A0A087XHV3_POEFO Loading...

EEF1A lysine methyltransferase 1

Protein-lysine methyltransferase that selectively catalyzes the trimethylation of EEF1A at 'Lys-79'.

AlphaFold DB , UniProt , Accession A0A087XHV3, Species POEFO (Poecilia formosa, Amazon molly), Gene EEF1AKMT1, Length 223 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	S	37.6	Very low	39.9	Very low	171 Å²	171	131.5 Å²	131.5	100%	1.196	82%	0.824	S	S	*	*				0	120.9	0	-56	0	0	0	0	109.2
2	S	36.3	Very low	40.3	Very low	125 Å²	125	133.1 Å²	133.1	87%	0.874	82%	0.822	S	S	*	*			trans	34.9	142.4	152.3	-54.4	0	0	0	0	120.6
3	A	38.9	Very low	40.7	Very low	74 Å²	74	135.4 Å²	135.4	61%	0.612	83%	0.826	S	S	*	*			cis	178.4	151.4	-2.2	0	0	0	0	0	107.8
4	H	39.3	Very low	41	Very low	176 Å²	176	133.6 Å²	133.6	82%	0.815	82%	0.815	S	S	*	*			trans	63.8	121.4	138.7	-76.8	55.5	0	0	0	119.3
5	S	40.1	Very low	41.5	Very low	105 Å²	105	133.2 Å²	133.2	73%	0.734	82%	0.816	S	S	*	*				103.4	112.8	56.1	-79.1	0	0	0	0	111.8
6	A	44.4	Very low	42	Very low	95 Å²	95	132.9 Å²	132.9	79%	0.785	81%	0.814	S	S	*	*			trans	33	160.2	132.9	0	0	0	0	0	124.8
7	M	37.3	Very low	42.6	Very low	175 Å²	175	132.1 Å²	132.1	86%	0.862	80%	0.803	S	S	*	*			trans	104.4	113.8	160.2	-53.9	-151.6	-149.4	0	0	114.6
8	S	39.9	Very low	43.7	Very low	101 Å²	101	128.1 Å²	128.1	71%	0.706	78%	0.782	S	S	*	*			cis	75.9	131.1	43.3	89.5	0	0	0	0	115.4
9	D	37.6	Very low	43.9	Very low	152 Å²	152	125.8 Å²	125.8	81%	0.813	78%	0.778	S	S	*	*			trans	72	112	166.5	-72.8	-24.8	0	0	0	120.8
10	S	43.3	Very low	44.3	Very low	126 Å²	126	127.1 Å²	127.1	88%	0.881	77%	0.774	S	S	*	*			trans	-98.8	94	158.5	164.8	0	0	0	0	106.2
11	D	44.2	Very low	45	Very low	147 Å²	147	123.9 Å²	123.9	79%	0.786	75%	0.754	S	S	*	*			trans	-89	142.1	174.1	-129.8	-9.4	0	0	0	110.2
12	D	44.3	Very low	45.8	Very low	150 Å²	150	119.5 Å²	119.5	80%	0.802	72%	0.717	S	S	*	*			trans	-55.1	123.7	-175.6	-100.3	-43.7	0	0	0	113.8	V14	D12-V14 PolarHBondContact O-N 3.28Å
13	D	45.5	Very low	46.6	Very low	163 Å²	163	115.7 Å²	115.7	87%	0.872	69%	0.693	S	S	*	*			trans	-72.7	85.8	165.5	-89	-42.5	0	0	0	110.1
14	V	45.8	Very low	47.4	Very low	111 Å²	111	114.5 Å²	114.5	67%	0.673	68%	0.683	S	S	*	*			trans	-68.8	124.5	161.6	-177.5	0	0	0	0	108.1	D12 T16	D12-V14 PolarHBondContact O-N 3.28Å; V14-T16 PolarHBondContact O-N 3.19Å
15	P	47.9	Very low	48.4	Very low	127 Å²	127	109.4 Å²	109.4	83%	0.825	66%	0.662	S	S	*	*			trans	-66.5	104.3	-178.7	-16.1	28.4	0	0	0	111.1
16	T	48.8	Very low	48.8	Very low	128 Å²	128	108.6 Å²	108.6	79%	0.785	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-84.1	128.7	170.6	52.7	0	0	0	0	110.1	V14 S18	V14-T16 PolarHBondContact O-N 3.19Å; T16-S18 PolarHBondContact O-N 3.45Å
17	L	52.9	Low	49.5	Very low	119 Å²	119	110.6 Å²	110.6	62%	0.623	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-57.2	133.9	172.9	-75.5	165.7	0	0	0	110.3	T21	L17-T21 HydrophobicContact CD2-CG2 4.22Å
18	S	62	Low	50.9	Low	61 Å²	61	108.4 Å²	108.4	43%	0.427	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-63.1	144.3	179.6	82.4	0	0	0	0	110.7	T16 H20 T21 L22	T16-S18 PolarHBondContact O-N 3.45Å; S18-H20 PolarHBondContact O-N 2.98Å; S18-T21 WeakPolarHBondContact O-CB 3.44Å; S18-T21 PolarHBondContact O-N 2.69Å; S18-T21 PolarHBondContact OG-N 3.16Å; S18-T21 PolarHBondContact OG-OG1 2.89Å; S18-L22 PolarHBondContact O-N 2.72Å
19	A	48.8	Very low	51.4	Low	85 Å²	85	108.2 Å²	108.2	70%	0.702	61%	0.61	S	S	*	*	H	α-helix	trans	-53.9	-29.4	176.5	0	0	0	0	0	112.5	A23	A19-A23 WeakPolarHBondContact O-CB 3.25Å; A19-A23 PolarHBondContact O-N 2.99Å
20	H	51.5	Low	51.9	Low	151 Å²	151	105.5 Å²	105.5	70%	0.699	60%	0.595	S	S	*	*	H	α-helix	trans	-70.5	-37.1	176.8	-167.1	-72.4	0	0	0	112.7	S18 A23 A24	S18-H20 PolarHBondContact O-N 2.98Å; H20-A23 PolarHBondContact O-N 3.14Å; H20-A24 WeakPolarHBondContact O-CB 3.49Å; H20-A24 PolarHBondContact O-N 3.1Å; H20-A24 VanDerWaalsContact O-N 3.07Å
21	T	59	Low	52.3	Low	60 Å²	60	106.7 Å²	106.7	37%	0.368	59%	0.587	S	S	.	*	H	α-helix	trans	-67.9	-40	175.7	-50.2	0	0	0	0	111	L17 S18 L25	L17-T21 HydrophobicContact CD2-CG2 4.22Å; S18-T21 WeakPolarHBondContact O-CB 3.44Å; S18-T21 PolarHBondContact O-N 2.69Å; S18-T21 PolarHBondContact OG-N 3.16Å; S18-T21 PolarHBondContact OG-OG1 2.89Å; T21-L25 HydrophobicContact CG2-CD1 4.35Å; T21-L25 WeakPolarHBondContact O-CB 3.44Å; T21-L25 WeakPolarHBondContact O-CG 3.42Å; T21-L25 PolarHBondContact O-N 3.05Å; T21-L25 VanDerWaalsContact O-N 3.07Å
22	L	53.9	Low	52.3	Low	78 Å²	78	104.2 Å²	104.2	41%	0.408	58%	0.577	S	S	.	*	H	α-helix	trans	-64.7	-41.4	174.9	-83.6	165.3	0	0	0	112.4	S18 L25 Q26	S18-L22 PolarHBondContact O-N 2.72Å; L22-L25 PolarHBondContact O-N 2.73Å; L22-Q26 WeakPolarHBondContact O-CB 3.27Å; L22-Q26 VanDerWaalsContact O-CG 3.29Å; L22-Q26 WeakPolarHBondContact O-CG 3.32Å; L22-Q26 PolarHBondContact O-N 2.87Å
23	A	52.8	Low	52.6	Low	46 Å²	46	105.8 Å²	105.8	38%	0.38	57%	0.572	S	S	.	*	H	α-helix	trans	-65.5	-43.2	177.6	0	0	0	0	0	112.2	A19 H20 L25 Q26 E27	A19-A23 WeakPolarHBondContact O-CB 3.25Å; A19-A23 PolarHBondContact O-N 2.99Å; H20-A23 PolarHBondContact O-N 3.14Å; A23-L25 VanDerWaalsContact C-N 3.34Å; A23-L25 PolarHBondContact O-N 3.23Å; A23-Q26 WeakPolarHBondContact O-CB 3.07Å; A23-Q26 PolarHBondContact O-N 3.26Å; A23-E27 PolarHBondContact O-N 3.02Å
24	A	56.6	Low	52.5	Low	49 Å²	49	104.1 Å²	104.1	41%	0.405	57%	0.568	S	S	.	*	H	α-helix	trans	-65.2	-37.3	177.6	0	0	0	0	0	112.5	H20 F28	H20-A24 WeakPolarHBondContact O-CB 3.49Å; H20-A24 PolarHBondContact O-N 3.1Å; H20-A24 VanDerWaalsContact O-N 3.07Å; A24-F28 PolarHBondContact O-N 2.79Å; A24-F28 VanDerWaalsContact O-N 3.14Å
25	L	58.7	Low	52	Low	69 Å²	69	101.7 Å²	101.7	36%	0.361	57%	0.565	S	S	.	*	H	α-helix	trans	-63	-45.2	171.4	-78	166.5	0	0	0	110.9	T21 L22 A23 E27 F28 Y29	T21-L25 HydrophobicContact CG2-CD1 4.35Å; T21-L25 WeakPolarHBondContact O-CB 3.44Å; T21-L25 WeakPolarHBondContact O-CG 3.42Å; T21-L25 PolarHBondContact O-N 3.05Å; T21-L25 VanDerWaalsContact O-N 3.07Å; L22-L25 PolarHBondContact O-N 2.73Å; A23-L25 VanDerWaalsContact C-N 3.34Å; A23-L25 PolarHBondContact O-N 3.23Å; L25-E27 PolarHBondContact O-N 2.94Å; L25-F28 PolarHBondContact O-N 2.98Å; L25-Y29 HydrophobicContact CB-CD2 4.36Å; L25-Y29 HydrophobicContact CB-CE2 3.96Å; L25-Y29 HydrophobicContact CD2-CE2 4.18Å; L25-Y29 WeakPolarHBondContact O-CD2 3.46Å; L25-Y29 PolarHBondContact O-N 2.93Å
26	Q	49.9	Very low	51.8	Low	88 Å²	88	101.8 Å²	101.8	41%	0.411	57%	0.566	S	S	.	*	H	α-helix	trans	-61.8	-39.5	178.1	-75.9	173.7	-9	0	0	113.3	L22 A23 Y29 N30 W55	L22-Q26 WeakPolarHBondContact O-CB 3.27Å; L22-Q26 VanDerWaalsContact O-CG 3.29Å; L22-Q26 WeakPolarHBondContact O-CG 3.32Å; L22-Q26 PolarHBondContact O-N 2.87Å; A23-Q26 WeakPolarHBondContact O-CB 3.07Å; A23-Q26 PolarHBondContact O-N 3.26Å; Q26-Y29 PolarHBondContact O-N 2.89Å; Q26-N30 PolarHBondContact O-N 3.14Å; Q26-N30 VanDerWaalsContact O-N 3.09Å; Q26-N30 PolarHBondContact O-ND2 2.88Å; Q26-W55 HydrophobicContact CG-CH2 4.41Å; Q26-W55 HydrophobicContact CG-CZ2 4.43Å
27	E	58.6	Low	51.8	Low	136 Å²	136	103.4 Å²	103.4	64%	0.636	57%	0.57	S	S	*	*	H	α-helix	trans	-63.6	-48.1	174.5	-92.5	178	164.4	0	0	111.8	A23 L25 Y29 N30 E31	A23-E27 PolarHBondContact O-N 3.02Å; L25-E27 PolarHBondContact O-N 2.94Å; E27-Y29 VanDerWaalsContact C-N 3.29Å; E27-Y29 PolarHBondContact O-N 3.27Å; E27-N30 PolarHBondContact O-N 2.84Å; E27-N30 VanDerWaalsContact O-N 3.14Å; E27-E31 PolarHBondContact O-N 3.35Å
28	F	66.4	Low	51.4	Low	129 Å²	129	106.4 Å²	106.4	57%	0.566	58%	0.581	S	S	*	*	H	α-helix	trans	-57.9	-40.9	176.4	-176.2	-98.2	0	0	0	112.4	A24 L25 E31 T32	A24-F28 PolarHBondContact O-N 2.79Å; A24-F28 VanDerWaalsContact O-N 3.14Å; L25-F28 PolarHBondContact O-N 2.98Å; F28-E31 PolarHBondContact O-N 2.98Å; F28-T32 PolarHBondContact O-N 3.37Å; F28-T32 PolarHBondContact O-OG1 3.48Å
29	Y	50.3	Low	50.4	Low	97 Å²	97	109.8 Å²	109.8	38%	0.38	59%	0.594	S	S	.	*	H	α-helix	trans	-68.6	-34	178	-69.8	-53.7	0	0	0	113.3	L25 Q26 E27 E31 T32 R33 W55	L25-Y29 HydrophobicContact CB-CD2 4.36Å; L25-Y29 HydrophobicContact CB-CE2 3.96Å; L25-Y29 HydrophobicContact CD2-CE2 4.18Å; L25-Y29 WeakPolarHBondContact O-CD2 3.46Å; L25-Y29 PolarHBondContact O-N 2.93Å; Q26-Y29 PolarHBondContact O-N 2.89Å; E27-Y29 VanDerWaalsContact C-N 3.29Å; E27-Y29 PolarHBondContact O-N 3.27Å; Y29-E31 VanDerWaalsContact C-N 3.32Å; Y29-T32 PolarHBondContact O-N 3Å; Y29-R33 WeakPolarHBondContact O-CG 3.35Å; Y29-W55 HydrophobicContact CD2-CH2 4.46Å; Y29-W55 HydrophobicContact CD2-CZ2 4.43Å; Y29-W55 HydrophobicContact CE2-CZ3 4.48Å
30	N	49	Very low	50.1	Low	96 Å²	96	109.7 Å²	109.7	51%	0.513	60%	0.602	S	S	.	*	H	α-helix	trans	-68.7	-32.5	176.5	-75.1	-24.1	0	0	0	112.2	Q26 E27 T32	Q26-N30 PolarHBondContact O-N 3.14Å; Q26-N30 VanDerWaalsContact O-N 3.09Å; Q26-N30 PolarHBondContact O-ND2 2.88Å; E27-N30 PolarHBondContact O-N 2.84Å; E27-N30 VanDerWaalsContact O-N 3.14Å; N30-T32 VanDerWaalsContact C-N 3.3Å; N30-T32 PolarHBondContact O-N 3.37Å
31	E	51.6	Low	49.5	Very low	150 Å²	150	108.1 Å²	108.1	70%	0.701	60%	0.603	S	S	*	*	H	α-helix	trans	-70.3	-24.5	175.1	-68.4	179.7	172.4	0	0	113	E27 F28 Y29	E27-E31 PolarHBondContact O-N 3.35Å; F28-E31 PolarHBondContact O-N 2.98Å; Y29-E31 VanDerWaalsContact C-N 3.32Å
32	T	44.3	Very low	48.5	Very low	95 Å²	95	111.5 Å²	111.5	58%	0.583	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-6.9	-179	-31.8	0	0	0	0	113.3	F28 Y29 N30 T34	F28-T32 PolarHBondContact O-N 3.37Å; F28-T32 PolarHBondContact O-OG1 3.48Å; Y29-T32 PolarHBondContact O-N 3Å; N30-T32 VanDerWaalsContact C-N 3.3Å; N30-T32 PolarHBondContact O-N 3.37Å; T32-T34 VanDerWaalsContact C-N 3.25Å; T32-T34 PolarHBondContact O-N 2.96Å
33	R	50.1	Low	48.3	Very low	183 Å²	183	111.8 Å²	111.8	69%	0.691	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-7.3	-177.7	-71.4	172.2	87.6	150.3	7.3	114.5	Y29	Y29-R33 WeakPolarHBondContact O-CG 3.35Å
34	T	43.5	Very low	48.3	Very low	128 Å²	128	112.8 Å²	112.8	79%	0.785	63%	0.633	S	S	*	*			trans	-106.8	63	-176.2	57.1	0	0	0	0	112.3	T32	T32-T34 VanDerWaalsContact C-N 3.25Å; T32-T34 PolarHBondContact O-N 2.96Å
35	G	35	Very low	48	Very low	60 Å²	60	115 Å²	115	62%	0.619	64%	0.643	S	S	*	*			trans	-115.1	149.5	168.6	0	0	0	0	0	111.2
36	P	43.4	Very low	47.7	Very low	130 Å²	130	116.2 Å²	116.2	84%	0.844	65%	0.646	S	S	*	*			trans	-79.5	152.4	-151.7	32.5	-35.1	0	0	0	115.1
37	D	49	Very low	48.2	Very low	162 Å²	162	112.8 Å²	112.8	87%	0.866	63%	0.633	S	S	*	*			trans	-36.9	137.3	176.2	-63.7	-49.8	0	0	0	116.1
38	Q	44.5	Very low	48.2	Very low	182 Å²	182	106.5 Å²	106.5	85%	0.85	60%	0.603	S	S	*	*			trans	-105.7	104.2	158.9	-78.7	-160.8	-4	0	0	111.7
39	D	41.9	Very low	47.8	Very low	131 Å²	131	103.8 Å²	103.8	70%	0.701	61%	0.612	S	S	*	*			trans	12	100.3	140.1	35.4	4.9	0	0	0	120.3	T41	D39-T41 PolarHBondContact O-N 2.78Å; D39-T41 VanDerWaalsContact O-N 3.08Å
40	G	42.6	Very low	48.2	Very low	84 Å²	84	101.4 Å²	101.4	87%	0.866	61%	0.612	S	S	*	*				72.3	13.9	102.6	0	0	0	0	0	120.9
41	T	39	Very low	49.4	Very low	117 Å²	117	97.7 Å²	97.7	72%	0.718	59%	0.593	S	S	*	*			trans	-104.1	146.4	165.3	48.3	0	0	0	0	110.3	D39 S43	D39-T41 PolarHBondContact O-N 2.78Å; D39-T41 VanDerWaalsContact O-N 3.08Å; T41-S43 PolarHBondContact O-N 2.85Å
42	P	37.3	Very low	50.7	Low	132 Å²	132	97.7 Å²	97.7	86%	0.857	59%	0.593	S	S	*	*			trans	-64.6	103.7	173.1	6	5.8	0	0	0	106.5	D44	P42-D44 PolarHBondContact O-N 2.99Å; P42-D44 VanDerWaalsContact O-N 3.16Å
43	S	48.8	Very low	52.4	Low	83 Å²	83	94.3 Å²	94.3	58%	0.58	57%	0.571	S	S	*	*			trans	-60.6	121.1	176.6	47	0	0	0	0	107.2	T41 P45	T41-S43 PolarHBondContact O-N 2.85Å; S43-P45 VanDerWaalsContact O-CD 3.26Å; S43-P45 WeakPolarHBondContact O-CD 3.45Å
44	D	52.9	Low	53.8	Low	68 Å²	68	88 Å²	88	36%	0.364	55%	0.551	S	S	.	*			trans	-51	116.2	159.5	178.6	-3.5	0	0	0	106	P42 F46 A47	P42-D44 PolarHBondContact O-N 2.99Å; P42-D44 VanDerWaalsContact O-N 3.16Å; D44-F46 PolarHBondContact O-N 2.86Å; D44-F46 WeakPolarHBondContact OD1-CB 3.28Å; D44-F46 WeakPolarHBondContact OD1-CD2 3.36Å; D44-F46 PolarHBondContact OD1-N 2.96Å; D44-A47 HydrophobicContact CB-CB 4.29Å; D44-A47 WeakPolarHBondContact O-CB 3.49Å; D44-A47 PolarHBondContact O-N 2.84Å
45	P	50.3	Low	55.2	Low	94 Å²	94	87 Å²	87	61%	0.61	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-9.8	-177.2	24.3	-32.5	0	0	0	112.2	S43	S43-P45 VanDerWaalsContact O-CD 3.26Å; S43-P45 WeakPolarHBondContact O-CD 3.45Å
46	F	52.3	Low	57.1	Low	96 Å²	96	92.2 Å²	92.2	42%	0.421	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	2	175.7	-51.4	-69.8	0	0	0	113.6	D44 A120 Y121	D44-F46 PolarHBondContact O-N 2.86Å; D44-F46 WeakPolarHBondContact OD1-CB 3.28Å; D44-F46 WeakPolarHBondContact OD1-CD2 3.36Å; D44-F46 PolarHBondContact OD1-N 2.96Å; F46-A120 HydrophobicContact CD1-CB 3.85Å; F46-A120 HydrophobicContact CE1-CB 3.93Å; F46-A120 WeakPolarHBondContact CE1-O 3.45Å; F46-Y121 HydrophobicContact CB-CD1 4.48Å; F46-Y121 HydrophobicContact CB-CE1 3.92Å; F46-Y121 PolarHBondContact O-OH 2.88Å
47	A	60.5	Low	58.8	Low	16 Å²	16	88.1 Å²	88.1	13%	0.132	50%	0.504	C	S	.	.			trans	-73.1	136.4	176.9	0	0	0	0	0	111.2	D44 G49 A50 V51 Q94	D44-A47 HydrophobicContact CB-CB 4.29Å; D44-A47 WeakPolarHBondContact O-CB 3.49Å; D44-A47 PolarHBondContact O-N 2.84Å; A47-G49 PolarHBondContact O-N 3.19Å; A47-A50 HydrophobicContact CB-CB 4.32Å; A47-A50 WeakPolarHBondContact O-CA 3.31Å; A47-A50 VanDerWaalsContact O-CB 3.24Å; A47-A50 WeakPolarHBondContact O-CB 3.07Å; A47-A50 PolarHBondContact O-N 2.96Å; A47-V51 PolarHBondContact O-N 3.34Å; A47-Q94 VanDerWaalsContact CA-NE2 3.28Å
48	V	59.5	Low	60.4	Low	3 Å²	3	81.7 Å²	81.7	2%	0.018	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-26	169.8	177.8	0	0	0	0	110.3	A50 V51 W61 P90 Q94 F118	V48-A50 VanDerWaalsContact C-N 3.27Å; V48-A50 PolarHBondContact O-N 3.02Å; V48-V51 CarbonylContact O-C 3.59Å; V48-V51 PolarHBondContact O-N 3.36Å; V48-V51 VanDerWaalsContact O-N 3.15Å; V48-W61 HydrophobicContact CG1-CB 4.43Å; V48-W61 HydrophobicContact CG1-CD2 3.47Å; V48-W61 VanDerWaalsContact CG1-CD2 3.47Å; V48-W61 VanDerWaalsContact CG1-CE2 3.4Å; V48-W61 HydrophobicContact CG1-CE3 4.1Å; V48-W61 HydrophobicContact CG1-CG 3.61Å; V48-W61 HydrophobicContact CG1-CH2 4.49Å; V48-W61 HydrophobicContact CG1-CZ2 3.97Å; V48-W61 PolarHBondContact O-NE1 3Å; V48-P90 HydrophobicContact CG2-CB 4.18Å; V48-P90 WeakPolarHBondContact CG2-O 3.38Å; V48-Q94 HydrophobicContact CG2-CB 3.81Å; V48-Q94 HydrophobicContact CG2-CG 4.31Å; V48-Q94 VanDerWaalsContact N-CD 3.26Å; V48-F118 HydrophobicContact CG2-CE1 3.94Å; V48-F118 HydrophobicContact CG2-CZ 4.43Å
49	G	57.6	Low	62.3	Low	73 Å²	73	73.5 Å²	73.5	75%	0.753	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-21	168	0	0	0	0	0	114.9	A47	A47-G49 PolarHBondContact O-N 3.19Å
50	A	59.7	Low	64.4	Low	47 Å²	47	70.3 Å²	70.3	39%	0.388	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-18	171	0	0	0	0	0	112.5	A47 V48	A47-A50 HydrophobicContact CB-CB 4.32Å; A47-A50 WeakPolarHBondContact O-CA 3.31Å; A47-A50 VanDerWaalsContact O-CB 3.24Å; A47-A50 WeakPolarHBondContact O-CB 3.07Å; A47-A50 PolarHBondContact O-N 2.96Å; V48-A50 VanDerWaalsContact C-N 3.27Å; V48-A50 PolarHBondContact O-N 3.02Å
51	V	73.6	Confident	66.8	Low	17 Å²	17	67.1 Å²	67.1	10%	0.103	38%	0.375	C	S	.	.	S	Bend	trans	-96.2	99.3	172.8	-176.7	0	0	0	0	108.8	A47 V48 E53 W61 R117 F118	A47-V51 PolarHBondContact O-N 3.34Å; V48-V51 CarbonylContact O-C 3.59Å; V48-V51 PolarHBondContact O-N 3.36Å; V48-V51 VanDerWaalsContact O-N 3.15Å; V51-E53 PolarHBondContact O-N 3Å; V51-W61 PolarHBondContact O-NE1 3.11Å; V51-W61 VanDerWaalsContact O-NE1 3.12Å; V51-R117 HydrophobicContact CG1-CB 4.26Å; V51-F118 HydrophobicContact CB-CE1 4.26Å; V51-F118 HydrophobicContact CB-CZ 4.32Å; V51-F118 HydrophobicContact CG1-CE1 4.33Å; V51-F118 HydrophobicContact CG1-CZ 4.02Å; V51-F118 HydrophobicContact CG2-CE1 4.04Å
52	E	78.5	Confident	69.4	Low	150 Å²	150	61.8 Å²	61.8	70%	0.701	34%	0.342	S	S	*	.			trans	-57.7	134.9	178.1	-66.5	-172.9	173.2	0	0	111.7	D54 R117	E52-D54 PolarHBondContact O-N 2.98Å; E52-R117 PolarHBondContact O-NH1 2.95Å; E52-R117 PolarHBondContact O-NH2 3.24Å
53	E	80.3	Confident	72.1	Confident	25 Å²	25	56 Å²	56	12%	0.117	31%	0.305	C	S	.	.			trans	-56.3	125	174.6	-69.2	180	178.7	0	0	111.3	V51 Q59 W61 R204	V51-E53 PolarHBondContact O-N 3Å; E53-Q59 HydrophobicContact CB-CB 4.43Å; E53-W61 HydrophobicContact CG-CD2 3.85Å; E53-W61 HydrophobicContact CG-CG 3.71Å; E53-W61 HydrophobicContact CG-CZ2 4.34Å; E53-W61 WeakPolarHBondContact OE1-CB 3.34Å; E53-W61 PolarHBondContact OE1-N 3.03Å; E53-R204 WeakPolarHBondContact OE2-CD 3.25Å; E53-R204 IonicContact OE2-CZ 2.79Å; E53-R204 IonicContact OE2-NE 3.82Å; E53-R204 PolarHBondContact OE2-NE 3.07Å; E53-R204 IonicContact OE2-NH1 2.93Å; E53-R204 PolarHBondContact OE2-NH1 2.86Å; E53-R204 IonicContact OE2-NH2 2.6Å
