicContact CD2-CD1 4.12Å; F435-F438 HydrophobicContact CD2-CG 4.43Å; F435-F438 AromaticContact CE2-CD1 3.62Å; F435-F438 HydrophobicContact CE2-CD1 3.62Å; F435-F438 HydrophobicContact CE2-CE1 4.09Å; F435-F438 HydrophobicContact CE2-CG 4.28Å; F435-F438 AromaticContact CZ-CD1 3.89Å; F435-F438 HydrophobicContact CZ-CD1 3.89Å; F435-F438 HydrophobicContact CZ-CE1 4.18Å; F435-F438 WeakPolarHBondContact O-CA 3.36Å; F435-F438 WeakPolarHBondContact O-CB 3.48Å; F435-F438 PolarHBondContact O-N 3.12Å; F435-M439 HydrophobicContact CD1-CG 3.74Å; F435-M439 HydrophobicContact CD1-SD 4.38Å; F435-M439 HydrophobicContact CE1-CG 3.57Å; F435-M439 HydrophobicContact CE1-SD 3.61Å; F435-M439 HydrophobicContact CZ-CG 4.32Å; F435-M439 HydrophobicContact CZ-SD 3.91Å; F435-M439 WeakPolarHBondContact O-CG 3.02Å; F435-M439 PolarHBondContact O-N 3.09Å
436	K	98.7	Very high	98.4	Very high	102 Å²	102	58.4 Å²	58.4	44%	0.443	28%	0.279	S	S	.	.	H	α-helix	trans	-56.8	-42.4	171.3	-175.5	173.3	-179.1	175.5	0	112.1	Y401 N434 M439 N440	Y401-K436 HydrophobicContact CE2-CB 4.03Å; N434-K436 VanDerWaalsContact C-N 3.26Å; N434-K436 PolarHBondContact O-N 2.75Å; K436-M439 PolarHBondContact O-N 3.35Å; K436-N440 WeakPolarHBondContact O-CB 3.29Å; K436-N440 VanDerWaalsContact O-CG 3.23Å; K436-N440 PolarHBondContact O-N 3.08Å
437	W	98.8	Very high	98.3	Very high	68 Å²	68	58.7 Å²	58.7	26%	0.258	28%	0.283	S	S	.	.	H	α-helix	trans	-62	-43.5	173	173.4	90	0	0	0	111.5	W354 K433 N434 F435 M439 N440 E441 V442	W354-W437 HydrophobicContact CB-CZ3 4.41Å; W354-W437 WeakPolarHBondContact O-CZ3 3.23Å; K433-W437 HydrophobicContact CB-CB 4.18Å; K433-W437 HydrophobicContact CB-CD2 3.91Å; K433-W437 HydrophobicContact CB-CE3 3.79Å; K433-W437 HydrophobicContact CB-CG 4.05Å; K433-W437 HydrophobicContact CD-CD2 3.18Å; K433-W437 HydrophobicContact CD-CE3 3.53Å; K433-W437 HydrophobicContact CD-CG 3.68Å; K433-W437 HydrophobicContact CD-CH2 3.88Å; K433-W437 HydrophobicContact CD-CZ2 3.56Å; K433-W437 HydrophobicContact CD-CZ3 3.86Å; K433-W437 HydrophobicContact CG-CD2 4.18Å; K433-W437 HydrophobicContact CG-CE3 4.3Å; K433-W437 HydrophobicContact CG-CG 4.44Å; N434-W437 WeakPolarHBondContact O-CB 3.49Å; N434-W437 PolarHBondContact O-N 3.32Å; N434-W437 WeakPolarHBondContact OD1-CB 3.49Å; N434-W437 PolarHBondContact OD1-N 2.96Å; F435-W437 VanDerWaalsContact C-N 3.29Å; F435-W437 PolarHBondContact O-N 3.32Å; W437-M439 PolarHBondContact O-N 2.65Å; W437-N440 PolarHBondContact O-N 2.92Å; W437-E441 HydrophobicContact CD2-CB 4.4Å; W437-E441 HydrophobicContact CD2-CG 4.35Å; W437-E441 HydrophobicContact CG-CG 4.14Å; W437-E441 HydrophobicContact CZ2-CB 4.23Å; W437-E441 WeakPolarHBondContact O-CB 3.27Å; W437-E441 WeakPolarHBondContact O-CG 3.46Å; W437-E441 PolarHBondContact O-N 3.2Å; W437-V442 HydrophobicContact CH2-CG2 3.78Å; W437-V442 HydrophobicContact CZ3-CG2 3.82Å
438	F	98.9	Very high	98.1	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.304	C	S	.	.	I	π-helix	trans	-58.5	-47.5	176.2	173.2	-92.6	0	0	0	111.3	F288 P315 V316 F351 W354 M355 N434 F435 N440 V442 A443	F288-F438 HydrophobicContact CE1-CE1 4.39Å; P315-F438 HydrophobicContact CB-CZ 4.05Å; V316-F438 HydrophobicContact CG2-CZ 4.37Å; F351-F438 HydrophobicContact CD1-CD1 4.47Å; F351-F438 HydrophobicContact CD1-CE1 4.02Å; F351-F438 HydrophobicContact CD1-CE2 4.14Å; F351-F438 AromaticContact CD1-CZ 3.84Å; F351-F438 HydrophobicContact CD1-CZ 3.84Å; F351-F438 HydrophobicContact CE1-CD1 4.49Å; F351-F438 AromaticContact CE1-CE1 3.78Å; F351-F438 HydrophobicContact CE1-CE1 3.78Å; F351-F438 AromaticContact CE1-CZ 3.83Å; F351-F438 HydrophobicContact CE1-CZ 3.83Å; W354-F438 HydrophobicContact CB-CD2 3.79Å; W354-F438 HydrophobicContact CB-CE2 4Å; W354-F438 AromaticContact CD1-CE2 3.7Å; W354-F438 HydrophobicContact CG-CD2 4.22Å; W354-F438 AromaticContact CG-CE2 3.99Å; W354-F438 HydrophobicContact CG-CE2 3.99Å; M355-F438 HydrophobicContact CG-CB 4.09Å; M355-F438 HydrophobicContact SD-CB 4.43Å; N434-F438 PolarHBondContact O-N 3.18Å; F435-F438 HydrophobicContact CD2-CB 4.3Å; F435-F438 HydrophobicContact CD2-CD1 4.12Å; F435-F438 HydrophobicContact CD2-CG 4.43Å; F435-F438 AromaticContact CE2-CD1 3.62Å; F435-F438 HydrophobicContact CE2-CD1 3.62Å; F435-F438 HydrophobicContact CE2-CE1 4.09Å; F435-F438 HydrophobicContact CE2-CG 4.28Å; F435-F438 AromaticContact CZ-CD1 3.89Å; F435-F438 HydrophobicContact CZ-CD1 3.89Å; F435-F438 HydrophobicContact CZ-CE1 4.18Å; F435-F438 WeakPolarHBondContact O-CA 3.36Å; F435-F438 WeakPolarHBondContact O-CB 3.48Å; F435-F438 PolarHBondContact O-N 3.12Å; F438-N440 VanDerWaalsContact C-N 3.32Å; F438-N440 PolarHBondContact O-N 3.42Å; F438-V442 HydrophobicContact CD2-CB 3.9Å; F438-V442 HydrophobicContact CD2-CG1 4.11Å; F438-V442 HydrophobicContact CD2-CG2 4.18Å; F438-V442 HydrophobicContact CE2-CB 4.07Å; F438-V442 HydrophobicContact CE2-CG1 3.78Å; F438-V442 HydrophobicContact CG-CB 4.5Å; F438-V442 HydrophobicContact CZ-CG1 4.46Å; F438-V442 WeakPolarHBondContact O-CA 3.32Å; F438-V442 WeakPolarHBondContact O-CB 3.45Å; F438-V442 PolarHBondContact O-N 3.47Å; F438-A443 HydrophobicContact CD1-CB 4.2Å; F438-A443 HydrophobicContact CE1-CB 3.68Å; F438-A443 HydrophobicContact CZ-CB 4.08Å; F438-A443 PolarHBondContact O-N 2.81Å
439	M	98.7	Very high	97.8	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.02	29%	0.286	C	S	.	.	I	π-helix	trans	-65.3	-32.7	178.8	-67.9	-53.9	-56.2	0	0	113.3	F288 W290 Y401 F435 K436 W437 A443 W444 L446 P447	F288-M439 HydrophobicContact CZ-SD 4.23Å; W290-M439 HydrophobicContact CH2-CE 4.32Å; W290-M439 HydrophobicContact CH2-SD 4.46Å; W290-M439 HydrophobicContact CZ2-CE 4.07Å; Y401-M439 HydrophobicContact CD1-CG 4.2Å; Y401-M439 HydrophobicContact CE1-CB 4.33Å; Y401-M439 HydrophobicContact CE1-CG 3.92Å; F435-M439 HydrophobicContact CD1-CG 3.74Å; F435-M439 HydrophobicContact CD1-SD 4.38Å; F435-M439 HydrophobicContact CE1-CG 3.57Å; F435-M439 HydrophobicContact CE1-SD 3.61Å; F435-M439 HydrophobicContact CZ-CG 4.32Å; F435-M439 HydrophobicContact CZ-SD 3.91Å; F435-M439 WeakPolarHBondContact O-CG 3.02Å; F435-M439 PolarHBondContact O-N 3.09Å; K436-M439 PolarHBondContact O-N 3.35Å; W437-M439 PolarHBondContact O-N 2.65Å; M439-A443 HydrophobicContact CE-CB 4.44Å; M439-A443 CarbonylContact O-C 3.53Å; M439-A443 VanDerWaalsContact O-C 3.25Å; M439-A443 HydrophobicContact SD-CB 4.25Å; M439-W444 WeakPolarHBondContact O-CA 3.41Å; M439-W444 PolarHBondContact O-N 3.02Å; M439-W444 VanDerWaalsContact O-N 3.08Å; M439-L446 HydrophobicContact CE-CB 4.4Å; M439-L446 HydrophobicContact CE-CD2 4.13Å; M439-P447 HydrophobicContact CE-CG 3.91Å
440	N	98.4	Very high	97.7	Very high	87 Å²	87	54.9 Å²	54.9	47%	0.465	26%	0.261	S	S	.	.	I	π-helix	trans	-87.6	-32.6	-176.9	-72.5	-6.4	0	0	0	114	K436 W437 F438 W444	K436-N440 WeakPolarHBondContact O-CB 3.29Å; K436-N440 VanDerWaalsContact O-CG 3.23Å; K436-N440 PolarHBondContact O-N 3.08Å; W437-N440 PolarHBondContact O-N 2.92Å; F438-N440 VanDerWaalsContact C-N 3.32Å; F438-N440 PolarHBondContact O-N 3.42Å; N440-W444 WeakPolarHBondContact O-CB 3.43Å
441	E	98.3	Very high	97.5	Very high	124 Å²	124	53.4 Å²	53.4	58%	0.579	25%	0.254	S	S	*	.	I	π-helix	trans	-106.6	-34.9	-172.5	-57.8	-59.7	142.6	0	0	112.5	W437	W437-E441 HydrophobicContact CD2-CB 4.4Å; W437-E441 HydrophobicContact CD2-CG 4.35Å; W437-E441 HydrophobicContact CG-CG 4.14Å; W437-E441 HydrophobicContact CZ2-CB 4.23Å; W437-E441 WeakPolarHBondContact O-CB 3.27Å; W437-E441 WeakPolarHBondContact O-CG 3.46Å; W437-E441 PolarHBondContact O-N 3.2Å
442	V	98.6	Very high	97.3	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.042	22%	0.224	C	C	.	.	I	π-helix	trans	-100.7	-50.6	-175.4	-177.6	0	0	0	0	111.4	R285 P315 W354 W437 F438	R285-V442 PolarHBondContact NH2-O 2.99Å; P315-V442 HydrophobicContact CB-CG1 4.1Å; P315-V442 HydrophobicContact CG-CG1 4.36Å; W354-V442 HydrophobicContact CB-CG2 4.3Å; W354-V442 HydrophobicContact CD2-CB 4.36Å; W354-V442 HydrophobicContact CD2-CG1 3.56Å; W354-V442 HydrophobicContact CD2-CG2 3.83Å; W354-V442 VanDerWaalsContact CE2-CG1 3.48Å; W354-V442 HydrophobicContact CE3-CG1 4.08Å; W354-V442 HydrophobicContact CE3-CG2 3.64Å; W354-V442 HydrophobicContact CG-CG1 3.84Å; W354-V442 HydrophobicContact CG-CG2 4.14Å; W354-V442 HydrophobicContact CH2-CG1 4.39Å; W354-V442 HydrophobicContact CZ2-CG1 3.94Å; W354-V442 HydrophobicContact CZ3-CG1 4.46Å; W354-V442 HydrophobicContact CZ3-CG2 4.2Å; W437-V442 HydrophobicContact CH2-CG2 3.78Å; W437-V442 HydrophobicContact CZ3-CG2 3.82Å; F438-V442 HydrophobicContact CD2-CB 3.9Å; F438-V442 HydrophobicContact CD2-CG1 4.11Å; F438-V442 HydrophobicContact CD2-CG2 4.18Å; F438-V442 HydrophobicContact CE2-CB 4.07Å; F438-V442 HydrophobicContact CE2-CG1 3.78Å; F438-V442 HydrophobicContact CG-CB 4.5Å; F438-V442 HydrophobicContact CZ-CG1 4.46Å; F438-V442 WeakPolarHBondContact O-CA 3.32Å; F438-V442 WeakPolarHBondContact O-CB 3.45Å; F438-V442 PolarHBondContact O-N 3.47Å
443	A	98.5	Very high	97	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-109.9	30.5	-172.1	0	0	0	0	0	113.4	P315 F438 M439 D445 L446 P447	P315-A443 HydrophobicContact CB-CB 4Å; P315-A443 HydrophobicContact CG-CB 4.28Å; F438-A443 HydrophobicContact CD1-CB 4.2Å; F438-A443 HydrophobicContact CE1-CB 3.68Å; F438-A443 HydrophobicContact CZ-CB 4.08Å; F438-A443 PolarHBondContact O-N 2.81Å; M439-A443 HydrophobicContact CE-CB 4.44Å; M439-A443 CarbonylContact O-C 3.53Å; M439-A443 VanDerWaalsContact O-C 3.25Å; M439-A443 HydrophobicContact SD-CB 4.25Å; A443-D445 PolarHBondContact O-N 2.78Å; A443-D445 VanDerWaalsContact O-N 3.15Å; A443-L446 HydrophobicContact CB-CB 4.24Å; A443-L446 VanDerWaalsContact O-CB 3.26Å; A443-L446 WeakPolarHBondContact O-CB 3.34Å; A443-L446 PolarHBondContact O-N 3.38Å; A443-P447 VanDerWaalsContact O-CD 3.29Å; A443-P447 WeakPolarHBondContact O-CD 3.4Å
444	W	98.1	Very high	96.7	Very high	80 Å²	80	50.7 Å²	50.7	30%	0.303	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.4	-176	63.4	-94.3	0	0	0	114.2	P300 L303 M439 N440	P300-W444 HydrophobicContact CB-CH2 3.85Å; P300-W444 HydrophobicContact CB-CZ2 4.07Å; P300-W444 HydrophobicContact CG-CH2 4.03Å; P300-W444 HydrophobicContact CG-CZ2 3.98Å; L303-W444 HydrophobicContact CD1-CZ2 4.03Å; L303-W444 HydrophobicContact CG-CZ2 4.19Å; M439-W444 WeakPolarHBondContact O-CA 3.41Å; M439-W444 PolarHBondContact O-N 3.02Å; M439-W444 VanDerWaalsContact O-N 3.08Å; N440-W444 WeakPolarHBondContact O-CB 3.43Å
445	D	97.3	Very high	96.4	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.011	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-19.9	175.7	55.6	-27.6	0	0	0	112.8	R285 I297 P300 A443 K448 H449	R285-D445 IonicContact CZ-OD1 3.2Å; R285-D445 IonicContact CZ-OD2 3.1Å; R285-D445 IonicContact NE-OD1 2.98Å; R285-D445 IonicContact NE-OD2 3.95Å; R285-D445 PolarHBondContact NE-OD2 3.46Å; R285-D445 IonicContact NH2-OD1 2.61Å; R285-D445 PolarHBondContact NH2-OD1 3.25Å; R285-D445 IonicContact NH2-OD2 2.81Å; R285-D445 PolarHBondContact NH2-OD2 2.83Å; I297-D445 HydrophobicContact CD1-CB 4.43Å; P300-D445 WeakPolarHBondContact CD-OD2 3.46Å; P300-D445 HydrophobicContact CG-CB 3.81Å; P300-D445 VanDerWaalsContact CG-OD2 3.31Å; P300-D445 WeakPolarHBondContact CG-OD2 3.3Å; A443-D445 PolarHBondContact O-N 2.78Å; A443-D445 VanDerWaalsContact O-N 3.15Å; D445-K448 WeakPolarHBondContact O-CB 3.46Å; D445-K448 PolarHBondContact O-N 3.02Å; D445-H449 PolarHBondContact O-CD2 2.87Å
446	L	97.6	Very high	96.2	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-58.4	-50.5	179.1	-175.7	164.3	0	0	0	111.9	A287 F288 W290 M439 A443 K448 H449 Y450	A287-L446 HydrophobicContact CB-CD1 4.09Å; A287-L446 HydrophobicContact CB-CG 4.3Å; F288-L446 HydrophobicContact CD1-CD1 3.68Å; F288-L446 HydrophobicContact CD2-CD1 4.1Å; F288-L446 HydrophobicContact CE1-CD1 3.51Å; F288-L446 HydrophobicContact CE2-CD1 3.95Å; F288-L446 HydrophobicContact CG-CD1 3.97Å; F288-L446 HydrophobicContact CZ-CD1 3.64Å; W290-L446 HydrophobicContact CZ2-CD2 4.41Å; M439-L446 HydrophobicContact CE-CB 4.4Å; M439-L446 HydrophobicContact CE-CD2 4.13Å; A443-L446 HydrophobicContact CB-CB 4.24Å; A443-L446 VanDerWaalsContact O-CB 3.26Å; A443-L446 WeakPolarHBondContact O-CB 3.34Å; A443-L446 PolarHBondContact O-N 3.38Å; L446-K448 PolarHBondContact O-N 2.82Å; L446-K448 VanDerWaalsContact O-N 3.09Å; L446-H449 CarbonylContact O-C 3.08Å; L446-H449 PolarHBondContact O-N 3.14Å; L446-Y450 PolarHBondContact O-N 2.89Å
447	P	96.7	Very high	96	Very high	42 Å²	42	49.4 Å²	49.4	27%	0.273	25%	0.252	S	S	.	.	H	α-helix	trans	-60.6	-21.6	179.8	-26.8	36.7	0	0	0	115	M439 A443 H449 P451	M439-P447 HydrophobicContact CE-CG 3.91Å; A443-P447 VanDerWaalsContact O-CD 3.29Å; A443-P447 WeakPolarHBondContact O-CD 3.4Å; P447-H449 VanDerWaalsContact C-N 3.25Å; P447-H449 PolarHBondContact O-N 3.08Å; P447-P451 VanDerWaalsContact O-CA 3.27Å; P447-P451 WeakPolarHBondContact O-CA 3.5Å; P447-P451 WeakPolarHBondContact O-CB 3.45Å; P447-P451 WeakPolarHBondContact O-CD 3.33Å
448	K	93.8	Very high	95.9	Very high	127 Å²	127	46.2 Å²	46.2	55%	0.552	24%	0.24	S	C	*	.	H	α-helix	trans	-67.7	-32	174.3	-56.8	-177.6	175.7	-169.5	0	111.6	D445 L446	D445-K448 WeakPolarHBondContact O-CB 3.46Å; D445-K448 PolarHBondContact O-N 3.02Å; L446-K448 PolarHBondContact O-N 2.82Å; L446-K448 VanDerWaalsContact O-N 3.09Å
449	H	92.8	Very high	95.9	Very high	56 Å²	56	46.2 Å²	46.2	26%	0.259	24%	0.24	S	C	.	.	H	α-helix	trans	-97.4	-35.6	177.9	-65.5	-78.5	0	0	0	112.1	I297 D445 L446 P447 R508	I297-H449 HydrophobicContact CG2-CB 3.85Å; D445-H449 PolarHBondContact O-CD2 2.87Å; L446-H449 CarbonylContact O-C 3.08Å; L446-H449 PolarHBondContact O-N 3.14Å; P447-H449 VanDerWaalsContact C-N 3.25Å; P447-H449 PolarHBondContact O-N 3.08Å; H449-R508 PolarHBondContact O-NH1 3.02Å; H449-R508 PolarHBondContact O-NH2 3.35Å
