A0A096MQR7_PAPAN Loading...

EEF1A lysine methyltransferase 1

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

AlphaFold DB , UniProt , Accession A0A096MQR7, Species PAPAN (Papio anubis, Olive baboon), Gene EEF1AKMT1, Length 214 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.3	Very low	49.8	Very low	250 Å²	250	157.6 Å²	157.6	100%	1.232	84%	0.835	S	S	*	*				0	107	0	-75	-177.7	165.7	0	0	106
2	S	44.9	Very low	50.9	Low	104 Å²	104	153 Å²	153	73%	0.727	81%	0.81	S	S	*	*			trans	-99.3	137	176.4	56.6	0	0	0	0	108
3	D	42.9	Very low	52.8	Low	158 Å²	158	146.1 Å²	146.1	85%	0.845	78%	0.782	S	S	*	*			trans	-152.1	108.3	151.6	-79.6	-41.2	0	0	0	107
4	L	47.3	Very low	54.4	Low	177 Å²	177	141.8 Å²	141.8	93%	0.927	78%	0.777	S	S	*	*			trans	-115.4	102.3	162.9	-78	171.2	0	0	0	104.5	D6	L4-D6 PolarHBondContact O-N 2.99Å
5	E	48.8	Very low	55.7	Low	192 Å²	192	142.5 Å²	142.5	90%	0.897	77%	0.772	S	S	*	*			trans	-75	118.6	173.5	-69.1	-174.3	157.6	0	0	108.8	D7	E5-D7 PolarHBondContact O-N 3.34Å
6	D	48.8	Very low	56.6	Low	137 Å²	137	136.9 Å²	136.9	73%	0.733	74%	0.744	S	S	*	*			trans	-76.5	108	177.1	-166.5	16	0	0	0	108.7	L4 E8	L4-D6 PolarHBondContact O-N 2.99Å; D6-E8 PolarHBondContact O-N 3.19Å
7	D	50.3	Low	57.8	Low	145 Å²	145	133.5 Å²	133.5	78%	0.775	72%	0.724	S	S	*	*			trans	-76.1	79.3	171.6	-166.8	13.6	0	0	0	107.9	E5 T9	E5-D7 PolarHBondContact O-N 3.34Å; D7-T9 VanDerWaalsContact C-N 3.31Å; D7-T9 PolarHBondContact O-N 3.12Å
8	E	52.3	Low	59	Low	164 Å²	164	128.8 Å²	128.8	77%	0.766	71%	0.707	S	S	*	*			trans	-64.2	91.2	175.8	-80.8	-163.3	134.5	0	0	109.7	D6	D6-E8 PolarHBondContact O-N 3.19Å
9	T	56.8	Low	59.8	Low	97 Å²	97	124.6 Å²	124.6	60%	0.595	69%	0.691	S	S	*	*			trans	-55.3	125.8	166.9	54.3	0	0	0	0	109.2	D7 Q11	D7-T9 VanDerWaalsContact C-N 3.31Å; D7-T9 PolarHBondContact O-N 3.12Å; T9-Q11 PolarHBondContact O-N 2.72Å
10	P	54.9	Low	60.3	Low	133 Å²	133	121.9 Å²	121.9	86%	0.864	68%	0.675	S	S	*	*			trans	-63.1	115.2	-178.3	21.1	-29.9	0	0	0	110.5
11	Q	60.8	Low	61.1	Low	177 Å²	177	122.2 Å²	122.2	83%	0.827	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-87.9	129.5	176.5	-66.5	-171	-3.4	0	0	110.4	T9	T9-Q11 PolarHBondContact O-N 2.72Å
12	L	63	Low	63	Low	102 Å²	102	116.3 Å²	116.3	53%	0.534	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-62.1	139	173.7	-74.5	162.3	0	0	0	110.1	T16 L17	L12-T16 HydrophobicContact CD2-CG2 3.76Å; L12-L17 HydrophobicContact CB-CD1 4.22Å; L12-L17 HydrophobicContact CB-CG 4.24Å
13	S	75.7	Confident	64.5	Low	63 Å²	63	116.8 Å²	116.8	44%	0.441	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-60.7	148.5	174.3	83.8	0	0	0	0	110.5	H15 T16 L17	S13-H15 PolarHBondContact O-N 3.42Å; S13-H15 VanDerWaalsContact O-N 3.1Å; S13-T16 PolarHBondContact O-N 2.76Å; S13-T16 PolarHBondContact OG-N 2.75Å; S13-T16 VanDerWaalsContact OG-N 3.17Å; S13-T16 PolarHBondContact OG-OG1 3.34Å; S13-L17 PolarHBondContact O-N 3.2Å
14	A	75.4	Confident	65.4	Low	86 Å²	86	115.9 Å²	115.9	71%	0.711	62%	0.616	S	S	*	*	H	α-helix	trans	-54.4	-33.1	178.3	0	0	0	0	0	112.6	A18	A14-A18 WeakPolarHBondContact O-CB 3.37Å; A14-A18 PolarHBondContact O-N 3.1Å
15	H	73.8	Confident	66.6	Low	152 Å²	152	109.8 Å²	109.8	70%	0.704	59%	0.591	S	S	*	*	H	α-helix	trans	-68.7	-41.5	175.6	-174	-75.8	0	0	0	112.3	S13 A18 A19	S13-H15 PolarHBondContact O-N 3.42Å; S13-H15 VanDerWaalsContact O-N 3.1Å; H15-A18 PolarHBondContact O-N 2.89Å; H15-A19 PolarHBondContact O-N 3.09Å
16	T	69.6	Low	67.7	Low	53 Å²	53	105.9 Å²	105.9	33%	0.325	57%	0.573	S	S	.	*	H	α-helix	trans	-67.3	-38.8	177.3	-45.8	0	0	0	0	111.3	L12 S13 A19 L20	L12-T16 HydrophobicContact CD2-CG2 3.76Å; S13-T16 PolarHBondContact O-N 2.76Å; S13-T16 PolarHBondContact OG-N 2.75Å; S13-T16 VanDerWaalsContact OG-N 3.17Å; S13-T16 PolarHBondContact OG-OG1 3.34Å; T16-A19 PolarHBondContact O-N 3.11Å; T16-L20 HydrophobicContact CG2-CD1 4.12Å; T16-L20 WeakPolarHBondContact O-CD1 3.15Å; T16-L20 PolarHBondContact O-N 2.66Å
17	L	77.7	Confident	68.2	Low	79 Å²	79	103.3 Å²	103.3	41%	0.414	56%	0.556	S	S	.	*	H	α-helix	trans	-62.9	-43.7	174.5	-105.7	156.3	0	0	0	112	L12 S13 L20 Q21	L12-L17 HydrophobicContact CB-CD1 4.22Å; L12-L17 HydrophobicContact CB-CG 4.24Å; S13-L17 PolarHBondContact O-N 3.2Å; L17-L20 PolarHBondContact O-N 2.84Å; L17-Q21 WeakPolarHBondContact O-CB 3.4Å; L17-Q21 VanDerWaalsContact O-CG 3.3Å; L17-Q21 WeakPolarHBondContact O-CG 3.17Å; L17-Q21 PolarHBondContact O-N 2.79Å
18	A	78.1	Confident	68.6	Low	50 Å²	50	104.1 Å²	104.1	41%	0.413	55%	0.553	S	S	.	*	H	α-helix	trans	-62.8	-45.4	176.3	0	0	0	0	0	111.7	A14 H15 L20 Q21 E22	A14-A18 WeakPolarHBondContact O-CB 3.37Å; A14-A18 PolarHBondContact O-N 3.1Å; H15-A18 PolarHBondContact O-N 2.89Å; A18-L20 VanDerWaalsContact C-N 3.34Å; A18-L20 PolarHBondContact O-N 2.89Å; A18-Q21 PolarHBondContact O-N 2.82Å; A18-E22 WeakPolarHBondContact O-CB 3.38Å; A18-E22 PolarHBondContact O-N 2.99Å
19	A	74.4	Confident	68.6	Low	48 Å²	48	103.2 Å²	103.2	40%	0.397	55%	0.548	S	S	.	.	H	α-helix	trans	-62.5	-38.6	176.6	0	0	0	0	0	112.6	H15 T16 F23	H15-A19 PolarHBondContact O-N 3.09Å; T16-A19 PolarHBondContact O-N 3.11Å; A19-F23 WeakPolarHBondContact O-CB 2.99Å; A19-F23 PolarHBondContact O-N 3.19Å
20	L	70.1	Confident	68.2	Low	71 Å²	71	105.8 Å²	105.8	37%	0.372	55%	0.554	S	S	.	*	H	α-helix	trans	-65.5	-41.7	173.5	-106.6	95.3	0	0	0	112	T16 L17 A18 F23 Y24	T16-L20 HydrophobicContact CG2-CD1 4.12Å; T16-L20 WeakPolarHBondContact O-CD1 3.15Å; T16-L20 PolarHBondContact O-N 2.66Å; L17-L20 PolarHBondContact O-N 2.84Å; A18-L20 VanDerWaalsContact C-N 3.34Å; A18-L20 PolarHBondContact O-N 2.89Å; L20-F23 PolarHBondContact O-N 3.05Å; L20-Y24 HydrophobicContact CD2-CE2 3.9Å; L20-Y24 WeakPolarHBondContact O-CD2 3.46Å; L20-Y24 PolarHBondContact O-N 2.94Å
21	Q	77.1	Confident	67.9	Low	128 Å²	128	104.1 Å²	104.1	60%	0.598	54%	0.537	S	S	*	.	H	α-helix	trans	-65.5	-40.1	178.8	-75.5	174.9	-7.9	0	0	111.8	L17 A18 Y24 A25	L17-Q21 WeakPolarHBondContact O-CB 3.4Å; L17-Q21 VanDerWaalsContact O-CG 3.3Å; L17-Q21 WeakPolarHBondContact O-CG 3.17Å; L17-Q21 PolarHBondContact O-N 2.79Å; A18-Q21 PolarHBondContact O-N 2.82Å; Q21-Y24 PolarHBondContact O-N 3.4Å; Q21-A25 WeakPolarHBondContact O-CB 3.35Å; Q21-A25 PolarHBondContact O-N 2.92Å
22	E	79.9	Confident	67.2	Low	126 Å²	126	102.9 Å²	102.9	59%	0.589	54%	0.535	S	S	*	.	H	α-helix	trans	-63.7	-46.3	174.9	-164.4	165.4	-152	0	0	110.7	A18 Y24 A25 E26	A18-E22 WeakPolarHBondContact O-CB 3.38Å; A18-E22 PolarHBondContact O-N 2.99Å; E22-Y24 PolarHBondContact O-N 3.06Å; E22-A25 WeakPolarHBondContact O-CB 3.45Å; E22-A25 PolarHBondContact O-N 2.77Å; E22-A25 VanDerWaalsContact O-N 3.1Å; E22-E26 WeakPolarHBondContact O-CG 3.42Å; E22-E26 PolarHBondContact O-N 3.39Å
23	F	76.6	Confident	66.2	Low	114 Å²	114	103.8 Å²	103.8	50%	0.5	54%	0.54	S	S	.	.	H	α-helix	trans	-58.2	-42.5	173.5	178.9	-104	0	0	0	113.3	A19 L20 Q27	A19-F23 WeakPolarHBondContact O-CB 2.99Å; A19-F23 PolarHBondContact O-N 3.19Å; L20-F23 PolarHBondContact O-N 3.05Å; F23-Q27 VanDerWaalsContact CZ-NE2 3.31Å; F23-Q27 PolarHBondContact O-N 3.24Å
24	Y	62.2	Low	64.6	Low	140 Å²	140	103.3 Å²	103.3	55%	0.549	55%	0.545	S	S	.	.	H	α-helix	trans	-68.4	-33.7	175.3	-76	-54.1	0	0	0	112.8	L20 Q21 E22 K28	L20-Y24 HydrophobicContact CD2-CE2 3.9Å; L20-Y24 WeakPolarHBondContact O-CD2 3.46Å; L20-Y24 PolarHBondContact O-N 2.94Å; Q21-Y24 PolarHBondContact O-N 3.4Å; E22-Y24 PolarHBondContact O-N 3.06Å; Y24-K28 WeakPolarHBondContact O-CB 3.43Å; Y24-K28 PolarHBondContact O-N 2.96Å
25	A	73.2	Confident	63.3	Low	49 Å²	49	107.9 Å²	107.9	41%	0.405	55%	0.552	S	S	.	*	H	α-helix	trans	-69.7	-40.7	176.6	0	0	0	0	0	111.7	Q21 E22 K28 Q29	Q21-A25 WeakPolarHBondContact O-CB 3.35Å; Q21-A25 PolarHBondContact O-N 2.92Å; E22-A25 WeakPolarHBondContact O-CB 3.45Å; E22-A25 PolarHBondContact O-N 2.77Å; E22-A25 VanDerWaalsContact O-N 3.1Å; A25-K28 PolarHBondContact O-N 3.19Å; A25-Q29 PolarHBondContact O-N 2.95Å
26	E	70.8	Confident	62	Low	110 Å²	110	107 Å²	107	51%	0.514	55%	0.552	S	S	.	*	H	α-helix	trans	-62.5	-44.5	173.6	-71.9	178.3	170.8	0	0	111.7	E22 K28 Q29 Q30	E22-E26 WeakPolarHBondContact O-CG 3.42Å; E22-E26 PolarHBondContact O-N 3.39Å; E26-K28 VanDerWaalsContact C-N 3.29Å; E26-K28 PolarHBondContact O-N 2.9Å; E26-Q29 PolarHBondContact O-N 3.25Å; E26-Q30 PolarHBondContact O-N 2.86Å
27	Q	59.1	Low	60.8	Low	83 Å²	83	109.5 Å²	109.5	39%	0.388	56%	0.564	S	S	.	*	H	α-helix	trans	-59.4	-40.2	172.3	-89.5	-165.6	60.2	0	0	112.1	F23 Q29 Q30 I31	F23-Q27 VanDerWaalsContact CZ-NE2 3.31Å; F23-Q27 PolarHBondContact O-N 3.24Å; Q27-Q29 VanDerWaalsContact C-N 3.33Å; Q27-Q29 PolarHBondContact O-N 2.99Å; Q27-Q30 PolarHBondContact O-N 2.96Å; Q27-I31 WeakPolarHBondContact O-CD1 3.41Å; Q27-I31 VanDerWaalsContact O-CG1 3.26Å; Q27-I31 WeakPolarHBondContact O-CG1 3.28Å; Q27-I31 PolarHBondContact O-N 3.41Å
28	K	58.4	Low	59.3	Low	161 Å²	161	111 Å²	111	70%	0.7	57%	0.567	S	S	*	*	H	α-helix	trans	-69.2	-31.8	-179.5	-159.4	175.2	-177.3	-177.9	0	112.4	Y24 A25 E26 I31	Y24-K28 WeakPolarHBondContact O-CB 3.43Å; Y24-K28 PolarHBondContact O-N 2.96Å; A25-K28 PolarHBondContact O-N 3.19Å; E26-K28 VanDerWaalsContact C-N 3.29Å; E26-K28 PolarHBondContact O-N 2.9Å; K28-I31 PolarHBondContact O-N 3.46Å
29	Q	53.9	Low	58	Low	145 Å²	145	111.7 Å²	111.7	68%	0.678	56%	0.56	S	S	*	*	H	α-helix	trans	-74.7	-32.3	174	-74.4	179.6	-2.4	0	0	112.7	A25 E26 Q27 I31 D32	A25-Q29 PolarHBondContact O-N 2.95Å; E26-Q29 PolarHBondContact O-N 3.25Å; Q27-Q29 VanDerWaalsContact C-N 3.33Å; Q27-Q29 PolarHBondContact O-N 2.99Å; Q29-I31 VanDerWaalsContact C-N 3.27Å; Q29-I31 PolarHBondContact O-N 2.75Å; Q29-D32 PolarHBondContact O-N 3.31Å
30	Q	48.2	Very low	56.8	Low	152 Å²	152	113 Å²	113	71%	0.71	56%	0.56	S	S	*	*	H	α-helix	trans	-65.3	-28.2	170.6	-89.1	177	-2.4	0	0	113.3	E26 Q27 D32	E26-Q30 PolarHBondContact O-N 2.86Å; Q27-Q30 PolarHBondContact O-N 2.96Å; Q30-D32 VanDerWaalsContact C-N 3.3Å; Q30-D32 PolarHBondContact O-N 2.76Å
31	I	48.3	Very low	55.7	Low	98 Å²	98	113 Å²	113	50%	0.503	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75	-17.7	179.2	-68	163.6	0	0	0	112.7	Q27 K28 Q29	Q27-I31 WeakPolarHBondContact O-CD1 3.41Å; Q27-I31 VanDerWaalsContact O-CG1 3.26Å; Q27-I31 WeakPolarHBondContact O-CG1 3.28Å; Q27-I31 PolarHBondContact O-N 3.41Å; K28-I31 PolarHBondContact O-N 3.46Å; Q29-I31 VanDerWaalsContact C-N 3.27Å; Q29-I31 PolarHBondContact O-N 2.75Å
32	D	45.6	Very low	54.6	Low	150 Å²	150	109.9 Å²	109.9	80%	0.802	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	2.5	-174.2	-136	13.5	0	0	0	113.5	Q29 Q30	Q29-D32 PolarHBondContact O-N 3.31Å; Q30-D32 VanDerWaalsContact C-N 3.3Å; Q30-D32 PolarHBondContact O-N 2.76Å
33	L	41.9	Very low	53.9	Low	121 Å²	121	108.7 Å²	108.7	63%	0.634	56%	0.558	S	S	*	*	S	Bend	trans	-97.8	84.1	176.7	-66.7	164.7	0	0	0	109.8
34	G	42.3	Very low	54.2	Low	53 Å²	53	103.7 Å²	103.7	55%	0.546	54%	0.537	S	S	.	.			trans	76.7	125.1	164.8	0	0	0	0	0	116.5	D36 D37	G34-D36 PolarHBondContact O-N 3.49Å; G34-D37 PolarHBondContact O-N 3.36Å
35	E	47.2	Very low	55.4	Low	182 Å²	182	104.2 Å²	104.2	85%	0.85	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-15.4	178.1	-74.1	-174.5	139.2	0	0	114.6
36	D	46.9	Very low	56.1	Low	133 Å²	133	103.3 Å²	103.3	71%	0.711	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-25.8	179.3	-103.9	-23.4	0	0	0	114.4	G34 K38	G34-D36 PolarHBondContact O-N 3.49Å; D36-K38 VanDerWaalsContact C-N 3.3Å; D36-K38 PolarHBondContact O-N 3.42Å
37	D	44.5	Very low	57.1	Low	106 Å²	106	100.3 Å²	100.3	57%	0.567	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-82.1	-9.6	-177.8	-93.4	-25.3	0	0	0	113.5	G34 Y39 N40	G34-D37 PolarHBondContact O-N 3.36Å; D37-Y39 PolarHBondContact O-N 3.14Å; D37-N40 PolarHBondContact OD1-ND2 3.24Å
38	K	47.1	Very low	58.4	Low	111 Å²	111	103.5 Å²	103.5	48%	0.483	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-72.4	3.3	-177.2	-143.6	174.7	-171.9	166.6	0	114.6	D36 I43 M110	D36-K38 VanDerWaalsContact C-N 3.3Å; D36-K38 PolarHBondContact O-N 3.42Å; K38-I43 WeakPolarHBondContact O-CD1 3.5Å; K38-M110 WeakPolarHBondContact O-CE 3.41Å
39	Y	50.9	Low	59.8	Low	65 Å²	65	103.9 Å²	103.9	26%	0.255	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-132.4	6.8	-170.9	-62.5	-70.1	0	0	0	113.9	D37 R90 M110 Y111	D37-Y39 PolarHBondContact O-N 3.14Å; Y39-R90 VanDerWaalsContact CD1-NH1 3.25Å; Y39-R90 VanDerWaalsContact CG-CZ 3.49Å; Y39-M110 HydrophobicContact CD1-CE 3.39Å; Y39-M110 HydrophobicContact CD1-CG 4.33Å; Y39-M110 HydrophobicContact CE1-CB 4.27Å; Y39-M110 HydrophobicContact CE1-CE 3.7Å; Y39-M110 HydrophobicContact CE1-CG 4.15Å; Y39-M110 WeakPolarHBondContact CE1-O 3.21Å; Y39-M110 HydrophobicContact CG-CE 4.42Å; Y39-M110 PolarHBondContact OH-O 3.39Å; Y39-M110 VanDerWaalsContact OH-O 3.12Å; Y39-Y111 AromaticContact CD1-CD1 3.42Å; Y39-Y111 HydrophobicContact CD1-CD1 3.42Å; Y39-Y111 VanDerWaalsContact CD1-CD1 3.42Å; Y39-Y111 AromaticContact CD1-CE1 3.4Å; Y39-Y111 HydrophobicContact CD1-CE1 3.4Å; Y39-Y111 VanDerWaalsContact CD1-CE1 3.4Å; Y39-Y111 AromaticContact CE1-CD1 3.77Å; Y39-Y111 HydrophobicContact CE1-CD1 3.77Å; Y39-Y111 HydrophobicContact CE1-CE1 4.2Å; Y39-Y111 HydrophobicContact CG-CD1 4.28Å; Y39-Y111 HydrophobicContact CG-CE1 4.09Å
40	N	48.8	Very low	61.5	Low	76 Å²	76	98.9 Å²	98.9	41%	0.406	51%	0.509	S	S	.	.	S	Bend	trans	-61.1	144.9	178	-97.8	-48.4	0	0	0	112.4	D37 G42	D37-N40 PolarHBondContact OD1-ND2 3.24Å; N40-G42 PolarHBondContact O-N 2.82Å
41	I	47	Very low	63.6	Low	71 Å²	71	93 Å²	93	36%	0.364	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	95.6	177.9	-59.7	175.6	0	0	0	109.2	Q87 E91	I41-Q87 HydrophobicContact CD1-CB 4.01Å; I41-Q87 HydrophobicContact CG1-CB 3.68Å; I41-Q87 HydrophobicContact CG1-CG 4.2Å; I41-E91 WeakPolarHBondContact CD1-OE1 3.47Å
42	G	53	Low	65.6	Low	62 Å²	62	88.8 Å²	88.8	64%	0.639	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	164.1	-19.1	-177.9	0	0	0	0	0	114.7	N40	N40-G42 PolarHBondContact O-N 2.82Å
43	I	65.8	Low	67.9	Low	100 Å²	100	84.4 Å²	84.4	51%	0.513	44%	0.437	S	S	.	.	S	Bend	trans	-76.8	-34.5	-178.6	-59.8	170.6	0	0	0	112	K38 M110	K38-I43 WeakPolarHBondContact O-CD1 3.5Å; I43-M110 HydrophobicContact CB-CE 4.49Å; I43-M110 HydrophobicContact CD1-CE 3.67Å; I43-M110 HydrophobicContact CG2-CE 4.19Å; I43-M110 HydrophobicContact CG2-SD 4.21Å
44	I	82.8	Confident	70.4	Confident	10 Å²	10	80.4 Å²	80.4	5%	0.051	41%	0.414	C	S	.	.	S	Bend	trans	-111	106.5	-177.6	-58.7	174.2	0	0	0	109	W54 R107 F108 M110	I44-W54 PolarHBondContact O-NE1 2.91Å; I44-R107 HydrophobicContact CD1-CB 3.88Å; I44-R107 HydrophobicContact CG1-CB 4.15Å; I44-R107 HydrophobicContact CG2-CB 4.3Å; I44-F108 HydrophobicContact CB-CE1 4.36Å; I44-F108 HydrophobicContact CB-CZ 4.48Å; I44-F108 HydrophobicContact CD1-CD1 3.32Å; I44-F108 HydrophobicContact CD1-CD2 4.48Å; I44-F108 HydrophobicContact CD1-CE1 3.55Å; I44-F108 HydrophobicContact CD1-CG 3.87Å; I44-F108 HydrophobicContact CD1-CZ 4.2Å; I44-F108 HydrophobicContact CG2-CE1 4.33Å; I44-F108 HydrophobicContact CG2-CE2 4.34Å; I44-F108 HydrophobicContact CG2-CZ 4.01Å; I44-M110 HydrophobicContact CD1-SD 3.86Å; I44-M110 HydrophobicContact CG1-SD 4.31Å
45	E	87.4	Confident	72.9	Confident	151 Å²	151	78.3 Å²	78.3	71%	0.706	39%	0.389	S	S	*	.			trans	-73.1	151.6	173.5	-62.6	-172.9	162.9	0	0	111.9	N47 R107	E45-N47 PolarHBondContact O-N 2.99Å; E45-R107 PolarHBondContact O-NH1 3.12Å; E45-R107 PolarHBondContact O-NH2 3.03Å
46	E	89.1	Confident	75.2	Confident	29 Å²	29	70.7 Å²	70.7	14%	0.136	36%	0.356	C	S	.	.			trans	-53.2	126.4	174.2	-66.9	179.7	167.2	0	0	111.2	W48 W54 R194	E46-W48 PolarHBondContact OE2-NE1 3.25Å; E46-W54 HydrophobicContact CG-CD2 3.78Å; E46-W54 HydrophobicContact CG-CG 3.68Å; E46-W54 HydrophobicContact CG-CZ2 4.32Å; E46-W54 VanDerWaalsContact CG-NE1 3.33Å; E46-W54 PolarHBondContact OE1-N 2.85Å; E46-R194 VanDerWaalsContact OE2-CD 3.23Å; E46-R194 WeakPolarHBondContact OE2-CD 3.37Å; E46-R194 IonicContact OE2-CZ 3.17Å; E46-R194 IonicContact OE2-NE 2.57Å; E46-R194 PolarHBondContact OE2-NE 3.42Å; E46-R194 IonicContact OE2-NH1 3.03Å; E46-R194 PolarHBondContact OE2-NH1 3.12Å; E46-R194 IonicContact OE2-NH2 3.5Å
47	N	90.4	Very high	77.5	Confident	48 Å²	48	71.4 Å²	71.4	26%	0.257	36%	0.355	S	S	.	.			trans	-102	104.3	166.1	-172.7	-12.8	0	0	0	110.3	E45 Q49 L50 S51 Q52	E45-N47 PolarHBondContact O-N 2.99Å; N47-Q49 PolarHBondContact O-N 2.82Å; N47-Q49 WeakPolarHBondContact OD1-CB 3.35Å; N47-Q49 PolarHBondContact OD1-N 2.74Å; N47-L50 HydrophobicContact CB-CB 4.31Å; N47-L50 HydrophobicContact CB-CD1 4.07Å; N47-L50 HydrophobicContact CB-CG 4.11Å; N47-L50 WeakPolarHBondContact O-CA 3.22Å; N47-L50 WeakPolarHBondContact O-CB 3.38Å; N47-L50 PolarHBondContact O-N 3.37Å; N47-S51 PolarHBondContact O-N 2.93Å; N47-Q52 VanDerWaalsContact CB-OE1 3.24Å; N47-Q52 PolarHBondContact O-N 2.96Å