54	D	80.4	Confident	74.3	Confident	51 Å²	51	56.7 Å²	56.7	27%	0.273	30%	0.302	S	S	.	.			trans	-100.9	109.7	169.4	-167.7	-15.3	0	0	0	111.1	E52 R56 M57 S58 Q59	E52-D54 PolarHBondContact O-N 2.98Å; D54-R56 PolarHBondContact O-N 3.26Å; D54-R56 VanDerWaalsContact OD1-CB 3.27Å; D54-R56 WeakPolarHBondContact OD1-CB 3.37Å; D54-R56 WeakPolarHBondContact OD1-CG 3.37Å; D54-R56 PolarHBondContact OD1-N 2.95Å; D54-M57 HydrophobicContact CB-CB 4.33Å; D54-M57 HydrophobicContact CB-CG 4.17Å; D54-M57 HydrophobicContact CB-SD 3.97Å; D54-M57 CarbonylContact O-C 3.57Å; D54-M57 PolarHBondContact O-N 2.84Å; D54-S58 PolarHBondContact O-N 3.23Å; D54-Q59 PolarHBondContact O-N 2.67Å
55	W	71.3	Confident	76.3	Confident	107 Å²	107	59.7 Å²	59.7	41%	0.405	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-60.9	-26.5	177.7	75.6	-87	0	0	0	113.1	Q26 Y29 M57 S58	Q26-W55 HydrophobicContact CG-CH2 4.41Å; Q26-W55 HydrophobicContact CG-CZ2 4.43Å; Y29-W55 HydrophobicContact CD2-CH2 4.46Å; Y29-W55 HydrophobicContact CD2-CZ2 4.43Å; Y29-W55 HydrophobicContact CE2-CZ3 4.48Å; W55-M57 PolarHBondContact O-N 2.86Å; W55-S58 PolarHBondContact O-N 3.34Å; W55-S58 VanDerWaalsContact O-N 3.08Å
56	R	76	Confident	78.5	Confident	168 Å²	168	55.4 Å²	55.4	63%	0.634	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-67.8	-26.4	177.2	-62.1	176.5	173.4	173	-2	111.7	D54 Y154	D54-R56 PolarHBondContact O-N 3.26Å; D54-R56 VanDerWaalsContact OD1-CB 3.27Å; D54-R56 WeakPolarHBondContact OD1-CB 3.37Å; D54-R56 WeakPolarHBondContact OD1-CG 3.37Å; D54-R56 PolarHBondContact OD1-N 2.95Å; R56-Y154 PolarHBondContact O-OH 2.99Å
57	M	79.9	Confident	80.7	Confident	44 Å²	44	51 Å²	51	22%	0.217	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-96.1	3.5	176.6	-58	172.4	102.8	0	0	111.6	D54 W55 Q59 Y114 D115	D54-M57 HydrophobicContact CB-CB 4.33Å; D54-M57 HydrophobicContact CB-CG 4.17Å; D54-M57 HydrophobicContact CB-SD 3.97Å; D54-M57 CarbonylContact O-C 3.57Å; D54-M57 PolarHBondContact O-N 2.84Å; W55-M57 PolarHBondContact O-N 2.86Å; M57-Q59 VanDerWaalsContact C-N 3.26Å; M57-Q59 HydrophobicContact CB-CG 3.96Å; M57-Q59 PolarHBondContact O-N 2.84Å; M57-Y114 HydrophobicContact CE-CD1 3.31Å; M57-Y114 HydrophobicContact CE-CE1 3.71Å; M57-Y114 HydrophobicContact CE-CG 4.37Å; M57-D115 HydrophobicContact CE-CB 3.73Å; M57-D115 HydrophobicContact SD-CB 4.27Å
58	S	82.1	Confident	82.4	Confident	27 Å²	27	51.5 Å²	51.5	19%	0.189	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	38.7	-176.3	-155.1	0	0	0	0	113.2	D54 W55 F60 P153	D54-S58 PolarHBondContact O-N 3.23Å; W55-S58 PolarHBondContact O-N 3.34Å; W55-S58 VanDerWaalsContact O-N 3.08Å; S58-F60 WeakPolarHBondContact O-CD2 3.12Å; S58-P153 WeakPolarHBondContact CB-O 3.17Å; S58-P153 PolarHBondContact OG-O 2.95Å
59	Q	83.3	Confident	84.3	Confident	10 Å²	10	53 Å²	53	5%	0.047	28%	0.28	C	S	.	.			trans	-82.2	119.6	179.5	-73.4	179.2	-27.1	0	0	111.1	E53 D54 M57 W61 D115	E53-Q59 HydrophobicContact CB-CB 4.43Å; D54-Q59 PolarHBondContact O-N 2.67Å; M57-Q59 VanDerWaalsContact C-N 3.26Å; M57-Q59 HydrophobicContact CB-CG 3.96Å; M57-Q59 PolarHBondContact O-N 2.84Å; Q59-W61 HydrophobicContact CB-CE3 4.45Å; Q59-W61 HydrophobicContact CB-CH2 3.53Å; Q59-W61 HydrophobicContact CB-CZ2 3.93Å; Q59-W61 HydrophobicContact CB-CZ3 3.8Å; Q59-W61 HydrophobicContact CG-CH2 3.44Å; Q59-W61 VanDerWaalsContact CG-CH2 3.44Å; Q59-W61 HydrophobicContact CG-CZ2 4.13Å; Q59-W61 HydrophobicContact CG-CZ3 3.93Å; Q59-D115 VanDerWaalsContact NE2-CB 3.32Å; Q59-D115 PolarHBondContact NE2-OD2 2.94Å
60	F	87.4	Confident	86.2	Confident	65 Å²	65	49.5 Å²	49.5	29%	0.285	24%	0.244	S	C	.	.			trans	-134.5	117.5	173.3	-56.9	-73.1	0	0	0	109.1	S58 L206	S58-F60 WeakPolarHBondContact O-CD2 3.12Å; F60-L206 HydrophobicContact CB-CD1 3.96Å; F60-L206 HydrophobicContact CB-CD2 4.35Å; F60-L206 HydrophobicContact CD1-CD1 4.44Å; F60-L206 HydrophobicContact CD1-CD2 3.35Å; F60-L206 HydrophobicContact CD1-CG 4.47Å; F60-L206 HydrophobicContact CD2-CD1 4.34Å; F60-L206 HydrophobicContact CD2-CD2 4.3Å; F60-L206 HydrophobicContact CE1-CD2 3.54Å; F60-L206 HydrophobicContact CE2-CD2 4.48Å; F60-L206 HydrophobicContact CG-CD1 3.99Å; F60-L206 HydrophobicContact CG-CD2 3.74Å; F60-L206 HydrophobicContact CG-CG 4.5Å; F60-L206 HydrophobicContact CZ-CD2 4.12Å
61	W	91.8	Very high	88	Confident	17 Å²	17	47.2 Å²	47.2	6%	0.064	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-84.3	133.2	-175	-54.6	152.9	0	0	0	111.2	V48 V51 E53 Q59 P90 F118 H202 N203	V48-W61 HydrophobicContact CG1-CB 4.43Å; V48-W61 HydrophobicContact CG1-CD2 3.47Å; V48-W61 VanDerWaalsContact CG1-CD2 3.47Å; V48-W61 VanDerWaalsContact CG1-CE2 3.4Å; V48-W61 HydrophobicContact CG1-CE3 4.1Å; V48-W61 HydrophobicContact CG1-CG 3.61Å; V48-W61 HydrophobicContact CG1-CH2 4.49Å; V48-W61 HydrophobicContact CG1-CZ2 3.97Å; V48-W61 PolarHBondContact O-NE1 3Å; V51-W61 PolarHBondContact O-NE1 3.11Å; V51-W61 VanDerWaalsContact O-NE1 3.12Å; E53-W61 HydrophobicContact CG-CD2 3.85Å; E53-W61 HydrophobicContact CG-CG 3.71Å; E53-W61 HydrophobicContact CG-CZ2 4.34Å; E53-W61 WeakPolarHBondContact OE1-CB 3.34Å; E53-W61 PolarHBondContact OE1-N 3.03Å; Q59-W61 HydrophobicContact CB-CE3 4.45Å; Q59-W61 HydrophobicContact CB-CH2 3.53Å; Q59-W61 HydrophobicContact CB-CZ2 3.93Å; Q59-W61 HydrophobicContact CB-CZ3 3.8Å; Q59-W61 HydrophobicContact CG-CH2 3.44Å; Q59-W61 VanDerWaalsContact CG-CH2 3.44Å; Q59-W61 HydrophobicContact CG-CZ2 4.13Å; Q59-W61 HydrophobicContact CG-CZ3 3.93Å; W61-P90 HydrophobicContact CE3-CG 4.07Å; W61-P90 HydrophobicContact CH2-CG 3.69Å; W61-P90 HydrophobicContact CZ3-CG 3.36Å; W61-F118 HydrophobicContact CH2-CE2 4.15Å; W61-F118 AromaticContact CH2-CZ 3.95Å; W61-F118 HydrophobicContact CH2-CZ 3.95Å; W61-F118 HydrophobicContact CZ2-CZ 4.14Å; W61-H202 CarbonylContact O-C 3.54Å; W61-H202 VanDerWaalsContact O-CA 3.24Å; W61-H202 WeakPolarHBondContact O-CA 3.5Å; W61-H202 WeakPolarHBondContact O-CB 3.46Å; W61-N203 PolarHBondContact O-N 3.41Å
62	Y	94.6	Very high	89.2	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.016	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-54.8	149.9	166.8	-71.5	-53.5	0	0	0	111.5	T66 L70 S91 V92 D151 C178 P200 K201 H202 N203	Y62-T66 HydrophobicContact CD1-CG2 3.46Å; Y62-T66 VanDerWaalsContact CD1-CG2 3.46Å; Y62-T66 HydrophobicContact CE1-CG2 4.17Å; Y62-T66 HydrophobicContact CG-CG2 3.79Å; Y62-L70 HydrophobicContact CD2-CD1 3.94Å; Y62-L70 HydrophobicContact CE1-CD1 4.46Å; Y62-L70 HydrophobicContact CE2-CD1 3.83Å; Y62-L70 HydrophobicContact CG-CD1 4.39Å; Y62-S91 VanDerWaalsContact CD2-OG 3.31Å; Y62-S91 WeakPolarHBondContact CD2-OG 3.43Å; Y62-V92 HydrophobicContact CD2-CG2 3.87Å; Y62-V92 HydrophobicContact CE2-CG2 4.18Å; Y62-D151 WeakPolarHBondContact CE2-OD2 3.29Å; Y62-D151 PolarHBondContact OH-OD1 3.23Å; Y62-D151 PolarHBondContact OH-OD2 2.79Å; Y62-C178 WeakPolarHBondContact OH-CB 3.27Å; Y62-P200 HydrophobicContact CD1-CB 4.28Å; Y62-P200 HydrophobicContact CE1-CB 3.85Å; Y62-K201 CarbonylContact C-O 3.51Å; Y62-K201 WeakPolarHBondContact CA-O 2.96Å; Y62-K201 WeakPolarHBondContact CD1-O 3.41Å; Y62-H202 AromaticContact CD1-CD2 3.84Å; Y62-H202 AromaticContact CD1-NE2 3.65Å; Y62-H202 AromaticContact CE1-CD2 3.95Å; Y62-H202 AromaticContact CE1-CE1 3.67Å; Y62-H202 AromaticContact CE1-NE2 3.27Å; Y62-H202 VanDerWaalsContact CE1-NE2 3.27Å; Y62-H202 WeakPolarHBondContact CE1-NE2 3.37Å; Y62-N203 PolarHBondContact O-ND2 2.88Å
63	S	94.5	Very high	90.2	Very high	12 Å²	12	42.8 Å²	42.8	8%	0.084	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-59.7	156	166.1	88.2	0	0	0	0	110.2	E65 T66 A67 K201 N203	S63-E65 WeakPolarHBondContact CB-OE2 3.33Å; S63-E65 PolarHBondContact O-N 3.14Å; S63-E65 PolarHBondContact OG-OE2 2.81Å; S63-T66 PolarHBondContact O-N 3.09Å; S63-T66 VanDerWaalsContact O-N 3.08Å; S63-T66 PolarHBondContact OG-N 2.87Å; S63-T66 PolarHBondContact OG-OG1 3.49Å; S63-T66 VanDerWaalsContact OG-OG1 3.08Å; S63-A67 PolarHBondContact O-N 3.39Å; S63-K201 PolarHBondContact N-O 3.48Å; S63-N203 WeakPolarHBondContact CA-OD1 3.41Å
64	D	93.7	Very high	91	Very high	97 Å²	97	41.6 Å²	41.6	52%	0.519	20%	0.198	S	C	.	.	H	α-helix	trans	-53.1	-44.6	-179.6	-158.7	82	0	0	0	111.9	A68 K95	D64-A68 WeakPolarHBondContact O-CB 3.43Å; D64-A68 PolarHBondContact O-N 3.02Å; D64-K95 VanDerWaalsContact OD1-CE 3.28Å; D64-K95 WeakPolarHBondContact OD1-CE 3.39Å; D64-K95 IonicContact OD1-NZ 3.78Å; D64-K95 PolarHBondContact OD1-NZ 3.42Å; D64-K95 IonicContact OD2-NZ 2.65Å; D64-K95 PolarHBondContact OD2-NZ 2.92Å
65	E	95.4	Very high	91.9	Very high	131 Å²	131	39.8 Å²	39.8	61%	0.612	19%	0.189	S	C	*	.	H	α-helix	trans	-67.4	-41.7	179.3	-51.6	78.9	-173.2	0	0	111.7	S63 A68 V69	S63-E65 WeakPolarHBondContact CB-OE2 3.33Å; S63-E65 PolarHBondContact O-N 3.14Å; S63-E65 PolarHBondContact OG-OE2 2.81Å; E65-A68 PolarHBondContact O-N 3.14Å; E65-V69 WeakPolarHBondContact O-CG2 3.29Å; E65-V69 PolarHBondContact O-N 3.4Å
66	T	96.9	Very high	93.1	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-48.1	178.9	-60.7	0	0	0	0	110.2	Y62 S63 A68 V69 L70 F198 P200 K201	Y62-T66 HydrophobicContact CD1-CG2 3.46Å; Y62-T66 VanDerWaalsContact CD1-CG2 3.46Å; Y62-T66 HydrophobicContact CE1-CG2 4.17Å; Y62-T66 HydrophobicContact CG-CG2 3.79Å; S63-T66 PolarHBondContact O-N 3.09Å; S63-T66 VanDerWaalsContact O-N 3.08Å; S63-T66 PolarHBondContact OG-N 2.87Å; S63-T66 PolarHBondContact OG-OG1 3.49Å; S63-T66 VanDerWaalsContact OG-OG1 3.08Å; T66-A68 VanDerWaalsContact C-N 3.28Å; T66-A68 PolarHBondContact O-N 3.49Å; T66-V69 PolarHBondContact O-N 3.23Å; T66-L70 HydrophobicContact CG2-CD1 4.01Å; T66-L70 HydrophobicContact CG2-CG 4.37Å; T66-L70 WeakPolarHBondContact O-CB 3.39Å; T66-L70 VanDerWaalsContact O-CG 3.27Å; T66-L70 WeakPolarHBondContact O-CG 3.4Å; T66-L70 PolarHBondContact O-N 3.1Å; T66-F198 HydrophobicContact CG2-CE1 4.12Å; T66-F198 HydrophobicContact CG2-CZ 4.21Å; T66-P200 HydrophobicContact CG2-CB 3.68Å; T66-K201 WeakPolarHBondContact CB-O 3.41Å; T66-K201 PolarHBondContact OG1-N 2.87Å; T66-K201 PolarHBondContact OG1-O 3.46Å
67	A	97.6	Very high	94.2	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.017	17%	0.171	C	C	.	.	H	α-helix	trans	-60.4	-39.4	177.9	0	0	0	0	0	111.8	S63 A71 K95	S63-A67 PolarHBondContact O-N 3.39Å; A67-A71 VanDerWaalsContact O-CB 3.28Å; A67-A71 WeakPolarHBondContact O-CB 3.3Å; A67-A71 PolarHBondContact O-N 2.83Å; A67-K95 HydrophobicContact CB-CG 3.71Å
68	A	97.1	Very high	95	Very high	27 Å²	27	33.2 Å²	33.2	22%	0.223	17%	0.165	C	C	.	.	H	α-helix	trans	-65.4	-45.4	177.6	0	0	0	0	0	112.4	D64 E65 T66 A71 E72 K95	D64-A68 WeakPolarHBondContact O-CB 3.43Å; D64-A68 PolarHBondContact O-N 3.02Å; E65-A68 PolarHBondContact O-N 3.14Å; T66-A68 VanDerWaalsContact C-N 3.28Å; T66-A68 PolarHBondContact O-N 3.49Å; A68-A71 PolarHBondContact O-N 3.18Å; A68-E72 WeakPolarHBondContact O-CB 3.38Å; A68-E72 PolarHBondContact O-N 3.07Å; A68-K95 HydrophobicContact CB-CD 4.43Å
69	V	98	Very high	95.7	Very high	34 Å²	34	33.4 Å²	33.4	21%	0.206	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-42.3	177.8	170.5	0	0	0	0	111.4	E65 T66 E72 E73 F198 L220 L221	E65-V69 WeakPolarHBondContact O-CG2 3.29Å; E65-V69 PolarHBondContact O-N 3.4Å; T66-V69 PolarHBondContact O-N 3.23Å; V69-E72 PolarHBondContact O-N 3.32Å; V69-E73 PolarHBondContact O-N 3.44Å; V69-F198 HydrophobicContact CB-CE2 4.14Å; V69-F198 HydrophobicContact CB-CZ 3.99Å; V69-F198 HydrophobicContact CG1-CD2 4.15Å; V69-F198 HydrophobicContact CG1-CE1 4.35Å; V69-F198 HydrophobicContact CG1-CE2 3.68Å; V69-F198 HydrophobicContact CG1-CZ 3.79Å; V69-F198 HydrophobicContact CG2-CE2 4.32Å; V69-L220 HydrophobicContact CG1-CD2 4.19Å; V69-L220 HydrophobicContact CG1-CG 4.18Å; V69-L221 HydrophobicContact CG1-CD2 3.87Å
70	L	98.4	Very high	96.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.6	-39.3	177.2	-67.6	-179.7	0	0	0	112	Y62 T66 E73 A74 V92 L149 L176 F198 L221	Y62-L70 HydrophobicContact CD2-CD1 3.94Å; Y62-L70 HydrophobicContact CE1-CD1 4.46Å; Y62-L70 HydrophobicContact CE2-CD1 3.83Å; Y62-L70 HydrophobicContact CG-CD1 4.39Å; T66-L70 HydrophobicContact CG2-CD1 4.01Å; T66-L70 HydrophobicContact CG2-CG 4.37Å; T66-L70 WeakPolarHBondContact O-CB 3.39Å; T66-L70 VanDerWaalsContact O-CG 3.27Å; T66-L70 WeakPolarHBondContact O-CG 3.4Å; T66-L70 PolarHBondContact O-N 3.1Å; L70-E73 PolarHBondContact O-N 3.16Å; L70-A74 WeakPolarHBondContact O-CB 3.35Å; L70-A74 PolarHBondContact O-N 3.22Å; L70-V92 HydrophobicContact CB-CG1 4.07Å; L70-V92 HydrophobicContact CB-CG2 3.95Å; L70-V92 HydrophobicContact CD1-CG2 3.93Å; L70-L149 HydrophobicContact CB-CD1 4.1Å; L70-L176 HydrophobicContact CD2-CD1 4.33Å; L70-L176 HydrophobicContact CD2-CD2 3.98Å; L70-F198 HydrophobicContact CD2-CE1 4.17Å; L70-F198 HydrophobicContact CG-CE1 4.49Å; L70-L221 HydrophobicContact CD2-CD2 4.42Å
71	A	98.4	Very high	96.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.4	-42.6	173.9	0	0	0	0	0	111.7	A67 A68 E73 A74 V75 V92 K95 L96 V101	A67-A71 VanDerWaalsContact O-CB 3.28Å; A67-A71 WeakPolarHBondContact O-CB 3.3Å; A67-A71 PolarHBondContact O-N 2.83Å; A68-A71 PolarHBondContact O-N 3.18Å; A71-E73 PolarHBondContact O-N 2.89Å; A71-A74 PolarHBondContact O-N 3.37Å; A71-V75 WeakPolarHBondContact O-CG2 3.4Å; A71-V75 PolarHBondContact O-N 3.4Å; A71-V92 HydrophobicContact CB-CG1 3.88Å; A71-K95 HydrophobicContact CB-CB 3.8Å; A71-L96 HydrophobicContact CB-CD2 3.77Å; A71-L96 HydrophobicContact CB-CG 3.98Å; A71-V101 HydrophobicContact CB-CG2 3.88Å
72	E	98.2	Very high	97.1	Very high	73 Å²	73	40.9 Å²	40.9	34%	0.341	23%	0.225	S	C	.	.	H	α-helix	trans	-57.7	-48.1	174.1	-171.9	-172.9	155.8	0	0	111.6	A68 V69 A74 V75 R76 V101 L220	A68-E72 WeakPolarHBondContact O-CB 3.38Å; A68-E72 PolarHBondContact O-N 3.07Å; V69-E72 PolarHBondContact O-N 3.32Å; E72-A74 VanDerWaalsContact C-N 3.31Å; E72-A74 PolarHBondContact O-N 2.81Å; E72-V75 PolarHBondContact O-N 3.41Å; E72-R76 HydrophobicContact CG-CG 4.45Å; E72-R76 WeakPolarHBondContact O-CB 3.26Å; E72-R76 VanDerWaalsContact O-CG 3.27Å; E72-R76 WeakPolarHBondContact O-CG 3.24Å; E72-R76 PolarHBondContact O-N 3.04Å; E72-R76 IonicContact OE1-NH1 2.75Å; E72-V101 VanDerWaalsContact CA-CG1 3.45Å; E72-V101 HydrophobicContact CB-CG1 3.85Å; E72-V101 HydrophobicContact CG-CG1 4.21Å; E72-L220 HydrophobicContact CB-CD2 4.09Å; E72-L220 HydrophobicContact CG-CD2 4.02Å
73	E	98.4	Very high	97.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-42.9	177.1	-175.3	62.4	-176.3	0	0	111.4	V69 L70 A71 V75 R76 Q77 L176 Y216 S218 L220 L221	V69-E73 PolarHBondContact O-N 3.44Å; L70-E73 PolarHBondContact O-N 3.16Å; A71-E73 PolarHBondContact O-N 2.89Å; E73-V75 PolarHBondContact O-N 2.82Å; E73-R76 PolarHBondContact O-N 2.88Å; E73-Q77 HydrophobicContact CG-CG 4.14Å; E73-Q77 WeakPolarHBondContact O-CB 3.36Å; E73-Q77 WeakPolarHBondContact O-CG 3.49Å; E73-Q77 PolarHBondContact O-N 3.31Å; E73-Q77 VanDerWaalsContact OE1-CG 3.31Å; E73-Q77 WeakPolarHBondContact OE1-CG 3.47Å; E73-Q77 PolarHBondContact OE1-NE2 3.32Å; E73-L176 HydrophobicContact CB-CD1 4.13Å; E73-L176 HydrophobicContact CG-CD1 3.89Å; E73-Y216 VanDerWaalsContact OE1-CE2 3.25Å; E73-Y216 WeakPolarHBondContact OE1-CE2 3.49Å; E73-S218 VanDerWaalsContact OE1-CB 3.3Å; E73-S218 WeakPolarHBondContact OE1-CB 3.37Å; E73-S218 PolarHBondContact OE1-OG 2.8Å; E73-S218 PolarHBondContact OE2-OG 2.99Å; E73-L220 HydrophobicContact CB-CD2 4.17Å; E73-L220 WeakPolarHBondContact OE2-CB 3.29Å; E73-L221 HydrophobicContact CB-CD1 4.18Å; E73-L221 HydrophobicContact CB-CD2 4.49Å; E73-L221 HydrophobicContact CB-CG 4.23Å; E73-L221 HydrophobicContact CG-CD1 3.71Å; E73-L221 HydrophobicContact CG-CG 3.93Å
74	A	98.4	Very high	97.5	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-44.6	177.9	0	0	0	0	0	112.2	L70 A71 E72 Q77 A78 I84 I147	L70-A74 WeakPolarHBondContact O-CB 3.35Å; L70-A74 PolarHBondContact O-N 3.22Å; A71-A74 PolarHBondContact O-N 3.37Å; E72-A74 VanDerWaalsContact C-N 3.31Å; E72-A74 PolarHBondContact O-N 2.81Å; A74-Q77 PolarHBondContact O-N 2.89Å; A74-A78 VanDerWaalsContact O-CB 3.23Å; A74-A78 WeakPolarHBondContact O-CB 3.34Å; A74-A78 PolarHBondContact O-N 2.94Å; A74-I84 HydrophobicContact CB-CD1 3.98Å; A74-I84 HydrophobicContact CB-CG2 4.13Å; A74-I147 HydrophobicContact CB-CG2 4.43Å