450	Y	94.5	Very high	95.7	Very high	55 Å²	55	49.7 Å²	49.7	22%	0.216	25%	0.253	C	S	.	.	S	Bend	trans	-138.3	78.9	-177.5	-58.4	-78.2	0	0	0	108.5	D289 W290 K295 I297 L446	D289-Y450 HydrophobicContact CB-CD1 3.67Å; D289-Y450 HydrophobicContact CB-CE1 4.13Å; D289-Y450 HydrophobicContact CB-CG 4.1Å; W290-Y450 PolarHBondContact NE1-O 3.37Å; K295-Y450 HydrophobicContact CB-CE2 3.74Å; K295-Y450 HydrophobicContact CD-CE1 4.27Å; K295-Y450 HydrophobicContact CD-CE2 4.33Å; K295-Y450 WeakPolarHBondContact CD-OH 3.43Å; K295-Y450 HydrophobicContact CG-CD2 4.31Å; K295-Y450 HydrophobicContact CG-CE1 4.21Å; K295-Y450 HydrophobicContact CG-CE2 3.64Å; I297-Y450 HydrophobicContact CG2-CE2 3.93Å; L446-Y450 PolarHBondContact O-N 2.89Å
451	P	95.2	Very high	95.5	Very high	15 Å²	15	45.8 Å²	45.8	10%	0.097	23%	0.233	C	C	.	.			trans	-66.2	139.7	-175.9	27	-34.4	0	0	0	110.7	R408 P447 V453 E454 W507	R408-P451 PolarHBondContact NH2-O 2.9Å; P447-P451 VanDerWaalsContact O-CA 3.27Å; P447-P451 WeakPolarHBondContact O-CA 3.5Å; P447-P451 WeakPolarHBondContact O-CB 3.45Å; P447-P451 WeakPolarHBondContact O-CD 3.33Å; P451-V453 WeakPolarHBondContact CB-O 3.47Å; P451-V453 PolarHBondContact O-N 2.84Å; P451-E454 HydrophobicContact CG-CG 4.28Å; P451-W507 VanDerWaalsContact CD-CH2 3.42Å; P451-W507 VanDerWaalsContact CD-CZ2 3.43Å; P451-W507 HydrophobicContact CG-CH2 3.79Å; P451-W507 HydrophobicContact CG-CZ2 3.63Å
452	P	93.9	Very high	95.2	Very high	21 Å²	21	41 Å²	41	14%	0.136	21%	0.211	C	C	.	.	S	Bend	trans	-54.3	-42.3	176.2	-19.5	24.7	0	0	0	112.5	W290 Y404 R408	W290-P452 HydrophobicContact CZ2-CB 4.01Å; W290-P452 HydrophobicContact CZ2-CG 3.62Å; W290-P452 VanDerWaalsContact NE1-CA 3.27Å; Y404-P452 HydrophobicContact CD1-CB 3.7Å; Y404-P452 HydrophobicContact CD2-CB 3.62Å; Y404-P452 HydrophobicContact CE1-CB 3.69Å; Y404-P452 HydrophobicContact CE2-CB 3.62Å; Y404-P452 HydrophobicContact CE2-CG 4.39Å; Y404-P452 HydrophobicContact CG-CB 3.66Å; R408-P452 PolarHBondContact NH1-O 3.21Å; R408-P452 PolarHBondContact NH2-O 2.77Å
453	V	92.8	Very high	95.1	Very high	99 Å²	99	40.8 Å²	40.8	60%	0.6	21%	0.209	S	C	*	.	S	Bend	trans	-114.8	116.8	171.1	-177.3	0	0	0	0	108.1	Y404 P451	Y404-V453 HydrophobicContact CD1-CG2 4.33Å; Y404-V453 HydrophobicContact CE1-CG2 3.68Å; P451-V453 WeakPolarHBondContact CB-O 3.47Å; P451-V453 PolarHBondContact O-N 2.84Å
454	E	91.3	Very high	95.1	Very high	93 Å²	93	45.7 Å²	45.7	44%	0.435	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-71.5	136.7	-178.9	-60.9	-164.1	-167.4	0	0	111.2	R408 P451 W507	R408-E454 IonicContact NH2-OE1 3.86Å; P451-E454 HydrophobicContact CG-CG 4.28Å; E454-W507 PolarHBondContact OE2-NE1 3.44Å
455	P	93	Very high	95.1	Very high	62 Å²	62	41.9 Å²	41.9	40%	0.403	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-59.7	153.6	171.4	-18.5	28.3	0	0	0	111.6	W507	P455-W507 HydrophobicContact CB-CB 3.74Å; P455-W507 HydrophobicContact CB-CG 4.19Å; P455-W507 HydrophobicContact CG-CB 4.08Å; P455-W507 HydrophobicContact CG-CD2 4.14Å; P455-W507 HydrophobicContact CG-CE3 4.24Å; P455-W507 HydrophobicContact CG-CG 4.09Å
456	P	93.7	Very high	95.1	Very high	81 Å²	81	44.5 Å²	44.5	53%	0.526	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-63	148.2	-178.3	26.5	-34.7	0	0	0	112.1	V596	P456-V596 HydrophobicContact CG-CG2 4.13Å
457	A	95.6	Very high	95	Very high	14 Å²	14	47.5 Å²	47.5	12%	0.116	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-66.4	151.9	172.9	0	0	0	0	0	112	W460 T504 P516	A457-W460 HydrophobicContact CB-CE3 4.48Å; A457-T504 HydrophobicContact CB-CG2 3.66Å; A457-P516 HydrophobicContact CB-CB 4.22Å; A457-P516 HydrophobicContact CB-CG 4.25Å
458	A	97	Very high	95.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-82.1	-36.2	179.6	0	0	0	0	0	112.4	F505 N593 V596 L597 F600	A458-F505 HydrophobicContact CB-CD1 3.59Å; A458-F505 HydrophobicContact CB-CE1 4.01Å; A458-F505 HydrophobicContact CB-CG 4.15Å; A458-F505 PolarHBondContact N-O 2.87Å; A458-N593 PolarHBondContact O-N 3.4Å; A458-V596 HydrophobicContact CB-CB 4.25Å; A458-V596 HydrophobicContact CB-CG1 3.66Å; A458-L597 HydrophobicContact CB-CD2 3.82Å; A458-L597 HydrophobicContact CB-CG 4.15Å; A458-F600 HydrophobicContact CB-CD2 3.97Å; A458-F600 HydrophobicContact CB-CE2 3.69Å
459	A	97.3	Very high	95.1	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	152.4	175.8	0	0	0	0	0	110.6	F505 F589 R591 T592	A459-F505 HydrophobicContact CB-CB 4.16Å; A459-F505 PolarHBondContact O-N 3.4Å; A459-F589 HydrophobicContact CB-CB 3.83Å; A459-F589 HydrophobicContact CB-CD1 3.58Å; A459-F589 HydrophobicContact CB-CD2 3.89Å; A459-F589 HydrophobicContact CB-CE1 4.05Å; A459-F589 HydrophobicContact CB-CE2 4.33Å; A459-F589 HydrophobicContact CB-CG 3.49Å; A459-F589 VanDerWaalsContact CB-CG 3.49Å; A459-F589 HydrophobicContact CB-CZ 4.41Å; A459-R591 CarbonylContact C-O 3.4Å; A459-R591 WeakPolarHBondContact CA-O 3.35Å; A459-R591 WeakPolarHBondContact CB-O 3.47Å; A459-T592 HydrophobicContact CB-CG2 4.01Å
460	W	95.9	Very high	95.3	Very high	77 Å²	77	41.5 Å²	41.5	29%	0.292	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	166.4	177.3	70.4	102.2	0	0	0	113.6	A457 F503 T504 P516 R591	A457-W460 HydrophobicContact CB-CE3 4.48Å; W460-F503 CarbonylContact C-O 3.58Å; W460-F503 WeakPolarHBondContact CA-O 3.47Å; W460-T504 HydrophobicContact CB-CG2 4.45Å; W460-P516 HydrophobicContact CB-CG 3.54Å; W460-P516 HydrophobicContact CD2-CG 3.79Å; W460-P516 HydrophobicContact CE3-CG 4.43Å; W460-P516 HydrophobicContact CG-CG 3.35Å; W460-R591 HydrophobicContact CD2-CB 3.85Å; W460-R591 VanDerWaalsContact CE2-CD 3.42Å; W460-R591 HydrophobicContact CE3-CB 4.12Å; W460-R591 HydrophobicContact CG-CB 4.43Å; W460-R591 HydrophobicContact CH2-CB 4.04Å; W460-R591 HydrophobicContact CZ2-CB 3.79Å; W460-R591 HydrophobicContact CZ2-CG 4.28Å; W460-R591 HydrophobicContact CZ3-CB 4.2Å; W460-R591 PolarHBondContact N-O 3.44Å; W460-R591 VanDerWaalsContact NE1-CD 3.33Å; W460-R591 PolarHBondContact O-N 3.19Å
461	G	92.9	Very high	95.4	Very high	5 Å²	5	38.9 Å²	38.9	5%	0.052	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	107.5	-152.5	-179.9	0	0	0	0	0	112.1	F503	G461-F503 PolarHBondContact N-O 2.91Å; G461-F503 PolarHBondContact O-N 2.96Å
462	E	93.4	Very high	95.4	Very high	25 Å²	25	38.1 Å²	38.1	12%	0.117	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	147.4	172	65.8	176.6	-142	0	0	111.3	R464 K490 Q501 F589 E590	E462-R464 IonicContact OE1-CZ 3.21Å; E462-R464 IonicContact OE1-NE 2.9Å; E462-R464 PolarHBondContact OE1-NE 3.34Å; E462-R464 IonicContact OE1-NH2 3.18Å; E462-R464 PolarHBondContact OE1-NH2 3.23Å; E462-K490 WeakPolarHBondContact OE2-CB 3.43Å; E462-Q501 WeakPolarHBondContact CA-O 3.49Å; E462-F589 CarbonylContact O-C 3.54Å; E462-F589 WeakPolarHBondContact O-CA 3.48Å; E462-E590 HydrophobicContact CG-CB 4.15Å; E462-E590 PolarHBondContact O-N 2.84Å
463	V	96.4	Very high	95.4	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	104.7	174.6	-173.9	0	0	0	0	108.3	C471 L472 F503 W587 L588 F589	V463-C471 WeakPolarHBondContact O-CA 3.42Å; V463-L472 HydrophobicContact CB-CB 4.3Å; V463-L472 HydrophobicContact CB-CD1 3.82Å; V463-L472 HydrophobicContact CB-CG 4.11Å; V463-L472 HydrophobicContact CG1-CD1 3.62Å; V463-L472 HydrophobicContact CG1-CG 4.13Å; V463-L472 PolarHBondContact O-N 2.81Å; V463-F503 HydrophobicContact CB-CD2 4.46Å; V463-F503 HydrophobicContact CG2-CB 4.04Å; V463-F503 HydrophobicContact CG2-CD2 3.93Å; V463-F503 HydrophobicContact CG2-CG 4.34Å; V463-W587 HydrophobicContact CG1-CB 4.01Å; V463-W587 HydrophobicContact CG1-CE3 4.1Å; V463-L588 WeakPolarHBondContact CA-O 3.47Å; V463-F589 HydrophobicContact CG1-CE2 4.46Å; V463-F589 HydrophobicContact CG2-CD1 3.65Å; V463-F589 HydrophobicContact CG2-CE1 3.43Å; V463-F589 VanDerWaalsContact CG2-CE1 3.43Å; V463-F589 HydrophobicContact CG2-CE2 4.37Å; V463-F589 HydrophobicContact CG2-CG 4.22Å; V463-F589 HydrophobicContact CG2-CZ 3.82Å
464	R	97.3	Very high	95.3	Very high	103 Å²	103	34 Å²	34	39%	0.389	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.4	-173.6	-171.2	-176.5	-61.9	-147	-1	111.6	E462 W587 L588	E462-R464 IonicContact OE1-CZ 3.21Å; E462-R464 IonicContact OE1-NE 2.9Å; E462-R464 PolarHBondContact OE1-NE 3.34Å; E462-R464 IonicContact OE1-NH2 3.18Å; E462-R464 PolarHBondContact OE1-NH2 3.23Å; R464-W587 CarbonylContact O-C 3.5Å; R464-W587 WeakPolarHBondContact O-CA 3.49Å; R464-L588 PolarHBondContact N-O 3.02Å; R464-L588 PolarHBondContact O-N 3.27Å
465	N	98.2	Very high	95	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.7	172.2	-177.8	-105.4	0	0	0	111.2	A467 S468 G469 L470 L485 S566 S584 W587	N465-A467 PolarHBondContact OD1-N 3.49Å; N465-S468 PolarHBondContact OD1-N 3.16Å; N465-S468 PolarHBondContact OD1-OG 3.19Å; N465-G469 VanDerWaalsContact O-CA 3.28Å; N465-G469 WeakPolarHBondContact O-CA 3.42Å; N465-G469 PolarHBondContact O-N 3.5Å; N465-L470 PolarHBondContact N-O 2.87Å; N465-L485 HydrophobicContact CB-CD2 4.25Å; N465-S566 PolarHBondContact ND2-OG 2.86Å; N465-S584 PolarHBondContact ND2-O 2.86Å; N465-W587 HydrophobicContact CB-CE3 3.93Å; N465-W587 HydrophobicContact CB-CH2 4.1Å; N465-W587 HydrophobicContact CB-CZ3 3.58Å
466	V	97.8	Very high	94.6	Very high	57 Å²	57	39 Å²	39	35%	0.345	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-41.2	-176.9	175.6	0	0	0	0	112.5	P583 Q586 L588	V466-P583 HydrophobicContact CG1-CB 4.35Å; V466-Q586 HydrophobicContact CB-CB 3.88Å; V466-Q586 HydrophobicContact CG2-CB 3.62Å; V466-Q586 WeakPolarHBondContact CG2-O 3.25Å; V466-Q586 PolarHBondContact N-O 3.01Å; V466-L588 HydrophobicContact CG2-CD1 3.95Å; V466-L588 HydrophobicContact CG2-CG 3.87Å
467	A	96.7	Very high	94.4	Very high	64 Å²	64	38.5 Å²	38.5	53%	0.529	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-47.9	-178.9	0	0	0	0	0	113.2	N465 P583	N465-A467 PolarHBondContact OD1-N 3.49Å; A467-P583 HydrophobicContact CB-CB 3.93Å; A467-P583 PolarHBondContact N-O 3.27Å
468	S	96.8	Very high	94	Very high	40 Å²	40	42.2 Å²	42.2	28%	0.28	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-20.1	-170.8	62.2	0	0	0	0	114.2	N465 L470	N465-S468 PolarHBondContact OD1-N 3.16Å; N465-S468 PolarHBondContact OD1-OG 3.19Å; S468-L470 PolarHBondContact O-N 3.4Å; S468-L470 PolarHBondContact OG-N 3.07Å
469	G	95.7	Very high	93.6	Very high	35 Å²	35	44.6 Å²	44.6	36%	0.361	24%	0.24	S	C	.	.			trans	69.3	2.3	-170.1	0	0	0	0	0	114.5	N465 C488	N465-G469 VanDerWaalsContact O-CA 3.28Å; N465-G469 WeakPolarHBondContact O-CA 3.42Å; N465-G469 PolarHBondContact O-N 3.5Å; G469-C488 PolarHBondContact O-SG 2.91Å; G469-C488 VanDerWaalsContact O-SG 3.36Å
470	L	96.3	Very high	93.3	Very high	23 Å²	23	47 Å²	47	12%	0.12	26%	0.264	C	S	.	.			trans	-79.3	158.6	176.7	-62	177.4	0	0	0	111.2	N465 S468 L485 N487	N465-L470 PolarHBondContact N-O 2.87Å; S468-L470 PolarHBondContact O-N 3.4Å; S468-L470 PolarHBondContact OG-N 3.07Å; L470-L485 HydrophobicContact CB-CB 4.02Å; L470-L485 HydrophobicContact CB-CD1 4.45Å; L470-L485 HydrophobicContact CB-CD2 4.16Å; L470-L485 HydrophobicContact CB-CG 4.46Å; L470-L485 HydrophobicContact CD1-CB 3.9Å; L470-L485 HydrophobicContact CD1-CD1 4.29Å; L470-N487 WeakPolarHBondContact CD2-OD1 3.36Å
471	C	95.4	Very high	93.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	150	179.7	-75.2	0	0	0	0	111.3	V463 L485 E486 C488	V463-C471 WeakPolarHBondContact O-CA 3.42Å; C471-L485 WeakPolarHBondContact O-CA 3.22Å; C471-E486 PolarHBondContact N-O 2.71Å; C471-E486 PolarHBondContact O-N 3.08Å; C471-C488 HydrophobicContact CB-CB 3.99Å; C471-C488 WeakPolarHBondContact CB-SG 3.34Å; C471-C488 PolarHBondContact N-SG 2.93Å; C471-C488 VanDerWaalsContact N-SG 3.38Å; C471-C488 WeakPolarHBondContact SG-CB 3.26Å; C471-C488 CovalentContact SG-SG 2.04Å; C471-C488 PolarHBondContact SG-SG 2.74Å
472	L	96.1	Very high	93.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	139.5	167.2	-65.6	-177.3	0	0	0	109.8	V463 I483 R484 L485 Q501 F503 F524 V573 W587	V463-L472 HydrophobicContact CB-CB 4.3Å; V463-L472 HydrophobicContact CB-CD1 3.82Å; V463-L472 HydrophobicContact CB-CG 4.11Å; V463-L472 HydrophobicContact CG1-CD1 3.62Å; V463-L472 HydrophobicContact CG1-CG 4.13Å; V463-L472 PolarHBondContact O-N 2.81Å; L472-I483 HydrophobicContact CB-CG2 4.25Å; L472-I483 HydrophobicContact CD2-CG2 3.97Å; L472-R484 CarbonylContact C-O 3.49Å; L472-R484 WeakPolarHBondContact CA-O 3.44Å; L472-L485 HydrophobicContact CD2-CD2 4.2Å; L472-Q501 WeakPolarHBondContact O-CA 3.31Å; L472-Q501 WeakPolarHBondContact O-CG 3.44Å; L472-F503 HydrophobicContact CB-CD2 4.33Å; L472-F503 HydrophobicContact CB-CE2 3.6Å; L472-F503 HydrophobicContact CB-CZ 4.05Å; L472-F503 WeakPolarHBondContact O-CE2 3.44Å; L472-F524 HydrophobicContact CD1-CE2 4.03Å; L472-F524 HydrophobicContact CD1-CZ 3.91Å; L472-V573 HydrophobicContact CD2-CB 4.45Å; L472-V573 HydrophobicContact CD2-CG1 4.11Å; L472-V573 HydrophobicContact CD2-CG2 3.57Å; L472-W587 HydrophobicContact CD1-CE3 4.25Å; L472-W587 HydrophobicContact CD1-CZ3 4.24Å; L472-W587 HydrophobicContact CD2-CE3 4.16Å; L472-W587 HydrophobicContact CD2-CH2 3.64Å; L472-W587 HydrophobicContact CD2-CZ3 3.34Å; L472-W587 HydrophobicContact CG-CE3 4.05Å; L472-W587 HydrophobicContact CG-CH2 4.41Å; L472-W587 HydrophobicContact CG-CZ3 3.66Å