48	W	86.6	Confident	79.9	Confident	149 Å²	149	72.4 Å²	72.4	56%	0.564	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-65.8	-22.9	-178.1	-74	30.5	0	0	0	113.2	E46 L50 S51 F53 R194	E46-W48 PolarHBondContact OE2-NE1 3.25Å; W48-L50 PolarHBondContact O-N 2.88Å; W48-S51 PolarHBondContact O-N 3.03Å; W48-S51 VanDerWaalsContact O-N 3.16Å; W48-F53 HydrophobicContact CD2-CE1 4.41Å; W48-R194 VanDerWaalsContact CE2-NH1 3.31Å
49	Q	89.1	Confident	82.3	Confident	169 Å²	169	67.3 Å²	67.3	79%	0.79	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-69.5	-23.4	173.5	-60.3	-176.8	-17.2	0	0	112.2	N47	N47-Q49 PolarHBondContact O-N 2.82Å; N47-Q49 WeakPolarHBondContact OD1-CB 3.35Å; N47-Q49 PolarHBondContact OD1-N 2.74Å
50	L	89.6	Confident	84.5	Confident	40 Å²	40	64.3 Å²	64.3	21%	0.209	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-95.9	8	174.9	-57	-178	0	0	0	112.2	N47 W48 Q52 Y104 D105	N47-L50 HydrophobicContact CB-CB 4.31Å; N47-L50 HydrophobicContact CB-CD1 4.07Å; N47-L50 HydrophobicContact CB-CG 4.11Å; N47-L50 WeakPolarHBondContact O-CA 3.22Å; N47-L50 WeakPolarHBondContact O-CB 3.38Å; N47-L50 PolarHBondContact O-N 3.37Å; W48-L50 PolarHBondContact O-N 2.88Å; L50-Q52 HydrophobicContact CB-CG 4.04Å; L50-Q52 PolarHBondContact O-N 3.08Å; L50-Y104 HydrophobicContact CD1-CD1 4.34Å; L50-Y104 HydrophobicContact CD2-CD1 3.7Å; L50-Y104 HydrophobicContact CD2-CE1 3.77Å; L50-D105 HydrophobicContact CD1-CB 3.8Å
51	S	91.2	Very high	86.8	Confident	29 Å²	29	63.5 Å²	63.5	20%	0.203	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	36.9	-173.6	-59.3	0	0	0	0	113.9	N47 W48 F53 P143 Y144	N47-S51 PolarHBondContact O-N 2.93Å; W48-S51 PolarHBondContact O-N 3.03Å; W48-S51 VanDerWaalsContact O-N 3.16Å; S51-F53 VanDerWaalsContact O-CD2 3.29Å; S51-F53 WeakPolarHBondContact O-CD2 3.42Å; S51-P143 WeakPolarHBondContact CB-O 3.47Å; S51-P143 PolarHBondContact OG-O 3.14Å; S51-Y144 WeakPolarHBondContact OG-CD1 3.47Å; S51-Y144 WeakPolarHBondContact OG-CE1 3.38Å
52	Q	91.3	Very high	89.2	Confident	9 Å²	9	63.2 Å²	63.2	4%	0.042	31%	0.313	C	S	.	.			trans	-81.8	118.6	176.7	-73.8	175.8	-21.2	0	0	110.9	N47 L50 W54 D105	N47-Q52 VanDerWaalsContact CB-OE1 3.24Å; N47-Q52 PolarHBondContact O-N 2.96Å; L50-Q52 HydrophobicContact CB-CG 4.04Å; L50-Q52 PolarHBondContact O-N 3.08Å; Q52-W54 HydrophobicContact CB-CE3 4.42Å; Q52-W54 HydrophobicContact CB-CH2 3.56Å; Q52-W54 HydrophobicContact CB-CZ2 4.18Å; Q52-W54 HydrophobicContact CB-CZ3 3.67Å; Q52-W54 VanDerWaalsContact CD-CH2 3.46Å; Q52-W54 HydrophobicContact CG-CH2 3.62Å; Q52-W54 HydrophobicContact CG-CZ3 3.89Å; Q52-D105 VanDerWaalsContact NE2-CB 3.3Å; Q52-D105 PolarHBondContact NE2-OD2 3.45Å; Q52-D105 VanDerWaalsContact NE2-OD2 3.14Å
53	F	92.6	Very high	91.3	Very high	58 Å²	58	60.2 Å²	60.2	25%	0.254	28%	0.283	S	S	.	.			trans	-130.6	121	174	-55.2	-74.6	0	0	0	109.1	W48 S51 L196	W48-F53 HydrophobicContact CD2-CE1 4.41Å; S51-F53 VanDerWaalsContact O-CD2 3.29Å; S51-F53 WeakPolarHBondContact O-CD2 3.42Å; F53-L196 HydrophobicContact CB-CD1 3.86Å; F53-L196 HydrophobicContact CB-CD2 4.27Å; F53-L196 HydrophobicContact CD1-CD1 4.38Å; F53-L196 HydrophobicContact CD1-CD2 3.41Å; F53-L196 VanDerWaalsContact CD1-CD2 3.41Å; F53-L196 HydrophobicContact CD2-CD1 4.26Å; F53-L196 HydrophobicContact CE1-CD2 3.8Å; F53-L196 HydrophobicContact CG-CD1 3.9Å; F53-L196 HydrophobicContact CG-CD2 3.81Å
54	W	94.4	Very high	92.8	Very high	37 Å²	37	55.5 Å²	55.5	14%	0.14	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-82.6	135.4	-174	-58.2	155.9	0	0	0	112.1	I44 E46 Q52 P83 S84 F108 H192 T193	I44-W54 PolarHBondContact O-NE1 2.91Å; E46-W54 HydrophobicContact CG-CD2 3.78Å; E46-W54 HydrophobicContact CG-CG 3.68Å; E46-W54 HydrophobicContact CG-CZ2 4.32Å; E46-W54 VanDerWaalsContact CG-NE1 3.33Å; E46-W54 PolarHBondContact OE1-N 2.85Å; Q52-W54 HydrophobicContact CB-CE3 4.42Å; Q52-W54 HydrophobicContact CB-CH2 3.56Å; Q52-W54 HydrophobicContact CB-CZ2 4.18Å; Q52-W54 HydrophobicContact CB-CZ3 3.67Å; Q52-W54 VanDerWaalsContact CD-CH2 3.46Å; Q52-W54 HydrophobicContact CG-CH2 3.62Å; Q52-W54 HydrophobicContact CG-CZ3 3.89Å; W54-P83 HydrophobicContact CE3-CG 3.95Å; W54-P83 HydrophobicContact CH2-CG 3.7Å; W54-P83 HydrophobicContact CZ3-CB 4.39Å; W54-P83 HydrophobicContact CZ3-CG 3.2Å; W54-S84 WeakPolarHBondContact CA-OG 3.2Å; W54-F108 HydrophobicContact CH2-CE2 4.49Å; W54-F108 HydrophobicContact CH2-CZ 4.06Å; W54-F108 HydrophobicContact CZ2-CZ 4.49Å; W54-H192 CarbonylContact O-C 3.54Å; W54-H192 VanDerWaalsContact O-CA 3.31Å; W54-H192 WeakPolarHBondContact O-CA 2.87Å; W54-H192 WeakPolarHBondContact O-CB 3.38Å; W54-T193 PolarHBondContact O-N 3.33Å; W54-T193 PolarHBondContact O-OG1 2.85Å
55	Y	96.1	Very high	93.4	Very high	9 Å²	9	59.4 Å²	59.4	4%	0.035	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-59.4	151.3	168.7	-73.8	-54.4	0	0	0	111.2	T59 L63 S84 V85 D141 C168 P190 K191 H192 T193	Y55-T59 HydrophobicContact CD1-CG2 3.46Å; Y55-T59 VanDerWaalsContact CD1-CG2 3.46Å; Y55-T59 HydrophobicContact CE1-CG2 4.14Å; Y55-T59 HydrophobicContact CG-CG2 3.78Å; Y55-L63 HydrophobicContact CD2-CD1 4.23Å; Y55-L63 HydrophobicContact CE2-CD1 4.14Å; Y55-S84 PolarHBondContact N-OG 2.8Å; Y55-V85 HydrophobicContact CD2-CG2 4.12Å; Y55-V85 HydrophobicContact CE2-CG2 4.33Å; Y55-D141 VanDerWaalsContact CE2-OD2 3.28Å; Y55-D141 WeakPolarHBondContact CE2-OD2 3.3Å; Y55-D141 PolarHBondContact OH-OD1 3.37Å; Y55-D141 PolarHBondContact OH-OD2 2.91Å; Y55-C168 WeakPolarHBondContact OH-CB 3.49Å; Y55-P190 HydrophobicContact CD1-CB 4.28Å; Y55-P190 HydrophobicContact CE1-CB 3.84Å; Y55-K191 WeakPolarHBondContact CA-O 3.3Å; Y55-H192 AromaticContact CD1-CD2 3.92Å; Y55-H192 AromaticContact CD1-NE2 3.74Å; Y55-H192 AromaticContact CE1-CE1 3.65Å; Y55-H192 AromaticContact CE1-NE2 3.34Å; Y55-H192 VanDerWaalsContact CE1-NE2 3.34Å; Y55-H192 WeakPolarHBondContact CE1-NE2 3.4Å; Y55-T193 PolarHBondContact O-OG1 2.95Å; Y55-T193 VanDerWaalsContact O-OG1 3.14Å
56	S	95.4	Very high	93.9	Very high	22 Å²	22	52.7 Å²	52.7	15%	0.154	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-61.4	155.1	166.1	71.8	0	0	0	0	109.7	E58 T59 A60 K191	S56-E58 PolarHBondContact O-N 3.38Å; S56-T59 PolarHBondContact O-N 3.1Å; S56-T59 WeakPolarHBondContact OG-CB 3.35Å; S56-T59 PolarHBondContact OG-N 3.3Å; S56-T59 PolarHBondContact OG-OG1 2.9Å; S56-A60 PolarHBondContact O-N 2.67Å; S56-K191 PolarHBondContact N-O 3.06Å; S56-K191 PolarHBondContact OG-O 3.24Å
57	Q	94.3	Very high	94.3	Very high	149 Å²	149	51.3 Å²	51.3	70%	0.696	24%	0.239	S	C	*	.	H	α-helix	trans	-55.3	-41	178	-69.5	-174.5	-8.2	0	0	112.3	L61	Q57-L61 VanDerWaalsContact O-CB 3.23Å; Q57-L61 WeakPolarHBondContact O-CB 3.32Å; Q57-L61 PolarHBondContact O-N 2.92Å
58	E	95.6	Very high	94.5	Very high	127 Å²	127	51.3 Å²	51.3	59%	0.593	24%	0.238	S	C	*	.	H	α-helix	trans	-61.2	-45.5	176.2	-175.7	-174.7	-174.9	0	0	111.9	S56 L61 R62	S56-E58 PolarHBondContact O-N 3.38Å; E58-L61 PolarHBondContact O-N 3.48Å; E58-R62 WeakPolarHBondContact O-CB 3.46Å; E58-R62 PolarHBondContact O-N 3.46Å
59	T	97.2	Very high	94.9	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-49.4	179.2	-58.3	0	0	0	0	110.9	Y55 S56 L61 R62 L63 F188 P190 K191	Y55-T59 HydrophobicContact CD1-CG2 3.46Å; Y55-T59 VanDerWaalsContact CD1-CG2 3.46Å; Y55-T59 HydrophobicContact CE1-CG2 4.14Å; Y55-T59 HydrophobicContact CG-CG2 3.78Å; S56-T59 PolarHBondContact O-N 3.1Å; S56-T59 WeakPolarHBondContact OG-CB 3.35Å; S56-T59 PolarHBondContact OG-N 3.3Å; S56-T59 PolarHBondContact OG-OG1 2.9Å; T59-L61 VanDerWaalsContact C-N 3.27Å; T59-L61 PolarHBondContact O-N 3.4Å; T59-R62 PolarHBondContact O-N 3.14Å; T59-L63 HydrophobicContact CG2-CD1 3.93Å; T59-L63 HydrophobicContact CG2-CG 4.31Å; T59-L63 WeakPolarHBondContact O-CB 3.22Å; T59-L63 VanDerWaalsContact O-CG 3.28Å; T59-L63 WeakPolarHBondContact O-CG 3.49Å; T59-L63 PolarHBondContact O-N 3.47Å; T59-F188 HydrophobicContact CG2-CE1 4.1Å; T59-F188 HydrophobicContact CG2-CZ 4.11Å; T59-P190 HydrophobicContact CG2-CB 3.59Å; T59-K191 WeakPolarHBondContact CB-O 3.36Å; T59-K191 PolarHBondContact OG1-N 3.06Å; T59-K191 PolarHBondContact OG1-O 3.33Å; T59-K191 VanDerWaalsContact OG1-O 3.07Å
60	A	97.3	Very high	95.2	Very high	2 Å²	2	40.3 Å²	40.3	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-58.2	-41.3	177.9	0	0	0	0	0	111.7	S56 A64 K88	S56-A60 PolarHBondContact O-N 2.67Å; A60-A64 VanDerWaalsContact O-CB 3.25Å; A60-A64 WeakPolarHBondContact O-CB 3.47Å; A60-A64 PolarHBondContact O-N 3.4Å; A60-K88 HydrophobicContact CB-CB 4.17Å; A60-K88 HydrophobicContact CB-CG 4.48Å
61	L	96.4	Very high	95.4	Very high	60 Å²	60	39.3 Å²	39.3	31%	0.314	20%	0.203	S	C	.	.	H	α-helix	trans	-62.9	-48.9	176.1	177.7	60	0	0	0	111.8	Q57 E58 T59 L63 A64 Q65 K88 L92	Q57-L61 VanDerWaalsContact O-CB 3.23Å; Q57-L61 WeakPolarHBondContact O-CB 3.32Å; Q57-L61 PolarHBondContact O-N 2.92Å; E58-L61 PolarHBondContact O-N 3.48Å; T59-L61 VanDerWaalsContact C-N 3.27Å; T59-L61 PolarHBondContact O-N 3.4Å; L61-L63 VanDerWaalsContact C-N 3.33Å; L61-L63 PolarHBondContact O-N 2.91Å; L61-A64 PolarHBondContact O-N 3.23Å; L61-Q65 HydrophobicContact CD1-CG 4.11Å; L61-Q65 WeakPolarHBondContact O-CB 3.49Å; L61-Q65 VanDerWaalsContact O-CG 3.31Å; L61-Q65 WeakPolarHBondContact O-CG 3.34Å; L61-Q65 PolarHBondContact O-N 3.14Å; L61-K88 HydrophobicContact CB-CD 4.36Å; L61-K88 HydrophobicContact CB-CG 4.22Å; L61-K88 HydrophobicContact CD1-CD 4.25Å; L61-K88 HydrophobicContact CD1-CG 4.29Å; L61-L92 HydrophobicContact CD1-CD1 3.79Å; L61-L92 HydrophobicContact CD1-CD2 3.96Å; L61-L92 HydrophobicContact CD1-CG 4.39Å
62	R	97.6	Very high	95.2	Very high	64 Å²	64	39.8 Å²	39.8	24%	0.242	21%	0.213	C	C	.	.	H	α-helix	trans	-63.6	-40.2	-178.3	-175.9	62.1	-172.2	89.8	-4.7	112.3	E58 T59 E66 F188 G209 L210	E58-R62 WeakPolarHBondContact O-CB 3.46Å; E58-R62 PolarHBondContact O-N 3.46Å; T59-R62 PolarHBondContact O-N 3.14Å; R62-E66 IonicContact CZ-OE2 2.6Å; R62-E66 IonicContact NH1-OE2 2.96Å; R62-E66 PolarHBondContact NH1-OE2 2.98Å; R62-E66 IonicContact NH2-OE2 3.01Å; R62-E66 PolarHBondContact NH2-OE2 2.6Å; R62-E66 WeakPolarHBondContact O-CB 3.29Å; R62-E66 PolarHBondContact O-N 2.89Å; R62-F188 HydrophobicContact CB-CE2 4.08Å; R62-F188 HydrophobicContact CB-CZ 4.02Å; R62-F188 HydrophobicContact CG-CD2 4.09Å; R62-F188 HydrophobicContact CG-CE2 3.74Å; R62-F188 HydrophobicContact CG-CZ 4.02Å; R62-G209 PolarHBondContact NH2-O 3.33Å; R62-L210 HydrophobicContact CG-CD2 3.87Å
63	L	97.9	Very high	95.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68.8	-40.9	177	-65.8	179.8	0	0	0	112.1	Y55 T59 L61 E66 A67 V85 L166 F188 L210	Y55-L63 HydrophobicContact CD2-CD1 4.23Å; Y55-L63 HydrophobicContact CE2-CD1 4.14Å; T59-L63 HydrophobicContact CG2-CD1 3.93Å; T59-L63 HydrophobicContact CG2-CG 4.31Å; T59-L63 WeakPolarHBondContact O-CB 3.22Å; T59-L63 VanDerWaalsContact O-CG 3.28Å; T59-L63 WeakPolarHBondContact O-CG 3.49Å; T59-L63 PolarHBondContact O-N 3.47Å; L61-L63 VanDerWaalsContact C-N 3.33Å; L61-L63 PolarHBondContact O-N 2.91Å; L63-E66 WeakPolarHBondContact O-CB 3.38Å; L63-E66 PolarHBondContact O-N 3.22Å; L63-A67 PolarHBondContact O-N 2.65Å; L63-V85 HydrophobicContact CB-CG1 4.22Å; L63-V85 HydrophobicContact CB-CG2 3.94Å; L63-V85 HydrophobicContact CD1-CG2 3.82Å; L63-L166 HydrophobicContact CD2-CD1 4.27Å; L63-L166 HydrophobicContact CD2-CD2 3.99Å; L63-F188 HydrophobicContact CD2-CD1 4.4Å; L63-F188 HydrophobicContact CD2-CE1 4.07Å; L63-F188 HydrophobicContact CG-CE1 4.41Å; L63-L210 HydrophobicContact CD2-CD1 4.29Å; L63-L210 HydrophobicContact CD2-CD2 4.48Å
64	A	97	Very high	94.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.5	-45.6	175.6	0	0	0	0	0	111.6	A60 L61 E66 A67 I68 V85 K88 L89 L92	A60-A64 VanDerWaalsContact O-CB 3.25Å; A60-A64 WeakPolarHBondContact O-CB 3.47Å; A60-A64 PolarHBondContact O-N 3.4Å; L61-A64 PolarHBondContact O-N 3.23Å; A64-E66 VanDerWaalsContact C-N 3.31Å; A64-E66 PolarHBondContact O-N 2.78Å; A64-A67 PolarHBondContact O-N 2.88Å; A64-I68 VanDerWaalsContact O-CG1 3.29Å; A64-I68 WeakPolarHBondContact O-CG1 3.3Å; A64-I68 PolarHBondContact O-N 2.95Å; A64-V85 HydrophobicContact CB-CG1 4.32Å; A64-K88 HydrophobicContact CB-CB 4Å; A64-K88 HydrophobicContact CB-CG 3.94Å; A64-L89 HydrophobicContact CB-CD2 3.78Å; A64-L89 HydrophobicContact CB-CG 3.82Å; A64-L92 HydrophobicContact CB-CD1 3.83Å
65	Q	95.8	Very high	94.9	Very high	93 Å²	93	46.6 Å²	46.6	44%	0.435	26%	0.264	S	S	.	.	H	α-helix	trans	-60.3	-41	175.3	-74	174	-24.7	0	0	112.2	L61 A67 I68 A69 L92	L61-Q65 HydrophobicContact CD1-CG 4.11Å; L61-Q65 WeakPolarHBondContact O-CB 3.49Å; L61-Q65 VanDerWaalsContact O-CG 3.31Å; L61-Q65 WeakPolarHBondContact O-CG 3.34Å; L61-Q65 PolarHBondContact O-N 3.14Å; Q65-A67 VanDerWaalsContact C-N 3.34Å; Q65-A67 PolarHBondContact O-N 2.93Å; Q65-I68 PolarHBondContact O-N 3.03Å; Q65-A69 WeakPolarHBondContact O-CB 3.29Å; Q65-A69 PolarHBondContact O-N 3.1Å; Q65-L92 HydrophobicContact CG-CD1 4.37Å
66	E	97.1	Very high	95	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-45.9	175.2	-173	61.5	-148.5	0	0	111.3	R62 L63 A64 A69 A70 L166 Y206 S208 G209 L210	R62-E66 IonicContact CZ-OE2 2.6Å; R62-E66 IonicContact NH1-OE2 2.96Å; R62-E66 PolarHBondContact NH1-OE2 2.98Å; R62-E66 IonicContact NH2-OE2 3.01Å; R62-E66 PolarHBondContact NH2-OE2 2.6Å; R62-E66 WeakPolarHBondContact O-CB 3.29Å; R62-E66 PolarHBondContact O-N 2.89Å; L63-E66 WeakPolarHBondContact O-CB 3.38Å; L63-E66 PolarHBondContact O-N 3.22Å; A64-E66 VanDerWaalsContact C-N 3.31Å; A64-E66 PolarHBondContact O-N 2.78Å; E66-A69 PolarHBondContact O-N 3.39Å; E66-A70 VanDerWaalsContact O-CB 3.29Å; E66-A70 WeakPolarHBondContact O-CB 3.45Å; E66-A70 PolarHBondContact O-N 2.99Å; E66-L166 HydrophobicContact CB-CD1 4.22Å; E66-L166 HydrophobicContact CG-CD1 3.95Å; E66-Y206 WeakPolarHBondContact CG-OH 3.44Å; E66-S208 WeakPolarHBondContact OE1-CA 3.43Å; E66-S208 PolarHBondContact OE1-OG 2.88Å; E66-S208 VanDerWaalsContact OE1-OG 3.1Å; E66-G209 PolarHBondContact OE1-N 2.68Å; E66-G209 WeakPolarHBondContact OE2-CA 3.44Å; E66-G209 PolarHBondContact OE2-N 3.3Å; E66-L210 HydrophobicContact CB-CD2 4.22Å; E66-L210 HydrophobicContact CB-CG 4.26Å; E66-L210 HydrophobicContact CG-CD1 3.98Å; E66-L210 HydrophobicContact CG-CD2 4.27Å; E66-L210 HydrophobicContact CG-CG 3.77Å; E66-L210 PolarHBondContact OE2-N 3.48Å
67	A	96.8	Very high	95.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.3	-40.6	179.8	0	0	0	0	0	112.8	L63 A64 Q65 A70 V71 I77 I137 I139	L63-A67 PolarHBondContact O-N 2.65Å; A64-A67 PolarHBondContact O-N 2.88Å; Q65-A67 VanDerWaalsContact C-N 3.34Å; Q65-A67 PolarHBondContact O-N 2.93Å; A67-A70 PolarHBondContact O-N 2.93Å; A67-V71 WeakPolarHBondContact O-CB 3.22Å; A67-V71 PolarHBondContact O-N 2.9Å; A67-I77 HydrophobicContact CB-CD1 4.16Å; A67-I137 HydrophobicContact CB-CD1 4.47Å; A67-I137 HydrophobicContact CB-CG2 4.46Å; A67-I139 HydrophobicContact CB-CD1 3.3Å; A67-I139 HydrophobicContact CB-CG1 4.07Å
68	I	95.6	Very high	95.3	Very high	47 Å²	47	40.5 Å²	40.5	24%	0.241	23%	0.232	C	C	.	.	H	α-helix	trans	-61.4	-47.1	174.9	-67	166.3	0	0	0	110.3	A64 Q65 A70 V71 G72 L89 L92 F97	A64-I68 VanDerWaalsContact O-CG1 3.29Å; A64-I68 WeakPolarHBondContact O-CG1 3.3Å; A64-I68 PolarHBondContact O-N 2.95Å; Q65-I68 PolarHBondContact O-N 3.03Å; I68-A70 VanDerWaalsContact C-N 3.3Å; I68-A70 PolarHBondContact O-N 2.59Å; I68-V71 PolarHBondContact O-N 2.65Å; I68-G72 PolarHBondContact O-N 3.48Å; I68-G72 VanDerWaalsContact O-N 3.1Å; I68-L89 HydrophobicContact CD1-CD2 3.89Å; I68-L89 HydrophobicContact CG1-CD2 3.64Å; I68-L92 HydrophobicContact CD1-CB 3.98Å; I68-L92 HydrophobicContact CD1-CD1 4.07Å; I68-F97 HydrophobicContact CD1-CE1 3.67Å; I68-F97 HydrophobicContact CD1-CZ 3.94Å; I68-F97 HydrophobicContact CG1-CD1 4.04Å; I68-F97 HydrophobicContact CG1-CE1 3.59Å; I68-F97 HydrophobicContact CG1-CZ 3.98Å; I68-F97 HydrophobicContact CG2-CD1 4.48Å; I68-F97 HydrophobicContact CG2-CE1 4.46Å
69	A	94.6	Very high	95.4	Very high	78 Å²	78	34.5 Å²	34.5	65%	0.645	20%	0.203	S	C	*	.	H	α-helix	trans	-62.3	-39.4	177.4	0	0	0	0	0	111.9	Q65 E66	Q65-A69 WeakPolarHBondContact O-CB 3.29Å; Q65-A69 PolarHBondContact O-N 3.1Å; E66-A69 PolarHBondContact O-N 3.39Å
