A0A087XXA4_POEFO Loading...

Aspartate--tRNA ligase, cytoplasmic

Catalyzes the specific attachment of an amino acid to its cognate tRNA in a 2 step reaction: the amino acid (AA) is first activated by ATP to form AA-AMP and then transferred to the acceptor end of the tRNA.

AlphaFold DB , UniProt , Accession A0A087XXA4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 534 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	42.6	Very low	233 Å²	233	130.2 Å²	130.2	100%	1.148	73%	0.733	S	S	*	*				0	123.1	0	-68.4	172.6	170.9	0	0	107.4
2	T	38.8	Very low	43.3	Very low	109 Å²	109	132.7 Å²	132.7	67%	0.669	73%	0.734	S	S	*	*			cis	161	146	-21.5	26	0	0	0	0	107	E4	T2-E4 WeakPolarHBondContact CG2-OE2 3.39Å
3	K	36.9	Very low	43.9	Very low	141 Å²	141	130.5 Å²	130.5	61%	0.613	72%	0.715	S	S	*	*			cis	-85.5	-170.9	-6.9	-63.9	-164.2	-173.2	-176.4	0	111	E5	K3-E5 HydrophobicContact CD-CB 4.49Å; K3-E5 HydrophobicContact CD-CG 4.19Å; K3-E5 WeakPolarHBondContact CD-OE2 3.23Å; K3-E5 IonicContact NZ-OE1 2.66Å; K3-E5 PolarHBondContact NZ-OE1 3.3Å; K3-E5 IonicContact NZ-OE2 2.68Å; K3-E5 PolarHBondContact NZ-OE2 3.22Å
4	E	41.5	Very low	44.6	Very low	152 Å²	152	130 Å²	130	71%	0.71	71%	0.705	S	S	*	*			cis	75.6	167.9	8.7	-52.2	122	97.1	0	0	116.9	T2	T2-E4 WeakPolarHBondContact CG2-OE2 3.39Å
5	E	37.4	Very low	45.2	Very low	154 Å²	154	129.2 Å²	129.2	72%	0.72	70%	0.695	S	S	*	*			trans	65.8	135.9	-177.5	-70.1	167.8	-165.8	0	0	119	K3	K3-E5 HydrophobicContact CD-CB 4.49Å; K3-E5 HydrophobicContact CD-CG 4.19Å; K3-E5 WeakPolarHBondContact CD-OE2 3.23Å; K3-E5 IonicContact NZ-OE1 2.66Å; K3-E5 PolarHBondContact NZ-OE1 3.3Å; K3-E5 IonicContact NZ-OE2 2.68Å; K3-E5 PolarHBondContact NZ-OE2 3.22Å
6	A	37.3	Very low	45.8	Very low	98 Å²	98	124.5 Å²	124.5	81%	0.81	68%	0.679	S	S	*	*			cis	-158.8	129.3	-25.6	0	0	0	0	0	108.6
7	N	44.2	Very low	46.4	Very low	172 Å²	172	125 Å²	125	92%	0.92	68%	0.676	S	S	*	*			trans	-147	115.5	173.9	-166.7	8.4	0	0	0	110.2
8	G	40.3	Very low	47.3	Very low	70 Å²	70	121.7 Å²	121.7	72%	0.722	66%	0.664	S	S	*	*			trans	-177.8	69.3	-169	0	0	0	0	0	113.6
9	A	44.5	Very low	48.3	Very low	58 Å²	58	122.6 Å²	122.6	48%	0.479	66%	0.661	S	S	.	*			trans	-72.2	130.8	160.6	0	0	0	0	0	108.9
10	T	57.9	Low	49.3	Very low	85 Å²	85	124.8 Å²	124.8	52%	0.521	66%	0.664	S	S	.	*			trans	-76.4	155.8	-174.3	52.1	0	0	0	0	112.3	E12 E13	T10-E12 PolarHBondContact O-N 3.41Å; T10-E12 VanDerWaalsContact O-N 3.15Å; T10-E13 PolarHBondContact O-N 3Å
11	E	53.3	Low	50.3	Low	160 Å²	160	121.5 Å²	121.5	75%	0.748	65%	0.654	S	S	*	*	H	α-helix	trans	-59.8	-28.4	-176.6	-62	-174.4	119.7	0	0	113.1	E13 Q14 Q15	E11-E13 PolarHBondContact O-N 3.2Å; E11-Q14 PolarHBondContact O-N 3.25Å; E11-Q15 PolarHBondContact O-N 3.14Å
12	E	51.2	Low	51.9	Low	160 Å²	160	114.6 Å²	114.6	75%	0.748	62%	0.621	S	S	*	*	H	α-helix	trans	-62.9	-38.9	174.6	-64.1	-164	119.1	0	0	112.7	T10 Q15 A16	T10-E12 PolarHBondContact O-N 3.41Å; T10-E12 VanDerWaalsContact O-N 3.15Å; E12-Q15 PolarHBondContact O-N 3.22Å; E12-A16 WeakPolarHBondContact O-CB 3.47Å; E12-A16 PolarHBondContact O-N 2.9Å
13	E	51.4	Low	53.6	Low	105 Å²	105	116.8 Å²	116.8	49%	0.491	62%	0.622	S	S	.	*	H	α-helix	trans	-66.3	-40.6	177.4	-66	-160.7	117.3	0	0	111.4	T10 E11 A16 Q17	T10-E13 PolarHBondContact O-N 3Å; E11-E13 PolarHBondContact O-N 3.2Å; E13-A16 PolarHBondContact O-N 2.81Å; E13-Q17 WeakPolarHBondContact O-CG 3.33Å; E13-Q17 PolarHBondContact O-N 2.89Å
14	Q	52.8	Low	55.4	Low	123 Å²	123	116.2 Å²	116.2	58%	0.575	62%	0.619	S	S	*	*	H	α-helix	trans	-64.8	-42	177.5	-59.8	-170.7	12.9	0	0	111.4	E11 Q17 S18	E11-Q14 PolarHBondContact O-N 3.25Å; Q14-Q17 PolarHBondContact O-N 2.7Å; Q14-S18 WeakPolarHBondContact O-CB 3.26Å; Q14-S18 PolarHBondContact O-N 2.85Å
15	Q	53.5	Low	56.8	Low	118 Å²	118	115.3 Å²	115.3	55%	0.551	62%	0.615	S	S	*	*	H	α-helix	trans	-65	-37.7	173.1	-69.9	-164.9	29.5	0	0	112.8	E11 E12 S18 K19	E11-Q15 PolarHBondContact O-N 3.14Å; E12-Q15 PolarHBondContact O-N 3.22Å; Q15-S18 PolarHBondContact O-N 2.87Å; Q15-K19 WeakPolarHBondContact O-CG 3.36Å; Q15-K19 PolarHBondContact O-N 2.92Å
16	A	55.9	Low	58.6	Low	54 Å²	54	113.7 Å²	113.7	45%	0.446	61%	0.607	S	S	.	*	H	α-helix	trans	-67.3	-40.2	177.2	0	0	0	0	0	112.3	E12 E13 K20	E12-A16 WeakPolarHBondContact O-CB 3.47Å; E12-A16 PolarHBondContact O-N 2.9Å; E13-A16 PolarHBondContact O-N 2.81Å; A16-K20 PolarHBondContact O-N 3.13Å; A16-K20 VanDerWaalsContact O-N 3.11Å
17	Q	55.9	Low	60.5	Low	133 Å²	133	116 Å²	116	62%	0.621	60%	0.599	S	S	*	*	H	α-helix	trans	-64.2	-45.5	173.6	-71.3	-179	25.5	0	0	111.5	E13 Q14 K19 K20 A21	E13-Q17 WeakPolarHBondContact O-CG 3.33Å; E13-Q17 PolarHBondContact O-N 2.89Å; Q14-Q17 PolarHBondContact O-N 2.7Å; Q17-K19 PolarHBondContact O-N 2.99Å; Q17-K20 WeakPolarHBondContact O-CB 3.29Å; Q17-K20 PolarHBondContact O-N 2.67Å; Q17-K20 VanDerWaalsContact O-N 3.14Å; Q17-A21 PolarHBondContact O-N 3.17Å
18	S	62.9	Low	62	Low	66 Å²	66	112.6 Å²	112.6	46%	0.462	58%	0.578	S	S	.	*	H	α-helix	trans	-57.1	-48	176	178.6	0	0	0	0	112.5	Q14 Q15 K20 A21 L22	Q14-S18 WeakPolarHBondContact O-CB 3.26Å; Q14-S18 PolarHBondContact O-N 2.85Å; Q15-S18 PolarHBondContact O-N 2.87Å; S18-K20 VanDerWaalsContact C-N 3.31Å; S18-K20 PolarHBondContact O-N 3.16Å; S18-A21 PolarHBondContact O-N 2.75Å; S18-L22 PolarHBondContact O-N 3.49Å
19	K	65.7	Low	63.6	Low	139 Å²	139	112.1 Å²	112.1	60%	0.604	57%	0.567	S	S	*	*	H	α-helix	trans	-63.8	-31.6	176.6	-74.1	168.1	-179.9	161.3	0	113.1	Q15 Q17 K23	Q15-K19 WeakPolarHBondContact O-CG 3.36Å; Q15-K19 PolarHBondContact O-N 2.92Å; Q17-K19 PolarHBondContact O-N 2.99Å; K19-K23 PolarHBondContact O-N 3.26Å
20	K	68.7	Low	65.3	Low	166 Å²	166	114.1 Å²	114.1	72%	0.722	57%	0.566	S	S	*	*	H	α-helix	trans	-70	-43.1	171.3	-86.2	179.6	176.4	173	0	112.2	A16 Q17 S18 K23 K24	A16-K20 PolarHBondContact O-N 3.13Å; A16-K20 VanDerWaalsContact O-N 3.11Å; Q17-K20 WeakPolarHBondContact O-CB 3.29Å; Q17-K20 PolarHBondContact O-N 2.67Å; Q17-K20 VanDerWaalsContact O-N 3.14Å; S18-K20 VanDerWaalsContact C-N 3.31Å; S18-K20 PolarHBondContact O-N 3.16Å; K20-K23 PolarHBondContact O-N 2.9Å; K20-K24 PolarHBondContact O-N 2.82Å
21	A	69.6	Low	66.1	Low	55 Å²	55	117.7 Å²	117.7	46%	0.455	58%	0.575	S	S	.	*	H	α-helix	trans	-61.7	-46.5	179.1	0	0	0	0	0	111.9	Q17 S18 K23 K24 Q25	Q17-A21 PolarHBondContact O-N 3.17Å; S18-A21 PolarHBondContact O-N 2.75Å; A21-K23 PolarHBondContact O-N 3.15Å; A21-K24 WeakPolarHBondContact O-CB 3.37Å; A21-K24 PolarHBondContact O-N 3.09Å; A21-K24 VanDerWaalsContact O-N 3.1Å; A21-Q25 PolarHBondContact O-N 3.48Å
22	L	71.4	Confident	67.2	Low	88 Å²	88	112.9 Å²	112.9	46%	0.461	56%	0.563	S	S	.	*	H	α-helix	trans	-57.1	-46.6	174.4	-96.2	146.8	0	0	0	112.6	S18 K24 Q25 Q26	S18-L22 PolarHBondContact O-N 3.49Å; L22-K24 VanDerWaalsContact C-N 3.28Å; L22-K24 PolarHBondContact O-N 2.88Å; L22-Q25 PolarHBondContact O-N 3.37Å; L22-Q26 WeakPolarHBondContact O-CB 3.49Å; L22-Q26 VanDerWaalsContact O-CG 3.29Å; L22-Q26 WeakPolarHBondContact O-CG 3.48Å; L22-Q26 PolarHBondContact O-N 3.44Å
23	K	73.4	Confident	68.4	Low	155 Å²	155	108.1 Å²	108.1	67%	0.674	55%	0.55	S	S	*	*	H	α-helix	trans	-65.3	-28.1	175.8	-86.6	-173.6	173.3	179.3	0	113.6	K19 K20 A21 K27	K19-K23 PolarHBondContact O-N 3.26Å; K20-K23 PolarHBondContact O-N 2.9Å; A21-K23 PolarHBondContact O-N 3.15Å; K23-K27 PolarHBondContact O-N 2.82Å
24	K	73.8	Confident	69.6	Low	130 Å²	130	108.9 Å²	108.9	57%	0.565	55%	0.552	S	S	*	*	H	α-helix	trans	-70.8	-52.2	173	-176.9	-178.5	167.9	-175.4	0	110.7	K20 A21 L22 Q26 K27 E28	K20-K24 PolarHBondContact O-N 2.82Å; A21-K24 WeakPolarHBondContact O-CB 3.37Å; A21-K24 PolarHBondContact O-N 3.09Å; A21-K24 VanDerWaalsContact O-N 3.1Å; L22-K24 VanDerWaalsContact C-N 3.28Å; L22-K24 PolarHBondContact O-N 2.88Å; K24-Q26 VanDerWaalsContact C-N 3.3Å; K24-Q26 PolarHBondContact O-N 2.92Å; K24-K27 PolarHBondContact O-N 3.03Å; K24-K27 VanDerWaalsContact O-N 3.12Å; K24-E28 WeakPolarHBondContact CE-OE1 3.22Å; K24-E28 IonicContact NZ-OE1 2.73Å; K24-E28 WeakPolarHBondContact O-CG 3.31Å; K24-E28 PolarHBondContact O-N 3.33Å
25	Q	72.4	Confident	70.7	Confident	133 Å²	133	109.7 Å²	109.7	62%	0.621	55%	0.554	S	S	*	*	H	α-helix	trans	-57	-41.7	176.5	-79.7	-175.5	-26.6	0	0	112.2	A21 L22 K27 E28 A29	A21-Q25 PolarHBondContact O-N 3.48Å; L22-Q25 PolarHBondContact O-N 3.37Å; Q25-K27 PolarHBondContact O-N 2.92Å; Q25-E28 PolarHBondContact O-N 3.4Å; Q25-A29 VanDerWaalsContact O-CB 3.31Å; Q25-A29 WeakPolarHBondContact O-CB 3.17Å; Q25-A29 PolarHBondContact O-N 3.01Å
26	Q	74.8	Confident	71.7	Confident	119 Å²	119	106.7 Å²	106.7	56%	0.556	55%	0.549	S	S	*	.	H	α-helix	trans	-61	-43.4	176	-75.1	171.9	-14.1	0	0	112.3	L22 K24 A29 E30	L22-Q26 WeakPolarHBondContact O-CB 3.49Å; L22-Q26 VanDerWaalsContact O-CG 3.29Å; L22-Q26 WeakPolarHBondContact O-CG 3.48Å; L22-Q26 PolarHBondContact O-N 3.44Å; K24-Q26 VanDerWaalsContact C-N 3.3Å; K24-Q26 PolarHBondContact O-N 2.92Å; Q26-A29 PolarHBondContact O-N 2.86Å; Q26-E30 WeakPolarHBondContact O-CB 3.42Å; Q26-E30 PolarHBondContact O-N 2.77Å
27	K	76.4	Confident	72.6	Confident	146 Å²	146	109 Å²	109	64%	0.635	55%	0.55	S	S	*	*	H	α-helix	trans	-68.7	-31.7	175	-80.2	-171.4	171.7	-173.4	0	113.5	K23 K24 Q25 K31	K23-K27 PolarHBondContact O-N 2.82Å; K24-K27 PolarHBondContact O-N 3.03Å; K24-K27 VanDerWaalsContact O-N 3.12Å; Q25-K27 PolarHBondContact O-N 2.92Å; K27-K31 WeakPolarHBondContact O-CB 3.22Å; K27-K31 WeakPolarHBondContact O-CG 3.02Å; K27-K31 PolarHBondContact O-N 2.81Å
28	E	76.3	Confident	73.3	Confident	101 Å²	101	109.6 Å²	109.6	47%	0.472	55%	0.551	S	S	.	*	H	α-helix	trans	-73.3	-40.8	176.1	-73.7	171.1	165.2	0	0	111	K24 Q25 K31 A32	K24-E28 WeakPolarHBondContact CE-OE1 3.22Å; K24-E28 IonicContact NZ-OE1 2.73Å; K24-E28 WeakPolarHBondContact O-CG 3.31Å; K24-E28 PolarHBondContact O-N 3.33Å; Q25-E28 PolarHBondContact O-N 3.4Å; E28-K31 PolarHBondContact O-N 2.88Å; E28-A32 WeakPolarHBondContact O-CB 3.25Å; E28-A32 PolarHBondContact O-N 3.14Å
29	A	74.9	Confident	73.6	Confident	61 Å²	61	111.9 Å²	111.9	50%	0.504	56%	0.555	S	S	.	*	H	α-helix	trans	-63.9	-42.1	171.1	0	0	0	0	0	112.3	Q25 Q26 A32 A33	Q25-A29 VanDerWaalsContact O-CB 3.31Å; Q25-A29 WeakPolarHBondContact O-CB 3.17Å; Q25-A29 PolarHBondContact O-N 3.01Å; Q26-A29 PolarHBondContact O-N 2.86Å; A29-A32 PolarHBondContact O-N 3.39Å; A29-A33 WeakPolarHBondContact O-CB 3.4Å; A29-A33 PolarHBondContact O-N 3.42Å
30	E	78.6	Confident	73.8	Confident	99 Å²	99	108.2 Å²	108.2	46%	0.463	55%	0.55	S	S	.	.	H	α-helix	trans	-65	-39.8	176.2	-164.1	-159.1	152	0	0	111.8	Q26 K34	Q26-E30 WeakPolarHBondContact O-CB 3.42Å; Q26-E30 PolarHBondContact O-N 2.77Å; E30-K34 HydrophobicContact CG-CD 4.43Å; E30-K34 WeakPolarHBondContact O-CB 3.4Å; E30-K34 WeakPolarHBondContact O-CG 3.25Å; E30-K34 PolarHBondContact O-N 2.94Å; E30-K34 WeakPolarHBondContact OE1-CE 3.37Å; E30-K34 IonicContact OE1-NZ 3.37Å; E30-K34 PolarHBondContact OE1-NZ 3.11Å
31	K	74.8	Confident	73.8	Confident	161 Å²	161	105.8 Å²	105.8	70%	0.7	54%	0.539	S	S	*	.	H	α-helix	trans	-64.6	-41.3	171.1	-82.9	-176	173.1	-174.8	0	112.2	K27 E28 K35	K27-K31 WeakPolarHBondContact O-CB 3.22Å; K27-K31 WeakPolarHBondContact O-CG 3.02Å; K27-K31 PolarHBondContact O-N 2.81Å; E28-K31 PolarHBondContact O-N 2.88Å; K31-K35 WeakPolarHBondContact O-CB 3.46Å; K31-K35 PolarHBondContact O-N 2.97Å
32	A	76	Confident	73.6	Confident	59 Å²	59	106.9 Å²	106.9	49%	0.488	54%	0.537	S	S	.	.	H	α-helix	trans	-64.4	-44.5	176.8	0	0	0	0	0	111.3	E28 A29 K35 A36	E28-A32 WeakPolarHBondContact O-CB 3.25Å; E28-A32 PolarHBondContact O-N 3.14Å; A29-A32 PolarHBondContact O-N 3.39Å; A32-K35 PolarHBondContact O-N 3.04Å; A32-A36 WeakPolarHBondContact O-CB 2.99Å; A32-A36 PolarHBondContact O-N 3.09Å
33	A	77.1	Confident	73	Confident	59 Å²	59	104.8 Å²	104.8	49%	0.488	53%	0.532	S	S	.	.	H	α-helix	trans	-60.3	-48.9	175	0	0	0	0	0	111.6	A29 K35 A36 E37	A29-A33 WeakPolarHBondContact O-CB 3.4Å; A29-A33 PolarHBondContact O-N 3.42Å; A33-K35 VanDerWaalsContact C-N 3.29Å; A33-K35 PolarHBondContact O-N 3.22Å; A33-A36 PolarHBondContact O-N 3.23Å; A33-E37 WeakPolarHBondContact O-CB 3.39Å; A33-E37 PolarHBondContact O-N 2.84Å
34	K	77.8	Confident	72.2	Confident	122 Å²	122	99.9 Å²	99.9	53%	0.53	52%	0.521	S	S	.	.	H	α-helix	trans	-65	-30.2	176.8	-74.7	173.2	173.7	173.4	0	113.1	E30 K38	E30-K34 HydrophobicContact CG-CD 4.43Å; E30-K34 WeakPolarHBondContact O-CB 3.4Å; E30-K34 WeakPolarHBondContact O-CG 3.25Å; E30-K34 PolarHBondContact O-N 2.94Å; E30-K34 WeakPolarHBondContact OE1-CE 3.37Å; E30-K34 IonicContact OE1-NZ 3.37Å; E30-K34 PolarHBondContact OE1-NZ 3.11Å; K34-K38 VanDerWaalsContact O-CB 3.32Å; K34-K38 WeakPolarHBondContact O-CB 3.45Å; K34-K38 PolarHBondContact O-N 3.47Å; K34-K38 VanDerWaalsContact O-N 3.15Å
35	K	74.8	Confident	71.4	Confident	140 Å²	140	99.5 Å²	99.5	61%	0.609	52%	0.521	S	S	*	.	H	α-helix	trans	-70.5	-45.3	171.3	-172.5	-175.6	174.8	-172.7	0	111.3	K31 A32 A33 K38 Q39	K31-K35 WeakPolarHBondContact O-CB 3.46Å; K31-K35 PolarHBondContact O-N 2.97Å; A32-K35 PolarHBondContact O-N 3.04Å; A33-K35 VanDerWaalsContact C-N 3.29Å; A33-K35 PolarHBondContact O-N 3.22Å; K35-K38 PolarHBondContact O-N 2.75Å; K35-Q39 WeakPolarHBondContact O-CG 3.45Å; K35-Q39 PolarHBondContact O-N 3.41Å
36	A	74.6	Confident	70.6	Confident	55 Å²	55	99 Å²	99	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-64.9	-43.5	178	0	0	0	0	0	112	A32 A33 K38 Q39 A40	A32-A36 WeakPolarHBondContact O-CB 2.99Å; A32-A36 PolarHBondContact O-N 3.09Å; A33-A36 PolarHBondContact O-N 3.23Å; A36-K38 VanDerWaalsContact C-N 3.34Å; A36-K38 PolarHBondContact O-N 2.66Å; A36-Q39 CarbonylContact O-C 3.59Å; A36-Q39 PolarHBondContact O-N 3.2Å; A36-A40 WeakPolarHBondContact O-CB 3.35Å; A36-A40 PolarHBondContact O-N 2.97Å
37	E	74.3	Confident	69.5	Low	102 Å²	102	99.9 Å²	99.9	48%	0.477	52%	0.523	S	S	.	.	H	α-helix	trans	-61.8	-41.7	174.6	-165.8	-155.1	147.6	0	0	111.2	A33 A40 K41	A33-E37 WeakPolarHBondContact O-CB 3.39Å; A33-E37 PolarHBondContact O-N 2.84Å; E37-A40 PolarHBondContact O-N 3.34Å; E37-K41 WeakPolarHBondContact O-CB 3.2Å; E37-K41 PolarHBondContact O-N 3.36Å; E37-K41 WeakPolarHBondContact OE1-CE 3.46Å; E37-K41 IonicContact OE1-NZ 2.66Å; E37-K41 PolarHBondContact OE1-NZ 3.12Å
38	K	72.1	Confident	68.3	Low	145 Å²	145	96.6 Å²	96.6	63%	0.63	52%	0.518	S	S	*	.	H	α-helix	trans	-66.4	-37.4	174.3	-171.6	171.6	-177.5	176.4	0	112.2	K34 K35 A36 L42	K34-K38 VanDerWaalsContact O-CB 3.32Å; K34-K38 WeakPolarHBondContact O-CB 3.45Å; K34-K38 PolarHBondContact O-N 3.47Å; K34-K38 VanDerWaalsContact O-N 3.15Å; K35-K38 PolarHBondContact O-N 2.75Å; A36-K38 VanDerWaalsContact C-N 3.34Å; A36-K38 PolarHBondContact O-N 2.66Å; K38-L42 HydrophobicContact CG-CD1 4.2Å; K38-L42 WeakPolarHBondContact O-CB 3.29Å; K38-L42 WeakPolarHBondContact O-CD1 3.12Å; K38-L42 VanDerWaalsContact O-CG 3.25Å; K38-L42 WeakPolarHBondContact O-CG 3.36Å; K38-L42 PolarHBondContact O-N 2.96Å
39	Q	68	Low	67.2	Low	115 Å²	115	93.6 Å²	93.6	54%	0.537	51%	0.51	S	S	.	.	H	α-helix	trans	-68.4	-37.2	173.2	-74.4	-177.1	-99.4	0	0	112.1	K35 A36 L42 A43	K35-Q39 WeakPolarHBondContact O-CG 3.45Å; K35-Q39 PolarHBondContact O-N 3.41Å; A36-Q39 CarbonylContact O-C 3.59Å; A36-Q39 PolarHBondContact O-N 3.2Å; Q39-L42 PolarHBondContact O-N 2.97Å; Q39-A43 VanDerWaalsContact O-CB 3.3Å; Q39-A43 WeakPolarHBondContact O-CB 3.23Å; Q39-A43 PolarHBondContact O-N 2.9Å
40	A	70	Confident	66.1	Low	61 Å²	61	94.4 Å²	94.4	50%	0.504	51%	0.506	S	S	.	.	H	α-helix	trans	-67.8	-41.6	175.7	0	0	0	0	0	112	A36 E37 A43 A44	A36-A40 WeakPolarHBondContact O-CB 3.35Å; A36-A40 PolarHBondContact O-N 2.97Å; E37-A40 PolarHBondContact O-N 3.34Å; A40-A43 PolarHBondContact O-N 3.19Å; A40-A44 WeakPolarHBondContact O-CB 3.33Å; A40-A44 PolarHBondContact O-N 3.21Å
41	K	69.4	Low	65	Low	116 Å²	116	98 Å²	98	50%	0.504	52%	0.523	S	S	.	.	H	α-helix	trans	-63	-46.3	171.8	-81	172.9	171.9	163.2	0	111.8	E37 A43 A44 E45	E37-K41 WeakPolarHBondContact O-CB 3.2Å; E37-K41 PolarHBondContact O-N 3.36Å; E37-K41 WeakPolarHBondContact OE1-CE 3.46Å; E37-K41 IonicContact OE1-NZ 2.66Å; E37-K41 PolarHBondContact OE1-NZ 3.12Å; K41-A43 VanDerWaalsContact C-N 3.31Å; K41-A43 PolarHBondContact O-N 2.95Å; K41-A44 PolarHBondContact O-N 2.82Å; K41-E45 WeakPolarHBondContact O-CB 3.43Å; K41-E45 VanDerWaalsContact O-CG 3.31Å; K41-E45 WeakPolarHBondContact O-CG 3.31Å; K41-E45 PolarHBondContact O-N 3.05Å
42	L	64.9	Low	64.6	Low	78 Å²	78	97 Å²	97	41%	0.408	53%	0.525	S	S	.	.	H	α-helix	trans	-61	-38	174.2	-74.9	167.2	0	0	0	112.3	K38 Q39 Q46	K38-L42 HydrophobicContact CG-CD1 4.2Å; K38-L42 WeakPolarHBondContact O-CB 3.29Å; K38-L42 WeakPolarHBondContact O-CD1 3.12Å; K38-L42 VanDerWaalsContact O-CG 3.25Å; K38-L42 WeakPolarHBondContact O-CG 3.36Å; K38-L42 PolarHBondContact O-N 2.96Å; Q39-L42 PolarHBondContact O-N 2.97Å; L42-Q46 VanDerWaalsContact O-CB 3.3Å; L42-Q46 WeakPolarHBondContact O-CB 3.11Å; L42-Q46 VanDerWaalsContact O-CG 3.23Å; L42-Q46 WeakPolarHBondContact O-CG 3.23Å; L42-Q46 PolarHBondContact O-N 2.77Å
43	A	59.6	Low	65	Low	43 Å²	43	94.8 Å²	94.8	36%	0.355	51%	0.505	S	S	.	.	H	α-helix	trans	-67.2	-42.2	175.8	0	0	0	0	0	112.2	Q39 A40 K41 Q46 Q47	Q39-A43 VanDerWaalsContact O-CB 3.3Å; Q39-A43 WeakPolarHBondContact O-CB 3.23Å; Q39-A43 PolarHBondContact O-N 2.9Å; A40-A43 PolarHBondContact O-N 3.19Å; K41-A43 VanDerWaalsContact C-N 3.31Å; K41-A43 PolarHBondContact O-N 2.95Å; A43-Q46 PolarHBondContact O-N 2.88Å; A43-Q47 WeakPolarHBondContact O-CG 3.47Å; A43-Q47 PolarHBondContact O-N 2.59Å
44	A	54.8	Low	65.6	Low	52 Å²	52	98 Å²	98	43%	0.43	51%	0.508	S	S	.	.	H	α-helix	trans	-68.9	-39.6	176.4	0	0	0	0	0	112.5	A40 K41 Q46 Q47 S48	A40-A44 WeakPolarHBondContact O-CB 3.33Å; A40-A44 PolarHBondContact O-N 3.21Å; K41-A44 PolarHBondContact O-N 2.82Å; A44-Q46 VanDerWaalsContact C-N 3.28Å; A44-Q46 PolarHBondContact O-N 3.28Å; A44-Q47 PolarHBondContact O-N 3.06Å; A44-S48 WeakPolarHBondContact O-CB 3.37Å; A44-S48 PolarHBondContact O-N 3.32Å; A44-S48 PolarHBondContact O-OG 2.84Å
45	E	57.7	Low	66.1	Low	122 Å²	122	92.2 Å²	92.2	57%	0.57	48%	0.483	S	S	*	.	H	α-helix	trans	-64.8	-31.2	170.8	-74.6	172.8	-172.2	0	0	112	K41 A49	K41-E45 WeakPolarHBondContact O-CB 3.43Å; K41-E45 VanDerWaalsContact O-CG 3.31Å; K41-E45 WeakPolarHBondContact O-CG 3.31Å; K41-E45 PolarHBondContact O-N 3.05Å; E45-A49 WeakPolarHBondContact O-CB 3.41Å; E45-A49 PolarHBondContact O-N 3.33Å
46	Q	55.3	Low	66.8	Low	123 Å²	123	90.1 Å²	90.1	58%	0.575	47%	0.474	S	S	*	.	H	α-helix	trans	-73.3	-49	171.9	-79.1	-179.7	-107.2	0	0	111.5	L42 A43 A44 S48 A49 D50	L42-Q46 VanDerWaalsContact O-CB 3.3Å; L42-Q46 WeakPolarHBondContact O-CB 3.11Å; L42-Q46 VanDerWaalsContact O-CG 3.23Å; L42-Q46 WeakPolarHBondContact O-CG 3.23Å; L42-Q46 PolarHBondContact O-N 2.77Å; A43-Q46 PolarHBondContact O-N 2.88Å; A44-Q46 VanDerWaalsContact C-N 3.28Å; A44-Q46 PolarHBondContact O-N 3.28Å; Q46-S48 PolarHBondContact O-N 3.02Å; Q46-A49 CarbonylContact O-C 3.59Å; Q46-A49 PolarHBondContact O-N 3.1Å; Q46-A49 VanDerWaalsContact O-N 3.14Å; Q46-D50 WeakPolarHBondContact O-CB 3.26Å; Q46-D50 PolarHBondContact O-N 3.05Å
47	Q	52.2	Low	67.6	Low	138 Å²	138	94.6 Å²	94.6	65%	0.645	49%	0.491	S	S	*	.	H	α-helix	trans	-58.6	-49.4	179.7	-73.7	-179.5	-75.9	0	0	112	A43 A44 A49 D50 E51	A43-Q47 WeakPolarHBondContact O-CG 3.47Å; A43-Q47 PolarHBondContact O-N 2.59Å; A44-Q47 PolarHBondContact O-N 3.06Å; Q47-A49 VanDerWaalsContact C-N 3.25Å; Q47-A49 PolarHBondContact O-N 2.95Å; Q47-D50 PolarHBondContact O-N 2.78Å; Q47-E51 PolarHBondContact O-N 3.33Å
48	S	50.6	Low	68.6	Low	76 Å²	76	93 Å²	93	53%	0.531	48%	0.48	S	S	.	.	H	α-helix	trans	-66	-23.7	177.1	53.1	0	0	0	0	114.1	A44 Q46	A44-S48 WeakPolarHBondContact O-CB 3.37Å; A44-S48 PolarHBondContact O-N 3.32Å; A44-S48 PolarHBondContact O-OG 2.84Å; Q46-S48 PolarHBondContact O-N 3.02Å
49	A	53.4	Low	69.7	Low	38 Å²	38	87.9 Å²	87.9	31%	0.314	46%	0.457	S	S	.	.	H	α-helix	trans	-85.7	-11.8	172.3	0	0	0	0	0	114	E45 Q46 Q47 Q130	E45-A49 WeakPolarHBondContact O-CB 3.41Å; E45-A49 PolarHBondContact O-N 3.33Å; Q46-A49 CarbonylContact O-C 3.59Å; Q46-A49 PolarHBondContact O-N 3.1Å; Q46-A49 VanDerWaalsContact O-N 3.14Å; Q47-A49 VanDerWaalsContact C-N 3.25Å; Q47-A49 PolarHBondContact O-N 2.95Å; A49-Q130 PolarHBondContact O-NE2 2.93Å
50	D	52.6	Low	71.1	Confident	78 Å²	78	83.2 Å²	83.2	42%	0.417	44%	0.44	S	S	.	.	H	α-helix	trans	-96.5	-16.9	-176.9	-141.4	57.5	0	0	0	112.5	Q46 Q47 K56	Q46-D50 WeakPolarHBondContact O-CB 3.26Å; Q46-D50 PolarHBondContact O-N 3.05Å; Q47-D50 PolarHBondContact O-N 2.78Å; D50-K56 PolarHBondContact O-NZ 3.23Å; D50-K56 IonicContact OD1-NZ 3.49Å; D50-K56 WeakPolarHBondContact OD2-CE 3.4Å; D50-K56 IonicContact OD2-NZ 3.87Å; D50-K56 PolarHBondContact OD2-NZ 2.93Å
51	E	54.3	Low	72.3	Confident	176 Å²	176	84.5 Å²	84.5	82%	0.822	44%	0.442	S	S	*	.	S	Bend	trans	-80.7	-27	173	-68.6	-178.5	146.5	0	0	112.8	Q47	Q47-E51 PolarHBondContact O-N 3.33Å
52	D	67.9	Low	73.5	Confident	139 Å²	139	81 Å²	81	74%	0.743	43%	0.431	S	S	*	.	S	Bend	trans	-104.8	10.8	-172.7	-124.6	2.9	0	0	0	113.6	F54	D52-F54 PolarHBondContact O-N 2.94Å
53	D	84.6	Confident	74.9	Confident	12 Å²	12	81.4 Å²	81.4	6%	0.064	45%	0.446	C	S	.	.			trans	-89.6	92.1	-176.2	-173.8	19.2	0	0	0	114.2	A55 K56 Y59 S128 Q130	D53-A55 PolarHBondContact O-N 2.95Å; D53-A55 PolarHBondContact OD1-N 2.82Å; D53-K56 PolarHBondContact O-N 3.5Å; D53-Y59 VanDerWaalsContact OD2-CE1 3.26Å; D53-Y59 WeakPolarHBondContact OD2-CE1 3.47Å; D53-Y59 PolarHBondContact OD2-OH 2.82Å; D53-S128 WeakPolarHBondContact OD1-CB 3.31Å; D53-S128 PolarHBondContact OD1-OG 2.84Å; D53-Q130 HydrophobicContact CB-CG 4.24Å
54	F	88.4	Confident	76.6	Confident	126 Å²	126	85.8 Å²	85.8	55%	0.553	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.9	174.5	72.1	-90.7	0	0	0	115.5	D52	D52-F54 PolarHBondContact O-N 2.94Å
55	A	89.3	Confident	78.5	Confident	1 Å²	1	87.5 Å²	87.5	1%	0.008	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	8.6	-179.1	0	0	0	0	0	114	D53 D57 R58 Y59 M131	D53-A55 PolarHBondContact O-N 2.95Å; D53-A55 PolarHBondContact OD1-N 2.82Å; A55-D57 VanDerWaalsContact C-N 3.32Å; A55-D57 PolarHBondContact O-N 3.49Å; A55-R58 WeakPolarHBondContact O-CA 3.34Å; A55-R58 VanDerWaalsContact O-CB 3.23Å; A55-R58 WeakPolarHBondContact O-CB 3.5Å; A55-R58 PolarHBondContact O-N 3.46Å; A55-Y59 HydrophobicContact CB-CE1 4.48Å; A55-Y59 WeakPolarHBondContact O-CD1 3.41Å; A55-M131 HydrophobicContact CB-CB 4.32Å; A55-M131 HydrophobicContact CB-SD 4.3Å
56	K	88.8	Confident	80.3	Confident	96 Å²	96	87.8 Å²	87.8	42%	0.417	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-52.7	-42.3	-173.1	-150.1	165	-163.9	165.9	0	114.3	D50 D53 R58	D50-K56 PolarHBondContact O-NZ 3.23Å; D50-K56 IonicContact OD1-NZ 3.49Å; D50-K56 WeakPolarHBondContact OD2-CE 3.4Å; D50-K56 IonicContact OD2-NZ 3.87Å; D50-K56 PolarHBondContact OD2-NZ 2.93Å; D53-K56 PolarHBondContact O-N 3.5Å; K56-R58 PolarHBondContact O-N 2.95Å
57	D	92.3	Very high	82.2	Confident	150 Å²	150	87.2 Å²	87.2	80%	0.802	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-77.8	7.2	177.9	-59.4	-48.2	0	0	0	114.6	A55	A55-D57 VanDerWaalsContact C-N 3.32Å; A55-D57 PolarHBondContact O-N 3.49Å
58	R	94	Very high	84.2	Confident	67 Å²	67	85.8 Å²	85.8	25%	0.253	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-109.6	-9.6	-177.4	-56	179.9	-179.9	-115.9	2.3	113.2	A55 K56 R126 M131 R171 I172	A55-R58 WeakPolarHBondContact O-CA 3.34Å; A55-R58 VanDerWaalsContact O-CB 3.23Å; A55-R58 WeakPolarHBondContact O-CB 3.5Å; A55-R58 PolarHBondContact O-N 3.46Å; K56-R58 PolarHBondContact O-N 2.95Å; R58-R126 WeakPolarHBondContact CD-O 3.49Å; R58-R126 PolarHBondContact NH1-O 3.3Å; R58-M131 HydrophobicContact CB-CE 4.32Å; R58-M131 HydrophobicContact CB-SD 4.22Å; R58-R171 HydrophobicContact CB-CG 3.98Å; R58-R171 HydrophobicContact CG-CG 4.27Å; R58-R171 CarbonylContact O-C 3.47Å; R58-R171 WeakPolarHBondContact O-CA 3.29Å; R58-R171 VanDerWaalsContact O-CB 3.31Å; R58-R171 WeakPolarHBondContact O-CB 3.32Å; R58-I172 PolarHBondContact O-N 3.49Å