473	E	92.9	Very high	93.2	Very high	30 Å²	30	45.2 Å²	45.2	14%	0.14	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	144.5	173.4	-171.7	161.5	20.1	0	0	111.6	R484 E486 G500 Q501	E473-R484 PolarHBondContact N-O 3.32Å; E473-R484 PolarHBondContact O-N 3.44Å; E473-E486 HydrophobicContact CB-CB 3.96Å; E473-E486 HydrophobicContact CB-CG 3.98Å; E473-E486 WeakPolarHBondContact OE1-CB 3.11Å; E473-E486 WeakPolarHBondContact OE1-CG 3.44Å; E473-G500 CarbonylContact C-O 3.47Å; E473-G500 VanDerWaalsContact CA-O 3.31Å; E473-G500 WeakPolarHBondContact CA-O 3.38Å; E473-Q501 HydrophobicContact CB-CG 3.71Å; E473-Q501 HydrophobicContact CG-CG 3.69Å; E473-Q501 PolarHBondContact OE1-NE2 3.34Å
474	S	90.8	Very high	93.1	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.014	29%	0.287	C	S	.	.			trans	-121.2	130.2	158.8	-171.5	0	0	0	0	111.2	H476 F477 G500 L535	S474-H476 PolarHBondContact OG-O 2.89Å; S474-F477 VanDerWaalsContact O-CE1 3.31Å; S474-F477 WeakPolarHBondContact O-CE1 3.29Å; S474-G500 PolarHBondContact N-O 2.85Å; S474-G500 WeakPolarHBondContact O-CA 3.31Å; S474-L535 WeakPolarHBondContact OG-CD1 3.32Å
475	K	85.8	Confident	93	Very high	134 Å²	134	46.4 Å²	46.4	58%	0.583	27%	0.268	S	S	*	.	S	Bend	trans	-81.7	-24	177.8	-67	-176.5	-178.7	175	0	113.3	E486	K475-E486 IonicContact NZ-OE1 3.52Å; K475-E486 PolarHBondContact NZ-OE1 2.76Å
476	H	85.4	Confident	92.8	Very high	128 Å²	128	48 Å²	48	59%	0.593	28%	0.276	S	S	*	.			trans	-127.9	141.4	-178.4	-57.7	-59.1	0	0	0	109.6	S474 V478 S481	S474-H476 PolarHBondContact OG-O 2.89Å; H476-V478 HydrophobicContact CB-CG2 4.3Å; H476-S481 WeakPolarHBondContact CB-OG 3.48Å; H476-S481 VanDerWaalsContact O-CB 3.25Å; H476-S481 WeakPolarHBondContact O-CB 3.39Å; H476-S481 PolarHBondContact O-OG 3.5Å
477	F	88.1	Confident	92.6	Very high	70 Å²	70	50 Å²	50	31%	0.307	29%	0.285	S	S	.	.			trans	-108.8	44.9	-175.5	-48	-39.1	0	0	0	110.9	S474 S498 V513 V522	S474-F477 VanDerWaalsContact O-CE1 3.31Å; S474-F477 WeakPolarHBondContact O-CE1 3.29Å; F477-S498 WeakPolarHBondContact CZ-O 3.42Å; F477-V513 HydrophobicContact CD1-CG1 3.96Å; F477-V513 HydrophobicContact CD1-CG2 4.37Å; F477-V513 HydrophobicContact CE1-CG1 3.8Å; F477-V513 HydrophobicContact CZ-CG1 4.31Å; F477-V522 HydrophobicContact CB-CG2 4.39Å
478	V	88.4	Confident	92.3	Very high	92 Å²	92	48.7 Å²	48.7	56%	0.558	27%	0.271	S	S	*	.	S	Bend	trans	-124.1	157.1	-179.3	-60.8	0	0	0	0	110.5	H476 G480 S481	H476-V478 HydrophobicContact CB-CG2 4.3Å; V478-G480 PolarHBondContact O-N 2.04Å; V478-S481 VanDerWaalsContact CG2-OG 3.3Å; V478-S481 WeakPolarHBondContact CG2-OG 3.04Å; V478-S481 PolarHBondContact N-OG 2.79Å; V478-S481 WeakPolarHBondContact O-CB 3.49Å; V478-S481 PolarHBondContact O-N 2.76Å; V478-S481 VanDerWaalsContact O-N 3.08Å; V478-S481 PolarHBondContact O-OG 3.47Å
479	S	88.6	Confident	91.6	Very high	49 Å²	49	48.1 Å²	48.1	34%	0.343	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	135.7	177.1	-167.3	0	0	0	0	112	L535 Y536	S479-L535 CarbonylContact C-O 3.6Å; S479-L535 WeakPolarHBondContact CA-O 3.45Å; S479-Y536 WeakPolarHBondContact OG-CD2 3.5Å; S479-Y536 WeakPolarHBondContact OG-CE2 3.31Å
480	G	91.2	Very high	90.4	Very high	50 Å²	50	52.7 Å²	52.7	52%	0.515	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-3.1	-173.7	0	0	0	0	0	115.4	V478 L535	V478-G480 PolarHBondContact O-N 2.04Å; G480-L535 PolarHBondContact N-O 3Å
481	S	92.3	Very high	88.3	Confident	7 Å²	7	55.4 Å²	55.4	5%	0.049	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	129.8	-179.8	-59.8	0	0	0	0	111	H476 V478 T534 L535	H476-S481 WeakPolarHBondContact CB-OG 3.48Å; H476-S481 VanDerWaalsContact O-CB 3.25Å; H476-S481 WeakPolarHBondContact O-CB 3.39Å; H476-S481 PolarHBondContact O-OG 3.5Å; V478-S481 VanDerWaalsContact CG2-OG 3.3Å; V478-S481 WeakPolarHBondContact CG2-OG 3.04Å; V478-S481 PolarHBondContact N-OG 2.79Å; V478-S481 WeakPolarHBondContact O-CB 3.49Å; V478-S481 PolarHBondContact O-N 2.76Å; V478-S481 VanDerWaalsContact O-N 3.08Å; V478-S481 PolarHBondContact O-OG 3.47Å; S481-T534 CarbonylContact O-C 3.58Å; S481-T534 WeakPolarHBondContact O-CA 3.16Å; S481-L535 PolarHBondContact O-N 2.04Å
482	P	92	Very high	86.4	Confident	59 Å²	59	64.7 Å²	64.7	38%	0.383	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	148	-179.4	31.6	-35.1	0	0	0	111.8
483	I	94.9	Very high	84.1	Confident	4 Å²	4	72 Å²	72	2%	0.021	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-94	133.2	170.7	-50.2	-173.8	0	0	0	109	L472 F524 V533 L535	L472-I483 HydrophobicContact CB-CG2 4.25Å; L472-I483 HydrophobicContact CD2-CG2 3.97Å; I483-F524 HydrophobicContact CD1-CD1 3.37Å; I483-F524 HydrophobicContact CD1-CD2 3.86Å; I483-F524 HydrophobicContact CD1-CE1 3.17Å; I483-F524 HydrophobicContact CD1-CE2 3.67Å; I483-F524 HydrophobicContact CD1-CG 3.72Å; I483-F524 HydrophobicContact CD1-CZ 3.33Å; I483-F524 HydrophobicContact CG1-CE1 4.5Å; I483-F524 HydrophobicContact CG2-CZ 4.37Å; I483-V533 HydrophobicContact CD1-CB 4.33Å; I483-V533 HydrophobicContact CD1-CG1 3.76Å; I483-V533 WeakPolarHBondContact CG1-O 3.4Å; I483-V533 PolarHBondContact N-O 2.88Å; I483-L535 HydrophobicContact CD1-CD2 4.14Å; I483-L535 HydrophobicContact CG1-CD2 4.49Å; I483-L535 HydrophobicContact CG1-CG 4.44Å
484	R	94.7	Very high	82.1	Confident	129 Å²	129	78 Å²	78	49%	0.487	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	167.4	-175.2	-64.4	-169.9	-178.8	-172.3	0.4	111.7	L472 E473 R571	L472-R484 CarbonylContact C-O 3.49Å; L472-R484 WeakPolarHBondContact CA-O 3.44Å; E473-R484 PolarHBondContact N-O 3.32Å; E473-R484 PolarHBondContact O-N 3.44Å; R484-R571 WeakPolarHBondContact CA-O 3.48Å; R484-R571 WeakPolarHBondContact CB-O 3.17Å
485	L	95.4	Very high	80.2	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.7	168	-70.9	-179.2	0	0	0	110.5	N465 L470 C471 L472 R571 V573 W587	N465-L485 HydrophobicContact CB-CD2 4.25Å; L470-L485 HydrophobicContact CB-CB 4.02Å; L470-L485 HydrophobicContact CB-CD1 4.45Å; L470-L485 HydrophobicContact CB-CD2 4.16Å; L470-L485 HydrophobicContact CB-CG 4.46Å; L470-L485 HydrophobicContact CD1-CB 3.9Å; L470-L485 HydrophobicContact CD1-CD1 4.29Å; C471-L485 WeakPolarHBondContact O-CA 3.22Å; L472-L485 HydrophobicContact CD2-CD2 4.2Å; L485-R571 HydrophobicContact CB-CB 4.44Å; L485-R571 PolarHBondContact N-O 2.68Å; L485-R571 VanDerWaalsContact N-O 3.08Å; L485-R571 WeakPolarHBondContact O-CB 3.24Å; L485-R571 WeakPolarHBondContact O-CD 3.38Å; L485-R571 WeakPolarHBondContact O-CG 3.47Å; L485-V573 HydrophobicContact CD2-CG2 4.22Å; L485-V573 HydrophobicContact CG-CG2 4.01Å; L485-W587 HydrophobicContact CD2-CH2 3.98Å; L485-W587 HydrophobicContact CD2-CZ3 3.9Å
486	E	94.1	Very high	78.7	Confident	34 Å²	34	77.5 Å²	77.5	16%	0.159	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	168.9	177.2	-69.8	-76.4	-164.8	0	0	110.6	C471 E473 K475 C488 R571	C471-E486 PolarHBondContact N-O 2.71Å; C471-E486 PolarHBondContact O-N 3.08Å; E473-E486 HydrophobicContact CB-CB 3.96Å; E473-E486 HydrophobicContact CB-CG 3.98Å; E473-E486 WeakPolarHBondContact OE1-CB 3.11Å; E473-E486 WeakPolarHBondContact OE1-CG 3.44Å; K475-E486 IonicContact NZ-OE1 3.52Å; K475-E486 PolarHBondContact NZ-OE1 2.76Å; E486-C488 PolarHBondContact O-N 2.6Å; E486-R571 IonicContact OE2-CZ 2.67Å; E486-R571 IonicContact OE2-NH1 3.81Å; E486-R571 PolarHBondContact OE2-NH1 3.2Å
487	N	92.5	Very high	77	Confident	100 Å²	100	81.2 Å²	81.2	54%	0.535	44%	0.441	S	S	.	.			trans	-64.8	131.1	178.7	-68.7	-27.4	0	0	0	109.4	L470 V489 Q501	L470-N487 WeakPolarHBondContact CD2-OD1 3.36Å; N487-V489 PolarHBondContact O-N 2.85Å; N487-Q501 PolarHBondContact O-NE2 2.87Å; N487-Q501 PolarHBondContact O-OE1 3.03Å
488	C	90	Very high	75.3	Confident	36 Å²	36	81.3 Å²	81.3	24%	0.243	45%	0.45	C	S	.	.			trans	-60.5	132.1	177.4	-58.8	0	0	0	0	110.8	G469 C471 E486	G469-C488 PolarHBondContact O-SG 2.91Å; G469-C488 VanDerWaalsContact O-SG 3.36Å; C471-C488 HydrophobicContact CB-CB 3.99Å; C471-C488 WeakPolarHBondContact CB-SG 3.34Å; C471-C488 PolarHBondContact N-SG 2.93Å; C471-C488 VanDerWaalsContact N-SG 3.38Å; C471-C488 WeakPolarHBondContact SG-CB 3.26Å; C471-C488 CovalentContact SG-SG 2.04Å; C471-C488 PolarHBondContact SG-SG 2.74Å; E486-C488 PolarHBondContact O-N 2.6Å
489	V	83.9	Confident	74.3	Confident	29 Å²	29	80 Å²	80	18%	0.176	44%	0.438	C	S	.	.			trans	-93.2	-18.5	-167.6	168.6	0	0	0	0	113.7	N487 G491 R492 V495 Q501	N487-V489 PolarHBondContact O-N 2.85Å; V489-G491 PolarHBondContact O-N 2.93Å; V489-R492 PolarHBondContact O-N 3.38Å; V489-V495 HydrophobicContact CG1-CB 3.98Å; V489-V495 HydrophobicContact CG1-CG1 3.49Å; V489-V495 VanDerWaalsContact CG1-CG1 3.49Å; V489-V495 HydrophobicContact CG1-CG2 3.18Å; V489-Q501 VanDerWaalsContact N-OE1 3.09Å
490	K	68.8	Low	74	Confident	131 Å²	131	77.8 Å²	77.8	57%	0.57	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	126.9	-175.7	-163	175.1	-175	172.3	0	112.2	E462 E590	E462-K490 WeakPolarHBondContact OE2-CB 3.43Å; K490-E590 IonicContact NZ-OE1 2.68Å; K490-E590 PolarHBondContact NZ-OE1 2.79Å; K490-E590 IonicContact NZ-OE2 3.2Å; K490-E590 PolarHBondContact NZ-OE2 3.29Å
491	G	54	Low	74	Confident	80 Å²	80	75.8 Å²	75.8	83%	0.825	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.6	-1.5	-177.5	0	0	0	0	0	115.3	V489	V489-G491 PolarHBondContact O-N 2.93Å
492	R	54.9	Low	74	Confident	195 Å²	195	77 Å²	77	74%	0.736	41%	0.408	S	S	*	.			trans	-99.9	138	170.3	-62.2	-174.5	-179.8	-168.4	-1	109.7	V489 D494 V495	V489-R492 PolarHBondContact O-N 3.38Å; R492-D494 PolarHBondContact O-N 2.87Å; R492-V495 HydrophobicContact CB-CG2 4.33Å; R492-V495 WeakPolarHBondContact O-CG2 3.37Å
493	V	47.5	Very low	74.1	Confident	154 Å²	154	74.2 Å²	74.2	93%	0.933	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	1.4	-165	-176.5	0	0	0	0	114
494	D	50.7	Low	74.2	Confident	156 Å²	156	74.2 Å²	74.2	83%	0.834	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.3	34.4	-163.6	-125.8	-5.8	0	0	0	114.7	R492	R492-D494 PolarHBondContact O-N 2.87Å
495	V	52.2	Low	74.3	Confident	60 Å²	60	68 Å²	68	36%	0.364	37%	0.367	S	S	.	.			trans	-109.9	92	-170.5	-171.5	0	0	0	0	109	V489 R492 H499	V489-V495 HydrophobicContact CG1-CB 3.98Å; V489-V495 HydrophobicContact CG1-CG1 3.49Å; V489-V495 VanDerWaalsContact CG1-CG1 3.49Å; V489-V495 HydrophobicContact CG1-CG2 3.18Å; R492-V495 HydrophobicContact CB-CG2 4.33Å; R492-V495 WeakPolarHBondContact O-CG2 3.37Å; V495-H499 HydrophobicContact CG1-CB 3.8Å; V495-H499 WeakPolarHBondContact CG1-CD2 3.46Å
496	S	53.2	Low	74.3	Confident	65 Å²	65	68.5 Å²	68.5	46%	0.455	37%	0.371	S	S	.	.			trans	-61.5	153.3	170.1	73.9	0	0	0	0	111	S498 H499	S496-S498 PolarHBondContact O-N 2.83Å; S496-S498 PolarHBondContact OG-OG 2.82Å; S496-H499 PolarHBondContact O-N 2.63Å; S496-H499 VanDerWaalsContact O-N 3.08Å
497	W	50.4	Low	74.3	Confident	206 Å²	206	69.1 Å²	69.1	78%	0.78	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	0.4	173.3	-57.1	90.5	0	0	0	114.9	D515	W497-D515 HydrophobicContact CE3-CB 4.28Å; W497-D515 HydrophobicContact CZ3-CB 4.48Å
498	S	51.9	Low	74.3	Confident	71 Å²	71	66.1 Å²	66.1	50%	0.497	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	2.3	175.5	74	0	0	0	0	114.3	F477 S496 G500	F477-S498 WeakPolarHBondContact CZ-O 3.42Å; S496-S498 PolarHBondContact O-N 2.83Å; S496-S498 PolarHBondContact OG-OG 2.82Å; S498-G500 PolarHBondContact O-N 3.24Å
499	H	68.1	Low	74.5	Confident	64 Å²	64	65.1 Å²	65.1	30%	0.296	35%	0.345	S	S	.	.			trans	-67.3	131.6	174.4	-98.2	-91.4	0	0	0	111.8	V495 S496 Q501 V502	V495-H499 HydrophobicContact CG1-CB 3.8Å; V495-H499 WeakPolarHBondContact CG1-CD2 3.46Å; S496-H499 PolarHBondContact O-N 2.63Å; S496-H499 VanDerWaalsContact O-N 3.08Å; H499-Q501 PolarHBondContact O-N 2.98Å; H499-V502 PolarHBondContact O-N 2.81Å
500	G	82	Confident	75.1	Confident	4 Å²	4	63.9 Å²	63.9	4%	0.041	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	16	-176.6	0	0	0	0	0	116.5	E473 S474 S498 F503	E473-G500 CarbonylContact C-O 3.47Å; E473-G500 VanDerWaalsContact CA-O 3.31Å; E473-G500 WeakPolarHBondContact CA-O 3.38Å; S474-G500 PolarHBondContact N-O 2.85Å; S474-G500 WeakPolarHBondContact O-CA 3.31Å; S498-G500 PolarHBondContact O-N 3.24Å; G500-F503 VanDerWaalsContact O-CZ 3.31Å; G500-F503 WeakPolarHBondContact O-CZ 3.41Å
501	Q	91.2	Very high	76.5	Confident	8 Å²	8	57.7 Å²	57.7	4%	0.037	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-4	176.2	-63.7	-163.9	-7.9	0	0	113.6	E462 L472 E473 N487 V489 H499 F503	E462-Q501 WeakPolarHBondContact CA-O 3.49Å; L472-Q501 WeakPolarHBondContact O-CA 3.31Å; L472-Q501 WeakPolarHBondContact O-CG 3.44Å; E473-Q501 HydrophobicContact CB-CG 3.71Å; E473-Q501 HydrophobicContact CG-CG 3.69Å; E473-Q501 PolarHBondContact OE1-NE2 3.34Å; N487-Q501 PolarHBondContact O-NE2 2.87Å; N487-Q501 PolarHBondContact O-OE1 3.03Å; V489-Q501 VanDerWaalsContact N-OE1 3.09Å; H499-Q501 PolarHBondContact O-N 2.98Å; Q501-F503 WeakPolarHBondContact O-CD2 3.33Å
502	V	91.8	Very high	78.5	Confident	32 Å²	32	55.5 Å²	55.5	19%	0.194	28%	0.277	C	S	.	.			trans	-92.1	124.2	174.8	-175.6	0	0	0	0	108.8	H499 G514 D515	H499-V502 PolarHBondContact O-N 2.81Å; V502-G514 PolarHBondContact O-N 2.9Å; V502-D515 HydrophobicContact CG1-CB 4.34Å