70	A	94.9	Very high	95.5	Very high	10 Å²	10	34.3 Å²	34.3	8%	0.083	20%	0.203	C	C	.	.	H	α-helix	trans	-70.4	-32.3	178.8	0	0	0	0	0	113	E66 A67 I68 I137 K164 Y206	E66-A70 VanDerWaalsContact O-CB 3.29Å; E66-A70 WeakPolarHBondContact O-CB 3.45Å; E66-A70 PolarHBondContact O-N 2.99Å; A67-A70 PolarHBondContact O-N 2.93Å; I68-A70 VanDerWaalsContact C-N 3.3Å; I68-A70 PolarHBondContact O-N 2.59Å; A70-I137 HydrophobicContact CB-CD1 3.63Å; A70-K164 HydrophobicContact CB-CD 4.14Å; A70-K164 PolarHBondContact O-NZ 3.32Å; A70-Y206 HydrophobicContact CB-CE2 3.92Å
71	V	93.7	Very high	95.6	Very high	18 Å²	18	35 Å²	35	11%	0.109	21%	0.207	C	C	.	.	H	α-helix	trans	-84.2	-32.2	-175.9	93	0	0	0	0	112.9	A67 I68 G75 I77 F97 D136 I137	A67-V71 WeakPolarHBondContact O-CB 3.22Å; A67-V71 PolarHBondContact O-N 2.9Å; I68-V71 PolarHBondContact O-N 2.65Å; V71-G75 VanDerWaalsContact CG2-CA 3.47Å; V71-I77 HydrophobicContact CB-CD1 4.47Å; V71-I77 HydrophobicContact CB-CG1 4.1Å; V71-I77 HydrophobicContact CG1-CD1 4.1Å; V71-I77 HydrophobicContact CG1-CG1 4.11Å; V71-I77 HydrophobicContact CG2-CG1 3.91Å; V71-F97 HydrophobicContact CG1-CB 4.07Å; V71-D136 HydrophobicContact CG2-CB 3.54Å; V71-I137 HydrophobicContact CB-CG2 4.2Å; V71-I137 HydrophobicContact CG2-CG2 4.05Å
72	G	88.1	Confident	95.6	Very high	39 Å²	39	32.2 Å²	32.2	40%	0.402	19%	0.193	S	C	.	.			trans	71.2	-173.5	-174.5	0	0	0	0	0	113.5	I68	I68-G72 PolarHBondContact O-N 3.48Å; I68-G72 VanDerWaalsContact O-N 3.1Å
73	E	88.4	Confident	95.5	Very high	182 Å²	182	29.4 Å²	29.4	85%	0.85	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	132.8	179.6	-70.1	-178.6	179.7	0	0	112.2	G75	E73-G75 VanDerWaalsContact C-N 3.26Å; E73-G75 PolarHBondContact O-N 3.29Å
74	G	89.2	Confident	95.4	Very high	61 Å²	61	29.7 Å²	29.7	63%	0.629	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	8.6	178.4	0	0	0	0	0	114.8	N96	G74-N96 WeakPolarHBondContact CA-O 3.32Å; G74-N96 PolarHBondContact N-O 3.3Å
75	G	94.1	Very high	95.4	Very high	4 Å²	4	29.7 Å²	29.7	4%	0.041	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	164.2	-174.1	0	0	0	0	0	115	V71 E73 F97 T98	V71-G75 VanDerWaalsContact CG2-CA 3.47Å; E73-G75 VanDerWaalsContact C-N 3.26Å; E73-G75 PolarHBondContact O-N 3.29Å; G75-F97 CarbonylContact O-C 3.49Å; G75-F97 VanDerWaalsContact O-CA 3.3Å; G75-F97 WeakPolarHBondContact O-CA 3.13Å; G75-F97 WeakPolarHBondContact O-CB 3.44Å; G75-T98 PolarHBondContact O-N 2.81Å
76	R	97.1	Very high	95.5	Very high	53 Å²	53	25.3 Å²	25.3	20%	0.2	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	125	177.4	-52.5	-167.8	58.4	-141.2	8.3	111.9	T98 S134 F135 D136 I137	R76-T98 WeakPolarHBondContact CA-O 3.43Å; R76-T98 VanDerWaalsContact CG-OG1 3.3Å; R76-T98 WeakPolarHBondContact CG-OG1 3.31Å; R76-S134 WeakPolarHBondContact CD-O 3.25Å; R76-S134 PolarHBondContact NH1-O 2.93Å; R76-S134 PolarHBondContact NH1-OG 3.41Å; R76-F135 HydrophobicContact CB-CD1 3.96Å; R76-D136 PolarHBondContact N-OD2 2.96Å; R76-D136 PolarHBondContact O-N 2.8Å; R76-I137 PolarHBondContact O-N 2.91Å
77	I	98.3	Very high	95.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.9	179.8	-55.2	174.3	0	0	0	109.7	A67 V71 L89 F97 T98 V99 Y100 F135 I137 I139	A67-I77 HydrophobicContact CB-CD1 4.16Å; V71-I77 HydrophobicContact CB-CD1 4.47Å; V71-I77 HydrophobicContact CB-CG1 4.1Å; V71-I77 HydrophobicContact CG1-CD1 4.1Å; V71-I77 HydrophobicContact CG1-CG1 4.11Å; V71-I77 HydrophobicContact CG2-CG1 3.91Å; I77-L89 HydrophobicContact CD1-CD1 4.16Å; I77-L89 HydrophobicContact CD1-CD2 3.81Å; I77-L89 HydrophobicContact CG2-CD1 3.82Å; I77-F97 HydrophobicContact CD1-CD2 3.83Å; I77-F97 HydrophobicContact CD1-CE2 4.29Å; I77-F97 HydrophobicContact CD1-CG 4.16Å; I77-T98 PolarHBondContact N-O 3.25Å; I77-V99 HydrophobicContact CB-CB 4.46Å; I77-V99 HydrophobicContact CB-CG2 4.21Å; I77-V99 HydrophobicContact CG2-CG2 4.28Å; I77-V99 WeakPolarHBondContact O-CA 3.2Å; I77-Y100 PolarHBondContact O-N 3.05Å; I77-F135 VanDerWaalsContact C-CD1 3.47Å; I77-I137 HydrophobicContact CB-CG2 4.24Å; I77-I137 HydrophobicContact CG1-CG2 3.81Å; I77-I137 HydrophobicContact CG2-CG2 4.1Å; I77-I139 HydrophobicContact CG2-CD1 3.9Å; I77-I139 HydrophobicContact CG2-CG1 4.36Å
78	A	98.6	Very high	95.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.3	166.7	0	0	0	0	0	109.7	F102 F135 I137 V138 I139 L160	A78-F102 HydrophobicContact CB-CD2 4.16Å; A78-F102 HydrophobicContact CB-CE2 3.7Å; A78-F135 HydrophobicContact CB-CB 4.17Å; A78-F135 HydrophobicContact CB-CD1 3.53Å; A78-F135 HydrophobicContact CB-CD2 4.1Å; A78-F135 HydrophobicContact CB-CE1 3.81Å; A78-F135 HydrophobicContact CB-CE2 4.39Å; A78-F135 HydrophobicContact CB-CG 3.66Å; A78-F135 HydrophobicContact CB-CZ 4.24Å; A78-I137 PolarHBondContact N-O 3.16Å; A78-V138 HydrophobicContact CB-CG1 4.41Å; A78-V138 HydrophobicContact CB-CG2 4.21Å; A78-I139 PolarHBondContact O-N 3.17Å; A78-L160 HydrophobicContact CB-CD1 4.26Å
79	C	98.6	Very high	95.2	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	113.7	167.2	-63.4	0	0	0	0	108.2	A82 Y100 I101 F102 I139	C79-A82 HydrophobicContact CB-CB 4.33Å; C79-Y100 PolarHBondContact N-O 3Å; C79-I101 HydrophobicContact CB-CD1 3.76Å; C79-I101 WeakPolarHBondContact O-CA 3.18Å; C79-I101 WeakPolarHBondContact O-CD1 3.36Å; C79-F102 PolarHBondContact O-N 3.3Å; C79-I139 CarbonylContact C-O 3.54Å; C79-I139 WeakPolarHBondContact CA-O 3.29Å
80	V	98.8	Very high	95	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	110.1	179.1	-177.8	0	0	0	0	108.8	A82 F102 Y118 V138 I139 A140 D141 T153 L160	V80-A82 PolarHBondContact O-N 3.01Å; V80-A82 VanDerWaalsContact O-N 3.11Å; V80-F102 HydrophobicContact CB-CB 4.48Å; V80-F102 HydrophobicContact CG1-CB 4.45Å; V80-F102 HydrophobicContact CG2-CB 4.2Å; V80-F102 HydrophobicContact CG2-CD2 4.21Å; V80-F102 HydrophobicContact CG2-CG 4.32Å; V80-Y118 HydrophobicContact CG1-CD1 4.03Å; V80-Y118 HydrophobicContact CG1-CE1 3.5Å; V80-V138 HydrophobicContact CG2-CG1 3.85Å; V80-I139 PolarHBondContact N-O 3.24Å; V80-A140 HydrophobicContact CB-CB 4.13Å; V80-A140 WeakPolarHBondContact O-CA 3.47Å; V80-D141 PolarHBondContact O-N 2.88Å; V80-T153 HydrophobicContact CG1-CG2 4.17Å; V80-L160 HydrophobicContact CG2-CD1 3.87Å
81	S	98.1	Very high	94.8	Very high	16 Å²	16	25.5 Å²	25.5	11%	0.112	15%	0.148	C	C	.	.	S	Bend	trans	55.4	24.7	-174.9	-58.5	0	0	0	0	114.1	P83 F102 E103 D141	S81-P83 WeakPolarHBondContact O-CD 3.39Å; S81-F102 PolarHBondContact N-O 2.84Å; S81-E103 WeakPolarHBondContact CA-OE1 3.27Å; S81-D141 WeakPolarHBondContact CB-O 3.48Å
82	A	97.7	Very high	94.5	Very high	2 Å²	2	27.5 Å²	27.5	2%	0.017	16%	0.157	C	C	.	.			trans	-118.9	60.5	-176	0	0	0	0	0	112.5	C79 V80 S84 V85 Y86 I139 D141	C79-A82 HydrophobicContact CB-CB 4.33Å; V80-A82 PolarHBondContact O-N 3.01Å; V80-A82 VanDerWaalsContact O-N 3.11Å; A82-S84 PolarHBondContact O-N 2.8Å; A82-V85 HydrophobicContact CB-CG2 4.49Å; A82-V85 PolarHBondContact O-N 2.82Å; A82-Y86 PolarHBondContact O-N 2.91Å; A82-Y86 VanDerWaalsContact O-N 3.14Å; A82-I139 HydrophobicContact CB-CG2 4.28Å; A82-D141 HydrophobicContact CB-CB 4.04Å
83	P	96.2	Very high	93.7	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-68.7	-32.5	-169.1	27.2	-34.6	0	0	0	113.3	W54 S81 V85 Y86 Q87 I101 E103 F108	W54-P83 HydrophobicContact CE3-CG 3.95Å; W54-P83 HydrophobicContact CH2-CG 3.7Å; W54-P83 HydrophobicContact CZ3-CB 4.39Å; W54-P83 HydrophobicContact CZ3-CG 3.2Å; S81-P83 WeakPolarHBondContact O-CD 3.39Å; P83-V85 VanDerWaalsContact C-N 3.28Å; P83-V85 PolarHBondContact O-N 2.77Å; P83-Y86 WeakPolarHBondContact O-CB 3.29Å; P83-Y86 PolarHBondContact O-N 3.11Å; P83-Q87 WeakPolarHBondContact O-CG 3.47Å; P83-Q87 PolarHBondContact O-N 2.95Å; P83-I101 HydrophobicContact CB-CD1 4.45Å; P83-E103 VanDerWaalsContact CD-OE1 3.29Å; P83-E103 WeakPolarHBondContact CD-OE1 3.34Å; P83-F108 HydrophobicContact CB-CE1 3.71Å; P83-F108 HydrophobicContact CB-CE2 4.06Å; P83-F108 HydrophobicContact CB-CZ 3.37Å; P83-F108 HydrophobicContact CG-CE2 4.36Å; P83-F108 HydrophobicContact CG-CZ 3.9Å
84	S	95.6	Very high	92.8	Very high	7 Å²	7	24.7 Å²	24.7	5%	0.049	14%	0.139	C	C	.	.	H	α-helix	trans	-62.7	-37	176.5	-49.9	0	0	0	0	112	W54 Y55 A82 K88	W54-S84 WeakPolarHBondContact CA-OG 3.2Å; Y55-S84 PolarHBondContact N-OG 2.8Å; A82-S84 PolarHBondContact O-N 2.8Å; S84-K88 PolarHBondContact O-N 2.96Å
85	V	97	Very high	92.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-71.9	-43.4	176.6	-175.4	0	0	0	0	110.3	Y55 L63 A64 A82 P83 Q87 K88 L89 I139	Y55-V85 HydrophobicContact CD2-CG2 4.12Å; Y55-V85 HydrophobicContact CE2-CG2 4.33Å; L63-V85 HydrophobicContact CB-CG1 4.22Å; L63-V85 HydrophobicContact CB-CG2 3.94Å; L63-V85 HydrophobicContact CD1-CG2 3.82Å; A64-V85 HydrophobicContact CB-CG1 4.32Å; A82-V85 HydrophobicContact CB-CG2 4.49Å; A82-V85 PolarHBondContact O-N 2.82Å; P83-V85 VanDerWaalsContact C-N 3.28Å; P83-V85 PolarHBondContact O-N 2.77Å; V85-Q87 PolarHBondContact O-N 3Å; V85-K88 PolarHBondContact O-N 3.34Å; V85-L89 HydrophobicContact CG1-CD1 4.1Å; V85-L89 HydrophobicContact CG1-CG 4.38Å; V85-L89 WeakPolarHBondContact O-CG 3.27Å; V85-L89 PolarHBondContact O-N 3.3Å; V85-I139 HydrophobicContact CG1-CD1 3.65Å; V85-I139 HydrophobicContact CG1-CG2 4.45Å
86	Y	96.4	Very high	91.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-55	-49.4	175	173.9	-97.8	0	0	0	112.4	A82 P83 K88 L89 R90 V99 I101 Y111 E114	A82-Y86 PolarHBondContact O-N 2.91Å; A82-Y86 VanDerWaalsContact O-N 3.14Å; P83-Y86 WeakPolarHBondContact O-CB 3.29Å; P83-Y86 PolarHBondContact O-N 3.11Å; Y86-K88 VanDerWaalsContact C-N 3.28Å; Y86-K88 PolarHBondContact O-N 3.41Å; Y86-L89 WeakPolarHBondContact O-CB 3.42Å; Y86-L89 PolarHBondContact O-N 3.2Å; Y86-R90 HydrophobicContact CD1-CG 4.46Å; Y86-R90 VanDerWaalsContact CE1-CD 3.45Å; Y86-R90 HydrophobicContact CE1-CG 3.99Å; Y86-R90 HydrophobicContact CE2-CG 4.5Å; Y86-R90 PolarHBondContact O-N 2.95Å; Y86-V99 HydrophobicContact CD2-CG1 4.29Å; Y86-V99 HydrophobicContact CD2-CG2 3.61Å; Y86-V99 HydrophobicContact CE2-CB 4.42Å; Y86-V99 HydrophobicContact CE2-CG1 3.86Å; Y86-V99 HydrophobicContact CE2-CG2 3.93Å; Y86-I101 HydrophobicContact CD1-CB 4.16Å; Y86-I101 HydrophobicContact CD1-CG2 4.19Å; Y86-I101 HydrophobicContact CD2-CB 3.6Å; Y86-I101 HydrophobicContact CD2-CG2 4.08Å; Y86-I101 HydrophobicContact CE1-CB 4.39Å; Y86-I101 HydrophobicContact CE1-CG2 3.96Å; Y86-I101 HydrophobicContact CE2-CB 3.84Å; Y86-I101 HydrophobicContact CE2-CG2 3.83Å; Y86-I101 HydrophobicContact CG-CB 3.75Å; Y86-I101 HydrophobicContact CG-CD1 4.38Å; Y86-I101 HydrophobicContact CG-CG1 4.24Å; Y86-I101 HydrophobicContact CG-CG2 4.24Å; Y86-Y111 HydrophobicContact CD1-CD2 4.13Å; Y86-Y111 AromaticContact CD1-CE2 3.69Å; Y86-Y111 HydrophobicContact CD1-CE2 3.69Å; Y86-Y111 HydrophobicContact CE1-CD1 4.1Å; Y86-Y111 AromaticContact CE1-CD2 3.38Å; Y86-Y111 HydrophobicContact CE1-CD2 3.38Å; Y86-Y111 HydrophobicContact CE1-CE1 4.08Å; Y86-Y111 AromaticContact CE1-CE2 3.33Å; Y86-Y111 HydrophobicContact CE1-CE2 3.33Å; Y86-Y111 AromaticContact CE1-CG 3.76Å; Y86-Y111 HydrophobicContact CE1-CG 3.76Å; Y86-Y111 AromaticContact CE1-CZ 3.74Å; Y86-E114 VanDerWaalsContact OH-CB 3.31Å; Y86-E114 WeakPolarHBondContact OH-CB 3.48Å; Y86-E114 PolarHBondContact OH-OE2 3.26Å
87	Q	93.7	Very high	91.6	Very high	11 Å²	11	33 Å²	33	5%	0.051	17%	0.165	C	C	.	.	H	α-helix	trans	-57.9	-44.3	178.4	-74.6	172.7	-31.8	0	0	111	I41 P83 V85 L89 R90 E91 Y111	I41-Q87 HydrophobicContact CD1-CB 4.01Å; I41-Q87 HydrophobicContact CG1-CB 3.68Å; I41-Q87 HydrophobicContact CG1-CG 4.2Å; P83-Q87 WeakPolarHBondContact O-CG 3.47Å; P83-Q87 PolarHBondContact O-N 2.95Å; V85-Q87 PolarHBondContact O-N 3Å; Q87-L89 PolarHBondContact O-N 3.5Å; Q87-R90 WeakPolarHBondContact O-CB 3.2Å; Q87-R90 PolarHBondContact O-N 3.41Å; Q87-E91 PolarHBondContact O-N 2.87Å; Q87-Y111 WeakPolarHBondContact CG-OH 3.3Å; Q87-Y111 PolarHBondContact NE2-OH 3.09Å
88	K	94.9	Very high	91.5	Very high	20 Å²	20	36 Å²	36	9%	0.087	18%	0.184	C	C	.	.	H	α-helix	trans	-67.9	-36.3	178.9	-163.7	55.4	57.9	-167.2	0	113.3	A60 L61 A64 S84 V85 Y86 R90 E91 L92	A60-K88 HydrophobicContact CB-CB 4.17Å; A60-K88 HydrophobicContact CB-CG 4.48Å; L61-K88 HydrophobicContact CB-CD 4.36Å; L61-K88 HydrophobicContact CB-CG 4.22Å; L61-K88 HydrophobicContact CD1-CD 4.25Å; L61-K88 HydrophobicContact CD1-CG 4.29Å; A64-K88 HydrophobicContact CB-CB 4Å; A64-K88 HydrophobicContact CB-CG 3.94Å; S84-K88 PolarHBondContact O-N 2.96Å; V85-K88 PolarHBondContact O-N 3.34Å; Y86-K88 VanDerWaalsContact C-N 3.28Å; Y86-K88 PolarHBondContact O-N 3.41Å; K88-R90 VanDerWaalsContact C-N 3.3Å; K88-R90 PolarHBondContact O-N 2.78Å; K88-E91 IonicContact NZ-OE1 3.03Å; K88-E91 PolarHBondContact NZ-OE1 3.1Å; K88-E91 IonicContact NZ-OE2 3.84Å; K88-E91 PolarHBondContact NZ-OE2 3.37Å; K88-E91 PolarHBondContact O-N 2.87Å; K88-L92 HydrophobicContact CG-CD1 4.13Å; K88-L92 WeakPolarHBondContact O-CG 3.22Å; K88-L92 PolarHBondContact O-N 2.82Å
89	L	94.8	Very high	91.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-39	172.9	-75.2	167.5	0	0	0	111.6	A64 I68 I77 V85 Y86 Q87 E91 L92 F97 V99 I139	A64-L89 HydrophobicContact CB-CD2 3.78Å; A64-L89 HydrophobicContact CB-CG 3.82Å; I68-L89 HydrophobicContact CD1-CD2 3.89Å; I68-L89 HydrophobicContact CG1-CD2 3.64Å; I77-L89 HydrophobicContact CD1-CD1 4.16Å; I77-L89 HydrophobicContact CD1-CD2 3.81Å; I77-L89 HydrophobicContact CG2-CD1 3.82Å; V85-L89 HydrophobicContact CG1-CD1 4.1Å; V85-L89 HydrophobicContact CG1-CG 4.38Å; V85-L89 WeakPolarHBondContact O-CG 3.27Å; V85-L89 PolarHBondContact O-N 3.3Å; Y86-L89 WeakPolarHBondContact O-CB 3.42Å; Y86-L89 PolarHBondContact O-N 3.2Å; Q87-L89 PolarHBondContact O-N 3.5Å; L89-E91 VanDerWaalsContact C-N 3.31Å; L89-E91 PolarHBondContact O-N 2.97Å; L89-L92 PolarHBondContact O-N 3.43Å; L89-F97 HydrophobicContact CB-CE2 4.1Å; L89-F97 HydrophobicContact CB-CZ 4.39Å; L89-F97 HydrophobicContact CD2-CE2 4.1Å; L89-F97 HydrophobicContact CD2-CZ 4.12Å; L89-F97 WeakPolarHBondContact O-CZ 3.22Å; L89-V99 HydrophobicContact CB-CG2 4.3Å; L89-V99 HydrophobicContact CD1-CG2 3.74Å; L89-I139 HydrophobicContact CD1-CD1 4.26Å
90	R	91.3	Very high	91.3	Very high	33 Å²	33	38.8 Å²	38.8	13%	0.125	20%	0.195	C	C	.	.	H	α-helix	trans	-61.7	-38.5	175.3	-69.7	-166.9	52.4	165.9	4	113.1	Y39 Y86 Q87 K88 L92 R94 Y111	Y39-R90 VanDerWaalsContact CD1-NH1 3.25Å; Y39-R90 VanDerWaalsContact CG-CZ 3.49Å; Y86-R90 HydrophobicContact CD1-CG 4.46Å; Y86-R90 VanDerWaalsContact CE1-CD 3.45Å; Y86-R90 HydrophobicContact CE1-CG 3.99Å; Y86-R90 HydrophobicContact CE2-CG 4.5Å; Y86-R90 PolarHBondContact O-N 2.95Å; Q87-R90 WeakPolarHBondContact O-CB 3.2Å; Q87-R90 PolarHBondContact O-N 3.41Å; K88-R90 VanDerWaalsContact C-N 3.3Å; K88-R90 PolarHBondContact O-N 2.78Å; R90-L92 VanDerWaalsContact C-N 3.35Å; R90-R94 VanDerWaalsContact CG-NH2 3.25Å; R90-R94 VanDerWaalsContact CZ-NH1 3.25Å; R90-R94 VanDerWaalsContact CZ-NH2 3.31Å; R90-Y111 VanDerWaalsContact NH1-CE1 3.33Å
91	E	90.6	Very high	91.3	Very high	86 Å²	86	38.8 Å²	38.8	40%	0.402	20%	0.195	S	C	.	.	H	α-helix	trans	-70.2	-28.4	179.7	-66.1	171.7	-142.6	0	0	113	I41 Q87 K88 L89 C93	I41-E91 WeakPolarHBondContact CD1-OE1 3.47Å; Q87-E91 PolarHBondContact O-N 2.87Å; K88-E91 IonicContact NZ-OE1 3.03Å; K88-E91 PolarHBondContact NZ-OE1 3.1Å; K88-E91 IonicContact NZ-OE2 3.84Å; K88-E91 PolarHBondContact NZ-OE2 3.37Å; K88-E91 PolarHBondContact O-N 2.87Å; L89-E91 VanDerWaalsContact C-N 3.31Å; L89-E91 PolarHBondContact O-N 2.97Å; E91-C93 VanDerWaalsContact C-N 3.33Å; E91-C93 PolarHBondContact O-N 3.01Å
92	L	87.7	Confident	91.3	Very high	59 Å²	59	38 Å²	38	31%	0.309	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	24.9	-170.7	-68.9	170.9	0	0	0	115.4	L61 A64 Q65 I68 K88 L89 R90	L61-L92 HydrophobicContact CD1-CD1 3.79Å; L61-L92 HydrophobicContact CD1-CD2 3.96Å; L61-L92 HydrophobicContact CD1-CG 4.39Å; A64-L92 HydrophobicContact CB-CD1 3.83Å; Q65-L92 HydrophobicContact CG-CD1 4.37Å; I68-L92 HydrophobicContact CD1-CB 3.98Å; I68-L92 HydrophobicContact CD1-CD1 4.07Å; K88-L92 HydrophobicContact CG-CD1 4.13Å; K88-L92 WeakPolarHBondContact O-CG 3.22Å; K88-L92 PolarHBondContact O-N 2.82Å; L89-L92 PolarHBondContact O-N 3.43Å; R90-L92 VanDerWaalsContact C-N 3.35Å