75	V	98.3	Very high	97.7	Very high	13 Å²	13	39.3 Å²	39.3	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-49	176.4	172.5	0	0	0	0	111.1	A71 E72 E73 Q77 A78 G79 I84 L96 V101 D102 V107	A71-V75 WeakPolarHBondContact O-CG2 3.4Å; A71-V75 PolarHBondContact O-N 3.4Å; E72-V75 PolarHBondContact O-N 3.41Å; E73-V75 PolarHBondContact O-N 2.82Å; V75-Q77 VanDerWaalsContact C-N 3.27Å; V75-Q77 PolarHBondContact O-N 3.21Å; V75-A78 PolarHBondContact O-N 3.06Å; V75-G79 PolarHBondContact O-N 3.16Å; V75-I84 HydrophobicContact CG2-CD1 4.31Å; V75-L96 HydrophobicContact CG2-CD2 3.48Å; V75-L96 VanDerWaalsContact CG2-CD2 3.48Å; V75-V101 HydrophobicContact CB-CG1 4.42Å; V75-V101 HydrophobicContact CG2-CG1 4.09Å; V75-D102 WeakPolarHBondContact CG1-O 3.25Å; V75-V107 HydrophobicContact CG1-CG1 4.39Å; V75-V107 HydrophobicContact CG2-CG2 4.08Å
76	R	97.3	Very high	97.9	Very high	136 Å²	136	33.1 Å²	33.1	51%	0.513	18%	0.181	S	C	.	.	H	α-helix	trans	-57.7	-42.1	179.2	-72.6	172.9	67.3	123.2	1.9	111.8	E72 E73	E72-R76 HydrophobicContact CG-CG 4.45Å; E72-R76 WeakPolarHBondContact O-CB 3.26Å; E72-R76 VanDerWaalsContact O-CG 3.27Å; E72-R76 WeakPolarHBondContact O-CG 3.24Å; E72-R76 PolarHBondContact O-N 3.04Å; E72-R76 IonicContact OE1-NH1 2.75Å; E73-R76 PolarHBondContact O-N 2.88Å
77	Q	98.1	Very high	97.9	Very high	32 Å²	32	32.9 Å²	32.9	15%	0.15	18%	0.18	C	C	.	.	H	α-helix	trans	-81.5	-29	-175.6	-65.4	-63.1	-18.1	0	0	113.5	E73 A74 V75 I147 K174 Y216	E73-Q77 HydrophobicContact CG-CG 4.14Å; E73-Q77 WeakPolarHBondContact O-CB 3.36Å; E73-Q77 WeakPolarHBondContact O-CG 3.49Å; E73-Q77 PolarHBondContact O-N 3.31Å; E73-Q77 VanDerWaalsContact OE1-CG 3.31Å; E73-Q77 WeakPolarHBondContact OE1-CG 3.47Å; E73-Q77 PolarHBondContact OE1-NE2 3.32Å; A74-Q77 PolarHBondContact O-N 2.89Å; V75-Q77 VanDerWaalsContact C-N 3.27Å; V75-Q77 PolarHBondContact O-N 3.21Å; Q77-I147 HydrophobicContact CB-CD1 3.54Å; Q77-I147 HydrophobicContact CG-CD1 4.13Å; Q77-K174 HydrophobicContact CB-CD 4.09Å; Q77-K174 PolarHBondContact O-NZ 3.11Å; Q77-Y216 HydrophobicContact CG-CD2 4.11Å; Q77-Y216 HydrophobicContact CG-CE2 3.48Å; Q77-Y216 VanDerWaalsContact CG-CE2 3.48Å
78	A	97.9	Very high	98	Very high	12 Å²	12	33.7 Å²	33.7	10%	0.099	19%	0.185	C	C	.	.	H	α-helix	trans	-67.5	-40.1	171.9	0	0	0	0	0	111.5	A74 V75 I84 V107 I147	A74-A78 VanDerWaalsContact O-CB 3.23Å; A74-A78 WeakPolarHBondContact O-CB 3.34Å; A74-A78 PolarHBondContact O-N 2.94Å; V75-A78 PolarHBondContact O-N 3.06Å; A78-I84 HydrophobicContact CB-CD1 4.11Å; A78-I84 HydrophobicContact CB-CG1 3.69Å; A78-V107 HydrophobicContact CB-CG1 4.01Å; A78-I147 HydrophobicContact CB-CG2 4Å
79	G	96.1	Very high	98	Very high	31 Å²	31	32.4 Å²	32.4	32%	0.32	18%	0.175	S	C	.	.			trans	74	-179.7	-177.5	0	0	0	0	0	113.3	V75 G81 G82 V107	V75-G79 PolarHBondContact O-N 3.16Å; G79-G81 PolarHBondContact O-N 3.08Å; G79-G82 PolarHBondContact O-N 3.08Å; G79-V107 WeakPolarHBondContact O-CG1 3.29Å
80	E	96.3	Very high	97.9	Very high	187 Å²	187	30.9 Å²	30.9	87%	0.874	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	127.6	-178	-171.6	174.8	-176.9	0	0	111.8	G82	E80-G82 PolarHBondContact O-N 2.92Å
81	G	97	Very high	97.7	Very high	60 Å²	60	31.2 Å²	31.2	62%	0.619	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	7.4	-173.9	0	0	0	0	0	114.3	G79 R106	G79-G81 PolarHBondContact O-N 3.08Å; G81-R106 VanDerWaalsContact CA-O 3.28Å; G81-R106 WeakPolarHBondContact CA-O 3.46Å; G81-R106 PolarHBondContact N-O 2.89Å
82	G	98.1	Very high	97.7	Very high	3 Å²	3	31.2 Å²	31.2	3%	0.031	17%	0.168	C	C	.	.			trans	-70.4	156.4	-175.8	0	0	0	0	0	113.8	G79 E80 V107 S108	G79-G82 PolarHBondContact O-N 3.08Å; E80-G82 PolarHBondContact O-N 2.92Å; G82-V107 WeakPolarHBondContact O-CA 3.34Å; G82-V107 WeakPolarHBondContact O-CB 3.23Å; G82-S108 PolarHBondContact O-N 3.3Å
83	R	98.4	Very high	97.6	Very high	80 Å²	80	27.9 Å²	27.9	30%	0.302	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.8	177.6	-56	-171.8	66.4	-139.6	9.5	111.3	S108 S144 F145 D146 I147	R83-S108 CarbonylContact C-O 3.57Å; R83-S108 WeakPolarHBondContact CA-O 3.35Å; R83-S108 WeakPolarHBondContact CG-OG 3.49Å; R83-S144 WeakPolarHBondContact CD-O 3.39Å; R83-S144 VanDerWaalsContact NH1-CB 3.3Å; R83-S144 PolarHBondContact NH1-O 3.47Å; R83-S144 PolarHBondContact NH1-OG 2.88Å; R83-S144 VanDerWaalsContact NH1-OG 3.1Å; R83-F145 HydrophobicContact CB-CD1 3.85Å; R83-F145 HydrophobicContact CB-CE1 4.37Å; R83-F145 CarbonylContact O-C 3.51Å; R83-D146 PolarHBondContact N-OD2 3.43Å; R83-D146 PolarHBondContact O-N 3.34Å; R83-I147 PolarHBondContact O-N 2.9Å
84	I	98.8	Very high	97.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.4	179.9	-57.1	169.7	0	0	0	109.2	A74 V75 A78 L96 V107 S108 A109 V110 F145 I147	A74-I84 HydrophobicContact CB-CD1 3.98Å; A74-I84 HydrophobicContact CB-CG2 4.13Å; V75-I84 HydrophobicContact CG2-CD1 4.31Å; A78-I84 HydrophobicContact CB-CD1 4.11Å; A78-I84 HydrophobicContact CB-CG1 3.69Å; I84-L96 HydrophobicContact CD1-CD1 4.08Å; I84-L96 HydrophobicContact CD1-CD2 4.06Å; I84-L96 HydrophobicContact CG2-CD1 4Å; I84-V107 HydrophobicContact CD1-CB 4.23Å; I84-V107 HydrophobicContact CD1-CG2 3.9Å; I84-S108 PolarHBondContact N-O 3.32Å; I84-A109 HydrophobicContact CB-CB 4.16Å; I84-A109 VanDerWaalsContact O-CA 3.3Å; I84-A109 WeakPolarHBondContact O-CA 3.45Å; I84-V110 PolarHBondContact O-N 2.98Å; I84-F145 VanDerWaalsContact C-CD1 3.43Å; I84-I147 HydrophobicContact CB-CG2 4.32Å; I84-I147 HydrophobicContact CG1-CG2 3.78Å; I84-I147 HydrophobicContact CG2-CG2 4.23Å
85	A	98.8	Very high	97.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.9	165.6	0	0	0	0	0	109.4	V110 L112 F145 I147 V148 L149 L170	A85-V110 HydrophobicContact CB-CG2 4.28Å; A85-L112 HydrophobicContact CB-CD1 4Å; A85-F145 HydrophobicContact CB-CB 4.27Å; A85-F145 HydrophobicContact CB-CD1 3.63Å; A85-F145 HydrophobicContact CB-CD2 4.08Å; A85-F145 HydrophobicContact CB-CE1 3.92Å; A85-F145 HydrophobicContact CB-CE2 4.35Å; A85-F145 HydrophobicContact CB-CG 3.7Å; A85-F145 HydrophobicContact CB-CZ 4.26Å; A85-I147 PolarHBondContact N-O 3.3Å; A85-I147 VanDerWaalsContact N-O 3.14Å; A85-V148 HydrophobicContact CB-CG1 4.43Å; A85-V148 HydrophobicContact CB-CG2 4.27Å; A85-L149 PolarHBondContact O-N 3.28Å; A85-L149 VanDerWaalsContact O-O 3.1Å; A85-L170 HydrophobicContact CB-CD1 4.25Å
86	C	98.7	Very high	97.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	102.4	170.3	-64.4	0	0	0	0	108.6	A89 V110 V111 L112 L149	C86-A89 HydrophobicContact CB-CB 4.46Å; C86-V110 PolarHBondContact N-O 3.41Å; C86-V111 WeakPolarHBondContact O-CA 3.34Å; C86-L112 PolarHBondContact O-N 2.95Å; C86-L149 CarbonylContact C-O 3.53Å; C86-L149 WeakPolarHBondContact CA-O 3.2Å
87	V	98.8	Very high	97	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	115	179.5	-177.2	0	0	0	0	109.3	A89 L112 Y128 V148 L149 A150 D151 V163 L170	V87-A89 PolarHBondContact O-N 2.89Å; V87-L112 HydrophobicContact CG2-CB 4.37Å; V87-L112 HydrophobicContact CG2-CD1 4.09Å; V87-L112 HydrophobicContact CG2-CD2 4.45Å; V87-Y128 HydrophobicContact CG1-CD1 4.12Å; V87-Y128 HydrophobicContact CG1-CE1 3.59Å; V87-V148 HydrophobicContact CG2-CG1 3.86Å; V87-L149 PolarHBondContact N-O 3.31Å; V87-A150 HydrophobicContact CB-CB 4.02Å; V87-A150 WeakPolarHBondContact O-CA 3.25Å; V87-D151 PolarHBondContact O-N 3.33Å; V87-V163 HydrophobicContact CG1-CG1 4.26Å; V87-L170 HydrophobicContact CG2-CD1 3.94Å
88	S	97.8	Very high	96.7	Very high	19 Å²	19	30.8 Å²	30.8	13%	0.133	17%	0.169	C	C	.	.	S	Bend	trans	57	26.6	-178.8	-58.6	0	0	0	0	114.1	L112 E113 D151	S88-L112 PolarHBondContact N-O 3.36Å; S88-E113 WeakPolarHBondContact CA-OE1 2.86Å; S88-D151 WeakPolarHBondContact CB-O 3.42Å
89	A	97.4	Very high	96.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.			trans	-131.3	65.7	-173.8	0	0	0	0	0	111.7	C86 V87 S91 V92 Y93 L149 D151	C86-A89 HydrophobicContact CB-CB 4.46Å; V87-A89 PolarHBondContact O-N 2.89Å; A89-S91 PolarHBondContact O-N 2.9Å; A89-V92 HydrophobicContact CB-CG2 4.45Å; A89-V92 PolarHBondContact O-N 3.31Å; A89-Y93 PolarHBondContact O-N 3.19Å; A89-L149 HydrophobicContact CB-CD2 3.26Å; A89-D151 HydrophobicContact CB-CB 4.02Å
90	P	96.1	Very high	95.8	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.013	20%	0.198	C	C	.	.	H	α-helix	trans	-74.6	-29.3	-168	29.4	-28.5	0	0	0	112.1	V48 W61 V92 Y93 Q94 V111 E113 F118	V48-P90 HydrophobicContact CG2-CB 4.18Å; V48-P90 WeakPolarHBondContact CG2-O 3.38Å; W61-P90 HydrophobicContact CE3-CG 4.07Å; W61-P90 HydrophobicContact CH2-CG 3.69Å; W61-P90 HydrophobicContact CZ3-CG 3.36Å; P90-V92 VanDerWaalsContact C-N 3.33Å; P90-V92 PolarHBondContact O-N 3.29Å; P90-Y93 PolarHBondContact O-N 3.16Å; P90-Q94 PolarHBondContact O-N 3.15Å; P90-V111 HydrophobicContact CB-CG2 4.35Å; P90-E113 HydrophobicContact CB-CG 4.18Å; P90-E113 WeakPolarHBondContact CD-OE1 3.18Å; P90-E113 HydrophobicContact CG-CG 4.45Å; P90-E113 WeakPolarHBondContact CG-OE1 3.32Å; P90-F118 HydrophobicContact CB-CD1 4.26Å; P90-F118 HydrophobicContact CB-CD2 4.29Å; P90-F118 HydrophobicContact CB-CE1 3.73Å; P90-F118 HydrophobicContact CB-CE2 3.77Å; P90-F118 HydrophobicContact CB-CZ 3.44Å; P90-F118 VanDerWaalsContact CB-CZ 3.44Å; P90-F118 HydrophobicContact CG-CE1 4.36Å; P90-F118 HydrophobicContact CG-CE2 3.8Å; P90-F118 HydrophobicContact CG-CZ 3.6Å
91	S	95.2	Very high	95.6	Very high	7 Å²	7	27 Å²	27	5%	0.049	16%	0.161	C	C	.	.	H	α-helix	trans	-59.8	-39.9	174.4	52.4	0	0	0	0	112.5	Y62 A89 K95	Y62-S91 VanDerWaalsContact CD2-OG 3.31Å; Y62-S91 WeakPolarHBondContact CD2-OG 3.43Å; A89-S91 PolarHBondContact O-N 2.9Å; S91-K95 PolarHBondContact O-N 3.17Å
92	V	97.4	Very high	95.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-71.7	-44.5	175.8	-173	0	0	0	0	110.7	Y62 L70 A71 A89 P90 Q94 K95 L96 L149	Y62-V92 HydrophobicContact CD2-CG2 3.87Å; Y62-V92 HydrophobicContact CE2-CG2 4.18Å; L70-V92 HydrophobicContact CB-CG1 4.07Å; L70-V92 HydrophobicContact CB-CG2 3.95Å; L70-V92 HydrophobicContact CD1-CG2 3.93Å; A71-V92 HydrophobicContact CB-CG1 3.88Å; A89-V92 HydrophobicContact CB-CG2 4.45Å; A89-V92 PolarHBondContact O-N 3.31Å; P90-V92 VanDerWaalsContact C-N 3.33Å; P90-V92 PolarHBondContact O-N 3.29Å; V92-Q94 VanDerWaalsContact C-N 3.26Å; V92-Q94 PolarHBondContact O-N 3.35Å; V92-K95 WeakPolarHBondContact O-CB 3.46Å; V92-K95 PolarHBondContact O-N 3.08Å; V92-K95 VanDerWaalsContact O-N 3.08Å; V92-L96 PolarHBondContact O-N 3.2Å; V92-L149 HydrophobicContact CB-CD1 4.38Å; V92-L149 HydrophobicContact CB-CD2 4.33Å; V92-L149 HydrophobicContact CG1-CD1 3.79Å; V92-L149 HydrophobicContact CG2-CD1 4.28Å; V92-L149 HydrophobicContact CG2-CD2 4.13Å
93	Y	97.5	Very high	95.1	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-56.6	-41.4	176	171.6	-95.4	0	0	0	112	A89 P90 K95 L96 K97 A109 V111 Y121 D124	A89-Y93 PolarHBondContact O-N 3.19Å; P90-Y93 PolarHBondContact O-N 3.16Å; Y93-K95 VanDerWaalsContact C-N 3.29Å; Y93-K95 PolarHBondContact O-N 3.47Å; Y93-L96 WeakPolarHBondContact O-CB 3.13Å; Y93-L96 PolarHBondContact O-N 3.46Å; Y93-L96 VanDerWaalsContact O-N 3.17Å; Y93-K97 HydrophobicContact CE1-CB 4.18Å; Y93-K97 PolarHBondContact O-N 2.68Å; Y93-A109 HydrophobicContact CD2-CB 4.08Å; Y93-A109 HydrophobicContact CE2-CB 4.09Å; Y93-V111 HydrophobicContact CD1-CB 3.93Å; Y93-V111 HydrophobicContact CD1-CG1 3.84Å; Y93-V111 HydrophobicContact CD2-CB 3.86Å; Y93-V111 HydrophobicContact CD2-CG1 4.27Å; Y93-V111 HydrophobicContact CE1-CB 4.47Å; Y93-V111 HydrophobicContact CE1-CG1 3.96Å; Y93-V111 HydrophobicContact CE2-CB 4.4Å; Y93-V111 HydrophobicContact CE2-CG1 4.37Å; Y93-V111 HydrophobicContact CG-CB 3.61Å; Y93-V111 HydrophobicContact CG-CG1 4.02Å; Y93-V111 HydrophobicContact CG-CG2 4.34Å; Y93-Y121 AromaticContact CD1-CD2 3.97Å; Y93-Y121 HydrophobicContact CD1-CD2 3.97Å; Y93-Y121 HydrophobicContact CD1-CE1 4.31Å; Y93-Y121 AromaticContact CD1-CE2 3.65Å; Y93-Y121 HydrophobicContact CD1-CE2 3.65Å; Y93-Y121 HydrophobicContact CD1-CG 4.4Å; Y93-Y121 AromaticContact CD1-CZ 3.84Å; Y93-Y121 AromaticContact CE1-CD1 3.64Å; Y93-Y121 HydrophobicContact CE1-CD1 3.64Å; Y93-Y121 AromaticContact CE1-CD2 3.51Å; Y93-Y121 HydrophobicContact CE1-CD2 3.51Å; Y93-Y121 AromaticContact CE1-CE1 3.72Å; Y93-Y121 HydrophobicContact CE1-CE1 3.72Å; Y93-Y121 AromaticContact CE1-CE2 3.58Å; Y93-Y121 HydrophobicContact CE1-CE2 3.58Å; Y93-Y121 AromaticContact CE1-CG 3.52Å; Y93-Y121 HydrophobicContact CE1-CG 3.52Å; Y93-Y121 AromaticContact CE1-CZ 3.69Å; Y93-D124 HydrophobicContact CE2-CB 4.08Å; Y93-D124 WeakPolarHBondContact OH-CB 3.18Å; Y93-D124 PolarHBondContact OH-OD2 3.38Å
94	Q	95.1	Very high	94.8	Very high	24 Å²	24	27.3 Å²	27.3	11%	0.112	16%	0.155	C	C	.	.	H	α-helix	trans	-57.8	-42	176.7	-172.3	-165.1	-16.9	0	0	111.8	A47 V48 P90 V92 L96 K97 Q98	A47-Q94 VanDerWaalsContact CA-NE2 3.28Å; V48-Q94 HydrophobicContact CG2-CB 3.81Å; V48-Q94 HydrophobicContact CG2-CG 4.31Å; V48-Q94 VanDerWaalsContact N-CD 3.26Å; P90-Q94 PolarHBondContact O-N 3.15Å; V92-Q94 VanDerWaalsContact C-N 3.26Å; V92-Q94 PolarHBondContact O-N 3.35Å; Q94-L96 VanDerWaalsContact C-N 3.34Å; Q94-L96 PolarHBondContact O-N 2.93Å; Q94-K97 PolarHBondContact O-N 3.17Å; Q94-Q98 HydrophobicContact CG-CG 4.3Å; Q94-Q98 WeakPolarHBondContact O-CB 3.25Å; Q94-Q98 VanDerWaalsContact O-CG 3.29Å; Q94-Q98 WeakPolarHBondContact O-CG 3.49Å; Q94-Q98 PolarHBondContact O-N 2.78Å
95	K	95.4	Very high	94.5	Very high	15 Å²	15	34 Å²	34	7%	0.065	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-39.9	177.8	-68.5	-69.2	174.2	-173.2	0	112.5	D64 A67 A68 A71 S91 V92 Y93 G99 V100	D64-K95 VanDerWaalsContact OD1-CE 3.28Å; D64-K95 WeakPolarHBondContact OD1-CE 3.39Å; D64-K95 IonicContact OD1-NZ 3.78Å; D64-K95 PolarHBondContact OD1-NZ 3.42Å; D64-K95 IonicContact OD2-NZ 2.65Å; D64-K95 PolarHBondContact OD2-NZ 2.92Å; A67-K95 HydrophobicContact CB-CG 3.71Å; A68-K95 HydrophobicContact CB-CD 4.43Å; A71-K95 HydrophobicContact CB-CB 3.8Å; S91-K95 PolarHBondContact O-N 3.17Å; V92-K95 WeakPolarHBondContact O-CB 3.46Å; V92-K95 PolarHBondContact O-N 3.08Å; V92-K95 VanDerWaalsContact O-N 3.08Å; Y93-K95 VanDerWaalsContact C-N 3.29Å; Y93-K95 PolarHBondContact O-N 3.47Å; K95-G99 PolarHBondContact O-N 3.47Å; K95-V100 HydrophobicContact CB-CG2 4.32Å; K95-V100 HydrophobicContact CD-CG2 3.7Å
96	L	95.8	Very high	94.3	Very high	11 Å²	11	39.6 Å²	39.6	6%	0.058	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-46.7	172.7	-62.1	170.3	0	0	0	110.6	A71 V75 I84 V92 Y93 Q94 Q98 G99 A109	A71-L96 HydrophobicContact CB-CD2 3.77Å; A71-L96 HydrophobicContact CB-CG 3.98Å; V75-L96 HydrophobicContact CG2-CD2 3.48Å; V75-L96 VanDerWaalsContact CG2-CD2 3.48Å; I84-L96 HydrophobicContact CD1-CD1 4.08Å; I84-L96 HydrophobicContact CD1-CD2 4.06Å; I84-L96 HydrophobicContact CG2-CD1 4Å; V92-L96 PolarHBondContact O-N 3.2Å; Y93-L96 WeakPolarHBondContact O-CB 3.13Å; Y93-L96 PolarHBondContact O-N 3.46Å; Y93-L96 VanDerWaalsContact O-N 3.17Å; Q94-L96 VanDerWaalsContact C-N 3.34Å; Q94-L96 PolarHBondContact O-N 2.93Å; L96-Q98 PolarHBondContact O-N 3.48Å; L96-G99 PolarHBondContact O-N 2.87Å; L96-G99 VanDerWaalsContact O-N 3.16Å; L96-A109 HydrophobicContact CB-CB 4.33Å; L96-A109 HydrophobicContact CD1-CB 3.79Å
97	K	93.7	Very high	94.3	Very high	118 Å²	118	40.8 Å²	40.8	51%	0.513	22%	0.219	S	C	.	.	H	α-helix	trans	-67.7	-35.7	-176.9	-169.7	61.5	172.9	-166.3	0	113.5	Y93 Q94 G99 D124	Y93-K97 HydrophobicContact CE1-CB 4.18Å; Y93-K97 PolarHBondContact O-N 2.68Å; Q94-K97 PolarHBondContact O-N 3.17Å; K97-G99 PolarHBondContact O-N 2.98Å; K97-D124 IonicContact NZ-OD2 3.05Å; K97-D124 PolarHBondContact NZ-OD2 3.45Å
98	Q	91.3	Very high	94.2	Very high	75 Å²	75	43.6 Å²	43.6	35%	0.35	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-14	176.1	-72	178.2	-26.8	0	0	112.9	Q94 L96 V100	Q94-Q98 HydrophobicContact CG-CG 4.3Å; Q94-Q98 WeakPolarHBondContact O-CB 3.25Å; Q94-Q98 VanDerWaalsContact O-CG 3.29Å; Q94-Q98 WeakPolarHBondContact O-CG 3.49Å; Q94-Q98 PolarHBondContact O-N 2.78Å; L96-Q98 PolarHBondContact O-N 3.48Å; Q98-V100 HydrophobicContact CB-CG1 3.92Å; Q98-V100 HydrophobicContact CB-CG2 4.44Å; Q98-V100 PolarHBondContact O-N 2.9Å
99	G	87.7	Confident	94.2	Very high	48 Å²	48	43.5 Å²	43.5	50%	0.495	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	23.1	-180	0	0	0	0	0	113.8	K95 L96 K97 V101	K95-G99 PolarHBondContact O-N 3.47Å; L96-G99 PolarHBondContact O-N 2.87Å; L96-G99 VanDerWaalsContact O-N 3.16Å; K97-G99 PolarHBondContact O-N 2.98Å; G99-V101 VanDerWaalsContact C-N 3.26Å; G99-V101 PolarHBondContact O-N 3.21Å
100	V	87.9	Confident	94.3	Very high	89 Å²	89	44.5 Å²	44.5	54%	0.539	25%	0.245	S	C	.	.			trans	-79	-11.4	-178.5	-64.4	0	0	0	0	113.1	K95 Q98	K95-V100 HydrophobicContact CB-CG2 4.32Å; K95-V100 HydrophobicContact CD-CG2 3.7Å; Q98-V100 HydrophobicContact CB-CG1 3.92Å; Q98-V100 HydrophobicContact CB-CG2 4.44Å; Q98-V100 PolarHBondContact O-N 2.9Å