503	F	95	Very high	80.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	155.4	176.1	-58	-86.9	0	0	0	111.4	W460 G461 V463 L472 G500 Q501 I511 R512 V513 G514 F524	W460-F503 CarbonylContact C-O 3.58Å; W460-F503 WeakPolarHBondContact CA-O 3.47Å; G461-F503 PolarHBondContact N-O 2.91Å; G461-F503 PolarHBondContact O-N 2.96Å; V463-F503 HydrophobicContact CB-CD2 4.46Å; V463-F503 HydrophobicContact CG2-CB 4.04Å; V463-F503 HydrophobicContact CG2-CD2 3.93Å; V463-F503 HydrophobicContact CG2-CG 4.34Å; L472-F503 HydrophobicContact CB-CD2 4.33Å; L472-F503 HydrophobicContact CB-CE2 3.6Å; L472-F503 HydrophobicContact CB-CZ 4.05Å; L472-F503 WeakPolarHBondContact O-CE2 3.44Å; G500-F503 VanDerWaalsContact O-CZ 3.31Å; G500-F503 WeakPolarHBondContact O-CZ 3.41Å; Q501-F503 WeakPolarHBondContact O-CD2 3.33Å; F503-I511 HydrophobicContact CB-CG2 4.16Å; F503-R512 CarbonylContact C-O 3.46Å; F503-R512 WeakPolarHBondContact CA-O 3.43Å; F503-V513 HydrophobicContact CD1-CG2 4.21Å; F503-V513 HydrophobicContact CE1-CG2 3.86Å; F503-G514 CarbonylContact C-O 3.58Å; F503-F524 AromaticContact CD1-CE1 3.52Å; F503-F524 HydrophobicContact CD1-CE1 3.52Å; F503-F524 AromaticContact CD1-CZ 3.95Å; F503-F524 HydrophobicContact CD1-CZ 3.95Å; F503-F524 AromaticContact CE1-CE1 3.52Å; F503-F524 HydrophobicContact CE1-CE1 3.52Å; F503-F524 AromaticContact CE1-CZ 3.93Å; F503-F524 HydrophobicContact CE1-CZ 3.93Å; F503-F524 HydrophobicContact CG-CE1 4.44Å; F503-F524 HydrophobicContact CZ-CE1 4.46Å; F503-F524 HydrophobicContact CZ-CZ 4.49Å
504	T	96.3	Very high	82.2	Confident	4 Å²	4	39.3 Å²	39.3	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.6	174.2	-65.9	0	0	0	0	109.2	A457 W460 G506 I511 R512 G514 D515 P516 T519	A457-T504 HydrophobicContact CB-CG2 3.66Å; W460-T504 HydrophobicContact CB-CG2 4.45Å; T504-G506 PolarHBondContact O-N 2.93Å; T504-I511 WeakPolarHBondContact O-CA 3.4Å; T504-R512 PolarHBondContact N-O 3.2Å; T504-R512 PolarHBondContact O-N 3.2Å; T504-G514 PolarHBondContact OG1-O 3.46Å; T504-D515 VanDerWaalsContact OG1-C 3.25Å; T504-P516 HydrophobicContact CG2-CB 4.15Å; T504-P516 HydrophobicContact CG2-CG 4.01Å; T504-P516 WeakPolarHBondContact OG1-CD 3.41Å; T504-P516 VanDerWaalsContact OG1-N 3.17Å; T504-T519 HydrophobicContact CG2-CG2 4.09Å
505	F	97.6	Very high	84	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	96.8	165.3	-175.6	-152.2	0	0	0	108.5	A458 A459 E509 D510 I511 W547 F589 L597 F600	A458-F505 HydrophobicContact CB-CD1 3.59Å; A458-F505 HydrophobicContact CB-CE1 4.01Å; A458-F505 HydrophobicContact CB-CG 4.15Å; A458-F505 PolarHBondContact N-O 2.87Å; A459-F505 HydrophobicContact CB-CB 4.16Å; A459-F505 PolarHBondContact O-N 3.4Å; F505-E509 HydrophobicContact CE2-CB 4.42Å; F505-D510 CarbonylContact C-O 3.01Å; F505-D510 WeakPolarHBondContact CA-O 3.48Å; F505-D510 WeakPolarHBondContact CD2-O 3.4Å; F505-I511 HydrophobicContact CB-CG1 4.28Å; F505-I511 HydrophobicContact CD2-CG1 3.71Å; F505-I511 HydrophobicContact CE2-CG1 4.41Å; F505-I511 HydrophobicContact CG-CG1 4.24Å; F505-W547 HydrophobicContact CE2-CB 4.06Å; F505-W547 WeakPolarHBondContact CZ-O 3.34Å; F505-F589 HydrophobicContact CB-CE1 4.28Å; F505-F589 HydrophobicContact CB-CZ 4.15Å; F505-L597 HydrophobicContact CD1-CD2 3.93Å; F505-L597 HydrophobicContact CE1-CD2 3.76Å; F505-F600 AromaticContact CE1-CD2 3.88Å; F505-F600 HydrophobicContact CE1-CD2 3.88Å; F505-F600 HydrophobicContact CE1-CE2 4.39Å; F505-F600 HydrophobicContact CE2-CD2 4.43Å; F505-F600 HydrophobicContact CE2-CE2 4.49Å; F505-F600 AromaticContact CZ-CD2 3.71Å; F505-F600 HydrophobicContact CZ-CD2 3.71Å; F505-F600 HydrophobicContact CZ-CE2 4.17Å
506	G	94.3	Very high	85.6	Confident	9 Å²	9	32.2 Å²	32.2	9%	0.093	16%	0.164	C	C	.	.			trans	-81.1	171.9	-166.3	0	0	0	0	0	114.2	T504 R508 E509 D510 F600	T504-G506 PolarHBondContact O-N 2.93Å; G506-R508 PolarHBondContact O-N 3.41Å; G506-R508 VanDerWaalsContact O-N 3.09Å; G506-E509 PolarHBondContact O-N 3.07Å; G506-D510 PolarHBondContact N-O 2.89Å; G506-F600 WeakPolarHBondContact O-CE2 3.32Å
507	W	93.3	Very high	86.9	Confident	47 Å²	47	37 Å²	37	18%	0.178	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.5	-178.8	63.4	-95	0	0	0	114.3	P451 E454 P455 E509	P451-W507 VanDerWaalsContact CD-CH2 3.42Å; P451-W507 VanDerWaalsContact CD-CZ2 3.43Å; P451-W507 HydrophobicContact CG-CH2 3.79Å; P451-W507 HydrophobicContact CG-CZ2 3.63Å; E454-W507 PolarHBondContact OE2-NE1 3.44Å; P455-W507 HydrophobicContact CB-CB 3.74Å; P455-W507 HydrophobicContact CB-CG 4.19Å; P455-W507 HydrophobicContact CG-CB 4.08Å; P455-W507 HydrophobicContact CG-CD2 4.14Å; P455-W507 HydrophobicContact CG-CE3 4.24Å; P455-W507 HydrophobicContact CG-CG 4.09Å; W507-E509 PolarHBondContact O-N 3.15Å
508	R	93.1	Very high	88.4	Confident	38 Å²	38	33 Å²	33	14%	0.143	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	3.7	175.7	-65	-172.3	-164.7	-95.6	2.1	114	H449 G506 D510	H449-R508 PolarHBondContact O-NH1 3.02Å; H449-R508 PolarHBondContact O-NH2 3.35Å; G506-R508 PolarHBondContact O-N 3.41Å; G506-R508 VanDerWaalsContact O-N 3.09Å; R508-D510 VanDerWaalsContact CB-OD2 3.3Å; R508-D510 WeakPolarHBondContact CB-OD2 3.37Å; R508-D510 PolarHBondContact O-N 2.76Å
509	E	95.5	Very high	90.2	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.065	16%	0.16	C	C	.	.	S	Bend	trans	64.6	29.7	-176.7	-50.7	151.5	-117.9	0	0	111.9	F505 G506 W507 R542 L546 W547 R548 F600	F505-E509 HydrophobicContact CE2-CB 4.42Å; G506-E509 PolarHBondContact O-N 3.07Å; W507-E509 PolarHBondContact O-N 3.15Å; E509-R542 IonicContact OE1-CZ 3.08Å; E509-R542 IonicContact OE1-NE 2.63Å; E509-R542 PolarHBondContact OE1-NE 3.41Å; E509-R542 IonicContact OE1-NH2 2.67Å; E509-R542 PolarHBondContact OE1-NH2 3.38Å; E509-R542 IonicContact OE2-NE 3.2Å; E509-L546 HydrophobicContact CB-CD1 3.67Å; E509-W547 PolarHBondContact O-N 3.39Å; E509-R548 IonicContact OE2-CZ 2.63Å; E509-R548 IonicContact OE2-NH1 2.82Å; E509-R548 PolarHBondContact OE2-NH1 2.97Å; E509-R548 IonicContact OE2-NH2 3.83Å; E509-R548 PolarHBondContact OE2-NH2 2.86Å; E509-F600 HydrophobicContact CB-CE2 4.41Å; E509-F600 HydrophobicContact CG-CD1 4.01Å; E509-F600 HydrophobicContact CG-CD2 3.8Å; E509-F600 HydrophobicContact CG-CE1 3.94Å; E509-F600 HydrophobicContact CG-CE2 3.71Å; E509-F600 HydrophobicContact CG-CG 3.93Å; E509-F600 HydrophobicContact CG-CZ 3.78Å
510	D	96.6	Very high	91.2	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	17%	0.166	C	C	.	.			trans	-114.3	155.9	173.1	63.8	42.4	0	0	0	111	F505 G506 R508 R512 Q545	F505-D510 CarbonylContact C-O 3.01Å; F505-D510 WeakPolarHBondContact CA-O 3.48Å; F505-D510 WeakPolarHBondContact CD2-O 3.4Å; G506-D510 PolarHBondContact N-O 2.89Å; R508-D510 VanDerWaalsContact CB-OD2 3.3Å; R508-D510 WeakPolarHBondContact CB-OD2 3.37Å; R508-D510 PolarHBondContact O-N 2.76Å; D510-R512 IonicContact OD1-CZ 3.43Å; D510-R512 IonicContact OD1-NE 3.02Å; D510-R512 PolarHBondContact OD1-NE 3.12Å; D510-R512 IonicContact OD1-NH2 3.37Å; D510-R512 PolarHBondContact OD1-NH2 3.43Å; D510-R512 IonicContact OD2-CZ 3.69Å; D510-R512 IonicContact OD2-NE 3.19Å; D510-R512 PolarHBondContact OD2-NE 3.1Å; D510-R512 IonicContact OD2-NH2 2.7Å; D510-R512 PolarHBondContact OD2-NH2 3.02Å; D510-Q545 WeakPolarHBondContact CA-O 3.16Å
511	I	97.6	Very high	91.6	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125	178.3	-57.3	172	0	0	0	109.1	F503 T504 F505 C523 F524 W547 L555	F503-I511 HydrophobicContact CB-CG2 4.16Å; T504-I511 WeakPolarHBondContact O-CA 3.4Å; F505-I511 HydrophobicContact CB-CG1 4.28Å; F505-I511 HydrophobicContact CD2-CG1 3.71Å; F505-I511 HydrophobicContact CE2-CG1 4.41Å; F505-I511 HydrophobicContact CG-CG1 4.24Å; I511-C523 CarbonylContact O-C 3.53Å; I511-C523 VanDerWaalsContact O-CA 3.29Å; I511-C523 WeakPolarHBondContact O-CA 3.47Å; I511-F524 HydrophobicContact CB-CB 4.16Å; I511-F524 HydrophobicContact CB-CD1 4Å; I511-F524 HydrophobicContact CB-CD2 4.18Å; I511-F524 HydrophobicContact CB-CE1 4.4Å; I511-F524 HydrophobicContact CB-CG 3.87Å; I511-F524 HydrophobicContact CD1-CD2 4.17Å; I511-F524 HydrophobicContact CD1-CE2 4.45Å; I511-F524 HydrophobicContact CG2-CD1 3.8Å; I511-F524 HydrophobicContact CG2-CD2 4.2Å; I511-F524 HydrophobicContact CG2-CE1 3.7Å; I511-F524 HydrophobicContact CG2-CE2 4.15Å; I511-F524 HydrophobicContact CG2-CG 4.05Å; I511-F524 HydrophobicContact CG2-CZ 3.89Å; I511-F524 PolarHBondContact O-N 3.29Å; I511-W547 HydrophobicContact CD1-CB 3.87Å; I511-W547 HydrophobicContact CD1-CD2 4.19Å; I511-W547 HydrophobicContact CD1-CG 3.79Å; I511-W547 HydrophobicContact CG1-CB 4.09Å; I511-W547 HydrophobicContact CG1-CG 4.05Å; I511-L555 HydrophobicContact CD1-CD1 4.4Å; I511-L555 HydrophobicContact CD1-CD2 3.74Å
512	R	95.2	Very high	91.7	Very high	34 Å²	34	38 Å²	38	13%	0.128	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	156.9	-175.1	-58.5	-179.3	-168.7	-160.3	-8.7	112.1	F503 T504 D510 T519	F503-R512 CarbonylContact C-O 3.46Å; F503-R512 WeakPolarHBondContact CA-O 3.43Å; T504-R512 PolarHBondContact N-O 3.2Å; T504-R512 PolarHBondContact O-N 3.2Å; D510-R512 IonicContact OD1-CZ 3.43Å; D510-R512 IonicContact OD1-NE 3.02Å; D510-R512 PolarHBondContact OD1-NE 3.12Å; D510-R512 IonicContact OD1-NH2 3.37Å; D510-R512 PolarHBondContact OD1-NH2 3.43Å; D510-R512 IonicContact OD2-CZ 3.69Å; D510-R512 IonicContact OD2-NE 3.19Å; D510-R512 PolarHBondContact OD2-NE 3.1Å; D510-R512 IonicContact OD2-NH2 2.7Å; D510-R512 PolarHBondContact OD2-NH2 3.02Å; R512-T519 HydrophobicContact CB-CG2 4.4Å
513	V	92.1	Very high	91.9	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.024	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	139.3	168.6	-175.3	0	0	0	0	110.1	F477 F503 T519 K520 V522 L535	F477-V513 HydrophobicContact CD1-CG1 3.96Å; F477-V513 HydrophobicContact CD1-CG2 4.37Å; F477-V513 HydrophobicContact CE1-CG1 3.8Å; F477-V513 HydrophobicContact CZ-CG1 4.31Å; F503-V513 HydrophobicContact CD1-CG2 4.21Å; F503-V513 HydrophobicContact CE1-CG2 3.86Å; V513-T519 CarbonylContact O-C 3.49Å; V513-T519 WeakPolarHBondContact O-CA 3.42Å; V513-K520 HydrophobicContact CB-CB 4.42Å; V513-K520 HydrophobicContact CB-CG 4.31Å; V513-K520 HydrophobicContact CG1-CG 4.48Å; V513-K520 PolarHBondContact O-N 3.31Å; V513-V522 HydrophobicContact CG2-CG2 4.31Å; V513-L535 HydrophobicContact CG2-CD1 3.7Å; V513-L535 HydrophobicContact CG2-CD2 3.92Å; V513-L535 HydrophobicContact CG2-CG 4.5Å
514	G	89.1	Confident	92	Very high	5 Å²	5	36.5 Å²	36.5	5%	0.052	18%	0.177	C	C	.	.	S	Bend	trans	106.7	166.8	177.2	0	0	0	0	0	113.5	V502 F503 T504	V502-G514 PolarHBondContact O-N 2.9Å; F503-G514 CarbonylContact C-O 3.58Å; T504-G514 PolarHBondContact OG1-O 3.46Å
515	D	87	Confident	92	Very high	17 Å²	17	36.5 Å²	36.5	9%	0.091	18%	0.177	C	C	.	.			trans	-72.5	162.9	174.6	75.1	85.5	0	0	0	111.4	W497 V502 T504 M517 H518 T519	W497-D515 HydrophobicContact CE3-CB 4.28Å; W497-D515 HydrophobicContact CZ3-CB 4.48Å; V502-D515 HydrophobicContact CG1-CB 4.34Å; T504-D515 VanDerWaalsContact OG1-C 3.25Å; D515-M517 PolarHBondContact O-N 2.96Å; D515-M517 WeakPolarHBondContact OD1-CA 3.49Å; D515-M517 WeakPolarHBondContact OD1-CB 3.3Å; D515-M517 PolarHBondContact OD1-N 2.78Å; D515-H518 CarbonylContact O-C 3.53Å; D515-H518 PolarHBondContact O-N 3.02Å; D515-H518 IonicContact OD1-CG 3.78Å; D515-H518 PolarHBondContact OD1-N 2.84Å; D515-H518 IonicContact OD1-ND1 3.78Å; D515-H518 PolarHBondContact OD1-ND1 2.86Å; D515-H518 VanDerWaalsContact OD1-ND1 3.15Å; D515-H518 WeakPolarHBondContact OD2-CB 3.47Å; D515-H518 IonicContact OD2-CG 2.82Å; D515-H518 IonicContact OD2-ND1 2.78Å; D515-H518 PolarHBondContact OD2-ND1 2.98Å; D515-T519 WeakPolarHBondContact O-CG2 3.37Å; D515-T519 PolarHBondContact O-N 3.13Å; D515-T519 VanDerWaalsContact O-N 3.08Å
516	P	87.4	Confident	91.9	Very high	50 Å²	50	36.6 Å²	36.6	33%	0.325	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.5	-174.5	-27.9	35.6	0	0	0	115.6	A457 W460 T504	A457-P516 HydrophobicContact CB-CB 4.22Å; A457-P516 HydrophobicContact CB-CG 4.25Å; W460-P516 HydrophobicContact CB-CG 3.54Å; W460-P516 HydrophobicContact CD2-CG 3.79Å; W460-P516 HydrophobicContact CE3-CG 4.43Å; W460-P516 HydrophobicContact CG-CG 3.35Å; T504-P516 HydrophobicContact CG2-CB 4.15Å; T504-P516 HydrophobicContact CG2-CG 4.01Å; T504-P516 WeakPolarHBondContact OG1-CD 3.41Å; T504-P516 VanDerWaalsContact OG1-N 3.17Å
517	M	80.5	Confident	91.7	Very high	164 Å²	164	43.2 Å²	43.2	81%	0.808	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-22.8	177.8	-62.5	-178.3	65	0	0	112.7	D515	D515-M517 PolarHBondContact O-N 2.96Å; D515-M517 WeakPolarHBondContact OD1-CA 3.49Å; D515-M517 WeakPolarHBondContact OD1-CB 3.3Å; D515-M517 PolarHBondContact OD1-N 2.78Å
518	H	81.9	Confident	91.6	Very high	123 Å²	123	43.2 Å²	43.2	57%	0.569	22%	0.216	S	C	*	.	S	Bend	trans	-129.6	41.2	-175.3	-45.5	96.5	0	0	0	113.2	D515	D515-H518 CarbonylContact O-C 3.53Å; D515-H518 PolarHBondContact O-N 3.02Å; D515-H518 IonicContact OD1-CG 3.78Å; D515-H518 PolarHBondContact OD1-N 2.84Å; D515-H518 IonicContact OD1-ND1 3.78Å; D515-H518 PolarHBondContact OD1-ND1 2.86Å; D515-H518 VanDerWaalsContact OD1-ND1 3.15Å; D515-H518 WeakPolarHBondContact OD2-CB 3.47Å; D515-H518 IonicContact OD2-CG 2.82Å; D515-H518 IonicContact OD2-ND1 2.78Å; D515-H518 PolarHBondContact OD2-ND1 2.98Å
519	T	88.4	Confident	91.4	Very high	43 Å²	43	45.9 Å²	45.9	26%	0.264	23%	0.23	S	C	.	.			trans	-60.8	143.6	176.7	65.6	0	0	0	0	112	T504 R512 V513 D515	T504-T519 HydrophobicContact CG2-CG2 4.09Å; R512-T519 HydrophobicContact CB-CG2 4.4Å; V513-T519 CarbonylContact O-C 3.49Å; V513-T519 WeakPolarHBondContact O-CA 3.42Å; D515-T519 WeakPolarHBondContact O-CG2 3.37Å; D515-T519 PolarHBondContact O-N 3.13Å; D515-T519 VanDerWaalsContact O-N 3.08Å
520	K	88.9	Confident	91.2	Very high	98 Å²	98	50.5 Å²	50.5	43%	0.426	25%	0.251	S	S	.	.			trans	-81.7	157.6	171.7	-57.5	-60.6	-177.9	-175.2	0	110.2	V513 V522	V513-K520 HydrophobicContact CB-CB 4.42Å; V513-K520 HydrophobicContact CB-CG 4.31Å; V513-K520 HydrophobicContact CG1-CG 4.48Å; V513-K520 PolarHBondContact O-N 3.31Å; K520-V522 HydrophobicContact CB-CG2 3.95Å; K520-V522 PolarHBondContact O-N 2.93Å
521	K	90.2	Very high	91.1	Very high	104 Å²	104	50.9 Å²	50.9	45%	0.452	26%	0.255	S	S	.	.	S	Bend	trans	-80.6	28.1	178.9	-64.4	-178.5	178.2	172.6	0	113.1	C538	K521-C538 VanDerWaalsContact C-SG 3.5Å; K521-C538 PolarHBondContact O-N 3.35Å