93	C	70.2	Confident	91.4	Very high	87 Å²	87	38.4 Å²	38.4	59%	0.588	19%	0.191	S	C	*	.			trans	77.3	109.5	179.1	-58.6	0	0	0	0	116.3	E91 E95 F97	E91-C93 VanDerWaalsContact C-N 3.33Å; E91-C93 PolarHBondContact O-N 3.01Å; C93-E95 PolarHBondContact O-N 3.19Å; C93-F97 WeakPolarHBondContact O-CE1 3.29Å
94	R	69.8	Low	91.4	Very high	75 Å²	75	43.6 Å²	43.6	28%	0.283	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-78.8	-11.1	-177.7	-69.8	174.6	145.1	164.6	-10.7	116.3	R90 N96 F97 E114	R90-R94 VanDerWaalsContact CG-NH2 3.25Å; R90-R94 VanDerWaalsContact CZ-NH1 3.25Å; R90-R94 VanDerWaalsContact CZ-NH2 3.31Å; R94-N96 PolarHBondContact O-N 3.31Å; R94-N96 VanDerWaalsContact O-N 3.12Å; R94-F97 PolarHBondContact O-N 2.88Å; R94-E114 IonicContact CZ-OE1 2.93Å; R94-E114 IonicContact CZ-OE2 3.59Å; R94-E114 IonicContact NE-OE1 2.66Å; R94-E114 IonicContact NH2-OE1 3.15Å; R94-E114 PolarHBondContact NH2-OE1 3.33Å; R94-E114 IonicContact NH2-OE2 3.27Å; R94-E114 PolarHBondContact NH2-OE2 3.43Å
95	E	78.2	Confident	91.5	Very high	193 Å²	193	43.9 Å²	43.9	90%	0.902	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-64.5	-21.2	-175.7	-62.3	-173.1	164.3	0	0	112.3	C93	C93-E95 PolarHBondContact O-N 3.19Å
96	N	84.4	Confident	91.4	Very high	89 Å²	89	50.7 Å²	50.7	48%	0.476	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-99.7	-8	-173.6	-65	-19.5	0	0	0	114.4	G74 R94	G74-N96 WeakPolarHBondContact CA-O 3.32Å; G74-N96 PolarHBondContact N-O 3.3Å; R94-N96 PolarHBondContact O-N 3.31Å; R94-N96 VanDerWaalsContact O-N 3.12Å
97	F	93.2	Very high	91.4	Very high	10 Å²	10	55.8 Å²	55.8	4%	0.044	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	159.4	-179.4	56.5	-92.1	0	0	0	111.6	I68 V71 G75 I77 L89 C93 R94 V99	I68-F97 HydrophobicContact CD1-CE1 3.67Å; I68-F97 HydrophobicContact CD1-CZ 3.94Å; I68-F97 HydrophobicContact CG1-CD1 4.04Å; I68-F97 HydrophobicContact CG1-CE1 3.59Å; I68-F97 HydrophobicContact CG1-CZ 3.98Å; I68-F97 HydrophobicContact CG2-CD1 4.48Å; I68-F97 HydrophobicContact CG2-CE1 4.46Å; V71-F97 HydrophobicContact CG1-CB 4.07Å; G75-F97 CarbonylContact O-C 3.49Å; G75-F97 VanDerWaalsContact O-CA 3.3Å; G75-F97 WeakPolarHBondContact O-CA 3.13Å; G75-F97 WeakPolarHBondContact O-CB 3.44Å; I77-F97 HydrophobicContact CD1-CD2 3.83Å; I77-F97 HydrophobicContact CD1-CE2 4.29Å; I77-F97 HydrophobicContact CD1-CG 4.16Å; L89-F97 HydrophobicContact CB-CE2 4.1Å; L89-F97 HydrophobicContact CB-CZ 4.39Å; L89-F97 HydrophobicContact CD2-CE2 4.1Å; L89-F97 HydrophobicContact CD2-CZ 4.12Å; L89-F97 WeakPolarHBondContact O-CZ 3.22Å; C93-F97 WeakPolarHBondContact O-CE1 3.29Å; R94-F97 PolarHBondContact O-N 2.88Å; F97-V99 HydrophobicContact CD2-CB 4.33Å; F97-V99 HydrophobicContact CE2-CB 4.33Å; F97-V99 HydrophobicContact CE2-CG1 4.41Å
98	T	95.1	Very high	91.4	Very high	63 Å²	63	55.2 Å²	55.2	39%	0.387	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141.3	170	62.3	0	0	0	0	110.2	G75 R76 I77	G75-T98 PolarHBondContact O-N 2.81Å; R76-T98 WeakPolarHBondContact CA-O 3.43Å; R76-T98 VanDerWaalsContact CG-OG1 3.3Å; R76-T98 WeakPolarHBondContact CG-OG1 3.31Å; I77-T98 PolarHBondContact N-O 3.25Å
99	V	96.6	Very high	91.4	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.6	-177.1	64.2	0	0	0	0	110.6	I77 Y86 L89 F97	I77-V99 HydrophobicContact CB-CB 4.46Å; I77-V99 HydrophobicContact CB-CG2 4.21Å; I77-V99 HydrophobicContact CG2-CG2 4.28Å; I77-V99 WeakPolarHBondContact O-CA 3.2Å; Y86-V99 HydrophobicContact CD2-CG1 4.29Å; Y86-V99 HydrophobicContact CD2-CG2 3.61Å; Y86-V99 HydrophobicContact CE2-CB 4.42Å; Y86-V99 HydrophobicContact CE2-CG1 3.86Å; Y86-V99 HydrophobicContact CE2-CG2 3.93Å; L89-V99 HydrophobicContact CB-CG2 4.3Å; L89-V99 HydrophobicContact CD1-CG2 3.74Å; F97-V99 HydrophobicContact CD2-CB 4.33Å; F97-V99 HydrophobicContact CE2-CB 4.33Å; F97-V99 HydrophobicContact CE2-CG1 4.41Å
100	Y	98	Very high	91.3	Very high	56 Å²	56	59.6 Å²	59.6	22%	0.22	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.8	178	-67.8	-105.5	0	0	0	109.5	I77 C79 E114 I116 F135	I77-Y100 PolarHBondContact O-N 3.05Å; C79-Y100 PolarHBondContact N-O 3Å; Y100-E114 WeakPolarHBondContact CA-O 3.37Å; Y100-I116 HydrophobicContact CD1-CD1 4.5Å; Y100-I116 HydrophobicContact CD1-CG1 4.4Å; Y100-F135 AromaticContact CD2-CE1 3.52Å; Y100-F135 HydrophobicContact CD2-CE1 3.52Å; Y100-F135 AromaticContact CD2-CZ 3.95Å; Y100-F135 HydrophobicContact CD2-CZ 3.95Å; Y100-F135 HydrophobicContact CE2-CE1 4.27Å; Y100-F135 AromaticContact CG-CE1 3.92Å; Y100-F135 HydrophobicContact CG-CE1 3.92Å; Y100-F135 HydrophobicContact CG-CZ 4Å
101	I	98.3	Very high	91.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120	175.9	-178.5	62	0	0	0	109.9	C79 P83 Y86 E103 Y111 E114 F115 I116	C79-I101 HydrophobicContact CB-CD1 3.76Å; C79-I101 WeakPolarHBondContact O-CA 3.18Å; C79-I101 WeakPolarHBondContact O-CD1 3.36Å; P83-I101 HydrophobicContact CB-CD1 4.45Å; Y86-I101 HydrophobicContact CD1-CB 4.16Å; Y86-I101 HydrophobicContact CD1-CG2 4.19Å; Y86-I101 HydrophobicContact CD2-CB 3.6Å; Y86-I101 HydrophobicContact CD2-CG2 4.08Å; Y86-I101 HydrophobicContact CE1-CB 4.39Å; Y86-I101 HydrophobicContact CE1-CG2 3.96Å; Y86-I101 HydrophobicContact CE2-CB 3.84Å; Y86-I101 HydrophobicContact CE2-CG2 3.83Å; Y86-I101 HydrophobicContact CG-CB 3.75Å; Y86-I101 HydrophobicContact CG-CD1 4.38Å; Y86-I101 HydrophobicContact CG-CG1 4.24Å; Y86-I101 HydrophobicContact CG-CG2 4.24Å; I101-E103 HydrophobicContact CD1-CG 3.68Å; I101-E103 HydrophobicContact CG1-CB 4.05Å; I101-E103 HydrophobicContact CG1-CG 3.61Å; I101-Y111 HydrophobicContact CG2-CD2 3.87Å; I101-E114 PolarHBondContact N-O 3.22Å; I101-F115 HydrophobicContact CG2-CB 4.27Å; I101-F115 HydrophobicContact CG2-CD2 4.3Å; I101-I116 PolarHBondContact O-N 3.24Å
102	F	98.7	Very high	91.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	103.4	174.1	-64.4	-103.8	0	0	0	107.3	A78 C79 V80 S81 I116 Y118 L126 I130 F135 L160	A78-F102 HydrophobicContact CB-CD2 4.16Å; A78-F102 HydrophobicContact CB-CE2 3.7Å; C79-F102 PolarHBondContact O-N 3.3Å; V80-F102 HydrophobicContact CB-CB 4.48Å; V80-F102 HydrophobicContact CG1-CB 4.45Å; V80-F102 HydrophobicContact CG2-CB 4.2Å; V80-F102 HydrophobicContact CG2-CD2 4.21Å; V80-F102 HydrophobicContact CG2-CG 4.32Å; S81-F102 PolarHBondContact N-O 2.84Å; F102-I116 WeakPolarHBondContact CA-O 3.49Å; F102-I116 HydrophobicContact CD1-CB 3.74Å; F102-I116 HydrophobicContact CD1-CG1 4.27Å; F102-I116 HydrophobicContact CD1-CG2 3.64Å; F102-I116 HydrophobicContact CE1-CB 3.94Å; F102-I116 HydrophobicContact CE1-CG1 4.02Å; F102-I116 HydrophobicContact CE1-CG2 3.73Å; F102-I116 HydrophobicContact CG-CB 4.18Å; F102-I116 HydrophobicContact CZ-CG1 4.17Å; F102-Y118 HydrophobicContact CB-CD1 4.23Å; F102-Y118 HydrophobicContact CB-CG 4Å; F102-L126 HydrophobicContact CD1-CD2 3.98Å; F102-L126 HydrophobicContact CE1-CD1 4.42Å; F102-L126 HydrophobicContact CE1-CD2 4.01Å; F102-I130 HydrophobicContact CE1-CG1 4.37Å; F102-I130 HydrophobicContact CE1-CG2 4.12Å; F102-I130 HydrophobicContact CZ-CD1 4.27Å; F102-I130 HydrophobicContact CZ-CG1 4.47Å; F102-I130 HydrophobicContact CZ-CG2 4.04Å; F102-F135 HydrophobicContact CE2-CE2 4.28Å; F102-F135 AromaticContact CE2-CZ 3.95Å; F102-F135 HydrophobicContact CE2-CZ 3.95Å; F102-F135 AromaticContact CZ-CE2 3.97Å; F102-F135 HydrophobicContact CZ-CE2 3.97Å; F102-F135 AromaticContact CZ-CZ 3.91Å; F102-F135 HydrophobicContact CZ-CZ 3.91Å; F102-L160 HydrophobicContact CD1-CD1 4.4Å; F102-L160 HydrophobicContact CD2-CD1 4.34Å; F102-L160 HydrophobicContact CE1-CD1 4.07Å; F102-L160 HydrophobicContact CE1-CD2 4.01Å; F102-L160 HydrophobicContact CE2-CD1 4.02Å; F102-L160 HydrophobicContact CZ-CD1 3.88Å; F102-L160 HydrophobicContact CZ-CD2 3.73Å; F102-L160 HydrophobicContact CZ-CG 4.5Å
103	E	98.1	Very high	91.7	Very high	10 Å²	10	59.9 Å²	59.9	5%	0.047	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	144.7	-171.8	-99.9	-66.8	174	0	0	112.8	S81 P83 I101 F108 F115 I116 F117 Y118	S81-E103 WeakPolarHBondContact CA-OE1 3.27Å; P83-E103 VanDerWaalsContact CD-OE1 3.29Å; P83-E103 WeakPolarHBondContact CD-OE1 3.34Å; I101-E103 HydrophobicContact CD1-CG 3.68Å; I101-E103 HydrophobicContact CG1-CB 4.05Å; I101-E103 HydrophobicContact CG1-CG 3.61Å; E103-F108 HydrophobicContact CB-CB 4.46Å; E103-F108 HydrophobicContact CB-CD2 3.9Å; E103-F108 HydrophobicContact CB-CG 4.45Å; E103-F108 HydrophobicContact CG-CD2 3.8Å; E103-F108 HydrophobicContact CG-CE2 4.07Å; E103-F108 HydrophobicContact CG-CG 4.45Å; E103-F115 HydrophobicContact CB-CD2 4.37Å; E103-F115 HydrophobicContact CB-CE2 3.83Å; E103-I116 PolarHBondContact N-O 3.46Å; E103-F117 WeakPolarHBondContact O-CA 3.2Å; E103-Y118 CarbonylContact C-O 3.51Å; E103-Y118 PolarHBondContact O-N 3.04Å
104	Y	97.8	Very high	92.9	Very high	113 Å²	113	58 Å²	58	44%	0.443	28%	0.283	S	S	.	.	S	Bend	trans	-79.8	-34.1	176.3	-176.6	-96.5	0	0	0	110.9	L50 K106 F117 Y118 D119	L50-Y104 HydrophobicContact CD1-CD1 4.34Å; L50-Y104 HydrophobicContact CD2-CD1 3.7Å; L50-Y104 HydrophobicContact CD2-CE1 3.77Å; Y104-K106 PolarHBondContact O-N 3.35Å; Y104-K106 VanDerWaalsContact O-N 3.09Å; Y104-F117 HydrophobicContact CD2-CE2 4.13Å; Y104-F117 HydrophobicContact CD2-CZ 4.03Å; Y104-F117 HydrophobicContact CE2-CE2 4.38Å; Y104-F117 HydrophobicContact CE2-CZ 4.01Å; Y104-F117 VanDerWaalsContact O-CE2 3.27Å; Y104-F117 WeakPolarHBondContact O-CE2 3.29Å; Y104-Y118 WeakPolarHBondContact CA-O 3.15Å; Y104-Y118 WeakPolarHBondContact CB-O 3.36Å; Y104-Y118 PolarHBondContact N-O 2.92Å; Y104-D119 HydrophobicContact CD2-CB 3.95Å; Y104-D119 HydrophobicContact CE2-CB 4.13Å
105	D	96.7	Very high	94.3	Very high	13 Å²	13	55.4 Å²	55.4	7%	0.07	27%	0.274	C	S	.	.			trans	-73.1	107.2	-178.3	-174	-9.8	0	0	0	111.4	L50 Q52 R107 F108	L50-D105 HydrophobicContact CD1-CB 3.8Å; Q52-D105 VanDerWaalsContact NE2-CB 3.3Å; Q52-D105 PolarHBondContact NE2-OD2 3.45Å; Q52-D105 VanDerWaalsContact NE2-OD2 3.14Å; D105-R107 PolarHBondContact O-N 3.34Å; D105-R107 VanDerWaalsContact OD1-CB 3.25Å; D105-R107 WeakPolarHBondContact OD1-CB 3.29Å; D105-R107 VanDerWaalsContact OD1-CG 3.22Å; D105-R107 WeakPolarHBondContact OD1-CG 3.31Å; D105-R107 PolarHBondContact OD1-N 3.49Å; D105-R107 IonicContact OD1-NE 2.87Å; D105-R107 PolarHBondContact OD1-NE 3.34Å; D105-R107 VanDerWaalsContact OD1-NE 3.13Å; D105-R107 IonicContact OD2-CZ 2.65Å; D105-R107 IonicContact OD2-NE 2.59Å; D105-R107 PolarHBondContact OD2-NE 2.76Å; D105-R107 IonicContact OD2-NH2 3.59Å; D105-R107 PolarHBondContact OD2-NH2 3.28Å; D105-F108 HydrophobicContact CB-CD2 3.82Å; D105-F108 HydrophobicContact CB-CE2 4Å; D105-F108 WeakPolarHBondContact O-CB 3.44Å; D105-F108 WeakPolarHBondContact O-CD2 3.44Å; D105-F108 PolarHBondContact O-N 3.5Å
106	K	96.1	Very high	95.2	Very high	144 Å²	144	46.3 Å²	46.3	63%	0.626	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-62.2	-12.7	-178.6	-64.2	-176	-179.6	-179	0	113.8	Y104 F108 A109 F117	Y104-K106 PolarHBondContact O-N 3.35Å; Y104-K106 VanDerWaalsContact O-N 3.09Å; K106-F108 PolarHBondContact O-N 3.38Å; K106-A109 WeakPolarHBondContact O-CB 3.32Å; K106-A109 PolarHBondContact O-N 2.94Å; K106-F117 HydrophobicContact CD-CD2 4.49Å; K106-F117 HydrophobicContact CD-CE2 4.37Å; K106-F117 VanDerWaalsContact CE-CE2 3.45Å; K106-F117 HydrophobicContact CG-CD2 3.85Å; K106-F117 HydrophobicContact CG-CE2 3.94Å
107	R	95	Very high	95.9	Very high	106 Å²	106	45.8 Å²	45.8	40%	0.4	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-59.6	-29.6	171.6	-65.3	-179.2	-66.9	165.8	5	111.6	I44 E45 D105 A109	I44-R107 HydrophobicContact CD1-CB 3.88Å; I44-R107 HydrophobicContact CG1-CB 4.15Å; I44-R107 HydrophobicContact CG2-CB 4.3Å; E45-R107 PolarHBondContact O-NH1 3.12Å; E45-R107 PolarHBondContact O-NH2 3.03Å; D105-R107 PolarHBondContact O-N 3.34Å; D105-R107 VanDerWaalsContact OD1-CB 3.25Å; D105-R107 WeakPolarHBondContact OD1-CB 3.29Å; D105-R107 VanDerWaalsContact OD1-CG 3.22Å; D105-R107 WeakPolarHBondContact OD1-CG 3.31Å; D105-R107 PolarHBondContact OD1-N 3.49Å; D105-R107 IonicContact OD1-NE 2.87Å; D105-R107 PolarHBondContact OD1-NE 3.34Å; D105-R107 VanDerWaalsContact OD1-NE 3.13Å; D105-R107 IonicContact OD2-CZ 2.65Å; D105-R107 IonicContact OD2-NE 2.59Å; D105-R107 PolarHBondContact OD2-NE 2.76Å; D105-R107 IonicContact OD2-NH2 3.59Å; D105-R107 PolarHBondContact OD2-NH2 3.28Å; R107-A109 PolarHBondContact O-N 3.03Å
108	F	94.9	Very high	96.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-70	-7.3	175.4	-67.9	-67.4	0	0	0	114.2	I44 W54 P83 E103 D105 K106 M110 Y111 F115	I44-F108 HydrophobicContact CB-CE1 4.36Å; I44-F108 HydrophobicContact CB-CZ 4.48Å; I44-F108 HydrophobicContact CD1-CD1 3.32Å; I44-F108 HydrophobicContact CD1-CD2 4.48Å; I44-F108 HydrophobicContact CD1-CE1 3.55Å; I44-F108 HydrophobicContact CD1-CG 3.87Å; I44-F108 HydrophobicContact CD1-CZ 4.2Å; I44-F108 HydrophobicContact CG2-CE1 4.33Å; I44-F108 HydrophobicContact CG2-CE2 4.34Å; I44-F108 HydrophobicContact CG2-CZ 4.01Å; W54-F108 HydrophobicContact CH2-CE2 4.49Å; W54-F108 HydrophobicContact CH2-CZ 4.06Å; W54-F108 HydrophobicContact CZ2-CZ 4.49Å; P83-F108 HydrophobicContact CB-CE1 3.71Å; P83-F108 HydrophobicContact CB-CE2 4.06Å; P83-F108 HydrophobicContact CB-CZ 3.37Å; P83-F108 HydrophobicContact CG-CE2 4.36Å; P83-F108 HydrophobicContact CG-CZ 3.9Å; E103-F108 HydrophobicContact CB-CB 4.46Å; E103-F108 HydrophobicContact CB-CD2 3.9Å; E103-F108 HydrophobicContact CB-CG 4.45Å; E103-F108 HydrophobicContact CG-CD2 3.8Å; E103-F108 HydrophobicContact CG-CE2 4.07Å; E103-F108 HydrophobicContact CG-CG 4.45Å; D105-F108 HydrophobicContact CB-CD2 3.82Å; D105-F108 HydrophobicContact CB-CE2 4Å; D105-F108 WeakPolarHBondContact O-CB 3.44Å; D105-F108 WeakPolarHBondContact O-CD2 3.44Å; D105-F108 PolarHBondContact O-N 3.5Å; K106-F108 PolarHBondContact O-N 3.38Å; F108-M110 PolarHBondContact O-N 2.97Å; F108-Y111 HydrophobicContact CB-CD2 4.08Å; F108-Y111 HydrophobicContact CB-CE2 4.22Å; F108-Y111 HydrophobicContact CD1-CD2 4.05Å; F108-Y111 AromaticContact CD1-CE2 3.32Å; F108-Y111 HydrophobicContact CD1-CE2 3.32Å; F108-Y111 HydrophobicContact CE1-CE2 4.07Å; F108-Y111 HydrophobicContact CG-CE2 4.21Å; F108-Y111 WeakPolarHBondContact O-CB 3.46Å; F108-Y111 VanDerWaalsContact O-CD2 3.25Å; F108-Y111 WeakPolarHBondContact O-CD2 3.41Å; F108-Y111 PolarHBondContact O-N 3.02Å; F108-F115 HydrophobicContact CB-CD2 3.59Å; F108-F115 HydrophobicContact CB-CE2 3.72Å
109	A	94.5	Very high	96.3	Very high	52 Å²	52	43.9 Å²	43.9	43%	0.43	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-59.6	-15	173.5	0	0	0	0	0	113.8	K106 R107 Y111 G112 F115	K106-A109 WeakPolarHBondContact O-CB 3.32Å; K106-A109 PolarHBondContact O-N 2.94Å; R107-A109 PolarHBondContact O-N 3.03Å; A109-Y111 PolarHBondContact O-N 3.01Å; A109-Y111 VanDerWaalsContact O-N 3.1Å; A109-G112 PolarHBondContact O-N 3.21Å; A109-F115 HydrophobicContact CB-CD1 3.85Å; A109-F115 HydrophobicContact CB-CE1 3.9Å
110	M	92.1	Very high	96.3	Very high	59 Å²	59	45.9 Å²	45.9	29%	0.291	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-55.7	-22.4	169.2	67.3	-174.4	-74.6	0	0	113.4	K38 Y39 I43 I44 F108 G112	K38-M110 WeakPolarHBondContact O-CE 3.41Å; Y39-M110 HydrophobicContact CD1-CE 3.39Å; Y39-M110 HydrophobicContact CD1-CG 4.33Å; Y39-M110 HydrophobicContact CE1-CB 4.27Å; Y39-M110 HydrophobicContact CE1-CE 3.7Å; Y39-M110 HydrophobicContact CE1-CG 4.15Å; Y39-M110 WeakPolarHBondContact CE1-O 3.21Å; Y39-M110 HydrophobicContact CG-CE 4.42Å; Y39-M110 PolarHBondContact OH-O 3.39Å; Y39-M110 VanDerWaalsContact OH-O 3.12Å; I43-M110 HydrophobicContact CB-CE 4.49Å; I43-M110 HydrophobicContact CD1-CE 3.67Å; I43-M110 HydrophobicContact CG2-CE 4.19Å; I43-M110 HydrophobicContact CG2-SD 4.21Å; I44-M110 HydrophobicContact CD1-SD 3.86Å; I44-M110 HydrophobicContact CG1-SD 4.31Å; F108-M110 PolarHBondContact O-N 2.97Å; M110-G112 PolarHBondContact O-N 3.13Å