59	Y	96.3	Very high	86.2	Confident	38 Å²	38	89.7 Å²	89.7	15%	0.149	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	166.7	178.4	73.5	-91.4	0	0	0	112.6	D53 A55 Q130 M131 F134 I172	D53-Y59 VanDerWaalsContact OD2-CE1 3.26Å; D53-Y59 WeakPolarHBondContact OD2-CE1 3.47Å; D53-Y59 PolarHBondContact OD2-OH 2.82Å; A55-Y59 HydrophobicContact CB-CE1 4.48Å; A55-Y59 WeakPolarHBondContact O-CD1 3.41Å; Y59-Q130 VanDerWaalsContact OH-CB 3.32Å; Y59-Q130 WeakPolarHBondContact OH-CB 3.33Å; Y59-M131 HydrophobicContact CD1-CB 3.48Å; Y59-M131 VanDerWaalsContact CD1-CB 3.48Å; Y59-M131 HydrophobicContact CD1-CG 3.55Å; Y59-M131 HydrophobicContact CD1-SD 4.3Å; Y59-M131 HydrophobicContact CE1-CB 3.68Å; Y59-M131 HydrophobicContact CE1-CG 4.28Å; Y59-M131 HydrophobicContact CG-CB 4.23Å; Y59-M131 HydrophobicContact CG-CG 3.98Å; Y59-F134 HydrophobicContact CD2-CB 3.56Å; Y59-F134 AromaticContact CD2-CD1 3.44Å; Y59-F134 HydrophobicContact CD2-CD1 3.44Å; Y59-F134 VanDerWaalsContact CD2-CD1 3.44Å; Y59-F134 AromaticContact CD2-CD2 3.83Å; Y59-F134 HydrophobicContact CD2-CD2 3.83Å; Y59-F134 HydrophobicContact CD2-CE1 4.06Å; Y59-F134 HydrophobicContact CD2-CE2 4.41Å; Y59-F134 AromaticContact CD2-CG 3.3Å; Y59-F134 HydrophobicContact CD2-CG 3.3Å; Y59-F134 HydrophobicContact CE2-CB 3.59Å; Y59-F134 HydrophobicContact CE2-CD1 4.32Å; Y59-F134 HydrophobicContact CE2-CD2 4.05Å; Y59-F134 AromaticContact CE2-CG 3.73Å; Y59-F134 HydrophobicContact CE2-CG 3.73Å; Y59-F134 HydrophobicContact CG-CB 4.39Å; Y59-F134 HydrophobicContact CG-CD1 4.01Å; Y59-F134 HydrophobicContact CG-CG 4.25Å; Y59-I172 WeakPolarHBondContact CA-O 3.23Å; Y59-I172 WeakPolarHBondContact CB-O 3.3Å
60	G	95.8	Very high	88.1	Confident	17 Å²	17	98 Å²	98	18%	0.175	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.1	-169.3	172.9	0	0	0	0	0	112.7	F134 I172 F173 V174	G60-F134 VanDerWaalsContact O-CZ 3.29Å; G60-F134 WeakPolarHBondContact O-CZ 3.45Å; G60-I172 PolarHBondContact N-O 3.26Å; G60-F173 CarbonylContact O-C 3.58Å; G60-F173 WeakPolarHBondContact O-CA 3.37Å; G60-V174 PolarHBondContact O-N 3.2Å
61	V	96.4	Very high	90	Very high	89 Å²	89	97.9 Å²	97.9	54%	0.539	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.3	167.7	-175.1	0	0	0	0	107.2	V174	V61-V174 HydrophobicContact CG2-CB 4.35Å
62	S	93.7	Very high	91.7	Very high	41 Å²	41	97.7 Å²	97.7	29%	0.287	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-74	157.2	178.6	67.8	0	0	0	0	110.9	V174 I175	S62-V174 PolarHBondContact N-O 3.03Å; S62-V174 PolarHBondContact OG-O 3.28Å; S62-I175 WeakPolarHBondContact OG-CA 3.34Å
63	A	94.2	Very high	92.8	Very high	87 Å²	87	97.2 Å²	97.2	72%	0.719	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-55.1	149.8	168.4	0	0	0	0	0	111.4	V65	A63-V65 PolarHBondContact O-N 2.84Å
64	M	95.3	Very high	93.2	Very high	135 Å²	135	100.7 Å²	100.7	67%	0.665	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-58.7	125	178.6	-174.5	-171.2	-62.3	0	0	110.3	Q66 Q68	M64-Q66 HydrophobicContact CG-CG 4.1Å; M64-Q66 PolarHBondContact O-N 2.79Å; M64-Q66 VanDerWaalsContact O-N 3.09Å; M64-Q66 HydrophobicContact SD-CG 4.09Å; M64-Q66 PolarHBondContact SD-NE2 3.29Å; M64-Q68 PolarHBondContact O-NE2 2.75Å; M64-Q68 PolarHBondContact O-OE1 3.44Å
65	V	95	Very high	93.5	Very high	89 Å²	89	98.5 Å²	98.5	54%	0.539	53%	0.529	S	S	.	.			trans	-72.5	104.4	179.9	-177	0	0	0	0	109.8	A63	A63-V65 PolarHBondContact O-N 2.84Å
66	Q	95.4	Very high	93.8	Very high	128 Å²	128	99.4 Å²	99.4	60%	0.598	53%	0.534	S	S	*	.	S	Bend	trans	-120.6	35.9	175.5	-50.8	163.2	-23	0	0	109.6	M64 Q68	M64-Q66 HydrophobicContact CG-CG 4.1Å; M64-Q66 PolarHBondContact O-N 2.79Å; M64-Q66 VanDerWaalsContact O-N 3.09Å; M64-Q66 HydrophobicContact SD-CG 4.09Å; M64-Q66 PolarHBondContact SD-NE2 3.29Å; Q66-Q68 HydrophobicContact CB-CG 4.3Å; Q66-Q68 PolarHBondContact O-N 3.32Å
67	S	94.8	Very high	94.1	Very high	110 Å²	110	101.7 Å²	101.7	77%	0.769	54%	0.54	S	S	*	.	S	Bend	trans	58.8	24.3	-178.7	-56.2	0	0	0	0	115.7	Q69	S67-Q69 PolarHBondContact O-N 3.14Å
68	Q	95.3	Very high	94.1	Very high	108 Å²	108	94.5 Å²	94.5	51%	0.505	50%	0.502	S	S	.	.			trans	-70.5	-16.1	-176.5	-45.4	93.2	-33.9	0	0	113.8	M64 Q66	M64-Q68 PolarHBondContact O-NE2 2.75Å; M64-Q68 PolarHBondContact O-OE1 3.44Å; Q66-Q68 HydrophobicContact CB-CG 4.3Å; Q66-Q68 PolarHBondContact O-N 3.32Å
69	Q	92.6	Very high	93.9	Very high	159 Å²	159	94.1 Å²	94.1	74%	0.743	50%	0.503	S	S	*	.			trans	-141.1	150.1	-177.8	-63.6	-176.5	0.3	0	0	110.9	S67 P71	S67-Q69 PolarHBondContact O-N 3.14Å; Q69-P71 WeakPolarHBondContact O-CD 3.17Å
70	K	93.1	Very high	93.8	Very high	211 Å²	211	95.7 Å²	95.7	92%	0.917	51%	0.514	S	S	*	.			trans	-118.7	77.9	168	-66.6	-177	-179.7	-179.3	0	108.7
71	P	91.5	Very high	93.5	Very high	76 Å²	76	94.9 Å²	94.9	49%	0.494	51%	0.506	S	S	.	.			trans	-68	133.9	179.8	29.1	-34.4	0	0	0	110.1	Q69 R73	Q69-P71 WeakPolarHBondContact O-CD 3.17Å; P71-R73 VanDerWaalsContact C-N 3.29Å; P71-R73 HydrophobicContact CB-CG 4.27Å; P71-R73 PolarHBondContact O-N 3.43Å
72	D	91.6	Very high	93.1	Very high	173 Å²	173	93 Å²	93	93%	0.925	50%	0.495	S	S	*	.			trans	-76.2	83.1	173.9	-168.2	12.8	0	0	0	109.7
73	R	90.9	Very high	92.8	Very high	129 Å²	129	94.2 Å²	94.2	49%	0.487	50%	0.501	S	S	.	.			trans	-143.2	114.6	-177.8	-64.8	-175.2	-170.3	170.6	5.8	110.1	P71 L75 W91	P71-R73 VanDerWaalsContact C-N 3.29Å; P71-R73 HydrophobicContact CB-CG 4.27Å; P71-R73 PolarHBondContact O-N 3.43Å; R73-L75 PolarHBondContact O-N 2.79Å; R73-W91 VanDerWaalsContact NH1-CZ2 3.3Å
74	A	92.4	Very high	92.7	Very high	84 Å²	84	97.1 Å²	97.1	69%	0.694	50%	0.5	S	S	*	.			trans	-73.6	115.5	171.2	0	0	0	0	0	110.4	V76	A74-V76 PolarHBondContact O-N 2.92Å
75	L	95.1	Very high	92.4	Very high	80 Å²	80	93.1 Å²	93.1	42%	0.419	48%	0.479	S	S	.	.	B	Isolated β-bridge	trans	-85	106.6	172.2	-60.1	-177.6	0	0	0	109.5	R73 W91 R93	R73-L75 PolarHBondContact O-N 2.79Å; L75-W91 HydrophobicContact CD2-CB 3.83Å; L75-R93 HydrophobicContact CD1-CB 4.06Å
76	V	95.9	Very high	92.3	Very high	21 Å²	21	90.9 Å²	90.9	13%	0.127	47%	0.465	C	S	.	.			trans	-71.1	142.9	177.3	-175.6	0	0	0	0	109.7	A74 D80 L81 K85 I90 W91 L92	A74-V76 PolarHBondContact O-N 2.92Å; V76-D80 HydrophobicContact CG1-CB 3.86Å; V76-L81 HydrophobicContact CG1-CD2 3.93Å; V76-K85 HydrophobicContact CG1-CD 4.12Å; V76-I90 HydrophobicContact CB-CD1 4.39Å; V76-I90 HydrophobicContact CG2-CB 4.03Å; V76-I90 HydrophobicContact CG2-CG2 4.07Å; V76-W91 PolarHBondContact N-O 2.91Å; V76-L92 WeakPolarHBondContact O-CB 3.5Å
77	R	94.8	Very high	92.1	Very high	143 Å²	143	89.8 Å²	89.8	54%	0.54	46%	0.463	S	S	.	.			trans	-80.7	155	176	-56.5	-176.4	178.2	-175.6	2.4	111	E79 D80	R77-E79 HydrophobicContact CB-CG 3.86Å; R77-E79 WeakPolarHBondContact CD-OE1 3.41Å; R77-E79 IonicContact CZ-OE1 2.67Å; R77-E79 IonicContact NE-OE1 2.75Å; R77-E79 IonicContact NH1-OE1 2.78Å; R77-E79 PolarHBondContact NH1-OE1 2.93Å; R77-E79 PolarHBondContact O-N 2.8Å; R77-D80 VanDerWaalsContact CB-OD2 3.29Å; R77-D80 WeakPolarHBondContact CB-OD2 3.13Å; R77-D80 PolarHBondContact N-OD2 2.84Å; R77-D80 PolarHBondContact O-N 2.69Å
78	V	92.3	Very high	92.1	Very high	0 Å²	0	88.4 Å²	88.4	0%	0	45%	0.445	C	S	.	.	S	Bend	trans	-68.1	-25.1	176.5	179	0	0	0	0	111.5	L81 Q112 F115 V117 Q162	V78-L81 HydrophobicContact CB-CD1 4.41Å; V78-L81 HydrophobicContact CG1-CD1 4.26Å; V78-L81 HydrophobicContact CG2-CD1 4.48Å; V78-Q112 HydrophobicContact CB-CB 3.85Å; V78-Q112 HydrophobicContact CG2-CB 3.43Å; V78-Q112 VanDerWaalsContact CG2-CB 3.43Å; V78-Q112 HydrophobicContact CG2-CG 4.41Å; V78-F115 HydrophobicContact CB-CB 4.2Å; V78-F115 HydrophobicContact CG1-CB 3.87Å; V78-V117 HydrophobicContact CG1-CB 4.14Å; V78-V117 HydrophobicContact CG1-CG1 3.88Å; V78-Q162 HydrophobicContact CG1-CG 4.48Å; V78-Q162 WeakPolarHBondContact O-CG 3.46Å; V78-Q162 PolarHBondContact O-NE2 2.63Å
79	E	90.2	Very high	92.1	Very high	59 Å²	59	87.1 Å²	87.1	28%	0.276	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-30	173.3	68.2	-162.8	170.9	0	0	113.3	R77 L81 F115 Q162	R77-E79 HydrophobicContact CB-CG 3.86Å; R77-E79 WeakPolarHBondContact CD-OE1 3.41Å; R77-E79 IonicContact CZ-OE1 2.67Å; R77-E79 IonicContact NE-OE1 2.75Å; R77-E79 IonicContact NH1-OE1 2.78Å; R77-E79 PolarHBondContact NH1-OE1 2.93Å; R77-E79 PolarHBondContact O-N 2.8Å; E79-L81 VanDerWaalsContact C-N 3.27Å; E79-L81 PolarHBondContact O-N 3.09Å; E79-F115 HydrophobicContact CB-CD1 4.4Å; E79-F115 HydrophobicContact CB-CD2 3.74Å; E79-F115 HydrophobicContact CB-CE1 4.4Å; E79-F115 HydrophobicContact CB-CE2 3.74Å; E79-F115 HydrophobicContact CB-CG 4.07Å; E79-F115 HydrophobicContact CB-CZ 4.07Å; E79-F115 WeakPolarHBondContact OE2-CE2 3.44Å; E79-Q162 PolarHBondContact O-NE2 3.35Å
80	D	92.9	Very high	92.3	Very high	70 Å²	70	80 Å²	80	37%	0.374	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-7.3	-179.3	-57.7	-43.6	0	0	0	113.8	V76 R77 T82 K85	V76-D80 HydrophobicContact CG1-CB 3.86Å; R77-D80 VanDerWaalsContact CB-OD2 3.29Å; R77-D80 WeakPolarHBondContact CB-OD2 3.13Å; R77-D80 PolarHBondContact N-OD2 2.84Å; R77-D80 PolarHBondContact O-N 2.69Å; D80-T82 PolarHBondContact O-N 2.84Å; D80-T82 PolarHBondContact O-OG1 2.88Å; D80-K85 WeakPolarHBondContact O-CD 3.41Å
81	L	90.8	Very high	92.5	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	37%	0.369	C	S	.	.			trans	-76.6	71	-172.9	-58.9	-178.1	0	0	0	112	V76 V78 E79 I90 V117 Q162 V165 L167	V76-L81 HydrophobicContact CG1-CD2 3.93Å; V78-L81 HydrophobicContact CB-CD1 4.41Å; V78-L81 HydrophobicContact CG1-CD1 4.26Å; V78-L81 HydrophobicContact CG2-CD1 4.48Å; E79-L81 VanDerWaalsContact C-N 3.27Å; E79-L81 PolarHBondContact O-N 3.09Å; L81-I90 HydrophobicContact CD2-CD1 3.3Å; L81-V117 HydrophobicContact CD1-CB 4.16Å; L81-V117 HydrophobicContact CD1-CG1 3.78Å; L81-V117 HydrophobicContact CD1-CG2 4.13Å; L81-Q162 HydrophobicContact CB-CG 4.17Å; L81-Q162 PolarHBondContact O-OE1 2.93Å; L81-V165 HydrophobicContact CB-CG2 4.39Å; L81-V165 VanDerWaalsContact O-CG2 3.25Å; L81-V165 WeakPolarHBondContact O-CG2 3.3Å; L81-L167 HydrophobicContact CD1-CD1 4.09Å; L81-L167 HydrophobicContact CD1-CD2 4.34Å
82	T	87.8	Confident	92.7	Very high	51 Å²	51	67.6 Å²	67.6	31%	0.313	35%	0.346	S	S	.	.			trans	-104.6	163.5	-175.5	52.4	0	0	0	0	111.2	D80 Q84 K85	D80-T82 PolarHBondContact O-N 2.84Å; D80-T82 PolarHBondContact O-OG1 2.88Å; T82-Q84 VanDerWaalsContact CB-OE1 3.32Å; T82-Q84 PolarHBondContact O-N 3.36Å; T82-Q84 PolarHBondContact OG1-OE1 2.68Å; T82-K85 PolarHBondContact O-N 2.78Å
83	P	87.6	Confident	93	Very high	65 Å²	65	63.5 Å²	63.5	42%	0.422	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-54.3	-22.8	178.4	-29.4	37.4	0	0	0	115.1	K85 V86 D164	P83-K85 PolarHBondContact O-N 3.01Å; P83-V86 WeakPolarHBondContact O-CB 3.41Å; P83-V86 VanDerWaalsContact O-CG2 3.26Å; P83-V86 WeakPolarHBondContact O-CG2 2.92Å; P83-V86 PolarHBondContact O-N 3.24Å; P83-D164 HydrophobicContact CG-CB 4.09Å
84	Q	90.6	Very high	93.2	Very high	148 Å²	148	57.5 Å²	57.5	69%	0.692	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-64.3	-13.8	173.6	-68.2	82	-17.3	0	0	113.6	T82 Q88	T82-Q84 VanDerWaalsContact CB-OE1 3.32Å; T82-Q84 PolarHBondContact O-N 3.36Å; T82-Q84 PolarHBondContact OG1-OE1 2.68Å; Q84-Q88 PolarHBondContact O-NE2 3.44Å
85	K	90.5	Very high	93.4	Very high	52 Å²	52	56 Å²	56	23%	0.226	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-102.2	3	176.9	-67.6	-167.9	171.1	-69.1	0	114.6	V76 D80 T82 P83 Q88 V150	V76-K85 HydrophobicContact CG1-CD 4.12Å; D80-K85 WeakPolarHBondContact O-CD 3.41Å; T82-K85 PolarHBondContact O-N 2.78Å; P83-K85 PolarHBondContact O-N 3.01Å; K85-Q88 VanDerWaalsContact O-CB 3.23Å; K85-Q88 WeakPolarHBondContact O-CB 3.47Å; K85-Q88 WeakPolarHBondContact O-CG 3.35Å; K85-Q88 PolarHBondContact O-N 2.7Å; K85-Q88 VanDerWaalsContact O-N 3.14Å; K85-V150 HydrophobicContact CB-CG2 4.3Å; K85-V150 WeakPolarHBondContact O-CB 3.48Å
86	V	91.9	Very high	93.3	Very high	42 Å²	42	52.1 Å²	52.1	26%	0.255	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	141.9	179.9	172.2	0	0	0	0	111.3	P83 Q88 V150 K152 V165	P83-V86 WeakPolarHBondContact O-CB 3.41Å; P83-V86 VanDerWaalsContact O-CG2 3.26Å; P83-V86 WeakPolarHBondContact O-CG2 2.92Å; P83-V86 PolarHBondContact O-N 3.24Å; V86-Q88 PolarHBondContact O-N 2.93Å; V86-V150 HydrophobicContact CG2-CG1 4.38Å; V86-K152 HydrophobicContact CG1-CB 4.29Å; V86-K152 HydrophobicContact CG2-CB 3.99Å; V86-V165 HydrophobicContact CG2-CG1 3.88Å
87	D	92.4	Very high	93	Very high	104 Å²	104	52.2 Å²	52.2	56%	0.556	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	21.1	-173.6	-59.4	-52.8	0	0	0	114.9	M149 V150 R151	D87-M149 VanDerWaalsContact O-SD 3.41Å; D87-V150 PolarHBondContact N-O 2.87Å; D87-R151 IonicContact OD1-NH1 2.88Å; D87-R151 PolarHBondContact OD1-NH1 2.9Å
88	Q	94.3	Very high	92.8	Very high	81 Å²	81	47.3 Å²	47.3	38%	0.379	24%	0.237	S	C	.	.			trans	-93.7	133.4	165	-59	174.4	12.8	0	0	110.7	Q84 K85 V86 I90 V150	Q84-Q88 PolarHBondContact O-NE2 3.44Å; K85-Q88 VanDerWaalsContact O-CB 3.23Å; K85-Q88 WeakPolarHBondContact O-CB 3.47Å; K85-Q88 WeakPolarHBondContact O-CG 3.35Å; K85-Q88 PolarHBondContact O-N 2.7Å; K85-Q88 VanDerWaalsContact O-N 3.14Å; V86-Q88 PolarHBondContact O-N 2.93Å; Q88-I90 HydrophobicContact CB-CG2 4.19Å; Q88-V150 PolarHBondContact O-N 3.29Å; Q88-V150 VanDerWaalsContact O-N 3.09Å
89	L	95.1	Very high	92.8	Very high	82 Å²	82	49.1 Å²	49.1	43%	0.429	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	120.4	166.7	-173.1	71	0	0	0	108.7	E147 M149 E170	L89-E147 HydrophobicContact CD1-CG 4.08Å; L89-E147 HydrophobicContact CD2-CG 4.47Å; L89-E147 HydrophobicContact CG-CG 4.21Å; L89-M149 HydrophobicContact CB-CE 3.99Å; L89-M149 HydrophobicContact CB-SD 4.49Å; L89-M149 HydrophobicContact CD1-CE 4.29Å; L89-E170 HydrophobicContact CD1-CG 4.1Å
90	I	96.3	Very high	93	Very high	10 Å²	10	55.5 Å²	55.5	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	154.3	-175.3	60.8	165.6	0	0	0	112	V76 L81 Q88 L92 E147 A148 V150 L167	V76-I90 HydrophobicContact CB-CD1 4.39Å; V76-I90 HydrophobicContact CG2-CB 4.03Å; V76-I90 HydrophobicContact CG2-CG2 4.07Å; L81-I90 HydrophobicContact CD2-CD1 3.3Å; Q88-I90 HydrophobicContact CB-CG2 4.19Å; I90-L92 HydrophobicContact CD1-CD2 4.09Å; I90-E147 WeakPolarHBondContact O-CA 3.26Å; I90-A148 WeakPolarHBondContact CG1-O 3.46Å; I90-A148 PolarHBondContact N-O 3.45Å; I90-A148 PolarHBondContact O-N 3.32Å; I90-V150 HydrophobicContact CD1-CG2 3.57Å; I90-V150 HydrophobicContact CG1-CG2 3.9Å; I90-V150 HydrophobicContact CG2-CG2 4.47Å; I90-L167 HydrophobicContact CD1-CD2 4.07Å
91	W	97.1	Very high	92.9	Very high	25 Å²	25	55.1 Å²	55.1	10%	0.095	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144.8	162.3	-78.3	79.1	0	0	0	110.4	R73 L75 V76 D145 V146 E147 F173	R73-W91 VanDerWaalsContact NH1-CZ2 3.3Å; L75-W91 HydrophobicContact CD2-CB 3.83Å; V76-W91 PolarHBondContact N-O 2.91Å; W91-D145 HydrophobicContact CE3-CB 4.28Å; W91-D145 HydrophobicContact CZ3-CB 4.03Å; W91-V146 WeakPolarHBondContact CA-O 3.35Å; W91-E147 HydrophobicContact CD2-CB 3.97Å; W91-E147 HydrophobicContact CD2-CG 4.27Å; W91-E147 VanDerWaalsContact CE2-CD 3.48Å; W91-E147 HydrophobicContact CE3-CB 4.32Å; W91-E147 HydrophobicContact CG-CG 4.46Å; W91-E147 HydrophobicContact CH2-CB 4.06Å; W91-E147 HydrophobicContact CZ2-CB 3.69Å; W91-E147 VanDerWaalsContact CZ2-CD 3.46Å; W91-E147 HydrophobicContact CZ2-CG 3.96Å; W91-E147 HydrophobicContact CZ3-CB 4.36Å; W91-E147 VanDerWaalsContact NE1-CD 3.25Å; W91-E147 PolarHBondContact NE1-OE1 3.21Å; W91-F173 HydrophobicContact CH2-CD2 4.14Å; W91-F173 HydrophobicContact CH2-CE2 4.02Å; W91-F173 HydrophobicContact CZ3-CD2 4.31Å
92	L	96.6	Very high	92.9	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	155	173.4	65.5	104.9	0	0	0	111.2	V76 I90 A94 L110 D145 V146 L167	V76-L92 WeakPolarHBondContact O-CB 3.5Å; I90-L92 HydrophobicContact CD1-CD2 4.09Å; L92-A94 HydrophobicContact CD1-CB 3.71Å; L92-L110 HydrophobicContact CD1-CD1 4.11Å; L92-D145 WeakPolarHBondContact O-CA 3.38Å; L92-V146 HydrophobicContact CD1-CB 4.26Å; L92-V146 HydrophobicContact CG-CB 4.16Å; L92-V146 PolarHBondContact N-O 2.92Å; L92-V146 PolarHBondContact O-N 3.33Å; L92-L167 HydrophobicContact CD2-CD1 3.58Å; L92-L167 HydrophobicContact CD2-CD2 4.35Å
93	R	97.4	Very high	93	Very high	87 Å²	87	64 Å²	64	33%	0.328	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.5	173.8	179.4	170.7	-70.6	-178.1	-1.7	110.3	L75 Q112 I143 V144 D145	L75-R93 HydrophobicContact CD1-CB 4.06Å; R93-Q112 PolarHBondContact O-NE2 2.62Å; R93-I143 HydrophobicContact CG-CG2 3.76Å; R93-V144 WeakPolarHBondContact CA-O 3.34Å; R93-D145 WeakPolarHBondContact CB-OD1 3.43Å; R93-D145 WeakPolarHBondContact CG-OD1 3.42Å; R93-D145 IonicContact CZ-OD1 2.68Å; R93-D145 IonicContact CZ-OD2 3.05Å; R93-D145 IonicContact NE-OD1 2.93Å; R93-D145 PolarHBondContact NE-OD1 3.26Å; R93-D145 IonicContact NE-OD2 2.82Å; R93-D145 IonicContact NH2-OD1 3.81Å; R93-D145 PolarHBondContact NH2-OD1 3.26Å; R93-D145 IonicContact NH2-OD2 3.3Å; R93-D145 PolarHBondContact NH2-OD2 3.33Å
94	A	96.2	Very high	93.2	Very high	4 Å²	4	68.3 Å²	68.3	3%	0.033	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	165.5	-173.5	0	0	0	0	0	112.3	L92 L110 I143 V144	L92-A94 HydrophobicContact CD1-CB 3.71Å; A94-L110 HydrophobicContact CB-CB 3.94Å; A94-I143 WeakPolarHBondContact O-CA 3.21Å; A94-V144 PolarHBondContact N-O 2.82Å; A94-V144 WeakPolarHBondContact O-CG2 3.34Å; A94-V144 PolarHBondContact O-N 3.04Å
95	R	94.9	Very high	93.4	Very high	51 Å²	51	64.9 Å²	64.9	19%	0.192	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.8	169.2	-71.9	172.5	167.2	-73.7	-22.6	110	H97 L110 R111 E141 S142 I143 R218	R95-H97 PolarHBondContact O-N 3Å; R95-L110 WeakPolarHBondContact O-CA 3.5Å; R95-R111 PolarHBondContact N-O 2.83Å; R95-R111 PolarHBondContact O-N 2.87Å; R95-E141 WeakPolarHBondContact CD-OE2 3.22Å; R95-E141 IonicContact CZ-OE2 3Å; R95-E141 IonicContact NE-OE2 2.62Å; R95-E141 PolarHBondContact NH1-O 2.99Å; R95-E141 IonicContact NH1-OE2 2.64Å; R95-E141 PolarHBondContact NH1-OE2 2.98Å; R95-S142 CarbonylContact C-O 3.35Å; R95-S142 VanDerWaalsContact CA-O 3.32Å; R95-S142 WeakPolarHBondContact CA-O 3.32Å; R95-I143 HydrophobicContact CG-CG1 4.12Å; R95-R218 VanDerWaalsContact NH1-NH1 3.13Å
96	V	94.5	Very high	93.6	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	104.6	166	178.3	0	0	0	0	108	L108 L110 I138 E141 S142 V144	V96-L108 HydrophobicContact CG1-CD2 4.06Å; V96-L108 HydrophobicContact CG2-CD2 4.02Å; V96-L110 HydrophobicContact CG2-CD2 4.1Å; V96-I138 HydrophobicContact CB-CG2 4.28Å; V96-I138 HydrophobicContact CG2-CG2 3.85Å; V96-E141 PolarHBondContact O-N 3.47Å; V96-S142 PolarHBondContact N-O 3.22Å; V96-V144 HydrophobicContact CG2-CG1 3.9Å; V96-V144 HydrophobicContact CG2-CG2 3.8Å
97	H	90.1	Very high	93.8	Very high	23 Å²	23	63.1 Å²	63.1	11%	0.106	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	-49.3	177.4	172.1	42.1	0	0	0	111	R95 V109 R111 L186 P220	R95-H97 PolarHBondContact O-N 3Å; H97-V109 HydrophobicContact CB-CB 4.37Å; H97-V109 HydrophobicContact CB-CG1 4.29Å; H97-V109 WeakPolarHBondContact CB-O 3.37Å; H97-V109 PolarHBondContact N-O 3.25Å; H97-R111 HydrophobicContact CB-CB 4.15Å; H97-L186 WeakPolarHBondContact ND1-CD1 3.49Å; H97-P220 WeakPolarHBondContact CE1-CG 3.03Å; H97-P220 VanDerWaalsContact NE2-CG 3.29Å; H97-P220 WeakPolarHBondContact NE2-CG 3.42Å
98	T	90.4	Very high	94	Very high	40 Å²	40	58.2 Å²	58.2	25%	0.245	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154	173.7	56.1	0	0	0	0	110.1	L108 V109	T98-L108 WeakPolarHBondContact O-CA 3.27Å; T98-V109 PolarHBondContact O-N 3.13Å; T98-V109 WeakPolarHBondContact OG1-CG2 3.33Å
99	S	92.3	Very high	94	Very high	38 Å²	38	55.4 Å²	55.4	27%	0.266	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	138.4	174.3	51.7	0	0	0	0	109.3	F107	S99-F107 CarbonylContact C-O 3.58Å; S99-F107 WeakPolarHBondContact CA-O 3.34Å
100	R	92.8	Very high	94	Very high	193 Å²	193	51.5 Å²	51.5	73%	0.728	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.1	107.1	-177.1	-172.3	-178.4	-173.9	-176.9	5	110.8	F107	R100-F107 PolarHBondContact N-O 2.95Å; R100-F107 PolarHBondContact O-N 3.44Å
101	A	91.8	Very high	93.7	Very high	61 Å²	61	51.4 Å²	51.4	50%	0.504	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	143	172.1	0	0	0	0	0	112.2	Q105 A136	A101-Q105 CarbonylContact C-O 3.57Å; A101-Q105 WeakPolarHBondContact CA-O 3.35Å; A101-A136 HydrophobicContact CB-CB 3.82Å
102	K	90.4	Very high	93.3	Very high	158 Å²	158	52.3 Å²	52.3	69%	0.687	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.3	90.2	171	-169.4	-178.8	179.9	-173.8	0	109.5	K104 Q105	K102-K104 PolarHBondContact O-N 3.44Å; K102-K104 VanDerWaalsContact O-N 3.09Å; K102-Q105 PolarHBondContact N-O 3.49Å; K102-Q105 PolarHBondContact O-N 2.83Å
103	G	89.7	Confident	92.8	Very high	81 Å²	81	57.3 Å²	57.3	84%	0.835	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	-106.9	177.7	0	0	0	0	0	113.2
104	K	91.8	Very high	91.8	Very high	155 Å²	155	54.1 Å²	54.1	67%	0.674	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	4.5	179.9	-67.1	-173.9	-179.4	-178.8	0	114.1	K102 V123	K102-K104 PolarHBondContact O-N 3.44Å; K102-K104 VanDerWaalsContact O-N 3.09Å; K104-V123 HydrophobicContact CB-CB 4.26Å; K104-V123 HydrophobicContact CB-CG2 4.2Å; K104-V123 PolarHBondContact O-N 2.95Å
105	Q	94.4	Very high	91.3	Very high	75 Å²	75	56.1 Å²	56.1	35%	0.35	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.2	-176.1	-70.6	173.9	-36.6	0	0	111.4	A101 K102 F107 L120 V121 A122	A101-Q105 CarbonylContact C-O 3.57Å; A101-Q105 WeakPolarHBondContact CA-O 3.35Å; K102-Q105 PolarHBondContact N-O 3.49Å; K102-Q105 PolarHBondContact O-N 2.83Å; Q105-F107 HydrophobicContact CB-CE2 3.98Å; Q105-L120 HydrophobicContact CB-CD1 4Å; Q105-L120 HydrophobicContact CG-CD1 4.13Å; Q105-V121 CarbonylContact C-O 3.51Å; Q105-V121 WeakPolarHBondContact CA-O 3.3Å; Q105-A122 HydrophobicContact CG-CB 3.98Å
106	C	95.6	Very high	91.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	121.6	165.3	-173.7	0	0	0	0	109.1	L108 V121 V132 A135	C106-L108 HydrophobicContact CB-CD1 4.49Å; C106-V121 HydrophobicContact CB-CB 4.47Å; C106-V121 PolarHBondContact N-O 3.42Å; C106-V121 PolarHBondContact O-N 2.91Å; C106-V132 HydrophobicContact CB-CG1 4Å; C106-A135 HydrophobicContact CB-CB 4.48Å
107	F	95.8	Very high	91.1	Very high	57 Å²	57	54.6 Å²	54.6	25%	0.25	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	135	172.7	-62.4	-96.8	0	0	0	108.5	S99 R100 Q105 Q118 A119 L120	S99-F107 CarbonylContact C-O 3.58Å; S99-F107 WeakPolarHBondContact CA-O 3.34Å; R100-F107 PolarHBondContact N-O 2.95Å; R100-F107 PolarHBondContact O-N 3.44Å; Q105-F107 HydrophobicContact CB-CE2 3.98Å; F107-Q118 HydrophobicContact CD1-CG 4.48Å; F107-A119 CarbonylContact C-O 3.53Å; F107-A119 WeakPolarHBondContact CA-O 3.46Å; F107-L120 HydrophobicContact CD1-CD1 4.01Å; F107-L120 HydrophobicContact CD2-CD1 4.37Å; F107-L120 HydrophobicContact CE1-CD1 3.8Å; F107-L120 HydrophobicContact CE1-CD2 4.44Å; F107-L120 HydrophobicContact CE2-CD1 4.16Å; F107-L120 HydrophobicContact CG-CD1 4.29Å; F107-L120 HydrophobicContact CZ-CD1 3.87Å
108	L	95.9	Very high	91.4	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.8	175.1	-58.8	91.5	0	0	0	109	V96 T98 C106 L110 A119 V121 A135 I169 I172	V96-L108 HydrophobicContact CG1-CD2 4.06Å; V96-L108 HydrophobicContact CG2-CD2 4.02Å; T98-L108 WeakPolarHBondContact O-CA 3.27Å; C106-L108 HydrophobicContact CB-CD1 4.49Å; L108-L110 HydrophobicContact CB-CD2 4.17Å; L108-A119 PolarHBondContact N-O 3.34Å; L108-A119 PolarHBondContact O-N 3Å; L108-V121 HydrophobicContact CD1-CG2 3.89Å; L108-A135 HydrophobicContact CD1-CB 4.3Å; L108-I169 HydrophobicContact CD1-CD1 4.27Å; L108-I172 HydrophobicContact CD2-CD1 4.13Å
109	V	94.4	Very high	91.7	Very high	23 Å²	23	53.5 Å²	53.5	14%	0.139	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	110.5	165.6	179.2	0	0	0	0	107.4	H97 T98 N116	H97-V109 HydrophobicContact CB-CB 4.37Å; H97-V109 HydrophobicContact CB-CG1 4.29Å; H97-V109 WeakPolarHBondContact CB-O 3.37Å; H97-V109 PolarHBondContact N-O 3.25Å; T98-V109 PolarHBondContact O-N 3.13Å; T98-V109 WeakPolarHBondContact OG1-CG2 3.33Å; V109-N116 HydrophobicContact CG1-CB 3.92Å