522	V	93.6	Very high	90.9	Very high	6 Å²	6	54.5 Å²	54.5	4%	0.036	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.6	176.3	-67.7	0	0	0	0	110.4	F477 V513 K520 L535 Y536	F477-V522 HydrophobicContact CB-CG2 4.39Å; V513-V522 HydrophobicContact CG2-CG2 4.31Å; K520-V522 HydrophobicContact CB-CG2 3.95Å; K520-V522 PolarHBondContact O-N 2.93Å; V522-L535 HydrophobicContact CB-CB 4.24Å; V522-L535 HydrophobicContact CG2-CD1 4.05Å; V522-Y536 CarbonylContact C-O 3.53Å; V522-Y536 VanDerWaalsContact CA-O 3.28Å; V522-Y536 WeakPolarHBondContact CA-O 3.38Å
523	C	96.1	Very high	90.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	153.5	-170.1	-78	0	0	0	0	110.6	I511 D525 L535 Y536 C538 Q545	I511-C523 CarbonylContact O-C 3.53Å; I511-C523 VanDerWaalsContact O-CA 3.29Å; I511-C523 WeakPolarHBondContact O-CA 3.47Å; C523-D525 PolarHBondContact O-N 3.19Å; C523-L535 CarbonylContact O-C 3.56Å; C523-L535 WeakPolarHBondContact O-CA 3.43Å; C523-Y536 PolarHBondContact N-O 3.41Å; C523-Y536 PolarHBondContact O-N 2.78Å; C523-C538 HydrophobicContact CB-CB 4.06Å; C523-C538 WeakPolarHBondContact CB-SG 3.43Å; C523-C538 PolarHBondContact N-SG 3.32Å; C523-C538 WeakPolarHBondContact SG-CB 3.44Å; C523-C538 CovalentContact SG-SG 2.04Å; C523-C538 PolarHBondContact SG-SG 3.02Å; C523-Q545 HydrophobicContact CB-CB 4.5Å; C523-Q545 HydrophobicContact CB-CG 4.21Å
524	F	97.3	Very high	91.1	Very high	1 Å²	1	54 Å²	54	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	127.7	168.7	-83.2	35.5	0	0	0	109.8	L472 I483 F503 I511 V533 T534 L535 Q545 W547	L472-F524 HydrophobicContact CD1-CE2 4.03Å; L472-F524 HydrophobicContact CD1-CZ 3.91Å; I483-F524 HydrophobicContact CD1-CD1 3.37Å; I483-F524 HydrophobicContact CD1-CD2 3.86Å; I483-F524 HydrophobicContact CD1-CE1 3.17Å; I483-F524 HydrophobicContact CD1-CE2 3.67Å; I483-F524 HydrophobicContact CD1-CG 3.72Å; I483-F524 HydrophobicContact CD1-CZ 3.33Å; I483-F524 HydrophobicContact CG1-CE1 4.5Å; I483-F524 HydrophobicContact CG2-CZ 4.37Å; F503-F524 AromaticContact CD1-CE1 3.52Å; F503-F524 HydrophobicContact CD1-CE1 3.52Å; F503-F524 AromaticContact CD1-CZ 3.95Å; F503-F524 HydrophobicContact CD1-CZ 3.95Å; F503-F524 AromaticContact CE1-CE1 3.52Å; F503-F524 HydrophobicContact CE1-CE1 3.52Å; F503-F524 AromaticContact CE1-CZ 3.93Å; F503-F524 HydrophobicContact CE1-CZ 3.93Å; F503-F524 HydrophobicContact CG-CE1 4.44Å; F503-F524 HydrophobicContact CZ-CE1 4.46Å; F503-F524 HydrophobicContact CZ-CZ 4.49Å; I511-F524 HydrophobicContact CB-CB 4.16Å; I511-F524 HydrophobicContact CB-CD1 4Å; I511-F524 HydrophobicContact CB-CD2 4.18Å; I511-F524 HydrophobicContact CB-CE1 4.4Å; I511-F524 HydrophobicContact CB-CG 3.87Å; I511-F524 HydrophobicContact CD1-CD2 4.17Å; I511-F524 HydrophobicContact CD1-CE2 4.45Å; I511-F524 HydrophobicContact CG2-CD1 3.8Å; I511-F524 HydrophobicContact CG2-CD2 4.2Å; I511-F524 HydrophobicContact CG2-CE1 3.7Å; I511-F524 HydrophobicContact CG2-CE2 4.15Å; I511-F524 HydrophobicContact CG2-CG 4.05Å; I511-F524 HydrophobicContact CG2-CZ 3.89Å; I511-F524 PolarHBondContact O-N 3.29Å; F524-V533 HydrophobicContact CB-CG1 4.09Å; F524-V533 HydrophobicContact CD2-CG1 3.63Å; F524-V533 HydrophobicContact CE2-CG1 4.29Å; F524-V533 HydrophobicContact CG-CG1 3.97Å; F524-T534 CarbonylContact C-O 3.44Å; F524-T534 WeakPolarHBondContact CA-O 3.42Å; F524-L535 HydrophobicContact CD1-CD2 4.04Å; F524-L535 HydrophobicContact CE1-CD2 4.35Å; F524-Q545 WeakPolarHBondContact O-CA 3.07Å; F524-W547 HydrophobicContact CB-CZ2 3.66Å; F524-W547 VanDerWaalsContact CB-NE1 3.32Å; F524-W547 HydrophobicContact CD2-CZ2 4.29Å; F524-W547 PolarHBondContact O-NE1 3.15Å
525	D	96.8	Very high	91.4	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.027	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.8	-176.7	-158.1	-71.9	0	0	0	110.3	C523 T534 N544 Q545	C523-D525 PolarHBondContact O-N 3.19Å; D525-T534 PolarHBondContact N-O 3.05Å; D525-T534 PolarHBondContact O-N 2.81Å; D525-T534 PolarHBondContact O-OG1 3.4Å; D525-N544 WeakPolarHBondContact CA-O 3.34Å; D525-N544 PolarHBondContact OD1-ND2 3.13Å; D525-N544 PolarHBondContact OD2-ND2 2.9Å; D525-Q545 HydrophobicContact CB-CG 4.4Å; D525-Q545 WeakPolarHBondContact OD2-CG 3.36Å; D525-Q545 PolarHBondContact OD2-NE2 2.94Å; D525-Q545 VanDerWaalsContact OD2-NE2 3.14Å
526	A	95.4	Very high	91.8	Very high	2 Å²	2	58.6 Å²	58.6	2%	0.017	29%	0.294	C	S	.	.			trans	-135	125.7	179.1	0	0	0	0	0	111.4	N544 W547 H557 M575	A526-N544 PolarHBondContact N-O 3.09Å; A526-N544 WeakPolarHBondContact O-CB 3.49Å; A526-W547 HydrophobicContact CB-CH2 3.97Å; A526-W547 HydrophobicContact CB-CZ2 4.16Å; A526-H557 PolarHBondContact O-CE1 3.17Å; A526-H557 VanDerWaalsContact O-CE1 3.31Å; A526-M575 HydrophobicContact CB-CG 3.79Å; A526-M575 HydrophobicContact CB-SD 3.96Å
527	I	90.8	Very high	92.1	Very high	148 Å²	148	60.6 Å²	60.6	76%	0.759	30%	0.302	S	S	*	.			trans	-91.5	-31.6	-171.2	-55.5	170.2	0	0	0	111.6	S531	I527-S531 PolarHBondContact N-OG 3.36Å; I527-S531 VanDerWaalsContact N-OG 3.13Å
528	S	89.4	Confident	92.6	Very high	46 Å²	46	54.4 Å²	54.4	32%	0.322	28%	0.275	S	S	.	.	S	Bend	trans	-147.9	169.1	-178.2	75.9	0	0	0	0	112.5	H530 S531 M575	S528-H530 PolarHBondContact O-N 3.46Å; S528-H530 VanDerWaalsContact O-N 3.1Å; S528-H530 PolarHBondContact OG-N 3.38Å; S528-S531 PolarHBondContact N-OG 2.92Å; S528-S531 PolarHBondContact O-N 2.84Å; S528-S531 PolarHBondContact O-OG 3.04Å; S528-S531 WeakPolarHBondContact OG-CB 3.43Å; S528-S531 PolarHBondContact OG-N 3.22Å; S528-S531 VanDerWaalsContact OG-N 3.12Å; S528-M575 WeakPolarHBondContact O-CB 3.28Å; S528-M575 WeakPolarHBondContact O-CG 3.39Å
529	H	90.3	Very high	92.9	Very high	95 Å²	95	51.5 Å²	51.5	44%	0.44	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-3.9	178.8	59.6	-85.6	0	0	0	114.6	S562 M575 N576	H529-S562 WeakPolarHBondContact CA-OG 3.34Å; H529-M575 CarbonylContact O-C 3.56Å; H529-M575 WeakPolarHBondContact O-CB 3.48Å; H529-N576 WeakPolarHBondContact O-CA 3.11Å; H529-N576 PolarHBondContact O-N 2.87Å
530	H	91.4	Very high	92.9	Very high	110 Å²	110	51 Å²	51	51%	0.509	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	4.2	173.9	-65.7	-48.4	0	0	0	113.8	S528 M575	S528-H530 PolarHBondContact O-N 3.46Å; S528-H530 VanDerWaalsContact O-N 3.1Å; S528-H530 PolarHBondContact OG-N 3.38Å; H530-M575 WeakPolarHBondContact CA-O 3.05Å
531	S	92.9	Very high	92.7	Very high	13 Å²	13	53.1 Å²	53.1	9%	0.091	28%	0.278	C	S	.	.	S	Bend	trans	-72.2	155.3	-179	61.3	0	0	0	0	112.2	I527 S528 F574 M575	I527-S531 PolarHBondContact N-OG 3.36Å; I527-S531 VanDerWaalsContact N-OG 3.13Å; S528-S531 PolarHBondContact N-OG 2.92Å; S528-S531 PolarHBondContact O-N 2.84Å; S528-S531 PolarHBondContact O-OG 3.04Å; S528-S531 WeakPolarHBondContact OG-CB 3.43Å; S528-S531 PolarHBondContact OG-N 3.22Å; S528-S531 VanDerWaalsContact OG-N 3.12Å; S531-F574 WeakPolarHBondContact O-CA 3.45Å; S531-M575 PolarHBondContact O-N 2.84Å
532	P	94.3	Very high	92.7	Very high	77 Å²	77	54.8 Å²	54.8	50%	0.5	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-60.9	153	162.8	28.9	-35.1	0	0	0	110.4	T534	P532-T534 HydrophobicContact CB-CG2 4.47Å; P532-T534 HydrophobicContact CG-CG2 4.34Å
533	V	95.9	Very high	92.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-86.1	126.5	166.4	-169.3	0	0	0	0	108.1	I483 F524 W547 V564 V573 M575	I483-V533 HydrophobicContact CD1-CB 4.33Å; I483-V533 HydrophobicContact CD1-CG1 3.76Å; I483-V533 WeakPolarHBondContact CG1-O 3.4Å; I483-V533 PolarHBondContact N-O 2.88Å; F524-V533 HydrophobicContact CB-CG1 4.09Å; F524-V533 HydrophobicContact CD2-CG1 3.63Å; F524-V533 HydrophobicContact CE2-CG1 4.29Å; F524-V533 HydrophobicContact CG-CG1 3.97Å; V533-W547 HydrophobicContact CG1-CH2 4.08Å; V533-W547 HydrophobicContact CG1-CZ2 4.08Å; V533-W547 HydrophobicContact CG2-CH2 4.27Å; V533-V564 HydrophobicContact CG2-CG1 4.24Å; V533-V564 HydrophobicContact CG2-CG2 4.23Å; V533-V573 HydrophobicContact CB-CG1 4.47Å; V533-V573 HydrophobicContact CG2-CG1 4.23Å; V533-M575 HydrophobicContact CG2-CG 4.35Å; V533-M575 HydrophobicContact CG2-SD 3.63Å
534	T	95.9	Very high	92.5	Very high	28 Å²	28	58.5 Å²	58.5	17%	0.172	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	165.5	-178.4	60.8	0	0	0	0	111.1	S481 F524 D525 P532	S481-T534 CarbonylContact O-C 3.58Å; S481-T534 WeakPolarHBondContact O-CA 3.16Å; F524-T534 CarbonylContact C-O 3.44Å; F524-T534 WeakPolarHBondContact CA-O 3.42Å; D525-T534 PolarHBondContact N-O 3.05Å; D525-T534 PolarHBondContact O-N 2.81Å; D525-T534 PolarHBondContact O-OG1 3.4Å; P532-T534 HydrophobicContact CB-CG2 4.47Å; P532-T534 HydrophobicContact CG-CG2 4.34Å
535	L	95.8	Very high	92.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	129.4	165.8	-64.9	-178.1	0	0	0	109.1	S474 S479 G480 S481 I483 V513 V522 C523 F524	S474-L535 WeakPolarHBondContact OG-CD1 3.32Å; S479-L535 CarbonylContact C-O 3.6Å; S479-L535 WeakPolarHBondContact CA-O 3.45Å; G480-L535 PolarHBondContact N-O 3Å; S481-L535 PolarHBondContact O-N 2.04Å; I483-L535 HydrophobicContact CD1-CD2 4.14Å; I483-L535 HydrophobicContact CG1-CD2 4.49Å; I483-L535 HydrophobicContact CG1-CG 4.44Å; V513-L535 HydrophobicContact CG2-CD1 3.7Å; V513-L535 HydrophobicContact CG2-CD2 3.92Å; V513-L535 HydrophobicContact CG2-CG 4.5Å; V522-L535 HydrophobicContact CB-CB 4.24Å; V522-L535 HydrophobicContact CG2-CD1 4.05Å; C523-L535 CarbonylContact O-C 3.56Å; C523-L535 WeakPolarHBondContact O-CA 3.43Å; F524-L535 HydrophobicContact CD1-CD2 4.04Å; F524-L535 HydrophobicContact CE1-CD2 4.35Å
536	Y	94.8	Very high	92.4	Very high	117 Å²	117	59.3 Å²	59.3	46%	0.459	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	162.1	171.8	-155.7	-93.4	0	0	0	109.9	S479 V522 C523 C538	S479-Y536 WeakPolarHBondContact OG-CD2 3.5Å; S479-Y536 WeakPolarHBondContact OG-CE2 3.31Å; V522-Y536 CarbonylContact C-O 3.53Å; V522-Y536 VanDerWaalsContact CA-O 3.28Å; V522-Y536 WeakPolarHBondContact CA-O 3.38Å; C523-Y536 PolarHBondContact N-O 3.41Å; C523-Y536 PolarHBondContact O-N 2.78Å; Y536-C538 PolarHBondContact O-N 2.86Å
537	D	92.8	Very high	92.5	Very high	92 Å²	92	59.2 Å²	59.2	49%	0.492	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	129.6	177.2	-68.6	-39.5	0	0	0	110.7	H539 Q545	D537-H539 PolarHBondContact O-N 3.41Å; D537-Q545 PolarHBondContact O-NE2 2.86Å
538	C	92.6	Very high	92.8	Very high	34 Å²	34	53.5 Å²	53.5	23%	0.23	28%	0.28	C	S	.	.			trans	-66.4	122.3	-178.2	-68.1	0	0	0	0	110.8	K521 C523 Y536	K521-C538 VanDerWaalsContact C-SG 3.5Å; K521-C538 PolarHBondContact O-N 3.35Å; C523-C538 HydrophobicContact CB-CB 4.06Å; C523-C538 WeakPolarHBondContact CB-SG 3.43Å; C523-C538 PolarHBondContact N-SG 3.32Å; C523-C538 WeakPolarHBondContact SG-CB 3.44Å; C523-C538 CovalentContact SG-SG 2.04Å; C523-C538 PolarHBondContact SG-SG 3.02Å; Y536-C538 PolarHBondContact O-N 2.86Å
539	H	88.1	Confident	93.2	Very high	62 Å²	62	52.2 Å²	52.2	29%	0.287	27%	0.268	S	S	.	.			trans	-110.3	-13.4	178.7	58.3	74.7	0	0	0	113.8	D537 M541 N544 Q545	D537-H539 PolarHBondContact O-N 3.41Å; H539-M541 HydrophobicContact CB-CE 4.01Å; H539-M541 HydrophobicContact CB-CG 4.36Å; H539-M541 VanDerWaalsContact ND1-CB 3.32Å; H539-M541 WeakPolarHBondContact ND1-CB 3.42Å; H539-M541 WeakPolarHBondContact ND1-CE 3.3Å; H539-M541 PolarHBondContact ND1-N 3.38Å; H539-M541 VanDerWaalsContact ND1-N 3.16Å; H539-M541 PolarHBondContact O-N 3.29Å; H539-N544 PolarHBondContact NE2-OD1 3.43Å; H539-Q545 PolarHBondContact CD2-NE2 3.09Å; H539-Q545 VanDerWaalsContact CD2-NE2 3.27Å; H539-Q545 PolarHBondContact CD2-OE1 2.96Å; H539-Q545 VanDerWaalsContact CD2-OE1 3.23Å; H539-Q545 VanDerWaalsContact NE2-CG 3.31Å; H539-Q545 WeakPolarHBondContact NE2-CG 3.41Å; H539-Q545 PolarHBondContact NE2-NE2 3.21Å; H539-Q545 PolarHBondContact NE2-OE1 2.73Å
540	G	87.3	Confident	93.4	Very high	32 Å²	32	50.8 Å²	50.8	33%	0.33	26%	0.259	S	S	.	.			trans	65.3	20.3	174	0	0	0	0	0	114.8	R542	G540-R542 VanDerWaalsContact C-N 3.35Å
541	M	85.9	Confident	93.5	Very high	144 Å²	144	54.7 Å²	54.7	71%	0.709	28%	0.275	S	S	*	.	S	Bend	trans	-96.6	14.7	-179.5	-53.1	-172.9	-70.7	0	0	112.7	H539 G543	H539-M541 HydrophobicContact CB-CE 4.01Å; H539-M541 HydrophobicContact CB-CG 4.36Å; H539-M541 VanDerWaalsContact ND1-CB 3.32Å; H539-M541 WeakPolarHBondContact ND1-CB 3.42Å; H539-M541 WeakPolarHBondContact ND1-CE 3.3Å; H539-M541 PolarHBondContact ND1-N 3.38Å; H539-M541 VanDerWaalsContact ND1-N 3.16Å; H539-M541 PolarHBondContact O-N 3.29Å; M541-G543 VanDerWaalsContact C-N 3.33Å; M541-G543 PolarHBondContact O-N 2.82Å
542	R	88.9	Confident	93.7	Very high	139 Å²	139	56.1 Å²	56.1	53%	0.525	28%	0.281	S	S	.	.	S	Bend	trans	61.4	-84.3	-171.2	-63.3	179.2	173.4	164.5	-3.4	110.2	E509 G540 Q545 L546	E509-R542 IonicContact OE1-CZ 3.08Å; E509-R542 IonicContact OE1-NE 2.63Å; E509-R542 PolarHBondContact OE1-NE 3.41Å; E509-R542 IonicContact OE1-NH2 2.67Å; E509-R542 PolarHBondContact OE1-NH2 3.38Å; E509-R542 IonicContact OE2-NE 3.2Å; G540-R542 VanDerWaalsContact C-N 3.35Å; R542-Q545 CarbonylContact O-C 3.25Å; R542-Q545 WeakPolarHBondContact O-CA 3.45Å; R542-Q545 PolarHBondContact O-N 2.93Å; R542-L546 HydrophobicContact CB-CB 3.97Å; R542-L546 HydrophobicContact CB-CD1 4.03Å; R542-L546 HydrophobicContact CB-CD2 4.19Å; R542-L546 HydrophobicContact CB-CG 4.27Å; R542-L546 HydrophobicContact CG-CD1 4.08Å; R542-L546 WeakPolarHBondContact O-CB 3.31Å; R542-L546 PolarHBondContact O-N 3.3Å