111	Y	91.5	Very high	96.3	Very high	10 Å²	10	46.5 Å²	46.5	4%	0.039	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-79.7	3.8	176.6	-56.2	-42.7	0	0	0	114.4	Y39 Y86 Q87 R90 I101 F108 A109 E113 E114	Y39-Y111 AromaticContact CD1-CD1 3.42Å; Y39-Y111 HydrophobicContact CD1-CD1 3.42Å; Y39-Y111 VanDerWaalsContact CD1-CD1 3.42Å; Y39-Y111 AromaticContact CD1-CE1 3.4Å; Y39-Y111 HydrophobicContact CD1-CE1 3.4Å; Y39-Y111 VanDerWaalsContact CD1-CE1 3.4Å; Y39-Y111 AromaticContact CE1-CD1 3.77Å; Y39-Y111 HydrophobicContact CE1-CD1 3.77Å; Y39-Y111 HydrophobicContact CE1-CE1 4.2Å; Y39-Y111 HydrophobicContact CG-CD1 4.28Å; Y39-Y111 HydrophobicContact CG-CE1 4.09Å; Y86-Y111 HydrophobicContact CD1-CD2 4.13Å; Y86-Y111 AromaticContact CD1-CE2 3.69Å; Y86-Y111 HydrophobicContact CD1-CE2 3.69Å; Y86-Y111 HydrophobicContact CE1-CD1 4.1Å; Y86-Y111 AromaticContact CE1-CD2 3.38Å; Y86-Y111 HydrophobicContact CE1-CD2 3.38Å; Y86-Y111 HydrophobicContact CE1-CE1 4.08Å; Y86-Y111 AromaticContact CE1-CE2 3.33Å; Y86-Y111 HydrophobicContact CE1-CE2 3.33Å; Y86-Y111 AromaticContact CE1-CG 3.76Å; Y86-Y111 HydrophobicContact CE1-CG 3.76Å; Y86-Y111 AromaticContact CE1-CZ 3.74Å; Q87-Y111 WeakPolarHBondContact CG-OH 3.3Å; Q87-Y111 PolarHBondContact NE2-OH 3.09Å; R90-Y111 VanDerWaalsContact NH1-CE1 3.33Å; I101-Y111 HydrophobicContact CG2-CD2 3.87Å; F108-Y111 HydrophobicContact CB-CD2 4.08Å; F108-Y111 HydrophobicContact CB-CE2 4.22Å; F108-Y111 HydrophobicContact CD1-CD2 4.05Å; F108-Y111 AromaticContact CD1-CE2 3.32Å; F108-Y111 HydrophobicContact CD1-CE2 3.32Å; F108-Y111 HydrophobicContact CE1-CE2 4.07Å; F108-Y111 HydrophobicContact CG-CE2 4.21Å; F108-Y111 WeakPolarHBondContact O-CB 3.46Å; F108-Y111 VanDerWaalsContact O-CD2 3.25Å; F108-Y111 WeakPolarHBondContact O-CD2 3.41Å; F108-Y111 PolarHBondContact O-N 3.02Å; A109-Y111 PolarHBondContact O-N 3.01Å; A109-Y111 VanDerWaalsContact O-N 3.1Å; Y111-E113 PolarHBondContact O-N 3.49Å; Y111-E114 PolarHBondContact O-N 3.28Å
112	G	94.3	Very high	96.3	Very high	42 Å²	42	50.6 Å²	50.6	43%	0.433	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	62.1	-129.8	172.1	0	0	0	0	0	112.8	A109 M110 E114 F115	A109-G112 PolarHBondContact O-N 3.21Å; M110-G112 PolarHBondContact O-N 3.13Å; G112-E114 PolarHBondContact O-N 3.04Å; G112-F115 PolarHBondContact O-N 3.22Å; G112-F115 VanDerWaalsContact O-N 3.14Å
113	E	93.3	Very high	96.1	Very high	133 Å²	133	51.3 Å²	51.3	62%	0.621	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-64.8	-23	-174.4	-64.3	-58.8	143.5	0	0	114.3	Y111 F115 R129	Y111-E113 PolarHBondContact O-N 3.49Å; E113-F115 VanDerWaalsContact C-N 3.31Å; E113-R129 PolarHBondContact O-NH2 3.35Å; E113-R129 IonicContact OE2-CZ 3.3Å; E113-R129 VanDerWaalsContact OE2-CZ 3.3Å; E113-R129 IonicContact OE2-NH1 2.66Å; E113-R129 PolarHBondContact OE2-NH1 2.95Å; E113-R129 IonicContact OE2-NH2 3.13Å
114	E	95.6	Very high	96.1	Very high	47 Å²	47	55.4 Å²	55.4	22%	0.22	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-75.8	-22.4	178.4	-59.3	172.4	132.3	0	0	112.1	Y86 R94 Y100 I101 Y111 G112	Y86-E114 VanDerWaalsContact OH-CB 3.31Å; Y86-E114 WeakPolarHBondContact OH-CB 3.48Å; Y86-E114 PolarHBondContact OH-OE2 3.26Å; R94-E114 IonicContact CZ-OE1 2.93Å; R94-E114 IonicContact CZ-OE2 3.59Å; R94-E114 IonicContact NE-OE1 2.66Å; R94-E114 IonicContact NH2-OE1 3.15Å; R94-E114 PolarHBondContact NH2-OE1 3.33Å; R94-E114 IonicContact NH2-OE2 3.27Å; R94-E114 PolarHBondContact NH2-OE2 3.43Å; Y100-E114 WeakPolarHBondContact CA-O 3.37Å; I101-E114 PolarHBondContact N-O 3.22Å; Y111-E114 PolarHBondContact O-N 3.28Å; G112-E114 PolarHBondContact O-N 3.04Å
115	F	97.7	Very high	96.1	Very high	21 Å²	21	56 Å²	56	9%	0.092	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	129.4	174.5	170.9	-101	0	0	0	110.9	I101 E103 F108 A109 G112 E113 F117 R129	I101-F115 HydrophobicContact CG2-CB 4.27Å; I101-F115 HydrophobicContact CG2-CD2 4.3Å; E103-F115 HydrophobicContact CB-CD2 4.37Å; E103-F115 HydrophobicContact CB-CE2 3.83Å; F108-F115 HydrophobicContact CB-CD2 3.59Å; F108-F115 HydrophobicContact CB-CE2 3.72Å; A109-F115 HydrophobicContact CB-CD1 3.85Å; A109-F115 HydrophobicContact CB-CE1 3.9Å; G112-F115 PolarHBondContact O-N 3.22Å; G112-F115 VanDerWaalsContact O-N 3.14Å; E113-F115 VanDerWaalsContact C-N 3.31Å; F115-F117 HydrophobicContact CE1-CB 3.98Å; F115-F117 HydrophobicContact CZ-CB 4Å; F115-F117 HydrophobicContact CZ-CD2 4.36Å; F115-R129 PolarHBondContact O-NH2 3.42Å
116	I	98.4	Very high	96.1	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.2	171.7	-51.8	-61.5	0	0	0	106.8	Y100 I101 F102 E103 Y118 L126 P127 I130	Y100-I116 HydrophobicContact CD1-CD1 4.5Å; Y100-I116 HydrophobicContact CD1-CG1 4.4Å; I101-I116 PolarHBondContact O-N 3.24Å; F102-I116 WeakPolarHBondContact CA-O 3.49Å; F102-I116 HydrophobicContact CD1-CB 3.74Å; F102-I116 HydrophobicContact CD1-CG1 4.27Å; F102-I116 HydrophobicContact CD1-CG2 3.64Å; F102-I116 HydrophobicContact CE1-CB 3.94Å; F102-I116 HydrophobicContact CE1-CG1 4.02Å; F102-I116 HydrophobicContact CE1-CG2 3.73Å; F102-I116 HydrophobicContact CG-CB 4.18Å; F102-I116 HydrophobicContact CZ-CG1 4.17Å; E103-I116 PolarHBondContact N-O 3.46Å; I116-Y118 PolarHBondContact O-N 3.3Å; I116-L126 HydrophobicContact CG2-CD2 4.46Å; I116-P127 HydrophobicContact CG2-CG 4.05Å; I116-I130 HydrophobicContact CD1-CD1 3.8Å; I116-I130 HydrophobicContact CD1-CG1 4.11Å; I116-I130 HydrophobicContact CG1-CD1 4.09Å; I116-I130 HydrophobicContact CG1-CG1 4.41Å
117	F	98.4	Very high	96.1	Very high	78 Å²	78	52.2 Å²	52.2	34%	0.342	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	126	170.3	177.5	-100.6	0	0	0	108.6	E103 Y104 K106 F115 D119	E103-F117 WeakPolarHBondContact O-CA 3.2Å; Y104-F117 HydrophobicContact CD2-CE2 4.13Å; Y104-F117 HydrophobicContact CD2-CZ 4.03Å; Y104-F117 HydrophobicContact CE2-CE2 4.38Å; Y104-F117 HydrophobicContact CE2-CZ 4.01Å; Y104-F117 VanDerWaalsContact O-CE2 3.27Å; Y104-F117 WeakPolarHBondContact O-CE2 3.29Å; K106-F117 HydrophobicContact CD-CD2 4.49Å; K106-F117 HydrophobicContact CD-CE2 4.37Å; K106-F117 VanDerWaalsContact CE-CE2 3.45Å; K106-F117 HydrophobicContact CG-CD2 3.85Å; K106-F117 HydrophobicContact CG-CE2 3.94Å; F115-F117 HydrophobicContact CE1-CB 3.98Å; F115-F117 HydrophobicContact CZ-CB 4Å; F115-F117 HydrophobicContact CZ-CD2 4.36Å; F117-D119 HydrophobicContact CE1-CB 4.45Å
118	Y	98.3	Very high	96.1	Very high	3 Å²	3	56.6 Å²	56.6	1%	0.012	30%	0.301	C	S	.	.			trans	-136.1	124.4	-174.9	168.8	-112.8	0	0	0	110.3	V80 F102 E103 Y104 I116 Y120 L126 T156	V80-Y118 HydrophobicContact CG1-CD1 4.03Å; V80-Y118 HydrophobicContact CG1-CE1 3.5Å; F102-Y118 HydrophobicContact CB-CD1 4.23Å; F102-Y118 HydrophobicContact CB-CG 4Å; E103-Y118 CarbonylContact C-O 3.51Å; E103-Y118 PolarHBondContact O-N 3.04Å; Y104-Y118 WeakPolarHBondContact CA-O 3.15Å; Y104-Y118 WeakPolarHBondContact CB-O 3.36Å; Y104-Y118 PolarHBondContact N-O 2.92Å; I116-Y118 PolarHBondContact O-N 3.3Å; Y118-Y120 WeakPolarHBondContact OH-CB 3.48Å; Y118-L126 HydrophobicContact CD2-CD2 4.21Å; Y118-T156 HydrophobicContact CD2-CG2 4.23Å; Y118-T156 HydrophobicContact CE2-CG2 3.54Å; Y118-T156 VanDerWaalsContact CE2-OG1 3.32Å; Y118-T156 WeakPolarHBondContact CE2-OG1 3.26Å; Y118-T156 PolarHBondContact OH-OG1 2.94Å
119	D	98.1	Very high	96.1	Very high	31 Å²	31	62.7 Å²	62.7	17%	0.166	32%	0.324	C	S	.	.			trans	-117.8	114.1	171	176.8	6.7	0	0	0	108.1	Y104 F117 N121 N122	Y104-D119 HydrophobicContact CD2-CB 3.95Å; Y104-D119 HydrophobicContact CE2-CB 4.13Å; F117-D119 HydrophobicContact CE1-CB 4.45Å; D119-N121 PolarHBondContact O-N 3.29Å; D119-N121 VanDerWaalsContact OD1-CB 3.31Å; D119-N121 WeakPolarHBondContact OD1-CB 3.25Å; D119-N121 PolarHBondContact OD1-N 3.38Å; D119-N121 PolarHBondContact OD1-ND2 3.4Å; D119-N122 CarbonylContact O-C 3.48Å; D119-N122 WeakPolarHBondContact O-CA 3.45Å; D119-N122 PolarHBondContact O-N 3.14Å; D119-N122 PolarHBondContact OD2-ND2 3.36Å
120	Y	97	Very high	96.2	Very high	45 Å²	45	60.3 Å²	60.3	18%	0.176	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.6	179.8	79.1	-87.9	0	0	0	112.4	Y118 N122 P123 P143 Y144 C149 K152	Y118-Y120 WeakPolarHBondContact OH-CB 3.48Å; Y120-N122 PolarHBondContact O-N 3.26Å; Y120-P123 WeakPolarHBondContact O-CD 3.43Å; Y120-P143 HydrophobicContact CD1-CG 4.09Å; Y120-P143 HydrophobicContact CE1-CG 4.22Å; Y120-Y144 AromaticContact CE1-CD2 3.95Å; Y120-Y144 HydrophobicContact CE1-CD2 3.95Å; Y120-Y144 AromaticContact CE1-CE2 3.71Å; Y120-Y144 HydrophobicContact CE1-CE2 3.71Å; Y120-Y144 AromaticContact CZ-CD2 3.88Å; Y120-Y144 AromaticContact CZ-CE2 3.91Å; Y120-Y144 WeakPolarHBondContact OH-CE2 3.43Å; Y120-C149 HydrophobicContact CD2-CB 4.5Å; Y120-C149 HydrophobicContact CE2-CB 4.22Å; Y120-K152 HydrophobicContact CD2-CB 4.16Å; Y120-K152 HydrophobicContact CD2-CD 3.91Å; Y120-K152 HydrophobicContact CE2-CD 4.17Å; Y120-K152 VanDerWaalsContact O-CB 3.29Å; Y120-K152 WeakPolarHBondContact O-CB 3.31Å; Y120-K152 WeakPolarHBondContact O-CD 3.35Å
121	N	97.2	Very high	96.4	Very high	68 Å²	68	60.1 Å²	60.1	36%	0.364	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.6	173	-65.7	-63.5	0	0	0	113.1	D119 K152	D119-N121 PolarHBondContact O-N 3.29Å; D119-N121 VanDerWaalsContact OD1-CB 3.31Å; D119-N121 WeakPolarHBondContact OD1-CB 3.25Å; D119-N121 PolarHBondContact OD1-N 3.38Å; D119-N121 PolarHBondContact OD1-ND2 3.4Å; N121-K152 PolarHBondContact OD1-NZ 3.02Å
122	N	97.8	Very high	96.7	Very high	86 Å²	86	61.8 Å²	61.8	46%	0.46	33%	0.328	S	S	.	.	S	Bend	trans	-125.9	67.5	177.1	-58.5	-74.3	0	0	0	108.5	D119 Y120 L124 D125	D119-N122 CarbonylContact O-C 3.48Å; D119-N122 WeakPolarHBondContact O-CA 3.45Å; D119-N122 PolarHBondContact O-N 3.14Å; D119-N122 PolarHBondContact OD2-ND2 3.36Å; Y120-N122 PolarHBondContact O-N 3.26Å; N122-L124 PolarHBondContact O-N 3.26Å; N122-D125 HydrophobicContact CB-CB 3.79Å; N122-D125 WeakPolarHBondContact O-CB 3.21Å; N122-D125 PolarHBondContact O-N 3.43Å
123	P	96.2	Very high	96.9	Very high	16 Å²	16	65 Å²	65	10%	0.104	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.7	-161.8	23.3	-33.9	0	0	0	114.8	Y120 K152 E155 T156	Y120-P123 WeakPolarHBondContact O-CD 3.43Å; P123-K152 VanDerWaalsContact CB-O 3.3Å; P123-K152 WeakPolarHBondContact CB-O 3.45Å; P123-E155 HydrophobicContact CB-CB 4.21Å; P123-E155 HydrophobicContact CG-CB 4.25Å; P123-E155 WeakPolarHBondContact CG-OE2 3.49Å; P123-T156 VanDerWaalsContact CB-OG1 3.22Å; P123-T156 WeakPolarHBondContact CB-OG1 3.39Å; P123-T156 PolarHBondContact O-OG1 3.18Å
124	L	97.4	Very high	97.1	Very high	96 Å²	96	59.1 Å²	59.1	50%	0.503	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	9.7	-179.9	-55.8	-177.3	0	0	0	113.3	N122 L126 Y159	N122-L124 PolarHBondContact O-N 3.26Å; L124-L126 PolarHBondContact O-N 3.2Å; L124-Y159 HydrophobicContact CD2-CD1 4.48Å; L124-Y159 HydrophobicContact CD2-CD2 4.03Å; L124-Y159 HydrophobicContact CD2-CG 3.79Å
125	D	97.8	Very high	97.3	Very high	124 Å²	124	56.9 Å²	56.9	66%	0.663	30%	0.295	S	S	*	.			trans	-77.4	66.2	170.2	-170.2	24.1	0	0	0	109.7	N122	N122-D125 HydrophobicContact CB-CB 3.79Å; N122-D125 WeakPolarHBondContact O-CB 3.21Å; N122-D125 PolarHBondContact O-N 3.43Å
126	L	97.2	Very high	97.3	Very high	26 Å²	26	57.9 Å²	57.9	14%	0.136	30%	0.301	C	S	.	.			trans	-107.8	145.2	-177.1	-59.4	178.8	0	0	0	110.1	F102 I116 Y118 L124 I130 Y159 L160	F102-L126 HydrophobicContact CD1-CD2 3.98Å; F102-L126 HydrophobicContact CE1-CD1 4.42Å; F102-L126 HydrophobicContact CE1-CD2 4.01Å; I116-L126 HydrophobicContact CG2-CD2 4.46Å; Y118-L126 HydrophobicContact CD2-CD2 4.21Å; L124-L126 PolarHBondContact O-N 3.2Å; L126-I130 HydrophobicContact CB-CB 4.37Å; L126-I130 HydrophobicContact CD1-CG2 4.16Å; L126-Y159 HydrophobicContact CD1-CD1 3.76Å; L126-Y159 HydrophobicContact CD1-CE1 3.9Å; L126-L160 HydrophobicContact CD1-CD2 4.04Å
127	P	96.2	Very high	97.3	Very high	52 Å²	52	57.9 Å²	57.9	34%	0.338	30%	0.301	S	S	.	.			trans	-57.2	145.9	175.6	-25	34.6	0	0	0	112.3	I116 R129 I130	I116-P127 HydrophobicContact CG2-CG 4.05Å; P127-R129 HydrophobicContact CB-CG 4.01Å; P127-R129 PolarHBondContact O-N 3.42Å; P127-I130 WeakPolarHBondContact O-CB 3.22Å; P127-I130 PolarHBondContact O-N 2.98Å
128	E	93.8	Very high	97.3	Very high	199 Å²	199	54.1 Å²	54.1	93%	0.93	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.4	-177.7	-65.9	-177	171.9	0	0	114.3	I130	E128-I130 PolarHBondContact O-N 2.88Å
129	R	94.8	Very high	97.3	Very high	127 Å²	127	54.1 Å²	54.1	48%	0.479	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.9	175.1	65.7	179.1	-178.6	-148.1	12.7	113.6	E113 F115 P127 A131	E113-R129 PolarHBondContact O-NH2 3.35Å; E113-R129 IonicContact OE2-CZ 3.3Å; E113-R129 VanDerWaalsContact OE2-CZ 3.3Å; E113-R129 IonicContact OE2-NH1 2.66Å; E113-R129 PolarHBondContact OE2-NH1 2.95Å; E113-R129 IonicContact OE2-NH2 3.13Å; F115-R129 PolarHBondContact O-NH2 3.42Å; P127-R129 HydrophobicContact CB-CG 4.01Å; P127-R129 PolarHBondContact O-N 3.42Å; R129-A131 PolarHBondContact O-N 3.32Å
130	I	97.4	Very high	97.4	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	28%	0.276	C	S	.	.	S	Bend	trans	-91.5	87.9	177.9	-54.4	-55.7	0	0	0	109.2	F102 I116 L126 P127 E128 F135 Y159 L160	F102-I130 HydrophobicContact CE1-CG1 4.37Å; F102-I130 HydrophobicContact CE1-CG2 4.12Å; F102-I130 HydrophobicContact CZ-CD1 4.27Å; F102-I130 HydrophobicContact CZ-CG1 4.47Å; F102-I130 HydrophobicContact CZ-CG2 4.04Å; I116-I130 HydrophobicContact CD1-CD1 3.8Å; I116-I130 HydrophobicContact CD1-CG1 4.11Å; I116-I130 HydrophobicContact CG1-CD1 4.09Å; I116-I130 HydrophobicContact CG1-CG1 4.41Å; L126-I130 HydrophobicContact CB-CB 4.37Å; L126-I130 HydrophobicContact CD1-CG2 4.16Å; P127-I130 WeakPolarHBondContact O-CB 3.22Å; P127-I130 PolarHBondContact O-N 2.98Å; E128-I130 PolarHBondContact O-N 2.88Å; I130-F135 HydrophobicContact CG2-CE2 4.17Å; I130-Y159 HydrophobicContact CG2-CE1 4.47Å; I130-Y159 PolarHBondContact O-OH 3.03Å; I130-Y159 VanDerWaalsContact O-OH 3.12Å; I130-L160 HydrophobicContact CG2-CD2 3.45Å; I130-L160 VanDerWaalsContact CG2-CD2 3.45Å
131	A	96.6	Very high	97.4	Very high	55 Å²	55	51.5 Å²	51.5	46%	0.455	27%	0.273	S	S	.	.			trans	-67.6	146.3	175.3	0	0	0	0	0	111.7	R129 S134	R129-A131 PolarHBondContact O-N 3.32Å; A131-S134 WeakPolarHBondContact O-CB 3.25Å; A131-S134 PolarHBondContact O-OG 2.92Å
132	A	97.9	Very high	97.4	Very high	46 Å²	46	48.4 Å²	48.4	38%	0.38	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	144.9	170.9	0	0	0	0	0	111.3	S134 Y159	A132-S134 PolarHBondContact O-N 3.16Å; A132-Y159 CarbonylContact C-O 3.56Å; A132-Y159 WeakPolarHBondContact CA-O 3.37Å; A132-Y159 HydrophobicContact CB-CD2 4.07Å; A132-Y159 HydrophobicContact CB-CE1 4.36Å; A132-Y159 HydrophobicContact CB-CE2 3.6Å; A132-Y159 PolarHBondContact N-OH 2.99Å
133	H	98.2	Very high	97.2	Very high	110 Å²	110	45.8 Å²	45.8	51%	0.509	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	43.7	177	-50.7	-62.7	0	0	0	112.9	K158 Y159 L160 T161 R162	H133-K158 PolarHBondContact CE1-O 3.45Å; H133-K158 PolarHBondContact ND1-O 2.61Å; H133-Y159 PolarHBondContact N-O 2.83Å; H133-L160 CarbonylContact C-O 3.53Å; H133-L160 WeakPolarHBondContact CA-O 3.49Å; H133-T161 PolarHBondContact ND1-O 3.42Å; H133-R162 HydrophobicContact CB-CG 4.49Å; H133-R162 WeakPolarHBondContact O-CG 3.46Å; H133-R162 PolarHBondContact O-NE 3.34Å; H133-R162 VanDerWaalsContact O-NE 3.1Å
134	S	97.8	Very high	97	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.063	26%	0.256	C	S	.	.			trans	-106.2	-5	-172.8	76.8	0	0	0	0	113.6	R76 A131 A132 L160	R76-S134 WeakPolarHBondContact CD-O 3.25Å; R76-S134 PolarHBondContact NH1-O 2.93Å; R76-S134 PolarHBondContact NH1-OG 3.41Å; A131-S134 WeakPolarHBondContact O-CB 3.25Å; A131-S134 PolarHBondContact O-OG 2.92Å; A132-S134 PolarHBondContact O-N 3.16Å; S134-L160 PolarHBondContact N-O 3.27Å; S134-L160 VanDerWaalsContact N-O 3.09Å
135	F	98.5	Very high	96.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.5	178.1	-66.3	-88.3	0	0	0	111.3	R76 I77 A78 Y100 F102 I130 I137 V138 L160 T161 R162	R76-F135 HydrophobicContact CB-CD1 3.96Å; I77-F135 VanDerWaalsContact C-CD1 3.47Å; A78-F135 HydrophobicContact CB-CB 4.17Å; A78-F135 HydrophobicContact CB-CD1 3.53Å; A78-F135 HydrophobicContact CB-CD2 4.1Å; A78-F135 HydrophobicContact CB-CE1 3.81Å; A78-F135 HydrophobicContact CB-CE2 4.39Å; A78-F135 HydrophobicContact CB-CG 3.66Å; A78-F135 HydrophobicContact CB-CZ 4.24Å; Y100-F135 AromaticContact CD2-CE1 3.52Å; Y100-F135 HydrophobicContact CD2-CE1 3.52Å; Y100-F135 AromaticContact CD2-CZ 3.95Å; Y100-F135 HydrophobicContact CD2-CZ 3.95Å; Y100-F135 HydrophobicContact CE2-CE1 4.27Å; Y100-F135 AromaticContact CG-CE1 3.92Å; Y100-F135 HydrophobicContact CG-CE1 3.92Å; Y100-F135 HydrophobicContact CG-CZ 4Å; F102-F135 HydrophobicContact CE2-CE2 4.28Å; F102-F135 AromaticContact CE2-CZ 3.95Å; F102-F135 HydrophobicContact CE2-CZ 3.95Å; F102-F135 AromaticContact CZ-CE2 3.97Å; F102-F135 HydrophobicContact CZ-CE2 3.97Å; F102-F135 AromaticContact CZ-CZ 3.91Å; F102-F135 HydrophobicContact CZ-CZ 3.91Å; I130-F135 HydrophobicContact CG2-CE2 4.17Å; F135-I137 VanDerWaalsContact C-N 3.3Å; F135-V138 HydrophobicContact CB-CG2 4.22Å; F135-L160 HydrophobicContact CD2-CB 3.98Å; F135-L160 HydrophobicContact CD2-CD2 3.86Å; F135-L160 HydrophobicContact CD2-CG 4.44Å; F135-L160 HydrophobicContact CE2-CD2 3.72Å; F135-L160 PolarHBondContact N-O 3.48Å; F135-T161 CarbonylContact O-C 3.52Å; F135-R162 WeakPolarHBondContact O-CB 3.43Å; F135-R162 WeakPolarHBondContact O-CG 3.17Å; F135-R162 PolarHBondContact O-N 3.38Å