110	L	94.9	Very high	91.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.6	178.3	-60.5	-175.3	0	0	0	109.1	L92 A94 R95 V96 L108 N116 V117 A119 V144 V146 L167	L92-L110 HydrophobicContact CD1-CD1 4.11Å; A94-L110 HydrophobicContact CB-CB 3.94Å; R95-L110 WeakPolarHBondContact O-CA 3.5Å; V96-L110 HydrophobicContact CG2-CD2 4.1Å; L108-L110 HydrophobicContact CB-CD2 4.17Å; L110-N116 CarbonylContact O-C 3.59Å; L110-N116 WeakPolarHBondContact O-CA 3.49Å; L110-N116 WeakPolarHBondContact O-CB 3.5Å; L110-V117 HydrophobicContact CB-CG1 4.15Å; L110-V117 PolarHBondContact N-O 2.67Å; L110-V117 PolarHBondContact O-N 2.86Å; L110-A119 HydrophobicContact CD1-CB 3.57Å; L110-A119 HydrophobicContact CG-CB 3.84Å; L110-V144 HydrophobicContact CD2-CG2 3.97Å; L110-V146 HydrophobicContact CD1-CB 4.33Å; L110-V146 HydrophobicContact CD1-CG1 4.25Å; L110-V146 HydrophobicContact CD1-CG2 3.93Å; L110-L167 HydrophobicContact CD1-CD1 4.28Å
111	R	90.7	Very high	92	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.8	-171.5	-173.8	-176.8	65.9	80.8	-9.1	111.8	R95 H97 Q113 F115 N116 E141 R218	R95-R111 PolarHBondContact N-O 2.83Å; R95-R111 PolarHBondContact O-N 2.87Å; H97-R111 HydrophobicContact CB-CB 4.15Å; R111-Q113 PolarHBondContact NH1-O 2.73Å; R111-F115 CarbonylContact C-O 3.28Å; R111-F115 WeakPolarHBondContact CA-O 3.22Å; R111-F115 WeakPolarHBondContact CG-O 3.37Å; R111-N116 HydrophobicContact CB-CB 4.17Å; R111-N116 HydrophobicContact CG-CB 4.22Å; R111-E141 IonicContact CZ-OE1 2.67Å; R111-E141 IonicContact NE-OE1 2.97Å; R111-E141 VanDerWaalsContact NH2-CD 3.32Å; R111-E141 IonicContact NH2-OE1 3.66Å; R111-E141 PolarHBondContact NH2-OE1 3.4Å; R111-E141 IonicContact NH2-OE2 3.8Å; R111-E141 PolarHBondContact NH2-OE2 2.67Å; R111-E141 VanDerWaalsContact NH2-OE2 3.15Å; R111-R218 PolarHBondContact NH1-O 3.27Å; R111-R218 PolarHBondContact NH2-O 3.4Å; R111-R218 VanDerWaalsContact NH2-O 3.11Å
112	Q	90.1	Very high	92.1	Very high	45 Å²	45	42.2 Å²	42.2	21%	0.21	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	115.3	175	-171.3	-174.2	77.6	0	0	108.1	V78 R93 Q114 F115	V78-Q112 HydrophobicContact CB-CB 3.85Å; V78-Q112 HydrophobicContact CG2-CB 3.43Å; V78-Q112 VanDerWaalsContact CG2-CB 3.43Å; V78-Q112 HydrophobicContact CG2-CG 4.41Å; R93-Q112 PolarHBondContact O-NE2 2.62Å; Q112-Q114 PolarHBondContact O-N 3.22Å; Q112-F115 PolarHBondContact N-O 2.68Å; Q112-F115 PolarHBondContact O-N 3Å
113	Q	84.1	Confident	92.2	Very high	104 Å²	104	37 Å²	37	49%	0.486	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	-120.4	-169.8	-54.8	177	3.1	0	0	110.8	R111	R111-Q113 PolarHBondContact NH1-O 2.73Å
114	Q	77.8	Confident	92.2	Very high	21 Å²	21	34.8 Å²	34.8	10%	0.098	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-8.7	179.7	72.7	-169.4	24.1	0	0	115.1	Q112 T223 R230 E357	Q112-Q114 PolarHBondContact O-N 3.22Å; Q114-T223 HydrophobicContact CB-CG2 3.62Å; Q114-R230 VanDerWaalsContact CD-NH1 3.32Å; Q114-E357 PolarHBondContact NE2-OE1 3.36Å
115	F	85.1	Confident	91.8	Very high	46 Å²	46	35 Å²	35	20%	0.202	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	144.9	-176.8	-56.5	-77	0	0	0	111.5	V78 E79 R111 Q112 S161	V78-F115 HydrophobicContact CB-CB 4.2Å; V78-F115 HydrophobicContact CG1-CB 3.87Å; E79-F115 HydrophobicContact CB-CD1 4.4Å; E79-F115 HydrophobicContact CB-CD2 3.74Å; E79-F115 HydrophobicContact CB-CE1 4.4Å; E79-F115 HydrophobicContact CB-CE2 3.74Å; E79-F115 HydrophobicContact CB-CG 4.07Å; E79-F115 HydrophobicContact CB-CZ 4.07Å; E79-F115 WeakPolarHBondContact OE2-CE2 3.44Å; R111-F115 CarbonylContact C-O 3.28Å; R111-F115 WeakPolarHBondContact CA-O 3.22Å; R111-F115 WeakPolarHBondContact CG-O 3.37Å; Q112-F115 PolarHBondContact N-O 2.68Å; Q112-F115 PolarHBondContact O-N 3Å; F115-S161 WeakPolarHBondContact CA-OG 3.46Å
116	N	90.7	Very high	91.4	Very high	19 Å²	19	37.7 Å²	37.7	10%	0.102	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.4	176	63.9	-12.2	0	0	0	112.6	V109 L110 R111 S159 C160 S161 Q162	V109-N116 HydrophobicContact CG1-CB 3.92Å; L110-N116 CarbonylContact O-C 3.59Å; L110-N116 WeakPolarHBondContact O-CA 3.49Å; L110-N116 WeakPolarHBondContact O-CB 3.5Å; R111-N116 HydrophobicContact CB-CB 4.17Å; R111-N116 HydrophobicContact CG-CB 4.22Å; N116-S159 PolarHBondContact ND2-O 2.9Å; N116-C160 WeakPolarHBondContact OD1-CA 3.49Å; N116-S161 PolarHBondContact N-OG 3.47Å; N116-S161 PolarHBondContact O-N 2.84Å; N116-S161 PolarHBondContact O-OG 2.96Å; N116-S161 VanDerWaalsContact O-OG 3.05Å; N116-S161 PolarHBondContact OD1-N 3.33Å; N116-Q162 PolarHBondContact O-N 2.68Å; N116-Q162 VanDerWaalsContact O-N 3.1Å
117	V	94.3	Very high	91.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	147.8	-175.8	62.1	0	0	0	0	109.7	V78 L81 L110 Q162 L167	V78-V117 HydrophobicContact CG1-CB 4.14Å; V78-V117 HydrophobicContact CG1-CG1 3.88Å; L81-V117 HydrophobicContact CD1-CB 4.16Å; L81-V117 HydrophobicContact CD1-CG1 3.78Å; L81-V117 HydrophobicContact CD1-CG2 4.13Å; L110-V117 HydrophobicContact CB-CG1 4.15Å; L110-V117 PolarHBondContact N-O 2.67Å; L110-V117 PolarHBondContact O-N 2.86Å; V117-Q162 HydrophobicContact CB-CB 4.1Å; V117-Q162 HydrophobicContact CB-CG 4.39Å; V117-Q162 HydrophobicContact CG2-CB 4.03Å; V117-L167 HydrophobicContact CG1-CD1 3.56Å; V117-L167 HydrophobicContact CG1-CG 4.44Å; V117-L167 HydrophobicContact CG2-CD1 4.12Å; V117-L167 HydrophobicContact CG2-CG 4.1Å
118	Q	95.8	Very high	91	Very high	40 Å²	40	35.1 Å²	35.1	19%	0.187	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	138.2	172.4	-178.7	166.4	-81.8	0	0	110.8	F107 I157 E166 L167	F107-Q118 HydrophobicContact CD1-CG 4.48Å; Q118-I157 HydrophobicContact CB-CD1 3.61Å; Q118-I157 HydrophobicContact CB-CG2 4.39Å; Q118-I157 HydrophobicContact CG-CD1 4.2Å; Q118-E166 HydrophobicContact CB-CB 4.28Å; Q118-E166 HydrophobicContact CG-CB 4.49Å; Q118-E166 PolarHBondContact NE2-OE2 2.93Å; Q118-E166 WeakPolarHBondContact O-CA 3.41Å; Q118-L167 PolarHBondContact O-N 2.61Å
119	A	96.7	Very high	90.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149.1	170.5	0	0	0	0	0	111.3	F107 L108 L110 L167 I169	F107-A119 CarbonylContact C-O 3.53Å; F107-A119 WeakPolarHBondContact CA-O 3.46Å; L108-A119 PolarHBondContact N-O 3.34Å; L108-A119 PolarHBondContact O-N 3Å; L110-A119 HydrophobicContact CD1-CB 3.57Å; L110-A119 HydrophobicContact CG-CB 3.84Å; A119-L167 CarbonylContact C-O 3.54Å; A119-L167 VanDerWaalsContact CA-O 3.25Å; A119-L167 WeakPolarHBondContact CA-O 3.32Å; A119-L167 HydrophobicContact CB-CB 3.83Å; A119-L167 HydrophobicContact CB-CD1 4.41Å; A119-I169 HydrophobicContact CB-CD1 3.72Å; A119-I169 HydrophobicContact CB-CG1 4Å
120	L	96.4	Very high	90.7	Very high	15 Å²	15	43.4 Å²	43.4	8%	0.079	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.9	-173.2	174.8	59.2	0	0	0	110.5	Q105 F107 A122 L167 I169	Q105-L120 HydrophobicContact CB-CD1 4Å; Q105-L120 HydrophobicContact CG-CD1 4.13Å; F107-L120 HydrophobicContact CD1-CD1 4.01Å; F107-L120 HydrophobicContact CD2-CD1 4.37Å; F107-L120 HydrophobicContact CE1-CD1 3.8Å; F107-L120 HydrophobicContact CE1-CD2 4.44Å; F107-L120 HydrophobicContact CE2-CD1 4.16Å; F107-L120 HydrophobicContact CG-CD1 4.29Å; F107-L120 HydrophobicContact CZ-CD1 3.87Å; L120-A122 HydrophobicContact CD1-CB 4.49Å; L120-A122 HydrophobicContact CG-CB 4.38Å; L120-L167 PolarHBondContact N-O 2.88Å; L120-I169 PolarHBondContact O-N 3.15Å
121	V	95.7	Very high	90.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.8	161.6	-162.7	0	0	0	0	107.7	Q105 C106 L108 A127 M131 V132 A135 I169	Q105-V121 CarbonylContact C-O 3.51Å; Q105-V121 WeakPolarHBondContact CA-O 3.3Å; C106-V121 HydrophobicContact CB-CB 4.47Å; C106-V121 PolarHBondContact N-O 3.42Å; C106-V121 PolarHBondContact O-N 2.91Å; L108-V121 HydrophobicContact CD1-CG2 3.89Å; V121-A127 HydrophobicContact CG1-CB 4.08Å; V121-M131 HydrophobicContact CG1-CE 4.38Å; V121-M131 HydrophobicContact CG1-CG 4.17Å; V121-M131 HydrophobicContact CG1-SD 4.45Å; V121-V132 HydrophobicContact CB-CG2 4.19Å; V121-V132 HydrophobicContact CG1-CG2 3.7Å; V121-A135 HydrophobicContact CG2-CB 3.77Å; V121-I169 HydrophobicContact CG2-CB 4.01Å; V121-I169 HydrophobicContact CG2-CD1 3.8Å; V121-I169 HydrophobicContact CG2-CG1 4.37Å; V121-I169 HydrophobicContact CG2-CG2 4.14Å
122	A	94.2	Very high	90.8	Very high	40 Å²	40	43.4 Å²	43.4	33%	0.331	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.7	179.1	0	0	0	0	0	110.5	Q105 L120 G124	Q105-A122 HydrophobicContact CG-CB 3.98Å; L120-A122 HydrophobicContact CD1-CB 4.49Å; L120-A122 HydrophobicContact CG-CB 4.38Å; A122-G124 PolarHBondContact O-N 2.68Å
123	V	92.2	Very high	91	Very high	49 Å²	49	47.7 Å²	47.7	30%	0.297	24%	0.238	S	C	.	.	S	Bend	trans	-64.8	122.1	179.4	-178.5	0	0	0	0	110.6	K104 A127 K129 V132	K104-V123 HydrophobicContact CB-CB 4.26Å; K104-V123 HydrophobicContact CB-CG2 4.2Å; K104-V123 PolarHBondContact O-N 2.95Å; V123-A127 WeakPolarHBondContact CA-O 3.5Å; V123-K129 HydrophobicContact CG1-CG 4.24Å; V123-K129 HydrophobicContact CG2-CG 4.13Å; V123-V132 HydrophobicContact CG2-CB 4.29Å; V123-V132 HydrophobicContact CG2-CG2 3.74Å
124	G	89.7	Confident	91.6	Very high	34 Å²	34	44.8 Å²	44.8	35%	0.351	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	179.6	-165.1	-178.7	0	0	0	0	0	110.8	A122 R126 A127	A122-G124 PolarHBondContact O-N 2.68Å; G124-R126 PolarHBondContact O-N 2.9Å; G124-A127 PolarHBondContact N-O 3.22Å; G124-A127 CarbonylContact O-C 3.56Å; G124-A127 PolarHBondContact O-N 2.78Å
125	D	83.5	Confident	92.4	Very high	158 Å²	158	43.8 Å²	43.8	85%	0.845	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-25.2	-169.3	-42.1	-20.7	0	0	0	115.3
126	R	85.9	Confident	92.8	Very high	132 Å²	132	43 Å²	43	50%	0.498	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-8.1	-178.2	-59.8	-166.4	-170	-147.7	3.1	114.4	R58 G124 E170	R58-R126 WeakPolarHBondContact CD-O 3.49Å; R58-R126 PolarHBondContact NH1-O 3.3Å; G124-R126 PolarHBondContact O-N 2.9Å; R126-E170 WeakPolarHBondContact CD-OE1 3.36Å; R126-E170 VanDerWaalsContact CD-OE2 3.29Å; R126-E170 WeakPolarHBondContact CD-OE2 3.41Å; R126-E170 IonicContact CZ-OE1 2.7Å; R126-E170 IonicContact CZ-OE2 3.3Å; R126-E170 IonicContact NE-OE1 2.64Å; R126-E170 IonicContact NE-OE2 2.89Å; R126-E170 IonicContact NH1-OE1 3.7Å; R126-E170 PolarHBondContact NH1-OE1 3.42Å; R126-E170 IonicContact NH1-OE2 3.36Å; R126-E170 PolarHBondContact NH1-OE2 3.32Å
127	A	90.8	Very high	93	Very high	3 Å²	3	47.5 Å²	47.5	3%	0.025	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-149	127.7	-173.8	0	0	0	0	0	112.8	V121 V123 G124 M131	V121-A127 HydrophobicContact CG1-CB 4.08Å; V123-A127 WeakPolarHBondContact CA-O 3.5Å; G124-A127 PolarHBondContact N-O 3.22Å; G124-A127 CarbonylContact O-C 3.56Å; G124-A127 PolarHBondContact O-N 2.78Å; A127-M131 HydrophobicContact CB-CE 4.47Å; A127-M131 HydrophobicContact CB-CG 4.39Å; A127-M131 HydrophobicContact CB-SD 3.46Å; A127-M131 WeakPolarHBondContact CB-SD 3.35Å
128	S	92.8	Very high	93.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.007	25%	0.247	C	C	.	.			trans	-85.4	174	-179.4	71.1	0	0	0	0	113.3	D53 Q130 M131 V132	D53-S128 WeakPolarHBondContact OD1-CB 3.31Å; D53-S128 PolarHBondContact OD1-OG 2.84Å; S128-Q130 PolarHBondContact O-N 3.1Å; S128-Q130 PolarHBondContact OG-N 3.18Å; S128-M131 PolarHBondContact O-N 3.33Å; S128-M131 PolarHBondContact OG-N 2.89Å; S128-V132 PolarHBondContact O-N 3.3Å; S128-V132 VanDerWaalsContact O-N 3.14Å
129	K	91.8	Very high	93	Very high	153 Å²	153	47 Å²	47	67%	0.665	25%	0.245	S	C	*	.	H	α-helix	trans	-62.6	-34.6	170.7	-61.9	170.7	-173.6	163.5	0	110.8	V123 V132 K133	V123-K129 HydrophobicContact CG1-CG 4.24Å; V123-K129 HydrophobicContact CG2-CG 4.13Å; K129-V132 PolarHBondContact O-N 3.35Å; K129-K133 WeakPolarHBondContact O-CB 3.33Å; K129-K133 PolarHBondContact O-N 2.86Å
130	Q	92.2	Very high	92.8	Very high	44 Å²	44	50.3 Å²	50.3	21%	0.206	26%	0.259	C	S	.	.	H	α-helix	trans	-66.8	-44.4	179	-61.2	84.6	-45.5	0	0	110.2	A49 D53 Y59 S128 V132 K133 F134	A49-Q130 PolarHBondContact O-NE2 2.93Å; D53-Q130 HydrophobicContact CB-CG 4.24Å; Y59-Q130 VanDerWaalsContact OH-CB 3.32Å; Y59-Q130 WeakPolarHBondContact OH-CB 3.33Å; S128-Q130 PolarHBondContact O-N 3.1Å; S128-Q130 PolarHBondContact OG-N 3.18Å; Q130-V132 PolarHBondContact O-N 3.2Å; Q130-K133 CarbonylContact O-C 3.47Å; Q130-K133 WeakPolarHBondContact O-CB 3.43Å; Q130-K133 PolarHBondContact O-N 2.8Å; Q130-F134 WeakPolarHBondContact O-CB 3.5Å; Q130-F134 PolarHBondContact O-N 3.33Å
131	M	94.3	Very high	92.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-44.4	172.6	-173.1	176.3	179.2	0	0	112.8	A55 R58 Y59 V121 A127 S128 K133 F134 A135 I169 I172	A55-M131 HydrophobicContact CB-CB 4.32Å; A55-M131 HydrophobicContact CB-SD 4.3Å; R58-M131 HydrophobicContact CB-CE 4.32Å; R58-M131 HydrophobicContact CB-SD 4.22Å; Y59-M131 HydrophobicContact CD1-CB 3.48Å; Y59-M131 VanDerWaalsContact CD1-CB 3.48Å; Y59-M131 HydrophobicContact CD1-CG 3.55Å; Y59-M131 HydrophobicContact CD1-SD 4.3Å; Y59-M131 HydrophobicContact CE1-CB 3.68Å; Y59-M131 HydrophobicContact CE1-CG 4.28Å; Y59-M131 HydrophobicContact CG-CB 4.23Å; Y59-M131 HydrophobicContact CG-CG 3.98Å; V121-M131 HydrophobicContact CG1-CE 4.38Å; V121-M131 HydrophobicContact CG1-CG 4.17Å; V121-M131 HydrophobicContact CG1-SD 4.45Å; A127-M131 HydrophobicContact CB-CE 4.47Å; A127-M131 HydrophobicContact CB-CG 4.39Å; A127-M131 HydrophobicContact CB-SD 3.46Å; A127-M131 WeakPolarHBondContact CB-SD 3.35Å; S128-M131 PolarHBondContact O-N 3.33Å; S128-M131 PolarHBondContact OG-N 2.89Å; M131-K133 PolarHBondContact O-N 2.83Å; M131-F134 PolarHBondContact O-N 3.11Å; M131-A135 WeakPolarHBondContact O-CB 3.49Å; M131-A135 PolarHBondContact O-N 2.81Å; M131-I169 HydrophobicContact CE-CG2 4.08Å; M131-I172 HydrophobicContact CE-CG2 3.9Å
132	V	94.1	Very high	92.6	Very high	8 Å²	8	49.9 Å²	49.9	5%	0.048	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-39	175.7	171.6	0	0	0	0	111.6	C106 V121 V123 S128 K129 Q130 A136	C106-V132 HydrophobicContact CB-CG1 4Å; V121-V132 HydrophobicContact CB-CG2 4.19Å; V121-V132 HydrophobicContact CG1-CG2 3.7Å; V123-V132 HydrophobicContact CG2-CB 4.29Å; V123-V132 HydrophobicContact CG2-CG2 3.74Å; S128-V132 PolarHBondContact O-N 3.3Å; S128-V132 VanDerWaalsContact O-N 3.14Å; K129-V132 PolarHBondContact O-N 3.35Å; Q130-V132 PolarHBondContact O-N 3.2Å; V132-A136 WeakPolarHBondContact O-CB 3.33Å; V132-A136 PolarHBondContact O-N 3.05Å; V132-A136 VanDerWaalsContact O-N 3.09Å
133	K	93.8	Very high	92.7	Very high	134 Å²	134	49.7 Å²	49.7	58%	0.583	25%	0.25	S	S	*	.	H	α-helix	trans	-67.1	-37.7	174.4	-177.9	-177.4	176.7	-173.5	0	112	K129 Q130 M131 N137	K129-K133 WeakPolarHBondContact O-CB 3.33Å; K129-K133 PolarHBondContact O-N 2.86Å; Q130-K133 CarbonylContact O-C 3.47Å; Q130-K133 WeakPolarHBondContact O-CB 3.43Å; Q130-K133 PolarHBondContact O-N 2.8Å; M131-K133 PolarHBondContact O-N 2.83Å; K133-N137 WeakPolarHBondContact O-CB 3.37Å; K133-N137 VanDerWaalsContact O-CG 3.22Å; K133-N137 PolarHBondContact O-N 3.11Å; K133-N137 PolarHBondContact O-ND2 3.1Å; K133-N137 VanDerWaalsContact O-ND2 3.13Å
134	F	95.4	Very high	93	Very high	44 Å²	44	47.4 Å²	47.4	19%	0.193	24%	0.236	C	C	.	.	H	α-helix	trans	-63.1	-52.9	173.7	174.1	-98.8	0	0	0	110.9	Y59 G60 Q130 M131 A136 N137 I138 V174	Y59-F134 HydrophobicContact CD2-CB 3.56Å; Y59-F134 AromaticContact CD2-CD1 3.44Å; Y59-F134 HydrophobicContact CD2-CD1 3.44Å; Y59-F134 VanDerWaalsContact CD2-CD1 3.44Å; Y59-F134 AromaticContact CD2-CD2 3.83Å; Y59-F134 HydrophobicContact CD2-CD2 3.83Å; Y59-F134 HydrophobicContact CD2-CE1 4.06Å; Y59-F134 HydrophobicContact CD2-CE2 4.41Å; Y59-F134 AromaticContact CD2-CG 3.3Å; Y59-F134 HydrophobicContact CD2-CG 3.3Å; Y59-F134 HydrophobicContact CE2-CB 3.59Å; Y59-F134 HydrophobicContact CE2-CD1 4.32Å; Y59-F134 HydrophobicContact CE2-CD2 4.05Å; Y59-F134 AromaticContact CE2-CG 3.73Å; Y59-F134 HydrophobicContact CE2-CG 3.73Å; Y59-F134 HydrophobicContact CG-CB 4.39Å; Y59-F134 HydrophobicContact CG-CD1 4.01Å; Y59-F134 HydrophobicContact CG-CG 4.25Å; G60-F134 VanDerWaalsContact O-CZ 3.29Å; G60-F134 WeakPolarHBondContact O-CZ 3.45Å; Q130-F134 WeakPolarHBondContact O-CB 3.5Å; Q130-F134 PolarHBondContact O-N 3.33Å; M131-F134 PolarHBondContact O-N 3.11Å; F134-A136 VanDerWaalsContact C-N 3.26Å; F134-A136 PolarHBondContact O-N 3.29Å; F134-N137 CarbonylContact O-C 3.59Å; F134-N137 WeakPolarHBondContact O-CA 3.37Å; F134-N137 PolarHBondContact O-N 2.86Å; F134-I138 HydrophobicContact CD1-CD1 4.28Å; F134-I138 HydrophobicContact CD1-CG1 4.44Å; F134-I138 HydrophobicContact CE1-CD1 3.86Å; F134-I138 HydrophobicContact CE1-CG1 4.13Å; F134-I138 HydrophobicContact CZ-CD1 4.5Å; F134-I138 HydrophobicContact CZ-CG1 4.4Å; F134-I138 PolarHBondContact O-N 2.84Å; F134-V174 HydrophobicContact CE1-CG2 4.21Å; F134-V174 HydrophobicContact CZ-CG2 3.78Å
135	A	94.9	Very high	93.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.4	-37	-179.9	0	0	0	0	0	112.9	C106 L108 V121 M131 N137 I138	C106-A135 HydrophobicContact CB-CB 4.48Å; L108-A135 HydrophobicContact CD1-CB 4.3Å; V121-A135 HydrophobicContact CG2-CB 3.77Å; M131-A135 WeakPolarHBondContact O-CB 3.49Å; M131-A135 PolarHBondContact O-N 2.81Å; A135-N137 VanDerWaalsContact C-N 3.3Å; A135-N137 PolarHBondContact O-N 2.91Å; A135-I138 PolarHBondContact O-N 2.97Å
136	A	94.1	Very high	94	Very high	28 Å²	28	39.2 Å²	39.2	23%	0.231	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-29.8	173.4	0	0	0	0	0	114	A101 V132 F134	A101-A136 HydrophobicContact CB-CB 3.82Å; V132-A136 WeakPolarHBondContact O-CB 3.33Å; V132-A136 PolarHBondContact O-N 3.05Å; V132-A136 VanDerWaalsContact O-N 3.09Å; F134-A136 VanDerWaalsContact C-N 3.26Å; F134-A136 PolarHBondContact O-N 3.29Å
137	N	95	Very high	94.6	Very high	114 Å²	114	33.9 Å²	33.9	61%	0.61	17%	0.165	S	C	*	.	H	α-helix	trans	-91.3	-1.7	-178.6	-70.5	-24	0	0	0	113.6	K133 F134 A135 T139	K133-N137 WeakPolarHBondContact O-CB 3.37Å; K133-N137 VanDerWaalsContact O-CG 3.22Å; K133-N137 PolarHBondContact O-N 3.11Å; K133-N137 PolarHBondContact O-ND2 3.1Å; K133-N137 VanDerWaalsContact O-ND2 3.13Å; F134-N137 CarbonylContact O-C 3.59Å; F134-N137 WeakPolarHBondContact O-CA 3.37Å; F134-N137 PolarHBondContact O-N 2.86Å; A135-N137 VanDerWaalsContact C-N 3.3Å; A135-N137 PolarHBondContact O-N 2.91Å; N137-T139 PolarHBondContact O-N 2.74Å
138	I	95.8	Very high	94.8	Very high	8 Å²	8	33.7 Å²	33.7	4%	0.041	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-65.7	123.9	173.7	-58.2	176.1	0	0	0	108.7	V96 F134 A135 V144 I172 V174	V96-I138 HydrophobicContact CB-CG2 4.28Å; V96-I138 HydrophobicContact CG2-CG2 3.85Å; F134-I138 HydrophobicContact CD1-CD1 4.28Å; F134-I138 HydrophobicContact CD1-CG1 4.44Å; F134-I138 HydrophobicContact CE1-CD1 3.86Å; F134-I138 HydrophobicContact CE1-CG1 4.13Å; F134-I138 HydrophobicContact CZ-CD1 4.5Å; F134-I138 HydrophobicContact CZ-CG1 4.4Å; F134-I138 PolarHBondContact O-N 2.84Å; A135-I138 PolarHBondContact O-N 2.97Å; I138-V144 HydrophobicContact CD1-CG1 4.03Å; I138-V144 HydrophobicContact CG2-CG1 4.37Å; I138-I172 HydrophobicContact CD1-CD1 3.58Å; I138-I172 HydrophobicContact CD1-CG1 4.01Å; I138-V174 HydrophobicContact CD1-CG2 3.81Å; I138-V174 HydrophobicContact CG1-CG2 3.9Å; I138-V174 HydrophobicContact CG2-CG2 4.01Å
139	T	94.5	Very high	95	Very high	21 Å²	21	35.4 Å²	35.4	13%	0.129	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-68.6	141	-179	44	0	0	0	0	111.4	N137 S142 A178 P180	N137-T139 PolarHBondContact O-N 2.74Å; T139-S142 WeakPolarHBondContact O-CB 3.32Å; T139-S142 PolarHBondContact O-N 3.28Å; T139-S142 VanDerWaalsContact O-N 3.1Å; T139-S142 PolarHBondContact O-OG 3.47Å; T139-S142 PolarHBondContact OG1-OG 2.9Å; T139-A178 WeakPolarHBondContact CB-O 3.23Å; T139-A178 PolarHBondContact OG1-O 2.82Å; T139-P180 HydrophobicContact CG2-CB 3.92Å; T139-P180 HydrophobicContact CG2-CG 3.9Å
140	K	91.6	Very high	95.2	Very high	71 Å²	71	28.1 Å²	28.1	31%	0.309	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	143.4	175.6	-67.1	-172.1	-179.7	177.7	0	110.4	S142 A178 L182 L186 E187	K140-S142 PolarHBondContact O-N 2.69Å; K140-A178 WeakPolarHBondContact O-CB 3.41Å; K140-L182 HydrophobicContact CB-CD1 4.09Å; K140-L186 HydrophobicContact CB-CD1 4.36Å; K140-L186 HydrophobicContact CD-CD1 4.33Å; K140-E187 IonicContact NZ-OE1 3.76Å; K140-E187 PolarHBondContact NZ-OE1 2.8Å
141	E	92.1	Very high	95.3	Very high	5 Å²	5	31.2 Å²	31.2	2%	0.023	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	3.9	-174.6	-70.1	-67.7	116.9	0	0	116.9	R95 V96 R111 A178 L182 L186 R218	R95-E141 WeakPolarHBondContact CD-OE2 3.22Å; R95-E141 IonicContact CZ-OE2 3Å; R95-E141 IonicContact NE-OE2 2.62Å; R95-E141 PolarHBondContact NH1-O 2.99Å; R95-E141 IonicContact NH1-OE2 2.64Å; R95-E141 PolarHBondContact NH1-OE2 2.98Å; V96-E141 PolarHBondContact O-N 3.47Å; R111-E141 IonicContact CZ-OE1 2.67Å; R111-E141 IonicContact NE-OE1 2.97Å; R111-E141 VanDerWaalsContact NH2-CD 3.32Å; R111-E141 IonicContact NH2-OE1 3.66Å; R111-E141 PolarHBondContact NH2-OE1 3.4Å; R111-E141 IonicContact NH2-OE2 3.8Å; R111-E141 PolarHBondContact NH2-OE2 2.67Å; R111-E141 VanDerWaalsContact NH2-OE2 3.15Å; E141-A178 HydrophobicContact CB-CB 4.42Å; E141-L182 HydrophobicContact CB-CD1 4.46Å; E141-L182 HydrophobicContact CB-CD2 4.4Å; E141-L182 HydrophobicContact CG-CD1 4.12Å; E141-L186 HydrophobicContact CG-CD1 3.94Å; E141-L186 HydrophobicContact CG-CD2 3.87Å; E141-R218 IonicContact OE2-NH1 4Å
142	S	96.1	Very high	95.3	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.007	18%	0.181	C	C	.	.			trans	-60.8	143.5	164.6	-67.4	0	0	0	0	111.2	R95 V96 T139 K140 S176 A178	R95-S142 CarbonylContact C-O 3.35Å; R95-S142 VanDerWaalsContact CA-O 3.32Å; R95-S142 WeakPolarHBondContact CA-O 3.32Å; V96-S142 PolarHBondContact N-O 3.22Å; T139-S142 WeakPolarHBondContact O-CB 3.32Å; T139-S142 PolarHBondContact O-N 3.28Å; T139-S142 VanDerWaalsContact O-N 3.1Å; T139-S142 PolarHBondContact O-OG 3.47Å; T139-S142 PolarHBondContact OG1-OG 2.9Å; K140-S142 PolarHBondContact O-N 2.69Å; S142-S176 CarbonylContact C-O 3.59Å; S142-S176 WeakPolarHBondContact CA-O 3.26Å; S142-A178 PolarHBondContact OG-N 2.7Å
143	I	97.3	Very high	95.3	Very high	36 Å²	36	39.2 Å²	39.2	19%	0.185	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.5	173.3	-48.1	174.2	0	0	0	108.9	R93 A94 R95 I175 S176	R93-I143 HydrophobicContact CG-CG2 3.76Å; A94-I143 WeakPolarHBondContact O-CA 3.21Å; R95-I143 HydrophobicContact CG-CG1 4.12Å; I143-I175 HydrophobicContact CB-CD1 3.87Å; I143-I175 HydrophobicContact CB-CG1 4Å; I143-I175 HydrophobicContact CD1-CD1 4.42Å; I143-I175 HydrophobicContact CG2-CD1 3.71Å; I143-I175 HydrophobicContact CG2-CG1 3.73Å; I143-I175 PolarHBondContact O-N 3.09Å; I143-S176 PolarHBondContact N-O 3.1Å; I143-S176 PolarHBondContact O-N 2.9Å
144	V	97.9	Very high	95	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142	179.4	-70.5	0	0	0	0	111.5	R93 A94 V96 L110 I138 V146 I172 F173 V174	R93-V144 WeakPolarHBondContact CA-O 3.34Å; A94-V144 PolarHBondContact N-O 2.82Å; A94-V144 WeakPolarHBondContact O-CG2 3.34Å; A94-V144 PolarHBondContact O-N 3.04Å; V96-V144 HydrophobicContact CG2-CG1 3.9Å; V96-V144 HydrophobicContact CG2-CG2 3.8Å; L110-V144 HydrophobicContact CD2-CG2 3.97Å; I138-V144 HydrophobicContact CD1-CG1 4.03Å; I138-V144 HydrophobicContact CG2-CG1 4.37Å; V144-V146 HydrophobicContact CB-CG2 4.1Å; V144-V146 HydrophobicContact CG2-CG2 3.74Å; V144-I172 HydrophobicContact CB-CG1 4.22Å; V144-I172 HydrophobicContact CG1-CD1 4.26Å; V144-I172 HydrophobicContact CG1-CG1 4.11Å; V144-F173 CarbonylContact C-O 3.54Å; V144-F173 WeakPolarHBondContact CA-O 3.39Å; V144-V174 HydrophobicContact CG1-CG2 3.89Å
145	D	97.6	Very high	94.8	Very high	21 Å²	21	48.4 Å²	48.4	11%	0.112	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.1	158.2	-76.8	-2.9	0	0	0	108.2	W91 L92 R93 F173 I175	W91-D145 HydrophobicContact CE3-CB 4.28Å; W91-D145 HydrophobicContact CZ3-CB 4.03Å; L92-D145 WeakPolarHBondContact O-CA 3.38Å; R93-D145 WeakPolarHBondContact CB-OD1 3.43Å; R93-D145 WeakPolarHBondContact CG-OD1 3.42Å; R93-D145 IonicContact CZ-OD1 2.68Å; R93-D145 IonicContact CZ-OD2 3.05Å; R93-D145 IonicContact NE-OD1 2.93Å; R93-D145 PolarHBondContact NE-OD1 3.26Å; R93-D145 IonicContact NE-OD2 2.82Å; R93-D145 IonicContact NH2-OD1 3.81Å; R93-D145 PolarHBondContact NH2-OD1 3.26Å; R93-D145 IonicContact NH2-OD2 3.3Å; R93-D145 PolarHBondContact NH2-OD2 3.33Å; D145-F173 PolarHBondContact N-O 3.3Å; D145-F173 PolarHBondContact O-N 3.49Å; D145-I175 HydrophobicContact CB-CG2 3.93Å