101	V	90.8	Very high	94.4	Very high	15 Å²	15	44.4 Å²	44.4	9%	0.091	25%	0.245	C	C	.	.	S	Bend	trans	-102.3	131.8	177.4	172.7	0	0	0	0	109.2	A71 E72 V75 G99 G103 S104	A71-V101 HydrophobicContact CB-CG2 3.88Å; E72-V101 VanDerWaalsContact CA-CG1 3.45Å; E72-V101 HydrophobicContact CB-CG1 3.85Å; E72-V101 HydrophobicContact CG-CG1 4.21Å; V75-V101 HydrophobicContact CB-CG1 4.42Å; V75-V101 HydrophobicContact CG2-CG1 4.09Å; G99-V101 VanDerWaalsContact C-N 3.26Å; G99-V101 PolarHBondContact O-N 3.21Å; V101-G103 PolarHBondContact O-N 2.6Å; V101-S104 WeakPolarHBondContact CB-OG 3.31Å; V101-S104 WeakPolarHBondContact O-CB 3.26Å; V101-S104 PolarHBondContact O-N 2.91Å; V101-S104 VanDerWaalsContact O-N 3.15Å; V101-S104 PolarHBondContact O-OG 3.16Å
102	D	92.3	Very high	94.6	Very high	133 Å²	133	44.1 Å²	44.1	71%	0.711	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	131.7	178.3	-177.1	41.1	0	0	0	111.3	V75 R106	V75-D102 WeakPolarHBondContact CG1-O 3.25Å; D102-R106 VanDerWaalsContact CG-NH2 3.28Å; D102-R106 IonicContact OD1-NH2 3.09Å; D102-R106 PolarHBondContact OD1-NH2 2.9Å; D102-R106 IonicContact OD2-NH2 2.67Å; D102-R106 PolarHBondContact OD2-NH2 3.46Å; D102-R106 VanDerWaalsContact OD2-NH2 3.09Å
103	G	92.6	Very high	94.6	Very high	3 Å²	3	44.7 Å²	44.7	3%	0.031	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	2.9	-178.8	0	0	0	0	0	116	V101 D105 R106	V101-G103 PolarHBondContact O-N 2.6Å; G103-D105 WeakPolarHBondContact CA-OD1 3.16Å; G103-D105 PolarHBondContact O-N 2.9Å; G103-R106 WeakPolarHBondContact O-CB 3.41Å; G103-R106 WeakPolarHBondContact O-CG 3.44Å; G103-R106 PolarHBondContact O-N 3.38Å
104	S	92.3	Very high	94.5	Very high	13 Å²	13	50.1 Å²	50.1	9%	0.091	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-58.5	-29.3	173.4	-60.1	0	0	0	0	112.8	V101 R106 V107	V101-S104 WeakPolarHBondContact CB-OG 3.31Å; V101-S104 WeakPolarHBondContact O-CB 3.26Å; V101-S104 PolarHBondContact O-N 2.91Å; V101-S104 VanDerWaalsContact O-N 3.15Å; V101-S104 PolarHBondContact O-OG 3.16Å; S104-R106 PolarHBondContact O-N 3.38Å; S104-V107 WeakPolarHBondContact O-CG2 3.46Å
105	D	93.1	Very high	94.5	Very high	140 Å²	140	49.4 Å²	49.4	75%	0.749	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-69.9	-15	175.7	63.2	-44.8	0	0	0	113.7	G103	G103-D105 WeakPolarHBondContact CA-OD1 3.16Å; G103-D105 PolarHBondContact O-N 2.9Å
106	R	94.7	Very high	94.4	Very high	118 Å²	118	56.2 Å²	56.2	45%	0.445	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-98.7	-5.7	-175.7	-39.7	176.8	-158.4	152.4	12.8	112.5	G81 D102 G103 S104	G81-R106 VanDerWaalsContact CA-O 3.28Å; G81-R106 WeakPolarHBondContact CA-O 3.46Å; G81-R106 PolarHBondContact N-O 2.89Å; D102-R106 VanDerWaalsContact CG-NH2 3.28Å; D102-R106 IonicContact OD1-NH2 3.09Å; D102-R106 PolarHBondContact OD1-NH2 2.9Å; D102-R106 IonicContact OD2-NH2 2.67Å; D102-R106 PolarHBondContact OD2-NH2 3.46Å; D102-R106 VanDerWaalsContact OD2-NH2 3.09Å; G103-R106 WeakPolarHBondContact O-CB 3.41Å; G103-R106 WeakPolarHBondContact O-CG 3.44Å; G103-R106 PolarHBondContact O-N 3.38Å; S104-R106 PolarHBondContact O-N 3.38Å
107	V	97.7	Very high	94.3	Very high	25 Å²	25	60.9 Å²	60.9	15%	0.152	31%	0.305	C	S	.	.	S	Bend	trans	-121.6	164.7	-177.5	-63	0	0	0	0	110.5	V75 A78 G79 G82 I84 S104	V75-V107 HydrophobicContact CG1-CG1 4.39Å; V75-V107 HydrophobicContact CG2-CG2 4.08Å; A78-V107 HydrophobicContact CB-CG1 4.01Å; G79-V107 WeakPolarHBondContact O-CG1 3.29Å; G82-V107 WeakPolarHBondContact O-CA 3.34Å; G82-V107 WeakPolarHBondContact O-CB 3.23Å; I84-V107 HydrophobicContact CD1-CB 4.23Å; I84-V107 HydrophobicContact CD1-CG2 3.9Å; S104-V107 WeakPolarHBondContact O-CG2 3.46Å
108	S	97.4	Very high	94.2	Very high	59 Å²	59	55.4 Å²	55.4	41%	0.413	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144.5	165.9	57.1	0	0	0	0	109.7	G82 R83 I84	G82-S108 PolarHBondContact O-N 3.3Å; R83-S108 CarbonylContact C-O 3.57Å; R83-S108 WeakPolarHBondContact CA-O 3.35Å; R83-S108 WeakPolarHBondContact CG-OG 3.49Å; I84-S108 PolarHBondContact N-O 3.32Å
109	A	97.9	Very high	94.3	Very high	17 Å²	17	54.2 Å²	54.2	14%	0.14	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.1	-178.7	0	0	0	0	0	110.4	I84 Y93 L96	I84-A109 HydrophobicContact CB-CB 4.16Å; I84-A109 VanDerWaalsContact O-CA 3.3Å; I84-A109 WeakPolarHBondContact O-CA 3.45Å; Y93-A109 HydrophobicContact CD2-CB 4.08Å; Y93-A109 HydrophobicContact CE2-CB 4.09Å; L96-A109 HydrophobicContact CB-CB 4.33Å; L96-A109 HydrophobicContact CD1-CB 3.79Å
110	V	98.3	Very high	94.4	Very high	21 Å²	21	54.4 Å²	54.4	13%	0.127	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	154.8	168.2	-57.1	0	0	0	0	109.6	I84 A85 C86 L112 D124 F145	I84-V110 PolarHBondContact O-N 2.98Å; A85-V110 HydrophobicContact CB-CG2 4.28Å; C86-V110 PolarHBondContact N-O 3.41Å; V110-L112 HydrophobicContact CG2-CD1 3.89Å; V110-D124 CarbonylContact C-O 3.42Å; V110-D124 VanDerWaalsContact CA-O 3.29Å; V110-D124 WeakPolarHBondContact CA-O 3.35Å; V110-D124 WeakPolarHBondContact CB-O 3.27Å; V110-F145 HydrophobicContact CG1-CE1 4.47Å; V110-F145 HydrophobicContact CG2-CE1 3.5Å; V110-F145 HydrophobicContact CG2-CZ 3.55Å
111	V	98.3	Very high	94.5	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.9	174.1	58.3	0	0	0	0	110.1	C86 P90 Y93 E113 Y121 D124 F125 V126	C86-V111 WeakPolarHBondContact O-CA 3.34Å; P90-V111 HydrophobicContact CB-CG2 4.35Å; Y93-V111 HydrophobicContact CD1-CB 3.93Å; Y93-V111 HydrophobicContact CD1-CG1 3.84Å; Y93-V111 HydrophobicContact CD2-CB 3.86Å; Y93-V111 HydrophobicContact CD2-CG1 4.27Å; Y93-V111 HydrophobicContact CE1-CB 4.47Å; Y93-V111 HydrophobicContact CE1-CG1 3.96Å; Y93-V111 HydrophobicContact CE2-CB 4.4Å; Y93-V111 HydrophobicContact CE2-CG1 4.37Å; Y93-V111 HydrophobicContact CG-CB 3.61Å; Y93-V111 HydrophobicContact CG-CG1 4.02Å; Y93-V111 HydrophobicContact CG-CG2 4.34Å; V111-E113 HydrophobicContact CG2-CB 4.16Å; V111-E113 HydrophobicContact CG2-CG 3.52Å; V111-Y121 HydrophobicContact CG1-CD2 3.81Å; V111-Y121 HydrophobicContact CG1-CE2 4.36Å; V111-D124 PolarHBondContact N-O 3.45Å; V111-F125 HydrophobicContact CG1-CB 4.45Å; V111-F125 HydrophobicContact CG1-CD2 4.32Å; V111-V126 PolarHBondContact O-N 2.86Å
112	L	98.5	Very high	94.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	108.2	173.5	-69.4	87.8	0	0	0	107.8	A85 C86 V87 S88 V110 V126 Y128 L136 T166 L170	A85-L112 HydrophobicContact CB-CD1 4Å; C86-L112 PolarHBondContact O-N 2.95Å; V87-L112 HydrophobicContact CG2-CB 4.37Å; V87-L112 HydrophobicContact CG2-CD1 4.09Å; V87-L112 HydrophobicContact CG2-CD2 4.45Å; S88-L112 PolarHBondContact N-O 3.36Å; V110-L112 HydrophobicContact CG2-CD1 3.89Å; L112-V126 WeakPolarHBondContact CA-O 3.48Å; L112-V126 HydrophobicContact CD2-CG1 4.33Å; L112-V126 HydrophobicContact CG-CB 4.04Å; L112-V126 HydrophobicContact CG-CG1 4.14Å; L112-Y128 HydrophobicContact CB-CD1 4.22Å; L112-Y128 HydrophobicContact CB-CG 3.98Å; L112-Y128 HydrophobicContact CD2-CD2 4.29Å; L112-Y128 HydrophobicContact CD2-CG 4.38Å; L112-L136 HydrophobicContact CD2-CD2 3.77Å; L112-T166 HydrophobicContact CD2-CG2 4.34Å; L112-L170 HydrophobicContact CD1-CD1 4.25Å; L112-L170 HydrophobicContact CD2-CD1 3.84Å
113	E	97.5	Very high	94.7	Very high	12 Å²	12	54.7 Å²	54.7	6%	0.056	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.3	-171.1	-95.4	-63.6	164.8	0	0	113.2	S88 P90 V111 F118 F125 V126 F127 Y128	S88-E113 WeakPolarHBondContact CA-OE1 2.86Å; P90-E113 HydrophobicContact CB-CG 4.18Å; P90-E113 WeakPolarHBondContact CD-OE1 3.18Å; P90-E113 HydrophobicContact CG-CG 4.45Å; P90-E113 WeakPolarHBondContact CG-OE1 3.32Å; V111-E113 HydrophobicContact CG2-CB 4.16Å; V111-E113 HydrophobicContact CG2-CG 3.52Å; E113-F118 HydrophobicContact CB-CB 4.45Å; E113-F118 HydrophobicContact CB-CD2 3.96Å; E113-F118 HydrophobicContact CG-CD2 3.8Å; E113-F118 HydrophobicContact CG-CE2 4.24Å; E113-F118 HydrophobicContact CG-CG 4.49Å; E113-F125 HydrophobicContact CB-CD2 4.36Å; E113-F125 HydrophobicContact CB-CE2 3.77Å; E113-V126 PolarHBondContact N-O 3.34Å; E113-F127 WeakPolarHBondContact O-CA 3.15Å; E113-Y128 CarbonylContact C-O 3.55Å; E113-Y128 PolarHBondContact O-N 3.33Å
114	Y	96.2	Very high	94.8	Very high	116 Å²	116	56.7 Å²	56.7	46%	0.455	30%	0.298	S	S	.	.	S	Bend	trans	-79.9	-32.6	176.3	-175.9	-109.4	0	0	0	110.8	M57 R116 F127 Y128 D129	M57-Y114 HydrophobicContact CE-CD1 3.31Å; M57-Y114 HydrophobicContact CE-CE1 3.71Å; M57-Y114 HydrophobicContact CE-CG 4.37Å; Y114-R116 PolarHBondContact O-N 3.31Å; Y114-R116 VanDerWaalsContact O-N 3.16Å; Y114-F127 AromaticContact CD2-CE2 3.92Å; Y114-F127 HydrophobicContact CD2-CE2 3.92Å; Y114-F127 AromaticContact CD2-CZ 3.79Å; Y114-F127 HydrophobicContact CD2-CZ 3.79Å; Y114-F127 HydrophobicContact CE2-CE2 4.19Å; Y114-F127 AromaticContact CE2-CZ 3.79Å; Y114-F127 HydrophobicContact CE2-CZ 3.79Å; Y114-F127 VanDerWaalsContact O-CE2 3.25Å; Y114-F127 WeakPolarHBondContact O-CE2 3.36Å; Y114-Y128 WeakPolarHBondContact CA-O 3.29Å; Y114-Y128 VanDerWaalsContact CB-O 3.31Å; Y114-Y128 WeakPolarHBondContact CB-O 3.34Å; Y114-Y128 PolarHBondContact N-O 3.44Å; Y114-D129 HydrophobicContact CD2-CB 3.94Å; Y114-D129 HydrophobicContact CE2-CB 4.12Å
115	D	94.6	Very high	95.1	Very high	9 Å²	9	57.5 Å²	57.5	5%	0.048	30%	0.3	C	S	.	.			trans	-74.5	109	-179.9	-172.7	-10.3	0	0	0	112	M57 Q59 R117 F118	M57-D115 HydrophobicContact CE-CB 3.73Å; M57-D115 HydrophobicContact SD-CB 4.27Å; Q59-D115 VanDerWaalsContact NE2-CB 3.32Å; Q59-D115 PolarHBondContact NE2-OD2 2.94Å; D115-R117 PolarHBondContact O-N 3.44Å; D115-R117 VanDerWaalsContact O-N 3.08Å; D115-R117 VanDerWaalsContact OD1-CB 3.23Å; D115-R117 WeakPolarHBondContact OD1-CB 3.37Å; D115-R117 WeakPolarHBondContact OD1-CG 3.37Å; D115-R117 PolarHBondContact OD1-N 2.95Å; D115-R117 IonicContact OD1-NE 2.82Å; D115-R117 PolarHBondContact OD1-NE 2.67Å; D115-R117 VanDerWaalsContact OD1-NE 3.14Å; D115-R117 IonicContact OD2-CZ 2.6Å; D115-R117 IonicContact OD2-NE 3.11Å; D115-R117 PolarHBondContact OD2-NE 2.93Å; D115-R117 IonicContact OD2-NH2 3.14Å; D115-R117 PolarHBondContact OD2-NH2 3.36Å; D115-F118 HydrophobicContact CB-CD2 3.87Å; D115-F118 HydrophobicContact CB-CE2 4.03Å; D115-F118 WeakPolarHBondContact O-CD2 3.34Å; D115-F118 PolarHBondContact O-N 2.96Å; D115-F118 VanDerWaalsContact O-N 3.08Å
116	R	94	Very high	95.3	Very high	159 Å²	159	51.4 Å²	51.4	60%	0.6	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-64.5	-12.1	-179.1	-65.6	-177.5	176.4	-80.8	-5.7	113.6	Y114 F118 A119 F127	Y114-R116 PolarHBondContact O-N 3.31Å; Y114-R116 VanDerWaalsContact O-N 3.16Å; R116-F118 PolarHBondContact O-N 2.81Å; R116-A119 WeakPolarHBondContact O-CB 3.22Å; R116-A119 PolarHBondContact O-N 3.12Å; R116-F127 HydrophobicContact CG-CD2 3.84Å; R116-F127 HydrophobicContact CG-CE2 3.98Å
117	R	92.6	Very high	95.4	Very high	108 Å²	108	49 Å²	49	41%	0.408	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-59.8	-31.1	171.2	-65.9	-179.8	-69.6	169.4	1.1	111.3	V51 E52 D115 A119 A120	V51-R117 HydrophobicContact CG1-CB 4.26Å; E52-R117 PolarHBondContact O-NH1 2.95Å; E52-R117 PolarHBondContact O-NH2 3.24Å; D115-R117 PolarHBondContact O-N 3.44Å; D115-R117 VanDerWaalsContact O-N 3.08Å; D115-R117 VanDerWaalsContact OD1-CB 3.23Å; D115-R117 WeakPolarHBondContact OD1-CB 3.37Å; D115-R117 WeakPolarHBondContact OD1-CG 3.37Å; D115-R117 PolarHBondContact OD1-N 2.95Å; D115-R117 IonicContact OD1-NE 2.82Å; D115-R117 PolarHBondContact OD1-NE 2.67Å; D115-R117 VanDerWaalsContact OD1-NE 3.14Å; D115-R117 IonicContact OD2-CZ 2.6Å; D115-R117 IonicContact OD2-NE 3.11Å; D115-R117 PolarHBondContact OD2-NE 2.93Å; D115-R117 IonicContact OD2-NH2 3.14Å; D115-R117 PolarHBondContact OD2-NH2 3.36Å; R117-A119 PolarHBondContact O-N 2.85Å; R117-A120 PolarHBondContact O-N 2.82Å
118	F	92.6	Very high	95.5	Very high	3 Å²	3	48 Å²	48	1%	0.013	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-71.7	-4.8	175.3	-65	-61.3	0	0	0	114.3	V48 V51 W61 P90 E113 D115 R116 A120 Y121 F125	V48-F118 HydrophobicContact CG2-CE1 3.94Å; V48-F118 HydrophobicContact CG2-CZ 4.43Å; V51-F118 HydrophobicContact CB-CE1 4.26Å; V51-F118 HydrophobicContact CB-CZ 4.32Å; V51-F118 HydrophobicContact CG1-CE1 4.33Å; V51-F118 HydrophobicContact CG1-CZ 4.02Å; V51-F118 HydrophobicContact CG2-CE1 4.04Å; W61-F118 HydrophobicContact CH2-CE2 4.15Å; W61-F118 AromaticContact CH2-CZ 3.95Å; W61-F118 HydrophobicContact CH2-CZ 3.95Å; W61-F118 HydrophobicContact CZ2-CZ 4.14Å; P90-F118 HydrophobicContact CB-CD1 4.26Å; P90-F118 HydrophobicContact CB-CD2 4.29Å; P90-F118 HydrophobicContact CB-CE1 3.73Å; P90-F118 HydrophobicContact CB-CE2 3.77Å; P90-F118 HydrophobicContact CB-CZ 3.44Å; P90-F118 VanDerWaalsContact CB-CZ 3.44Å; P90-F118 HydrophobicContact CG-CE1 4.36Å; P90-F118 HydrophobicContact CG-CE2 3.8Å; P90-F118 HydrophobicContact CG-CZ 3.6Å; E113-F118 HydrophobicContact CB-CB 4.45Å; E113-F118 HydrophobicContact CB-CD2 3.96Å; E113-F118 HydrophobicContact CG-CD2 3.8Å; E113-F118 HydrophobicContact CG-CE2 4.24Å; E113-F118 HydrophobicContact CG-CG 4.49Å; D115-F118 HydrophobicContact CB-CD2 3.87Å; D115-F118 HydrophobicContact CB-CE2 4.03Å; D115-F118 WeakPolarHBondContact O-CD2 3.34Å; D115-F118 PolarHBondContact O-N 2.96Å; D115-F118 VanDerWaalsContact O-N 3.08Å; R116-F118 PolarHBondContact O-N 2.81Å; F118-A120 PolarHBondContact O-N 3.14Å; F118-Y121 HydrophobicContact CB-CD2 4.02Å; F118-Y121 HydrophobicContact CB-CE2 4.17Å; F118-Y121 HydrophobicContact CD1-CD2 4.16Å; F118-Y121 AromaticContact CD1-CE2 3.45Å; F118-Y121 HydrophobicContact CD1-CE2 3.45Å; F118-Y121 VanDerWaalsContact CD1-CE2 3.45Å; F118-Y121 HydrophobicContact CE1-CE2 4.27Å; F118-Y121 HydrophobicContact CG-CE2 4.2Å; F118-Y121 VanDerWaalsContact O-CD2 3.26Å; F118-Y121 WeakPolarHBondContact O-CD2 3.43Å; F118-Y121 PolarHBondContact O-N 3.2Å; F118-F125 VanDerWaalsContact C-CD2 3.5Å; F118-F125 HydrophobicContact CB-CD2 3.65Å; F118-F125 HydrophobicContact CB-CE2 3.75Å; F118-F125 WeakPolarHBondContact O-CB 3.48Å; F118-F125 WeakPolarHBondContact O-CD2 3.45Å
119	A	92.5	Very high	95.5	Very high	50 Å²	50	47.3 Å²	47.3	41%	0.413	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-59.7	-13.4	168.8	0	0	0	0	0	113.2	R116 R117 Y121 A122 F125	R116-A119 WeakPolarHBondContact O-CB 3.22Å; R116-A119 PolarHBondContact O-N 3.12Å; R117-A119 PolarHBondContact O-N 2.85Å; A119-Y121 PolarHBondContact O-N 3.3Å; A119-A122 PolarHBondContact O-N 3.16Å; A119-F125 HydrophobicContact CB-CD1 3.82Å; A119-F125 HydrophobicContact CB-CE1 3.9Å; A119-F125 HydrophobicContact CB-CG 4.44Å
120	A	89.9	Confident	95.4	Very high	52 Å²	52	48.3 Å²	48.3	43%	0.43	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-55.4	-24.5	167.6	0	0	0	0	0	113.3	F46 R117 F118 A122	F46-A120 HydrophobicContact CD1-CB 3.85Å; F46-A120 HydrophobicContact CE1-CB 3.93Å; F46-A120 WeakPolarHBondContact CE1-O 3.45Å; R117-A120 PolarHBondContact O-N 2.82Å; F118-A120 PolarHBondContact O-N 3.14Å; A120-A122 PolarHBondContact O-N 2.79Å
121	Y	90.9	Very high	95.3	Very high	17 Å²	17	50.5 Å²	50.5	7%	0.067	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-78.5	2.9	174.5	-58.7	-55.6	0	0	0	114.5	F46 Y93 V111 F118 A119 D123 D124	F46-Y121 HydrophobicContact CB-CD1 4.48Å; F46-Y121 HydrophobicContact CB-CE1 3.92Å; F46-Y121 PolarHBondContact O-OH 2.88Å; Y93-Y121 AromaticContact CD1-CD2 3.97Å; Y93-Y121 HydrophobicContact CD1-CD2 3.97Å; Y93-Y121 HydrophobicContact CD1-CE1 4.31Å; Y93-Y121 AromaticContact CD1-CE2 3.65Å; Y93-Y121 HydrophobicContact CD1-CE2 3.65Å; Y93-Y121 HydrophobicContact CD1-CG 4.4Å; Y93-Y121 AromaticContact CD1-CZ 3.84Å; Y93-Y121 AromaticContact CE1-CD1 3.64Å; Y93-Y121 HydrophobicContact CE1-CD1 3.64Å; Y93-Y121 AromaticContact CE1-CD2 3.51Å; Y93-Y121 HydrophobicContact CE1-CD2 3.51Å; Y93-Y121 AromaticContact CE1-CE1 3.72Å; Y93-Y121 HydrophobicContact CE1-CE1 3.72Å; Y93-Y121 AromaticContact CE1-CE2 3.58Å; Y93-Y121 HydrophobicContact CE1-CE2 3.58Å; Y93-Y121 AromaticContact CE1-CG 3.52Å; Y93-Y121 HydrophobicContact CE1-CG 3.52Å; Y93-Y121 AromaticContact CE1-CZ 3.69Å; V111-Y121 HydrophobicContact CG1-CD2 3.81Å; V111-Y121 HydrophobicContact CG1-CE2 4.36Å; F118-Y121 HydrophobicContact CB-CD2 4.02Å; F118-Y121 HydrophobicContact CB-CE2 4.17Å; F118-Y121 HydrophobicContact CD1-CD2 4.16Å; F118-Y121 AromaticContact CD1-CE2 3.45Å; F118-Y121 HydrophobicContact CD1-CE2 3.45Å; F118-Y121 VanDerWaalsContact CD1-CE2 3.45Å; F118-Y121 HydrophobicContact CE1-CE2 4.27Å; F118-Y121 HydrophobicContact CG-CE2 4.2Å; F118-Y121 VanDerWaalsContact O-CD2 3.26Å; F118-Y121 WeakPolarHBondContact O-CD2 3.43Å; F118-Y121 PolarHBondContact O-N 3.2Å; A119-Y121 PolarHBondContact O-N 3.3Å; Y121-D123 PolarHBondContact O-N 2.89Å; Y121-D124 PolarHBondContact O-N 2.97Å