136	D	98.1	Very high	96.7	Very high	42 Å²	42	43 Å²	43	23%	0.225	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-30	-179.2	-58.4	-66.5	0	0	0	111.5	V71 R76 R162 K164	V71-D136 HydrophobicContact CG2-CB 3.54Å; R76-D136 PolarHBondContact N-OD2 2.96Å; R76-D136 PolarHBondContact O-N 2.8Å; D136-R162 WeakPolarHBondContact OD1-CD 2.95Å; D136-R162 IonicContact OD1-CZ 3.66Å; D136-R162 IonicContact OD1-NE 3.82Å; D136-R162 IonicContact OD1-NH1 2.75Å; D136-R162 PolarHBondContact OD1-NH1 3.47Å; D136-R162 IonicContact OD2-NH1 3.66Å; D136-K164 WeakPolarHBondContact O-CB 3.4Å
137	I	98.4	Very high	96.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	140.8	168.1	-171.4	167	0	0	0	111.4	A67 A70 V71 R76 I77 A78 F135 K164 L166 Y206	A67-I137 HydrophobicContact CB-CD1 4.47Å; A67-I137 HydrophobicContact CB-CG2 4.46Å; A70-I137 HydrophobicContact CB-CD1 3.63Å; V71-I137 HydrophobicContact CB-CG2 4.2Å; V71-I137 HydrophobicContact CG2-CG2 4.05Å; R76-I137 PolarHBondContact O-N 2.91Å; I77-I137 HydrophobicContact CB-CG2 4.24Å; I77-I137 HydrophobicContact CG1-CG2 3.81Å; I77-I137 HydrophobicContact CG2-CG2 4.1Å; A78-I137 PolarHBondContact N-O 3.16Å; F135-I137 VanDerWaalsContact C-N 3.3Å; I137-K164 WeakPolarHBondContact CA-O 3.35Å; I137-K164 HydrophobicContact CB-CB 4.09Å; I137-K164 HydrophobicContact CD1-CB 4.34Å; I137-K164 HydrophobicContact CG1-CB 3.96Å; I137-L166 HydrophobicContact CD1-CB 4.32Å; I137-Y206 HydrophobicContact CD1-CE1 3.97Å
138	V	98.9	Very high	96.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.8	169.3	-179	0	0	0	0	108.7	A78 V80 F135 I157 L160 K164 I165 L166	A78-V138 HydrophobicContact CB-CG1 4.41Å; A78-V138 HydrophobicContact CB-CG2 4.21Å; V80-V138 HydrophobicContact CG2-CG1 3.85Å; F135-V138 HydrophobicContact CB-CG2 4.22Å; V138-I157 HydrophobicContact CB-CG2 4.31Å; V138-I157 HydrophobicContact CG1-CB 4.39Å; V138-I157 HydrophobicContact CG1-CG1 3.99Å; V138-I157 HydrophobicContact CG1-CG2 4.19Å; V138-L160 HydrophobicContact CG2-CB 3.71Å; V138-K164 PolarHBondContact N-O 2.75Å; V138-K164 VanDerWaalsContact N-O 3.08Å; V138-I165 WeakPolarHBondContact O-CA 3.2Å; V138-L166 PolarHBondContact O-N 2.81Å
139	I	98.7	Very high	96.9	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125	169.9	-52.3	169.6	0	0	0	107.2	A67 I77 A78 C79 V80 A82 V85 L89 L166	A67-I139 HydrophobicContact CB-CD1 3.3Å; A67-I139 HydrophobicContact CB-CG1 4.07Å; I77-I139 HydrophobicContact CG2-CD1 3.9Å; I77-I139 HydrophobicContact CG2-CG1 4.36Å; A78-I139 PolarHBondContact O-N 3.17Å; C79-I139 CarbonylContact C-O 3.54Å; C79-I139 WeakPolarHBondContact CA-O 3.29Å; V80-I139 PolarHBondContact N-O 3.24Å; A82-I139 HydrophobicContact CB-CG2 4.28Å; V85-I139 HydrophobicContact CG1-CD1 3.65Å; V85-I139 HydrophobicContact CG1-CG2 4.45Å; L89-I139 HydrophobicContact CD1-CD1 4.26Å; I139-L166 CarbonylContact C-O 3.48Å; I139-L166 WeakPolarHBondContact CA-O 3.41Å; I139-L166 HydrophobicContact CG1-CB 4.31Å; I139-L166 HydrophobicContact CG2-CD2 4.16Å
140	A	98.8	Very high	97.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141	-178.5	0	0	0	0	0	112	V80 I157 L166 L167 C168	V80-A140 HydrophobicContact CB-CB 4.13Å; V80-A140 WeakPolarHBondContact O-CA 3.47Å; A140-I157 HydrophobicContact CB-CD1 3.57Å; A140-I157 HydrophobicContact CB-CG1 3.98Å; A140-L166 PolarHBondContact N-O 3.25Å; A140-L167 HydrophobicContact CB-CD1 3.98Å; A140-C168 PolarHBondContact O-N 3.17Å
141	D	98.2	Very high	97.1	Very high	21 Å²	21	37.7 Å²	37.7	11%	0.112	20%	0.198	C	C	.	.			trans	-136.3	81.7	172.2	-173.1	12	0	0	0	109.9	Y55 V80 S81 A82 C168	Y55-D141 VanDerWaalsContact CE2-OD2 3.28Å; Y55-D141 WeakPolarHBondContact CE2-OD2 3.3Å; Y55-D141 PolarHBondContact OH-OD1 3.37Å; Y55-D141 PolarHBondContact OH-OD2 2.91Å; V80-D141 PolarHBondContact O-N 2.88Å; S81-D141 WeakPolarHBondContact CB-O 3.48Å; A82-D141 HydrophobicContact CB-CB 4.04Å; D141-C168 WeakPolarHBondContact CA-O 3.48Å; D141-C168 HydrophobicContact CB-CB 4.46Å
142	P	97	Very high	97.2	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.026	19%	0.186	C	C	.	.			trans	-61.8	139.7	-173.2	-18.3	29.1	0	0	0	112	Y144 L150 T153 L167 C168	P142-Y144 VanDerWaalsContact C-N 3.27Å; P142-Y144 PolarHBondContact O-N 3.07Å; P142-Y144 VanDerWaalsContact O-N 3.16Å; P142-L150 HydrophobicContact CG-CD1 4.18Å; P142-T153 HydrophobicContact CB-CG2 4.35Å; P142-T153 HydrophobicContact CG-CG2 3.97Å; P142-L167 HydrophobicContact CG-CD1 3.89Å; P142-C168 WeakPolarHBondContact CD-O 3.22Å
143	P	92.4	Very high	97.3	Very high	30 Å²	30	35 Å²	35	20%	0.195	17%	0.167	C	C	.	.	S	Bend	trans	-67.7	-20.7	-170.3	25.1	-35.3	0	0	0	114.7	S51 Y120	S51-P143 WeakPolarHBondContact CB-O 3.47Å; S51-P143 PolarHBondContact OG-O 3.14Å; Y120-P143 HydrophobicContact CD1-CG 4.09Å; Y120-P143 HydrophobicContact CE1-CG 4.22Å
144	Y	93.6	Very high	97.3	Very high	86 Å²	86	29.9 Å²	29.9	34%	0.337	14%	0.144	S	C	.	.	S	Bend	trans	-130.3	137.9	-174.9	-54.7	-70.8	0	0	0	112.2	S51 Y120 P142 S146	S51-Y144 WeakPolarHBondContact OG-CD1 3.47Å; S51-Y144 WeakPolarHBondContact OG-CE1 3.38Å; Y120-Y144 AromaticContact CE1-CD2 3.95Å; Y120-Y144 HydrophobicContact CE1-CD2 3.95Å; Y120-Y144 AromaticContact CE1-CE2 3.71Å; Y120-Y144 HydrophobicContact CE1-CE2 3.71Å; Y120-Y144 AromaticContact CZ-CD2 3.88Å; Y120-Y144 AromaticContact CZ-CE2 3.91Å; Y120-Y144 WeakPolarHBondContact OH-CE2 3.43Å; P142-Y144 VanDerWaalsContact C-N 3.27Å; P142-Y144 PolarHBondContact O-N 3.07Å; P142-Y144 VanDerWaalsContact O-N 3.16Å; Y144-S146 PolarHBondContact O-N 3.22Å
145	L	93.6	Very high	97.3	Very high	48 Å²	48	33.5 Å²	33.5	25%	0.251	16%	0.16	S	C	.	.	S	Bend	trans	-80.8	61.2	174.2	-55.6	-173.5	0	0	0	111	I172 M173 N198 F200	L145-I172 HydrophobicContact CB-CG2 4.46Å; L145-I172 HydrophobicContact CD1-CG2 4.48Å; L145-M173 HydrophobicContact CD2-CG 4.45Å; L145-N198 HydrophobicContact CD1-CB 3.7Å; L145-N198 WeakPolarHBondContact CD1-ND2 3.32Å; L145-F200 HydrophobicContact CD2-CE1 4.39Å
146	S	95.4	Very high	97.3	Very high	45 Å²	45	33.5 Å²	33.5	32%	0.315	16%	0.16	S	C	.	.	S	Bend	trans	-132.6	145.5	177.4	67	0	0	0	0	110.4	Y144 E148 C149 L150	Y144-S146 PolarHBondContact O-N 3.22Å; S146-E148 PolarHBondContact O-N 2.79Å; S146-C149 PolarHBondContact O-N 3.24Å; S146-C149 WeakPolarHBondContact OG-CB 3.25Å; S146-C149 PolarHBondContact OG-N 3.43Å; S146-L150 PolarHBondContact O-N 3.23Å
147	E	95.5	Very high	97.4	Very high	96 Å²	96	31.5 Å²	31.5	45%	0.449	15%	0.149	S	C	.	.	H	α-helix	trans	-58.9	-38	178.6	-173.1	-173	156.6	0	0	111.8	L150 R151 Q176	E147-L150 PolarHBondContact O-N 2.88Å; E147-R151 WeakPolarHBondContact O-CB 3.48Å; E147-R151 PolarHBondContact O-N 2.93Å; E147-R151 IonicContact OE1-CZ 2.67Å; E147-R151 IonicContact OE1-NH2 3.99Å; E147-R151 PolarHBondContact OE1-NH2 3.24Å; E147-R151 IonicContact OE2-NH2 3.74Å; E147-Q176 HydrophobicContact CG-CG 4.01Å
148	E	97.3	Very high	97.4	Very high	98 Å²	98	36.2 Å²	36.2	46%	0.458	17%	0.17	S	C	.	.	H	α-helix	trans	-62	-46.9	177	-170	-161.9	155.3	0	0	112	S146 R151 K152	S146-E148 PolarHBondContact O-N 2.79Å; E148-R151 PolarHBondContact O-N 2.66Å; E148-K152 HydrophobicContact CG-CD 4.25Å; E148-K152 WeakPolarHBondContact O-CG 3.33Å; E148-K152 PolarHBondContact O-N 2.87Å; E148-K152 VanDerWaalsContact OE1-CE 3.29Å; E148-K152 WeakPolarHBondContact OE1-CE 3.44Å; E148-K152 IonicContact OE1-NZ 3.62Å; E148-K152 PolarHBondContact OE1-NZ 3.4Å
149	C	97.7	Very high	97.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-44.7	178.3	-177.1	0	0	0	0	111.2	Y120 S146 T153	Y120-C149 HydrophobicContact CD2-CB 4.5Å; Y120-C149 HydrophobicContact CE2-CB 4.22Å; S146-C149 PolarHBondContact O-N 3.24Å; S146-C149 WeakPolarHBondContact OG-CB 3.25Å; S146-C149 PolarHBondContact OG-N 3.43Å; C149-T153 VanDerWaalsContact O-CB 3.3Å; C149-T153 WeakPolarHBondContact O-CB 3.1Å; C149-T153 PolarHBondContact O-N 2.97Å; C149-T153 PolarHBondContact O-OG1 3.03Å
150	L	98.5	Very high	97.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-64.8	-42.2	177.5	-174.6	62.6	0	0	0	111.7	P142 S146 E147 T153 S154 L167 M173 Q176 A177 L180	P142-L150 HydrophobicContact CG-CD1 4.18Å; S146-L150 PolarHBondContact O-N 3.23Å; E147-L150 PolarHBondContact O-N 2.88Å; L150-T153 PolarHBondContact O-N 3.3Å; L150-S154 VanDerWaalsContact O-CB 3.27Å; L150-S154 WeakPolarHBondContact O-CB 3.45Å; L150-S154 PolarHBondContact O-N 3.42Å; L150-L167 HydrophobicContact CD1-CD1 4.28Å; L150-L167 HydrophobicContact CD1-CD2 3.99Å; L150-M173 HydrophobicContact CD2-CB 4.12Å; L150-M173 HydrophobicContact CD2-SD 4.4Å; L150-Q176 HydrophobicContact CD2-CB 3.76Å; L150-A177 HydrophobicContact CD2-CB 4.21Å; L150-L180 HydrophobicContact CD2-CD1 4.21Å; L150-L180 HydrophobicContact CG-CD1 4.01Å
151	R	98.6	Very high	97.4	Very high	98 Å²	98	40.3 Å²	40.3	37%	0.37	19%	0.187	S	C	.	.	H	α-helix	trans	-60.9	-51.4	178.3	-168.4	-174.7	-51.3	118.2	-2.7	111.4	E147 E148 T153 S154 E155 L180	E147-R151 WeakPolarHBondContact O-CB 3.48Å; E147-R151 PolarHBondContact O-N 2.93Å; E147-R151 IonicContact OE1-CZ 2.67Å; E147-R151 IonicContact OE1-NH2 3.99Å; E147-R151 PolarHBondContact OE1-NH2 3.24Å; E147-R151 IonicContact OE2-NH2 3.74Å; E148-R151 PolarHBondContact O-N 2.66Å; R151-T153 PolarHBondContact O-N 3.23Å; R151-S154 WeakPolarHBondContact O-CB 3.49Å; R151-S154 PolarHBondContact O-N 3.16Å; R151-S154 VanDerWaalsContact O-N 3.14Å; R151-S154 PolarHBondContact O-OG 2.84Å; R151-E155 PolarHBondContact O-N 3.23Å; R151-L180 HydrophobicContact CB-CD1 4.24Å; R151-L180 HydrophobicContact CG-CD2 4.22Å
152	K	98.6	Very high	97.4	Very high	44 Å²	44	46.3 Å²	46.3	19%	0.191	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-43.4	177.9	-71.2	174	165.7	176.4	0	111.7	Y120 N121 P123 E148 S154 E155 T156	Y120-K152 HydrophobicContact CD2-CB 4.16Å; Y120-K152 HydrophobicContact CD2-CD 3.91Å; Y120-K152 HydrophobicContact CE2-CD 4.17Å; Y120-K152 VanDerWaalsContact O-CB 3.29Å; Y120-K152 WeakPolarHBondContact O-CB 3.31Å; Y120-K152 WeakPolarHBondContact O-CD 3.35Å; N121-K152 PolarHBondContact OD1-NZ 3.02Å; P123-K152 VanDerWaalsContact CB-O 3.3Å; P123-K152 WeakPolarHBondContact CB-O 3.45Å; E148-K152 HydrophobicContact CG-CD 4.25Å; E148-K152 WeakPolarHBondContact O-CG 3.33Å; E148-K152 PolarHBondContact O-N 2.87Å; E148-K152 VanDerWaalsContact OE1-CE 3.29Å; E148-K152 WeakPolarHBondContact OE1-CE 3.44Å; E148-K152 IonicContact OE1-NZ 3.62Å; E148-K152 PolarHBondContact OE1-NZ 3.4Å; K152-S154 PolarHBondContact O-N 3.14Å; K152-E155 WeakPolarHBondContact O-CB 3.47Å; K152-E155 PolarHBondContact O-N 2.6Å; K152-E155 VanDerWaalsContact O-N 3.14Å; K152-T156 PolarHBondContact O-N 3.01Å
153	T	98.7	Very high	97.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-32.7	176.1	-53.6	0	0	0	0	111.8	V80 P142 C149 L150 R151 E155 T156 I157	V80-T153 HydrophobicContact CG1-CG2 4.17Å; P142-T153 HydrophobicContact CB-CG2 4.35Å; P142-T153 HydrophobicContact CG-CG2 3.97Å; C149-T153 VanDerWaalsContact O-CB 3.3Å; C149-T153 WeakPolarHBondContact O-CB 3.1Å; C149-T153 PolarHBondContact O-N 2.97Å; C149-T153 PolarHBondContact O-OG1 3.03Å; L150-T153 PolarHBondContact O-N 3.3Å; R151-T153 PolarHBondContact O-N 3.23Å; T153-E155 VanDerWaalsContact C-N 3.29Å; T153-E155 PolarHBondContact O-N 3.25Å; T153-T156 WeakPolarHBondContact O-CB 3.4Å; T153-T156 PolarHBondContact O-N 2.92Å; T153-I157 HydrophobicContact CG2-CD1 4.05Å; T153-I157 HydrophobicContact CG2-CG1 4.33Å; T153-I157 VanDerWaalsContact O-CG1 3.32Å; T153-I157 WeakPolarHBondContact O-CG1 2.99Å; T153-I157 PolarHBondContact O-N 3.33Å
154	S	98.7	Very high	97.6	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-64.7	-31.2	175.8	83.1	0	0	0	0	112.9	L150 R151 K152 I157 K158	L150-S154 VanDerWaalsContact O-CB 3.27Å; L150-S154 WeakPolarHBondContact O-CB 3.45Å; L150-S154 PolarHBondContact O-N 3.42Å; R151-S154 WeakPolarHBondContact O-CB 3.49Å; R151-S154 PolarHBondContact O-N 3.16Å; R151-S154 VanDerWaalsContact O-N 3.14Å; R151-S154 PolarHBondContact O-OG 2.84Å; K152-S154 PolarHBondContact O-N 3.14Å; S154-I157 PolarHBondContact O-N 2.93Å; S154-K158 WeakPolarHBondContact O-CB 3.42Å; S154-K158 VanDerWaalsContact O-CG 3.22Å; S154-K158 WeakPolarHBondContact O-CG 3.48Å; S154-K158 PolarHBondContact O-N 3.46Å
155	E	98.8	Very high	97.8	Very high	85 Å²	85	46.5 Å²	46.5	40%	0.397	22%	0.218	S	C	.	.	H	α-helix	trans	-63.2	-47.2	172.9	-64	173.8	-145.7	0	0	110.3	P123 R151 K152 T153 K158 Y159	P123-E155 HydrophobicContact CB-CB 4.21Å; P123-E155 HydrophobicContact CG-CB 4.25Å; P123-E155 WeakPolarHBondContact CG-OE2 3.49Å; R151-E155 PolarHBondContact O-N 3.23Å; K152-E155 WeakPolarHBondContact O-CB 3.47Å; K152-E155 PolarHBondContact O-N 2.6Å; K152-E155 VanDerWaalsContact O-N 3.14Å; T153-E155 VanDerWaalsContact C-N 3.29Å; T153-E155 PolarHBondContact O-N 3.25Å; E155-K158 PolarHBondContact O-N 2.91Å; E155-Y159 WeakPolarHBondContact O-CB 3.43Å; E155-Y159 PolarHBondContact O-N 3.22Å
156	T	98.8	Very high	98.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.2	-49.6	174.5	-43.7	0	0	0	0	111.3	Y118 P123 K152 T153 K158 Y159 L160	Y118-T156 HydrophobicContact CD2-CG2 4.23Å; Y118-T156 HydrophobicContact CE2-CG2 3.54Å; Y118-T156 VanDerWaalsContact CE2-OG1 3.32Å; Y118-T156 WeakPolarHBondContact CE2-OG1 3.26Å; Y118-T156 PolarHBondContact OH-OG1 2.94Å; P123-T156 VanDerWaalsContact CB-OG1 3.22Å; P123-T156 WeakPolarHBondContact CB-OG1 3.39Å; P123-T156 PolarHBondContact O-OG1 3.18Å; K152-T156 PolarHBondContact O-N 3.01Å; T153-T156 WeakPolarHBondContact O-CB 3.4Å; T153-T156 PolarHBondContact O-N 2.92Å; T156-K158 VanDerWaalsContact C-N 3.34Å; T156-K158 PolarHBondContact O-N 3.33Å; T156-Y159 PolarHBondContact O-N 3.41Å; T156-L160 HydrophobicContact CG2-CD1 3.85Å; T156-L160 HydrophobicContact CG2-CG 4.35Å; T156-L160 VanDerWaalsContact O-CG 3.28Å; T156-L160 WeakPolarHBondContact O-CG 3.04Å; T156-L160 PolarHBondContact O-N 3.26Å
157	I	98.8	Very high	98.2	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.5	-48.1	-179.6	-68.2	164.8	0	0	0	110.4	V138 A140 T153 S154 Y159 L160 T161 I165 L167 L181	V138-I157 HydrophobicContact CB-CG2 4.31Å; V138-I157 HydrophobicContact CG1-CB 4.39Å; V138-I157 HydrophobicContact CG1-CG1 3.99Å; V138-I157 HydrophobicContact CG1-CG2 4.19Å; A140-I157 HydrophobicContact CB-CD1 3.57Å; A140-I157 HydrophobicContact CB-CG1 3.98Å; T153-I157 HydrophobicContact CG2-CD1 4.05Å; T153-I157 HydrophobicContact CG2-CG1 4.33Å; T153-I157 VanDerWaalsContact O-CG1 3.32Å; T153-I157 WeakPolarHBondContact O-CG1 2.99Å; T153-I157 PolarHBondContact O-N 3.33Å; S154-I157 PolarHBondContact O-N 2.93Å; I157-Y159 VanDerWaalsContact C-N 3.33Å; I157-Y159 PolarHBondContact O-N 2.79Å; I157-L160 PolarHBondContact O-N 3.48Å; I157-T161 WeakPolarHBondContact O-CB 3.47Å; I157-T161 WeakPolarHBondContact O-CG2 3.38Å; I157-T161 PolarHBondContact O-N 3.38Å; I157-I165 HydrophobicContact CG2-CB 4.49Å; I157-I165 HydrophobicContact CG2-CD1 3.75Å; I157-I165 HydrophobicContact CG2-CG1 3.78Å; I157-I165 HydrophobicContact CG2-CG2 3.93Å; I157-L167 HydrophobicContact CD1-CD1 4.44Å; I157-L181 HydrophobicContact CB-CD2 4.1Å; I157-L181 HydrophobicContact CD1-CD1 3.76Å; I157-L181 HydrophobicContact CD1-CD2 4.33Å; I157-L181 HydrophobicContact CG2-CD2 3.88Å
158	K	98.8	Very high	98.4	Very high	100 Å²	100	37.5 Å²	37.5	44%	0.435	17%	0.17	S	C	.	.	H	α-helix	trans	-62.5	-39.5	178.9	-75.6	171	-179	170.9	0	112.3	H133 S154 E155 T156 L160 L180 L181	H133-K158 PolarHBondContact CE1-O 3.45Å; H133-K158 PolarHBondContact ND1-O 2.61Å; S154-K158 WeakPolarHBondContact O-CB 3.42Å; S154-K158 VanDerWaalsContact O-CG 3.22Å; S154-K158 WeakPolarHBondContact O-CG 3.48Å; S154-K158 PolarHBondContact O-N 3.46Å; E155-K158 PolarHBondContact O-N 2.91Å; T156-K158 VanDerWaalsContact C-N 3.34Å; T156-K158 PolarHBondContact O-N 3.33Å; K158-L160 VanDerWaalsContact C-N 3.35Å; K158-L180 WeakPolarHBondContact CE-O 3.43Å; K158-L180 PolarHBondContact NZ-O 3.49Å; K158-L181 HydrophobicContact CG-CD2 4.35Å