146	V	96.9	Very high	94.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.7	-175.5	174.3	0	0	0	0	109	W91 L92 L110 V144 A148 I169 R171 I172	W91-V146 WeakPolarHBondContact CA-O 3.35Å; L92-V146 HydrophobicContact CD1-CB 4.26Å; L92-V146 HydrophobicContact CG-CB 4.16Å; L92-V146 PolarHBondContact N-O 2.92Å; L92-V146 PolarHBondContact O-N 3.33Å; L110-V146 HydrophobicContact CD1-CB 4.33Å; L110-V146 HydrophobicContact CD1-CG1 4.25Å; L110-V146 HydrophobicContact CD1-CG2 3.93Å; V144-V146 HydrophobicContact CB-CG2 4.1Å; V144-V146 HydrophobicContact CG2-CG2 3.74Å; V146-A148 HydrophobicContact CG1-CB 3.95Å; V146-I169 HydrophobicContact CG1-CD1 3.99Å; V146-I169 HydrophobicContact CG1-CG1 3.78Å; V146-I169 HydrophobicContact CG1-CG2 4.26Å; V146-R171 WeakPolarHBondContact CA-O 3.41Å; V146-I172 HydrophobicContact CG2-CB 4.41Å; V146-I172 HydrophobicContact CG2-CD1 4.16Å; V146-I172 HydrophobicContact CG2-CG1 3.99Å
147	E	97.1	Very high	94.4	Very high	19 Å²	19	53.4 Å²	53.4	9%	0.089	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.3	165.2	-168.1	174.4	-135.1	0	0	107.4	L89 I90 W91 E170 R171	L89-E147 HydrophobicContact CD1-CG 4.08Å; L89-E147 HydrophobicContact CD2-CG 4.47Å; L89-E147 HydrophobicContact CG-CG 4.21Å; I90-E147 WeakPolarHBondContact O-CA 3.26Å; W91-E147 HydrophobicContact CD2-CB 3.97Å; W91-E147 HydrophobicContact CD2-CG 4.27Å; W91-E147 VanDerWaalsContact CE2-CD 3.48Å; W91-E147 HydrophobicContact CE3-CB 4.32Å; W91-E147 HydrophobicContact CG-CG 4.46Å; W91-E147 HydrophobicContact CH2-CB 4.06Å; W91-E147 HydrophobicContact CZ2-CB 3.69Å; W91-E147 VanDerWaalsContact CZ2-CD 3.46Å; W91-E147 HydrophobicContact CZ2-CG 3.96Å; W91-E147 HydrophobicContact CZ3-CB 4.36Å; W91-E147 VanDerWaalsContact NE1-CD 3.25Å; W91-E147 PolarHBondContact NE1-OE1 3.21Å; E147-E170 PolarHBondContact O-N 3.29Å; E147-R171 HydrophobicContact CB-CB 3.91Å; E147-R171 HydrophobicContact CB-CG 4.39Å; E147-R171 PolarHBondContact N-O 3.27Å; E147-R171 PolarHBondContact O-N 3.3Å; E147-R171 VanDerWaalsContact O-N 3.12Å; E147-R171 IonicContact OE1-NH1 3.13Å; E147-R171 PolarHBondContact OE1-NH1 3.41Å; E147-R171 WeakPolarHBondContact OE2-CD 3.38Å; E147-R171 VanDerWaalsContact OE2-CG 3.23Å; E147-R171 WeakPolarHBondContact OE2-CG 3.48Å; E147-R171 IonicContact OE2-CZ 3.77Å; E147-R171 IonicContact OE2-NE 3.23Å; E147-R171 IonicContact OE2-NH1 3.82Å; E147-R171 PolarHBondContact OE2-NH1 3.1Å
148	A	96.1	Very high	93.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	149.2	-173.8	0	0	0	0	0	112.6	I90 V146 L167 H168 I169	I90-A148 WeakPolarHBondContact CG1-O 3.46Å; I90-A148 PolarHBondContact N-O 3.45Å; I90-A148 PolarHBondContact O-N 3.32Å; V146-A148 HydrophobicContact CG1-CB 3.95Å; A148-L167 HydrophobicContact CB-CB 3.9Å; A148-L167 HydrophobicContact CB-CD2 4.3Å; A148-H168 CarbonylContact C-O 3.57Å; A148-H168 WeakPolarHBondContact CA-O 3.41Å; A148-H168 WeakPolarHBondContact CB-O 3.36Å; A148-I169 HydrophobicContact CB-CG1 4.44Å
149	M	95.9	Very high	93.4	Very high	37 Å²	37	59.9 Å²	59.9	18%	0.182	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.4	168.3	-171.5	65.1	67.9	0	0	109.1	D87 L89 H168	D87-M149 VanDerWaalsContact O-SD 3.41Å; L89-M149 HydrophobicContact CB-CE 3.99Å; L89-M149 HydrophobicContact CB-SD 4.49Å; L89-M149 HydrophobicContact CD1-CE 4.29Å; M149-H168 HydrophobicContact CB-CB 4.35Å; M149-H168 PolarHBondContact N-O 3.4Å; M149-H168 PolarHBondContact O-N 3.33Å
150	V	96.4	Very high	93	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	126.4	173.5	-174.6	0	0	0	0	109.1	K85 V86 D87 Q88 I90 V165 L167	K85-V150 HydrophobicContact CB-CG2 4.3Å; K85-V150 WeakPolarHBondContact O-CB 3.48Å; V86-V150 HydrophobicContact CG2-CG1 4.38Å; D87-V150 PolarHBondContact N-O 2.87Å; Q88-V150 PolarHBondContact O-N 3.29Å; Q88-V150 VanDerWaalsContact O-N 3.09Å; I90-V150 HydrophobicContact CD1-CG2 3.57Å; I90-V150 HydrophobicContact CG1-CG2 3.9Å; I90-V150 HydrophobicContact CG2-CG2 4.47Å; V150-V165 HydrophobicContact CG1-CB 3.92Å; V150-V165 HydrophobicContact CG1-CG1 4Å; V150-V165 HydrophobicContact CG1-CG2 4.28Å; V150-L167 HydrophobicContact CG2-CD2 3.92Å
151	R	94.9	Very high	92.7	Very high	108 Å²	108	58.2 Å²	58.2	41%	0.408	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.3	171.9	-67.7	-156	-172.9	-85.5	5.9	111.4	D87 V165 E166 H168	D87-R151 IonicContact OD1-NH1 2.88Å; D87-R151 PolarHBondContact OD1-NH1 2.9Å; R151-V165 CarbonylContact O-C 3.49Å; R151-V165 WeakPolarHBondContact O-CA 3.36Å; R151-V165 WeakPolarHBondContact O-CB 3.49Å; R151-E166 PolarHBondContact N-O 2.88Å; R151-E166 PolarHBondContact O-N 2.94Å; R151-H168 VanDerWaalsContact CD-CE1 3.49Å; R151-H168 WeakPolarHBondContact CD-CE1 3.32Å; R151-H168 PolarHBondContact NE-ND1 3.47Å; R151-H168 VanDerWaalsContact NE-ND1 3.16Å
152	K	94.6	Very high	92.6	Very high	151 Å²	151	59.4 Å²	59.4	66%	0.657	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	142.8	168.8	-171.7	179.7	177.1	-175.4	0	110	V86	V86-K152 HydrophobicContact CG1-CB 4.29Å; V86-K152 HydrophobicContact CG2-CB 3.99Å
153	V	92.9	Very high	92.4	Very high	25 Å²	25	62.4 Å²	62.4	15%	0.152	30%	0.302	C	S	.	.			trans	-101.6	151.1	170.2	-67	0	0	0	0	112.2	Q155 I157 Q163 D164 E166	V153-Q155 WeakPolarHBondContact CG2-O 3.42Å; V153-I157 HydrophobicContact CG1-CD1 4.1Å; V153-I157 HydrophobicContact CG2-CD1 4.44Å; V153-I157 HydrophobicContact CG2-CG1 4.3Å; V153-Q163 VanDerWaalsContact CG2-O 3.31Å; V153-Q163 WeakPolarHBondContact CG2-O 3.29Å; V153-D164 PolarHBondContact N-O 3.11Å; V153-D164 VanDerWaalsContact N-O 3.17Å; V153-E166 HydrophobicContact CG1-CB 4Å; V153-E166 HydrophobicContact CG1-CG 3.71Å
154	E	88.4	Confident	92.2	Very high	204 Å²	204	63.7 Å²	63.7	95%	0.953	31%	0.31	S	S	*	.	S	Bend	trans	-82	-32.3	176.1	-62.7	-177.3	167.6	0	0	112.4
155	Q	90.8	Very high	92	Very high	168 Å²	168	63.8 Å²	63.8	79%	0.785	31%	0.31	S	S	*	.	S	Bend	trans	-113.1	132.6	175.9	-64.9	-177.9	-6.6	0	0	109.1	V153	V153-Q155 WeakPolarHBondContact CG2-O 3.42Å
156	K	90.9	Very high	91.9	Very high	114 Å²	114	64.1 Å²	64.1	50%	0.496	31%	0.311	S	S	.	.			trans	-63.9	134.1	-179.4	-81.2	179.3	171.6	-69.8	0	111.3	E158 Q163 D164	K156-E158 PolarHBondContact O-N 3.31Å; K156-E158 VanDerWaalsContact O-N 3.11Å; K156-Q163 WeakPolarHBondContact CA-O 3.13Å; K156-Q163 HydrophobicContact CB-CB 4.21Å; K156-Q163 HydrophobicContact CG-CB 4.25Å; K156-D164 WeakPolarHBondContact CE-OD1 3.2Å; K156-D164 VanDerWaalsContact NZ-CG 3.27Å; K156-D164 IonicContact NZ-OD1 2.71Å; K156-D164 PolarHBondContact NZ-OD1 3.45Å; K156-D164 IonicContact NZ-OD2 2.66Å; K156-D164 PolarHBondContact NZ-OD2 2.88Å; K156-D164 VanDerWaalsContact NZ-OD2 3.13Å
157	I	89.2	Confident	91.9	Very high	19 Å²	19	64.1 Å²	64.1	10%	0.097	31%	0.311	C	S	.	.			trans	-85.7	82.6	177.5	-55.7	174.1	0	0	0	109.2	Q118 V153 S159 C160 Q163 E166	Q118-I157 HydrophobicContact CB-CD1 3.61Å; Q118-I157 HydrophobicContact CB-CG2 4.39Å; Q118-I157 HydrophobicContact CG-CD1 4.2Å; V153-I157 HydrophobicContact CG1-CD1 4.1Å; V153-I157 HydrophobicContact CG2-CD1 4.44Å; V153-I157 HydrophobicContact CG2-CG1 4.3Å; I157-S159 WeakPolarHBondContact CG2-OG 3.38Å; I157-S159 PolarHBondContact O-N 3.21Å; I157-C160 HydrophobicContact CG2-CB 4.01Å; I157-C160 PolarHBondContact O-N 3.36Å; I157-Q163 PolarHBondContact N-O 3.31Å; I157-E166 HydrophobicContact CD1-CB 4.11Å
158	E	85.8	Confident	91.8	Very high	171 Å²	171	65.7 Å²	65.7	80%	0.799	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.4	-175.5	-60.9	-177.5	160.2	0	0	114.5	K156 C160	K156-E158 PolarHBondContact O-N 3.31Å; K156-E158 VanDerWaalsContact O-N 3.11Å; E158-C160 VanDerWaalsContact C-N 3.28Å; E158-C160 PolarHBondContact O-N 3.03Å
159	S	83.6	Confident	91.8	Very high	86 Å²	86	66.2 Å²	66.2	60%	0.601	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.5	177.1	61.4	0	0	0	0	114.7	N116 I157	N116-S159 PolarHBondContact ND2-O 2.9Å; I157-S159 WeakPolarHBondContact CG2-OG 3.38Å; I157-S159 PolarHBondContact O-N 3.21Å
160	C	86.2	Confident	91.8	Very high	5 Å²	5	65.4 Å²	65.4	3%	0.034	32%	0.317	C	S	.	.	S	Bend	trans	-119	156.1	-179.4	-67.9	0	0	0	0	111.7	N116 I157 E158 Q162 Q163	N116-C160 WeakPolarHBondContact OD1-CA 3.49Å; I157-C160 HydrophobicContact CG2-CB 4.01Å; I157-C160 PolarHBondContact O-N 3.36Å; E158-C160 VanDerWaalsContact C-N 3.28Å; E158-C160 PolarHBondContact O-N 3.03Å; C160-Q162 WeakPolarHBondContact CB-O 3.34Å; C160-Q163 WeakPolarHBondContact O-CG 3.41Å
161	S	85.8	Confident	91.8	Very high	52 Å²	52	69.7 Å²	69.7	36%	0.364	33%	0.333	S	S	.	.	S	Bend	trans	-72.7	-37.3	169.6	65	0	0	0	0	110.9	F115 N116 Q163	F115-S161 WeakPolarHBondContact CA-OG 3.46Å; N116-S161 PolarHBondContact N-OG 3.47Å; N116-S161 PolarHBondContact O-N 2.84Å; N116-S161 PolarHBondContact O-OG 2.96Å; N116-S161 VanDerWaalsContact O-OG 3.05Å; N116-S161 PolarHBondContact OD1-N 3.33Å; S161-Q163 PolarHBondContact O-N 2.81Å
162	Q	90.2	Very high	91.9	Very high	30 Å²	30	64.6 Å²	64.6	14%	0.14	31%	0.314	C	S	.	.			trans	-88	98.5	169.3	-57.3	-61.8	8.6	0	0	109.1	V78 E79 L81 N116 V117 C160 V165	V78-Q162 HydrophobicContact CG1-CG 4.48Å; V78-Q162 WeakPolarHBondContact O-CG 3.46Å; V78-Q162 PolarHBondContact O-NE2 2.63Å; E79-Q162 PolarHBondContact O-NE2 3.35Å; L81-Q162 HydrophobicContact CB-CG 4.17Å; L81-Q162 PolarHBondContact O-OE1 2.93Å; N116-Q162 PolarHBondContact O-N 2.68Å; N116-Q162 VanDerWaalsContact O-N 3.1Å; V117-Q162 HydrophobicContact CB-CB 4.1Å; V117-Q162 HydrophobicContact CB-CG 4.39Å; V117-Q162 HydrophobicContact CG2-CB 4.03Å; C160-Q162 WeakPolarHBondContact CB-O 3.34Å; Q162-V165 HydrophobicContact CB-CG2 4.43Å
163	Q	91.6	Very high	92.1	Very high	64 Å²	64	59.6 Å²	59.6	30%	0.299	29%	0.292	S	S	.	.			trans	-93.9	-25.4	-171.8	-61.2	-170	-18.9	0	0	113.8	V153 K156 I157 C160 S161	V153-Q163 VanDerWaalsContact CG2-O 3.31Å; V153-Q163 WeakPolarHBondContact CG2-O 3.29Å; K156-Q163 WeakPolarHBondContact CA-O 3.13Å; K156-Q163 HydrophobicContact CB-CB 4.21Å; K156-Q163 HydrophobicContact CG-CB 4.25Å; I157-Q163 PolarHBondContact N-O 3.31Å; C160-Q163 WeakPolarHBondContact O-CG 3.41Å; S161-Q163 PolarHBondContact O-N 2.81Å
164	D	93.1	Very high	92.3	Very high	64 Å²	64	58.6 Å²	58.6	34%	0.342	29%	0.286	S	S	.	.	S	Bend	trans	-95	-6	-169.8	-64.6	-53.6	0	0	0	114	P83 V153 K156	P83-D164 HydrophobicContact CG-CB 4.09Å; V153-D164 PolarHBondContact N-O 3.11Å; V153-D164 VanDerWaalsContact N-O 3.17Å; K156-D164 WeakPolarHBondContact CE-OD1 3.2Å; K156-D164 VanDerWaalsContact NZ-CG 3.27Å; K156-D164 IonicContact NZ-OD1 2.71Å; K156-D164 PolarHBondContact NZ-OD1 3.45Å; K156-D164 IonicContact NZ-OD2 2.66Å; K156-D164 PolarHBondContact NZ-OD2 2.88Å; K156-D164 VanDerWaalsContact NZ-OD2 3.13Å
165	V	94.6	Very high	92.7	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	154.2	-179.6	-61.9	0	0	0	0	112.6	L81 V86 V150 R151 Q162	L81-V165 HydrophobicContact CB-CG2 4.39Å; L81-V165 VanDerWaalsContact O-CG2 3.25Å; L81-V165 WeakPolarHBondContact O-CG2 3.3Å; V86-V165 HydrophobicContact CG2-CG1 3.88Å; V150-V165 HydrophobicContact CG1-CB 3.92Å; V150-V165 HydrophobicContact CG1-CG1 4Å; V150-V165 HydrophobicContact CG1-CG2 4.28Å; R151-V165 CarbonylContact O-C 3.49Å; R151-V165 WeakPolarHBondContact O-CA 3.36Å; R151-V165 WeakPolarHBondContact O-CB 3.49Å; Q162-V165 HydrophobicContact CB-CG2 4.43Å
166	E	95.1	Very high	93	Very high	28 Å²	28	45.4 Å²	45.4	13%	0.131	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	167.5	165.7	71.7	170.3	-173.1	0	0	111.6	Q118 R151 V153 I157 H168	Q118-E166 HydrophobicContact CB-CB 4.28Å; Q118-E166 HydrophobicContact CG-CB 4.49Å; Q118-E166 PolarHBondContact NE2-OE2 2.93Å; Q118-E166 WeakPolarHBondContact O-CA 3.41Å; R151-E166 PolarHBondContact N-O 2.88Å; R151-E166 PolarHBondContact O-N 2.94Å; V153-E166 HydrophobicContact CG1-CB 4Å; V153-E166 HydrophobicContact CG1-CG 3.71Å; I157-E166 HydrophobicContact CD1-CB 4.11Å; E166-H168 IonicContact OE1-CD2 2.7Å; E166-H168 PolarHBondContact OE1-CD2 2.78Å; E166-H168 IonicContact OE1-CE1 3.61Å; E166-H168 IonicContact OE1-NE2 3.55Å; E166-H168 PolarHBondContact OE1-NE2 3.36Å
167	L	96.4	Very high	93.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	114.5	-175.4	-63.6	171.8	0	0	0	111.7	L81 I90 L92 L110 V117 Q118 A119 L120 A148 V150 I169	L81-L167 HydrophobicContact CD1-CD1 4.09Å; L81-L167 HydrophobicContact CD1-CD2 4.34Å; I90-L167 HydrophobicContact CD1-CD2 4.07Å; L92-L167 HydrophobicContact CD2-CD1 3.58Å; L92-L167 HydrophobicContact CD2-CD2 4.35Å; L110-L167 HydrophobicContact CD1-CD1 4.28Å; V117-L167 HydrophobicContact CG1-CD1 3.56Å; V117-L167 HydrophobicContact CG1-CG 4.44Å; V117-L167 HydrophobicContact CG2-CD1 4.12Å; V117-L167 HydrophobicContact CG2-CG 4.1Å; Q118-L167 PolarHBondContact O-N 2.61Å; A119-L167 CarbonylContact C-O 3.54Å; A119-L167 VanDerWaalsContact CA-O 3.25Å; A119-L167 WeakPolarHBondContact CA-O 3.32Å; A119-L167 HydrophobicContact CB-CB 3.83Å; A119-L167 HydrophobicContact CB-CD1 4.41Å; L120-L167 PolarHBondContact N-O 2.88Å; A148-L167 HydrophobicContact CB-CB 3.9Å; A148-L167 HydrophobicContact CB-CD2 4.3Å; V150-L167 HydrophobicContact CG2-CD2 3.92Å; L167-I169 PolarHBondContact O-N 2.71Å
168	H	96.1	Very high	93.5	Very high	53 Å²	53	45.9 Å²	45.9	25%	0.245	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	106.2	174.5	-76.2	-150.5	0	0	0	108.9	A148 M149 R151 E166	A148-H168 CarbonylContact C-O 3.57Å; A148-H168 WeakPolarHBondContact CA-O 3.41Å; A148-H168 WeakPolarHBondContact CB-O 3.36Å; M149-H168 HydrophobicContact CB-CB 4.35Å; M149-H168 PolarHBondContact N-O 3.4Å; M149-H168 PolarHBondContact O-N 3.33Å; R151-H168 VanDerWaalsContact CD-CE1 3.49Å; R151-H168 WeakPolarHBondContact CD-CE1 3.32Å; R151-H168 PolarHBondContact NE-ND1 3.47Å; R151-H168 VanDerWaalsContact NE-ND1 3.16Å; E166-H168 IonicContact OE1-CD2 2.7Å; E166-H168 PolarHBondContact OE1-CD2 2.78Å; E166-H168 IonicContact OE1-CE1 3.61Å; E166-H168 IonicContact OE1-NE2 3.55Å; E166-H168 PolarHBondContact OE1-NE2 3.36Å
169	I	96.4	Very high	93.8	Very high	10 Å²	10	45.1 Å²	45.1	5%	0.051	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.7	-170.2	-64.1	-175.8	0	0	0	111.3	L108 A119 L120 V121 M131 V146 A148 L167 I172	L108-I169 HydrophobicContact CD1-CD1 4.27Å; A119-I169 HydrophobicContact CB-CD1 3.72Å; A119-I169 HydrophobicContact CB-CG1 4Å; L120-I169 PolarHBondContact O-N 3.15Å; V121-I169 HydrophobicContact CG2-CB 4.01Å; V121-I169 HydrophobicContact CG2-CD1 3.8Å; V121-I169 HydrophobicContact CG2-CG1 4.37Å; V121-I169 HydrophobicContact CG2-CG2 4.14Å; M131-I169 HydrophobicContact CE-CG2 4.08Å; V146-I169 HydrophobicContact CG1-CD1 3.99Å; V146-I169 HydrophobicContact CG1-CG1 3.78Å; V146-I169 HydrophobicContact CG1-CG2 4.26Å; A148-I169 HydrophobicContact CB-CG1 4.44Å; L167-I169 PolarHBondContact O-N 2.71Å; I169-I172 HydrophobicContact CD1-CD1 4.31Å; I169-I172 HydrophobicContact CG2-CB 4.03Å; I169-I172 HydrophobicContact CG2-CG2 4.25Å
170	E	95.4	Very high	93.9	Very high	21 Å²	21	46.3 Å²	46.3	10%	0.098	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	-30.1	172.7	-58.2	-155.5	176.8	0	0	113.6	L89 R126 E147	L89-E170 HydrophobicContact CD1-CG 4.1Å; R126-E170 WeakPolarHBondContact CD-OE1 3.36Å; R126-E170 VanDerWaalsContact CD-OE2 3.29Å; R126-E170 WeakPolarHBondContact CD-OE2 3.41Å; R126-E170 IonicContact CZ-OE1 2.7Å; R126-E170 IonicContact CZ-OE2 3.3Å; R126-E170 IonicContact NE-OE1 2.64Å; R126-E170 IonicContact NE-OE2 2.89Å; R126-E170 IonicContact NH1-OE1 3.7Å; R126-E170 PolarHBondContact NH1-OE1 3.42Å; R126-E170 IonicContact NH1-OE2 3.36Å; R126-E170 PolarHBondContact NH1-OE2 3.32Å; E147-E170 PolarHBondContact O-N 3.29Å
171	R	96.1	Very high	94	Very high	90 Å²	90	56.7 Å²	56.7	34%	0.34	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	145.6	170.1	-57.9	-170.6	172.6	112.5	-9.3	111.6	R58 V146 E147 F173	R58-R171 HydrophobicContact CB-CG 3.98Å; R58-R171 HydrophobicContact CG-CG 4.27Å; R58-R171 CarbonylContact O-C 3.47Å; R58-R171 WeakPolarHBondContact O-CA 3.29Å; R58-R171 VanDerWaalsContact O-CB 3.31Å; R58-R171 WeakPolarHBondContact O-CB 3.32Å; V146-R171 WeakPolarHBondContact CA-O 3.41Å; E147-R171 HydrophobicContact CB-CB 3.91Å; E147-R171 HydrophobicContact CB-CG 4.39Å; E147-R171 PolarHBondContact N-O 3.27Å; E147-R171 PolarHBondContact O-N 3.3Å; E147-R171 VanDerWaalsContact O-N 3.12Å; E147-R171 IonicContact OE1-NH1 3.13Å; E147-R171 PolarHBondContact OE1-NH1 3.41Å; E147-R171 WeakPolarHBondContact OE2-CD 3.38Å; E147-R171 VanDerWaalsContact OE2-CG 3.23Å; E147-R171 WeakPolarHBondContact OE2-CG 3.48Å; E147-R171 IonicContact OE2-CZ 3.77Å; E147-R171 IonicContact OE2-NE 3.23Å; E147-R171 IonicContact OE2-NH1 3.82Å; E147-R171 PolarHBondContact OE2-NH1 3.1Å; R171-F173 HydrophobicContact CB-CD2 4.45Å; R171-F173 HydrophobicContact CB-CE2 3.78Å; R171-F173 HydrophobicContact CB-CZ 4.43Å; R171-F173 HydrophobicContact CG-CE2 4.4Å
172	I	97.3	Very high	93.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	110.5	177.5	-178.2	165.4	0	0	0	112.4	R58 Y59 G60 L108 M131 I138 V144 V146 I169	R58-I172 PolarHBondContact O-N 3.49Å; Y59-I172 WeakPolarHBondContact CA-O 3.23Å; Y59-I172 WeakPolarHBondContact CB-O 3.3Å; G60-I172 PolarHBondContact N-O 3.26Å; L108-I172 HydrophobicContact CD2-CD1 4.13Å; M131-I172 HydrophobicContact CE-CG2 3.9Å; I138-I172 HydrophobicContact CD1-CD1 3.58Å; I138-I172 HydrophobicContact CD1-CG1 4.01Å; V144-I172 HydrophobicContact CB-CG1 4.22Å; V144-I172 HydrophobicContact CG1-CD1 4.26Å; V144-I172 HydrophobicContact CG1-CG1 4.11Å; V146-I172 HydrophobicContact CG2-CB 4.41Å; V146-I172 HydrophobicContact CG2-CD1 4.16Å; V146-I172 HydrophobicContact CG2-CG1 3.99Å; I169-I172 HydrophobicContact CD1-CD1 4.31Å; I169-I172 HydrophobicContact CG2-CB 4.03Å; I169-I172 HydrophobicContact CG2-CG2 4.25Å
173	F	97.4	Very high	93.5	Very high	46 Å²	46	58.8 Å²	58.8	20%	0.202	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.6	179.9	-59.3	-77.8	0	0	0	111.1	G60 W91 V144 D145 R171 I175	G60-F173 CarbonylContact O-C 3.58Å; G60-F173 WeakPolarHBondContact O-CA 3.37Å; W91-F173 HydrophobicContact CH2-CD2 4.14Å; W91-F173 HydrophobicContact CH2-CE2 4.02Å; W91-F173 HydrophobicContact CZ3-CD2 4.31Å; V144-F173 CarbonylContact C-O 3.54Å; V144-F173 WeakPolarHBondContact CA-O 3.39Å; D145-F173 PolarHBondContact N-O 3.3Å; D145-F173 PolarHBondContact O-N 3.49Å; R171-F173 HydrophobicContact CB-CD2 4.45Å; R171-F173 HydrophobicContact CB-CE2 3.78Å; R171-F173 HydrophobicContact CB-CZ 4.43Å; R171-F173 HydrophobicContact CG-CE2 4.4Å; F173-I175 PolarHBondContact O-N 2.77Å
174	V	97.9	Very high	92.9	Very high	4 Å²	4	56 Å²	56	2%	0.024	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	111.8	173	177.3	0	0	0	0	108.5	G60 V61 S62 F134 I138 V144 Q177	G60-V174 PolarHBondContact O-N 3.2Å; V61-V174 HydrophobicContact CG2-CB 4.35Å; S62-V174 PolarHBondContact N-O 3.03Å; S62-V174 PolarHBondContact OG-O 3.28Å; F134-V174 HydrophobicContact CE1-CG2 4.21Å; F134-V174 HydrophobicContact CZ-CG2 3.78Å; I138-V174 HydrophobicContact CD1-CG2 3.81Å; I138-V174 HydrophobicContact CG1-CG2 3.9Å; I138-V174 HydrophobicContact CG2-CG2 4.01Å; V144-V174 HydrophobicContact CG1-CG2 3.89Å; V174-Q177 HydrophobicContact CG1-CB 3.76Å; V174-Q177 HydrophobicContact CG1-CG 4.38Å
175	I	96.6	Very high	92.1	Very high	32 Å²	32	58.6 Å²	58.6	16%	0.164	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-19.7	-179.8	73.1	86.8	0	0	0	112.6	S62 I143 D145 F173	S62-I175 WeakPolarHBondContact OG-CA 3.34Å; I143-I175 HydrophobicContact CB-CD1 3.87Å; I143-I175 HydrophobicContact CB-CG1 4Å; I143-I175 HydrophobicContact CD1-CD1 4.42Å; I143-I175 HydrophobicContact CG2-CD1 3.71Å; I143-I175 HydrophobicContact CG2-CG1 3.73Å; I143-I175 PolarHBondContact O-N 3.09Å; D145-I175 HydrophobicContact CB-CG2 3.93Å; F173-I175 PolarHBondContact O-N 2.77Å
176	S	97.3	Very high	91	Very high	63 Å²	63	58.6 Å²	58.6	44%	0.441	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	109.8	169.8	-179.3	0	0	0	0	108.4	S142 I143	S142-S176 CarbonylContact C-O 3.59Å; S142-S176 WeakPolarHBondContact CA-O 3.26Å; I143-S176 PolarHBondContact N-O 3.1Å; I143-S176 PolarHBondContact O-N 2.9Å
177	Q	95.8	Very high	89.8	Confident	121 Å²	121	61.2 Å²	61.2	57%	0.565	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-81.3	127.5	179.4	-170.6	171.7	3.7	0	0	110	V174	V174-Q177 HydrophobicContact CG1-CB 3.76Å; V174-Q177 HydrophobicContact CG1-CG 4.38Å
178	A	94.4	Very high	88.6	Confident	23 Å²	23	62.4 Å²	62.4	19%	0.19	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-83.6	153.5	173.1	0	0	0	0	0	111.3	T139 K140 E141 S142	T139-A178 WeakPolarHBondContact CB-O 3.23Å; T139-A178 PolarHBondContact OG1-O 2.82Å; K140-A178 WeakPolarHBondContact O-CB 3.41Å; E141-A178 HydrophobicContact CB-CB 4.42Å; S142-A178 PolarHBondContact OG-N 2.7Å
179	E	92.1	Very high	87.2	Confident	154 Å²	154	60 Å²	60	72%	0.72	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-63.3	146.3	172.5	-70.4	-166.6	-155.4	0	0	111.8	R181	E179-R181 PolarHBondContact O-N 3.23Å
180	P	86.9	Confident	85.8	Confident	111 Å²	111	60.6 Å²	60.6	72%	0.721	30%	0.301	S	S	*	.	S	Bend	trans	-65.2	-20.6	-177.4	-20.7	31.1	0	0	0	115.1	T139	T139-P180 HydrophobicContact CG2-CB 3.92Å; T139-P180 HydrophobicContact CG2-CG 3.9Å
181	R	87	Confident	84.5	Confident	224 Å²	224	62 Å²	62	85%	0.845	31%	0.306	S	S	*	.	S	Bend	trans	-113.4	108.9	178.9	-72.1	-176.2	-68.6	-176.6	-0.5	109.1	E179	E179-R181 PolarHBondContact O-N 3.23Å
182	L	84.3	Confident	82.9	Confident	46 Å²	46	59 Å²	59	24%	0.241	30%	0.298	C	S	.	.			trans	-81.2	145.6	170.2	-58.3	177.4	0	0	0	109.2	K140 E141 L184 L186	K140-L182 HydrophobicContact CB-CD1 4.09Å; E141-L182 HydrophobicContact CB-CD1 4.46Å; E141-L182 HydrophobicContact CB-CD2 4.4Å; E141-L182 HydrophobicContact CG-CD1 4.12Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 VanDerWaalsContact CB-O 3.29Å; L182-L184 WeakPolarHBondContact CB-O 3.05Å; L182-L184 PolarHBondContact O-N 2.95Å; L182-L186 HydrophobicContact CD1-CD1 4.3Å; L182-L186 HydrophobicContact CD1-CD2 3.81Å; L182-L186 HydrophobicContact CD1-CG 3.95Å
183	P	81.9	Confident	81	Confident	79 Å²	79	64.2 Å²	64.2	51%	0.513	33%	0.326	S	S	.	.	S	Bend	trans	-72.4	-19.6	-178.3	30	-36.3	0	0	0	113.3	N212	P183-N212 WeakPolarHBondContact CB-OD1 3.29Å; P183-N212 HydrophobicContact CG-CB 4.33Å; P183-N212 WeakPolarHBondContact CG-OD1 3.41Å
184	L	79.3	Confident	78.9	Confident	7 Å²	7	64.2 Å²	64.2	4%	0.037	34%	0.339	C	S	.	.	S	Bend	trans	-129.1	149.6	165.5	68.3	81.3	0	0	0	109.4	L182 A189 N212 I215 L219	L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 VanDerWaalsContact CB-O 3.29Å; L182-L184 WeakPolarHBondContact CB-O 3.05Å; L182-L184 PolarHBondContact O-N 2.95Å; L184-A189 HydrophobicContact CD1-CB 3.93Å; L184-A189 HydrophobicContact CD2-CB 4.48Å; L184-N212 HydrophobicContact CD2-CB 4.01Å; L184-I215 HydrophobicContact CD1-CG2 3.82Å; L184-I215 HydrophobicContact CD2-CB 4.33Å; L184-I215 HydrophobicContact CD2-CG2 4.14Å; L184-I215 HydrophobicContact CG-CB 4.47Å; L184-I215 HydrophobicContact CG-CG2 3.88Å; L184-L219 HydrophobicContact CD1-CD1 4.03Å; L184-L219 HydrophobicContact CD1-CD2 4.14Å
185	Q	75.5	Confident	76.8	Confident	117 Å²	117	68.2 Å²	68.2	55%	0.547	36%	0.36	S	S	.	.			trans	-81.4	131.3	169.9	-63.5	-157.7	89.4	0	0	110.1	E187 D188 A189	Q185-E187 PolarHBondContact O-N 3.49Å; Q185-D188 HydrophobicContact CB-CB 4.32Å; Q185-D188 WeakPolarHBondContact CB-OD2 3.2Å; Q185-D188 PolarHBondContact NE2-OD2 3.23Å; Q185-D188 PolarHBondContact O-N 3.29Å; Q185-A189 PolarHBondContact O-N 3.43Å