122	A	93.4	Very high	95.3	Very high	67 Å²	67	56.5 Å²	56.5	55%	0.554	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	52.7	-120.4	175	0	0	0	0	0	112.9	A119 A120 D124 F125	A119-A122 PolarHBondContact O-N 3.16Å; A120-A122 PolarHBondContact O-N 2.79Å; A122-D124 PolarHBondContact O-N 3.46Å; A122-D124 VanDerWaalsContact O-N 3.14Å; A122-F125 PolarHBondContact O-N 2.65Å
123	D	93.3	Very high	95.2	Very high	160 Å²	160	57.1 Å²	57.1	86%	0.856	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-63.4	-20.1	-173.7	-63.6	-32.6	0	0	0	113.5	Y121	Y121-D123 PolarHBondContact O-N 2.89Å
124	D	95.6	Very high	95.2	Very high	44 Å²	44	61.2 Å²	61.2	24%	0.235	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-85.1	-10.8	178.3	-59.2	-28.4	0	0	0	112.4	Y93 K97 V110 V111 Y121 A122	Y93-D124 HydrophobicContact CE2-CB 4.08Å; Y93-D124 WeakPolarHBondContact OH-CB 3.18Å; Y93-D124 PolarHBondContact OH-OD2 3.38Å; K97-D124 IonicContact NZ-OD2 3.05Å; K97-D124 PolarHBondContact NZ-OD2 3.45Å; V110-D124 CarbonylContact C-O 3.42Å; V110-D124 VanDerWaalsContact CA-O 3.29Å; V110-D124 WeakPolarHBondContact CA-O 3.35Å; V110-D124 WeakPolarHBondContact CB-O 3.27Å; V111-D124 PolarHBondContact N-O 3.45Å; Y121-D124 PolarHBondContact O-N 2.97Å; A122-D124 PolarHBondContact O-N 3.46Å; A122-D124 VanDerWaalsContact O-N 3.14Å
125	F	97.3	Very high	95.3	Very high	31 Å²	31	59.9 Å²	59.9	14%	0.136	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.2	178.2	171.8	-100.4	0	0	0	112.1	V111 E113 F118 A119 A122 F127	V111-F125 HydrophobicContact CG1-CB 4.45Å; V111-F125 HydrophobicContact CG1-CD2 4.32Å; E113-F125 HydrophobicContact CB-CD2 4.36Å; E113-F125 HydrophobicContact CB-CE2 3.77Å; F118-F125 VanDerWaalsContact C-CD2 3.5Å; F118-F125 HydrophobicContact CB-CD2 3.65Å; F118-F125 HydrophobicContact CB-CE2 3.75Å; F118-F125 WeakPolarHBondContact O-CB 3.48Å; F118-F125 WeakPolarHBondContact O-CD2 3.45Å; A119-F125 HydrophobicContact CB-CD1 3.82Å; A119-F125 HydrophobicContact CB-CE1 3.9Å; A119-F125 HydrophobicContact CB-CG 4.44Å; A122-F125 PolarHBondContact O-N 2.65Å; F125-F127 HydrophobicContact CE1-CB 3.97Å; F125-F127 HydrophobicContact CZ-CB 4.04Å; F125-F127 HydrophobicContact CZ-CD2 4.41Å
126	V	98.1	Very high	95.4	Very high	12 Å²	12	60.8 Å²	60.8	7%	0.073	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	117.1	171.8	176.2	0	0	0	0	108.1	V111 L112 E113 Y128 P137 V140	V111-V126 PolarHBondContact O-N 2.86Å; L112-V126 WeakPolarHBondContact CA-O 3.48Å; L112-V126 HydrophobicContact CD2-CG1 4.33Å; L112-V126 HydrophobicContact CG-CB 4.04Å; L112-V126 HydrophobicContact CG-CG1 4.14Å; E113-V126 PolarHBondContact N-O 3.34Å; V126-Y128 PolarHBondContact O-N 2.96Å; V126-P137 HydrophobicContact CG1-CG 3.92Å; V126-V140 HydrophobicContact CG1-CG2 4.25Å; V126-V140 HydrophobicContact CG2-CG2 3.97Å
127	F	97.8	Very high	95.4	Very high	67 Å²	67	56.3 Å²	56.3	29%	0.294	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	126.2	170.8	177.7	-98.3	0	0	0	109.4	E113 Y114 R116 F125 D129	E113-F127 WeakPolarHBondContact O-CA 3.15Å; Y114-F127 AromaticContact CD2-CE2 3.92Å; Y114-F127 HydrophobicContact CD2-CE2 3.92Å; Y114-F127 AromaticContact CD2-CZ 3.79Å; Y114-F127 HydrophobicContact CD2-CZ 3.79Å; Y114-F127 HydrophobicContact CE2-CE2 4.19Å; Y114-F127 AromaticContact CE2-CZ 3.79Å; Y114-F127 HydrophobicContact CE2-CZ 3.79Å; Y114-F127 VanDerWaalsContact O-CE2 3.25Å; Y114-F127 WeakPolarHBondContact O-CE2 3.36Å; R116-F127 HydrophobicContact CG-CD2 3.84Å; R116-F127 HydrophobicContact CG-CE2 3.98Å; F125-F127 HydrophobicContact CE1-CB 3.97Å; F125-F127 HydrophobicContact CZ-CB 4.04Å; F125-F127 HydrophobicContact CZ-CD2 4.41Å; F127-D129 HydrophobicContact CE1-CB 4.43Å
128	Y	97.9	Very high	95.2	Very high	5 Å²	5	57.5 Å²	57.5	2%	0.02	34%	0.34	C	S	.	.			trans	-136.9	123.9	-174.6	171.2	-112.6	0	0	0	110.4	V87 L112 E113 Y114 V126 L136 T166	V87-Y128 HydrophobicContact CG1-CD1 4.12Å; V87-Y128 HydrophobicContact CG1-CE1 3.59Å; L112-Y128 HydrophobicContact CB-CD1 4.22Å; L112-Y128 HydrophobicContact CB-CG 3.98Å; L112-Y128 HydrophobicContact CD2-CD2 4.29Å; L112-Y128 HydrophobicContact CD2-CG 4.38Å; E113-Y128 CarbonylContact C-O 3.55Å; E113-Y128 PolarHBondContact O-N 3.33Å; Y114-Y128 WeakPolarHBondContact CA-O 3.29Å; Y114-Y128 VanDerWaalsContact CB-O 3.31Å; Y114-Y128 WeakPolarHBondContact CB-O 3.34Å; Y114-Y128 PolarHBondContact N-O 3.44Å; V126-Y128 PolarHBondContact O-N 2.96Å; Y128-L136 HydrophobicContact CD2-CD2 3.99Å; Y128-T166 HydrophobicContact CD2-CG2 4.34Å; Y128-T166 HydrophobicContact CE2-CG2 3.58Å; Y128-T166 WeakPolarHBondContact CE2-OG1 3.41Å; Y128-T166 PolarHBondContact OH-OG1 3.31Å
129	D	97.7	Very high	95	Very high	43 Å²	43	60.5 Å²	60.5	23%	0.23	37%	0.371	C	S	.	.			trans	-114.7	115.4	170.6	-175.2	-12.4	0	0	0	107.7	Y114 F127 N131 E132	Y114-D129 HydrophobicContact CD2-CB 3.94Å; Y114-D129 HydrophobicContact CE2-CB 4.12Å; F127-D129 HydrophobicContact CE1-CB 4.43Å; D129-N131 PolarHBondContact O-N 3.28Å; D129-N131 VanDerWaalsContact O-N 3.11Å; D129-N131 VanDerWaalsContact OD1-CB 3.29Å; D129-N131 WeakPolarHBondContact OD1-CB 3.31Å; D129-N131 PolarHBondContact OD1-N 2.87Å; D129-N131 PolarHBondContact OD1-ND2 3.45Å; D129-E132 CarbonylContact O-C 3.52Å; D129-E132 VanDerWaalsContact O-C 3.25Å; D129-E132 PolarHBondContact O-N 2.96Å
130	Y	96.8	Very high	95.1	Very high	38 Å²	38	58.6 Å²	58.6	15%	0.149	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19	-179.2	81.9	-81.8	0	0	0	112.3	E132 P133 P153 Y154 C159 K162	Y130-E132 PolarHBondContact O-N 3.48Å; Y130-P133 WeakPolarHBondContact O-CD 3.32Å; Y130-P153 HydrophobicContact CD1-CG 4.05Å; Y130-P153 HydrophobicContact CE1-CG 4.32Å; Y130-Y154 AromaticContact CE1-CD2 3.91Å; Y130-Y154 HydrophobicContact CE1-CD2 3.91Å; Y130-Y154 AromaticContact CE1-CE2 3.61Å; Y130-Y154 HydrophobicContact CE1-CE2 3.61Å; Y130-Y154 AromaticContact CZ-CD2 3.77Å; Y130-Y154 AromaticContact CZ-CE2 3.8Å; Y130-Y154 WeakPolarHBondContact OH-CD2 3.25Å; Y130-Y154 WeakPolarHBondContact OH-CE2 3.42Å; Y130-C159 HydrophobicContact CD2-CB 4.42Å; Y130-C159 HydrophobicContact CE2-CB 4.09Å; Y130-K162 HydrophobicContact CD2-CB 4.2Å; Y130-K162 HydrophobicContact CD2-CD 4.06Å; Y130-K162 HydrophobicContact CE2-CD 4.31Å; Y130-K162 WeakPolarHBondContact O-CB 3.28Å; Y130-K162 WeakPolarHBondContact O-CD 3.18Å
131	N	96.6	Very high	95.4	Very high	67 Å²	67	58.3 Å²	58.3	36%	0.358	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-27.3	174.3	-67.2	-65.1	0	0	0	112.8	D129 P133 K162	D129-N131 PolarHBondContact O-N 3.28Å; D129-N131 VanDerWaalsContact O-N 3.11Å; D129-N131 VanDerWaalsContact OD1-CB 3.29Å; D129-N131 WeakPolarHBondContact OD1-CB 3.31Å; D129-N131 PolarHBondContact OD1-N 2.87Å; D129-N131 PolarHBondContact OD1-ND2 3.45Å; N131-P133 VanDerWaalsContact C-CD 3.43Å; N131-P133 WeakPolarHBondContact O-CD 3.43Å; N131-K162 PolarHBondContact OD1-NZ 3.48Å
132	E	97.6	Very high	95.7	Very high	127 Å²	127	61 Å²	61	59%	0.593	37%	0.372	S	S	*	.	S	Bend	trans	-120.7	63.7	176.8	-65.8	-67.1	155.8	0	0	108.8	D129 Y130 L134 S135	D129-E132 CarbonylContact O-C 3.52Å; D129-E132 VanDerWaalsContact O-C 3.25Å; D129-E132 PolarHBondContact O-N 2.96Å; Y130-E132 PolarHBondContact O-N 3.48Å; E132-L134 PolarHBondContact O-N 3.37Å; E132-S135 VanDerWaalsContact O-CB 3.32Å; E132-S135 WeakPolarHBondContact O-CB 3.46Å; E132-S135 PolarHBondContact O-N 3.41Å
133	P	96.6	Very high	96	Very high	13 Å²	13	64.3 Å²	64.3	8%	0.084	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.1	-160.2	22.7	-32.9	0	0	0	114.3	Y130 N131 K162 Q165 T166	Y130-P133 WeakPolarHBondContact O-CD 3.32Å; N131-P133 VanDerWaalsContact C-CD 3.43Å; N131-P133 WeakPolarHBondContact O-CD 3.43Å; P133-K162 HydrophobicContact CB-CB 4.42Å; P133-K162 VanDerWaalsContact CB-O 3.26Å; P133-K162 WeakPolarHBondContact CB-O 3.3Å; P133-K162 HydrophobicContact CG-CB 4.24Å; P133-Q165 HydrophobicContact CB-CB 4.42Å; P133-Q165 HydrophobicContact CG-CB 4.45Å; P133-T166 VanDerWaalsContact CB-OG1 3.25Å; P133-T166 WeakPolarHBondContact CB-OG1 3.33Å; P133-T166 PolarHBondContact O-OG1 2.99Å; P133-T166 VanDerWaalsContact O-OG1 3.1Å
134	L	97.4	Very high	96.2	Very high	97 Å²	97	57.4 Å²	57.4	51%	0.508	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	6.6	179.1	-57	-177.1	0	0	0	113.4	E132 L136 Y169	E132-L134 PolarHBondContact O-N 3.37Å; L134-L136 PolarHBondContact O-N 3.44Å; L134-Y169 HydrophobicContact CD2-CD2 4.12Å; L134-Y169 HydrophobicContact CD2-CG 3.96Å
135	S	97.4	Very high	96.3	Very high	89 Å²	89	55.4 Å²	55.4	62%	0.622	32%	0.323	S	S	*	.			trans	-77.3	56.2	171.8	-177.9	0	0	0	0	111	E132	E132-S135 VanDerWaalsContact O-CB 3.32Å; E132-S135 WeakPolarHBondContact O-CB 3.46Å; E132-S135 PolarHBondContact O-N 3.41Å
136	L	96.6	Very high	96.4	Very high	27 Å²	27	55.9 Å²	55.9	14%	0.141	33%	0.327	C	S	.	.			trans	-93	146.6	-179.6	-60.4	173.7	0	0	0	110.5	L112 Y128 L134 V140 T166 Y169 L170	L112-L136 HydrophobicContact CD2-CD2 3.77Å; Y128-L136 HydrophobicContact CD2-CD2 3.99Å; L134-L136 PolarHBondContact O-N 3.44Å; L136-V140 HydrophobicContact CB-CB 4.25Å; L136-V140 HydrophobicContact CB-CG1 4.4Å; L136-V140 HydrophobicContact CD1-CG1 4.02Å; L136-T166 HydrophobicContact CD1-CG2 4.43Å; L136-Y169 HydrophobicContact CD1-CD1 3.67Å; L136-Y169 HydrophobicContact CD1-CE1 3.75Å; L136-L170 HydrophobicContact CD1-CD2 4.05Å
137	P	94.6	Very high	96.4	Very high	66 Å²	66	55.3 Å²	55.3	43%	0.429	32%	0.324	S	S	.	.			trans	-64.1	152.9	176.7	26.6	-32.5	0	0	0	110.9	V126 G139 V140	V126-P137 HydrophobicContact CG1-CG 3.92Å; P137-G139 PolarHBondContact O-N 2.81Å; P137-V140 HydrophobicContact CG-CG2 3.87Å; P137-V140 WeakPolarHBondContact O-CB 3.26Å; P137-V140 PolarHBondContact O-N 3.23Å
138	S	88.7	Confident	96.5	Very high	133 Å²	133	52.1 Å²	52.1	93%	0.93	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.5	-174.8	58.2	0	0	0	0	114.9	V140	S138-V140 PolarHBondContact O-N 3.04Å
139	G	88.1	Confident	96.5	Very high	65 Å²	65	51.9 Å²	51.9	67%	0.67	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.4	174.1	0	0	0	0	0	114.1	P137 A141	P137-G139 PolarHBondContact O-N 2.81Å; G139-A141 PolarHBondContact O-N 2.82Å
140	V	94.9	Very high	96.6	Very high	10 Å²	10	49.9 Å²	49.9	6%	0.061	30%	0.298	C	S	.	.	S	Bend	trans	-93.3	84.1	178.9	-177.3	0	0	0	0	108.8	V126 L136 P137 S138 F145 Y169 L170	V126-V140 HydrophobicContact CG1-CG2 4.25Å; V126-V140 HydrophobicContact CG2-CG2 3.97Å; L136-V140 HydrophobicContact CB-CB 4.25Å; L136-V140 HydrophobicContact CB-CG1 4.4Å; L136-V140 HydrophobicContact CD1-CG1 4.02Å; P137-V140 HydrophobicContact CG-CG2 3.87Å; P137-V140 WeakPolarHBondContact O-CB 3.26Å; P137-V140 PolarHBondContact O-N 3.23Å; S138-V140 PolarHBondContact O-N 3.04Å; V140-F145 HydrophobicContact CG1-CE2 4.24Å; V140-Y169 WeakPolarHBondContact O-CE1 3.19Å; V140-Y169 PolarHBondContact O-OH 2.75Å; V140-L170 HydrophobicContact CG1-CD2 3.25Å
141	A	96.1	Very high	96.6	Very high	46 Å²	46	49 Å²	49	38%	0.38	30%	0.296	S	S	.	.			trans	-68.3	147.3	-179.8	0	0	0	0	0	112	G139 S144	G139-A141 PolarHBondContact O-N 2.82Å; A141-S144 VanDerWaalsContact O-CB 3.27Å; A141-S144 WeakPolarHBondContact O-CB 3.23Å; A141-S144 PolarHBondContact O-OG 2.93Å
142	P	97.9	Very high	96.6	Very high	74 Å²	74	46 Å²	46	48%	0.481	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	149.8	174.5	27.7	-33.4	0	0	0	110.9	S144 Y169	P142-S144 PolarHBondContact O-N 3.11Å; P142-S144 VanDerWaalsContact O-N 3.16Å; P142-Y169 CarbonylContact C-O 3.57Å; P142-Y169 VanDerWaalsContact CA-O 3.25Å; P142-Y169 WeakPolarHBondContact CA-O 3.26Å; P142-Y169 HydrophobicContact CB-CD2 4.07Å; P142-Y169 HydrophobicContact CB-CE1 4.21Å; P142-Y169 HydrophobicContact CB-CE2 3.69Å; P142-Y169 HydrophobicContact CB-CG 4.49Å; P142-Y169 WeakPolarHBondContact CD-OH 3.34Å; P142-Y169 HydrophobicContact CG-CE2 4.36Å
143	R	98.1	Very high	96.2	Very high	136 Å²	136	41.3 Å²	41.3	51%	0.513	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	39.8	174.9	-52.5	-71.2	-66.5	-173.9	-6.4	112.2	Y169 L170 S171 K172	R143-Y169 PolarHBondContact N-O 3.46Å; R143-L170 CarbonylContact C-O 3.46Å; R143-L170 VanDerWaalsContact CA-O 3.31Å; R143-L170 WeakPolarHBondContact CA-O 3.27Å; R143-S171 WeakPolarHBondContact CD-O 3.23Å; R143-S171 PolarHBondContact NE-O 2.99Å; R143-S171 PolarHBondContact NH1-O 3.09Å; R143-K172 PolarHBondContact NH2-O 3.38Å; R143-K172 WeakPolarHBondContact O-CG 3.22Å
144	S	97.8	Very high	96	Very high	15 Å²	15	44.7 Å²	44.7	11%	0.105	27%	0.272	C	S	.	.			trans	-108.8	-1.3	-171.3	73	0	0	0	0	114.2	R83 A141 P142 L170	R83-S144 WeakPolarHBondContact CD-O 3.39Å; R83-S144 VanDerWaalsContact NH1-CB 3.3Å; R83-S144 PolarHBondContact NH1-O 3.47Å; R83-S144 PolarHBondContact NH1-OG 2.88Å; R83-S144 VanDerWaalsContact NH1-OG 3.1Å; A141-S144 VanDerWaalsContact O-CB 3.27Å; A141-S144 WeakPolarHBondContact O-CB 3.23Å; A141-S144 PolarHBondContact O-OG 2.93Å; P142-S144 PolarHBondContact O-N 3.11Å; P142-S144 VanDerWaalsContact O-N 3.16Å; S144-L170 PolarHBondContact N-O 2.98Å
145	F	98.7	Very high	95.6	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.013	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.9	178.7	-65.1	-85.8	0	0	0	111.5	R83 I84 A85 V110 V140 I147 V148 L170 K172	R83-F145 HydrophobicContact CB-CD1 3.85Å; R83-F145 HydrophobicContact CB-CE1 4.37Å; R83-F145 CarbonylContact O-C 3.51Å; I84-F145 VanDerWaalsContact C-CD1 3.43Å; A85-F145 HydrophobicContact CB-CB 4.27Å; A85-F145 HydrophobicContact CB-CD1 3.63Å; A85-F145 HydrophobicContact CB-CD2 4.08Å; A85-F145 HydrophobicContact CB-CE1 3.92Å; A85-F145 HydrophobicContact CB-CE2 4.35Å; A85-F145 HydrophobicContact CB-CG 3.7Å; A85-F145 HydrophobicContact CB-CZ 4.26Å; V110-F145 HydrophobicContact CG1-CE1 4.47Å; V110-F145 HydrophobicContact CG2-CE1 3.5Å; V110-F145 HydrophobicContact CG2-CZ 3.55Å; V140-F145 HydrophobicContact CG1-CE2 4.24Å; F145-I147 VanDerWaalsContact C-N 3.3Å; F145-V148 HydrophobicContact CB-CG2 4.09Å; F145-L170 HydrophobicContact CD2-CB 3.96Å; F145-L170 HydrophobicContact CD2-CD2 3.93Å; F145-L170 HydrophobicContact CD2-CG 4.46Å; F145-L170 HydrophobicContact CE2-CD2 3.75Å; F145-L170 PolarHBondContact N-O 3.19Å; F145-L170 VanDerWaalsContact N-O 3.14Å; F145-K172 WeakPolarHBondContact O-CB 3.41Å; F145-K172 WeakPolarHBondContact O-CG 3.48Å; F145-K172 PolarHBondContact O-N 2.89Å
146	D	98.8	Very high	95.4	Very high	41 Å²	41	40.1 Å²	40.1	22%	0.219	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-30.9	-179.6	-62.5	-73.3	0	0	0	111.5	R83 K172 K174	R83-D146 PolarHBondContact N-OD2 3.43Å; R83-D146 PolarHBondContact O-N 3.34Å; D146-K172 VanDerWaalsContact OD1-CD 3.25Å; D146-K172 WeakPolarHBondContact OD1-CD 3.48Å; D146-K172 IonicContact OD1-NZ 2.72Å; D146-K172 PolarHBondContact OD1-NZ 2.83Å; D146-K172 IonicContact OD2-NZ 3.05Å; D146-K172 PolarHBondContact OD2-NZ 2.9Å; D146-K174 WeakPolarHBondContact O-CB 3.42Å
147	I	98.8	Very high	95.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	140.5	167.6	-173.7	161.7	0	0	0	110.7	A74 Q77 A78 R83 I84 A85 F145 K174 L176 Y216	A74-I147 HydrophobicContact CB-CG2 4.43Å; Q77-I147 HydrophobicContact CB-CD1 3.54Å; Q77-I147 HydrophobicContact CG-CD1 4.13Å; A78-I147 HydrophobicContact CB-CG2 4Å; R83-I147 PolarHBondContact O-N 2.9Å; I84-I147 HydrophobicContact CB-CG2 4.32Å; I84-I147 HydrophobicContact CG1-CG2 3.78Å; I84-I147 HydrophobicContact CG2-CG2 4.23Å; A85-I147 PolarHBondContact N-O 3.3Å; A85-I147 VanDerWaalsContact N-O 3.14Å; F145-I147 VanDerWaalsContact C-N 3.3Å; I147-K174 HydrophobicContact CB-CB 4.24Å; I147-K174 HydrophobicContact CD1-CB 4.47Å; I147-K174 HydrophobicContact CG1-CB 4.16Å; I147-L176 HydrophobicContact CD1-CB 4.25Å; I147-Y216 HydrophobicContact CD1-CE1 3.83Å; I147-Y216 WeakPolarHBondContact CD1-OH 3.24Å
148	V	98.9	Very high	95.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.3	168.8	179.9	0	0	0	0	107.9	A85 V87 F145 I167 L170 K174 V175 L176	A85-V148 HydrophobicContact CB-CG1 4.43Å; A85-V148 HydrophobicContact CB-CG2 4.27Å; V87-V148 HydrophobicContact CG2-CG1 3.86Å; F145-V148 HydrophobicContact CB-CG2 4.09Å; V148-I167 HydrophobicContact CB-CG2 4.31Å; V148-I167 HydrophobicContact CG1-CB 4.38Å; V148-I167 HydrophobicContact CG1-CG1 3.97Å; V148-I167 HydrophobicContact CG1-CG2 4.19Å; V148-L170 HydrophobicContact CG2-CB 3.73Å; V148-K174 PolarHBondContact N-O 2.85Å; V148-V175 WeakPolarHBondContact O-CA 3.36Å; V148-L176 PolarHBondContact O-N 3.23Å