159	Y	98.8	Very high	98.4	Very high	76 Å²	76	32.9 Å²	32.9	30%	0.298	15%	0.149	S	C	.	.	H	α-helix	trans	-64.9	-39.3	176.2	180	-91.8	0	0	0	111.8	L124 L126 I130 A132 H133 E155 T156 I157	L124-Y159 HydrophobicContact CD2-CD1 4.48Å; L124-Y159 HydrophobicContact CD2-CD2 4.03Å; L124-Y159 HydrophobicContact CD2-CG 3.79Å; L126-Y159 HydrophobicContact CD1-CD1 3.76Å; L126-Y159 HydrophobicContact CD1-CE1 3.9Å; I130-Y159 HydrophobicContact CG2-CE1 4.47Å; I130-Y159 PolarHBondContact O-OH 3.03Å; I130-Y159 VanDerWaalsContact O-OH 3.12Å; A132-Y159 CarbonylContact C-O 3.56Å; A132-Y159 WeakPolarHBondContact CA-O 3.37Å; A132-Y159 HydrophobicContact CB-CD2 4.07Å; A132-Y159 HydrophobicContact CB-CE1 4.36Å; A132-Y159 HydrophobicContact CB-CE2 3.6Å; A132-Y159 PolarHBondContact N-OH 2.99Å; H133-Y159 PolarHBondContact N-O 2.83Å; E155-Y159 WeakPolarHBondContact O-CB 3.43Å; E155-Y159 PolarHBondContact O-N 3.22Å; T156-Y159 PolarHBondContact O-N 3.41Å; I157-Y159 VanDerWaalsContact C-N 3.33Å; I157-Y159 PolarHBondContact O-N 2.79Å
160	L	98.8	Very high	98.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-81.4	-42.5	-175.3	-66.4	176	0	0	0	113.7	A78 V80 F102 L126 I130 H133 S134 F135 V138 T156 I157 K158	A78-L160 HydrophobicContact CB-CD1 4.26Å; V80-L160 HydrophobicContact CG2-CD1 3.87Å; F102-L160 HydrophobicContact CD1-CD1 4.4Å; F102-L160 HydrophobicContact CD2-CD1 4.34Å; F102-L160 HydrophobicContact CE1-CD1 4.07Å; F102-L160 HydrophobicContact CE1-CD2 4.01Å; F102-L160 HydrophobicContact CE2-CD1 4.02Å; F102-L160 HydrophobicContact CZ-CD1 3.88Å; F102-L160 HydrophobicContact CZ-CD2 3.73Å; F102-L160 HydrophobicContact CZ-CG 4.5Å; L126-L160 HydrophobicContact CD1-CD2 4.04Å; I130-L160 HydrophobicContact CG2-CD2 3.45Å; I130-L160 VanDerWaalsContact CG2-CD2 3.45Å; H133-L160 CarbonylContact C-O 3.53Å; H133-L160 WeakPolarHBondContact CA-O 3.49Å; S134-L160 PolarHBondContact N-O 3.27Å; S134-L160 VanDerWaalsContact N-O 3.09Å; F135-L160 HydrophobicContact CD2-CB 3.98Å; F135-L160 HydrophobicContact CD2-CD2 3.86Å; F135-L160 HydrophobicContact CD2-CG 4.44Å; F135-L160 HydrophobicContact CE2-CD2 3.72Å; F135-L160 PolarHBondContact N-O 3.48Å; V138-L160 HydrophobicContact CG2-CB 3.71Å; T156-L160 HydrophobicContact CG2-CD1 3.85Å; T156-L160 HydrophobicContact CG2-CG 4.35Å; T156-L160 VanDerWaalsContact O-CG 3.28Å; T156-L160 WeakPolarHBondContact O-CG 3.04Å; T156-L160 PolarHBondContact O-N 3.26Å; I157-L160 PolarHBondContact O-N 3.48Å; K158-L160 VanDerWaalsContact C-N 3.35Å
161	T	98.4	Very high	98.1	Very high	12 Å²	12	34 Å²	34	7%	0.074	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	142	-167.6	-168.3	0	0	0	0	113.4	H133 F135 I157 G163 K164 I165	H133-T161 PolarHBondContact ND1-O 3.42Å; F135-T161 CarbonylContact O-C 3.52Å; I157-T161 WeakPolarHBondContact O-CB 3.47Å; I157-T161 WeakPolarHBondContact O-CG2 3.38Å; I157-T161 PolarHBondContact O-N 3.38Å; T161-G163 PolarHBondContact OG1-N 3.36Å; T161-K164 PolarHBondContact OG1-N 3.49Å; T161-K164 PolarHBondContact OG1-O 3.23Å; T161-I165 HydrophobicContact CG2-CD1 4.34Å; T161-I165 HydrophobicContact CG2-CG1 4.2Å
162	R	97.8	Very high	98	Very high	146 Å²	146	35.5 Å²	35.5	55%	0.551	17%	0.172	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	-16	164	-74	175	171.5	178	-1.2	112.9	H133 F135 D136	H133-R162 HydrophobicContact CB-CG 4.49Å; H133-R162 WeakPolarHBondContact O-CG 3.46Å; H133-R162 PolarHBondContact O-NE 3.34Å; H133-R162 VanDerWaalsContact O-NE 3.1Å; F135-R162 WeakPolarHBondContact O-CB 3.43Å; F135-R162 WeakPolarHBondContact O-CG 3.17Å; F135-R162 PolarHBondContact O-N 3.38Å; D136-R162 WeakPolarHBondContact OD1-CD 2.95Å; D136-R162 IonicContact OD1-CZ 3.66Å; D136-R162 IonicContact OD1-NE 3.82Å; D136-R162 IonicContact OD1-NH1 2.75Å; D136-R162 PolarHBondContact OD1-NH1 3.47Å; D136-R162 IonicContact OD2-NH1 3.66Å
163	G	96	Very high	98	Very high	38 Å²	38	34.2 Å²	34.2	39%	0.392	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	164.4	-37.3	177.8	0	0	0	0	0	114.4	T161 N205	T161-G163 PolarHBondContact OG1-N 3.36Å; G163-N205 PolarHBondContact O-ND2 3.43Å; G163-N205 PolarHBondContact O-OD1 3.03Å
164	K	98.5	Very high	97.9	Very high	80 Å²	80	38.2 Å²	38.2	35%	0.348	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.2	-174.7	-57.8	-176.4	-175	179.7	0	112	A70 D136 I137 V138 T161 N205 Y206	A70-K164 HydrophobicContact CB-CD 4.14Å; A70-K164 PolarHBondContact O-NZ 3.32Å; D136-K164 WeakPolarHBondContact O-CB 3.4Å; I137-K164 WeakPolarHBondContact CA-O 3.35Å; I137-K164 HydrophobicContact CB-CB 4.09Å; I137-K164 HydrophobicContact CD1-CB 4.34Å; I137-K164 HydrophobicContact CG1-CB 3.96Å; V138-K164 PolarHBondContact N-O 2.75Å; V138-K164 VanDerWaalsContact N-O 3.08Å; T161-K164 PolarHBondContact OG1-N 3.49Å; T161-K164 PolarHBondContact OG1-O 3.23Å; K164-N205 WeakPolarHBondContact CA-OD1 3.34Å; K164-Y206 HydrophobicContact CB-CD1 3.77Å; K164-Y206 HydrophobicContact CB-CE1 4.11Å; K164-Y206 HydrophobicContact CB-CG 4.38Å; K164-Y206 HydrophobicContact CD-CD1 4.39Å; K164-Y206 HydrophobicContact CD-CD2 4.49Å; K164-Y206 HydrophobicContact CD-CG 4.22Å; K164-Y206 HydrophobicContact CG-CD1 4.08Å; K164-Y206 HydrophobicContact CG-CG 4.19Å
165	I	98.8	Very high	97.9	Very high	6 Å²	6	45 Å²	45	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.5	-179	-56.6	169.6	0	0	0	108.3	V138 I157 T161 L181 V183 V204 N205 Y206	V138-I165 WeakPolarHBondContact O-CA 3.2Å; I157-I165 HydrophobicContact CG2-CB 4.49Å; I157-I165 HydrophobicContact CG2-CD1 3.75Å; I157-I165 HydrophobicContact CG2-CG1 3.78Å; I157-I165 HydrophobicContact CG2-CG2 3.93Å; T161-I165 HydrophobicContact CG2-CD1 4.34Å; T161-I165 HydrophobicContact CG2-CG1 4.2Å; I165-L181 HydrophobicContact CD1-CB 4.23Å; I165-L181 HydrophobicContact CD1-CD2 4.1Å; I165-V183 HydrophobicContact CB-CG1 4Å; I165-V183 HydrophobicContact CG2-CG1 3.82Å; I165-V204 VanDerWaalsContact O-CA 3.29Å; I165-V204 WeakPolarHBondContact O-CA 3.49Å; I165-N205 PolarHBondContact N-OD1 3.07Å; I165-N205 PolarHBondContact O-N 3.48Å; I165-Y206 WeakPolarHBondContact O-CE1 3.49Å
166	L	98.7	Very high	97.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	108.1	166.2	-166.8	169.3	0	0	0	107.2	L63 E66 I137 V138 I139 A140 V204 L210	L63-L166 HydrophobicContact CD2-CD1 4.27Å; L63-L166 HydrophobicContact CD2-CD2 3.99Å; E66-L166 HydrophobicContact CB-CD1 4.22Å; E66-L166 HydrophobicContact CG-CD1 3.95Å; I137-L166 HydrophobicContact CD1-CB 4.32Å; V138-L166 PolarHBondContact O-N 2.81Å; I139-L166 CarbonylContact C-O 3.48Å; I139-L166 WeakPolarHBondContact CA-O 3.41Å; I139-L166 HydrophobicContact CG1-CB 4.31Å; I139-L166 HydrophobicContact CG2-CD2 4.16Å; A140-L166 PolarHBondContact N-O 3.25Å; L166-V204 HydrophobicContact CB-CG1 4.38Å; L166-V204 HydrophobicContact CG-CG1 4.07Å; L166-L210 HydrophobicContact CD1-CD1 4.16Å; L166-L210 HydrophobicContact CG-CD1 4.48Å
167	L	98.8	Very high	97.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.9	178.7	178	73.1	0	0	0	109.4	A140 P142 L150 I157 T169 A177 L181 V183 C202 Y203	A140-L167 HydrophobicContact CB-CD1 3.98Å; P142-L167 HydrophobicContact CG-CD1 3.89Å; L150-L167 HydrophobicContact CD1-CD1 4.28Å; L150-L167 HydrophobicContact CD1-CD2 3.99Å; I157-L167 HydrophobicContact CD1-CD1 4.44Å; L167-T169 HydrophobicContact CD2-CG2 3.87Å; L167-T169 HydrophobicContact CG-CG2 4.11Å; L167-A177 HydrophobicContact CD2-CB 3.65Å; L167-L181 HydrophobicContact CD2-CD1 4.08Å; L167-V183 HydrophobicContact CD2-CG2 4.35Å; L167-C202 CarbonylContact O-C 3.5Å; L167-C202 WeakPolarHBondContact O-CA 3.5Å; L167-Y203 HydrophobicContact CD2-CD2 4.5Å; L167-Y203 PolarHBondContact N-O 3.38Å; L167-Y203 PolarHBondContact O-N 2.93Å
168	C	98.3	Very high	97.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.5	162.7	-62.5	0	0	0	0	108.2	Y55 A140 D141 P142 R201 C202	Y55-C168 WeakPolarHBondContact OH-CB 3.49Å; A140-C168 PolarHBondContact O-N 3.17Å; D141-C168 WeakPolarHBondContact CA-O 3.48Å; D141-C168 HydrophobicContact CB-CB 4.46Å; P142-C168 WeakPolarHBondContact CD-O 3.22Å; C168-R201 WeakPolarHBondContact CA-O 3.34Å; C168-C202 PolarHBondContact SG-SG 3.03Å
169	T	97.4	Very high	97.9	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	179	176.6	-167.2	0	0	0	0	109.7	L167 M173 F200 R201 Y203	L167-T169 HydrophobicContact CD2-CG2 3.87Å; L167-T169 HydrophobicContact CG-CG2 4.11Å; T169-M173 HydrophobicContact CG2-CB 3.78Å; T169-M173 HydrophobicContact CG2-CG 4.47Å; T169-F200 WeakPolarHBondContact O-CA 3.26Å; T169-R201 PolarHBondContact N-O 2.9Å; T169-R201 VanDerWaalsContact N-O 3.16Å; T169-R201 PolarHBondContact O-N 2.99Å; T169-Y203 HydrophobicContact CG2-CD2 4.09Å; T169-Y203 HydrophobicContact CG2-CE2 3.76Å
170	G	94.6	Very high	97.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	144.3	176.9	0	0	0	0	0	111.9	I172 M173 E199	G170-I172 PolarHBondContact O-N 2.96Å; G170-M173 WeakPolarHBondContact O-CB 3.28Å; G170-M173 PolarHBondContact O-N 3.47Å; G170-E199 CarbonylContact C-O 3.21Å; G170-E199 VanDerWaalsContact CA-O 3.28Å; G170-E199 WeakPolarHBondContact CA-O 3.29Å
171	A	96.4	Very high	97.8	Very high	25 Å²	25	46.1 Å²	46.1	21%	0.207	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-54.9	-30.8	-179.3	0	0	0	0	0	113.2	M173 E174 E199 R201 Y203	A171-M173 PolarHBondContact O-N 3.14Å; A171-M173 VanDerWaalsContact O-N 3.14Å; A171-E174 WeakPolarHBondContact O-CB 3.5Å; A171-E174 PolarHBondContact O-N 2.86Å; A171-E199 HydrophobicContact CB-CB 4.2Å; A171-E199 HydrophobicContact CB-CG 4.09Å; A171-E199 PolarHBondContact N-O 2.97Å; A171-R201 HydrophobicContact CB-CG 4.04Å; A171-Y203 WeakPolarHBondContact CA-OH 3.47Å
172	I	96.2	Very high	97.8	Very high	129 Å²	129	47.9 Å²	47.9	66%	0.662	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-62	-17.9	176.6	-165.4	164.9	0	0	0	113.8	L145 G170	L145-I172 HydrophobicContact CB-CG2 4.46Å; L145-I172 HydrophobicContact CD1-CG2 4.48Å; G170-I172 PolarHBondContact O-N 2.96Å
173	M	97.8	Very high	97.9	Very high	16 Å²	16	41 Å²	41	8%	0.079	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-92.9	4.3	-179.4	-64.6	-68.1	97.6	0	0	113.5	L145 L150 T169 G170 A171 E175 Q176 A177	L145-M173 HydrophobicContact CD2-CG 4.45Å; L150-M173 HydrophobicContact CD2-CB 4.12Å; L150-M173 HydrophobicContact CD2-SD 4.4Å; T169-M173 HydrophobicContact CG2-CB 3.78Å; T169-M173 HydrophobicContact CG2-CG 4.47Å; G170-M173 WeakPolarHBondContact O-CB 3.28Å; G170-M173 PolarHBondContact O-N 3.47Å; A171-M173 PolarHBondContact O-N 3.14Å; A171-M173 VanDerWaalsContact O-N 3.14Å; M173-E175 PolarHBondContact O-N 2.82Å; M173-Q176 PolarHBondContact O-N 3.48Å; M173-A177 VanDerWaalsContact O-CB 3.25Å; M173-A177 WeakPolarHBondContact O-CB 3.23Å; M173-A177 PolarHBondContact O-N 3.24Å
174	E	97.9	Very high	98	Very high	85 Å²	85	47 Å²	47	40%	0.397	25%	0.245	S	C	.	.	H	α-helix	trans	-54.8	-49.5	-174.1	174.4	165.8	-171.4	0	0	113.5	A171 Q176 A177 A178 Y203	A171-E174 WeakPolarHBondContact O-CB 3.5Å; A171-E174 PolarHBondContact O-N 2.86Å; E174-Q176 PolarHBondContact O-N 3.2Å; E174-A177 PolarHBondContact O-N 2.82Å; E174-A178 WeakPolarHBondContact O-CB 3.28Å; E174-A178 PolarHBondContact O-N 2.93Å; E174-Y203 HydrophobicContact CB-CE1 3.8Å; E174-Y203 HydrophobicContact CG-CE1 3.76Å
175	E	98.2	Very high	98	Very high	144 Å²	144	47 Å²	47	67%	0.673	25%	0.248	S	C	*	.	H	α-helix	trans	-62.5	-46.8	-177.5	-176.5	178.2	-164.6	0	0	111	M173 A177 A178 E179	M173-E175 PolarHBondContact O-N 2.82Å; E175-A177 PolarHBondContact O-N 3.07Å; E175-A178 PolarHBondContact O-N 2.57Å; E175-E179 PolarHBondContact O-N 3.11Å
176	Q	98.5	Very high	97.9	Very high	38 Å²	38	47 Å²	47	18%	0.178	25%	0.248	C	C	.	.	H	α-helix	trans	-68	-37.1	179.6	-65.7	70.8	29	0	0	111.3	E147 L150 M173 E174 E179 L180	E147-Q176 HydrophobicContact CG-CG 4.01Å; L150-Q176 HydrophobicContact CD2-CB 3.76Å; M173-Q176 PolarHBondContact O-N 3.48Å; E174-Q176 PolarHBondContact O-N 3.2Å; Q176-E179 PolarHBondContact O-N 3.07Å; Q176-L180 HydrophobicContact CB-CD1 4.48Å; Q176-L180 VanDerWaalsContact O-CB 3.22Å; Q176-L180 WeakPolarHBondContact O-CB 3.34Å; Q176-L180 WeakPolarHBondContact O-CD1 3.28Å; Q176-L180 WeakPolarHBondContact O-CG 3.46Å; Q176-L180 PolarHBondContact O-N 2.91Å
177	A	98.5	Very high	97.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.2	-44.7	175.5	0	0	0	0	0	111.1	L150 L167 M173 E174 E175 L181 V183	L150-A177 HydrophobicContact CD2-CB 4.21Å; L167-A177 HydrophobicContact CD2-CB 3.65Å; M173-A177 VanDerWaalsContact O-CB 3.25Å; M173-A177 WeakPolarHBondContact O-CB 3.23Å; M173-A177 PolarHBondContact O-N 3.24Å; E174-A177 PolarHBondContact O-N 2.82Å; E175-A177 PolarHBondContact O-N 3.07Å; A177-L181 WeakPolarHBondContact O-CB 3.4Å; A177-L181 PolarHBondContact O-N 3.1Å; A177-V183 HydrophobicContact CB-CG2 3.78Å; A177-V183 WeakPolarHBondContact O-CG2 3.45Å
178	A	98.5	Very high	97.6	Very high	45 Å²	45	53.4 Å²	53.4	37%	0.372	28%	0.284	S	S	.	.	H	α-helix	trans	-62.3	-45.6	175.7	0	0	0	0	0	112	E174 E175 G182 V183	E174-A178 WeakPolarHBondContact O-CB 3.28Å; E174-A178 PolarHBondContact O-N 2.93Å; E175-A178 PolarHBondContact O-N 2.57Å; A178-G182 WeakPolarHBondContact O-CA 2.94Å; A178-G182 PolarHBondContact O-N 2.89Å; A178-V183 WeakPolarHBondContact CA-O 2.92Å
179	E	98.5	Very high	97.5	Very high	155 Å²	155	56.4 Å²	56.4	72%	0.724	30%	0.302	S	S	*	.	H	α-helix	trans	-64.9	-47.3	178.9	-175.1	-180	-175.7	0	0	112.2	E175 Q176	E175-E179 PolarHBondContact O-N 3.11Å; Q176-E179 PolarHBondContact O-N 3.07Å
180	L	98.5	Very high	97.4	Very high	35 Å²	35	56.7 Å²	56.7	18%	0.183	30%	0.304	C	S	.	.	H	α-helix	trans	-76.9	-39.7	-173.3	-69.1	168.4	0	0	0	112.6	L150 R151 K158 Q176	L150-L180 HydrophobicContact CD2-CD1 4.21Å; L150-L180 HydrophobicContact CG-CD1 4.01Å; R151-L180 HydrophobicContact CB-CD1 4.24Å; R151-L180 HydrophobicContact CG-CD2 4.22Å; K158-L180 WeakPolarHBondContact CE-O 3.43Å; K158-L180 PolarHBondContact NZ-O 3.49Å; Q176-L180 HydrophobicContact CB-CD1 4.48Å; Q176-L180 VanDerWaalsContact O-CB 3.22Å; Q176-L180 WeakPolarHBondContact O-CB 3.34Å; Q176-L180 WeakPolarHBondContact O-CD1 3.28Å; Q176-L180 WeakPolarHBondContact O-CG 3.46Å; Q176-L180 PolarHBondContact O-N 2.91Å
181	L	98.5	Very high	97.5	Very high	13 Å²	13	62.5 Å²	62.5	7%	0.068	33%	0.329	C	S	.	.	H	α-helix	trans	-119.6	-7.9	-167.8	-63.3	169.8	0	0	0	113.7	I157 K158 I165 L167 A177 V183	I157-L181 HydrophobicContact CB-CD2 4.1Å; I157-L181 HydrophobicContact CD1-CD1 3.76Å; I157-L181 HydrophobicContact CD1-CD2 4.33Å; I157-L181 HydrophobicContact CG2-CD2 3.88Å; K158-L181 HydrophobicContact CG-CD2 4.35Å; I165-L181 HydrophobicContact CD1-CB 4.23Å; I165-L181 HydrophobicContact CD1-CD2 4.1Å; L167-L181 HydrophobicContact CD2-CD1 4.08Å; A177-L181 WeakPolarHBondContact O-CB 3.4Å; A177-L181 PolarHBondContact O-N 3.1Å; L181-V183 HydrophobicContact CB-CG1 3.95Å; L181-V183 HydrophobicContact CB-CG2 4.21Å; L181-V183 PolarHBondContact O-N 3.03Å
182	G	98.4	Very high	97.4	Very high	48 Å²	48	62.6 Å²	62.6	50%	0.495	33%	0.325	S	S	.	.			trans	65.7	21.1	-176.5	0	0	0	0	0	113.4	A178	A178-G182 WeakPolarHBondContact O-CA 2.94Å; A178-G182 PolarHBondContact O-N 2.89Å
183	V	98.6	Very high	97.1	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.012	32%	0.323	C	S	.	.			trans	-84.4	154.8	178.6	-63.7	0	0	0	0	111.1	I165 L167 A177 A178 L181 Y203 V204 N205	I165-V183 HydrophobicContact CB-CG1 4Å; I165-V183 HydrophobicContact CG2-CG1 3.82Å; L167-V183 HydrophobicContact CD2-CG2 4.35Å; A177-V183 HydrophobicContact CB-CG2 3.78Å; A177-V183 WeakPolarHBondContact O-CG2 3.45Å; A178-V183 WeakPolarHBondContact CA-O 2.92Å; L181-V183 HydrophobicContact CB-CG1 3.95Å; L181-V183 HydrophobicContact CB-CG2 4.21Å; L181-V183 PolarHBondContact O-N 3.03Å; V183-Y203 HydrophobicContact CG2-CG 4.36Å; V183-V204 CarbonylContact C-O 3.55Å; V183-V204 VanDerWaalsContact CA-O 3.29Å; V183-V204 WeakPolarHBondContact CA-O 3.36Å; V183-N205 HydrophobicContact CG1-CB 4.05Å
184	K	98.1	Very high	96.6	Very high	164 Å²	164	66.4 Å²	66.4	71%	0.713	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	145.4	178.2	-63.9	178.8	-177.8	173.2	0	109.8	Y203 V204	K184-Y203 CarbonylContact O-C 3.5Å; K184-Y203 WeakPolarHBondContact O-CA 3.45Å; K184-V204 PolarHBondContact N-O 3.03Å; K184-V204 PolarHBondContact O-N 3.43Å