186	L	70.9	Confident	74.5	Confident	2 Å²	2	67 Å²	67	1%	0.01	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.7	-177.6	-48.3	177.5	0	0	0	113.6	H97 K140 E141 L182 V190 I215 L219	H97-L186 WeakPolarHBondContact ND1-CD1 3.49Å; K140-L186 HydrophobicContact CB-CD1 4.36Å; K140-L186 HydrophobicContact CD-CD1 4.33Å; E141-L186 HydrophobicContact CG-CD1 3.94Å; E141-L186 HydrophobicContact CG-CD2 3.87Å; L182-L186 HydrophobicContact CD1-CD1 4.3Å; L182-L186 HydrophobicContact CD1-CD2 3.81Å; L182-L186 HydrophobicContact CD1-CG 3.95Å; L186-V190 WeakPolarHBondContact O-CB 3.25Å; L186-V190 WeakPolarHBondContact O-CG2 3.49Å; L186-I215 HydrophobicContact CD2-CG2 4.23Å; L186-L219 HydrophobicContact CB-CD2 4.25Å; L186-L219 HydrophobicContact CD2-CD2 3.39Å; L186-L219 HydrophobicContact CG-CD2 4.41Å
187	E	70.6	Confident	72.2	Confident	83 Å²	83	72.5 Å²	72.5	39%	0.388	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-28.6	-175.9	-71.3	149.7	-117.5	0	0	112.3	K140 Q185	K140-E187 IonicContact NZ-OE1 3.76Å; K140-E187 PolarHBondContact NZ-OE1 2.8Å; Q185-E187 PolarHBondContact O-N 3.49Å
188	D	71.8	Confident	70	Confident	24 Å²	24	75.8 Å²	75.8	13%	0.128	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-82.9	-38.7	-178.2	-63.1	-32.1	0	0	0	111.7	Q185 V190 R191 A202 V204	Q185-D188 HydrophobicContact CB-CB 4.32Å; Q185-D188 WeakPolarHBondContact CB-OD2 3.2Å; Q185-D188 PolarHBondContact NE2-OD2 3.23Å; Q185-D188 PolarHBondContact O-N 3.29Å; D188-V190 PolarHBondContact O-N 2.91Å; D188-V190 VanDerWaalsContact O-N 3.12Å; D188-R191 IonicContact OD1-CZ 3.01Å; D188-R191 IonicContact OD1-NE 3.74Å; D188-R191 IonicContact OD1-NH2 2.68Å; D188-R191 PolarHBondContact OD1-NH2 3.21Å; D188-A202 WeakPolarHBondContact CB-O 3.11Å; D188-V204 HydrophobicContact CB-CG2 3.72Å
189	A	66.2	Low	67.9	Low	2 Å²	2	79.8 Å²	79.8	2%	0.017	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-77.9	13.9	174.7	0	0	0	0	0	113.7	L184 Q185 V204 R209 L219	L184-A189 HydrophobicContact CD1-CB 3.93Å; L184-A189 HydrophobicContact CD2-CB 4.48Å; Q185-A189 PolarHBondContact O-N 3.43Å; A189-V204 HydrophobicContact CB-CB 3.92Å; A189-V204 HydrophobicContact CB-CG2 3.84Å; A189-R209 HydrophobicContact CB-CG 4.42Å; A189-L219 HydrophobicContact CB-CD1 3.53Å
190	V	66.3	Low	66.1	Low	23 Å²	23	75.9 Å²	75.9	14%	0.139	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-125.2	-8.2	-168.5	134.7	0	0	0	0	112.4	L186 D188 L219 K221	L186-V190 WeakPolarHBondContact O-CB 3.25Å; L186-V190 WeakPolarHBondContact O-CG2 3.49Å; D188-V190 PolarHBondContact O-N 2.91Å; D188-V190 VanDerWaalsContact O-N 3.12Å; V190-L219 HydrophobicContact CG2-CB 3.6Å; V190-L219 HydrophobicContact CG2-CD1 4.02Å; V190-L219 HydrophobicContact CG2-CG 4.45Å; V190-K221 HydrophobicContact CB-CB 4.22Å; V190-K221 HydrophobicContact CG1-CB 3.91Å; V190-K221 HydrophobicContact CG1-CD 4Å; V190-K221 HydrophobicContact CG1-CG 4Å; V190-K221 HydrophobicContact CG2-CB 3.92Å; V190-K221 VanDerWaalsContact O-CD 3.23Å; V190-K221 WeakPolarHBondContact O-CD 3.39Å
191	R	68.9	Low	64.8	Low	52 Å²	52	76.4 Å²	76.4	20%	0.196	39%	0.393	C	S	.	.	S	Bend	trans	-72.2	149.5	169.5	-51.2	-178.8	-160.6	-71	-10.6	109.9	D188 A202 T203	D188-R191 IonicContact OD1-CZ 3.01Å; D188-R191 IonicContact OD1-NE 3.74Å; D188-R191 IonicContact OD1-NH2 2.68Å; D188-R191 PolarHBondContact OD1-NH2 3.21Å; R191-A202 WeakPolarHBondContact CD-O 3.5Å; R191-A202 PolarHBondContact NE-O 3.22Å; R191-T203 HydrophobicContact CB-CG2 4.26Å
192	P	63	Low	63.6	Low	25 Å²	25	68.8 Å²	68.8	16%	0.162	38%	0.377	C	S	.	.			trans	-59.4	157.4	157.6	-20.4	34.2	0	0	0	111.2	G194 D195	P192-G194 PolarHBondContact O-N 3.08Å; P192-D195 VanDerWaalsContact CD-OD2 3.23Å; P192-D195 WeakPolarHBondContact CD-OD2 3.23Å; P192-D195 WeakPolarHBondContact CG-OD2 3.33Å
193	D	57.3	Low	62.8	Low	111 Å²	111	69.8 Å²	69.8	59%	0.594	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	115.7	169.8	-60.7	-57.4	0	0	0	108.1
194	G	53.2	Low	62.3	Low	46 Å²	46	67.2 Å²	67.2	47%	0.474	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	128.9	-67	-171	0	0	0	0	0	112.6	P192 G196 E197	P192-G194 PolarHBondContact O-N 3.08Å; G194-G196 PolarHBondContact O-N 3.05Å; G194-E197 PolarHBondContact O-N 2.83Å
195	D	52.7	Low	62.4	Low	88 Å²	88	71.3 Å²	71.3	47%	0.471	39%	0.391	S	S	.	.	H	α-helix	trans	-45.8	-30.6	-176.2	-68.4	17.1	0	0	0	115.2	P192	P192-D195 VanDerWaalsContact CD-OD2 3.23Å; P192-D195 WeakPolarHBondContact CD-OD2 3.23Å; P192-D195 WeakPolarHBondContact CG-OD2 3.33Å
196	G	49.7	Very low	62.5	Low	5 Å²	5	69.2 Å²	69.2	5%	0.052	38%	0.381	C	S	.	.	H	α-helix	trans	-67.2	-31.9	-179.2	0	0	0	0	0	114.5	G194 G200 R201	G194-G196 PolarHBondContact O-N 3.05Å; G196-G200 CarbonylContact O-C 3.57Å; G196-G200 PolarHBondContact O-N 3.4Å; G196-G200 VanDerWaalsContact O-N 3.1Å; G196-R201 CarbonylContact C-O 3.54Å; G196-R201 VanDerWaalsContact CA-O 3.22Å; G196-R201 WeakPolarHBondContact CA-O 3.32Å; G196-R201 PolarHBondContact O-N 2.85Å
197	E	49.5	Very low	63.2	Low	180 Å²	180	73.1 Å²	73.1	84%	0.841	40%	0.401	S	S	*	.	H	α-helix	trans	-76.7	-38	-174.5	-61.6	-165.5	163.1	0	0	112	G194 G200	G194-E197 PolarHBondContact O-N 2.83Å; E197-G200 PolarHBondContact O-N 2.83Å
198	E	48.7	Very low	63.8	Low	190 Å²	190	71.4 Å²	71.4	89%	0.888	40%	0.397	S	S	*	.	H	α-helix	trans	-69.6	-33.4	178.8	-60.8	-164.7	153.1	0	0	113.2
199	E	50.5	Low	64.4	Low	106 Å²	106	71.9 Å²	71.9	50%	0.495	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-3	176.5	-68.2	-165.6	111.5	0	0	114.3	R201	E199-R201 VanDerWaalsContact C-N 3.34Å; E199-R201 HydrophobicContact CB-CG 3.88Å; E199-R201 PolarHBondContact O-N 3.42Å; E199-R201 IonicContact OE1-CZ 3.41Å; E199-R201 IonicContact OE1-NE 2.79Å; E199-R201 IonicContact OE1-NH1 3.68Å; E199-R201 PolarHBondContact OE1-NH1 2.94Å; E199-R201 IonicContact OE1-NH2 3.6Å; E199-R201 PolarHBondContact OE1-NH2 2.83Å; E199-R201 WeakPolarHBondContact OE2-CD 3.45Å; E199-R201 IonicContact OE2-CZ 3.47Å; E199-R201 IonicContact OE2-NE 3.61Å; E199-R201 PolarHBondContact OE2-NE 3.22Å; E199-R201 IonicContact OE2-NH1 2.69Å; E199-R201 PolarHBondContact OE2-NH1 3.36Å; E199-R201 IonicContact OE2-NH2 3.57Å
200	G	53.3	Low	65.4	Low	73 Å²	73	72 Å²	72	75%	0.753	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	34	-174.5	0	0	0	0	0	114	G196 E197	G196-G200 CarbonylContact O-C 3.57Å; G196-G200 PolarHBondContact O-N 3.4Å; G196-G200 VanDerWaalsContact O-N 3.1Å; E197-G200 PolarHBondContact O-N 2.83Å
201	R	59.4	Low	66.5	Low	122 Å²	122	75.1 Å²	75.1	46%	0.46	41%	0.413	S	S	.	.			trans	-112.5	136.1	-175.5	-61.9	-176.9	-174.3	159.2	9.4	111.6	G196 E199 T203	G196-R201 CarbonylContact C-O 3.54Å; G196-R201 VanDerWaalsContact CA-O 3.22Å; G196-R201 WeakPolarHBondContact CA-O 3.32Å; G196-R201 PolarHBondContact O-N 2.85Å; E199-R201 VanDerWaalsContact C-N 3.34Å; E199-R201 HydrophobicContact CB-CG 3.88Å; E199-R201 PolarHBondContact O-N 3.42Å; E199-R201 IonicContact OE1-CZ 3.41Å; E199-R201 IonicContact OE1-NE 2.79Å; E199-R201 IonicContact OE1-NH1 3.68Å; E199-R201 PolarHBondContact OE1-NH1 2.94Å; E199-R201 IonicContact OE1-NH2 3.6Å; E199-R201 PolarHBondContact OE1-NH2 2.83Å; E199-R201 WeakPolarHBondContact OE2-CD 3.45Å; E199-R201 IonicContact OE2-CZ 3.47Å; E199-R201 IonicContact OE2-NE 3.61Å; E199-R201 PolarHBondContact OE2-NE 3.22Å; E199-R201 IonicContact OE2-NH1 2.69Å; E199-R201 PolarHBondContact OE2-NH1 3.36Å; E199-R201 IonicContact OE2-NH2 3.57Å; R201-T203 PolarHBondContact O-N 3.38Å
202	A	63.5	Low	67.3	Low	63 Å²	63	74.7 Å²	74.7	52%	0.521	42%	0.415	S	S	.	.			trans	-62.7	133.1	-177.7	0	0	0	0	0	113.2	D188 R191	D188-A202 WeakPolarHBondContact CB-O 3.11Å; R191-A202 WeakPolarHBondContact CD-O 3.5Å; R191-A202 PolarHBondContact NE-O 3.22Å
203	T	66.9	Low	68.6	Low	68 Å²	68	73.9 Å²	73.9	42%	0.417	41%	0.409	S	S	.	.			trans	-96.6	162.2	159	56.3	0	0	0	0	109.1	R191 R201	R191-T203 HydrophobicContact CB-CG2 4.26Å; R201-T203 PolarHBondContact O-N 3.38Å
204	V	70.6	Confident	70.1	Confident	25 Å²	25	72.3 Å²	72.3	15%	0.152	40%	0.402	C	S	.	.			trans	-106.6	120.9	176.4	-175.4	0	0	0	0	109.5	D188 A189 T208 R209	D188-V204 HydrophobicContact CB-CG2 3.72Å; A189-V204 HydrophobicContact CB-CB 3.92Å; A189-V204 HydrophobicContact CB-CG2 3.84Å; V204-T208 HydrophobicContact CG1-CG2 3.86Å; V204-R209 HydrophobicContact CB-CG 4.15Å; V204-R209 HydrophobicContact CG1-CG 3.79Å; V204-R209 WeakPolarHBondContact O-CD 3.32Å
205	N	81.1	Confident	71.6	Confident	93 Å²	93	71.1 Å²	71.1	50%	0.497	39%	0.385	S	S	.	.			trans	-60.9	157.1	-178.6	76.6	-18.6	0	0	0	112.5	D207 T208 R209	N205-D207 VanDerWaalsContact C-N 3.31Å; N205-D207 PolarHBondContact O-N 3.37Å; N205-T208 PolarHBondContact O-N 2.82Å; N205-T208 WeakPolarHBondContact OD1-CB 3.31Å; N205-T208 PolarHBondContact OD1-N 3.39Å; N205-T208 VanDerWaalsContact OD1-N 3.11Å; N205-T208 PolarHBondContact OD1-OG1 3.43Å; N205-R209 WeakPolarHBondContact O-CG 3.42Å; N205-R209 PolarHBondContact O-N 3.11Å
206	Q	79.1	Confident	73	Confident	72 Å²	72	67 Å²	67	34%	0.336	36%	0.363	S	S	.	.	H	α-helix	trans	-58.5	-40.3	-173.7	-171.1	171.6	15.2	0	0	112.9	R209 L210 N518	Q206-R209 WeakPolarHBondContact O-CB 3.4Å; Q206-R209 PolarHBondContact O-N 3.42Å; Q206-L210 HydrophobicContact CG-CD1 4.12Å; Q206-L210 HydrophobicContact CG-CG 4.39Å; Q206-L210 WeakPolarHBondContact O-CG 3.35Å; Q206-L210 PolarHBondContact O-N 3.11Å; Q206-N518 PolarHBondContact NE2-ND2 2.9Å; Q206-N518 PolarHBondContact OE1-ND2 3.4Å
207	D	84	Confident	74.8	Confident	84 Å²	84	67.7 Å²	67.7	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-65.4	-45.1	-179.9	-75	-60.3	0	0	0	113.1	N205 R209 L210 D211 R531	N205-D207 VanDerWaalsContact C-N 3.31Å; N205-D207 PolarHBondContact O-N 3.37Å; D207-R209 PolarHBondContact O-N 3.07Å; D207-L210 CarbonylContact O-C 3.56Å; D207-L210 PolarHBondContact O-N 2.96Å; D207-D211 WeakPolarHBondContact O-CB 3.13Å; D207-D211 PolarHBondContact O-N 3.02Å; D207-R531 IonicContact OD1-CZ 2.71Å; D207-R531 IonicContact OD1-NE 2.68Å; D207-R531 IonicContact OD1-NH2 3.52Å; D207-R531 PolarHBondContact OD1-NH2 3.09Å
208	T	84.9	Confident	76.2	Confident	48 Å²	48	62.4 Å²	62.4	29%	0.294	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-31.7	176.3	-55	0	0	0	0	111.7	V204 N205 N212	V204-T208 HydrophobicContact CG1-CG2 3.86Å; N205-T208 PolarHBondContact O-N 2.82Å; N205-T208 WeakPolarHBondContact OD1-CB 3.31Å; N205-T208 PolarHBondContact OD1-N 3.39Å; N205-T208 VanDerWaalsContact OD1-N 3.11Å; N205-T208 PolarHBondContact OD1-OG1 3.43Å; T208-N212 WeakPolarHBondContact O-CB 3.43Å; T208-N212 PolarHBondContact O-N 3.15Å; T208-N212 PolarHBondContact O-ND2 3.35Å
209	R	84.2	Confident	76.7	Confident	33 Å²	33	53.4 Å²	53.4	13%	0.125	30%	0.296	C	S	.	.	H	α-helix	trans	-69.3	-36.3	173.8	-66.2	175.9	62.2	-179.7	-1.6	112.5	A189 V204 N205 Q206 D207 N212 R213 D216	A189-R209 HydrophobicContact CB-CG 4.42Å; V204-R209 HydrophobicContact CB-CG 4.15Å; V204-R209 HydrophobicContact CG1-CG 3.79Å; V204-R209 WeakPolarHBondContact O-CD 3.32Å; N205-R209 WeakPolarHBondContact O-CG 3.42Å; N205-R209 PolarHBondContact O-N 3.11Å; Q206-R209 WeakPolarHBondContact O-CB 3.4Å; Q206-R209 PolarHBondContact O-N 3.42Å; D207-R209 PolarHBondContact O-N 3.07Å; R209-N212 CarbonylContact O-C 3.47Å; R209-N212 VanDerWaalsContact O-C 3.28Å; R209-R213 VanDerWaalsContact O-CA 3.3Å; R209-R213 WeakPolarHBondContact O-CA 3.5Å; R209-R213 PolarHBondContact O-N 2.71Å; R209-R213 VanDerWaalsContact O-N 3.1Å; R209-D216 HydrophobicContact CB-CB 4.34Å; R209-D216 IonicContact CZ-OD1 3.18Å; R209-D216 VanDerWaalsContact CZ-OD1 3.23Å; R209-D216 IonicContact NE-OD1 2.74Å; R209-D216 PolarHBondContact NE-OD1 2.86Å; R209-D216 IonicContact NH2-OD1 2.79Å; R209-D216 PolarHBondContact NH2-OD1 3.41Å; R209-D216 WeakPolarHBondContact O-CB 3.37Å
210	L	86.9	Confident	76.4	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-77.9	-39.2	177	-67.8	178	0	0	0	112.5	Q206 D207 N212 R213 R520 P526 P534	Q206-L210 HydrophobicContact CG-CD1 4.12Å; Q206-L210 HydrophobicContact CG-CG 4.39Å; Q206-L210 WeakPolarHBondContact O-CG 3.35Å; Q206-L210 PolarHBondContact O-N 3.11Å; D207-L210 CarbonylContact O-C 3.56Å; D207-L210 PolarHBondContact O-N 2.96Å; L210-N212 PolarHBondContact O-N 2.72Å; L210-R213 VanDerWaalsContact O-CB 3.29Å; L210-R213 WeakPolarHBondContact O-CB 3.31Å; L210-R213 PolarHBondContact O-N 2.82Å; L210-R213 VanDerWaalsContact O-N 3.11Å; L210-R520 HydrophobicContact CD1-CB 4.13Å; L210-P526 HydrophobicContact CD1-CG 3.96Å; L210-P526 HydrophobicContact CD2-CG 3.66Å; L210-P526 HydrophobicContact CG-CG 4.38Å; L210-P534 VanDerWaalsContact O-CD 3.25Å; L210-P534 WeakPolarHBondContact O-CD 3.25Å
211	D	88.1	Confident	76	Confident	90 Å²	90	51.6 Å²	51.6	48%	0.481	27%	0.268	S	S	.	.	H	α-helix	trans	-58.8	-33	172.7	-62.3	-12.3	0	0	0	110.9	D207 R531	D207-D211 WeakPolarHBondContact O-CB 3.13Å; D207-D211 PolarHBondContact O-N 3.02Å; D211-R531 IonicContact OD1-CZ 3.42Å; D211-R531 VanDerWaalsContact OD1-CZ 3.22Å; D211-R531 IonicContact OD1-NH1 3.73Å; D211-R531 PolarHBondContact OD1-NH1 3.47Å; D211-R531 IonicContact OD1-NH2 3.67Å; D211-R531 PolarHBondContact OD1-NH2 2.63Å
212	N	87.6	Confident	75.5	Confident	42 Å²	42	45.8 Å²	45.8	23%	0.225	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	32.5	177.9	-62.5	-80.5	0	0	0	112.6	P183 L184 T208 R209 L210 V214 I215 D216	P183-N212 WeakPolarHBondContact CB-OD1 3.29Å; P183-N212 HydrophobicContact CG-CB 4.33Å; P183-N212 WeakPolarHBondContact CG-OD1 3.41Å; L184-N212 HydrophobicContact CD2-CB 4.01Å; T208-N212 WeakPolarHBondContact O-CB 3.43Å; T208-N212 PolarHBondContact O-N 3.15Å; T208-N212 PolarHBondContact O-ND2 3.35Å; R209-N212 CarbonylContact O-C 3.47Å; R209-N212 VanDerWaalsContact O-C 3.28Å; L210-N212 PolarHBondContact O-N 2.72Å; N212-V214 PolarHBondContact O-N 2.67Å; N212-I215 WeakPolarHBondContact O-CA 3.48Å; N212-I215 PolarHBondContact O-N 2.86Å; N212-D216 PolarHBondContact O-N 3.1Å; N212-D216 VanDerWaalsContact O-N 3.17Å
213	R	88.2	Confident	75.2	Confident	9 Å²	9	43.8 Å²	43.8	3%	0.034	23%	0.228	C	C	.	.	H	α-helix	trans	-51.1	-36.1	-171.9	-168.6	56.3	154.4	174.3	-11.2	114	R209 L210 I215 D216 L217 R520 Q521 S523 M524 F525 P534	R209-R213 VanDerWaalsContact O-CA 3.3Å; R209-R213 WeakPolarHBondContact O-CA 3.5Å; R209-R213 PolarHBondContact O-N 2.71Å; R209-R213 VanDerWaalsContact O-N 3.1Å; L210-R213 VanDerWaalsContact O-CB 3.29Å; L210-R213 WeakPolarHBondContact O-CB 3.31Å; L210-R213 PolarHBondContact O-N 2.82Å; L210-R213 VanDerWaalsContact O-N 3.11Å; R213-I215 PolarHBondContact O-N 2.72Å; R213-I215 VanDerWaalsContact O-N 3.16Å; R213-D216 IonicContact CZ-OD2 3.96Å; R213-D216 IonicContact NH1-OD2 2.71Å; R213-D216 PolarHBondContact NH1-OD2 2.87Å; R213-D216 PolarHBondContact O-N 3.28Å; R213-L217 HydrophobicContact CG-CD1 3.96Å; R213-L217 HydrophobicContact CG-CG 4.04Å; R213-L217 WeakPolarHBondContact O-CB 3.22Å; R213-L217 VanDerWaalsContact O-CG 3.23Å; R213-L217 WeakPolarHBondContact O-CG 3.42Å; R213-L217 PolarHBondContact O-N 3.45Å; R213-R520 PolarHBondContact NH2-O 2.9Å; R213-R520 VanDerWaalsContact NH2-O 3.16Å; R213-Q521 PolarHBondContact NH2-O 2.97Å; R213-S523 PolarHBondContact NH2-O 3.38Å; R213-M524 VanDerWaalsContact CG-O 3.28Å; R213-M524 WeakPolarHBondContact CG-O 3.49Å; R213-M524 PolarHBondContact NE-O 3.41Å; R213-F525 HydrophobicContact CB-CD1 4.42Å; R213-F525 HydrophobicContact CB-CE1 4.23Å; R213-F525 HydrophobicContact CG-CD1 4.14Å; R213-F525 HydrophobicContact CG-CE1 4.04Å; R213-P534 HydrophobicContact CB-CG 4.13Å
214	V	88.9	Confident	75.4	Confident	77 Å²	77	40.7 Å²	40.7	47%	0.467	21%	0.209	S	C	.	.	H	α-helix	trans	-60	-23.6	177.2	173.7	0	0	0	0	113.4	N212 R218 F525	N212-V214 PolarHBondContact O-N 2.67Å; V214-R218 VanDerWaalsContact CG1-NH2 3.27Å; V214-R218 WeakPolarHBondContact O-CD 3.34Å; V214-R218 WeakPolarHBondContact O-CG 3.28Å; V214-R218 PolarHBondContact O-NE 2.94Å; V214-F525 HydrophobicContact CG2-CE1 4.46Å
215	I	85.3	Confident	76	Confident	22 Å²	22	39.7 Å²	39.7	11%	0.113	20%	0.203	C	C	.	.	H	α-helix	trans	-95.3	-41.3	172.8	-57.1	-60.9	0	0	0	111.3	L184 L186 N212 R213 L217 R218 L219	L184-I215 HydrophobicContact CD1-CG2 3.82Å; L184-I215 HydrophobicContact CD2-CB 4.33Å; L184-I215 HydrophobicContact CD2-CG2 4.14Å; L184-I215 HydrophobicContact CG-CB 4.47Å; L184-I215 HydrophobicContact CG-CG2 3.88Å; L186-I215 HydrophobicContact CD2-CG2 4.23Å; N212-I215 WeakPolarHBondContact O-CA 3.48Å; N212-I215 PolarHBondContact O-N 2.86Å; R213-I215 PolarHBondContact O-N 2.72Å; R213-I215 VanDerWaalsContact O-N 3.16Å; I215-L217 VanDerWaalsContact C-N 3.26Å; I215-L217 PolarHBondContact O-N 2.97Å; I215-R218 VanDerWaalsContact O-CB 3.31Å; I215-R218 WeakPolarHBondContact O-CB 3.38Å; I215-R218 PolarHBondContact O-N 3.28Å; I215-L219 HydrophobicContact CG2-CD2 3.98Å; I215-L219 WeakPolarHBondContact O-CD2 3.16Å
216	D	83.3	Confident	76.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-36	175.8	171.5	83.2	0	0	0	112.8	R209 N212 R213 R218 T222	R209-D216 HydrophobicContact CB-CB 4.34Å; R209-D216 IonicContact CZ-OD1 3.18Å; R209-D216 VanDerWaalsContact CZ-OD1 3.23Å; R209-D216 IonicContact NE-OD1 2.74Å; R209-D216 PolarHBondContact NE-OD1 2.86Å; R209-D216 IonicContact NH2-OD1 2.79Å; R209-D216 PolarHBondContact NH2-OD1 3.41Å; R209-D216 WeakPolarHBondContact O-CB 3.37Å; N212-D216 PolarHBondContact O-N 3.1Å; N212-D216 VanDerWaalsContact O-N 3.17Å; R213-D216 IonicContact CZ-OD2 3.96Å; R213-D216 IonicContact NH1-OD2 2.71Å; R213-D216 PolarHBondContact NH1-OD2 2.87Å; R213-D216 PolarHBondContact O-N 3.28Å; D216-R218 PolarHBondContact O-N 3.47Å; D216-T222 WeakPolarHBondContact O-CB 3.34Å; D216-T222 PolarHBondContact O-OG1 2.9Å
217	L	86.3	Confident	76.4	Confident	21 Å²	21	34.5 Å²	34.5	11%	0.11	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	1.2	173.9	-69.1	172.4	0	0	0	114.1	R213 I215 Q226 F229 M524 F525	R213-L217 HydrophobicContact CG-CD1 3.96Å; R213-L217 HydrophobicContact CG-CG 4.04Å; R213-L217 WeakPolarHBondContact O-CB 3.22Å; R213-L217 VanDerWaalsContact O-CG 3.23Å; R213-L217 WeakPolarHBondContact O-CG 3.42Å; R213-L217 PolarHBondContact O-N 3.45Å; I215-L217 VanDerWaalsContact C-N 3.26Å; I215-L217 PolarHBondContact O-N 2.97Å; L217-Q226 PolarHBondContact O-NE2 2.88Å; L217-F229 HydrophobicContact CD2-CD2 3.55Å; L217-F229 HydrophobicContact CD2-CE2 3.4Å; L217-F229 VanDerWaalsContact CD2-CE2 3.4Å; L217-F229 HydrophobicContact CD2-CZ 4.47Å; L217-M524 HydrophobicContact CD1-CG 3.95Å; L217-M524 HydrophobicContact CD1-SD 4.45Å; L217-M524 HydrophobicContact CD2-CG 4.26Å; L217-F525 HydrophobicContact CD1-CZ 4.07Å
218	R	78.8	Confident	76.8	Confident	69 Å²	69	30.6 Å²	30.6	26%	0.26	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-19.7	-173.1	-55	-179.3	-173.9	176.2	2.9	116.5	R95 R111 E141 V214 I215 D216	R95-R218 VanDerWaalsContact NH1-NH1 3.13Å; R111-R218 PolarHBondContact NH1-O 3.27Å; R111-R218 PolarHBondContact NH2-O 3.4Å; R111-R218 VanDerWaalsContact NH2-O 3.11Å; E141-R218 IonicContact OE2-NH1 4Å; V214-R218 VanDerWaalsContact CG1-NH2 3.27Å; V214-R218 WeakPolarHBondContact O-CD 3.34Å; V214-R218 WeakPolarHBondContact O-CG 3.28Å; V214-R218 PolarHBondContact O-NE 2.94Å; I215-R218 VanDerWaalsContact O-CB 3.31Å; I215-R218 WeakPolarHBondContact O-CB 3.38Å; I215-R218 PolarHBondContact O-N 3.28Å; D216-R218 PolarHBondContact O-N 3.47Å
219	L	59.6	Low	77.2	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.145	C	C	.	.			trans	-72.8	153.5	-159	-39.9	176.2	0	0	0	113.3	L184 L186 A189 V190 I215 K221 T222 T223	L184-L219 HydrophobicContact CD1-CD1 4.03Å; L184-L219 HydrophobicContact CD1-CD2 4.14Å; L186-L219 HydrophobicContact CB-CD2 4.25Å; L186-L219 HydrophobicContact CD2-CD2 3.39Å; L186-L219 HydrophobicContact CG-CD2 4.41Å; A189-L219 HydrophobicContact CB-CD1 3.53Å; V190-L219 HydrophobicContact CG2-CB 3.6Å; V190-L219 HydrophobicContact CG2-CD1 4.02Å; V190-L219 HydrophobicContact CG2-CG 4.45Å; I215-L219 HydrophobicContact CG2-CD2 3.98Å; I215-L219 WeakPolarHBondContact O-CD2 3.16Å; L219-K221 PolarHBondContact O-N 2.83Å; L219-T222 VanDerWaalsContact CA-OG1 3.31Å; L219-T222 WeakPolarHBondContact CA-OG1 3.31Å; L219-T222 HydrophobicContact CB-CG2 4.12Å; L219-T222 WeakPolarHBondContact CB-OG1 3.37Å; L219-T222 HydrophobicContact CD1-CG2 3.98Å; L219-T222 HydrophobicContact CG-CG2 4.27Å; L219-T222 WeakPolarHBondContact CG-OG1 3.36Å; L219-T222 PolarHBondContact N-OG1 3.19Å; L219-T222 CarbonylContact O-C 3.57Å; L219-T222 WeakPolarHBondContact O-CA 3.25Å; L219-T222 PolarHBondContact O-N 3.49Å; L219-T222 PolarHBondContact O-OG1 3.25Å; L219-T223 PolarHBondContact O-N 3.22Å
220	P	45.1	Very low	77.5	Confident	27 Å²	27	30.9 Å²	30.9	18%	0.175	15%	0.151	C	C	.	.	S	Bend	trans	-78.7	-1.9	-175.6	23.5	-26.8	0	0	0	117.6	H97 T223	H97-P220 WeakPolarHBondContact CE1-CG 3.03Å; H97-P220 VanDerWaalsContact NE2-CG 3.29Å; H97-P220 WeakPolarHBondContact NE2-CG 3.42Å; P220-T223 WeakPolarHBondContact O-CG2 3.42Å
221	K	44.1	Very low	77.9	Confident	113 Å²	113	30.7 Å²	30.7	49%	0.491	15%	0.15	S	C	.	.	S	Bend	trans	-109.8	-10.7	151.3	-69.2	-172.2	170.4	-175.1	0	113.5	V190 L219 T223 T224 Q364	V190-K221 HydrophobicContact CB-CB 4.22Å; V190-K221 HydrophobicContact CG1-CB 3.91Å; V190-K221 HydrophobicContact CG1-CD 4Å; V190-K221 HydrophobicContact CG1-CG 4Å; V190-K221 HydrophobicContact CG2-CB 3.92Å; V190-K221 VanDerWaalsContact O-CD 3.23Å; V190-K221 WeakPolarHBondContact O-CD 3.39Å; L219-K221 PolarHBondContact O-N 2.83Å; K221-T223 PolarHBondContact O-N 2.86Å; K221-T223 PolarHBondContact O-OG1 3.02Å; K221-T224 PolarHBondContact O-N 2.88Å; K221-T224 PolarHBondContact O-OG1 2.84Å; K221-Q364 PolarHBondContact O-OE1 2.61Å
222	T	48.8	Very low	78.2	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	25.2	158.4	74	0	0	0	0	112.1	D216 L219 T224 S225 Q226	D216-T222 WeakPolarHBondContact O-CB 3.34Å; D216-T222 PolarHBondContact O-OG1 2.9Å; L219-T222 VanDerWaalsContact CA-OG1 3.31Å; L219-T222 WeakPolarHBondContact CA-OG1 3.31Å; L219-T222 HydrophobicContact CB-CG2 4.12Å; L219-T222 WeakPolarHBondContact CB-OG1 3.37Å; L219-T222 HydrophobicContact CD1-CG2 3.98Å; L219-T222 HydrophobicContact CG-CG2 4.27Å; L219-T222 WeakPolarHBondContact CG-OG1 3.36Å; L219-T222 PolarHBondContact N-OG1 3.19Å; L219-T222 CarbonylContact O-C 3.57Å; L219-T222 WeakPolarHBondContact O-CA 3.25Å; L219-T222 PolarHBondContact O-N 3.49Å; L219-T222 PolarHBondContact O-OG1 3.25Å; T222-T224 PolarHBondContact O-N 2.7Å; T222-S225 WeakPolarHBondContact O-CA 3.46Å; T222-S225 WeakPolarHBondContact O-CB 3.39Å; T222-S225 PolarHBondContact O-N 3.12Å; T222-Q226 PolarHBondContact O-N 3.04Å; T222-Q226 VanDerWaalsContact O-N 3.11Å
223	T	56.8	Low	78.7	Confident	22 Å²	22	29.2 Å²	29.2	14%	0.135	15%	0.147	C	C	.	.	H	α-helix	trans	-48.3	-32.5	143.4	49.1	0	0	0	0	109.9	Q114 L219 P220 K221 S225 Q226 A227 T360	Q114-T223 HydrophobicContact CB-CG2 3.62Å; L219-T223 PolarHBondContact O-N 3.22Å; P220-T223 WeakPolarHBondContact O-CG2 3.42Å; K221-T223 PolarHBondContact O-N 2.86Å; K221-T223 PolarHBondContact O-OG1 3.02Å; T223-S225 PolarHBondContact O-N 2.92Å; T223-Q226 PolarHBondContact O-N 3.43Å; T223-A227 WeakPolarHBondContact O-CB 3.2Å; T223-A227 PolarHBondContact O-N 3.06Å; T223-T360 VanDerWaalsContact C-CG2 3.49Å; T223-T360 VanDerWaalsContact CB-CG2 3.5Å; T223-T360 WeakPolarHBondContact OG1-CG2 3.31Å
224	T	71.7	Confident	79.1	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.012	15%	0.146	C	C	.	.	H	α-helix	trans	-47.1	-51.1	160.8	-55	0	0	0	0	113.8	K221 T222 A227 I228 V361 Q364 F365	K221-T224 PolarHBondContact O-N 2.88Å; K221-T224 PolarHBondContact O-OG1 2.84Å; T222-T224 PolarHBondContact O-N 2.7Å; T224-A227 PolarHBondContact O-N 3.19Å; T224-I228 HydrophobicContact CG2-CD1 3.86Å; T224-I228 WeakPolarHBondContact O-CB 3.46Å; T224-I228 WeakPolarHBondContact O-CD1 3.32Å; T224-I228 WeakPolarHBondContact O-CG1 3.44Å; T224-I228 PolarHBondContact O-N 3.18Å; T224-V361 HydrophobicContact CG2-CB 4.36Å; T224-V361 HydrophobicContact CG2-CG1 4.15Å; T224-V361 HydrophobicContact CG2-CG2 4.18Å; T224-Q364 HydrophobicContact CG2-CB 4.38Å; T224-Q364 WeakPolarHBondContact OG1-CB 3.42Å; T224-Q364 PolarHBondContact OG1-OE1 3.4Å; T224-F365 HydrophobicContact CG2-CD2 3.75Å; T224-F365 HydrophobicContact CG2-CE2 3.72Å
225	S	82.5	Confident	79.5	Confident	4 Å²	4	25.2 Å²	25.2	3%	0.028	12%	0.124	C	C	.	.	H	α-helix	trans	-65.9	-44.8	177.3	-62.1	0	0	0	0	111.6	T222 T223 A227 I228 F229	T222-S225 WeakPolarHBondContact O-CA 3.46Å; T222-S225 WeakPolarHBondContact O-CB 3.39Å; T222-S225 PolarHBondContact O-N 3.12Å; T223-S225 PolarHBondContact O-N 2.92Å; S225-A227 VanDerWaalsContact C-N 3.29Å; S225-A227 PolarHBondContact O-N 2.79Å; S225-I228 PolarHBondContact O-N 2.99Å; S225-F229 WeakPolarHBondContact O-CD2 3.44Å; S225-F229 PolarHBondContact O-N 3.39Å