149	L	98.8	Very high	95.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126.5	168.6	-176.9	151.6	0	0	0	108.2	L70 A85 C86 V87 A89 V92 L176	L70-L149 HydrophobicContact CB-CD1 4.1Å; A85-L149 PolarHBondContact O-N 3.28Å; A85-L149 VanDerWaalsContact O-O 3.1Å; C86-L149 CarbonylContact C-O 3.53Å; C86-L149 WeakPolarHBondContact CA-O 3.2Å; V87-L149 PolarHBondContact N-O 3.31Å; A89-L149 HydrophobicContact CB-CD2 3.26Å; V92-L149 HydrophobicContact CB-CD1 4.38Å; V92-L149 HydrophobicContact CB-CD2 4.33Å; V92-L149 HydrophobicContact CG1-CD1 3.79Å; V92-L149 HydrophobicContact CG2-CD1 4.28Å; V92-L149 HydrophobicContact CG2-CD2 4.13Å; L149-L176 CarbonylContact C-O 3.25Å; L149-L176 WeakPolarHBondContact CA-O 3.35Å; L149-L176 HydrophobicContact CD1-CD1 4.09Å; L149-L176 HydrophobicContact CD1-CD2 3.99Å; L149-L176 HydrophobicContact CD1-CG 4.48Å; L149-L176 HydrophobicContact CG-CB 4.49Å; L149-L176 HydrophobicContact CG-CD2 4.01Å
150	A	98.8	Very high	96.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	141.9	-179.3	0	0	0	0	0	112.2	V87 V163 I167 L176 L177 C178	V87-A150 HydrophobicContact CB-CB 4.02Å; V87-A150 WeakPolarHBondContact O-CA 3.25Å; A150-V163 HydrophobicContact CB-CG1 4.3Å; A150-I167 HydrophobicContact CB-CD1 3.54Å; A150-I167 HydrophobicContact CB-CG1 3.93Å; A150-L176 PolarHBondContact N-O 3Å; A150-L177 HydrophobicContact CB-CD1 4.1Å; A150-L177 WeakPolarHBondContact O-CA 3.36Å; A150-C178 PolarHBondContact O-N 2.83Å
151	D	97.9	Very high	96.5	Very high	19 Å²	19	38.4 Å²	38.4	10%	0.102	20%	0.198	C	C	.	.			trans	-133.9	84.7	172.9	-172.6	15.2	0	0	0	109.6	Y62 V87 S88 A89 C178	Y62-D151 WeakPolarHBondContact CE2-OD2 3.29Å; Y62-D151 PolarHBondContact OH-OD1 3.23Å; Y62-D151 PolarHBondContact OH-OD2 2.79Å; V87-D151 PolarHBondContact O-N 3.33Å; S88-D151 WeakPolarHBondContact CB-O 3.42Å; A89-D151 HydrophobicContact CB-CB 4.02Å; D151-C178 WeakPolarHBondContact CA-O 3.37Å; D151-C178 HydrophobicContact CB-CB 4.5Å
152	P	96	Very high	96.6	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.032	19%	0.191	C	C	.	.			trans	-56.5	135.6	-175.2	-23.5	32.6	0	0	0	111.8	Y154 L160 V163 L177 C178	P152-Y154 VanDerWaalsContact C-N 3.26Å; P152-Y154 PolarHBondContact O-N 2.06Å; P152-L160 HydrophobicContact CG-CD1 4.05Å; P152-V163 HydrophobicContact CB-CB 4.43Å; P152-V163 HydrophobicContact CB-CG2 4.07Å; P152-V163 HydrophobicContact CG-CB 4.28Å; P152-V163 HydrophobicContact CG-CG1 4.03Å; P152-V163 HydrophobicContact CG-CG2 4.43Å; P152-L177 HydrophobicContact CG-CD1 3.86Å; P152-C178 VanDerWaalsContact CD-O 3.27Å; P152-C178 WeakPolarHBondContact CD-O 3.19Å
153	P	90.1	Very high	96.6	Very high	28 Å²	28	35.1 Å²	35.1	18%	0.182	17%	0.168	C	C	.	.	S	Bend	trans	-64.5	-28.4	-172.6	23.9	-34.1	0	0	0	113.3	S58 Y130	S58-P153 WeakPolarHBondContact CB-O 3.17Å; S58-P153 PolarHBondContact OG-O 2.95Å; Y130-P153 HydrophobicContact CD1-CG 4.05Å; Y130-P153 HydrophobicContact CE1-CG 4.32Å
154	Y	91	Very high	96.7	Very high	85 Å²	85	28.8 Å²	28.8	33%	0.333	15%	0.145	S	C	.	.	S	Bend	trans	-123.2	141	-175.5	-55.6	-70.5	0	0	0	112.2	R56 Y130 P152 S156	R56-Y154 PolarHBondContact O-OH 2.99Å; Y130-Y154 AromaticContact CE1-CD2 3.91Å; Y130-Y154 HydrophobicContact CE1-CD2 3.91Å; Y130-Y154 AromaticContact CE1-CE2 3.61Å; Y130-Y154 HydrophobicContact CE1-CE2 3.61Å; Y130-Y154 AromaticContact CZ-CD2 3.77Å; Y130-Y154 AromaticContact CZ-CE2 3.8Å; Y130-Y154 WeakPolarHBondContact OH-CD2 3.25Å; Y130-Y154 WeakPolarHBondContact OH-CE2 3.42Å; P152-Y154 VanDerWaalsContact C-N 3.26Å; P152-Y154 PolarHBondContact O-N 2.06Å; Y154-S156 PolarHBondContact O-N 3.37Å
155	L	90.4	Very high	96.7	Very high	48 Å²	48	32 Å²	32	25%	0.251	16%	0.158	S	C	.	.	S	Bend	trans	-82.3	66.1	172.8	-61.7	-174.6	0	0	0	111	T179 I182 N208 F210	L155-T179 WeakPolarHBondContact CD2-OG1 3.31Å; L155-I182 HydrophobicContact CB-CD1 4.44Å; L155-N208 HydrophobicContact CD1-CB 3.63Å; L155-N208 WeakPolarHBondContact CD1-ND2 3.35Å; L155-F210 HydrophobicContact CD1-CZ 4.2Å; L155-F210 HydrophobicContact CD2-CE1 4.18Å; L155-F210 HydrophobicContact CD2-CZ 4.34Å; L155-F210 HydrophobicContact CG-CZ 4.49Å
156	S	93.6	Very high	96.7	Very high	42 Å²	42	31.9 Å²	31.9	29%	0.294	16%	0.158	S	C	.	.	S	Bend	trans	-135.5	149.4	173.6	67.2	0	0	0	0	110.6	Y154 E158 C159 L160	Y154-S156 PolarHBondContact O-N 3.37Å; S156-E158 VanDerWaalsContact C-N 3.29Å; S156-E158 PolarHBondContact O-N 2.99Å; S156-C159 PolarHBondContact O-N 2.98Å; S156-C159 WeakPolarHBondContact OG-CB 3.5Å; S156-C159 PolarHBondContact OG-N 3.21Å; S156-L160 PolarHBondContact O-N 3.38Å
157	E	94.8	Very high	96.7	Very high	114 Å²	114	30 Å²	30	53%	0.533	15%	0.147	S	C	.	.	H	α-helix	trans	-60.8	-41	177	-178.2	172.4	170.7	0	0	111.5	C159 L160 I161 V186	E157-C159 PolarHBondContact O-N 3.15Å; E157-L160 PolarHBondContact O-N 3.38Å; E157-I161 HydrophobicContact CG-CD1 3.77Å; E157-I161 HydrophobicContact CG-CG1 4.31Å; E157-I161 WeakPolarHBondContact O-CB 3.09Å; E157-I161 VanDerWaalsContact O-CG1 3.24Å; E157-I161 WeakPolarHBondContact O-CG1 3.46Å; E157-I161 PolarHBondContact O-N 3.12Å; E157-V186 HydrophobicContact CG-CG1 3.97Å; E157-V186 HydrophobicContact CG-CG2 4.16Å
158	E	96.7	Very high	96.7	Very high	86 Å²	86	34.8 Å²	34.8	40%	0.402	17%	0.17	S	C	.	.	H	α-helix	trans	-60.1	-46.3	177.8	-179.5	-88.1	153.2	0	0	112.3	S156 I161 K162	S156-E158 VanDerWaalsContact C-N 3.29Å; S156-E158 PolarHBondContact O-N 2.99Å; E158-I161 PolarHBondContact O-N 2.85Å; E158-K162 PolarHBondContact O-N 3.42Å; E158-K162 VanDerWaalsContact O-N 3.12Å; E158-K162 WeakPolarHBondContact OE1-CD 3.27Å; E158-K162 WeakPolarHBondContact OE1-CE 3.49Å; E158-K162 IonicContact OE1-NZ 2.87Å; E158-K162 PolarHBondContact OE1-NZ 3.08Å
159	C	96.6	Very high	96.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-47.2	174.3	-177	0	0	0	0	111.3	Y130 S156 E157 I161 K162 V163	Y130-C159 HydrophobicContact CD2-CB 4.42Å; Y130-C159 HydrophobicContact CE2-CB 4.09Å; S156-C159 PolarHBondContact O-N 2.98Å; S156-C159 WeakPolarHBondContact OG-CB 3.5Å; S156-C159 PolarHBondContact OG-N 3.21Å; E157-C159 PolarHBondContact O-N 3.15Å; C159-I161 PolarHBondContact O-N 3.41Å; C159-K162 PolarHBondContact O-N 2.88Å; C159-V163 WeakPolarHBondContact O-CG2 3.49Å; C159-V163 PolarHBondContact O-N 3.38Å
160	L	98.3	Very high	96.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-64.7	-38.1	-179.6	-179	57.3	0	0	0	112.4	P152 S156 E157 A164 L177 M183 V186 A187 L190	P152-L160 HydrophobicContact CG-CD1 4.05Å; S156-L160 PolarHBondContact O-N 3.38Å; E157-L160 PolarHBondContact O-N 3.38Å; L160-A164 WeakPolarHBondContact O-CB 3.24Å; L160-A164 PolarHBondContact O-N 3.21Å; L160-L177 HydrophobicContact CD1-CD1 4.25Å; L160-L177 HydrophobicContact CD1-CD2 4.04Å; L160-M183 HydrophobicContact CD2-CB 3.88Å; L160-M183 HydrophobicContact CD2-CG 4.25Å; L160-M183 HydrophobicContact CD2-SD 4.2Å; L160-V186 HydrophobicContact CD2-CB 4.01Å; L160-V186 HydrophobicContact CD2-CG1 3.71Å; L160-V186 HydrophobicContact CG-CG1 4.27Å; L160-A187 HydrophobicContact CD2-CB 4.13Å; L160-L190 HydrophobicContact CG-CD1 4.14Å
161	I	98.5	Very high	96.7	Very high	63 Å²	63	38.6 Å²	38.6	32%	0.323	19%	0.185	S	C	.	.	H	α-helix	trans	-59.4	-49	174.4	-73.5	167	0	0	0	110.5	E157 E158 C159 A164 Q165 L190	E157-I161 HydrophobicContact CG-CD1 3.77Å; E157-I161 HydrophobicContact CG-CG1 4.31Å; E157-I161 WeakPolarHBondContact O-CB 3.09Å; E157-I161 VanDerWaalsContact O-CG1 3.24Å; E157-I161 WeakPolarHBondContact O-CG1 3.46Å; E157-I161 PolarHBondContact O-N 3.12Å; E158-I161 PolarHBondContact O-N 2.85Å; C159-I161 PolarHBondContact O-N 3.41Å; I161-A164 WeakPolarHBondContact O-CB 3.45Å; I161-A164 PolarHBondContact O-N 3.22Å; I161-Q165 WeakPolarHBondContact O-CG 3.38Å; I161-Q165 PolarHBondContact O-N 2.88Å; I161-Q165 VanDerWaalsContact O-N 3.16Å; I161-L190 HydrophobicContact CB-CD1 4.46Å; I161-L190 HydrophobicContact CG1-CD1 3.83Å; I161-L190 HydrophobicContact CG1-CD2 4.35Å
162	K	98.6	Very high	96.7	Very high	52 Å²	52	42.2 Å²	42.2	23%	0.226	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-45.1	-179.8	-71.9	-177.6	173.6	170	0	112	Y130 N131 P133 E158 C159 A164 Q165 T166	Y130-K162 HydrophobicContact CD2-CB 4.2Å; Y130-K162 HydrophobicContact CD2-CD 4.06Å; Y130-K162 HydrophobicContact CE2-CD 4.31Å; Y130-K162 WeakPolarHBondContact O-CB 3.28Å; Y130-K162 WeakPolarHBondContact O-CD 3.18Å; N131-K162 PolarHBondContact OD1-NZ 3.48Å; P133-K162 HydrophobicContact CB-CB 4.42Å; P133-K162 VanDerWaalsContact CB-O 3.26Å; P133-K162 WeakPolarHBondContact CB-O 3.3Å; P133-K162 HydrophobicContact CG-CB 4.24Å; E158-K162 PolarHBondContact O-N 3.42Å; E158-K162 VanDerWaalsContact O-N 3.12Å; E158-K162 WeakPolarHBondContact OE1-CD 3.27Å; E158-K162 WeakPolarHBondContact OE1-CE 3.49Å; E158-K162 IonicContact OE1-NZ 2.87Å; E158-K162 PolarHBondContact OE1-NZ 3.08Å; C159-K162 PolarHBondContact O-N 2.88Å; K162-A164 VanDerWaalsContact C-N 3.28Å; K162-A164 PolarHBondContact O-N 3.46Å; K162-Q165 WeakPolarHBondContact O-CB 3.48Å; K162-Q165 PolarHBondContact O-N 3.3Å; K162-Q165 VanDerWaalsContact O-N 3.16Å; K162-T166 PolarHBondContact O-N 2.79Å; K162-T166 PolarHBondContact O-OG1 3.36Å
163	V	98.7	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-35.8	175.7	176.6	0	0	0	0	111.2	V87 A150 P152 C159 Q165 T166 I167	V87-V163 HydrophobicContact CG1-CG1 4.26Å; A150-V163 HydrophobicContact CB-CG1 4.3Å; P152-V163 HydrophobicContact CB-CB 4.43Å; P152-V163 HydrophobicContact CB-CG2 4.07Å; P152-V163 HydrophobicContact CG-CB 4.28Å; P152-V163 HydrophobicContact CG-CG1 4.03Å; P152-V163 HydrophobicContact CG-CG2 4.43Å; C159-V163 WeakPolarHBondContact O-CG2 3.49Å; C159-V163 PolarHBondContact O-N 3.38Å; V163-Q165 VanDerWaalsContact C-N 3.3Å; V163-Q165 PolarHBondContact O-N 3.02Å; V163-T166 WeakPolarHBondContact O-CB 3.49Å; V163-T166 PolarHBondContact O-N 2.6Å; V163-T166 VanDerWaalsContact O-N 3.14Å; V163-I167 HydrophobicContact CG1-CD1 3.91Å; V163-I167 HydrophobicContact CG1-CG1 4.22Å; V163-I167 WeakPolarHBondContact O-CG1 3.46Å; V163-I167 PolarHBondContact O-N 3.36Å
164	A	98.8	Very high	97.2	Very high	2 Å²	2	45.6 Å²	45.6	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-35.4	175.1	0	0	0	0	0	112.7	L160 I161 K162 T166 I167 Q168 L190 L191	L160-A164 WeakPolarHBondContact O-CB 3.24Å; L160-A164 PolarHBondContact O-N 3.21Å; I161-A164 WeakPolarHBondContact O-CB 3.45Å; I161-A164 PolarHBondContact O-N 3.22Å; K162-A164 VanDerWaalsContact C-N 3.28Å; K162-A164 PolarHBondContact O-N 3.46Å; A164-T166 VanDerWaalsContact C-N 3.34Å; A164-T166 PolarHBondContact O-N 2.99Å; A164-I167 PolarHBondContact O-N 3.38Å; A164-Q168 WeakPolarHBondContact O-CB 3.17Å; A164-Q168 VanDerWaalsContact O-CG 3.25Å; A164-Q168 WeakPolarHBondContact O-CG 3.49Å; A164-Q168 PolarHBondContact O-N 2.89Å; A164-L190 HydrophobicContact CB-CB 4.05Å; A164-L190 HydrophobicContact CB-CD1 3.95Å; A164-L191 HydrophobicContact CB-CD1 4.27Å; A164-L191 HydrophobicContact CB-CD2 3.87Å; A164-L191 HydrophobicContact CB-CG 4.09Å
165	Q	98.8	Very high	97.6	Very high	84 Å²	84	41.8 Å²	41.8	39%	0.393	21%	0.207	S	C	.	.	H	α-helix	trans	-60	-45.5	172.9	-65.6	173	-8.9	0	0	111.1	P133 I161 K162 V163 Q168 Y169	P133-Q165 HydrophobicContact CB-CB 4.42Å; P133-Q165 HydrophobicContact CG-CB 4.45Å; I161-Q165 WeakPolarHBondContact O-CG 3.38Å; I161-Q165 PolarHBondContact O-N 2.88Å; I161-Q165 VanDerWaalsContact O-N 3.16Å; K162-Q165 WeakPolarHBondContact O-CB 3.48Å; K162-Q165 PolarHBondContact O-N 3.3Å; K162-Q165 VanDerWaalsContact O-N 3.16Å; V163-Q165 VanDerWaalsContact C-N 3.3Å; V163-Q165 PolarHBondContact O-N 3.02Å; Q165-Q168 PolarHBondContact O-N 3.22Å; Q165-Y169 WeakPolarHBondContact O-CB 3.14Å; Q165-Y169 PolarHBondContact O-N 3.08Å
166	T	98.8	Very high	98	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-48.7	174.7	-48.1	0	0	0	0	111.1	L112 Y128 P133 L136 K162 V163 A164 Q168 Y169 L170	L112-T166 HydrophobicContact CD2-CG2 4.34Å; Y128-T166 HydrophobicContact CD2-CG2 4.34Å; Y128-T166 HydrophobicContact CE2-CG2 3.58Å; Y128-T166 WeakPolarHBondContact CE2-OG1 3.41Å; Y128-T166 PolarHBondContact OH-OG1 3.31Å; P133-T166 VanDerWaalsContact CB-OG1 3.25Å; P133-T166 WeakPolarHBondContact CB-OG1 3.33Å; P133-T166 PolarHBondContact O-OG1 2.99Å; P133-T166 VanDerWaalsContact O-OG1 3.1Å; L136-T166 HydrophobicContact CD1-CG2 4.43Å; K162-T166 PolarHBondContact O-N 2.79Å; K162-T166 PolarHBondContact O-OG1 3.36Å; V163-T166 WeakPolarHBondContact O-CB 3.49Å; V163-T166 PolarHBondContact O-N 2.6Å; V163-T166 VanDerWaalsContact O-N 3.14Å; A164-T166 VanDerWaalsContact C-N 3.34Å; A164-T166 PolarHBondContact O-N 2.99Å; T166-Q168 VanDerWaalsContact C-N 3.35Å; T166-Q168 PolarHBondContact O-N 2.6Å; T166-Y169 PolarHBondContact O-N 2.62Å; T166-L170 HydrophobicContact CG2-CD1 3.79Å; T166-L170 HydrophobicContact CG2-CG 4.31Å; T166-L170 WeakPolarHBondContact O-CB 3.32Å; T166-L170 VanDerWaalsContact O-CG 3.24Å; T166-L170 WeakPolarHBondContact O-CG 3.22Å; T166-L170 PolarHBondContact O-N 3.24Å
167	I	98.8	Very high	98.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.1	-47.4	179.4	-67	166.4	0	0	0	110.9	V148 A150 V163 A164 Y169 L170 S171 V175 L177 L191	V148-I167 HydrophobicContact CB-CG2 4.31Å; V148-I167 HydrophobicContact CG1-CB 4.38Å; V148-I167 HydrophobicContact CG1-CG1 3.97Å; V148-I167 HydrophobicContact CG1-CG2 4.19Å; A150-I167 HydrophobicContact CB-CD1 3.54Å; A150-I167 HydrophobicContact CB-CG1 3.93Å; V163-I167 HydrophobicContact CG1-CD1 3.91Å; V163-I167 HydrophobicContact CG1-CG1 4.22Å; V163-I167 WeakPolarHBondContact O-CG1 3.46Å; V163-I167 PolarHBondContact O-N 3.36Å; A164-I167 PolarHBondContact O-N 3.38Å; I167-Y169 VanDerWaalsContact C-N 3.33Å; I167-Y169 PolarHBondContact O-N 3.22Å; I167-L170 PolarHBondContact O-N 3.24Å; I167-S171 WeakPolarHBondContact O-CB 3.48Å; I167-S171 PolarHBondContact O-N 3.32Å; I167-V175 HydrophobicContact CG2-CB 4.31Å; I167-V175 HydrophobicContact CG2-CG1 3.81Å; I167-V175 HydrophobicContact CG2-CG2 3.49Å; I167-V175 VanDerWaalsContact CG2-CG2 3.49Å; I167-L177 HydrophobicContact CD1-CD1 4.43Å; I167-L191 HydrophobicContact CB-CD2 4.1Å; I167-L191 HydrophobicContact CD1-CD1 3.75Å; I167-L191 HydrophobicContact CD1-CD2 4.44Å; I167-L191 HydrophobicContact CG2-CD2 3.81Å
168	Q	98.7	Very high	98.4	Very high	101 Å²	101	32.1 Å²	32.1	47%	0.472	16%	0.156	S	C	.	.	H	α-helix	trans	-64.4	-38.4	179.9	-73.1	174.8	-9.4	0	0	112.1	A164 Q165 T166 L190 L191	A164-Q168 WeakPolarHBondContact O-CB 3.17Å; A164-Q168 VanDerWaalsContact O-CG 3.25Å; A164-Q168 WeakPolarHBondContact O-CG 3.49Å; A164-Q168 PolarHBondContact O-N 2.89Å; Q165-Q168 PolarHBondContact O-N 3.22Å; T166-Q168 VanDerWaalsContact C-N 3.35Å; T166-Q168 PolarHBondContact O-N 2.6Å; Q168-L190 PolarHBondContact NE2-O 3Å; Q168-L191 HydrophobicContact CG-CD2 4.08Å
169	Y	98.7	Very high	98.3	Very high	78 Å²	78	28.1 Å²	28.1	31%	0.306	14%	0.137	S	C	.	.	H	α-helix	trans	-63.4	-43.3	174.2	179	-89.3	0	0	0	111.5	L134 L136 V140 P142 R143 Q165 T166 I167	L134-Y169 HydrophobicContact CD2-CD2 4.12Å; L134-Y169 HydrophobicContact CD2-CG 3.96Å; L136-Y169 HydrophobicContact CD1-CD1 3.67Å; L136-Y169 HydrophobicContact CD1-CE1 3.75Å; V140-Y169 WeakPolarHBondContact O-CE1 3.19Å; V140-Y169 PolarHBondContact O-OH 2.75Å; P142-Y169 CarbonylContact C-O 3.57Å; P142-Y169 VanDerWaalsContact CA-O 3.25Å; P142-Y169 WeakPolarHBondContact CA-O 3.26Å; P142-Y169 HydrophobicContact CB-CD2 4.07Å; P142-Y169 HydrophobicContact CB-CE1 4.21Å; P142-Y169 HydrophobicContact CB-CE2 3.69Å; P142-Y169 HydrophobicContact CB-CG 4.49Å; P142-Y169 WeakPolarHBondContact CD-OH 3.34Å; P142-Y169 HydrophobicContact CG-CE2 4.36Å; R143-Y169 PolarHBondContact N-O 3.46Å; Q165-Y169 WeakPolarHBondContact O-CB 3.14Å; Q165-Y169 PolarHBondContact O-N 3.08Å; T166-Y169 PolarHBondContact O-N 2.62Å; I167-Y169 VanDerWaalsContact C-N 3.33Å; I167-Y169 PolarHBondContact O-N 3.22Å
170	L	98.7	Very high	98.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-80.7	-44.1	-174.4	-66.3	175.7	0	0	0	114.1	A85 V87 L112 L136 V140 R143 S144 F145 V148 T166 I167	A85-L170 HydrophobicContact CB-CD1 4.25Å; V87-L170 HydrophobicContact CG2-CD1 3.94Å; L112-L170 HydrophobicContact CD1-CD1 4.25Å; L112-L170 HydrophobicContact CD2-CD1 3.84Å; L136-L170 HydrophobicContact CD1-CD2 4.05Å; V140-L170 HydrophobicContact CG1-CD2 3.25Å; R143-L170 CarbonylContact C-O 3.46Å; R143-L170 VanDerWaalsContact CA-O 3.31Å; R143-L170 WeakPolarHBondContact CA-O 3.27Å; S144-L170 PolarHBondContact N-O 2.98Å; F145-L170 HydrophobicContact CD2-CB 3.96Å; F145-L170 HydrophobicContact CD2-CD2 3.93Å; F145-L170 HydrophobicContact CD2-CG 4.46Å; F145-L170 HydrophobicContact CE2-CD2 3.75Å; F145-L170 PolarHBondContact N-O 3.19Å; F145-L170 VanDerWaalsContact N-O 3.14Å; V148-L170 HydrophobicContact CG2-CB 3.73Å; T166-L170 HydrophobicContact CG2-CD1 3.79Å; T166-L170 HydrophobicContact CG2-CG 4.31Å; T166-L170 WeakPolarHBondContact O-CB 3.32Å; T166-L170 VanDerWaalsContact O-CG 3.24Å; T166-L170 WeakPolarHBondContact O-CG 3.22Å; T166-L170 PolarHBondContact O-N 3.24Å; I167-L170 PolarHBondContact O-N 3.24Å