185	M	97.9	Very high	95.9	Very high	81 Å²	81	70.5 Å²	70.5	40%	0.399	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	134.8	-179.6	-174.5	173.6	52.8	0	0	111.3	R201 C202 Y203	M185-R201 HydrophobicContact CG-CB 4.34Å; M185-R201 HydrophobicContact CG-CG 4.37Å; M185-R201 HydrophobicContact SD-CB 4.35Å; M185-R201 HydrophobicContact SD-CG 3.78Å; M185-C202 WeakPolarHBondContact CA-O 3.31Å; M185-Y203 VanDerWaalsContact CA-CD1 3.42Å; M185-Y203 HydrophobicContact CB-CD1 3.76Å; M185-Y203 HydrophobicContact CB-CE1 3.62Å; M185-Y203 HydrophobicContact CG-CD1 4.39Å; M185-Y203 HydrophobicContact CG-CE1 3.99Å
186	C	97.1	Very high	95.3	Very high	5 Å²	5	65.9 Å²	65.9	3%	0.034	35%	0.346	C	S	.	.			trans	-88.3	161.2	171.5	-62.8	0	0	0	0	112.2	C202 V204 L210 D211	C186-C202 HydrophobicContact CB-CB 4.28Å; C186-C202 PolarHBondContact N-O 3.39Å; C186-V204 WeakPolarHBondContact SG-CG2 3.37Å; C186-L210 HydrophobicContact CB-CB 4.02Å; C186-D211 WeakPolarHBondContact CA-OD1 3.45Å; C186-D211 WeakPolarHBondContact CB-OD1 3.43Å
187	T	95.1	Very high	94.7	Very high	95 Å²	95	69.3 Å²	69.3	58%	0.583	38%	0.381	S	S	*	.	S	Bend	trans	-74.2	-25.6	172.7	68.4	0	0	0	0	113.1	V189 L210 D211	T187-V189 PolarHBondContact O-N 3.21Å; T187-L210 PolarHBondContact OG1-O 3.1Å; T187-D211 PolarHBondContact N-OD1 3.45Å; T187-D211 WeakPolarHBondContact OG1-CA 3.45Å
188	F	96.4	Very high	94.2	Very high	39 Å²	39	73.9 Å²	73.9	17%	0.171	41%	0.406	C	S	.	.			trans	-63	129.8	174.1	178.2	-100.5	0	0	0	112.1	T59 R62 L63 P190 C202 L210	T59-F188 HydrophobicContact CG2-CE1 4.1Å; T59-F188 HydrophobicContact CG2-CZ 4.11Å; R62-F188 HydrophobicContact CB-CE2 4.08Å; R62-F188 HydrophobicContact CB-CZ 4.02Å; R62-F188 HydrophobicContact CG-CD2 4.09Å; R62-F188 HydrophobicContact CG-CE2 3.74Å; R62-F188 HydrophobicContact CG-CZ 4.02Å; L63-F188 HydrophobicContact CD2-CD1 4.4Å; L63-F188 HydrophobicContact CD2-CE1 4.07Å; L63-F188 HydrophobicContact CG-CE1 4.41Å; F188-P190 HydrophobicContact CE1-CB 4.18Å; F188-C202 HydrophobicContact CD1-CB 4.5Å; F188-L210 HydrophobicContact CB-CB 3.91Å; F188-L210 HydrophobicContact CB-CD2 4.05Å; F188-L210 HydrophobicContact CB-CG 4.47Å; F188-L210 WeakPolarHBondContact CB-O 3.4Å; F188-L210 HydrophobicContact CD1-CD2 4.02Å; F188-L210 HydrophobicContact CG-CD2 3.94Å; F188-L210 PolarHBondContact N-O 2.98Å
189	V	96.4	Very high	93.9	Very high	65 Å²	65	77.1 Å²	77.1	39%	0.394	41%	0.413	S	S	.	.			trans	-107.4	112.1	179.1	178.7	0	0	0	0	109.9	T187 R201	T187-V189 PolarHBondContact O-N 3.21Å; V189-R201 VanDerWaalsContact CG1-NH1 3.33Å
190	P	96.1	Very high	93.8	Very high	7 Å²	7	70.8 Å²	70.8	5%	0.045	38%	0.383	C	S	.	.			trans	-70	142.2	179.3	29.8	-34.2	0	0	0	111	Y55 T59 F188 F200	Y55-P190 HydrophobicContact CD1-CB 4.28Å; Y55-P190 HydrophobicContact CE1-CB 3.84Å; T59-P190 HydrophobicContact CG2-CB 3.59Å; F188-P190 HydrophobicContact CE1-CB 4.18Å; P190-F200 HydrophobicContact CG-CB 3.95Å
191	K	95.9	Very high	93.8	Very high	121 Å²	121	71.5 Å²	71.5	53%	0.526	38%	0.383	S	S	.	.			trans	-117.6	146.6	176.4	-63.5	177.5	-173.6	165.8	0	110.4	Y55 S56 T59	Y55-K191 WeakPolarHBondContact CA-O 3.3Å; S56-K191 PolarHBondContact N-O 3.06Å; S56-K191 PolarHBondContact OG-O 3.24Å; T59-K191 WeakPolarHBondContact CB-O 3.36Å; T59-K191 PolarHBondContact OG1-N 3.06Å; T59-K191 PolarHBondContact OG1-O 3.33Å; T59-K191 VanDerWaalsContact OG1-O 3.07Å
192	H	94.3	Very high	93.7	Very high	27 Å²	27	70.9 Å²	70.9	13%	0.125	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-103.5	158.4	175.7	-63.3	82.5	0	0	0	110.3	W54 Y55 R194 L196 F200	W54-H192 CarbonylContact O-C 3.54Å; W54-H192 VanDerWaalsContact O-CA 3.31Å; W54-H192 WeakPolarHBondContact O-CA 2.87Å; W54-H192 WeakPolarHBondContact O-CB 3.38Å; Y55-H192 AromaticContact CD1-CD2 3.92Å; Y55-H192 AromaticContact CD1-NE2 3.74Å; Y55-H192 AromaticContact CE1-CE1 3.65Å; Y55-H192 AromaticContact CE1-NE2 3.34Å; Y55-H192 VanDerWaalsContact CE1-NE2 3.34Å; Y55-H192 WeakPolarHBondContact CE1-NE2 3.4Å; H192-R194 VanDerWaalsContact CB-O 3.3Å; H192-R194 WeakPolarHBondContact CB-O 3.4Å; H192-R194 PolarHBondContact O-N 3.19Å; H192-L196 HydrophobicContact CB-CD1 4.2Å; H192-L196 HydrophobicContact CB-CG 4.29Å; H192-F200 AromaticContact CE1-CD1 3.88Å; H192-F200 AromaticContact CE1-CD2 3.75Å; H192-F200 AromaticContact CE1-CG 3.61Å
193	T	90.2	Very high	93.7	Very high	101 Å²	101	68.6 Å²	68.6	62%	0.62	36%	0.357	S	S	*	.	S	Bend	trans	-63.6	-28.1	175.3	-59.5	0	0	0	0	111.1	W54 Y55	W54-T193 PolarHBondContact O-N 3.33Å; W54-T193 PolarHBondContact O-OG1 2.85Å; Y55-T193 PolarHBondContact O-OG1 2.95Å; Y55-T193 VanDerWaalsContact O-OG1 3.14Å
194	R	87.2	Confident	93.7	Very high	124 Å²	124	68.8 Å²	68.8	47%	0.468	36%	0.358	S	S	.	.	S	Bend	trans	-112	151.4	174.9	-59.4	-176.6	-179.5	-173	2.4	110.2	E46 W48 H192 L196	E46-R194 VanDerWaalsContact OE2-CD 3.23Å; E46-R194 WeakPolarHBondContact OE2-CD 3.37Å; E46-R194 IonicContact OE2-CZ 3.17Å; E46-R194 IonicContact OE2-NE 2.57Å; E46-R194 PolarHBondContact OE2-NE 3.42Å; E46-R194 IonicContact OE2-NH1 3.03Å; E46-R194 PolarHBondContact OE2-NH1 3.12Å; E46-R194 IonicContact OE2-NH2 3.5Å; W48-R194 VanDerWaalsContact CE2-NH1 3.31Å; H192-R194 VanDerWaalsContact CB-O 3.3Å; H192-R194 WeakPolarHBondContact CB-O 3.4Å; H192-R194 PolarHBondContact O-N 3.19Å; R194-L196 PolarHBondContact O-N 3.36Å
195	N	83.1	Confident	93.7	Very high	172 Å²	172	64 Å²	64	92%	0.92	34%	0.34	S	S	*	.			trans	-72.5	120.4	172.7	-74.3	-23.1	0	0	0	109.6
196	L	86.3	Confident	93.7	Very high	47 Å²	47	61.7 Å²	61.7	25%	0.246	33%	0.327	C	S	.	.			trans	-100.4	146.1	172	-54.1	-177.1	0	0	0	109.1	F53 H192 R194 N198 F200	F53-L196 HydrophobicContact CB-CD1 3.86Å; F53-L196 HydrophobicContact CB-CD2 4.27Å; F53-L196 HydrophobicContact CD1-CD1 4.38Å; F53-L196 HydrophobicContact CD1-CD2 3.41Å; F53-L196 VanDerWaalsContact CD1-CD2 3.41Å; F53-L196 HydrophobicContact CD2-CD1 4.26Å; F53-L196 HydrophobicContact CE1-CD2 3.8Å; F53-L196 HydrophobicContact CG-CD1 3.9Å; F53-L196 HydrophobicContact CG-CD2 3.81Å; H192-L196 HydrophobicContact CB-CD1 4.2Å; H192-L196 HydrophobicContact CB-CG 4.29Å; R194-L196 PolarHBondContact O-N 3.36Å; L196-N198 VanDerWaalsContact C-N 3.3Å; L196-F200 HydrophobicContact CB-CE2 4.31Å; L196-F200 HydrophobicContact CD1-CD2 4.18Å; L196-F200 HydrophobicContact CD1-CE2 3.52Å; L196-F200 HydrophobicContact CD1-CZ 4.02Å
197	A	84.4	Confident	93.6	Very high	110 Å²	110	69.7 Å²	69.7	91%	0.909	37%	0.369	S	S	*	.	S	Bend	trans	-71.1	-30	177.2	0	0	0	0	0	112.3
198	N	88.8	Confident	93.5	Very high	96 Å²	96	65.8 Å²	65.8	51%	0.513	35%	0.346	S	S	.	.	S	Bend	trans	-81.2	140.9	179.4	-61.1	-42.6	0	0	0	110.4	L145 L196 F200	L145-N198 HydrophobicContact CD1-CB 3.7Å; L145-N198 WeakPolarHBondContact CD1-ND2 3.32Å; L196-N198 VanDerWaalsContact C-N 3.3Å; N198-F200 HydrophobicContact CB-CD2 4.41Å; N198-F200 HydrophobicContact CB-CE2 3.92Å; N198-F200 WeakPolarHBondContact O-CD2 3.23Å
199	E	93	Very high	93.3	Very high	112 Å²	112	65.1 Å²	65.1	52%	0.523	35%	0.35	S	S	.	.			trans	-79	128	171	-177.4	173.4	-166	0	0	109.8	G170 A171 R201	G170-E199 CarbonylContact C-O 3.21Å; G170-E199 VanDerWaalsContact CA-O 3.28Å; G170-E199 WeakPolarHBondContact CA-O 3.29Å; A171-E199 HydrophobicContact CB-CB 4.2Å; A171-E199 HydrophobicContact CB-CG 4.09Å; A171-E199 PolarHBondContact N-O 2.97Å; E199-R201 IonicContact OE1-CZ 3.21Å; E199-R201 IonicContact OE1-NE 2.65Å; E199-R201 IonicContact OE1-NH1 3.67Å; E199-R201 PolarHBondContact OE1-NH1 3.43Å; E199-R201 VanDerWaalsContact OE1-NH1 3.11Å; E199-R201 IonicContact OE1-NH2 3.11Å; E199-R201 PolarHBondContact OE1-NH2 3.42Å
200	F	95.8	Very high	93.1	Very high	22 Å²	22	62.2 Å²	62.2	10%	0.096	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	151.9	176.8	-77.2	-104.8	0	0	0	111.5	L145 T169 P190 H192 L196 N198	L145-F200 HydrophobicContact CD2-CE1 4.39Å; T169-F200 WeakPolarHBondContact O-CA 3.26Å; P190-F200 HydrophobicContact CG-CB 3.95Å; H192-F200 AromaticContact CE1-CD1 3.88Å; H192-F200 AromaticContact CE1-CD2 3.75Å; H192-F200 AromaticContact CE1-CG 3.61Å; L196-F200 HydrophobicContact CB-CE2 4.31Å; L196-F200 HydrophobicContact CD1-CD2 4.18Å; L196-F200 HydrophobicContact CD1-CE2 3.52Å; L196-F200 HydrophobicContact CD1-CZ 4.02Å; N198-F200 HydrophobicContact CB-CD2 4.41Å; N198-F200 HydrophobicContact CB-CE2 3.92Å; N198-F200 WeakPolarHBondContact O-CD2 3.23Å
201	R	97.6	Very high	92.5	Very high	50 Å²	50	65.1 Å²	65.1	19%	0.189	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	158.6	-179.4	-71.9	-65.5	-176.6	-103.5	11.5	110.5	C168 T169 A171 M185 V189 E199 Y203	C168-R201 WeakPolarHBondContact CA-O 3.34Å; T169-R201 PolarHBondContact N-O 2.9Å; T169-R201 VanDerWaalsContact N-O 3.16Å; T169-R201 PolarHBondContact O-N 2.99Å; A171-R201 HydrophobicContact CB-CG 4.04Å; M185-R201 HydrophobicContact CG-CB 4.34Å; M185-R201 HydrophobicContact CG-CG 4.37Å; M185-R201 HydrophobicContact SD-CB 4.35Å; M185-R201 HydrophobicContact SD-CG 3.78Å; V189-R201 VanDerWaalsContact CG1-NH1 3.33Å; E199-R201 IonicContact OE1-CZ 3.21Å; E199-R201 IonicContact OE1-NE 2.65Å; E199-R201 IonicContact OE1-NH1 3.67Å; E199-R201 PolarHBondContact OE1-NH1 3.43Å; E199-R201 VanDerWaalsContact OE1-NH1 3.11Å; E199-R201 IonicContact OE1-NH2 3.11Å; E199-R201 PolarHBondContact OE1-NH2 3.42Å; R201-Y203 HydrophobicContact CB-CD2 4.41Å; R201-Y203 HydrophobicContact CB-CE1 4.49Å; R201-Y203 HydrophobicContact CB-CE2 3.54Å; R201-Y203 WeakPolarHBondContact CB-OH 3.3Å
202	C	97.6	Very high	91.1	Very high	0 Å²	0	64 Å²	64	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	143.9	170.5	-63.3	0	0	0	0	109.4	L167 C168 M185 C186 F188 L210	L167-C202 CarbonylContact O-C 3.5Å; L167-C202 WeakPolarHBondContact O-CA 3.5Å; C168-C202 PolarHBondContact SG-SG 3.03Å; M185-C202 WeakPolarHBondContact CA-O 3.31Å; C186-C202 HydrophobicContact CB-CB 4.28Å; C186-C202 PolarHBondContact N-O 3.39Å; F188-C202 HydrophobicContact CD1-CB 4.5Å; C202-L210 HydrophobicContact CB-CD1 4.33Å
203	Y	98.5	Very high	89.2	Confident	1 Å²	1	65.8 Å²	65.8	0%	0.004	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	139.1	-180	-53	-97.9	0	0	0	110.1	L167 T169 A171 E174 V183 K184 M185 R201	L167-Y203 HydrophobicContact CD2-CD2 4.5Å; L167-Y203 PolarHBondContact N-O 3.38Å; L167-Y203 PolarHBondContact O-N 2.93Å; T169-Y203 HydrophobicContact CG2-CD2 4.09Å; T169-Y203 HydrophobicContact CG2-CE2 3.76Å; A171-Y203 WeakPolarHBondContact CA-OH 3.47Å; E174-Y203 HydrophobicContact CB-CE1 3.8Å; E174-Y203 HydrophobicContact CG-CE1 3.76Å; V183-Y203 HydrophobicContact CG2-CG 4.36Å; K184-Y203 CarbonylContact O-C 3.5Å; K184-Y203 WeakPolarHBondContact O-CA 3.45Å; M185-Y203 VanDerWaalsContact CA-CD1 3.42Å; M185-Y203 HydrophobicContact CB-CD1 3.76Å; M185-Y203 HydrophobicContact CB-CE1 3.62Å; M185-Y203 HydrophobicContact CG-CD1 4.39Å; M185-Y203 HydrophobicContact CG-CE1 3.99Å; R201-Y203 HydrophobicContact CB-CD2 4.41Å; R201-Y203 HydrophobicContact CB-CE1 4.49Å; R201-Y203 HydrophobicContact CB-CE2 3.54Å; R201-Y203 WeakPolarHBondContact CB-OH 3.3Å
204	V	98.6	Very high	86.9	Confident	6 Å²	6	72.7 Å²	72.7	4%	0.036	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158.5	-178.3	-62.2	0	0	0	0	112.3	I165 L166 V183 K184 C186 Y206 L210	I165-V204 VanDerWaalsContact O-CA 3.29Å; I165-V204 WeakPolarHBondContact O-CA 3.49Å; L166-V204 HydrophobicContact CB-CG1 4.38Å; L166-V204 HydrophobicContact CG-CG1 4.07Å; V183-V204 CarbonylContact C-O 3.55Å; V183-V204 VanDerWaalsContact CA-O 3.29Å; V183-V204 WeakPolarHBondContact CA-O 3.36Å; K184-V204 PolarHBondContact N-O 3.03Å; K184-V204 PolarHBondContact O-N 3.43Å; C186-V204 WeakPolarHBondContact SG-CG2 3.37Å; V204-Y206 HydrophobicContact CB-CD1 4.11Å; V204-Y206 HydrophobicContact CB-CE1 3.9Å; V204-Y206 HydrophobicContact CG1-CE1 3.92Å; V204-Y206 WeakPolarHBondContact CG2-O 3.3Å; V204-L210 HydrophobicContact CG1-CD1 4.42Å
205	N	98.3	Very high	86.9	Confident	62 Å²	62	70.1 Å²	70.1	33%	0.332	41%	0.408	S	S	.	.	S	Bend	trans	-115.2	18.5	174.9	71.9	-16	0	0	0	113.6	G163 K164 I165 V183	G163-N205 PolarHBondContact O-ND2 3.43Å; G163-N205 PolarHBondContact O-OD1 3.03Å; K164-N205 WeakPolarHBondContact CA-OD1 3.34Å; I165-N205 PolarHBondContact N-OD1 3.07Å; I165-N205 PolarHBondContact O-N 3.48Å; V183-N205 HydrophobicContact CG1-CB 4.05Å
206	Y	96.8	Very high	87.1	Confident	34 Å²	34	64.7 Å²	64.7	13%	0.133	38%	0.381	C	S	.	.	S	Bend	trans	-137.8	166.6	-179.7	62.6	-87.7	0	0	0	110.2	E66 A70 I137 K164 I165 V204 S208	E66-Y206 WeakPolarHBondContact CG-OH 3.44Å; A70-Y206 HydrophobicContact CB-CE2 3.92Å; I137-Y206 HydrophobicContact CD1-CE1 3.97Å; K164-Y206 HydrophobicContact CB-CD1 3.77Å; K164-Y206 HydrophobicContact CB-CE1 4.11Å; K164-Y206 HydrophobicContact CB-CG 4.38Å; K164-Y206 HydrophobicContact CD-CD1 4.39Å; K164-Y206 HydrophobicContact CD-CD2 4.49Å; K164-Y206 HydrophobicContact CD-CG 4.22Å; K164-Y206 HydrophobicContact CG-CD1 4.08Å; K164-Y206 HydrophobicContact CG-CG 4.19Å; I165-Y206 WeakPolarHBondContact O-CE1 3.49Å; V204-Y206 HydrophobicContact CB-CD1 4.11Å; V204-Y206 HydrophobicContact CB-CE1 3.9Å; V204-Y206 HydrophobicContact CG1-CE1 3.92Å; V204-Y206 WeakPolarHBondContact CG2-O 3.3Å; Y206-S208 PolarHBondContact O-N 2.99Å
207	D	94.3	Very high	87.1	Confident	172 Å²	172	65.7 Å²	65.7	92%	0.92	39%	0.388	S	S	*	.			trans	-67.1	102.2	175.1	-63	-34.3	0	0	0	109.6
208	S	93.4	Very high	87.3	Confident	13 Å²	13	63.1 Å²	63.1	9%	0.091	36%	0.357	C	S	.	.			trans	-100.9	142.1	-170.2	175.4	0	0	0	0	111.8	E66 Y206 L210	E66-S208 WeakPolarHBondContact OE1-CA 3.43Å; E66-S208 PolarHBondContact OE1-OG 2.88Å; E66-S208 VanDerWaalsContact OE1-OG 3.1Å; Y206-S208 PolarHBondContact O-N 2.99Å; S208-L210 PolarHBondContact O-N 3.06Å; S208-L210 VanDerWaalsContact OG-CB 3.26Å; S208-L210 WeakPolarHBondContact OG-CB 3.08Å; S208-L210 WeakPolarHBondContact OG-CG 3.37Å; S208-L210 PolarHBondContact OG-N 2.77Å
209	G	93	Very high	87.2	Confident	26 Å²	26	61.1 Å²	61.1	27%	0.268	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-69.3	-14.4	170.6	0	0	0	0	0	112.6	R62 E66 D211 C212	R62-G209 PolarHBondContact NH2-O 3.33Å; E66-G209 PolarHBondContact OE1-N 2.68Å; E66-G209 WeakPolarHBondContact OE2-CA 3.44Å; E66-G209 PolarHBondContact OE2-N 3.3Å; G209-D211 PolarHBondContact O-N 2.94Å; G209-C212 PolarHBondContact O-N 3.17Å
210	L	91.8	Very high	86.8	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-65.6	-18	179.1	-64.6	174.1	0	0	0	113	R62 L63 E66 L166 C186 T187 F188 C202 V204 S208	R62-L210 HydrophobicContact CG-CD2 3.87Å; L63-L210 HydrophobicContact CD2-CD1 4.29Å; L63-L210 HydrophobicContact CD2-CD2 4.48Å; E66-L210 HydrophobicContact CB-CD2 4.22Å; E66-L210 HydrophobicContact CB-CG 4.26Å; E66-L210 HydrophobicContact CG-CD1 3.98Å; E66-L210 HydrophobicContact CG-CD2 4.27Å; E66-L210 HydrophobicContact CG-CG 3.77Å; E66-L210 PolarHBondContact OE2-N 3.48Å; L166-L210 HydrophobicContact CD1-CD1 4.16Å; L166-L210 HydrophobicContact CG-CD1 4.48Å; C186-L210 HydrophobicContact CB-CB 4.02Å; T187-L210 PolarHBondContact OG1-O 3.1Å; F188-L210 HydrophobicContact CB-CB 3.91Å; F188-L210 HydrophobicContact CB-CD2 4.05Å; F188-L210 HydrophobicContact CB-CG 4.47Å; F188-L210 WeakPolarHBondContact CB-O 3.4Å; F188-L210 HydrophobicContact CD1-CD2 4.02Å; F188-L210 HydrophobicContact CG-CD2 3.94Å; F188-L210 PolarHBondContact N-O 2.98Å; C202-L210 HydrophobicContact CB-CD1 4.33Å; V204-L210 HydrophobicContact CG1-CD1 4.42Å; S208-L210 PolarHBondContact O-N 3.06Å; S208-L210 VanDerWaalsContact OG-CB 3.26Å; S208-L210 WeakPolarHBondContact OG-CB 3.08Å; S208-L210 WeakPolarHBondContact OG-CG 3.37Å; S208-L210 PolarHBondContact OG-N 2.77Å
211	D	84.8	Confident	86.2	Confident	68 Å²	68	60.2 Å²	60.2	36%	0.364	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-88.9	-12.1	177.3	-69.5	-39.5	0	0	0	113.7	C186 T187 G209 G213	C186-D211 WeakPolarHBondContact CA-OD1 3.45Å; C186-D211 WeakPolarHBondContact CB-OD1 3.43Å; T187-D211 PolarHBondContact N-OD1 3.45Å; T187-D211 WeakPolarHBondContact OG1-CA 3.45Å; G209-D211 PolarHBondContact O-N 2.94Å; D211-G213 PolarHBondContact O-N 3.42Å
212	C	64.8	Low	85.3	Confident	96 Å²	96	61 Å²	61	65%	0.649	37%	0.366	S	S	*	.	S	Bend	trans	-80.4	103.2	172.6	-60.5	0	0	0	0	108.8	G209 I214	G209-C212 PolarHBondContact O-N 3.17Å; C212-I214 PolarHBondContact O-N 3.03Å
213	G	54.8	Low	84.3	Confident	66 Å²	66	66.1 Å²	66.1	68%	0.68	40%	0.396	S	S	*	.			trans	-53.7	137.2	162.1	0	0	0	0	0	109.7	D211	D211-G213 PolarHBondContact O-N 3.42Å
214	I	42.4	Very low	83	Confident	245 Å²	245	72 Å²	72	100%	1.256	43%	0.432	S	S	*	.			trans	-52.7	0	175.2	-47.7	170.5	0	0	0	110.2	C212	C212-I214 PolarHBondContact O-N 3.03Å

Retrieved 214 of 214 residues in 178.7 ms (Link to these results)

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