226	Q	83.6	Confident	80.2	Confident	56 Å²	56	25 Å²	25	26%	0.262	13%	0.125	S	C	.	.	H	α-helix	trans	-58.8	-41.3	174.4	-75.9	-73.3	-53.4	0	0	111.9	L217 T222 T223 F229 R230	L217-Q226 PolarHBondContact O-NE2 2.88Å; T222-Q226 PolarHBondContact O-N 3.04Å; T222-Q226 VanDerWaalsContact O-N 3.11Å; T223-Q226 PolarHBondContact O-N 3.43Å; Q226-F229 PolarHBondContact O-N 3.22Å; Q226-R230 WeakPolarHBondContact O-CB 3.38Å; Q226-R230 WeakPolarHBondContact O-CD 3.31Å; Q226-R230 WeakPolarHBondContact O-CG 3.09Å; Q226-R230 PolarHBondContact O-N 3.47Å
227	A	86.8	Confident	80.9	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68	-43.5	178.3	0	0	0	0	0	112.4	T223 T224 S225 F229 R230 L231 E357 T360 V361	T223-A227 WeakPolarHBondContact O-CB 3.2Å; T223-A227 PolarHBondContact O-N 3.06Å; T224-A227 PolarHBondContact O-N 3.19Å; S225-A227 VanDerWaalsContact C-N 3.29Å; S225-A227 PolarHBondContact O-N 2.79Å; A227-F229 VanDerWaalsContact C-N 3.33Å; A227-F229 PolarHBondContact O-N 2.82Å; A227-R230 PolarHBondContact O-N 2.81Å; A227-L231 WeakPolarHBondContact O-CB 3.41Å; A227-L231 PolarHBondContact O-N 2.83Å; A227-E357 HydrophobicContact CB-CB 3.71Å; A227-E357 HydrophobicContact CB-CG 3.74Å; A227-T360 HydrophobicContact CB-CG2 4.14Å; A227-V361 HydrophobicContact CB-CG2 3.89Å
228	I	90.8	Very high	81.4	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.015	15%	0.149	C	C	.	.	H	α-helix	trans	-54.5	-48.4	172.1	-76.1	162.5	0	0	0	110.4	T224 S225 L231 Q232 V361 L514 L516 T522	T224-I228 HydrophobicContact CG2-CD1 3.86Å; T224-I228 WeakPolarHBondContact O-CB 3.46Å; T224-I228 WeakPolarHBondContact O-CD1 3.32Å; T224-I228 WeakPolarHBondContact O-CG1 3.44Å; T224-I228 PolarHBondContact O-N 3.18Å; S225-I228 PolarHBondContact O-N 2.99Å; I228-L231 PolarHBondContact O-N 2.92Å; I228-Q232 VanDerWaalsContact O-CB 3.3Å; I228-Q232 WeakPolarHBondContact O-CB 3.37Å; I228-Q232 PolarHBondContact O-N 3.35Å; I228-V361 HydrophobicContact CG1-CG2 3.92Å; I228-L514 HydrophobicContact CG1-CD1 3.83Å; I228-L516 HydrophobicContact CD1-CD1 3.66Å; I228-L516 HydrophobicContact CG1-CD1 4.01Å; I228-T522 HydrophobicContact CG2-CG2 3.91Å
229	F	93.1	Very high	82.4	Confident	20 Å²	20	26.9 Å²	26.9	9%	0.088	14%	0.137	C	C	.	.	H	α-helix	trans	-76.5	-28.6	-177	-68.2	-60.2	0	0	0	113.9	L217 S225 Q226 A227 Q232 S233 T522 M524	L217-F229 HydrophobicContact CD2-CD2 3.55Å; L217-F229 HydrophobicContact CD2-CE2 3.4Å; L217-F229 VanDerWaalsContact CD2-CE2 3.4Å; L217-F229 HydrophobicContact CD2-CZ 4.47Å; S225-F229 WeakPolarHBondContact O-CD2 3.44Å; S225-F229 PolarHBondContact O-N 3.39Å; Q226-F229 PolarHBondContact O-N 3.22Å; A227-F229 VanDerWaalsContact C-N 3.33Å; A227-F229 PolarHBondContact O-N 2.82Å; F229-Q232 VanDerWaalsContact CD1-OE1 3.3Å; F229-S233 PolarHBondContact O-N 2.95Å; F229-T522 WeakPolarHBondContact CE1-O 3.38Å; F229-M524 HydrophobicContact CB-CE 3.8Å; F229-M524 HydrophobicContact CD1-CB 4.07Å; F229-M524 HydrophobicContact CD1-CE 3.66Å; F229-M524 HydrophobicContact CD1-CG 4.36Å; F229-M524 HydrophobicContact CD2-CE 4.23Å; F229-M524 HydrophobicContact CE1-CB 3.67Å; F229-M524 HydrophobicContact CE1-CE 4.42Å; F229-M524 HydrophobicContact CE1-CG 4.24Å; F229-M524 HydrophobicContact CE2-CG 4.42Å; F229-M524 HydrophobicContact CG-CE 3.59Å; F229-M524 VanDerWaalsContact CZ-CA 3.47Å; F229-M524 HydrophobicContact CZ-CB 4.01Å; F229-M524 HydrophobicContact CZ-CG 4.31Å
230	R	92.1	Very high	84.2	Confident	67 Å²	67	30.2 Å²	30.2	25%	0.253	15%	0.149	S	C	.	.	H	α-helix	trans	-65.7	-46.2	167.2	-75.1	167.5	174.5	-143.2	-2.2	111.8	Q114 Q226 A227 S233 G234 E357	Q114-R230 VanDerWaalsContact CD-NH1 3.32Å; Q226-R230 WeakPolarHBondContact O-CB 3.38Å; Q226-R230 WeakPolarHBondContact O-CD 3.31Å; Q226-R230 WeakPolarHBondContact O-CG 3.09Å; Q226-R230 PolarHBondContact O-N 3.47Å; A227-R230 PolarHBondContact O-N 2.81Å; R230-S233 CarbonylContact O-C 3.45Å; R230-S233 WeakPolarHBondContact O-CB 3.42Å; R230-S233 PolarHBondContact O-N 3.41Å; R230-G234 PolarHBondContact O-N 2.88Å; R230-E357 HydrophobicContact CB-CG 3.99Å; R230-E357 WeakPolarHBondContact CD-OE1 3.43Å; R230-E357 IonicContact CZ-OE1 3.19Å; R230-E357 IonicContact NH1-OE1 2.78Å; R230-E357 PolarHBondContact NH1-OE1 3.45Å
231	L	93.8	Very high	86.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.8	-39.4	177.9	-172.4	149	0	0	0	111.4	A227 I228 G234 V235 L350 I358 Y513 L514	A227-L231 WeakPolarHBondContact O-CB 3.41Å; A227-L231 PolarHBondContact O-N 2.83Å; I228-L231 PolarHBondContact O-N 2.92Å; L231-G234 CarbonylContact O-C 3.48Å; L231-G234 VanDerWaalsContact O-CA 3.29Å; L231-G234 WeakPolarHBondContact O-CA 3.19Å; L231-G234 PolarHBondContact O-N 2.92Å; L231-V235 HydrophobicContact CD2-CG2 4.32Å; L231-V235 PolarHBondContact O-N 3.26Å; L231-L350 HydrophobicContact CD2-CD1 4.16Å; L231-L350 HydrophobicContact CD2-CD2 4.25Å; L231-L350 HydrophobicContact CG-CD2 3.97Å; L231-I358 HydrophobicContact CD1-CD1 4.44Å; L231-I358 HydrophobicContact CD1-CG1 3.66Å; L231-Y513 HydrophobicContact CD2-CD1 4.5Å; L231-L514 HydrophobicContact CD1-CD1 4.26Å; L231-L514 HydrophobicContact CD1-CD2 3.89Å; L231-L514 HydrophobicContact CD1-CG 4.3Å; L231-L514 HydrophobicContact CD2-CD1 4.24Å; L231-L514 HydrophobicContact CD2-CG 4.49Å
232	Q	96.1	Very high	89.3	Confident	22 Å²	22	27 Å²	27	10%	0.103	14%	0.136	C	C	.	.	H	α-helix	trans	-61.7	-42.5	171.5	178	169.6	78.4	0	0	112.3	I228 F229 G234 V235 C236 L506 T522	I228-Q232 VanDerWaalsContact O-CB 3.3Å; I228-Q232 WeakPolarHBondContact O-CB 3.37Å; I228-Q232 PolarHBondContact O-N 3.35Å; F229-Q232 VanDerWaalsContact CD1-OE1 3.3Å; Q232-G234 PolarHBondContact O-N 2.99Å; Q232-V235 PolarHBondContact O-N 2.82Å; Q232-C236 PolarHBondContact O-N 3.05Å; Q232-L506 HydrophobicContact CG-CD1 3.93Å; Q232-L506 HydrophobicContact CG-CD2 3.64Å; Q232-L506 HydrophobicContact CG-CG 3.79Å; Q232-T522 PolarHBondContact NE2-O 3.32Å
233	S	97.3	Very high	91.6	Very high	78 Å²	78	27 Å²	27	55%	0.545	14%	0.136	S	C	.	.	H	α-helix	trans	-62.3	-35.2	170.7	-167.1	0	0	0	0	111.6	F229 R230 C236 Q237	F229-S233 PolarHBondContact O-N 2.95Å; R230-S233 CarbonylContact O-C 3.45Å; R230-S233 WeakPolarHBondContact O-CB 3.42Å; R230-S233 PolarHBondContact O-N 3.41Å; S233-C236 PolarHBondContact O-N 3.2Å; S233-Q237 WeakPolarHBondContact O-CB 3.33Å; S233-Q237 PolarHBondContact O-N 3.45Å
234	G	97	Very high	93.6	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-45.7	171.5	0	0	0	0	0	113.4	R230 L231 Q232 Q237 L238	R230-G234 PolarHBondContact O-N 2.88Å; L231-G234 CarbonylContact O-C 3.48Å; L231-G234 VanDerWaalsContact O-CA 3.29Å; L231-G234 WeakPolarHBondContact O-CA 3.19Å; L231-G234 PolarHBondContact O-N 2.92Å; Q232-G234 PolarHBondContact O-N 2.99Å; G234-Q237 PolarHBondContact O-N 3.45Å; G234-L238 WeakPolarHBondContact O-CB 3.39Å; G234-L238 VanDerWaalsContact O-CG 3.25Å; G234-L238 WeakPolarHBondContact O-CG 3.39Å; G234-L238 PolarHBondContact O-N 2.64Å
235	V	97.8	Very high	94.8	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-57.9	-50.4	172.9	174.8	0	0	0	0	110.3	L231 Q232 Q237 L238 F239 L322 I346 L350 L506 V509	L231-V235 HydrophobicContact CD2-CG2 4.32Å; L231-V235 PolarHBondContact O-N 3.26Å; Q232-V235 PolarHBondContact O-N 2.82Å; V235-Q237 VanDerWaalsContact C-N 3.26Å; V235-Q237 PolarHBondContact O-N 3.32Å; V235-L238 PolarHBondContact O-N 2.68Å; V235-F239 VanDerWaalsContact O-CB 3.23Å; V235-F239 WeakPolarHBondContact O-CB 3.36Å; V235-F239 PolarHBondContact O-N 2.83Å; V235-L322 HydrophobicContact CG1-CD1 3.87Å; V235-I346 HydrophobicContact CG1-CG2 4.32Å; V235-I346 HydrophobicContact CG2-CG2 4.26Å; V235-L350 HydrophobicContact CG2-CD1 3.9Å; V235-L350 HydrophobicContact CG2-CD2 4.1Å; V235-L350 HydrophobicContact CG2-CG 4.45Å; V235-L506 HydrophobicContact CB-CD1 3.92Å; V235-L506 HydrophobicContact CG1-CD1 3.62Å; V235-V509 HydrophobicContact CG1-CG1 4.35Å
236	C	98.1	Very high	95.5	Very high	19 Å²	19	40.6 Å²	40.6	13%	0.128	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-31.7	177.2	-85.4	0	0	0	0	114.1	Q232 S233 R240 L506	Q232-C236 PolarHBondContact O-N 3.05Å; S233-C236 PolarHBondContact O-N 3.2Å; C236-R240 WeakPolarHBondContact O-CG 3.16Å; C236-R240 PolarHBondContact O-NH1 3.13Å; C236-L506 WeakPolarHBondContact SG-CD2 3.41Å
237	Q	98.1	Very high	96.2	Very high	104 Å²	104	40.4 Å²	40.4	49%	0.486	21%	0.214	S	C	.	.	H	α-helix	trans	-76	-53.6	174.6	-175.2	-172.5	-24.1	0	0	110.7	S233 G234 V235 F239 R240 D241	S233-Q237 WeakPolarHBondContact O-CB 3.33Å; S233-Q237 PolarHBondContact O-N 3.45Å; G234-Q237 PolarHBondContact O-N 3.45Å; V235-Q237 VanDerWaalsContact C-N 3.26Å; V235-Q237 PolarHBondContact O-N 3.32Å; Q237-F239 VanDerWaalsContact C-N 3.26Å; Q237-F239 PolarHBondContact O-N 3.29Å; Q237-R240 PolarHBondContact O-N 3.35Å; Q237-R240 VanDerWaalsContact O-N 3.08Å; Q237-D241 WeakPolarHBondContact CG-OD2 3.44Å; Q237-D241 PolarHBondContact NE2-OD2 3.04Å; Q237-D241 WeakPolarHBondContact O-CB 3.35Å; Q237-D241 PolarHBondContact O-N 3.06Å
238	L	98.2	Very high	96.7	Very high	24 Å²	24	40.9 Å²	40.9	13%	0.126	22%	0.215	C	C	.	.	H	α-helix	trans	-60.8	-34.9	-176.7	-69.6	166.1	0	0	0	112.2	G234 V235 T242 I346 L350 F354	G234-L238 WeakPolarHBondContact O-CB 3.39Å; G234-L238 VanDerWaalsContact O-CG 3.25Å; G234-L238 WeakPolarHBondContact O-CG 3.39Å; G234-L238 PolarHBondContact O-N 2.64Å; V235-L238 PolarHBondContact O-N 2.68Å; L238-T242 WeakPolarHBondContact O-CB 3.42Å; L238-T242 PolarHBondContact O-N 3.39Å; L238-T242 PolarHBondContact O-OG1 3.43Å; L238-I346 HydrophobicContact CB-CB 4.43Å; L238-I346 HydrophobicContact CB-CG1 3.86Å; L238-L350 HydrophobicContact CD1-CD2 3.9Å; L238-L350 HydrophobicContact CD1-CG 4.09Å; L238-F354 HydrophobicContact CD1-CE2 4.48Å
239	F	98.3	Very high	97.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.6	-55.5	170.6	179.4	-94.9	0	0	0	111.5	V235 Q237 T242 L243 F299 V301 L322 I324 T342 I346 I504	V235-F239 VanDerWaalsContact O-CB 3.23Å; V235-F239 WeakPolarHBondContact O-CB 3.36Å; V235-F239 PolarHBondContact O-N 2.83Å; Q237-F239 VanDerWaalsContact C-N 3.26Å; Q237-F239 PolarHBondContact O-N 3.29Å; F239-T242 PolarHBondContact O-N 2.85Å; F239-L243 HydrophobicContact CD1-CD1 3.97Å; F239-L243 HydrophobicContact CD2-CD1 4.03Å; F239-L243 HydrophobicContact CE1-CD1 3.57Å; F239-L243 HydrophobicContact CE2-CD1 3.64Å; F239-L243 HydrophobicContact CG-CD1 4.19Å; F239-L243 HydrophobicContact CZ-CD1 3.39Å; F239-L243 WeakPolarHBondContact O-CB 3.45Å; F239-L243 WeakPolarHBondContact O-CG 3.32Å; F239-L243 PolarHBondContact O-N 3Å; F239-F299 HydrophobicContact CD1-CD2 4.43Å; F239-F299 HydrophobicContact CE1-CB 4.13Å; F239-F299 AromaticContact CE1-CD2 3.78Å; F239-F299 HydrophobicContact CE1-CD2 3.78Å; F239-F299 HydrophobicContact CE1-CE2 4.48Å; F239-F299 HydrophobicContact CE1-CG 4.13Å; F239-F299 HydrophobicContact CZ-CB 4.3Å; F239-V301 HydrophobicContact CD1-CG2 3.76Å; F239-V301 HydrophobicContact CE1-CG2 3.64Å; F239-L322 HydrophobicContact CB-CD1 4.42Å; F239-L322 HydrophobicContact CD1-CB 4.21Å; F239-L322 HydrophobicContact CD2-CB 3.93Å; F239-L322 HydrophobicContact CD2-CD1 4.09Å; F239-L322 HydrophobicContact CE1-CB 3.9Å; F239-L322 HydrophobicContact CE2-CB 3.58Å; F239-L322 HydrophobicContact CG-CB 4.23Å; F239-L322 HydrophobicContact CG-CD1 4.19Å; F239-L322 HydrophobicContact CZ-CB 3.57Å; F239-I324 HydrophobicContact CE2-CD1 3.78Å; F239-I324 HydrophobicContact CE2-CG1 3.83Å; F239-I324 HydrophobicContact CZ-CD1 4.18Å; F239-I324 HydrophobicContact CZ-CG1 3.72Å; F239-T342 HydrophobicContact CD2-CG2 4.42Å; F239-I346 HydrophobicContact CB-CD1 4.01Å; F239-I346 HydrophobicContact CD2-CD1 4.24Å; F239-I504 HydrophobicContact CD2-CD1 4.48Å; F239-I504 HydrophobicContact CE2-CD1 3.96Å
240	R	98.4	Very high	97.4	Very high	71 Å²	71	46.4 Å²	46.4	27%	0.268	25%	0.246	S	C	.	.	H	α-helix	trans	-60.9	-49.6	177.8	-74.2	-170.6	174.4	86.9	-5.5	112.3	C236 Q237 T242 L243 T244 E250 F299	C236-R240 WeakPolarHBondContact O-CG 3.16Å; C236-R240 PolarHBondContact O-NH1 3.13Å; Q237-R240 PolarHBondContact O-N 3.35Å; Q237-R240 VanDerWaalsContact O-N 3.08Å; R240-T242 VanDerWaalsContact C-N 3.26Å; R240-T242 PolarHBondContact O-N 3.33Å; R240-L243 PolarHBondContact O-N 2.79Å; R240-T244 VanDerWaalsContact O-CB 3.23Å; R240-T244 WeakPolarHBondContact O-CB 3.42Å; R240-T244 PolarHBondContact O-N 3.08Å; R240-T244 PolarHBondContact O-OG1 3.32Å; R240-E250 IonicContact CZ-OE1 3.22Å; R240-E250 VanDerWaalsContact CZ-OE1 3.3Å; R240-E250 IonicContact NE-OE1 2.8Å; R240-E250 PolarHBondContact NE-OE1 3.31Å; R240-E250 IonicContact NE-OE2 3.78Å; R240-E250 PolarHBondContact NE-OE2 3.03Å; R240-E250 IonicContact NH2-OE1 2.8Å; R240-E250 PolarHBondContact NH2-OE1 2.91Å; R240-F299 HydrophobicContact CB-CZ 4.24Å; R240-F299 HydrophobicContact CG-CE2 3.74Å; R240-F299 HydrophobicContact CG-CZ 3.91Å
241	D	98.1	Very high	97.7	Very high	59 Å²	59	44 Å²	44	32%	0.316	24%	0.238	S	C	.	.	H	α-helix	trans	-60.9	-37.1	-177.2	-75.2	-4.2	0	0	0	111.2	Q237 K245	Q237-D241 WeakPolarHBondContact CG-OD2 3.44Å; Q237-D241 PolarHBondContact NE2-OD2 3.04Å; Q237-D241 WeakPolarHBondContact O-CB 3.35Å; Q237-D241 PolarHBondContact O-N 3.06Å; D241-K245 WeakPolarHBondContact O-CB 3.22Å; D241-K245 WeakPolarHBondContact O-CD 3.42Å; D241-K245 VanDerWaalsContact O-CE 3.31Å; D241-K245 WeakPolarHBondContact O-CE 3.23Å; D241-K245 WeakPolarHBondContact O-CG 3.46Å; D241-K245 PolarHBondContact O-N 2.66Å
242	T	97.9	Very high	97.8	Very high	13 Å²	13	50.6 Å²	50.6	8%	0.08	27%	0.269	C	S	.	.	H	α-helix	trans	-75.6	-45.7	179.4	-56.7	0	0	0	0	111.8	L238 F239 R240 K245 K246 T342 Q345	L238-T242 WeakPolarHBondContact O-CB 3.42Å; L238-T242 PolarHBondContact O-N 3.39Å; L238-T242 PolarHBondContact O-OG1 3.43Å; F239-T242 PolarHBondContact O-N 2.85Å; R240-T242 VanDerWaalsContact C-N 3.26Å; R240-T242 PolarHBondContact O-N 3.33Å; T242-K245 PolarHBondContact O-N 2.82Å; T242-K246 WeakPolarHBondContact O-CG 3.48Å; T242-K246 PolarHBondContact O-N 3.23Å; T242-K246 VanDerWaalsContact O-N 3.13Å; T242-T342 HydrophobicContact CG2-CG2 4.09Å; T242-Q345 HydrophobicContact CG2-CB 3.96Å; T242-Q345 HydrophobicContact CG2-CG 3.93Å
243	L	98	Very high	97.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-69.3	-37.4	179.9	-66.8	175.4	0	0	0	112.1	F239 R240 K245 K246 G247 F248 F299 I324 T342	F239-L243 HydrophobicContact CD1-CD1 3.97Å; F239-L243 HydrophobicContact CD2-CD1 4.03Å; F239-L243 HydrophobicContact CE1-CD1 3.57Å; F239-L243 HydrophobicContact CE2-CD1 3.64Å; F239-L243 HydrophobicContact CG-CD1 4.19Å; F239-L243 HydrophobicContact CZ-CD1 3.39Å; F239-L243 WeakPolarHBondContact O-CB 3.45Å; F239-L243 WeakPolarHBondContact O-CG 3.32Å; F239-L243 PolarHBondContact O-N 3Å; R240-L243 PolarHBondContact O-N 2.79Å; L243-K245 VanDerWaalsContact C-N 3.34Å; L243-K245 PolarHBondContact O-N 2.72Å; L243-K246 CarbonylContact O-C 3.57Å; L243-K246 WeakPolarHBondContact O-CA 3.06Å; L243-K246 WeakPolarHBondContact O-CB 3.49Å; L243-K246 PolarHBondContact O-N 3.13Å; L243-G247 PolarHBondContact O-N 2.85Å; L243-F248 HydrophobicContact CB-CB 3.99Å; L243-F248 HydrophobicContact CB-CD2 4.16Å; L243-F248 HydrophobicContact CB-CG 4.06Å; L243-F248 HydrophobicContact CD2-CD1 4.32Å; L243-F248 HydrophobicContact CD2-CD2 3.91Å; L243-F248 HydrophobicContact CD2-CE1 4.31Å; L243-F248 HydrophobicContact CD2-CE2 3.86Å; L243-F248 HydrophobicContact CD2-CG 4.15Å; L243-F248 HydrophobicContact CD2-CZ 4.08Å; L243-F248 WeakPolarHBondContact O-CB 3.32Å; L243-F248 WeakPolarHBondContact O-CD2 3.44Å; L243-F248 PolarHBondContact O-N 3.38Å; L243-F299 HydrophobicContact CB-CD1 3.67Å; L243-F299 HydrophobicContact CB-CE1 3.93Å; L243-F299 HydrophobicContact CB-CG 4.45Å; L243-F299 HydrophobicContact CD1-CB 3.75Å; L243-F299 HydrophobicContact CD1-CD1 3.93Å; L243-F299 HydrophobicContact CD1-CG 3.88Å; L243-F299 HydrophobicContact CG-CD1 4.47Å; L243-I324 HydrophobicContact CD1-CD1 3.94Å; L243-I324 HydrophobicContact CD1-CG1 3.88Å; L243-I324 HydrophobicContact CD2-CD1 4.11Å; L243-T342 HydrophobicContact CD2-CG2 3.93Å; L243-T342 HydrophobicContact CG-CG2 3.99Å
244	T	97.8	Very high	97.6	Very high	84 Å²	84	49.5 Å²	49.5	52%	0.515	26%	0.262	S	S	.	.	H	α-helix	trans	-61.8	-41	173.4	-53.1	0	0	0	0	111.1	R240 K246 G247	R240-T244 VanDerWaalsContact O-CB 3.23Å; R240-T244 WeakPolarHBondContact O-CB 3.42Å; R240-T244 PolarHBondContact O-N 3.08Å; R240-T244 PolarHBondContact O-OG1 3.32Å; T244-K246 PolarHBondContact O-N 3.27Å; T244-G247 PolarHBondContact O-N 3.05Å
245	K	97.8	Very high	97.5	Very high	171 Å²	171	51.2 Å²	51.2	74%	0.743	27%	0.269	S	S	*	.	H	α-helix	trans	-64.3	-27.4	173.4	-72.2	162.9	-162.5	162.2	0	113.2	D241 T242 L243 G247	D241-K245 WeakPolarHBondContact O-CB 3.22Å; D241-K245 WeakPolarHBondContact O-CD 3.42Å; D241-K245 VanDerWaalsContact O-CE 3.31Å; D241-K245 WeakPolarHBondContact O-CE 3.23Å; D241-K245 WeakPolarHBondContact O-CG 3.46Å; D241-K245 PolarHBondContact O-N 2.66Å; T242-K245 PolarHBondContact O-N 2.82Å; L243-K245 VanDerWaalsContact C-N 3.34Å; L243-K245 PolarHBondContact O-N 2.72Å; K245-G247 VanDerWaalsContact C-N 3.29Å
246	K	97.3	Very high	97.2	Very high	59 Å²	59	55.5 Å²	55.5	26%	0.257	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	1.9	173.3	-70.4	175.2	177.2	176.2	0	113.8	T242 L243 T244 F248 S338 D341 T342	T242-K246 WeakPolarHBondContact O-CG 3.48Å; T242-K246 PolarHBondContact O-N 3.23Å; T242-K246 VanDerWaalsContact O-N 3.13Å; L243-K246 CarbonylContact O-C 3.57Å; L243-K246 WeakPolarHBondContact O-CA 3.06Å; L243-K246 WeakPolarHBondContact O-CB 3.49Å; L243-K246 PolarHBondContact O-N 3.13Å; T244-K246 PolarHBondContact O-N 3.27Å; K246-F248 HydrophobicContact CB-CD2 3.69Å; K246-F248 HydrophobicContact CB-CE2 3.77Å; K246-F248 HydrophobicContact CD-CE2 4.31Å; K246-S338 PolarHBondContact NZ-O 2.84Å; K246-D341 WeakPolarHBondContact CE-OD2 3.45Å; K246-D341 IonicContact NZ-OD2 3.96Å; K246-D341 PolarHBondContact NZ-OD2 3.11Å; K246-T342 PolarHBondContact NZ-OG1 3.22Å
247	G	97.6	Very high	96.8	Very high	53 Å²	53	55.1 Å²	55.1	55%	0.546	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	18.2	179	0	0	0	0	0	115.3	L243 T244 K245	L243-G247 PolarHBondContact O-N 2.85Å; T244-G247 PolarHBondContact O-N 3.05Å; K245-G247 VanDerWaalsContact C-N 3.29Å
248	F	98.4	Very high	96	Very high	9 Å²	9	55.2 Å²	55.2	4%	0.039	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-76.7	150.7	172.8	-70	-112.8	0	0	0	111.9	L243 K246 K297 F299 I324 M326	L243-F248 HydrophobicContact CB-CB 3.99Å; L243-F248 HydrophobicContact CB-CD2 4.16Å; L243-F248 HydrophobicContact CB-CG 4.06Å; L243-F248 HydrophobicContact CD2-CD1 4.32Å; L243-F248 HydrophobicContact CD2-CD2 3.91Å; L243-F248 HydrophobicContact CD2-CE1 4.31Å; L243-F248 HydrophobicContact CD2-CE2 3.86Å; L243-F248 HydrophobicContact CD2-CG 4.15Å; L243-F248 HydrophobicContact CD2-CZ 4.08Å; L243-F248 WeakPolarHBondContact O-CB 3.32Å; L243-F248 WeakPolarHBondContact O-CD2 3.44Å; L243-F248 PolarHBondContact O-N 3.38Å; K246-F248 HydrophobicContact CB-CD2 3.69Å; K246-F248 HydrophobicContact CB-CE2 3.77Å; K246-F248 HydrophobicContact CD-CE2 4.31Å; F248-K297 WeakPolarHBondContact CA-O 3.42Å; F248-K297 HydrophobicContact CB-CB 4.16Å; F248-K297 HydrophobicContact CD1-CB 3.61Å; F248-K297 HydrophobicContact CD1-CG 4.4Å; F248-K297 HydrophobicContact CD2-CB 4.03Å; F248-K297 HydrophobicContact CD2-CD 3.92Å; F248-K297 HydrophobicContact CD2-CG 4.41Å; F248-K297 HydrophobicContact CE1-CB 3.9Å; F248-K297 HydrophobicContact CE1-CG 4.22Å; F248-K297 HydrophobicContact CE2-CB 4.33Å; F248-K297 HydrophobicContact CE2-CD 3.76Å; F248-K297 HydrophobicContact CE2-CG 4.28Å; F248-K297 HydrophobicContact CG-CB 3.66Å; F248-K297 HydrophobicContact CG-CD 4.43Å; F248-K297 HydrophobicContact CG-CG 4.47Å; F248-K297 HydrophobicContact CZ-CB 4.26Å; F248-K297 HydrophobicContact CZ-CD 4.11Å; F248-K297 HydrophobicContact CZ-CG 4.17Å; F248-F299 HydrophobicContact CB-CD1 3.7Å; F248-F299 HydrophobicContact CB-CE1 4.26Å; F248-I324 HydrophobicContact CD1-CG2 4.36Å; F248-I324 HydrophobicContact CE1-CG2 3.58Å; F248-I324 HydrophobicContact CZ-CG2 4.22Å; F248-M326 HydrophobicContact CE1-CB 3.99Å; F248-M326 HydrophobicContact CE2-SD 4.43Å; F248-M326 HydrophobicContact CZ-CB 4.15Å; F248-M326 HydrophobicContact CZ-CG 4.45Å; F248-M326 HydrophobicContact CZ-SD 3.75Å
249	V	98.5	Very high	94.8	Very high	66 Å²	66	54.8 Å²	54.8	40%	0.4	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.2	176.1	-176.9	0	0	0	0	110.9	I251 F295 K297 V298 F299	V249-I251 HydrophobicContact CG1-CG2 4.47Å; V249-I251 PolarHBondContact O-N 3.45Å; V249-F295 HydrophobicContact CG1-CD1 4.46Å; V249-F295 HydrophobicContact CG2-CD1 4.45Å; V249-K297 PolarHBondContact N-O 2.93Å; V249-V298 WeakPolarHBondContact O-CA 3.2Å; V249-F299 PolarHBondContact O-N 3.36Å
250	E	98.5	Very high	93.5	Very high	73 Å²	73	56 Å²	56	34%	0.341	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	119	171	-170	162.1	-167.6	0	0	110.2	R240 F299	R240-E250 IonicContact CZ-OE1 3.22Å; R240-E250 VanDerWaalsContact CZ-OE1 3.3Å; R240-E250 IonicContact NE-OE1 2.8Å; R240-E250 PolarHBondContact NE-OE1 3.31Å; R240-E250 IonicContact NE-OE2 3.78Å; R240-E250 PolarHBondContact NE-OE2 3.03Å; R240-E250 IonicContact NH2-OE1 2.8Å; R240-E250 PolarHBondContact NH2-OE1 2.91Å; E250-F299 CarbonylContact C-O 3.58Å; E250-F299 WeakPolarHBondContact CA-O 3.23Å; E250-F299 HydrophobicContact CB-CD2 4.22Å; E250-F299 HydrophobicContact CB-CE1 4.16Å; E250-F299 HydrophobicContact CB-CE2 3.53Å; E250-F299 HydrophobicContact CB-CZ 3.51Å; E250-F299 VanDerWaalsContact CD-CE2 3.49Å; E250-F299 HydrophobicContact CG-CD2 4.03Å; E250-F299 HydrophobicContact CG-CE2 3.43Å; E250-F299 VanDerWaalsContact CG-CE2 3.43Å; E250-F299 HydrophobicContact CG-CZ 3.95Å
251	I	97.9	Very high	91.7	Very high	17 Å²	17	52.7 Å²	52.7	9%	0.087	30%	0.297	C	S	.	.			trans	-109.5	148.3	178.4	65.1	167.2	0	0	0	111.9	V249 T253 K287 C290 V298 F299 C300	V249-I251 HydrophobicContact CG1-CG2 4.47Å; V249-I251 PolarHBondContact O-N 3.45Å; I251-T253 HydrophobicContact CD1-CG2 4.04Å; I251-T253 HydrophobicContact CG1-CG2 4.36Å; I251-K287 HydrophobicContact CD1-CG 4.42Å; I251-C290 HydrophobicContact CD1-CB 4.15Å; I251-V298 HydrophobicContact CD1-CB 3.97Å; I251-V298 HydrophobicContact CD1-CG1 4.4Å; I251-V298 HydrophobicContact CD1-CG2 4Å; I251-V298 HydrophobicContact CG1-CB 4.2Å; I251-V298 HydrophobicContact CG2-CB 4.08Å; I251-V298 HydrophobicContact CG2-CG1 3.82Å; I251-F299 WeakPolarHBondContact CG1-O 3.44Å; I251-F299 PolarHBondContact N-O 2.83Å; I251-C300 HydrophobicContact CG1-CB 4.22Å; I251-C300 PolarHBondContact O-SG 2.9Å
252	Q	97.8	Very high	90	Very high	139 Å²	139	52.9 Å²	52.9	65%	0.65	30%	0.296	S	S	*	.			trans	-115.2	90.2	-178.1	-61.1	-59	-29.8	0	0	109.9
253	T	94.8	Very high	88	Confident	15 Å²	15	54.5 Å²	54.5	9%	0.092	32%	0.315	C	S	.	.			trans	-76.5	146.3	-178.4	81.3	0	0	0	0	111.1	I251 K255 P283	I251-T253 HydrophobicContact CD1-CG2 4.04Å; I251-T253 HydrophobicContact CG1-CG2 4.36Å; T253-K255 PolarHBondContact OG1-NZ 3.17Å; T253-P283 HydrophobicContact CG2-CB 3.9Å
254	P	93.9	Very high	86	Confident	62 Å²	62	56.2 Å²	56.2	40%	0.403	33%	0.333	S	S	.	.			trans	-60.8	149.4	166.7	29.7	-35.7	0	0	0	110	Y286	P254-Y286 HydrophobicContact CG-CD1 4.18Å; P254-Y286 HydrophobicContact CG-CD2 4.19Å; P254-Y286 HydrophobicContact CG-CE1 3.7Å; P254-Y286 HydrophobicContact CG-CE2 3.71Å; P254-Y286 HydrophobicContact CG-CG 4.41Å; P254-Y286 VanDerWaalsContact CG-CZ 3.46Å
255	K	93.9	Very high	83.9	Confident	36 Å²	36	56.8 Å²	56.8	16%	0.157	35%	0.346	C	S	.	.	S	Bend	trans	-113.8	-4.8	178.6	-51.7	-60.4	-179.5	-174.5	0	113.1	T253 L279 A280 P303 F305	T253-K255 PolarHBondContact OG1-NZ 3.17Å; K255-L279 WeakPolarHBondContact O-CA 3.39Å; K255-A280 PolarHBondContact O-N 3.13Å; K255-P303 HydrophobicContact CG-CG 4.29Å; K255-F305 HydrophobicContact CB-CE2 4.24Å