171	S	98.4	Very high	97.9	Very high	3 Å²	3	29 Å²	29	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.2	-165.7	-177.8	0	0	0	0	112.7	R143 I167 G173 K174	R143-S171 WeakPolarHBondContact CD-O 3.23Å; R143-S171 PolarHBondContact NE-O 2.99Å; R143-S171 PolarHBondContact NH1-O 3.09Å; I167-S171 WeakPolarHBondContact O-CB 3.48Å; I167-S171 PolarHBondContact O-N 3.32Å; S171-G173 PolarHBondContact OG-N 3.16Å; S171-K174 PolarHBondContact OG-N 2.92Å; S171-K174 PolarHBondContact OG-O 3.14Å
172	K	98.4	Very high	97.7	Very high	94 Å²	94	31.8 Å²	31.8	41%	0.409	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-16.2	165.7	-72.4	174.9	-168.4	168.3	0	112.8	R143 F145 D146	R143-K172 PolarHBondContact NH2-O 3.38Å; R143-K172 WeakPolarHBondContact O-CG 3.22Å; F145-K172 WeakPolarHBondContact O-CB 3.41Å; F145-K172 WeakPolarHBondContact O-CG 3.48Å; F145-K172 PolarHBondContact O-N 2.89Å; D146-K172 VanDerWaalsContact OD1-CD 3.25Å; D146-K172 WeakPolarHBondContact OD1-CD 3.48Å; D146-K172 IonicContact OD1-NZ 2.72Å; D146-K172 PolarHBondContact OD1-NZ 2.83Å; D146-K172 IonicContact OD2-NZ 3.05Å; D146-K172 PolarHBondContact OD2-NZ 2.9Å
173	G	97.3	Very high	97.6	Very high	36 Å²	36	30.2 Å²	30.2	37%	0.371	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	161.1	-33.2	176.6	0	0	0	0	0	114.3	S171 N215	S171-G173 PolarHBondContact OG-N 3.16Å; G173-N215 PolarHBondContact O-ND2 3.14Å; G173-N215 PolarHBondContact O-OD1 3.26Å
174	K	98.7	Very high	97.5	Very high	69 Å²	69	33.9 Å²	33.9	30%	0.3	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	135.1	-177.5	-59.8	-175.3	-176.2	-178.4	0	112	Q77 D146 I147 V148 S171 N215 Y216	Q77-K174 HydrophobicContact CB-CD 4.09Å; Q77-K174 PolarHBondContact O-NZ 3.11Å; D146-K174 WeakPolarHBondContact O-CB 3.42Å; I147-K174 HydrophobicContact CB-CB 4.24Å; I147-K174 HydrophobicContact CD1-CB 4.47Å; I147-K174 HydrophobicContact CG1-CB 4.16Å; V148-K174 PolarHBondContact N-O 2.85Å; S171-K174 PolarHBondContact OG-N 2.92Å; S171-K174 PolarHBondContact OG-O 3.14Å; K174-N215 WeakPolarHBondContact CA-OD1 3.27Å; K174-Y216 HydrophobicContact CB-CD1 3.66Å; K174-Y216 HydrophobicContact CB-CE1 3.97Å; K174-Y216 HydrophobicContact CD-CD1 4.22Å; K174-Y216 HydrophobicContact CD-CG 4.37Å; K174-Y216 HydrophobicContact CG-CD1 3.93Å; K174-Y216 HydrophobicContact CG-CG 4.36Å
175	V	98.8	Very high	97.5	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.03	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.5	179.1	-178.9	0	0	0	0	109.4	V148 I167 L177 L191 V193 V214 N215 Y216	V148-V175 WeakPolarHBondContact O-CA 3.36Å; I167-V175 HydrophobicContact CG2-CB 4.31Å; I167-V175 HydrophobicContact CG2-CG1 3.81Å; I167-V175 HydrophobicContact CG2-CG2 3.49Å; I167-V175 VanDerWaalsContact CG2-CG2 3.49Å; V175-L177 HydrophobicContact CG1-CB 4.43Å; V175-L191 HydrophobicContact CG1-CD1 4.34Å; V175-V193 HydrophobicContact CB-CG1 4.02Å; V175-V193 HydrophobicContact CG1-CG1 3.95Å; V175-V214 WeakPolarHBondContact O-CA 3.28Å; V175-N215 PolarHBondContact N-OD1 3.08Å; V175-N215 PolarHBondContact O-N 2.68Å; V175-Y216 VanDerWaalsContact O-CE1 3.29Å; V175-Y216 WeakPolarHBondContact O-CE1 3.15Å
176	L	98.8	Very high	97.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	113	164.7	-167.9	167.8	0	0	0	106.9	L70 E73 I147 V148 L149 A150 V214 L221	L70-L176 HydrophobicContact CD2-CD1 4.33Å; L70-L176 HydrophobicContact CD2-CD2 3.98Å; E73-L176 HydrophobicContact CB-CD1 4.13Å; E73-L176 HydrophobicContact CG-CD1 3.89Å; I147-L176 HydrophobicContact CD1-CB 4.25Å; V148-L176 PolarHBondContact O-N 3.23Å; L149-L176 CarbonylContact C-O 3.25Å; L149-L176 WeakPolarHBondContact CA-O 3.35Å; L149-L176 HydrophobicContact CD1-CD1 4.09Å; L149-L176 HydrophobicContact CD1-CD2 3.99Å; L149-L176 HydrophobicContact CD1-CG 4.48Å; L149-L176 HydrophobicContact CG-CB 4.49Å; L149-L176 HydrophobicContact CG-CD2 4.01Å; A150-L176 PolarHBondContact N-O 3Å; L176-V214 HydrophobicContact CB-CG1 4.39Å; L176-V214 HydrophobicContact CG-CG1 4.08Å; L176-L221 HydrophobicContact CD1-CD1 3.7Å; L176-L221 HydrophobicContact CG-CD1 4.1Å
177	L	98.8	Very high	97.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.5	178.8	177.5	72.7	0	0	0	109.2	A150 P152 L160 I167 V175 T179 A187 L191 V193 C212 F213	A150-L177 HydrophobicContact CB-CD1 4.1Å; A150-L177 WeakPolarHBondContact O-CA 3.36Å; P152-L177 HydrophobicContact CG-CD1 3.86Å; L160-L177 HydrophobicContact CD1-CD1 4.25Å; L160-L177 HydrophobicContact CD1-CD2 4.04Å; I167-L177 HydrophobicContact CD1-CD1 4.43Å; V175-L177 HydrophobicContact CG1-CB 4.43Å; L177-T179 HydrophobicContact CD2-CG2 3.86Å; L177-T179 HydrophobicContact CG-CG2 4.07Å; L177-A187 HydrophobicContact CD2-CB 3.59Å; L177-L191 HydrophobicContact CD2-CD1 4.21Å; L177-V193 HydrophobicContact CD2-CG2 4.32Å; L177-C212 CarbonylContact O-C 3.56Å; L177-C212 WeakPolarHBondContact O-CA 3.07Å; L177-F213 HydrophobicContact CB-CB 4.32Å; L177-F213 PolarHBondContact N-O 3.35Å; L177-F213 PolarHBondContact O-N 2.84Å
178	C	98.2	Very high	97.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.6	164.2	-62.6	0	0	0	0	108	Y62 A150 D151 P152 R211 C212	Y62-C178 WeakPolarHBondContact OH-CB 3.27Å; A150-C178 PolarHBondContact O-N 2.83Å; D151-C178 WeakPolarHBondContact CA-O 3.37Å; D151-C178 HydrophobicContact CB-CB 4.5Å; P152-C178 VanDerWaalsContact CD-O 3.27Å; P152-C178 WeakPolarHBondContact CD-O 3.19Å; C178-R211 WeakPolarHBondContact CA-O 3.39Å; C178-C212 PolarHBondContact SG-SG 3.23Å
179	T	96	Very high	97.4	Very high	2 Å²	2	45 Å²	45	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	-179.9	176.7	-168.8	0	0	0	0	109.8	L155 L177 M183 F210 R211 F213	L155-T179 WeakPolarHBondContact CD2-OG1 3.31Å; L177-T179 HydrophobicContact CD2-CG2 3.86Å; L177-T179 HydrophobicContact CG-CG2 4.07Å; T179-M183 HydrophobicContact CG2-CB 3.75Å; T179-M183 HydrophobicContact CG2-CG 4.34Å; T179-F210 WeakPolarHBondContact O-CA 3.47Å; T179-R211 PolarHBondContact N-O 2.63Å; T179-R211 VanDerWaalsContact N-O 3.14Å; T179-R211 PolarHBondContact O-N 3.08Å; T179-F213 HydrophobicContact CG2-CD2 4.08Å; T179-F213 HydrophobicContact CG2-CE2 3.69Å
180	G	92.3	Very high	97.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	142.3	176.2	0	0	0	0	0	112	I182 M183 E209	G180-I182 PolarHBondContact O-N 3Å; G180-I182 VanDerWaalsContact O-N 3.09Å; G180-M183 WeakPolarHBondContact O-CB 3.36Å; G180-M183 PolarHBondContact O-N 2.77Å; G180-E209 CarbonylContact C-O 3.52Å; G180-E209 WeakPolarHBondContact CA-O 3.47Å
181	A	93.9	Very high	97.4	Very high	19 Å²	19	44.5 Å²	44.5	16%	0.157	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-54.6	-32.3	179.4	0	0	0	0	0	112.8	M183 E184 E209 R211	A181-M183 PolarHBondContact O-N 2.78Å; A181-M183 VanDerWaalsContact O-N 3.11Å; A181-E184 WeakPolarHBondContact O-CB 3.27Å; A181-E184 PolarHBondContact O-N 3.38Å; A181-E184 VanDerWaalsContact O-N 3.14Å; A181-E209 HydrophobicContact CB-CB 4.32Å; A181-E209 HydrophobicContact CB-CG 4.13Å; A181-E209 PolarHBondContact N-O 2.92Å; A181-R211 HydrophobicContact CB-CG 3.88Å
182	I	92.9	Very high	97.4	Very high	121 Å²	121	46.5 Å²	46.5	62%	0.621	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-59.2	-20.9	176.2	60.4	165.1	0	0	0	113.9	L155 G180 E184	L155-I182 HydrophobicContact CB-CD1 4.44Å; G180-I182 PolarHBondContact O-N 3Å; G180-I182 VanDerWaalsContact O-N 3.09Å; I182-E184 VanDerWaalsContact C-N 3.35Å
183	M	96.5	Very high	97.4	Very high	19 Å²	19	42 Å²	42	9%	0.094	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-87.2	0.8	-179.4	-65.5	-63.9	101.9	0	0	113.5	L160 T179 G180 A181 N185 V186 A187	L160-M183 HydrophobicContact CD2-CB 3.88Å; L160-M183 HydrophobicContact CD2-CG 4.25Å; L160-M183 HydrophobicContact CD2-SD 4.2Å; T179-M183 HydrophobicContact CG2-CB 3.75Å; T179-M183 HydrophobicContact CG2-CG 4.34Å; G180-M183 WeakPolarHBondContact O-CB 3.36Å; G180-M183 PolarHBondContact O-N 2.77Å; A181-M183 PolarHBondContact O-N 2.78Å; A181-M183 VanDerWaalsContact O-N 3.11Å; M183-N185 PolarHBondContact O-N 2.75Å; M183-V186 PolarHBondContact O-N 3.47Å; M183-A187 VanDerWaalsContact O-CB 3.32Å; M183-A187 WeakPolarHBondContact O-CB 3.34Å; M183-A187 PolarHBondContact O-N 3.18Å
184	E	97.7	Very high	97.5	Very high	77 Å²	77	47.5 Å²	47.5	36%	0.36	24%	0.242	S	C	.	.	H	α-helix	trans	-50.9	-50.4	-173.6	175.1	174.4	-164.2	0	0	113.5	A181 I182 A187 K188 M195 F213	A181-E184 WeakPolarHBondContact O-CB 3.27Å; A181-E184 PolarHBondContact O-N 3.38Å; A181-E184 VanDerWaalsContact O-N 3.14Å; I182-E184 VanDerWaalsContact C-N 3.35Å; E184-A187 PolarHBondContact O-N 3.09Å; E184-K188 VanDerWaalsContact O-CB 3.28Å; E184-K188 WeakPolarHBondContact O-CB 3.49Å; E184-K188 PolarHBondContact O-N 3.14Å; E184-M195 HydrophobicContact CB-CE 4.16Å; E184-M195 HydrophobicContact CG-CE 4.2Å; E184-M195 WeakPolarHBondContact OE2-CE 3.01Å; E184-F213 HydrophobicContact CB-CE1 3.74Å; E184-F213 HydrophobicContact CB-CZ 4.18Å; E184-F213 HydrophobicContact CG-CE1 3.87Å
185	N	98	Very high	97.4	Very high	113 Å²	113	47 Å²	47	60%	0.604	24%	0.242	S	C	*	.	H	α-helix	trans	-64.3	-45.9	-176.4	-70.4	-30.7	0	0	0	111.5	M183 K188 E189	M183-N185 PolarHBondContact O-N 2.75Å; N185-K188 PolarHBondContact O-N 3.45Å; N185-E189 WeakPolarHBondContact O-CG 3.47Å; N185-E189 PolarHBondContact O-N 3.31Å
186	V	98.1	Very high	97.4	Very high	22 Å²	22	47.1 Å²	47.1	13%	0.133	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-46.7	178.4	-179.1	0	0	0	0	110.4	E157 L160 M183 K188 E189 L190	E157-V186 HydrophobicContact CG-CG1 3.97Å; E157-V186 HydrophobicContact CG-CG2 4.16Å; L160-V186 HydrophobicContact CD2-CB 4.01Å; L160-V186 HydrophobicContact CD2-CG1 3.71Å; L160-V186 HydrophobicContact CG-CG1 4.27Å; M183-V186 PolarHBondContact O-N 3.47Å; V186-K188 VanDerWaalsContact C-N 3.31Å; V186-K188 PolarHBondContact O-N 3.48Å; V186-E189 PolarHBondContact O-N 2.94Å; V186-L190 HydrophobicContact CG1-CD1 3.62Å; V186-L190 HydrophobicContact CG1-CG 4.23Å; V186-L190 WeakPolarHBondContact O-CB 3.39Å; V186-L190 VanDerWaalsContact O-CG 3.32Å; V186-L190 WeakPolarHBondContact O-CG 3.28Å; V186-L190 PolarHBondContact O-N 3.21Å
187	A	98.4	Very high	97.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-42.4	178.2	0	0	0	0	0	111.8	L160 L177 M183 E184 L191 V193	L160-A187 HydrophobicContact CD2-CB 4.13Å; L177-A187 HydrophobicContact CD2-CB 3.59Å; M183-A187 VanDerWaalsContact O-CB 3.32Å; M183-A187 WeakPolarHBondContact O-CB 3.34Å; M183-A187 PolarHBondContact O-N 3.18Å; E184-A187 PolarHBondContact O-N 3.09Å; A187-L191 WeakPolarHBondContact O-CB 3.28Å; A187-L191 PolarHBondContact O-N 2.92Å; A187-V193 HydrophobicContact CB-CG2 3.71Å; A187-V193 WeakPolarHBondContact O-CG2 3.5Å
188	K	98.5	Very high	97.1	Very high	121 Å²	121	51.9 Å²	51.9	53%	0.526	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-43.6	176.6	-178.8	-178.1	176.6	-175	0	112.1	E184 N185 V186 G192 V193	E184-K188 VanDerWaalsContact O-CB 3.28Å; E184-K188 WeakPolarHBondContact O-CB 3.49Å; E184-K188 PolarHBondContact O-N 3.14Å; N185-K188 PolarHBondContact O-N 3.45Å; V186-K188 VanDerWaalsContact C-N 3.31Å; V186-K188 PolarHBondContact O-N 3.48Å; K188-G192 WeakPolarHBondContact O-CA 3.37Å; K188-G192 PolarHBondContact O-N 2.98Å; K188-V193 WeakPolarHBondContact CA-O 2.94Å
189	E	98.5	Very high	97	Very high	165 Å²	165	56.3 Å²	56.3	77%	0.771	30%	0.302	S	S	*	.	H	α-helix	trans	-67.1	-43.1	179	-73.9	178.7	-174.1	0	0	112.4	N185 V186	N185-E189 WeakPolarHBondContact O-CG 3.47Å; N185-E189 PolarHBondContact O-N 3.31Å; V186-E189 PolarHBondContact O-N 2.94Å
190	L	98.4	Very high	96.9	Very high	52 Å²	52	56.8 Å²	56.8	27%	0.272	31%	0.306	S	S	.	.	H	α-helix	trans	-77.7	-38.7	-176.3	-66.2	174.7	0	0	0	113.7	L160 I161 A164 Q168 V186	L160-L190 HydrophobicContact CG-CD1 4.14Å; I161-L190 HydrophobicContact CB-CD1 4.46Å; I161-L190 HydrophobicContact CG1-CD1 3.83Å; I161-L190 HydrophobicContact CG1-CD2 4.35Å; A164-L190 HydrophobicContact CB-CB 4.05Å; A164-L190 HydrophobicContact CB-CD1 3.95Å; Q168-L190 PolarHBondContact NE2-O 3Å; V186-L190 HydrophobicContact CG1-CD1 3.62Å; V186-L190 HydrophobicContact CG1-CG 4.23Å; V186-L190 WeakPolarHBondContact O-CB 3.39Å; V186-L190 VanDerWaalsContact O-CG 3.32Å; V186-L190 WeakPolarHBondContact O-CG 3.28Å; V186-L190 PolarHBondContact O-N 3.21Å
191	L	98.6	Very high	97	Very high	16 Å²	16	63.5 Å²	63.5	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-123.6	-6.3	-166.3	-60.5	169.1	0	0	0	113.4	A164 I167 Q168 V175 L177 A187 V193	A164-L191 HydrophobicContact CB-CD1 4.27Å; A164-L191 HydrophobicContact CB-CD2 3.87Å; A164-L191 HydrophobicContact CB-CG 4.09Å; I167-L191 HydrophobicContact CB-CD2 4.1Å; I167-L191 HydrophobicContact CD1-CD1 3.75Å; I167-L191 HydrophobicContact CD1-CD2 4.44Å; I167-L191 HydrophobicContact CG2-CD2 3.81Å; Q168-L191 HydrophobicContact CG-CD2 4.08Å; V175-L191 HydrophobicContact CG1-CD1 4.34Å; L177-L191 HydrophobicContact CD2-CD1 4.21Å; A187-L191 WeakPolarHBondContact O-CB 3.28Å; A187-L191 PolarHBondContact O-N 2.92Å; L191-V193 HydrophobicContact CB-CG1 3.92Å; L191-V193 HydrophobicContact CB-CG2 4.29Å; L191-V193 PolarHBondContact O-N 3.04Å
192	G	98.5	Very high	96.9	Very high	44 Å²	44	63.9 Å²	63.9	45%	0.454	33%	0.333	S	S	.	.			trans	66	16.5	-176.4	0	0	0	0	0	113.7	K188	K188-G192 WeakPolarHBondContact O-CA 3.37Å; K188-G192 PolarHBondContact O-N 2.98Å
193	V	98.6	Very high	96.6	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.006	33%	0.33	C	S	.	.			trans	-78	154.9	179.9	-62.5	0	0	0	0	111.3	V175 L177 A187 K188 L191 F213 V214 N215	V175-V193 HydrophobicContact CB-CG1 4.02Å; V175-V193 HydrophobicContact CG1-CG1 3.95Å; L177-V193 HydrophobicContact CD2-CG2 4.32Å; A187-V193 HydrophobicContact CB-CG2 3.71Å; A187-V193 WeakPolarHBondContact O-CG2 3.5Å; K188-V193 WeakPolarHBondContact CA-O 2.94Å; L191-V193 HydrophobicContact CB-CG1 3.92Å; L191-V193 HydrophobicContact CB-CG2 4.29Å; L191-V193 PolarHBondContact O-N 3.04Å; V193-F213 HydrophobicContact CB-CB 3.77Å; V193-F213 HydrophobicContact CG2-CB 3.59Å; V193-F213 HydrophobicContact CG2-CG 4.37Å; V193-V214 CarbonylContact C-O 3.45Å; V193-V214 WeakPolarHBondContact CA-O 3.42Å; V193-N215 HydrophobicContact CG1-CB 3.96Å
194	K	98.3	Very high	96	Very high	150 Å²	150	68.6 Å²	68.6	65%	0.652	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	144.6	177.8	-63.4	179.7	-176.7	175.2	0	109.6	F213 V214	K194-F213 CarbonylContact O-C 3.51Å; K194-F213 WeakPolarHBondContact O-CA 3.36Å; K194-V214 PolarHBondContact N-O 3.03Å; K194-V214 PolarHBondContact O-N 3.48Å
195	M	98	Very high	95	Very high	59 Å²	59	73 Å²	73	29%	0.291	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	135.8	178.4	-167.1	-176.7	-64.2	0	0	110.9	E184 R211 F213	E184-M195 HydrophobicContact CB-CE 4.16Å; E184-M195 HydrophobicContact CG-CE 4.2Å; E184-M195 WeakPolarHBondContact OE2-CE 3.01Å; M195-R211 HydrophobicContact CE-CB 4.49Å; M195-R211 HydrophobicContact CE-CG 4.02Å; M195-R211 HydrophobicContact CG-CB 4.15Å; M195-R211 HydrophobicContact CG-CG 4.15Å; M195-R211 HydrophobicContact SD-CB 4.4Å; M195-R211 HydrophobicContact SD-CG 3.78Å; M195-F213 VanDerWaalsContact CA-CD1 3.45Å; M195-F213 HydrophobicContact CB-CD1 3.81Å; M195-F213 HydrophobicContact CB-CE1 3.68Å; M195-F213 HydrophobicContact CE-CE1 3.79Å; M195-F213 HydrophobicContact CE-CZ 4.02Å; M195-F213 HydrophobicContact CG-CD1 4.3Å; M195-F213 HydrophobicContact CG-CE1 3.9Å; M195-F213 HydrophobicContact CG-CZ 4.42Å
196	C	97.7	Very high	94.1	Very high	7 Å²	7	69.8 Å²	69.8	5%	0.047	36%	0.358	C	S	.	.			trans	-97.8	163.9	172.7	-84.9	0	0	0	0	112.1	F198 C212 V214 L221 C222	C196-F198 VanDerWaalsContact C-N 3.34Å; C196-C212 HydrophobicContact CB-CB 4.44Å; C196-C212 PolarHBondContact N-O 3.19Å; C196-V214 WeakPolarHBondContact SG-CG2 3.49Å; C196-L221 HydrophobicContact CB-CB 4.01Å; C196-L221 VanDerWaalsContact CB-O 3.28Å; C196-L221 WeakPolarHBondContact CB-O 3.5Å; C196-L221 VanDerWaalsContact SG-CB 3.6Å; C196-C222 WeakPolarHBondContact CA-SG 3.46Å; C196-C222 HydrophobicContact CB-CB 4.17Å; C196-C222 WeakPolarHBondContact CB-SG 3.47Å; C196-C222 WeakPolarHBondContact SG-CB 3.49Å; C196-C222 CovalentContact SG-SG 2.06Å; C196-C222 PolarHBondContact SG-SG 3.07Å