543	G	91.9	Very high	93.8	Very high	29 Å²	29	56.6 Å²	56.6	30%	0.299	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	41.6	-139.7	167.2	0	0	0	0	0	116.1	M541 Q545 L546 V559	M541-G543 VanDerWaalsContact C-N 3.33Å; M541-G543 PolarHBondContact O-N 2.82Å; G543-Q545 PolarHBondContact O-N 3.47Å; G543-Q545 VanDerWaalsContact O-N 3.13Å; G543-L546 WeakPolarHBondContact O-CB 3.23Å; G543-L546 PolarHBondContact O-N 2.9Å; G543-L546 VanDerWaalsContact O-N 3.17Å; G543-V559 WeakPolarHBondContact O-CG2 3.49Å
544	N	94.1	Very high	93.9	Very high	55 Å²	55	56.8 Å²	56.8	29%	0.294	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-65.9	-1	173.3	56.8	-28.4	0	0	0	114.9	D525 A526 H539 H557	D525-N544 WeakPolarHBondContact CA-O 3.34Å; D525-N544 PolarHBondContact OD1-ND2 3.13Å; D525-N544 PolarHBondContact OD2-ND2 2.9Å; A526-N544 PolarHBondContact N-O 3.09Å; A526-N544 WeakPolarHBondContact O-CB 3.49Å; H539-N544 PolarHBondContact NE2-OD1 3.43Å; N544-H557 WeakPolarHBondContact CA-NE2 3.39Å; N544-H557 PolarHBondContact O-NE2 2.75Å
545	Q	96.5	Very high	94	Very high	3 Å²	3	55.5 Å²	55.5	1%	0.014	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-113	10.4	175.9	-62.6	-176.7	-9.5	0	0	112.2	D510 C523 F524 D525 D537 H539 R542 G543	D510-Q545 WeakPolarHBondContact CA-O 3.16Å; C523-Q545 HydrophobicContact CB-CB 4.5Å; C523-Q545 HydrophobicContact CB-CG 4.21Å; F524-Q545 WeakPolarHBondContact O-CA 3.07Å; D525-Q545 HydrophobicContact CB-CG 4.4Å; D525-Q545 WeakPolarHBondContact OD2-CG 3.36Å; D525-Q545 PolarHBondContact OD2-NE2 2.94Å; D525-Q545 VanDerWaalsContact OD2-NE2 3.14Å; D537-Q545 PolarHBondContact O-NE2 2.86Å; H539-Q545 PolarHBondContact CD2-NE2 3.09Å; H539-Q545 VanDerWaalsContact CD2-NE2 3.27Å; H539-Q545 PolarHBondContact CD2-OE1 2.96Å; H539-Q545 VanDerWaalsContact CD2-OE1 3.23Å; H539-Q545 VanDerWaalsContact NE2-CG 3.31Å; H539-Q545 WeakPolarHBondContact NE2-CG 3.41Å; H539-Q545 PolarHBondContact NE2-NE2 3.21Å; H539-Q545 PolarHBondContact NE2-OE1 2.73Å; R542-Q545 CarbonylContact O-C 3.25Å; R542-Q545 WeakPolarHBondContact O-CA 3.45Å; R542-Q545 PolarHBondContact O-N 2.93Å; G543-Q545 PolarHBondContact O-N 3.47Å; G543-Q545 VanDerWaalsContact O-N 3.13Å
546	L	96.4	Very high	94	Very high	20 Å²	20	56.8 Å²	56.8	11%	0.105	27%	0.274	C	S	.	.			trans	-88.6	120.8	-179	176.1	61.5	0	0	0	109.9	E509 R542 G543 H557 P558	E509-L546 HydrophobicContact CB-CD1 3.67Å; R542-L546 HydrophobicContact CB-CB 3.97Å; R542-L546 HydrophobicContact CB-CD1 4.03Å; R542-L546 HydrophobicContact CB-CD2 4.19Å; R542-L546 HydrophobicContact CB-CG 4.27Å; R542-L546 HydrophobicContact CG-CD1 4.08Å; R542-L546 WeakPolarHBondContact O-CB 3.31Å; R542-L546 PolarHBondContact O-N 3.3Å; G543-L546 WeakPolarHBondContact O-CB 3.23Å; G543-L546 PolarHBondContact O-N 2.9Å; G543-L546 VanDerWaalsContact O-N 3.17Å; L546-H557 PolarHBondContact O-CD2 3.4Å; L546-P558 HydrophobicContact CD2-CB 4.18Å; L546-P558 HydrophobicContact CD2-CG 3.91Å; L546-P558 HydrophobicContact CG-CG 4.06Å; L546-P558 WeakPolarHBondContact O-CD 3.14Å
547	W	97.3	Very high	94.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.252	C	S	.	.			trans	-121.3	153.4	179.5	-59.6	90.7	0	0	0	112	F505 E509 I511 F524 A526 V533 H557 V564 M575	F505-W547 HydrophobicContact CE2-CB 4.06Å; F505-W547 WeakPolarHBondContact CZ-O 3.34Å; E509-W547 PolarHBondContact O-N 3.39Å; I511-W547 HydrophobicContact CD1-CB 3.87Å; I511-W547 HydrophobicContact CD1-CD2 4.19Å; I511-W547 HydrophobicContact CD1-CG 3.79Å; I511-W547 HydrophobicContact CG1-CB 4.09Å; I511-W547 HydrophobicContact CG1-CG 4.05Å; F524-W547 HydrophobicContact CB-CZ2 3.66Å; F524-W547 VanDerWaalsContact CB-NE1 3.32Å; F524-W547 HydrophobicContact CD2-CZ2 4.29Å; F524-W547 PolarHBondContact O-NE1 3.15Å; A526-W547 HydrophobicContact CB-CH2 3.97Å; A526-W547 HydrophobicContact CB-CZ2 4.16Å; V533-W547 HydrophobicContact CG1-CH2 4.08Å; V533-W547 HydrophobicContact CG1-CZ2 4.08Å; V533-W547 HydrophobicContact CG2-CH2 4.27Å; W547-H557 HydrophobicContact CE3-CB 4.11Å; W547-H557 HydrophobicContact CH2-CB 4.27Å; W547-H557 HydrophobicContact CZ3-CB 3.76Å; W547-V564 HydrophobicContact CE3-CG2 4.2Å; W547-V564 HydrophobicContact CH2-CG2 3.93Å; W547-V564 HydrophobicContact CZ3-CG2 3.36Å; W547-M575 HydrophobicContact CH2-CE 4.29Å; W547-M575 HydrophobicContact CH2-SD 3.8Å; W547-M575 HydrophobicContact CZ3-CE 4.06Å; W547-M575 HydrophobicContact CZ3-SD 4.05Å
548	R	96.8	Very high	94.2	Very high	27 Å²	27	48.6 Å²	48.6	10%	0.102	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.5	170.7	-66.5	-74.1	175.3	-115.8	9.4	108.2	E509 Y556 P558 F600	E509-R548 IonicContact OE2-CZ 2.63Å; E509-R548 IonicContact OE2-NH1 2.82Å; E509-R548 PolarHBondContact OE2-NH1 2.97Å; E509-R548 IonicContact OE2-NH2 3.83Å; E509-R548 PolarHBondContact OE2-NH2 2.86Å; R548-Y556 HydrophobicContact CB-CD1 3.96Å; R548-Y556 HydrophobicContact CG-CD1 4.05Å; R548-Y556 PolarHBondContact N-O 2.85Å; R548-Y556 PolarHBondContact O-N 2.63Å; R548-P558 HydrophobicContact CG-CG 3.77Å; R548-F600 WeakPolarHBondContact CD-O 3.46Å; R548-F600 PolarHBondContact NE-O 3.08Å; R548-F600 PolarHBondContact NH1-O 3.25Å; R548-F600 PolarHBondContact NH2-O 2.89Å
549	Y	97.6	Very high	94.3	Very high	20 Å²	20	51.4 Å²	51.4	8%	0.078	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	106.2	169.4	-177.2	-123	0	0	0	108.4	K553 S554 L555 W587 F589 T592 L597 N601	Y549-K553 HydrophobicContact CE2-CB 4.27Å; Y549-S554 WeakPolarHBondContact CA-O 3.29Å; Y549-L555 HydrophobicContact CD2-CD2 3.94Å; Y549-W587 VanDerWaalsContact CE2-O 3.25Å; Y549-W587 WeakPolarHBondContact CE2-O 3.47Å; Y549-W587 PolarHBondContact OH-O 3.33Å; Y549-F589 HydrophobicContact CD1-CD2 4.31Å; Y549-F589 HydrophobicContact CD2-CD2 4.33Å; Y549-F589 HydrophobicContact CD2-CE2 4.2Å; Y549-F589 HydrophobicContact CE1-CD2 4.13Å; Y549-F589 HydrophobicContact CE2-CD2 4.14Å; Y549-F589 HydrophobicContact CE2-CE2 4.4Å; Y549-F589 HydrophobicContact CG-CD2 4.4Å; Y549-F589 HydrophobicContact CG-CE2 4.3Å; Y549-T592 HydrophobicContact CE1-CG2 4.19Å; Y549-L597 HydrophobicContact CD1-CD1 3.89Å; Y549-L597 HydrophobicContact CD1-CD2 3.79Å; Y549-L597 HydrophobicContact CE1-CD1 4.3Å; Y549-L597 HydrophobicContact CG-CD2 4.36Å; Y549-N601 PolarHBondContact O-ND2 3.35Å
550	R	94.9	Very high	94.6	Very high	65 Å²	65	49.6 Å²	49.6	25%	0.245	25%	0.25	C	C	.	.			trans	-90.1	169	-170.4	-73.5	177.2	173.9	174.9	-3.9	111.9	D552 K553 S554 Y556	R550-D552 WeakPolarHBondContact CB-OD1 3.46Å; R550-D552 PolarHBondContact O-N 2.63Å; R550-K553 WeakPolarHBondContact O-CA 3.36Å; R550-K553 PolarHBondContact O-N 2.95Å; R550-S554 PolarHBondContact N-O 3.32Å; R550-S554 VanDerWaalsContact N-O 3.1Å; R550-Y556 VanDerWaalsContact CZ-CD1 3.44Å; R550-Y556 VanDerWaalsContact NH2-CG 3.35Å
551	K	93.8	Very high	95	Very high	192 Å²	192	53.6 Å²	53.6	84%	0.835	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.4	179.7	-68.8	-172.7	177.6	-176.3	0	113.5	K553	K551-K553 PolarHBondContact O-N 3.02Å
552	D	95.3	Very high	95.5	Very high	43 Å²	43	46.8 Å²	46.8	23%	0.23	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	4.6	173.2	64.3	-2	0	0	0	113.1	R550 S554 P580	R550-D552 WeakPolarHBondContact CB-OD1 3.46Å; R550-D552 PolarHBondContact O-N 2.63Å; D552-S554 VanDerWaalsContact CG-OG 3.29Å; D552-S554 PolarHBondContact O-N 3.39Å; D552-S554 VanDerWaalsContact OD1-CB 3.29Å; D552-S554 WeakPolarHBondContact OD1-CB 3.27Å; D552-S554 PolarHBondContact OD1-N 2.86Å; D552-S554 PolarHBondContact OD1-OG 2.9Å; D552-S554 PolarHBondContact OD2-OG 3.23Å; D552-P580 HydrophobicContact CB-CB 4.1Å
553	K	97.3	Very high	96	Very high	87 Å²	87	40.2 Å²	40.2	38%	0.378	21%	0.206	S	C	.	.	S	Bend	trans	66.9	17.3	-178.1	-54	159.3	174.9	177.9	0	113.6	Y549 R550 K551 Q586 W587 L588	Y549-K553 HydrophobicContact CE2-CB 4.27Å; R550-K553 WeakPolarHBondContact O-CA 3.36Å; R550-K553 PolarHBondContact O-N 2.95Å; K551-K553 PolarHBondContact O-N 3.02Å; K553-Q586 HydrophobicContact CB-CB 4.25Å; K553-Q586 HydrophobicContact CB-CG 4.49Å; K553-W587 PolarHBondContact O-N 3.48Å; K553-L588 HydrophobicContact CD-CD2 3.59Å; K553-L588 HydrophobicContact CG-CD2 4.16Å
554	S	97.3	Very high	96.3	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.028	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-79.2	143.5	172.6	65.9	0	0	0	0	111.6	Y549 R550 D552	Y549-S554 WeakPolarHBondContact CA-O 3.29Å; R550-S554 PolarHBondContact N-O 3.32Å; R550-S554 VanDerWaalsContact N-O 3.1Å; D552-S554 VanDerWaalsContact CG-OG 3.29Å; D552-S554 PolarHBondContact O-N 3.39Å; D552-S554 VanDerWaalsContact OD1-CB 3.29Å; D552-S554 WeakPolarHBondContact OD1-CB 3.27Å; D552-S554 PolarHBondContact OD1-N 2.86Å; D552-S554 PolarHBondContact OD1-OG 2.9Å; D552-S554 PolarHBondContact OD2-OG 3.23Å
555	L	98.1	Very high	96.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	92.2	163.1	-72.6	176.6	0	0	0	107.8	I511 Y549 C563 V564 W587 F589	I511-L555 HydrophobicContact CD1-CD1 4.4Å; I511-L555 HydrophobicContact CD1-CD2 3.74Å; Y549-L555 HydrophobicContact CD2-CD2 3.94Å; L555-C563 WeakPolarHBondContact O-CA 3.49Å; L555-V564 HydrophobicContact CB-CB 3.92Å; L555-V564 HydrophobicContact CB-CG2 3.58Å; L555-V564 HydrophobicContact CD1-CB 4.41Å; L555-V564 HydrophobicContact CD1-CG2 4.21Å; L555-V564 PolarHBondContact O-N 2.97Å; L555-W587 HydrophobicContact CD1-CB 4.27Å; L555-W587 HydrophobicContact CD1-CD2 4.42Å; L555-W587 HydrophobicContact CD1-CG 3.96Å; L555-W587 HydrophobicContact CG-CB 4.28Å; L555-W587 HydrophobicContact CG-CG 4.16Å; L555-F589 HydrophobicContact CD2-CE2 3.97Å; L555-F589 HydrophobicContact CD2-CZ 4.43Å
556	Y	97.4	Very high	96.5	Very high	26 Å²	26	37.1 Å²	37.1	10%	0.102	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	133	-178.8	172	-114.8	0	0	0	111	R548 R550 P558 N561	R548-Y556 HydrophobicContact CB-CD1 3.96Å; R548-Y556 HydrophobicContact CG-CD1 4.05Å; R548-Y556 PolarHBondContact N-O 2.85Å; R548-Y556 PolarHBondContact O-N 2.63Å; R550-Y556 VanDerWaalsContact CZ-CD1 3.44Å; R550-Y556 VanDerWaalsContact NH2-CG 3.35Å; Y556-P558 HydrophobicContact CD1-CB 4.41Å; Y556-P558 HydrophobicContact CD1-CG 3.81Å; Y556-P558 VanDerWaalsContact CE1-CA 3.5Å; Y556-P558 HydrophobicContact CE1-CB 3.74Å; Y556-P558 HydrophobicContact CE1-CG 3.63Å; Y556-P558 WeakPolarHBondContact O-CD 3.33Å; Y556-N561 PolarHBondContact OH-OD1 3.13Å
557	H	97.1	Very high	96.5	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	101.9	174.2	-173.8	-124.6	0	0	0	109.1	A526 N544 L546 W547 V559 S560 N561 S562 M575	A526-H557 PolarHBondContact O-CE1 3.17Å; A526-H557 VanDerWaalsContact O-CE1 3.31Å; N544-H557 WeakPolarHBondContact CA-NE2 3.39Å; N544-H557 PolarHBondContact O-NE2 2.75Å; L546-H557 PolarHBondContact O-CD2 3.4Å; W547-H557 HydrophobicContact CE3-CB 4.11Å; W547-H557 HydrophobicContact CH2-CB 4.27Å; W547-H557 HydrophobicContact CZ3-CB 3.76Å; H557-V559 VanDerWaalsContact C-N 3.27Å; H557-V559 PolarHBondContact O-N 3.06Å; H557-S560 PolarHBondContact ND1-N 3.5Å; H557-S560 PolarHBondContact ND1-OG 3.04Å; H557-S560 PolarHBondContact O-N 3.31Å; H557-N561 PolarHBondContact O-N 3.28Å; H557-S562 PolarHBondContact N-O 3.2Å; H557-S562 PolarHBondContact O-N 2.86Å; H557-M575 HydrophobicContact CB-CE 3.44Å; H557-M575 VanDerWaalsContact CB-CE 3.44Å
558	P	94.5	Very high	96.4	Very high	37 Å²	37	40.4 Å²	40.4	24%	0.24	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-32.3	-173.7	-23.3	34.4	0	0	0	114.1	L546 R548 Y556 S560 N561	L546-P558 HydrophobicContact CD2-CB 4.18Å; L546-P558 HydrophobicContact CD2-CG 3.91Å; L546-P558 HydrophobicContact CG-CG 4.06Å; L546-P558 WeakPolarHBondContact O-CD 3.14Å; R548-P558 HydrophobicContact CG-CG 3.77Å; Y556-P558 HydrophobicContact CD1-CB 4.41Å; Y556-P558 HydrophobicContact CD1-CG 3.81Å; Y556-P558 VanDerWaalsContact CE1-CA 3.5Å; Y556-P558 HydrophobicContact CE1-CB 3.74Å; Y556-P558 HydrophobicContact CE1-CG 3.63Å; Y556-P558 WeakPolarHBondContact O-CD 3.33Å; P558-S560 PolarHBondContact O-N 3.43Å; P558-N561 PolarHBondContact O-N 3.06Å
559	V	94.3	Very high	96.2	Very high	92 Å²	92	46.8 Å²	46.8	56%	0.558	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-33.2	-174.5	173.7	0	0	0	0	112.5	G543 H557	G543-V559 WeakPolarHBondContact O-CG2 3.49Å; H557-V559 VanDerWaalsContact C-N 3.27Å; H557-V559 PolarHBondContact O-N 3.06Å
560	S	94.1	Very high	96.1	Very high	24 Å²	24	50.9 Å²	50.9	17%	0.168	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	1.4	174.9	63.4	0	0	0	0	114	H557 P558 S562	H557-S560 PolarHBondContact ND1-N 3.5Å; H557-S560 PolarHBondContact ND1-OG 3.04Å; H557-S560 PolarHBondContact O-N 3.31Å; P558-S560 PolarHBondContact O-N 3.43Å; S560-S562 VanDerWaalsContact C-N 3.27Å; S560-S562 PolarHBondContact O-N 3.49Å; S560-S562 PolarHBondContact OG-OG 2.89Å
561	N	95.2	Very high	96.1	Very high	117 Å²	117	52.1 Å²	52.1	63%	0.626	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	46	-175.4	-169	32.4	0	0	0	113	Y556 H557 P558	Y556-N561 PolarHBondContact OH-OD1 3.13Å; H557-N561 PolarHBondContact O-N 3.28Å; P558-N561 PolarHBondContact O-N 3.06Å
562	S	97.3	Very high	96.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	165.4	-174.6	64.8	0	0	0	0	110.9	H529 H557 S560 M575 N576	H529-S562 WeakPolarHBondContact CA-OG 3.34Å; H557-S562 PolarHBondContact N-O 3.2Å; H557-S562 PolarHBondContact O-N 2.86Å; S560-S562 VanDerWaalsContact C-N 3.27Å; S560-S562 PolarHBondContact O-N 3.49Å; S560-S562 PolarHBondContact OG-OG 2.89Å; S562-M575 WeakPolarHBondContact O-CE 3.44Å; S562-M575 WeakPolarHBondContact OG-CE 3.35Å; S562-N576 WeakPolarHBondContact CA-O 3.49Å; S562-N576 VanDerWaalsContact CB-O 3.24Å; S562-N576 WeakPolarHBondContact CB-O 3.4Å