256	I	92.4	Very high	82.8	Confident	91 Å²	91	52.7 Å²	52.7	47%	0.467	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.8	168	-60.7	173	0	0	0	106.8	V270 Y272 A277 Y278 L279	I256-V270 HydrophobicContact CG2-CG2 4.37Å; I256-Y272 HydrophobicContact CG2-CD2 4.41Å; I256-A277 HydrophobicContact CG2-CB 3.56Å; I256-Y278 CarbonylContact C-O 3.26Å; I256-Y278 WeakPolarHBondContact CA-O 3.3Å; I256-L279 HydrophobicContact CG1-CD2 4.09Å
257	I	88.3	Confident	82.1	Confident	12 Å²	12	50.9 Å²	50.9	6%	0.062	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152.3	-169.3	60.5	176.6	0	0	0	111.6	A259 Y278 A280 Y286	I257-A259 WeakPolarHBondContact CD1-O 3.2Å; I257-A259 VanDerWaalsContact CG1-O 3.24Å; I257-A259 WeakPolarHBondContact CG1-O 3.43Å; I257-Y278 WeakPolarHBondContact CG1-O 3.36Å; I257-Y278 PolarHBondContact N-O 3.16Å; I257-Y278 PolarHBondContact O-N 2.89Å; I257-A280 HydrophobicContact CD1-CB 4.07Å; I257-A280 HydrophobicContact CG2-CB 4.28Å; I257-Y286 HydrophobicContact CG2-CE2 3.68Å
258	S	82.1	Confident	81.7	Confident	106 Å²	106	52 Å²	52	74%	0.741	32%	0.316	S	S	*	.	S	Bend	trans	-79	-15.1	-175.1	51.7	0	0	0	0	114.8
259	A	73.6	Confident	81.3	Confident	15 Å²	15	55.6 Å²	55.6	12%	0.124	34%	0.339	C	S	.	.	S	Bend	trans	-149.4	160.1	179.3	0	0	0	0	0	110.4	I257 S261 K484	I257-A259 WeakPolarHBondContact CD1-O 3.2Å; I257-A259 VanDerWaalsContact CG1-O 3.24Å; I257-A259 WeakPolarHBondContact CG1-O 3.43Å; A259-S261 PolarHBondContact O-N 3.35Å; A259-K484 HydrophobicContact CB-CB 3.83Å; A259-K484 HydrophobicContact CB-CD 4.39Å; A259-K484 HydrophobicContact CB-CG 4.35Å
260	A	69.9	Low	81	Confident	24 Å²	24	54.6 Å²	54.6	20%	0.198	33%	0.333	C	S	.	.			trans	-60.8	129.3	174.4	0	0	0	0	0	111.2	E262 V267	A260-E262 PolarHBondContact O-N 2.95Å; A260-V267 HydrophobicContact CB-CG1 3.7Å; A260-V267 HydrophobicContact CB-CG2 4.24Å
261	S	61	Low	80.7	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.021	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-26.3	-172.8	42.7	0	0	0	0	114.3	A259 Q281	A259-S261 PolarHBondContact O-N 3.35Å; S261-Q281 PolarHBondContact OG-N 2.78Å
262	E	63.8	Low	80.4	Confident	63 Å²	63	61.2 Å²	61.2	29%	0.294	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129	19.8	-170.5	-57.6	-175.2	144.2	0	0	112.6	A260 G264 S282 Y435	A260-E262 PolarHBondContact O-N 2.95Å; E262-G264 PolarHBondContact O-N 3.28Å; E262-S282 WeakPolarHBondContact OE1-CB 3.39Å; E262-Y435 HydrophobicContact CG-CE1 4.5Å; E262-Y435 PolarHBondContact OE1-OH 2.99Å
263	G	54	Low	80.2	Confident	47 Å²	47	63.2 Å²	63.2	49%	0.485	38%	0.379	S	S	.	.	S	Bend	trans	73	-19.6	175.3	0	0	0	0	0	116.3
264	G	57.5	Low	80.1	Confident	35 Å²	35	72.7 Å²	72.7	36%	0.361	42%	0.419	S	S	.	.			trans	-65.6	145.6	-178.9	0	0	0	0	0	114.4	E262 N266	E262-G264 PolarHBondContact O-N 3.28Å; G264-N266 PolarHBondContact O-N 3.02Å
265	A	53.7	Low	79.8	Confident	97 Å²	97	73 Å²	73	80%	0.802	42%	0.422	S	S	*	.	S	Bend	trans	-66.9	-20.6	179.4	0	0	0	0	0	114.2	V267	A265-V267 VanDerWaalsContact C-N 3.33Å; A265-V267 PolarHBondContact O-N 2.84Å
266	N	73	Confident	79.5	Confident	84 Å²	84	74.8 Å²	74.8	45%	0.449	44%	0.439	S	S	.	.			trans	-87.7	65	-171.8	-63.4	-13	0	0	0	112	G264 Q281 A307 E308	G264-N266 PolarHBondContact O-N 3.02Å; N266-Q281 PolarHBondContact O-NE2 2.85Å; N266-A307 WeakPolarHBondContact O-CB 3.2Å; N266-A307 PolarHBondContact O-N 2.9Å; N266-E308 HydrophobicContact CB-CG 4.14Å
267	V	83.9	Confident	79.4	Confident	22 Å²	22	70.7 Å²	70.7	13%	0.133	42%	0.419	C	S	.	.			trans	-112.5	135.9	174.2	-75.9	0	0	0	0	112.5	A260 A265 T269 Y278 Q281	A260-V267 HydrophobicContact CB-CG1 3.7Å; A260-V267 HydrophobicContact CB-CG2 4.24Å; A265-V267 VanDerWaalsContact C-N 3.33Å; A265-V267 PolarHBondContact O-N 2.84Å; V267-T269 PolarHBondContact O-N 3.35Å; V267-Y278 HydrophobicContact CB-CD1 4.13Å; V267-Y278 HydrophobicContact CG2-CD1 3.58Å; V267-Y278 HydrophobicContact CG2-CE1 4.04Å; V267-Y278 HydrophobicContact CG2-CG 4.36Å; V267-Q281 HydrophobicContact CG1-CG 3.89Å
268	F	88.9	Confident	79.5	Confident	76 Å²	76	73 Å²	73	33%	0.333	43%	0.427	S	S	.	.			trans	-68.7	117.8	169.8	-71.8	-69.6	0	0	0	109.8	Y278 L279 F305 R306 A307 T317	F268-Y278 CarbonylContact O-C 3.29Å; F268-Y278 VanDerWaalsContact O-CA 3.26Å; F268-Y278 WeakPolarHBondContact O-CA 3.3Å; F268-L279 HydrophobicContact CB-CB 4.13Å; F268-L279 HydrophobicContact CB-CD1 3.89Å; F268-L279 HydrophobicContact CB-CG 4Å; F268-L279 HydrophobicContact CD2-CD1 4.48Å; F268-L279 HydrophobicContact CG-CD1 4.41Å; F268-L279 PolarHBondContact O-N 2.82Å; F268-F305 HydrophobicContact CD2-CB 4.09Å; F268-R306 WeakPolarHBondContact CE2-O 3.49Å; F268-A307 HydrophobicContact CD1-CB 3.87Å; F268-A307 HydrophobicContact CD2-CB 3.65Å; F268-A307 HydrophobicContact CE1-CB 3.83Å; F268-A307 HydrophobicContact CE2-CB 3.63Å; F268-A307 HydrophobicContact CG-CB 3.77Å; F268-A307 HydrophobicContact CZ-CB 3.71Å; F268-T317 HydrophobicContact CZ-CG2 4.08Å
269	T	90.2	Very high	80	Confident	84 Å²	84	69.6 Å²	69.6	52%	0.515	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.7	175.6	-54.3	0	0	0	0	110	V267 Y278	V267-T269 PolarHBondContact O-N 3.35Å; T269-Y278 HydrophobicContact CG2-CD1 4.3Å; T269-Y278 HydrophobicContact CG2-CE1 3.97Å; T269-Y278 VanDerWaalsContact OG1-CE1 3.31Å; T269-Y278 WeakPolarHBondContact OG1-CE1 3.36Å
270	V	91.6	Very high	80.7	Confident	46 Å²	46	69 Å²	69	28%	0.279	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.2	177.4	-62.1	0	0	0	0	110.9	I256 Y272 A277 L279	I256-V270 HydrophobicContact CG2-CG2 4.37Å; V270-Y272 PolarHBondContact O-N 3.12Å; V270-A277 HydrophobicContact CG2-CB 4.05Å; V270-A277 PolarHBondContact N-O 3.31Å; V270-A277 PolarHBondContact O-N 3.42Å; V270-L279 HydrophobicContact CG1-CD2 4.09Å; V270-L279 HydrophobicContact CG1-CG 4.12Å
271	S	93.1	Very high	81.5	Confident	114 Å²	114	68.7 Å²	68.7	80%	0.797	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	123.7	174.6	-175	0	0	0	0	110.2
272	Y	91	Very high	82.8	Confident	115 Å²	115	69.4 Å²	69.4	45%	0.451	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	85	-177.3	-166.3	-102.8	0	0	0	110.4	I256 V270 K274 S275 A277	I256-Y272 HydrophobicContact CG2-CD2 4.41Å; V270-Y272 PolarHBondContact O-N 3.12Å; Y272-K274 PolarHBondContact O-N 3.44Å; Y272-S275 CarbonylContact C-O 3.48Å; Y272-S275 VanDerWaalsContact C-O 3.29Å; Y272-S275 WeakPolarHBondContact CA-O 3.43Å; Y272-S275 PolarHBondContact N-O 3.03Å; Y272-S275 CarbonylContact O-C 3.58Å; Y272-S275 PolarHBondContact O-N 2.98Å; Y272-S275 PolarHBondContact O-OG 3.48Å; Y272-A277 HydrophobicContact CD2-CB 4.46Å; Y272-A277 HydrophobicContact CG-CB 4.05Å
273	F	93.3	Very high	84.1	Confident	181 Å²	181	66.5 Å²	66.5	79%	0.794	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	-92.4	-176	-58.5	-85.2	0	0	0	114.4
274	K	92.4	Very high	85.9	Confident	214 Å²	214	64.5 Å²	64.5	93%	0.93	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	12	180	-64.8	-175.1	178.7	-179.3	0	112.5	Y272	Y272-K274 PolarHBondContact O-N 3.44Å
275	S	88.6	Confident	87.5	Confident	68 Å²	68	64 Å²	64	48%	0.476	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	164.2	-172.5	40.4	0	0	0	0	110	Y272	Y272-S275 CarbonylContact C-O 3.48Å; Y272-S275 VanDerWaalsContact C-O 3.29Å; Y272-S275 WeakPolarHBondContact CA-O 3.43Å; Y272-S275 PolarHBondContact N-O 3.03Å; Y272-S275 CarbonylContact O-C 3.58Å; Y272-S275 PolarHBondContact O-N 2.98Å; Y272-S275 PolarHBondContact O-OG 3.48Å
276	S	88.2	Confident	89.5	Confident	73 Å²	73	62.7 Å²	62.7	51%	0.51	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	148.3	165.3	-57.4	0	0	0	0	110.1
277	A	90.1	Very high	90.5	Very high	5 Å²	5	58.7 Å²	58.7	4%	0.041	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	173.6	160.8	0	0	0	0	0	109.1	I256 V270 Y272	I256-A277 HydrophobicContact CG2-CB 3.56Å; V270-A277 HydrophobicContact CG2-CB 4.05Å; V270-A277 PolarHBondContact N-O 3.31Å; V270-A277 PolarHBondContact O-N 3.42Å; Y272-A277 HydrophobicContact CD2-CB 4.46Å; Y272-A277 HydrophobicContact CG-CB 4.05Å
278	Y	90.2	Very high	91.1	Very high	61 Å²	61	57.7 Å²	57.7	24%	0.239	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	154.8	-176.7	-53.6	-84.7	0	0	0	110.5	I256 I257 V267 F268 T269	I256-Y278 CarbonylContact C-O 3.26Å; I256-Y278 WeakPolarHBondContact CA-O 3.3Å; I257-Y278 WeakPolarHBondContact CG1-O 3.36Å; I257-Y278 PolarHBondContact N-O 3.16Å; I257-Y278 PolarHBondContact O-N 2.89Å; V267-Y278 HydrophobicContact CB-CD1 4.13Å; V267-Y278 HydrophobicContact CG2-CD1 3.58Å; V267-Y278 HydrophobicContact CG2-CE1 4.04Å; V267-Y278 HydrophobicContact CG2-CG 4.36Å; F268-Y278 CarbonylContact O-C 3.29Å; F268-Y278 VanDerWaalsContact O-CA 3.26Å; F268-Y278 WeakPolarHBondContact O-CA 3.3Å; T269-Y278 HydrophobicContact CG2-CD1 4.3Å; T269-Y278 HydrophobicContact CG2-CE1 3.97Å; T269-Y278 VanDerWaalsContact OG1-CE1 3.31Å; T269-Y278 WeakPolarHBondContact OG1-CE1 3.36Å
279	L	91.6	Very high	91.5	Very high	34 Å²	34	57 Å²	57	18%	0.178	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	142.9	167.6	-57.1	-176.3	0	0	0	110.4	K255 I256 F268 V270 Q281 F305	K255-L279 WeakPolarHBondContact O-CA 3.39Å; I256-L279 HydrophobicContact CG1-CD2 4.09Å; F268-L279 HydrophobicContact CB-CB 4.13Å; F268-L279 HydrophobicContact CB-CD1 3.89Å; F268-L279 HydrophobicContact CB-CG 4Å; F268-L279 HydrophobicContact CD2-CD1 4.48Å; F268-L279 HydrophobicContact CG-CD1 4.41Å; F268-L279 PolarHBondContact O-N 2.82Å; V270-L279 HydrophobicContact CG1-CD2 4.09Å; V270-L279 HydrophobicContact CG1-CG 4.12Å; L279-Q281 PolarHBondContact O-N 3.21Å; L279-F305 HydrophobicContact CB-CB 3.93Å; L279-F305 HydrophobicContact CB-CD1 4.49Å; L279-F305 HydrophobicContact CB-CD2 3.87Å; L279-F305 HydrophobicContact CB-CG 3.85Å; L279-F305 HydrophobicContact CD1-CD1 3.76Å; L279-F305 HydrophobicContact CD1-CD2 4.4Å; L279-F305 HydrophobicContact CD1-CE1 3.98Å; L279-F305 HydrophobicContact CD1-CG 3.98Å; L279-F305 HydrophobicContact CD1-CZ 4.4Å
280	A	89	Confident	91.8	Very high	2 Å²	2	54.4 Å²	54.4	2%	0.017	28%	0.28	C	S	.	.			trans	-72.6	120.5	-176.5	0	0	0	0	0	112.6	K255 I257 S282 F305	K255-A280 PolarHBondContact O-N 3.13Å; I257-A280 HydrophobicContact CD1-CB 4.07Å; I257-A280 HydrophobicContact CG2-CB 4.28Å; A280-S282 PolarHBondContact O-N 3.36Å; A280-F305 PolarHBondContact O-N 2.81Å
281	Q	86.8	Confident	92.1	Very high	19 Å²	19	52.3 Å²	52.3	9%	0.089	27%	0.267	C	S	.	.	S	Bend	trans	-68.5	-22.2	172.1	-71	166	-47.5	0	0	112.9	S261 N266 V267 L279 V304 F305	S261-Q281 PolarHBondContact OG-N 2.78Å; N266-Q281 PolarHBondContact O-NE2 2.85Å; V267-Q281 HydrophobicContact CG1-CG 3.89Å; L279-Q281 PolarHBondContact O-N 3.21Å; Q281-V304 WeakPolarHBondContact O-CG1 3.42Å; Q281-F305 WeakPolarHBondContact CA-O 3.32Å
282	S	86.9	Confident	92.3	Very high	17 Å²	17	48.3 Å²	48.3	12%	0.119	24%	0.238	C	C	.	.			trans	-164.8	149.7	177.3	-179.7	0	0	0	0	109.2	E262 A280 Q284	E262-S282 WeakPolarHBondContact OE1-CB 3.39Å; A280-S282 PolarHBondContact O-N 3.36Å; S282-Q284 PolarHBondContact O-N 2.82Å; S282-Q284 WeakPolarHBondContact OG-CB 3.38Å; S282-Q284 PolarHBondContact OG-N 2.83Å
283	P	91.9	Very high	92.7	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.013	24%	0.239	C	C	.	.	S	Bend	trans	-70.6	1.2	167.7	31.5	-35.7	0	0	0	113.5	T253 L285 Y286 K287 D323	T253-P283 HydrophobicContact CG2-CB 3.9Å; P283-L285 VanDerWaalsContact C-N 3.33Å; P283-L285 PolarHBondContact O-N 2.9Å; P283-L285 VanDerWaalsContact O-N 3.09Å; P283-Y286 PolarHBondContact O-N 3.18Å; P283-K287 HydrophobicContact CB-CG 4.23Å; P283-K287 HydrophobicContact CG-CD 4.19Å; P283-K287 HydrophobicContact CG-CG 4.41Å; P283-K287 PolarHBondContact O-N 3.34Å; P283-K287 VanDerWaalsContact O-N 3.08Å; P283-D323 VanDerWaalsContact CD-OD2 3.32Å; P283-D323 WeakPolarHBondContact CD-OD2 3.4Å; P283-D323 HydrophobicContact CG-CB 3.84Å; P283-D323 WeakPolarHBondContact CG-OD2 3.23Å
284	Q	91.6	Very high	92.9	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.028	24%	0.242	C	C	.	.	H	α-helix	trans	-45.8	-42.9	-168.7	-166.5	50.2	51.1	0	0	116	S282 Q288 E325 Y435 R464	S282-Q284 PolarHBondContact O-N 2.82Å; S282-Q284 WeakPolarHBondContact OG-CB 3.38Å; S282-Q284 PolarHBondContact OG-N 2.83Å; Q284-Q288 VanDerWaalsContact NE2-NE2 3.13Å; Q284-Q288 WeakPolarHBondContact O-CG 3.4Å; Q284-Q288 PolarHBondContact O-N 3.17Å; Q284-Q288 PolarHBondContact O-NE2 3.1Å; Q284-E325 PolarHBondContact NE2-OE2 3.02Å; Q284-E325 PolarHBondContact OE1-OE2 2.86Å; Q284-Y435 HydrophobicContact CG-CE1 4.05Å; Q284-Y435 HydrophobicContact CG-CE2 4.32Å; Q284-R464 VanDerWaalsContact NE2-CZ 3.29Å; Q284-R464 VanDerWaalsContact NE2-NE 3.17Å; Q284-R464 VanDerWaalsContact NE2-NH2 3.19Å; Q284-R464 VanDerWaalsContact OE1-NH2 3.07Å
285	L	91.8	Very high	93.1	Very high	23 Å²	23	38.8 Å²	38.8	12%	0.12	22%	0.217	C	C	.	.	H	α-helix	trans	-65.4	-47.5	178.1	-55.8	-172.4	0	0	0	111.5	P283 K287 Q288 M289 Y488	P283-L285 VanDerWaalsContact C-N 3.33Å; P283-L285 PolarHBondContact O-N 2.9Å; P283-L285 VanDerWaalsContact O-N 3.09Å; L285-K287 PolarHBondContact O-N 2.87Å; L285-Q288 PolarHBondContact O-N 3.09Å; L285-M289 VanDerWaalsContact O-CG 3.3Å; L285-M289 WeakPolarHBondContact O-CG 3.36Å; L285-M289 PolarHBondContact O-N 3.35Å; L285-Y488 HydrophobicContact CB-CD2 3.82Å; L285-Y488 HydrophobicContact CB-CE2 4.12Å; L285-Y488 HydrophobicContact CB-CG 4.49Å; L285-Y488 HydrophobicContact CD2-CD1 4.05Å; L285-Y488 HydrophobicContact CD2-CD2 3.68Å; L285-Y488 HydrophobicContact CD2-CE1 3.9Å; L285-Y488 HydrophobicContact CD2-CE2 3.49Å; L285-Y488 VanDerWaalsContact CD2-CE2 3.49Å; L285-Y488 HydrophobicContact CD2-CG 3.93Å; L285-Y488 HydrophobicContact CG-CD2 4.22Å; L285-Y488 HydrophobicContact CG-CE2 4.38Å
286	Y	94.9	Very high	93.5	Very high	71 Å²	71	39.4 Å²	39.4	28%	0.278	22%	0.215	S	C	.	.	H	α-helix	trans	-68.5	-34.4	-178.1	-67.4	-73.9	0	0	0	113.2	P254 I257 P283 M289 C290	P254-Y286 HydrophobicContact CG-CD1 4.18Å; P254-Y286 HydrophobicContact CG-CD2 4.19Å; P254-Y286 HydrophobicContact CG-CE1 3.7Å; P254-Y286 HydrophobicContact CG-CE2 3.71Å; P254-Y286 HydrophobicContact CG-CG 4.41Å; P254-Y286 VanDerWaalsContact CG-CZ 3.46Å; I257-Y286 HydrophobicContact CG2-CE2 3.68Å; P283-Y286 PolarHBondContact O-N 3.18Å; Y286-M289 HydrophobicContact CD1-SD 4.34Å; Y286-M289 PolarHBondContact O-N 3.39Å; Y286-C290 PolarHBondContact O-N 3.34Å; Y286-C290 PolarHBondContact O-SG 3.03Å; Y286-C290 VanDerWaalsContact O-SG 3.39Å
287	K	95.6	Very high	93.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.1	-50	174.3	-63.1	-172.8	-54	176.7	0	111.1	I251 P283 L285 M289 C290 I291 V298 D323 I324 E325 G502	I251-K287 HydrophobicContact CD1-CG 4.42Å; P283-K287 HydrophobicContact CB-CG 4.23Å; P283-K287 HydrophobicContact CG-CD 4.19Å; P283-K287 HydrophobicContact CG-CG 4.41Å; P283-K287 PolarHBondContact O-N 3.34Å; P283-K287 VanDerWaalsContact O-N 3.08Å; L285-K287 PolarHBondContact O-N 2.87Å; K287-M289 VanDerWaalsContact C-N 3.35Å; K287-M289 PolarHBondContact O-N 2.71Å; K287-C290 WeakPolarHBondContact O-CB 3.47Å; K287-C290 PolarHBondContact O-N 2.81Å; K287-C290 VanDerWaalsContact O-N 3.11Å; K287-I291 WeakPolarHBondContact O-CG1 3.4Å; K287-I291 PolarHBondContact O-N 2.8Å; K287-V298 HydrophobicContact CB-CG2 4.43Å; K287-D323 HydrophobicContact CD-CB 3.88Å; K287-D323 WeakPolarHBondContact CE-OD1 3.46Å; K287-D323 IonicContact NZ-OD1 3.88Å; K287-D323 PolarHBondContact NZ-OD1 2.78Å; K287-I324 PolarHBondContact NZ-O 2.77Å; K287-E325 HydrophobicContact CB-CB 3.75Å; K287-E325 HydrophobicContact CB-CG 4.13Å; K287-E325 HydrophobicContact CD-CB 4.16Å; K287-E325 WeakPolarHBondContact CE-OE2 3.25Å; K287-E325 HydrophobicContact CG-CB 4.49Å; K287-E325 IonicContact NZ-OE2 2.95Å; K287-E325 PolarHBondContact NZ-OE2 2.99Å; K287-G502 PolarHBondContact NZ-O 2.79Å
288	Q	96.3	Very high	94.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.2	-36.9	179.2	-64.6	171	93.7	0	0	111.7	Q284 L285 C290 I291 C292 E325 R464 Y488 F492 H499	Q284-Q288 VanDerWaalsContact NE2-NE2 3.13Å; Q284-Q288 WeakPolarHBondContact O-CG 3.4Å; Q284-Q288 PolarHBondContact O-N 3.17Å; Q284-Q288 PolarHBondContact O-NE2 3.1Å; L285-Q288 PolarHBondContact O-N 3.09Å; Q288-C290 VanDerWaalsContact C-N 3.28Å; Q288-C290 PolarHBondContact O-N 3.2Å; Q288-I291 WeakPolarHBondContact O-CB 3.23Å; Q288-I291 PolarHBondContact O-N 3.24Å; Q288-C292 PolarHBondContact O-N 3.41Å; Q288-C292 PolarHBondContact O-SG 2.87Å; Q288-E325 HydrophobicContact CG-CG 4.34Å; Q288-R464 HydrophobicContact CG-CG 4.17Å; Q288-R464 VanDerWaalsContact OE1-CB 3.27Å; Q288-Y488 HydrophobicContact CB-CE2 4.22Å; Q288-Y488 PolarHBondContact NE2-OH 3.37Å; Q288-Y488 PolarHBondContact OE1-OH 3.31Å; Q288-Y488 VanDerWaalsContact OE1-OH 3.07Å; Q288-F492 HydrophobicContact CB-CZ 4.16Å; Q288-H499 WeakPolarHBondContact CG-NE2 3.08Å
289	M	96.3	Very high	94.7	Very high	61 Å²	61	35.3 Å²	35.3	30%	0.3	19%	0.188	S	C	.	.	H	α-helix	trans	-63.1	-32	171.7	-68.1	175.1	78.3	0	0	112.7	L285 Y286 K287 C292 A293 Y488	L285-M289 VanDerWaalsContact O-CG 3.3Å; L285-M289 WeakPolarHBondContact O-CG 3.36Å; L285-M289 PolarHBondContact O-N 3.35Å; Y286-M289 HydrophobicContact CD1-SD 4.34Å; Y286-M289 PolarHBondContact O-N 3.39Å; K287-M289 VanDerWaalsContact C-N 3.35Å; K287-M289 PolarHBondContact O-N 2.71Å; M289-C292 PolarHBondContact O-N 3.03Å; M289-A293 WeakPolarHBondContact O-CB 3.29Å; M289-A293 PolarHBondContact O-N 3.49Å; M289-Y488 HydrophobicContact CG-CD2 4.32Å
290	C	97.6	Very high	95	Very high	31 Å²	31	33.7 Å²	33.7	21%	0.209	18%	0.18	C	C	.	.	H	α-helix	trans	-70.6	-39.6	170.5	-69.6	0	0	0	0	112.3	I251 Y286 K287 Q288 C292 A293 F295 V298	I251-C290 HydrophobicContact CD1-CB 4.15Å; Y286-C290 PolarHBondContact O-N 3.34Å; Y286-C290 PolarHBondContact O-SG 3.03Å; Y286-C290 VanDerWaalsContact O-SG 3.39Å; K287-C290 WeakPolarHBondContact O-CB 3.47Å; K287-C290 PolarHBondContact O-N 2.81Å; K287-C290 VanDerWaalsContact O-N 3.11Å; Q288-C290 VanDerWaalsContact C-N 3.28Å; Q288-C290 PolarHBondContact O-N 3.2Å; C290-C292 VanDerWaalsContact C-N 3.27Å; C290-C292 PolarHBondContact O-N 2.96Å; C290-A293 CarbonylContact O-C 3.56Å; C290-A293 WeakPolarHBondContact O-CA 3.5Å; C290-A293 PolarHBondContact O-N 3.29Å; C290-F295 HydrophobicContact CB-CB 4.35Å; C290-F295 HydrophobicContact CB-CD2 4.23Å; C290-F295 WeakPolarHBondContact O-CB 3.41Å; C290-F295 PolarHBondContact O-N 2.82Å; C290-V298 HydrophobicContact CB-CG1 4.13Å
291	I	98	Very high	95.4	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-58.9	-41.1	171.4	-56.6	-53.3	0	0	0	110.9	K287 Q288 A293 D294 F295 V298 E325 A327 P497 H499	K287-I291 WeakPolarHBondContact O-CG1 3.4Å; K287-I291 PolarHBondContact O-N 2.8Å; Q288-I291 WeakPolarHBondContact O-CB 3.23Å; Q288-I291 PolarHBondContact O-N 3.24Å; I291-A293 PolarHBondContact O-N 2.85Å; I291-A293 VanDerWaalsContact O-N 3.16Å; I291-D294 PolarHBondContact O-N 2.98Å; I291-F295 WeakPolarHBondContact CD1-O 3.33Å; I291-V298 HydrophobicContact CD1-CG2 3.93Å; I291-E325 HydrophobicContact CD1-CB 4.3Å; I291-E325 HydrophobicContact CD1-CG 4.35Å; I291-E325 HydrophobicContact CG1-CB 4.29Å; I291-E325 HydrophobicContact CG1-CG 3.88Å; I291-A327 HydrophobicContact CG2-CB 4.16Å; I291-P497 HydrophobicContact CG2-CG 3.69Å; I291-H499 HydrophobicContact CG1-CB 4.44Å; I291-H499 HydrophobicContact CG2-CB 3.8Å
292	C	97.3	Very high	95.9	Very high	30 Å²	30	34.1 Å²	34.1	20%	0.203	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	3.5	174.8	-57.3	0	0	0	0	113.9	Q288 M289 C290 A496	Q288-C292 PolarHBondContact O-N 3.41Å; Q288-C292 PolarHBondContact O-SG 2.87Å; M289-C292 PolarHBondContact O-N 3.03Å; C290-C292 VanDerWaalsContact C-N 3.27Å; C290-C292 PolarHBondContact O-N 2.96Å; C292-A496 VanDerWaalsContact SG-CB 3.59Å
293	A	97.7	Very high	96.3	Very high	55 Å²	55	35.5 Å²	35.5	46%	0.455	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	38.9	177.1	0	0	0	0	0	110.7	M289 C290 I291 F295	M289-A293 WeakPolarHBondContact O-CB 3.29Å; M289-A293 PolarHBondContact O-N 3.49Å; C290-A293 CarbonylContact O-C 3.56Å; C290-A293 WeakPolarHBondContact O-CA 3.5Å; C290-A293 PolarHBondContact O-N 3.29Å; I291-A293 PolarHBondContact O-N 2.85Å; I291-A293 VanDerWaalsContact O-N 3.16Å; A293-F295 HydrophobicContact CB-CD2 4.37Å; A293-F295 VanDerWaalsContact O-CD2 3.27Å; A293-F295 WeakPolarHBondContact O-CD2 3.32Å; A293-F295 PolarHBondContact O-N 2.92Å; A293-F295 VanDerWaalsContact O-N 3.09Å
294	D	97.3	Very high	96.4	Very high	160 Å²	160	35.7 Å²	35.7	86%	0.856	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	9.6	176.8	-57.8	-24.3	0	0	0	116.8	I291 D296	I291-D294 PolarHBondContact O-N 2.98Å; D294-D296 VanDerWaalsContact C-N 3.33Å; D294-D296 PolarHBondContact O-N 3.05Å
295	F	97.4	Very high	96.5	Very high	94 Å²	94	36.6 Å²	36.6	41%	0.412	20%	0.199	S	C	.	.			trans	-80.1	80.6	169.3	-64.5	-87.7	0	0	0	110.7	V249 C290 I291 A293 K297 V298	V249-F295 HydrophobicContact CG1-CD1 4.46Å; V249-F295 HydrophobicContact CG2-CD1 4.45Å; C290-F295 HydrophobicContact CB-CB 4.35Å; C290-F295 HydrophobicContact CB-CD2 4.23Å; C290-F295 WeakPolarHBondContact O-CB 3.41Å; C290-F295 PolarHBondContact O-N 2.82Å; I291-F295 WeakPolarHBondContact CD1-O 3.33Å; A293-F295 HydrophobicContact CB-CD2 4.37Å; A293-F295 VanDerWaalsContact O-CD2 3.27Å; A293-F295 WeakPolarHBondContact O-CD2 3.32Å; A293-F295 PolarHBondContact O-N 2.92Å; A293-F295 VanDerWaalsContact O-N 3.09Å; F295-K297 PolarHBondContact O-N 3.33Å; F295-V298 HydrophobicContact CB-CG1 3.5Å; F295-V298 HydrophobicContact CG-CG1 4.3Å
296	D	96.3	Very high	96.3	Very high	82 Å²	82	39.4 Å²	39.4	44%	0.439	21%	0.209	S	C	.	.	S	Bend	trans	-39.2	-40.6	178.4	175.8	54.2	0	0	0	114.9	D294 A327	D294-D296 VanDerWaalsContact C-N 3.33Å; D294-D296 PolarHBondContact O-N 3.05Å; D296-A327 PolarHBondContact O-N 2.93Å
297	K	98.1	Very high	95.8	Very high	51 Å²	51	37.3 Å²	37.3	22%	0.222	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	118.5	-175.6	-70.7	-179.5	-175.4	80.9	0	111.3	F248 V249 F295 M326	F248-K297 WeakPolarHBondContact CA-O 3.42Å; F248-K297 HydrophobicContact CB-CB 4.16Å; F248-K297 HydrophobicContact CD1-CB 3.61Å; F248-K297 HydrophobicContact CD1-CG 4.4Å; F248-K297 HydrophobicContact CD2-CB 4.03Å; F248-K297 HydrophobicContact CD2-CD 3.92Å; F248-K297 HydrophobicContact CD2-CG 4.41Å; F248-K297 HydrophobicContact CE1-CB 3.9Å; F248-K297 HydrophobicContact CE1-CG 4.22Å; F248-K297 HydrophobicContact CE2-CB 4.33Å; F248-K297 HydrophobicContact CE2-CD 3.76Å; F248-K297 HydrophobicContact CE2-CG 4.28Å; F248-K297 HydrophobicContact CG-CB 3.66Å; F248-K297 HydrophobicContact CG-CD 4.43Å; F248-K297 HydrophobicContact CG-CG 4.47Å; F248-K297 HydrophobicContact CZ-CB 4.26Å; F248-K297 HydrophobicContact CZ-CD 4.11Å; F248-K297 HydrophobicContact CZ-CG 4.17Å; V249-K297 PolarHBondContact N-O 2.93Å; F295-K297 PolarHBondContact O-N 3.33Å; K297-M326 HydrophobicContact CD-SD 4.17Å; K297-M326 HydrophobicContact CG-CB 4.34Å; K297-M326 HydrophobicContact CG-CG 3.94Å; K297-M326 HydrophobicContact CG-SD 4.13Å
298	V	98.4	Very high	95.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148.3	-179.3	-61.9	0	0	0	0	113.3	V249 I251 K287 C290 I291 F295 E325	V249-V298 WeakPolarHBondContact O-CA 3.2Å; I251-V298 HydrophobicContact CD1-CB 3.97Å; I251-V298 HydrophobicContact CD1-CG1 4.4Å; I251-V298 HydrophobicContact CD1-CG2 4Å; I251-V298 HydrophobicContact CG1-CB 4.2Å; I251-V298 HydrophobicContact CG2-CB 4.08Å; I251-V298 HydrophobicContact CG2-CG1 3.82Å; K287-V298 HydrophobicContact CB-CG2 4.43Å; C290-V298 HydrophobicContact CB-CG1 4.13Å; I291-V298 HydrophobicContact CD1-CG2 3.93Å; F295-V298 HydrophobicContact CB-CG1 3.5Å; F295-V298 HydrophobicContact CG-CG1 4.3Å; V298-E325 HydrophobicContact CG2-CB 3.92Å; V298-E325 PolarHBondContact N-O 2.95Å; V298-E325 PolarHBondContact O-N 3.32Å; V298-E325 VanDerWaalsContact O-O 3.05Å