197	G	95.5	Very high	93.2	Very high	56 Å²	56	74.9 Å²	74.9	58%	0.577	40%	0.395	S	S	*	.	S	Bend	trans	-74.7	-22.6	176.7	0	0	0	0	0	113.8	L221	G197-L221 PolarHBondContact N-O 2.89Å; G197-L221 VanDerWaalsContact N-O 3.16Å
198	F	96.8	Very high	92.6	Very high	45 Å²	45	79.4 Å²	79.4	20%	0.197	42%	0.419	C	S	.	.			trans	-65	131.8	177.6	-179.6	-100.5	0	0	0	112.6	T66 V69 L70 C196 P200 C212 L221	T66-F198 HydrophobicContact CG2-CE1 4.12Å; T66-F198 HydrophobicContact CG2-CZ 4.21Å; V69-F198 HydrophobicContact CB-CE2 4.14Å; V69-F198 HydrophobicContact CB-CZ 3.99Å; V69-F198 HydrophobicContact CG1-CD2 4.15Å; V69-F198 HydrophobicContact CG1-CE1 4.35Å; V69-F198 HydrophobicContact CG1-CE2 3.68Å; V69-F198 HydrophobicContact CG1-CZ 3.79Å; V69-F198 HydrophobicContact CG2-CE2 4.32Å; L70-F198 HydrophobicContact CD2-CE1 4.17Å; L70-F198 HydrophobicContact CG-CE1 4.49Å; C196-F198 VanDerWaalsContact C-N 3.34Å; F198-P200 HydrophobicContact CE1-CB 4.26Å; F198-P200 WeakPolarHBondContact O-CD 3.43Å; F198-C212 HydrophobicContact CD1-CB 4.44Å; F198-L221 HydrophobicContact CB-CB 4.18Å; F198-L221 HydrophobicContact CB-CD2 3.95Å; F198-L221 WeakPolarHBondContact CB-O 3.36Å; F198-L221 HydrophobicContact CD1-CD2 3.87Å; F198-L221 HydrophobicContact CD2-CD2 4.44Å; F198-L221 HydrophobicContact CG-CD2 3.83Å; F198-L221 PolarHBondContact N-O 3.35Å
199	L	95.7	Very high	92.2	Very high	92 Å²	92	79 Å²	79	48%	0.482	42%	0.419	S	S	.	.			trans	-107.3	103.7	-177.6	-62.3	-174.7	0	0	0	110.5
200	P	95.1	Very high	92	Very high	12 Å²	12	72.3 Å²	72.3	8%	0.078	39%	0.388	C	S	.	.			trans	-69.1	139.4	179.8	29.5	-34	0	0	0	110.8	Y62 T66 F198 F210	Y62-P200 HydrophobicContact CD1-CB 4.28Å; Y62-P200 HydrophobicContact CE1-CB 3.85Å; T66-P200 HydrophobicContact CG2-CB 3.68Å; F198-P200 HydrophobicContact CE1-CB 4.26Å; F198-P200 WeakPolarHBondContact O-CD 3.43Å; P200-F210 HydrophobicContact CG-CB 3.96Å
201	K	94.1	Very high	91.9	Very high	142 Å²	142	72.1 Å²	72.1	62%	0.617	38%	0.383	S	S	*	.			trans	-115.6	149.5	176.6	-63.6	179.3	-178.3	175.3	0	110.5	Y62 S63 T66	Y62-K201 CarbonylContact C-O 3.51Å; Y62-K201 WeakPolarHBondContact CA-O 2.96Å; Y62-K201 WeakPolarHBondContact CD1-O 3.41Å; S63-K201 PolarHBondContact N-O 3.48Å; T66-K201 WeakPolarHBondContact CB-O 3.41Å; T66-K201 PolarHBondContact OG1-N 2.87Å; T66-K201 PolarHBondContact OG1-O 3.46Å
202	H	91.9	Very high	91.8	Very high	27 Å²	27	71.4 Å²	71.4	13%	0.125	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-113.7	156.5	177.3	-59.8	81.6	0	0	0	109.9	W61 Y62 R204 L206 F210	W61-H202 CarbonylContact O-C 3.54Å; W61-H202 VanDerWaalsContact O-CA 3.24Å; W61-H202 WeakPolarHBondContact O-CA 3.5Å; W61-H202 WeakPolarHBondContact O-CB 3.46Å; Y62-H202 AromaticContact CD1-CD2 3.84Å; Y62-H202 AromaticContact CD1-NE2 3.65Å; Y62-H202 AromaticContact CE1-CD2 3.95Å; Y62-H202 AromaticContact CE1-CE1 3.67Å; Y62-H202 AromaticContact CE1-NE2 3.27Å; Y62-H202 VanDerWaalsContact CE1-NE2 3.27Å; Y62-H202 WeakPolarHBondContact CE1-NE2 3.37Å; H202-R204 WeakPolarHBondContact CB-O 3.24Å; H202-R204 PolarHBondContact O-N 3.2Å; H202-L206 HydrophobicContact CB-CD1 4.24Å; H202-L206 HydrophobicContact CB-CG 4.46Å; H202-F210 AromaticContact CE1-CD1 3.98Å; H202-F210 AromaticContact CE1-CD2 3.95Å; H202-F210 AromaticContact CE1-CG 3.73Å
203	N	86.6	Confident	91.8	Very high	105 Å²	105	69.3 Å²	69.3	56%	0.561	36%	0.358	S	S	*	.	S	Bend	trans	-62.5	-31.3	175.8	-71.5	-34	0	0	0	111.8	W61 Y62 S63	W61-N203 PolarHBondContact O-N 3.41Å; Y62-N203 PolarHBondContact O-ND2 2.88Å; S63-N203 WeakPolarHBondContact CA-OD1 3.41Å
204	R	83.1	Confident	91.8	Very high	134 Å²	134	69.5 Å²	69.5	51%	0.506	36%	0.359	S	S	.	.	S	Bend	trans	-105	146	174.2	-60	-165.7	179.8	152.7	-5.6	110.6	E53 H202 L206	E53-R204 WeakPolarHBondContact OE2-CD 3.25Å; E53-R204 IonicContact OE2-CZ 2.79Å; E53-R204 IonicContact OE2-NE 3.82Å; E53-R204 PolarHBondContact OE2-NE 3.07Å; E53-R204 IonicContact OE2-NH1 2.93Å; E53-R204 PolarHBondContact OE2-NH1 2.86Å; E53-R204 IonicContact OE2-NH2 2.6Å; H202-R204 WeakPolarHBondContact CB-O 3.24Å; H202-R204 PolarHBondContact O-N 3.2Å; R204-L206 PolarHBondContact O-N 3.41Å
205	N	76.3	Confident	91.9	Very high	169 Å²	169	65.2 Å²	65.2	90%	0.904	34%	0.343	S	S	*	.			trans	-70	121.1	174.1	-80.2	-14.7	0	0	0	110.1
206	L	80.5	Confident	91.9	Very high	46 Å²	46	63.5 Å²	63.5	24%	0.241	33%	0.334	C	S	.	.			trans	-103.3	140.5	172.4	-55.4	-179.5	0	0	0	109.2	F60 H202 R204 N208 F210	F60-L206 HydrophobicContact CB-CD1 3.96Å; F60-L206 HydrophobicContact CB-CD2 4.35Å; F60-L206 HydrophobicContact CD1-CD1 4.44Å; F60-L206 HydrophobicContact CD1-CD2 3.35Å; F60-L206 HydrophobicContact CD1-CG 4.47Å; F60-L206 HydrophobicContact CD2-CD1 4.34Å; F60-L206 HydrophobicContact CD2-CD2 4.3Å; F60-L206 HydrophobicContact CE1-CD2 3.54Å; F60-L206 HydrophobicContact CE2-CD2 4.48Å; F60-L206 HydrophobicContact CG-CD1 3.99Å; F60-L206 HydrophobicContact CG-CD2 3.74Å; F60-L206 HydrophobicContact CG-CG 4.5Å; F60-L206 HydrophobicContact CZ-CD2 4.12Å; H202-L206 HydrophobicContact CB-CD1 4.24Å; H202-L206 HydrophobicContact CB-CG 4.46Å; R204-L206 PolarHBondContact O-N 3.41Å; L206-N208 VanDerWaalsContact C-N 3.27Å; L206-F210 HydrophobicContact CB-CE2 4.12Å; L206-F210 HydrophobicContact CD1-CD2 4.08Å; L206-F210 HydrophobicContact CD1-CE2 3.44Å; L206-F210 VanDerWaalsContact CD1-CE2 3.44Å; L206-F210 HydrophobicContact CD1-CZ 3.91Å; L206-F210 HydrophobicContact CG-CE2 4.42Å
207	S	79	Confident	91.8	Very high	130 Å²	130	68.8 Å²	68.8	91%	0.909	37%	0.368	S	S	*	.	S	Bend	trans	-72.8	-24	177.4	-54.1	0	0	0	0	112.8
208	N	85.2	Confident	91.8	Very high	95 Å²	95	66.5 Å²	66.5	51%	0.508	34%	0.343	S	S	.	.	S	Bend	trans	-82.4	142.9	179.8	-63	-47.5	0	0	0	110.6	L155 L206 F210	L155-N208 HydrophobicContact CD1-CB 3.63Å; L155-N208 WeakPolarHBondContact CD1-ND2 3.35Å; L206-N208 VanDerWaalsContact C-N 3.27Å; N208-F210 HydrophobicContact CB-CD2 4.36Å; N208-F210 HydrophobicContact CB-CE2 3.89Å; N208-F210 WeakPolarHBondContact O-CD2 3.37Å; N208-F210 PolarHBondContact O-N 3.3Å
209	E	90.1	Very high	91.7	Very high	111 Å²	111	70.6 Å²	70.6	52%	0.519	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-80.1	118.3	172.8	-178.7	169.6	-144	0	0	109.9	G180 A181 R211	G180-E209 CarbonylContact C-O 3.52Å; G180-E209 WeakPolarHBondContact CA-O 3.47Å; A181-E209 HydrophobicContact CB-CB 4.32Å; A181-E209 HydrophobicContact CB-CG 4.13Å; A181-E209 PolarHBondContact N-O 2.92Å; E209-R211 VanDerWaalsContact CD-NH1 3.25Å; E209-R211 IonicContact OE1-CZ 2.68Å; E209-R211 IonicContact OE1-NH1 3Å; E209-R211 PolarHBondContact OE1-NH1 3.36Å; E209-R211 IonicContact OE1-NH2 2.63Å; E209-R211 PolarHBondContact OE1-NH2 3.49Å
210	F	93.3	Very high	91.6	Very high	25 Å²	25	68.5 Å²	68.5	11%	0.11	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	150.7	176.1	-76.7	-102.2	0	0	0	111.7	L155 T179 P200 H202 L206 N208	L155-F210 HydrophobicContact CD1-CZ 4.2Å; L155-F210 HydrophobicContact CD2-CE1 4.18Å; L155-F210 HydrophobicContact CD2-CZ 4.34Å; L155-F210 HydrophobicContact CG-CZ 4.49Å; T179-F210 WeakPolarHBondContact O-CA 3.47Å; P200-F210 HydrophobicContact CG-CB 3.96Å; H202-F210 AromaticContact CE1-CD1 3.98Å; H202-F210 AromaticContact CE1-CD2 3.95Å; H202-F210 AromaticContact CE1-CG 3.73Å; L206-F210 HydrophobicContact CB-CE2 4.12Å; L206-F210 HydrophobicContact CD1-CD2 4.08Å; L206-F210 HydrophobicContact CD1-CE2 3.44Å; L206-F210 VanDerWaalsContact CD1-CE2 3.44Å; L206-F210 HydrophobicContact CD1-CZ 3.91Å; L206-F210 HydrophobicContact CG-CE2 4.42Å; N208-F210 HydrophobicContact CB-CD2 4.36Å; N208-F210 HydrophobicContact CB-CE2 3.89Å; N208-F210 WeakPolarHBondContact O-CD2 3.37Å; N208-F210 PolarHBondContact O-N 3.3Å
211	R	96.9	Very high	91.6	Very high	49 Å²	49	68 Å²	68	19%	0.185	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	157.3	-179.4	-73.7	-64.9	-167.4	-88.5	-1.3	110.8	C178 T179 A181 M195 E209 F213	C178-R211 WeakPolarHBondContact CA-O 3.39Å; T179-R211 PolarHBondContact N-O 2.63Å; T179-R211 VanDerWaalsContact N-O 3.14Å; T179-R211 PolarHBondContact O-N 3.08Å; A181-R211 HydrophobicContact CB-CG 3.88Å; M195-R211 HydrophobicContact CE-CB 4.49Å; M195-R211 HydrophobicContact CE-CG 4.02Å; M195-R211 HydrophobicContact CG-CB 4.15Å; M195-R211 HydrophobicContact CG-CG 4.15Å; M195-R211 HydrophobicContact SD-CB 4.4Å; M195-R211 HydrophobicContact SD-CG 3.78Å; E209-R211 VanDerWaalsContact CD-NH1 3.25Å; E209-R211 IonicContact OE1-CZ 2.68Å; E209-R211 IonicContact OE1-NH1 3Å; E209-R211 PolarHBondContact OE1-NH1 3.36Å; E209-R211 IonicContact OE1-NH2 2.63Å; E209-R211 PolarHBondContact OE1-NH2 3.49Å; R211-F213 HydrophobicContact CB-CD2 4.38Å; R211-F213 HydrophobicContact CB-CE1 4.49Å; R211-F213 HydrophobicContact CB-CE2 3.56Å; R211-F213 HydrophobicContact CB-CZ 3.63Å
212	C	97.6	Very high	91.4	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	143	169.4	-64.1	0	0	0	0	109.8	L177 C178 C196 F198	L177-C212 CarbonylContact O-C 3.56Å; L177-C212 WeakPolarHBondContact O-CA 3.07Å; C178-C212 PolarHBondContact SG-SG 3.23Å; C196-C212 HydrophobicContact CB-CB 4.44Å; C196-C212 PolarHBondContact N-O 3.19Å; F198-C212 HydrophobicContact CD1-CB 4.44Å
213	F	98.6	Very high	90.5	Very high	1 Å²	1	69.6 Å²	69.6	0%	0.004	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.3	-179.6	-52.7	-99.9	0	0	0	109.9	L177 T179 E184 V193 K194 M195 R211	L177-F213 HydrophobicContact CB-CB 4.32Å; L177-F213 PolarHBondContact N-O 3.35Å; L177-F213 PolarHBondContact O-N 2.84Å; T179-F213 HydrophobicContact CG2-CD2 4.08Å; T179-F213 HydrophobicContact CG2-CE2 3.69Å; E184-F213 HydrophobicContact CB-CE1 3.74Å; E184-F213 HydrophobicContact CB-CZ 4.18Å; E184-F213 HydrophobicContact CG-CE1 3.87Å; V193-F213 HydrophobicContact CB-CB 3.77Å; V193-F213 HydrophobicContact CG2-CB 3.59Å; V193-F213 HydrophobicContact CG2-CG 4.37Å; K194-F213 CarbonylContact O-C 3.51Å; K194-F213 WeakPolarHBondContact O-CA 3.36Å; M195-F213 VanDerWaalsContact CA-CD1 3.45Å; M195-F213 HydrophobicContact CB-CD1 3.81Å; M195-F213 HydrophobicContact CB-CE1 3.68Å; M195-F213 HydrophobicContact CE-CE1 3.79Å; M195-F213 HydrophobicContact CE-CZ 4.02Å; M195-F213 HydrophobicContact CG-CD1 4.3Å; M195-F213 HydrophobicContact CG-CE1 3.9Å; M195-F213 HydrophobicContact CG-CZ 4.42Å; R211-F213 HydrophobicContact CB-CD2 4.38Å; R211-F213 HydrophobicContact CB-CE1 4.49Å; R211-F213 HydrophobicContact CB-CE2 3.56Å; R211-F213 HydrophobicContact CB-CZ 3.63Å
214	V	98.8	Very high	90.7	Very high	5 Å²	5	67.8 Å²	67.8	3%	0.03	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	154.7	178.9	-59.4	0	0	0	0	111.8	V175 L176 V193 K194 C196 Y216 L221	V175-V214 WeakPolarHBondContact O-CA 3.28Å; L176-V214 HydrophobicContact CB-CG1 4.39Å; L176-V214 HydrophobicContact CG-CG1 4.08Å; V193-V214 CarbonylContact C-O 3.45Å; V193-V214 WeakPolarHBondContact CA-O 3.42Å; K194-V214 PolarHBondContact N-O 3.03Å; K194-V214 PolarHBondContact O-N 3.48Å; C196-V214 WeakPolarHBondContact SG-CG2 3.49Å; V214-Y216 HydrophobicContact CB-CD1 4.24Å; V214-Y216 HydrophobicContact CB-CD2 4.47Å; V214-Y216 HydrophobicContact CB-CE1 3.93Å; V214-Y216 HydrophobicContact CB-CE2 4.12Å; V214-Y216 HydrophobicContact CG1-CE1 4.09Å; V214-Y216 HydrophobicContact CG1-CE2 4.12Å; V214-Y216 VanDerWaalsContact CG2-O 3.26Å; V214-Y216 WeakPolarHBondContact CG2-O 3.34Å; V214-L221 HydrophobicContact CG1-CD1 4.05Å
215	N	98.6	Very high	91.1	Very high	60 Å²	60	64.3 Å²	64.3	32%	0.321	37%	0.368	S	S	.	.	S	Bend	trans	-108.2	17.1	175	69.8	-6.2	0	0	0	113.4	G173 K174 V175 V193	G173-N215 PolarHBondContact O-ND2 3.14Å; G173-N215 PolarHBondContact O-OD1 3.26Å; K174-N215 WeakPolarHBondContact CA-OD1 3.27Å; V175-N215 PolarHBondContact N-OD1 3.08Å; V175-N215 PolarHBondContact O-N 2.68Å; V193-N215 HydrophobicContact CG1-CB 3.96Å
216	Y	98.1	Very high	91.9	Very high	23 Å²	23	58.5 Å²	58.5	9%	0.09	34%	0.339	C	S	.	.	S	Bend	trans	-136.5	160.5	179.9	56.5	-98.4	0	0	0	110.3	E73 Q77 I147 K174 V175 V214 S218	E73-Y216 VanDerWaalsContact OE1-CE2 3.25Å; E73-Y216 WeakPolarHBondContact OE1-CE2 3.49Å; Q77-Y216 HydrophobicContact CG-CD2 4.11Å; Q77-Y216 HydrophobicContact CG-CE2 3.48Å; Q77-Y216 VanDerWaalsContact CG-CE2 3.48Å; I147-Y216 HydrophobicContact CD1-CE1 3.83Å; I147-Y216 WeakPolarHBondContact CD1-OH 3.24Å; K174-Y216 HydrophobicContact CB-CD1 3.66Å; K174-Y216 HydrophobicContact CB-CE1 3.97Å; K174-Y216 HydrophobicContact CD-CD1 4.22Å; K174-Y216 HydrophobicContact CD-CG 4.37Å; K174-Y216 HydrophobicContact CG-CD1 3.93Å; K174-Y216 HydrophobicContact CG-CG 4.36Å; V175-Y216 VanDerWaalsContact O-CE1 3.29Å; V175-Y216 WeakPolarHBondContact O-CE1 3.15Å; V214-Y216 HydrophobicContact CB-CD1 4.24Å; V214-Y216 HydrophobicContact CB-CD2 4.47Å; V214-Y216 HydrophobicContact CB-CE1 3.93Å; V214-Y216 HydrophobicContact CB-CE2 4.12Å; V214-Y216 HydrophobicContact CG1-CE1 4.09Å; V214-Y216 HydrophobicContact CG1-CE2 4.12Å; V214-Y216 VanDerWaalsContact CG2-O 3.26Å; V214-Y216 WeakPolarHBondContact CG2-O 3.34Å; Y216-S218 PolarHBondContact O-N 3.3Å
217	P	96.4	Very high	92.6	Very high	118 Å²	118	59.2 Å²	59.2	77%	0.766	34%	0.344	S	S	*	.			trans	-65.3	125.5	173.9	-19.1	32.5	0	0	0	111.1
218	S	96.3	Very high	93.5	Very high	7 Å²	7	54.8 Å²	54.8	5%	0.049	31%	0.309	C	S	.	.			trans	-126.9	116.2	177.7	-177.3	0	0	0	0	110.4	E73 Y216 L220 L221 C222	E73-S218 VanDerWaalsContact OE1-CB 3.3Å; E73-S218 WeakPolarHBondContact OE1-CB 3.37Å; E73-S218 PolarHBondContact OE1-OG 2.8Å; E73-S218 PolarHBondContact OE2-OG 2.99Å; Y216-S218 PolarHBondContact O-N 3.3Å; S218-L220 VanDerWaalsContact C-N 3.32Å; S218-L221 WeakPolarHBondContact OG-CB 3.47Å; S218-L221 PolarHBondContact OG-N 3.14Å; S218-L221 VanDerWaalsContact OG-N 3.11Å; S218-C222 WeakPolarHBondContact O-CB 2.86Å; S218-C222 PolarHBondContact O-N 3.32Å
219	D	93.4	Very high	94	Very high	131 Å²	131	52.1 Å²	52.1	70%	0.701	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-21.4	174.4	-60.6	-33.4	0	0	0	112	S223	D219-S223 VanDerWaalsContact O-CB 3.23Å; D219-S223 WeakPolarHBondContact O-CB 3.46Å; D219-S223 PolarHBondContact O-OG 3.34Å
220	L	94.9	Very high	94.3	Very high	48 Å²	48	47.9 Å²	47.9	25%	0.251	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-40.4	-176.9	-177.6	58.5	0	0	0	112	V69 E72 E73 S218	V69-L220 HydrophobicContact CG1-CD2 4.19Å; V69-L220 HydrophobicContact CG1-CG 4.18Å; E72-L220 HydrophobicContact CB-CD2 4.09Å; E72-L220 HydrophobicContact CG-CD2 4.02Å; E73-L220 HydrophobicContact CB-CD2 4.17Å; E73-L220 WeakPolarHBondContact OE2-CB 3.29Å; S218-L220 VanDerWaalsContact C-N 3.32Å
221	L	94.9	Very high	94.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-32.4	-176	-58.3	-174.9	0	0	0	113.1	V69 L70 E73 L176 C196 G197 F198 V214 S218	V69-L221 HydrophobicContact CG1-CD2 3.87Å; L70-L221 HydrophobicContact CD2-CD2 4.42Å; E73-L221 HydrophobicContact CB-CD1 4.18Å; E73-L221 HydrophobicContact CB-CD2 4.49Å; E73-L221 HydrophobicContact CB-CG 4.23Å; E73-L221 HydrophobicContact CG-CD1 3.71Å; E73-L221 HydrophobicContact CG-CG 3.93Å; L176-L221 HydrophobicContact CD1-CD1 3.7Å; L176-L221 HydrophobicContact CG-CD1 4.1Å; C196-L221 HydrophobicContact CB-CB 4.01Å; C196-L221 VanDerWaalsContact CB-O 3.28Å; C196-L221 WeakPolarHBondContact CB-O 3.5Å; C196-L221 VanDerWaalsContact SG-CB 3.6Å; G197-L221 PolarHBondContact N-O 2.89Å; G197-L221 VanDerWaalsContact N-O 3.16Å; F198-L221 HydrophobicContact CB-CB 4.18Å; F198-L221 HydrophobicContact CB-CD2 3.95Å; F198-L221 WeakPolarHBondContact CB-O 3.36Å; F198-L221 HydrophobicContact CD1-CD2 3.87Å; F198-L221 HydrophobicContact CD2-CD2 4.44Å; F198-L221 HydrophobicContact CG-CD2 3.83Å; F198-L221 PolarHBondContact N-O 3.35Å; V214-L221 HydrophobicContact CG1-CD1 4.05Å; S218-L221 WeakPolarHBondContact OG-CB 3.47Å; S218-L221 PolarHBondContact OG-N 3.14Å; S218-L221 VanDerWaalsContact OG-N 3.11Å
222	C	90.1	Very high	94.2	Very high	55 Å²	55	49.8 Å²	49.8	37%	0.372	30%	0.302	S	S	.	.			trans	-112	9.3	-167.3	-92.2	0	0	0	0	113.4	C196 S218	C196-C222 WeakPolarHBondContact CA-SG 3.46Å; C196-C222 HydrophobicContact CB-CB 4.17Å; C196-C222 WeakPolarHBondContact CB-SG 3.47Å; C196-C222 WeakPolarHBondContact SG-CB 3.49Å; C196-C222 CovalentContact SG-SG 2.06Å; C196-C222 PolarHBondContact SG-SG 3.07Å; S218-C222 WeakPolarHBondContact O-CB 2.86Å; S218-C222 PolarHBondContact O-N 3.32Å
223	S	72.4	Confident	93.9	Very high	148 Å²	148	54.3 Å²	54.3	100%	1.035	33%	0.33	S	S	*	.			trans	-67.4	0	171.8	59.4	0	0	0	0	113.7	D219	D219-S223 VanDerWaalsContact O-CB 3.23Å; D219-S223 WeakPolarHBondContact O-CB 3.46Å; D219-S223 PolarHBondContact O-OG 3.34Å

Retrieved 223 of 223 residues in 1222 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).