563	C	98.2	Very high	96.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	153.7	-176.8	-71	0	0	0	0	110.8	L555 D565 M575 N576 C578	L555-C563 WeakPolarHBondContact O-CA 3.49Å; C563-D565 PolarHBondContact O-N 3.15Å; C563-M575 WeakPolarHBondContact O-CA 3.2Å; C563-N576 PolarHBondContact N-O 3.44Å; C563-N576 PolarHBondContact O-N 3.46Å; C563-C578 HydrophobicContact CB-CB 3.95Å; C563-C578 WeakPolarHBondContact CB-SG 3.46Å; C563-C578 PolarHBondContact N-SG 3.37Å; C563-C578 WeakPolarHBondContact SG-CB 3.17Å; C563-C578 CovalentContact SG-SG 2.05Å; C563-C578 PolarHBondContact SG-SG 2.05Å
564	V	98.3	Very high	96.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	123.7	172.2	-174.2	0	0	0	0	109.1	V533 W547 L555 V573 M575 Q585 W587	V533-V564 HydrophobicContact CG2-CG1 4.24Å; V533-V564 HydrophobicContact CG2-CG2 4.23Å; W547-V564 HydrophobicContact CE3-CG2 4.2Å; W547-V564 HydrophobicContact CH2-CG2 3.93Å; W547-V564 HydrophobicContact CZ3-CG2 3.36Å; L555-V564 HydrophobicContact CB-CB 3.92Å; L555-V564 HydrophobicContact CB-CG2 3.58Å; L555-V564 HydrophobicContact CD1-CB 4.41Å; L555-V564 HydrophobicContact CD1-CG2 4.21Å; L555-V564 PolarHBondContact O-N 2.97Å; V564-V573 HydrophobicContact CG1-CG1 3.35Å; V564-M575 HydrophobicContact CG2-CE 4.44Å; V564-M575 HydrophobicContact CG2-SD 3.98Å; V564-Q585 WeakPolarHBondContact O-CA 3.36Å; V564-W587 HydrophobicContact CB-CZ2 4.43Å; V564-W587 HydrophobicContact CG1-CZ2 3.67Å; V564-W587 PolarHBondContact O-NE1 2.99Å
565	D	98.2	Very high	96.3	Very high	11 Å²	11	44.8 Å²	44.8	6%	0.059	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	169.8	176.8	-156	-11.5	0	0	0	110	C563 V573 F574 N576 S584 Q585	C563-D565 PolarHBondContact O-N 3.15Å; D565-V573 WeakPolarHBondContact O-CA 3.49Å; D565-F574 HydrophobicContact CB-CD2 4.39Å; D565-F574 HydrophobicContact CB-CE2 3.99Å; D565-F574 HydrophobicContact CB-CZ 4.24Å; D565-F574 PolarHBondContact N-O 3Å; D565-F574 PolarHBondContact O-N 2.92Å; D565-F574 VanDerWaalsContact O-O 3.14Å; D565-N576 HydrophobicContact CB-CB 3.65Å; D565-N576 PolarHBondContact OD2-ND2 3.33Å; D565-S584 VanDerWaalsContact OD1-CB 3.25Å; D565-S584 WeakPolarHBondContact OD1-CB 3.29Å; D565-S584 PolarHBondContact OD1-OG 2.99Å; D565-Q585 HydrophobicContact CB-CG 3.8Å; D565-Q585 VanDerWaalsContact CG-CG 3.43Å; D565-Q585 PolarHBondContact OD2-NE2 3.27Å
566	S	97.4	Very high	96.3	Very high	11 Å²	11	47 Å²	47	8%	0.077	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	154.1	-177.1	65.2	0	0	0	0	113.9	N465 R572 S584	N465-S566 PolarHBondContact ND2-OG 2.86Å; S566-R572 VanDerWaalsContact CA-O 3.3Å; S566-R572 WeakPolarHBondContact CA-O 3.48Å; S566-S584 PolarHBondContact OG-O 2.88Å; S566-S584 VanDerWaalsContact OG-O 3.13Å
567	N	96.8	Very high	96.3	Very high	48 Å²	48	50.4 Å²	50.4	26%	0.257	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	109.4	170.1	-179.1	-32.9	0	0	0	108.3	N569 E570 R571 R572 F574	N567-N569 VanDerWaalsContact C-N 3.34Å; N567-N569 PolarHBondContact O-N 2.96Å; N567-N569 WeakPolarHBondContact OD1-CB 3.42Å; N567-N569 PolarHBondContact OD1-N 2.96Å; N567-E570 HydrophobicContact CB-CB 4.39Å; N567-E570 PolarHBondContact O-N 2.79Å; N567-E570 PolarHBondContact OD1-N 2.89Å; N567-E570 VanDerWaalsContact OD1-N 3.12Å; N567-R571 WeakPolarHBondContact O-CA 3.25Å; N567-R571 PolarHBondContact O-N 3.37Å; N567-R572 PolarHBondContact N-O 3.01Å; N567-R572 PolarHBondContact O-N 3.49Å; N567-R572 VanDerWaalsContact O-N 3.09Å; N567-F574 HydrophobicContact CB-CE1 3.97Å
568	A	94.6	Very high	96.3	Very high	41 Å²	41	52.1 Å²	52.1	34%	0.339	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-35.3	-176.5	0	0	0	0	0	113	R571	A568-R571 PolarHBondContact O-N 2.89Å
569	N	93.9	Very high	96.5	Very high	161 Å²	161	53.6 Å²	53.6	86%	0.861	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-39.7	-179.5	-65.1	-26.2	0	0	0	111.2	N567	N567-N569 VanDerWaalsContact C-N 3.34Å; N567-N569 PolarHBondContact O-N 2.96Å; N567-N569 WeakPolarHBondContact OD1-CB 3.42Å; N567-N569 PolarHBondContact OD1-N 2.96Å
570	E	94.8	Very high	96.5	Very high	106 Å²	106	52.7 Å²	52.7	50%	0.495	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-3.9	178.2	-64.4	-178.6	-160.5	0	0	113.5	N567 R572	N567-E570 HydrophobicContact CB-CB 4.39Å; N567-E570 PolarHBondContact O-N 2.79Å; N567-E570 PolarHBondContact OD1-N 2.89Å; N567-E570 VanDerWaalsContact OD1-N 3.12Å; E570-R572 HydrophobicContact CB-CB 4.22Å; E570-R572 HydrophobicContact CB-CG 4.19Å; E570-R572 PolarHBondContact O-N 2.74Å; E570-R572 WeakPolarHBondContact OE2-CD 3.48Å; E570-R572 IonicContact OE2-CZ 3.3Å; E570-R572 IonicContact OE2-NE 2.62Å; E570-R572 IonicContact OE2-NH1 3.31Å; E570-R572 PolarHBondContact OE2-NH1 3.46Å
571	R	94.9	Very high	96.5	Very high	91 Å²	91	56 Å²	56	34%	0.343	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	33.1	-171.7	-66.1	-174.6	-177.4	-112.2	-13.6	113.4	R484 L485 E486 N567 A568	R484-R571 WeakPolarHBondContact CA-O 3.48Å; R484-R571 WeakPolarHBondContact CB-O 3.17Å; L485-R571 HydrophobicContact CB-CB 4.44Å; L485-R571 PolarHBondContact N-O 2.68Å; L485-R571 VanDerWaalsContact N-O 3.08Å; L485-R571 WeakPolarHBondContact O-CB 3.24Å; L485-R571 WeakPolarHBondContact O-CD 3.38Å; L485-R571 WeakPolarHBondContact O-CG 3.47Å; E486-R571 IonicContact OE2-CZ 2.67Å; E486-R571 IonicContact OE2-NH1 3.81Å; E486-R571 PolarHBondContact OE2-NH1 3.2Å; N567-R571 WeakPolarHBondContact O-CA 3.25Å; N567-R571 PolarHBondContact O-N 3.37Å; A568-R571 PolarHBondContact O-N 2.89Å
572	R	95.2	Very high	96.6	Very high	127 Å²	127	51.4 Å²	51.4	48%	0.479	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	147.9	-175	-86.7	174.4	61.9	-162.7	3	112.1	S566 N567 E570 F574	S566-R572 VanDerWaalsContact CA-O 3.3Å; S566-R572 WeakPolarHBondContact CA-O 3.48Å; N567-R572 PolarHBondContact N-O 3.01Å; N567-R572 PolarHBondContact O-N 3.49Å; N567-R572 VanDerWaalsContact O-N 3.09Å; E570-R572 HydrophobicContact CB-CB 4.22Å; E570-R572 HydrophobicContact CB-CG 4.19Å; E570-R572 PolarHBondContact O-N 2.74Å; E570-R572 WeakPolarHBondContact OE2-CD 3.48Å; E570-R572 IonicContact OE2-CZ 3.3Å; E570-R572 IonicContact OE2-NE 2.62Å; E570-R572 IonicContact OE2-NH1 3.31Å; E570-R572 PolarHBondContact OE2-NH1 3.46Å; R572-F574 HydrophobicContact CB-CD1 4.39Å
573	V	97.3	Very high	96.6	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.024	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.2	173.2	-177.2	0	0	0	0	107.6	L472 L485 V533 V564 D565 W587	L472-V573 HydrophobicContact CD2-CB 4.45Å; L472-V573 HydrophobicContact CD2-CG1 4.11Å; L472-V573 HydrophobicContact CD2-CG2 3.57Å; L485-V573 HydrophobicContact CD2-CG2 4.22Å; L485-V573 HydrophobicContact CG-CG2 4.01Å; V533-V573 HydrophobicContact CB-CG1 4.47Å; V533-V573 HydrophobicContact CG2-CG1 4.23Å; V564-V573 HydrophobicContact CG1-CG1 3.35Å; D565-V573 WeakPolarHBondContact O-CA 3.49Å; V573-W587 HydrophobicContact CG1-CH2 4.43Å; V573-W587 HydrophobicContact CG2-CH2 4.38Å
574	F	97.4	Very high	96.6	Very high	42 Å²	42	55.6 Å²	55.6	18%	0.184	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	164.7	-173.4	56.6	-86	0	0	0	110.9	S531 D565 N567 R572 N576	S531-F574 WeakPolarHBondContact O-CA 3.45Å; D565-F574 HydrophobicContact CB-CD2 4.39Å; D565-F574 HydrophobicContact CB-CE2 3.99Å; D565-F574 HydrophobicContact CB-CZ 4.24Å; D565-F574 PolarHBondContact N-O 3Å; D565-F574 PolarHBondContact O-N 2.92Å; D565-F574 VanDerWaalsContact O-O 3.14Å; N567-F574 HydrophobicContact CB-CE1 3.97Å; R572-F574 HydrophobicContact CB-CD1 4.39Å; F574-N576 HydrophobicContact CD2-CB 4.39Å; F574-N576 HydrophobicContact CE2-CB 4.13Å
575	M	98	Very high	96.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	141.8	173.9	-59.5	-51.2	-62.5	0	0	110.8	A526 S528 H529 H530 S531 V533 W547 H557 S562 C563 V564	A526-M575 HydrophobicContact CB-CG 3.79Å; A526-M575 HydrophobicContact CB-SD 3.96Å; S528-M575 WeakPolarHBondContact O-CB 3.28Å; S528-M575 WeakPolarHBondContact O-CG 3.39Å; H529-M575 CarbonylContact O-C 3.56Å; H529-M575 WeakPolarHBondContact O-CB 3.48Å; H530-M575 WeakPolarHBondContact CA-O 3.05Å; S531-M575 PolarHBondContact O-N 2.84Å; V533-M575 HydrophobicContact CG2-CG 4.35Å; V533-M575 HydrophobicContact CG2-SD 3.63Å; W547-M575 HydrophobicContact CH2-CE 4.29Å; W547-M575 HydrophobicContact CH2-SD 3.8Å; W547-M575 HydrophobicContact CZ3-CE 4.06Å; W547-M575 HydrophobicContact CZ3-SD 4.05Å; H557-M575 HydrophobicContact CB-CE 3.44Å; H557-M575 VanDerWaalsContact CB-CE 3.44Å; S562-M575 WeakPolarHBondContact O-CE 3.44Å; S562-M575 WeakPolarHBondContact OG-CE 3.35Å; C563-M575 WeakPolarHBondContact O-CA 3.2Å; V564-M575 HydrophobicContact CG2-CE 4.44Å; V564-M575 HydrophobicContact CG2-SD 3.98Å
576	N	97.7	Very high	96.6	Very high	47 Å²	47	57.2 Å²	57.2	25%	0.251	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	168	174.9	-159.9	10.4	0	0	0	111.5	H529 S562 C563 D565 F574 C578	H529-N576 WeakPolarHBondContact O-CA 3.11Å; H529-N576 PolarHBondContact O-N 2.87Å; S562-N576 WeakPolarHBondContact CA-O 3.49Å; S562-N576 VanDerWaalsContact CB-O 3.24Å; S562-N576 WeakPolarHBondContact CB-O 3.4Å; C563-N576 PolarHBondContact N-O 3.44Å; C563-N576 PolarHBondContact O-N 3.46Å; D565-N576 HydrophobicContact CB-CB 3.65Å; D565-N576 PolarHBondContact OD2-ND2 3.33Å; F574-N576 HydrophobicContact CD2-CB 4.39Å; F574-N576 HydrophobicContact CE2-CB 4.13Å; N576-C578 PolarHBondContact O-N 2.86Å
577	T	97.6	Very high	96.7	Very high	97 Å²	97	56.7 Å²	56.7	60%	0.595	31%	0.31	S	S	*	.			trans	-54.6	130.7	172	-56.6	0	0	0	0	110.1	D579 Q585	T577-D579 PolarHBondContact O-N 3.4Å; T577-Q585 PolarHBondContact O-NE2 2.67Å; T577-Q585 PolarHBondContact O-OE1 3.49Å
578	C	97.4	Very high	96.7	Very high	37 Å²	37	57.5 Å²	57.5	25%	0.25	31%	0.314	C	S	.	.			trans	-65	124.6	-178.2	-67.9	0	0	0	0	111.6	C563 N576	C563-C578 HydrophobicContact CB-CB 3.95Å; C563-C578 WeakPolarHBondContact CB-SG 3.46Å; C563-C578 PolarHBondContact N-SG 3.37Å; C563-C578 WeakPolarHBondContact SG-CB 3.17Å; C563-C578 CovalentContact SG-SG 2.05Å; C563-C578 PolarHBondContact SG-SG 2.05Å; N576-C578 PolarHBondContact O-N 2.86Å
579	D	97.3	Very high	96.8	Very high	68 Å²	68	56.3 Å²	56.3	36%	0.364	30%	0.302	S	S	.	.			trans	-128.5	102.6	170.6	178.5	0.5	0	0	0	109.2	T577 S581 S582	T577-D579 PolarHBondContact O-N 3.4Å; D579-S581 PolarHBondContact O-N 3.02Å; D579-S581 VanDerWaalsContact O-N 3.12Å; D579-S581 WeakPolarHBondContact OD1-CB 3.11Å; D579-S581 PolarHBondContact OD1-N 3.43Å; D579-S581 PolarHBondContact OD1-OG 3.47Å; D579-S581 PolarHBondContact OD2-OG 3.16Å; D579-S582 WeakPolarHBondContact O-CB 3.05Å; D579-S582 PolarHBondContact O-N 3.21Å; D579-S582 PolarHBondContact OD1-N 2.81Å
580	P	94.3	Very high	96.8	Very high	74 Å²	74	52.2 Å²	52.2	48%	0.481	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-23	179.9	-24.2	34.5	0	0	0	114	D552 Q586	D552-P580 HydrophobicContact CB-CB 4.1Å; P580-Q586 PolarHBondContact O-NE2 2.84Å; P580-Q586 VanDerWaalsContact O-NE2 3.08Å
581	S	95.5	Very high	96.9	Very high	92 Å²	92	53.5 Å²	53.5	64%	0.643	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-16.5	179.7	75.4	0	0	0	0	113.1	D579 P583	D579-S581 PolarHBondContact O-N 3.02Å; D579-S581 VanDerWaalsContact O-N 3.12Å; D579-S581 WeakPolarHBondContact OD1-CB 3.11Å; D579-S581 PolarHBondContact OD1-N 3.43Å; D579-S581 PolarHBondContact OD1-OG 3.47Å; D579-S581 PolarHBondContact OD2-OG 3.16Å; S581-P583 VanDerWaalsContact O-CD 3.26Å; S581-P583 WeakPolarHBondContact O-CD 3.26Å
582	S	97.6	Very high	97	Very high	22 Å²	22	52.4 Å²	52.4	15%	0.154	28%	0.281	C	S	.	.			trans	-76.6	117.3	-176.5	-179.6	0	0	0	0	112	D579 S584 Q585	D579-S582 WeakPolarHBondContact O-CB 3.05Å; D579-S582 PolarHBondContact O-N 3.21Å; D579-S582 PolarHBondContact OD1-N 2.81Å; S582-S584 PolarHBondContact O-N 2.63Å; S582-S584 PolarHBondContact OG-N 3.28Å; S582-S584 PolarHBondContact OG-OG 3.35Å; S582-Q585 PolarHBondContact O-N 3.1Å; S582-Q585 VanDerWaalsContact O-N 3.16Å
583	P	97.4	Very high	97	Very high	63 Å²	63	48.7 Å²	48.7	41%	0.409	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-66.4	-19.8	177.8	-20.7	34.6	0	0	0	113.5	V466 A467 S581 Q585 Q586	V466-P583 HydrophobicContact CG1-CB 4.35Å; A467-P583 HydrophobicContact CB-CB 3.93Å; A467-P583 PolarHBondContact N-O 3.27Å; S581-P583 VanDerWaalsContact O-CD 3.26Å; S581-P583 WeakPolarHBondContact O-CD 3.26Å; P583-Q585 VanDerWaalsContact C-N 3.25Å; P583-Q585 PolarHBondContact O-N 3.46Å; P583-Q586 PolarHBondContact O-N 2.63Å
584	S	97.7	Very high	96.9	Very high	26 Å²	26	51.9 Å²	51.9	18%	0.182	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-75.4	-16.3	177.8	65.4	0	0	0	0	112.9	N465 D565 S566 S582	N465-S584 PolarHBondContact ND2-O 2.86Å; D565-S584 VanDerWaalsContact OD1-CB 3.25Å; D565-S584 WeakPolarHBondContact OD1-CB 3.29Å; D565-S584 PolarHBondContact OD1-OG 2.99Å; S566-S584 PolarHBondContact OG-O 2.88Å; S566-S584 VanDerWaalsContact OG-O 3.13Å; S582-S584 PolarHBondContact O-N 2.63Å; S582-S584 PolarHBondContact OG-N 3.28Å; S582-S584 PolarHBondContact OG-OG 3.35Å
585	Q	98.2	Very high	96.8	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.019	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-101.3	-0.2	175.1	-62.3	-170	11	0	0	113.7	V564 D565 T577 S582 P583 W587	V564-Q585 WeakPolarHBondContact O-CA 3.36Å; D565-Q585 HydrophobicContact CB-CG 3.8Å; D565-Q585 VanDerWaalsContact CG-CG 3.43Å; D565-Q585 PolarHBondContact OD2-NE2 3.27Å; T577-Q585 PolarHBondContact O-NE2 2.67Å; T577-Q585 PolarHBondContact O-OE1 3.49Å; S582-Q585 PolarHBondContact O-N 3.1Å; S582-Q585 VanDerWaalsContact O-N 3.16Å; P583-Q585 VanDerWaalsContact C-N 3.25Å; P583-Q585 PolarHBondContact O-N 3.46Å; Q585-W587 PolarHBondContact O-NE1 3.26Å
586	Q	98.5	Very high	96.6	Very high	40 Å²	40	55.3 Å²	55.3	19%	0.187	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-94.2	124.9	177	-66.7	179.7	4.4	0	0	110.5	V466 K553 P580 P583	V466-Q586 HydrophobicContact CB-CB 3.88Å; V466-Q586 HydrophobicContact CG2-CB 3.62Å; V466-Q586 WeakPolarHBondContact CG2-O 3.25Å; V466-Q586 PolarHBondContact N-O 3.01Å; K553-Q586 HydrophobicContact CB-CB 4.25Å; K553-Q586 HydrophobicContact CB-CG 4.49Å; P580-Q586 PolarHBondContact O-NE2 2.84Å; P580-Q586 VanDerWaalsContact O-NE2 3.08Å; P583-Q586 PolarHBondContact O-N 2.63Å
587	W	98.4	Very high	96.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.3	-175.1	-57.7	92.4	0	0	0	110.2	V463 R464 N465 L472 L485 Y549 K553 L555 V564 V573 Q585	V463-W587 HydrophobicContact CG1-CB 4.01Å; V463-W587 HydrophobicContact CG1-CE3 4.1Å; R464-W587 CarbonylContact O-C 3.5Å; R464-W587 WeakPolarHBondContact O-CA 3.49Å; N465-W587 HydrophobicContact CB-CE3 3.93Å; N465-W587 HydrophobicContact CB-CH2 4.1Å; N465-W587 HydrophobicContact CB-CZ3 3.58Å; L472-W587 HydrophobicContact CD1-CE3 4.25Å; L472-W587 HydrophobicContact CD1-CZ3 4.24Å; L472-W587 HydrophobicContact CD2-CE3 4.16Å; L472-W587 HydrophobicContact CD2-CH2 3.64Å; L472-W587 HydrophobicContact CD2-CZ3 3.34Å; L472-W587 HydrophobicContact CG-CE3 4.05Å; L472-W587 HydrophobicContact CG-CH2 4.41Å; L472-W587 HydrophobicContact CG-CZ3 3.66Å; L485-W587 HydrophobicContact CD2-CH2 3.98Å; L485-W587 HydrophobicContact CD2-CZ3 3.9Å; Y549-W587 VanDerWaalsContact CE2-O 3.25Å; Y549-W587 WeakPolarHBondContact CE2-O 3.47Å; Y549-W587 PolarHBondContact OH-O 3.33Å; K553-W587 PolarHBondContact O-N 3.48Å; L555-W587 HydrophobicContact CD1-CB 4.27Å; L555-W587 HydrophobicContact CD1-CD2 4.42Å; L555-W587 HydrophobicContact CD1-CG 3.96Å; L555-W587 HydrophobicContact CG-CB 4.28Å; L555-W587 HydrophobicContact CG-CG 4.16Å; V564-W587 HydrophobicContact CB-CZ2 4.43Å; V564-W587 HydrophobicContact CG1-CZ2 3.67Å; V564-W587 PolarHBondContact O-NE1 2.99Å; V573-W587 HydrophobicContact CG1-CH2 4.43Å; V573-W587 HydrophobicContact CG2-CH2 4.38Å; Q585-W587 PolarHBondContact O-NE1 3.26Å
588	L	97.9	Very high	96.3	Very high	65 Å²	65	54.6 Å²	54.6	34%	0.34	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.3	179.7	-64.1	176.4	0	0	0	109.6	V463 R464 V466 K553	V463-L588 WeakPolarHBondContact CA-O 3.47Å; R464-L588 PolarHBondContact N-O 3.02Å; R464-L588 PolarHBondContact O-N 3.27Å; V466-L588 HydrophobicContact CG2-CD1 3.95Å; V466-L588 HydrophobicContact CG2-CG 3.87Å; K553-L588 HydrophobicContact CD-CD2 3.59Å; K553-L588 HydrophobicContact CG-CD2 4.16Å
589	F	96.9	Very high	96	Very high	17 Å²	17	56.4 Å²	56.4	8%	0.075	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	145.2	164.1	-78.3	-95.6	0	0	0	110.5	A459 E462 V463 F505 Y549 L555 R591 T592	A459-F589 HydrophobicContact CB-CB 3.83Å; A459-F589 HydrophobicContact CB-CD1 3.58Å; A459-F589 HydrophobicContact CB-CD2 3.89Å; A459-F589 HydrophobicContact CB-CE1 4.05Å; A459-F589 HydrophobicContact CB-CE2 4.33Å; A459-F589 HydrophobicContact CB-CG 3.49Å; A459-F589 VanDerWaalsContact CB-CG 3.49Å; A459-F589 HydrophobicContact CB-CZ 4.41Å; E462-F589 CarbonylContact O-C 3.54Å; E462-F589 WeakPolarHBondContact O-CA 3.48Å; V463-F589 HydrophobicContact CG1-CE2 4.46Å; V463-F589 HydrophobicContact CG2-CD1 3.65Å; V463-F589 HydrophobicContact CG2-CE1 3.43Å; V463-F589 VanDerWaalsContact CG2-CE1 3.43Å; V463-F589 HydrophobicContact CG2-CE2 4.37Å; V463-F589 HydrophobicContact CG2-CG 4.22Å; V463-F589 HydrophobicContact CG2-CZ 3.82Å; F505-F589 HydrophobicContact CB-CE1 4.28Å; F505-F589 HydrophobicContact CB-CZ 4.15Å; Y549-F589 HydrophobicContact CD1-CD2 4.31Å; Y549-F589 HydrophobicContact CD2-CD2 4.33Å; Y549-F589 HydrophobicContact CD2-CE2 4.2Å; Y549-F589 HydrophobicContact CE1-CD2 4.13Å; Y549-F589 HydrophobicContact CE2-CD2 4.14Å; Y549-F589 HydrophobicContact CE2-CE2 4.4Å; Y549-F589 HydrophobicContact CG-CD2 4.4Å; Y549-F589 HydrophobicContact CG-CE2 4.3Å; L555-F589 HydrophobicContact CD2-CE2 3.97Å; L555-F589 HydrophobicContact CD2-CZ 4.43Å; F589-R591 VanDerWaalsContact C-N 3.33Å; F589-R591 PolarHBondContact O-N 3.12Å; F589-T592 HydrophobicContact CB-CG2 4.08Å
590	E	93.9	Very high	95.7	Very high	75 Å²	75	54.5 Å²	54.5	35%	0.35	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	-44.1	173.8	-172	-170	141.6	0	0	112.6	E462 K490	E462-E590 HydrophobicContact CG-CB 4.15Å; E462-E590 PolarHBondContact O-N 2.84Å; K490-E590 IonicContact NZ-OE1 2.68Å; K490-E590 PolarHBondContact NZ-OE1 2.79Å; K490-E590 IonicContact NZ-OE2 3.2Å; K490-E590 PolarHBondContact NZ-OE2 3.29Å
591	R	95.5	Very high	95.5	Very high	133 Å²	133	52.3 Å²	52.3	50%	0.502	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.4	-176.5	-61.6	175.6	-176.2	-130.7	6.1	110	A459 W460 F589	A459-R591 CarbonylContact C-O 3.4Å; A459-R591 WeakPolarHBondContact CA-O 3.35Å; A459-R591 WeakPolarHBondContact CB-O 3.47Å; W460-R591 HydrophobicContact CD2-CB 3.85Å; W460-R591 VanDerWaalsContact CE2-CD 3.42Å; W460-R591 HydrophobicContact CE3-CB 4.12Å; W460-R591 HydrophobicContact CG-CB 4.43Å; W460-R591 HydrophobicContact CH2-CB 4.04Å; W460-R591 HydrophobicContact CZ2-CB 3.79Å; W460-R591 HydrophobicContact CZ2-CG 4.28Å; W460-R591 HydrophobicContact CZ3-CB 4.2Å; W460-R591 PolarHBondContact N-O 3.44Å; W460-R591 VanDerWaalsContact NE1-CD 3.33Å; W460-R591 PolarHBondContact O-N 3.19Å; F589-R591 VanDerWaalsContact C-N 3.33Å; F589-R591 PolarHBondContact O-N 3.12Å
592	T	96.7	Very high	95.1	Very high	67 Å²	67	56.9 Å²	56.9	41%	0.411	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.5	-178.7	56.8	0	0	0	0	111.1	A459 Y549 F589 L597	A459-T592 HydrophobicContact CB-CG2 4.01Å; Y549-T592 HydrophobicContact CE1-CG2 4.19Å; F589-T592 HydrophobicContact CB-CG2 4.08Å; T592-L597 HydrophobicContact CG2-CD1 4.15Å
593	N	96.6	Very high	93.5	Very high	49 Å²	49	60 Å²	60	26%	0.262	33%	0.326	S	S	.	.			trans	-111	97.3	168.4	-174.7	-24.6	0	0	0	109	A458 T595 V596 L597	A458-N593 PolarHBondContact O-N 3.4Å; N593-T595 VanDerWaalsContact C-N 3.27Å; N593-T595 PolarHBondContact O-N 3.44Å; N593-T595 PolarHBondContact OD1-N 2.65Å; N593-V596 HydrophobicContact CB-CB 4.29Å; N593-V596 HydrophobicContact CB-CG2 4.16Å; N593-V596 WeakPolarHBondContact ND2-CG2 3.41Å; N593-V596 PolarHBondContact O-N 3.49Å; N593-V596 VanDerWaalsContact O-N 3.12Å; N593-V596 PolarHBondContact OD1-N 3.12Å; N593-L597 PolarHBondContact O-N 3.05Å
594	S	93.9	Very high	91.5	Very high	72 Å²	72	59.2 Å²	59.2	50%	0.503	32%	0.32	S	S	.	.	H	α-helix	trans	-57.7	-37.8	-174.8	-54.1	0	0	0	0	112.8	V596 L597 E598	S594-V596 VanDerWaalsContact C-N 3.33Å; S594-V596 PolarHBondContact O-N 3.08Å; S594-L597 PolarHBondContact O-N 3.3Å; S594-E598 WeakPolarHBondContact O-CB 3.47Å; S594-E598 VanDerWaalsContact O-CG 3.32Å; S594-E598 WeakPolarHBondContact O-CG 3.46Å; S594-E598 PolarHBondContact O-N 3.38Å
595	T	94.8	Very high	88.9	Confident	95 Å²	95	69 Å²	69	58%	0.583	37%	0.37	S	S	*	.	H	α-helix	trans	-61.3	-41.4	178.5	-51.1	0	0	0	0	111.9	N593 N599	N593-T595 VanDerWaalsContact C-N 3.27Å; N593-T595 PolarHBondContact O-N 3.44Å; N593-T595 PolarHBondContact OD1-N 2.65Å; T595-N599 VanDerWaalsContact O-CG 3.3Å; T595-N599 PolarHBondContact O-N 3.45Å; T595-N599 PolarHBondContact O-ND2 2.92Å
596	V	95	Very high	88.4	Confident	19 Å²	19	72.3 Å²	72.3	12%	0.115	39%	0.388	C	S	.	.	H	α-helix	trans	-71.9	-43.1	177.7	-179.5	0	0	0	0	110.5	P456 A458 N593 S594 E598 N599 F600	P456-V596 HydrophobicContact CG-CG2 4.13Å; A458-V596 HydrophobicContact CB-CB 4.25Å; A458-V596 HydrophobicContact CB-CG1 3.66Å; N593-V596 HydrophobicContact CB-CB 4.29Å; N593-V596 HydrophobicContact CB-CG2 4.16Å; N593-V596 WeakPolarHBondContact ND2-CG2 3.41Å; N593-V596 PolarHBondContact O-N 3.49Å; N593-V596 VanDerWaalsContact O-N 3.12Å; N593-V596 PolarHBondContact OD1-N 3.12Å; S594-V596 VanDerWaalsContact C-N 3.33Å; S594-V596 PolarHBondContact O-N 3.08Å; V596-E598 VanDerWaalsContact C-N 3.34Å; V596-E598 PolarHBondContact O-N 3.28Å; V596-N599 WeakPolarHBondContact O-CB 3.48Å; V596-N599 PolarHBondContact O-N 2.97Å; V596-F600 HydrophobicContact CG1-CD1 4.26Å; V596-F600 HydrophobicContact CG1-CD2 4.42Å; V596-F600 HydrophobicContact CG1-CE1 3.8Å; V596-F600 HydrophobicContact CG1-CE2 3.99Å; V596-F600 HydrophobicContact CG1-CZ 3.66Å; V596-F600 WeakPolarHBondContact O-CD1 3.41Å; V596-F600 WeakPolarHBondContact O-CG 3.43Å; V596-F600 PolarHBondContact O-N 3.13Å
597	L	94.7	Very high	87.9	Confident	17 Å²	17	73.9 Å²	73.9	9%	0.089	40%	0.398	C	S	.	.	H	α-helix	trans	-61	-41	177.2	-73.9	171.3	0	0	0	112.7	A458 F505 Y549 T592 N593 S594 N599 F600 N601	A458-L597 HydrophobicContact CB-CD2 3.82Å; A458-L597 HydrophobicContact CB-CG 4.15Å; F505-L597 HydrophobicContact CD1-CD2 3.93Å; F505-L597 HydrophobicContact CE1-CD2 3.76Å; Y549-L597 HydrophobicContact CD1-CD1 3.89Å; Y549-L597 HydrophobicContact CD1-CD2 3.79Å; Y549-L597 HydrophobicContact CE1-CD1 4.3Å; Y549-L597 HydrophobicContact CG-CD2 4.36Å; T592-L597 HydrophobicContact CG2-CD1 4.15Å; N593-L597 PolarHBondContact O-N 3.05Å; S594-L597 PolarHBondContact O-N 3.3Å; L597-N599 VanDerWaalsContact C-N 3.33Å; L597-F600 PolarHBondContact O-N 3.39Å; L597-N601 PolarHBondContact O-N 3.34Å; L597-N601 VanDerWaalsContact O-N 3.13Å; L597-N601 PolarHBondContact O-ND2 3.23Å
598	E	93.2	Very high	87.3	Confident	112 Å²	112	78.1 Å²	78.1	52%	0.523	42%	0.42	S	S	.	.	H	α-helix	trans	-62.2	-42.6	175.2	-77.5	178	-179.3	0	0	111.3	S594 V596 F600 N601 R602	S594-E598 WeakPolarHBondContact O-CB 3.47Å; S594-E598 VanDerWaalsContact O-CG 3.32Å; S594-E598 WeakPolarHBondContact O-CG 3.46Å; S594-E598 PolarHBondContact O-N 3.38Å; V596-E598 VanDerWaalsContact C-N 3.34Å; V596-E598 PolarHBondContact O-N 3.28Å; E598-F600 PolarHBondContact O-N 3.3Å; E598-N601 PolarHBondContact O-N 3.33Å; E598-R602 WeakPolarHBondContact O-CG 3.08Å; E598-R602 PolarHBondContact O-N 2.89Å
599	N	92.3	Very high	86.7	Confident	74 Å²	74	78.8 Å²	78.8	40%	0.396	43%	0.425	S	S	.	.	H	α-helix	trans	-62.1	-41.7	176.1	-72	-25.2	0	0	0	112.2	T595 V596 L597 N601 R602	T595-N599 VanDerWaalsContact O-CG 3.3Å; T595-N599 PolarHBondContact O-N 3.45Å; T595-N599 PolarHBondContact O-ND2 2.92Å; V596-N599 WeakPolarHBondContact O-CB 3.48Å; V596-N599 PolarHBondContact O-N 2.97Å; L597-N599 VanDerWaalsContact C-N 3.33Å; N599-N601 VanDerWaalsContact C-N 3.27Å; N599-N601 PolarHBondContact O-N 2.83Å; N599-R602 PolarHBondContact O-N 3.13Å; N599-R602 PolarHBondContact OD1-NE 2.89Å; N599-R602 PolarHBondContact OD1-NH2 3.3Å; N599-R602 VanDerWaalsContact OD1-NH2 3.13Å
600	F	91.1	Very high	86.1	Confident	28 Å²	28	82.7 Å²	82.7	12%	0.123	45%	0.447	C	S	.	.	H	α-helix	trans	-66.6	-29.4	179.3	-72.6	4.1	0	0	0	112.9	A458 F505 G506 E509 R548 V596 L597 E598	A458-F600 HydrophobicContact CB-CD2 3.97Å; A458-F600 HydrophobicContact CB-CE2 3.69Å; F505-F600 AromaticContact CE1-CD2 3.88Å; F505-F600 HydrophobicContact CE1-CD2 3.88Å; F505-F600 HydrophobicContact CE1-CE2 4.39Å; F505-F600 HydrophobicContact CE2-CD2 4.43Å; F505-F600 HydrophobicContact CE2-CE2 4.49Å; F505-F600 AromaticContact CZ-CD2 3.71Å; F505-F600 HydrophobicContact CZ-CD2 3.71Å; F505-F600 HydrophobicContact CZ-CE2 4.17Å; G506-F600 WeakPolarHBondContact O-CE2 3.32Å; E509-F600 HydrophobicContact CB-CE2 4.41Å; E509-F600 HydrophobicContact CG-CD1 4.01Å; E509-F600 HydrophobicContact CG-CD2 3.8Å; E509-F600 HydrophobicContact CG-CE1 3.94Å; E509-F600 HydrophobicContact CG-CE2 3.71Å; E509-F600 HydrophobicContact CG-CG 3.93Å; E509-F600 HydrophobicContact CG-CZ 3.78Å; R548-F600 WeakPolarHBondContact CD-O 3.46Å; R548-F600 PolarHBondContact NE-O 3.08Å; R548-F600 PolarHBondContact NH1-O 3.25Å; R548-F600 PolarHBondContact NH2-O 2.89Å; V596-F600 HydrophobicContact CG1-CD1 4.26Å; V596-F600 HydrophobicContact CG1-CD2 4.42Å; V596-F600 HydrophobicContact CG1-CE1 3.8Å; V596-F600 HydrophobicContact CG1-CE2 3.99Å; V596-F600 HydrophobicContact CG1-CZ 3.66Å; V596-F600 WeakPolarHBondContact O-CD1 3.41Å; V596-F600 WeakPolarHBondContact O-CG 3.43Å; V596-F600 PolarHBondContact O-N 3.13Å; L597-F600 PolarHBondContact O-N 3.39Å; E598-F600 PolarHBondContact O-N 3.3Å
601	N	90.4	Very high	85.6	Confident	29 Å²	29	83.2 Å²	83.2	16%	0.155	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	9.9	-179.7	-66.1	-50.9	0	0	0	113.6	Y549 L597 E598 N599 G603 T604	Y549-N601 PolarHBondContact O-ND2 3.35Å; L597-N601 PolarHBondContact O-N 3.34Å; L597-N601 VanDerWaalsContact O-N 3.13Å; L597-N601 PolarHBondContact O-ND2 3.23Å; E598-N601 PolarHBondContact O-N 3.33Å; N599-N601 VanDerWaalsContact C-N 3.27Å; N599-N601 PolarHBondContact O-N 2.83Å; N601-G603 PolarHBondContact O-N 3.27Å; N601-T604 WeakPolarHBondContact CA-OG1 3.41Å; N601-T604 PolarHBondContact O-OG1 3.33Å
602	R	85.3	Confident	84.8	Confident	187 Å²	187	79.6 Å²	79.6	71%	0.706	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	129.8	174	-72.7	-176.3	-175.9	-176.5	1.3	110.4	E598 N599	E598-R602 WeakPolarHBondContact O-CG 3.08Å; E598-R602 PolarHBondContact O-N 2.89Å; N599-R602 PolarHBondContact O-N 3.13Å; N599-R602 PolarHBondContact OD1-NE 2.89Å; N599-R602 PolarHBondContact OD1-NH2 3.3Å; N599-R602 VanDerWaalsContact OD1-NH2 3.13Å
603	G	65.6	Low	83.9	Confident	88 Å²	88	80.6 Å²	80.6	91%	0.907	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	12.7	178.2	0	0	0	0	0	115.1	N601	N601-G603 PolarHBondContact O-N 3.27Å
604	T	55.3	Low	82.9	Confident	47 Å²	47	83.3 Å²	83.3	29%	0.288	47%	0.469	S	S	.	.			trans	-113.2	18.2	178.6	58.5	0	0	0	0	113.6	N601	N601-T604 WeakPolarHBondContact CA-OG1 3.41Å; N601-T604 PolarHBondContact O-OG1 3.33Å
605	N	42.9	Very low	81.9	Confident	231 Å²	231	84.3 Å²	84.3	100%	1.235	47%	0.465	S	S	*	.			trans	-80.3	0	171.5	-81.5	-3.1	0	0	0	111

Retrieved 605 of 605 residues in 659.7 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).