299	F	98.4	Very high	94.5	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	156	165.6	74.4	-101.5	0	0	0	112	F239 R240 L243 F248 V249 E250 I251 V301 D323	F239-F299 HydrophobicContact CD1-CD2 4.43Å; F239-F299 HydrophobicContact CE1-CB 4.13Å; F239-F299 AromaticContact CE1-CD2 3.78Å; F239-F299 HydrophobicContact CE1-CD2 3.78Å; F239-F299 HydrophobicContact CE1-CE2 4.48Å; F239-F299 HydrophobicContact CE1-CG 4.13Å; F239-F299 HydrophobicContact CZ-CB 4.3Å; R240-F299 HydrophobicContact CB-CZ 4.24Å; R240-F299 HydrophobicContact CG-CE2 3.74Å; R240-F299 HydrophobicContact CG-CZ 3.91Å; L243-F299 HydrophobicContact CB-CD1 3.67Å; L243-F299 HydrophobicContact CB-CE1 3.93Å; L243-F299 HydrophobicContact CB-CG 4.45Å; L243-F299 HydrophobicContact CD1-CB 3.75Å; L243-F299 HydrophobicContact CD1-CD1 3.93Å; L243-F299 HydrophobicContact CD1-CG 3.88Å; L243-F299 HydrophobicContact CG-CD1 4.47Å; F248-F299 HydrophobicContact CB-CD1 3.7Å; F248-F299 HydrophobicContact CB-CE1 4.26Å; V249-F299 PolarHBondContact O-N 3.36Å; E250-F299 CarbonylContact C-O 3.58Å; E250-F299 WeakPolarHBondContact CA-O 3.23Å; E250-F299 HydrophobicContact CB-CD2 4.22Å; E250-F299 HydrophobicContact CB-CE1 4.16Å; E250-F299 HydrophobicContact CB-CE2 3.53Å; E250-F299 HydrophobicContact CB-CZ 3.51Å; E250-F299 VanDerWaalsContact CD-CE2 3.49Å; E250-F299 HydrophobicContact CG-CD2 4.03Å; E250-F299 HydrophobicContact CG-CE2 3.43Å; E250-F299 VanDerWaalsContact CG-CE2 3.43Å; E250-F299 HydrophobicContact CG-CZ 3.95Å; I251-F299 WeakPolarHBondContact CG1-O 3.44Å; I251-F299 PolarHBondContact N-O 2.83Å; F299-V301 HydrophobicContact CD2-CG2 4.31Å; F299-V301 HydrophobicContact CE2-CG2 4.46Å; F299-D323 CarbonylContact C-O 3.39Å; F299-D323 WeakPolarHBondContact CA-O 3.34Å; F299-D323 VanDerWaalsContact CB-O 3.23Å; F299-D323 WeakPolarHBondContact CB-O 3.46Å
300	C	97.2	Very high	93.8	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.1	174.3	-168.7	0	0	0	0	109.3	I251 D323	I251-C300 HydrophobicContact CG1-CB 4.22Å; I251-C300 PolarHBondContact O-SG 2.9Å; C300-D323 HydrophobicContact CB-CB 4.19Å; C300-D323 PolarHBondContact N-O 3.34Å; C300-D323 PolarHBondContact O-N 2.78Å
301	V	97.9	Very high	93.2	Very high	17 Å²	17	47.8 Å²	47.8	10%	0.103	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	113.5	170.6	174.9	0	0	0	0	107.6	F239 F299 V320 G321 L322	F239-V301 HydrophobicContact CD1-CG2 3.76Å; F239-V301 HydrophobicContact CE1-CG2 3.64Å; F299-V301 HydrophobicContact CD2-CG2 4.31Å; F299-V301 HydrophobicContact CE2-CG2 4.46Å; V301-V320 HydrophobicContact CG1-CG1 4.17Å; V301-G321 WeakPolarHBondContact CA-O 3.37Å; V301-L322 HydrophobicContact CB-CD2 4.39Å; V301-L322 HydrophobicContact CG1-CD2 3.77Å; V301-L322 HydrophobicContact CG2-CD2 3.94Å
302	G	96.1	Very high	92.6	Very high	12 Å²	12	50.4 Å²	50.4	12%	0.124	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	179.2	-175	0	0	0	0	0	114.2	G321	G302-G321 PolarHBondContact N-O 2.96Å; G302-G321 VanDerWaalsContact N-O 3.17Å; G302-G321 PolarHBondContact O-N 2.92Å
303	P	96.3	Very high	92	Very high	46 Å²	46	54 Å²	54	30%	0.299	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	147.6	-175.6	30	-35.9	0	0	0	112.2	K255 F305 F319	K255-P303 HydrophobicContact CG-CG 4.29Å; P303-F305 HydrophobicContact CB-CE2 3.92Å; P303-F305 HydrophobicContact CB-CZ 3.8Å; P303-F305 HydrophobicContact CG-CE2 4.13Å; P303-F305 HydrophobicContact CG-CZ 4.16Å; P303-F319 WeakPolarHBondContact CA-O 3.42Å
304	V	93.8	Very high	91.3	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.036	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	134	-177.8	-177.7	0	0	0	0	108.4	Q281 E318 F319	Q281-V304 WeakPolarHBondContact O-CG1 3.42Å; V304-E318 WeakPolarHBondContact O-CA 3.4Å; V304-F319 HydrophobicContact CB-CD1 4.3Å; V304-F319 HydrophobicContact CB-CD2 4.46Å; V304-F319 HydrophobicContact CB-CE1 3.88Å; V304-F319 HydrophobicContact CB-CE2 4.04Å; V304-F319 HydrophobicContact CB-CZ 3.75Å; V304-F319 HydrophobicContact CG1-CD1 4.49Å; V304-F319 HydrophobicContact CG1-CE1 3.64Å; V304-F319 HydrophobicContact CG1-CE2 4.22Å; V304-F319 HydrophobicContact CG1-CZ 3.48Å; V304-F319 VanDerWaalsContact CG1-CZ 3.48Å; V304-F319 HydrophobicContact CG2-CE2 4.46Å; V304-F319 HydrophobicContact CG2-CZ 4.49Å; V304-F319 PolarHBondContact N-O 3.41Å; V304-F319 PolarHBondContact O-N 3.17Å; V304-F319 VanDerWaalsContact O-N 3.1Å
305	F	92.9	Very high	90.9	Very high	25 Å²	25	47.3 Å²	47.3	11%	0.11	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.3	-165.5	-59.2	-86.4	0	0	0	113.2	K255 F268 L279 A280 Q281 P303 T317 E318	K255-F305 HydrophobicContact CB-CE2 4.24Å; F268-F305 HydrophobicContact CD2-CB 4.09Å; L279-F305 HydrophobicContact CB-CB 3.93Å; L279-F305 HydrophobicContact CB-CD1 4.49Å; L279-F305 HydrophobicContact CB-CD2 3.87Å; L279-F305 HydrophobicContact CB-CG 3.85Å; L279-F305 HydrophobicContact CD1-CD1 3.76Å; L279-F305 HydrophobicContact CD1-CD2 4.4Å; L279-F305 HydrophobicContact CD1-CE1 3.98Å; L279-F305 HydrophobicContact CD1-CG 3.98Å; L279-F305 HydrophobicContact CD1-CZ 4.4Å; A280-F305 PolarHBondContact O-N 2.81Å; Q281-F305 WeakPolarHBondContact CA-O 3.32Å; P303-F305 HydrophobicContact CB-CE2 3.92Å; P303-F305 HydrophobicContact CB-CZ 3.8Å; P303-F305 HydrophobicContact CG-CE2 4.13Å; P303-F305 HydrophobicContact CG-CZ 4.16Å; F305-T317 CarbonylContact C-O 3.59Å; F305-T317 WeakPolarHBondContact CA-O 3.45Å; F305-E318 HydrophobicContact CD1-CB 4.05Å; F305-E318 HydrophobicContact CD1-CG 3.94Å; F305-E318 HydrophobicContact CE1-CB 4.14Å; F305-E318 HydrophobicContact CE1-CG 3.6Å; F305-E318 HydrophobicContact CZ-CG 4.35Å
306	R	88	Confident	90.6	Very high	83 Å²	83	43.5 Å²	43.5	31%	0.313	23%	0.228	S	C	.	.			trans	-111.4	116.2	176.4	-66.6	-176.1	-176	-171.2	3.3	110.2	F268 E308 T317 F319	F268-R306 WeakPolarHBondContact CE2-O 3.49Å; R306-E308 PolarHBondContact O-N 3.11Å; R306-T317 PolarHBondContact N-O 2.8Å; R306-T317 VanDerWaalsContact O-CA 3.32Å; R306-T317 WeakPolarHBondContact O-CA 3.33Å; R306-F319 HydrophobicContact CG-CE1 4.2Å
307	A	84.9	Confident	90.5	Very high	27 Å²	27	40.4 Å²	40.4	22%	0.223	21%	0.212	C	C	.	.			trans	-90.4	37.6	-179.8	0	0	0	0	0	113	N266 F268	N266-A307 WeakPolarHBondContact O-CB 3.2Å; N266-A307 PolarHBondContact O-N 2.9Å; F268-A307 HydrophobicContact CD1-CB 3.87Å; F268-A307 HydrophobicContact CD2-CB 3.65Å; F268-A307 HydrophobicContact CE1-CB 3.83Å; F268-A307 HydrophobicContact CE2-CB 3.63Å; F268-A307 HydrophobicContact CG-CB 3.77Å; F268-A307 HydrophobicContact CZ-CB 3.71Å
308	E	81.2	Confident	90.3	Very high	75 Å²	75	41.8 Å²	41.8	35%	0.35	22%	0.219	S	C	.	.			trans	-87.4	136	176.7	-66.1	166.3	176	0	0	110	N266 R306 S310	N266-E308 HydrophobicContact CB-CG 4.14Å; R306-E308 PolarHBondContact O-N 3.11Å; E308-S310 PolarHBondContact O-N 3.25Å
309	D	82.5	Confident	90.2	Very high	142 Å²	142	43.2 Å²	43.2	76%	0.759	23%	0.225	S	C	*	.			trans	-77.9	48	173.9	-165.2	10.7	0	0	0	112.1	N311 P529	D309-N311 PolarHBondContact O-N 3.29Å; D309-P529 WeakPolarHBondContact OD1-CB 3.38Å; D309-P529 WeakPolarHBondContact OD1-CG 3.37Å
310	S	82.9	Confident	90.2	Very high	32 Å²	32	45.2 Å²	45.2	22%	0.224	24%	0.237	C	C	.	.			trans	-93.3	71.6	-176.1	-172.8	0	0	0	0	111	E308 T312 H315	E308-S310 PolarHBondContact O-N 3.25Å; S310-T312 PolarHBondContact O-N 3.45Å; S310-H315 WeakPolarHBondContact O-CB 3.35Å; S310-H315 PolarHBondContact OG-ND1 3.47Å
311	N	83.9	Confident	90.1	Very high	63 Å²	63	45.2 Å²	45.2	34%	0.337	24%	0.238	S	C	.	.			trans	-75.3	69.9	177.3	-175.7	69.1	0	0	0	112.6	D309 R520 K530	D309-N311 PolarHBondContact O-N 3.29Å; N311-R520 PolarHBondContact OD1-NH2 2.93Å; N311-K530 PolarHBondContact ND2-NZ 3.27Å
312	T	86.3	Confident	90.1	Very high	57 Å²	57	44.5 Å²	44.5	35%	0.35	23%	0.234	S	C	.	.	S	Bend	trans	-118.7	178.1	179.2	63.2	0	0	0	0	111.6	S310 R314 H315 R520	S310-T312 PolarHBondContact O-N 3.45Å; T312-R314 VanDerWaalsContact C-N 3.27Å; T312-R314 PolarHBondContact O-N 3.44Å; T312-H315 PolarHBondContact OG1-ND1 2.8Å; T312-R520 PolarHBondContact O-NH1 3.44Å
313	H	83.9	Confident	90.2	Very high	105 Å²	105	44.3 Å²	44.3	49%	0.486	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-4.3	178.6	58.8	-88.7	0	0	0	114.6	H517 N518 V519	H313-H517 PolarHBondContact CD2-O 3.46Å; H313-N518 HydrophobicContact CB-CB 4.22Å; H313-N518 WeakPolarHBondContact O-CA 3.45Å; H313-N518 PolarHBondContact O-OD1 3.42Å; H313-V519 WeakPolarHBondContact O-CG1 3.28Å; H313-V519 PolarHBondContact O-N 2.83Å
314	R	84.6	Confident	90.3	Very high	27 Å²	27	42.2 Å²	42.2	10%	0.102	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-3.8	-171.7	-48.9	179.7	-172.8	-164.4	22.2	114.9	T312 K407 E456 R508	T312-R314 VanDerWaalsContact C-N 3.27Å; T312-R314 PolarHBondContact O-N 3.44Å; R314-K407 VanDerWaalsContact NH2-CE 3.29Å; R314-E456 WeakPolarHBondContact CD-OE2 3.15Å; R314-E456 IonicContact CZ-OE1 3.33Å; R314-E456 IonicContact CZ-OE2 2.73Å; R314-E456 IonicContact NE-OE1 2.99Å; R314-E456 IonicContact NE-OE2 3.47Å; R314-E456 PolarHBondContact NE-OE2 2.84Å; R314-E456 VanDerWaalsContact NE-OE2 3.15Å; R314-E456 IonicContact NH1-OE1 3.17Å; R314-E456 IonicContact NH1-OE2 3.62Å; R314-E456 PolarHBondContact NH1-OE2 3.35Å; R314-R508 PolarHBondContact O-NE 2.92Å
315	H	88.8	Confident	90.5	Very high	48 Å²	48	41.9 Å²	41.9	22%	0.222	21%	0.214	C	C	.	.			trans	-122.9	143.2	-171.6	-67.5	95.4	0	0	0	110.6	S310 T312 R508	S310-H315 WeakPolarHBondContact O-CB 3.35Å; S310-H315 PolarHBondContact OG-ND1 3.47Å; T312-H315 PolarHBondContact OG1-ND1 2.8Å; H315-R508 PolarHBondContact NE2-NH2 3.16Å
316	L	91.2	Very high	90.8	Very high	14 Å²	14	41.5 Å²	41.5	7%	0.073	21%	0.213	C	C	.	.			trans	-136.2	151.1	175.6	-64.9	173.6	0	0	0	107.3	E318 F319 E507 V519 R520 P526 R527	L316-E318 WeakPolarHBondContact CB-O 3.37Å; L316-F319 HydrophobicContact CB-CB 4.36Å; L316-F319 HydrophobicContact CD1-CB 4.2Å; L316-E507 HydrophobicContact CD1-CG 4.4Å; L316-V519 HydrophobicContact CD1-CG1 4.12Å; L316-V519 HydrophobicContact CD1-CG2 3.93Å; L316-V519 HydrophobicContact CD2-CG1 3.93Å; L316-V519 HydrophobicContact CG-CG1 3.7Å; L316-V519 HydrophobicContact CG-CG2 4.35Å; L316-R520 HydrophobicContact CD2-CG 4.08Å; L316-P526 HydrophobicContact CD2-CB 3.97Å; L316-R527 CarbonylContact C-O 3.56Å; L316-R527 WeakPolarHBondContact CA-O 3.35Å; L316-R527 WeakPolarHBondContact CB-O 3.41Å; L316-R527 WeakPolarHBondContact CD2-O 3.41Å
317	T	93.1	Very high	91.3	Very high	17 Å²	17	38 Å²	38	10%	0.104	20%	0.202	C	C	.	.	S	Bend	trans	-83.6	-23	176.4	47.8	0	0	0	0	112.7	F268 F305 R306 R527 D528 P529	F268-T317 HydrophobicContact CZ-CG2 4.08Å; F305-T317 CarbonylContact C-O 3.59Å; F305-T317 WeakPolarHBondContact CA-O 3.45Å; R306-T317 PolarHBondContact N-O 2.8Å; R306-T317 VanDerWaalsContact O-CA 3.32Å; R306-T317 WeakPolarHBondContact O-CA 3.33Å; T317-R527 PolarHBondContact N-O 3.17Å; T317-R527 PolarHBondContact OG1-O 3.16Å; T317-D528 WeakPolarHBondContact OG1-CA 3.31Å; T317-D528 PolarHBondContact OG1-N 3.39Å; T317-P529 HydrophobicContact CG2-CG 4.02Å
318	E	95	Very high	91.9	Very high	79 Å²	79	37.4 Å²	37.4	37%	0.369	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.6	168.7	179.9	-178.4	177.1	0	0	108.6	V304 F305 L316 R527	V304-E318 WeakPolarHBondContact O-CA 3.4Å; F305-E318 HydrophobicContact CD1-CB 4.05Å; F305-E318 HydrophobicContact CD1-CG 3.94Å; F305-E318 HydrophobicContact CE1-CB 4.14Å; F305-E318 HydrophobicContact CE1-CG 3.6Å; F305-E318 HydrophobicContact CZ-CG 4.35Å; L316-E318 WeakPolarHBondContact CB-O 3.37Å; E318-R527 HydrophobicContact CB-CB 3.91Å; E318-R527 HydrophobicContact CB-CG 4.1Å
319	F	95.4	Very high	92.7	Very high	30 Å²	30	39.3 Å²	39.3	13%	0.132	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	170.7	176.9	72.3	-86	0	0	0	110.6	P303 V304 R306 L316 E507	P303-F319 WeakPolarHBondContact CA-O 3.42Å; V304-F319 HydrophobicContact CB-CD1 4.3Å; V304-F319 HydrophobicContact CB-CD2 4.46Å; V304-F319 HydrophobicContact CB-CE1 3.88Å; V304-F319 HydrophobicContact CB-CE2 4.04Å; V304-F319 HydrophobicContact CB-CZ 3.75Å; V304-F319 HydrophobicContact CG1-CD1 4.49Å; V304-F319 HydrophobicContact CG1-CE1 3.64Å; V304-F319 HydrophobicContact CG1-CE2 4.22Å; V304-F319 HydrophobicContact CG1-CZ 3.48Å; V304-F319 VanDerWaalsContact CG1-CZ 3.48Å; V304-F319 HydrophobicContact CG2-CE2 4.46Å; V304-F319 HydrophobicContact CG2-CZ 4.49Å; V304-F319 PolarHBondContact N-O 3.41Å; V304-F319 PolarHBondContact O-N 3.17Å; V304-F319 VanDerWaalsContact O-N 3.1Å; R306-F319 HydrophobicContact CG-CE1 4.2Å; L316-F319 HydrophobicContact CB-CB 4.36Å; L316-F319 HydrophobicContact CD1-CB 4.2Å; F319-E507 WeakPolarHBondContact CA-OE1 3.29Å
320	V	97.6	Very high	93.3	Very high	43 Å²	43	42.9 Å²	42.9	26%	0.261	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.7	178.8	-177.9	0	0	0	0	111	V301 L322 L506 E507	V301-V320 HydrophobicContact CG1-CG1 4.17Å; V320-L322 HydrophobicContact CG1-CD2 4.4Å; V320-L506 HydrophobicContact CB-CB 4.02Å; V320-L506 HydrophobicContact CB-CD2 3.76Å; V320-L506 HydrophobicContact CG1-CB 4.3Å; V320-L506 HydrophobicContact CG1-CD2 3.8Å; V320-L506 HydrophobicContact CG2-CD2 4.33Å; V320-L506 VanDerWaalsContact O-CB 3.24Å; V320-L506 WeakPolarHBondContact O-CB 3.21Å; V320-L506 PolarHBondContact O-N 3.11Å; V320-E507 PolarHBondContact N-OE1 2.99Å; V320-E507 VanDerWaalsContact N-OE1 3.12Å; V320-E507 PolarHBondContact N-OE2 3.47Å
321	G	96.8	Very high	94.1	Very high	2 Å²	2	45 Å²	45	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	135.4	169.9	0	0	0	0	0	111.6	V301 G302 I504	V301-G321 WeakPolarHBondContact CA-O 3.37Å; G302-G321 PolarHBondContact N-O 2.96Å; G302-G321 VanDerWaalsContact N-O 3.17Å; G302-G321 PolarHBondContact O-N 2.92Å; G321-I504 CarbonylContact C-O 3.58Å; G321-I504 WeakPolarHBondContact CA-O 3.29Å
322	L	97.7	Very high	94.7	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	103.2	160.7	-37.6	175.1	0	0	0	107	V235 F239 V301 V320 I504 L506	V235-L322 HydrophobicContact CG1-CD1 3.87Å; F239-L322 HydrophobicContact CB-CD1 4.42Å; F239-L322 HydrophobicContact CD1-CB 4.21Å; F239-L322 HydrophobicContact CD2-CB 3.93Å; F239-L322 HydrophobicContact CD2-CD1 4.09Å; F239-L322 HydrophobicContact CE1-CB 3.9Å; F239-L322 HydrophobicContact CE2-CB 3.58Å; F239-L322 HydrophobicContact CG-CB 4.23Å; F239-L322 HydrophobicContact CG-CD1 4.19Å; F239-L322 HydrophobicContact CZ-CB 3.57Å; V301-L322 HydrophobicContact CB-CD2 4.39Å; V301-L322 HydrophobicContact CG1-CD2 3.77Å; V301-L322 HydrophobicContact CG2-CD2 3.94Å; V320-L322 HydrophobicContact CG1-CD2 4.4Å; L322-I504 HydrophobicContact CB-CB 4.15Å; L322-I504 PolarHBondContact N-O 2.89Å; L322-I504 WeakPolarHBondContact O-CB 3.36Å; L322-I504 PolarHBondContact O-N 3.27Å; L322-L506 HydrophobicContact CD1-CB 4.44Å; L322-L506 HydrophobicContact CD1-CD1 3.96Å; L322-L506 HydrophobicContact CD2-CB 4.19Å; L322-L506 HydrophobicContact CD2-CD1 4.22Å; L322-L506 HydrophobicContact CG-CB 4.15Å; L322-L506 HydrophobicContact CG-CD1 4.4Å
323	D	97.8	Very high	95.3	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.2	-165.2	-103.1	-79.9	0	0	0	111.3	P283 K287 F299 C300	P283-D323 VanDerWaalsContact CD-OD2 3.32Å; P283-D323 WeakPolarHBondContact CD-OD2 3.4Å; P283-D323 HydrophobicContact CG-CB 3.84Å; P283-D323 WeakPolarHBondContact CG-OD2 3.23Å; K287-D323 HydrophobicContact CD-CB 3.88Å; K287-D323 WeakPolarHBondContact CE-OD1 3.46Å; K287-D323 IonicContact NZ-OD1 3.88Å; K287-D323 PolarHBondContact NZ-OD1 2.78Å; F299-D323 CarbonylContact C-O 3.39Å; F299-D323 WeakPolarHBondContact CA-O 3.34Å; F299-D323 VanDerWaalsContact CB-O 3.23Å; F299-D323 WeakPolarHBondContact CB-O 3.46Å; C300-D323 HydrophobicContact CB-CB 4.19Å; C300-D323 PolarHBondContact N-O 3.34Å; C300-D323 PolarHBondContact O-N 2.78Å
324	I	98.2	Very high	96	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.7	178.8	-56.7	174.8	0	0	0	109.1	F239 L243 F248 K287 I339 G501 G502	F239-I324 HydrophobicContact CE2-CD1 3.78Å; F239-I324 HydrophobicContact CE2-CG1 3.83Å; F239-I324 HydrophobicContact CZ-CD1 4.18Å; F239-I324 HydrophobicContact CZ-CG1 3.72Å; L243-I324 HydrophobicContact CD1-CD1 3.94Å; L243-I324 HydrophobicContact CD1-CG1 3.88Å; L243-I324 HydrophobicContact CD2-CD1 4.11Å; F248-I324 HydrophobicContact CD1-CG2 4.36Å; F248-I324 HydrophobicContact CE1-CG2 3.58Å; F248-I324 HydrophobicContact CZ-CG2 4.22Å; K287-I324 PolarHBondContact NZ-O 2.77Å; I324-I339 HydrophobicContact CB-CD1 4.47Å; I324-I339 HydrophobicContact CD1-CG1 3.93Å; I324-I339 HydrophobicContact CG2-CD1 4.42Å; I324-I339 HydrophobicContact CG2-CG1 4.28Å; I324-G501 WeakPolarHBondContact O-CA 3.49Å; I324-G502 PolarHBondContact N-O 3.32Å; I324-G502 PolarHBondContact O-N 2.74Å; I324-G502 VanDerWaalsContact O-N 3.13Å
325	E	98.4	Very high	96.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	141.7	162	-153.3	78.5	-146.5	0	0	109.1	Q284 K287 Q288 I291 V298 R464 H499 G500 G501	Q284-E325 PolarHBondContact NE2-OE2 3.02Å; Q284-E325 PolarHBondContact OE1-OE2 2.86Å; K287-E325 HydrophobicContact CB-CB 3.75Å; K287-E325 HydrophobicContact CB-CG 4.13Å; K287-E325 HydrophobicContact CD-CB 4.16Å; K287-E325 WeakPolarHBondContact CE-OE2 3.25Å; K287-E325 HydrophobicContact CG-CB 4.49Å; K287-E325 IonicContact NZ-OE2 2.95Å; K287-E325 PolarHBondContact NZ-OE2 2.99Å; Q288-E325 HydrophobicContact CG-CG 4.34Å; I291-E325 HydrophobicContact CD1-CB 4.3Å; I291-E325 HydrophobicContact CD1-CG 4.35Å; I291-E325 HydrophobicContact CG1-CB 4.29Å; I291-E325 HydrophobicContact CG1-CG 3.88Å; V298-E325 HydrophobicContact CG2-CB 3.92Å; V298-E325 PolarHBondContact N-O 2.95Å; V298-E325 PolarHBondContact O-N 3.32Å; V298-E325 VanDerWaalsContact O-O 3.05Å; E325-R464 VanDerWaalsContact OE1-CG 3.26Å; E325-R464 WeakPolarHBondContact OE1-CG 3.41Å; E325-R464 IonicContact OE1-CZ 2.69Å; E325-R464 IonicContact OE1-NE 2.72Å; E325-R464 PolarHBondContact OE1-NE 2.95Å; E325-R464 IonicContact OE1-NH2 3.4Å; E325-R464 PolarHBondContact OE1-NH2 2.85Å; E325-R464 IonicContact OE2-CZ 3.1Å; E325-R464 IonicContact OE2-NE 2.71Å; E325-R464 IonicContact OE2-NH2 3.28Å; E325-R464 PolarHBondContact OE2-NH2 2.85Å; E325-H499 IonicContact OE1-CD2 3.15Å; E325-G500 WeakPolarHBondContact CA-O 3.48Å; E325-G500 WeakPolarHBondContact OE1-CA 3.37Å; E325-G501 PolarHBondContact OE1-N 3.19Å; E325-G501 VanDerWaalsContact OE1-N 3.17Å
326	M	98.2	Very high	97.1	Very high	16 Å²	16	35.3 Å²	35.3	8%	0.079	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	134.6	-172.3	163.1	168.7	164.9	0	0	110.8	F248 K297 V335 H499 G500	F248-M326 HydrophobicContact CE1-CB 3.99Å; F248-M326 HydrophobicContact CE2-SD 4.43Å; F248-M326 HydrophobicContact CZ-CB 4.15Å; F248-M326 HydrophobicContact CZ-CG 4.45Å; F248-M326 HydrophobicContact CZ-SD 3.75Å; K297-M326 HydrophobicContact CD-SD 4.17Å; K297-M326 HydrophobicContact CG-CB 4.34Å; K297-M326 HydrophobicContact CG-CG 3.94Å; K297-M326 HydrophobicContact CG-SD 4.13Å; M326-V335 HydrophobicContact CB-CG2 4.5Å; M326-V335 HydrophobicContact CG-CG2 4.41Å; M326-H499 VanDerWaalsContact O-CA 3.3Å; M326-H499 WeakPolarHBondContact O-CA 3.34Å; M326-H499 VanDerWaalsContact O-CB 3.31Å; M326-H499 WeakPolarHBondContact O-CB 3.28Å; M326-G500 PolarHBondContact N-O 2.9Å; M326-G500 PolarHBondContact O-N 2.95Å
327	A	98.4	Very high	97.4	Very high	10 Å²	10	38.4 Å²	38.4	8%	0.083	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	147.1	164.7	0	0	0	0	0	110.8	I291 D296 P497 P498 H499	I291-A327 HydrophobicContact CG2-CB 4.16Å; D296-A327 PolarHBondContact O-N 2.93Å; A327-P497 HydrophobicContact CB-CB 4.4Å; A327-P497 HydrophobicContact CB-CG 4.19Å; A327-P498 WeakPolarHBondContact CA-O 3.25Å; A327-H499 HydrophobicContact CB-CB 4.44Å
328	F	98.3	Very high	97.6	Very high	14 Å²	14	38.5 Å²	38.5	6%	0.061	19%	0.185	C	C	.	.			trans	-135	166.9	-179.4	66.6	-100.7	0	0	0	111.2	H331 E334 V335 Q463 P498 H499	F328-H331 VanDerWaalsContact CD2-C 3.48Å; F328-E334 HydrophobicContact CB-CB 3.93Å; F328-E334 HydrophobicContact CB-CG 4.49Å; F328-V335 HydrophobicContact CB-CG2 4.18Å; F328-V335 HydrophobicContact CD1-CG2 3.76Å; F328-V335 HydrophobicContact CG-CG2 4.34Å; F328-Q463 HydrophobicContact CE1-CG 3.97Å; F328-Q463 HydrophobicContact CZ-CG 3.88Å; F328-P498 HydrophobicContact CE1-CB 4.4Å; F328-P498 HydrophobicContact CE2-CB 4.03Å; F328-P498 HydrophobicContact CZ-CB 3.93Å; F328-P498 PolarHBondContact N-O 2.93Å; F328-H499 VanDerWaalsContact CE1-C 3.5Å
329	N	97.5	Very high	97.7	Very high	116 Å²	116	34.8 Å²	34.8	62%	0.62	17%	0.168	S	C	*	.	S	Bend	trans	-87.3	-51	-170.3	-59.4	-89	0	0	0	112.4	E334	N329-E334 WeakPolarHBondContact CB-OE2 3.24Å; N329-E334 PolarHBondContact N-OE1 3.1Å; N329-E334 PolarHBondContact N-OE2 2.79Å; N329-E334 PolarHBondContact ND2-OE2 3.45Å
330	Y	96.6	Very high	97.8	Very high	216 Å²	216	34 Å²	34	85%	0.847	17%	0.165	S	C	*	.	S	Bend	trans	-138.7	-34	-170.9	-58.3	-67.9	0	0	0	114.2	E334	Y330-E334 PolarHBondContact N-OE1 3.22Å
331	H	98.2	Very high	97.8	Very high	78 Å²	78	34.7 Å²	34.7	36%	0.361	17%	0.168	S	C	.	.			trans	-141.7	137.7	-176.9	-157.6	-114	0	0	0	113.1	F328 H333 E334	F328-H331 VanDerWaalsContact CD2-C 3.48Å; H331-H333 AromaticContact CE1-CD2 3.59Å; H331-H333 AromaticContact CE1-CE1 3.66Å; H331-H333 AromaticContact CE1-CG 3.54Å; H331-H333 AromaticContact CE1-ND1 3.57Å; H331-H333 AromaticContact CE1-NE2 3.68Å; H331-H333 WeakPolarHBondContact ND1-CB 3.46Å; H331-H333 AromaticContact ND1-CD2 3.66Å; H331-H333 AromaticContact ND1-CG 3.22Å; H331-H333 AromaticContact ND1-ND1 3.47Å; H331-H333 PolarHBondContact ND1-ND1 3.04Å; H331-H333 PolarHBondContact O-N 2.94Å; H331-E334 PolarHBondContact N-OE1 3.22Å; H331-E334 VanDerWaalsContact O-CB 3.28Å; H331-E334 WeakPolarHBondContact O-CB 3.47Å; H331-E334 VanDerWaalsContact O-CG 3.25Å; H331-E334 WeakPolarHBondContact O-CG 3.35Å; H331-E334 PolarHBondContact O-N 2.84Å
332	Y	98	Very high	97.8	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.2	-178.7	75.5	-77.9	0	0	0	114.3	E334 V335 I336 D425 K426 N447 Y449 Q463	Y332-E334 PolarHBondContact O-N 3.16Å; Y332-V335 WeakPolarHBondContact O-CA 3.45Å; Y332-V335 WeakPolarHBondContact O-CB 3.14Å; Y332-V335 PolarHBondContact O-N 2.78Å; Y332-I336 HydrophobicContact CD2-CD1 4.07Å; Y332-I336 HydrophobicContact CD2-CG1 4.33Å; Y332-I336 HydrophobicContact CE2-CD1 3.77Å; Y332-I336 PolarHBondContact O-N 2.64Å; Y332-I336 VanDerWaalsContact O-N 3.17Å; Y332-D425 WeakPolarHBondContact CE2-OD1 3.3Å; Y332-D425 PolarHBondContact OH-OD1 3.07Å; Y332-D425 PolarHBondContact OH-OD2 3.17Å; Y332-D425 VanDerWaalsContact OH-OD2 3.06Å; Y332-K426 WeakPolarHBondContact OH-CD 3.49Å; Y332-K426 WeakPolarHBondContact OH-CE 3.27Å; Y332-K426 PolarHBondContact OH-NZ 3.31Å; Y332-K426 VanDerWaalsContact OH-NZ 3.16Å; Y332-N447 HydrophobicContact CD1-CB 3.68Å; Y332-N447 HydrophobicContact CD2-CB 4.23Å; Y332-N447 HydrophobicContact CE1-CB 3.52Å; Y332-N447 VanDerWaalsContact CE1-OD1 3.3Å; Y332-N447 WeakPolarHBondContact CE1-OD1 3.28Å; Y332-N447 HydrophobicContact CE2-CB 4.06Å; Y332-N447 HydrophobicContact CG-CB 4.05Å; Y332-Y449 HydrophobicContact CD2-CD1 4.01Å; Y332-Y449 HydrophobicContact CD2-CE1 4.02Å; Y332-Y449 AromaticContact CE2-CD1 3.98Å; Y332-Y449 HydrophobicContact CE2-CD1 3.98Å; Y332-Y449 HydrophobicContact CE2-CE1 4.46Å; Y332-Q463 HydrophobicContact CG-CB 4.17Å
333	H	98.2	Very high	97.8	Very high	41 Å²	41	34.6 Å²	34.6	19%	0.19	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-28	167.3	-70.5	-178.2	0	0	0	112.5	H331 V335 I336 D337 R378 D425	H331-H333 AromaticContact CE1-CD2 3.59Å; H331-H333 AromaticContact CE1-CE1 3.66Å; H331-H333 AromaticContact CE1-CG 3.54Å; H331-H333 AromaticContact CE1-ND1 3.57Å; H331-H333 AromaticContact CE1-NE2 3.68Å; H331-H333 WeakPolarHBondContact ND1-CB 3.46Å; H331-H333 AromaticContact ND1-CD2 3.66Å; H331-H333 AromaticContact ND1-CG 3.22Å; H331-H333 AromaticContact ND1-ND1 3.47Å; H331-H333 PolarHBondContact ND1-ND1 3.04Å; H331-H333 PolarHBondContact O-N 2.94Å; H333-V335 PolarHBondContact O-N 3.08Å; H333-V335 VanDerWaalsContact O-N 3.17Å; H333-I336 PolarHBondContact O-N 3.08Å; H333-I336 VanDerWaalsContact O-N 3.11Å; H333-D337 WeakPolarHBondContact O-CB 3.28Å; H333-D337 PolarHBondContact O-N 3.1Å; H333-R378 PolarHBondContact ND1-NH2 3.13Å; H333-D425 IonicContact CD2-OD2 2.78Å; H333-D425 IonicContact CE1-OD2 2.68Å; H333-D425 IonicContact NE2-OD2 2.67Å; H333-D425 PolarHBondContact NE2-OD2 3.26Å
334	E	98.4	Very high	97.8	Very high	53 Å²	53	34.5 Å²	34.5	25%	0.248	17%	0.166	C	C	.	.	H	α-helix	trans	-54.7	-33.4	169.3	-65.7	169.5	-116.6	0	0	111.9	F328 N329 Y330 H331 Y332 S338	F328-E334 HydrophobicContact CB-CB 3.93Å; F328-E334 HydrophobicContact CB-CG 4.49Å; N329-E334 WeakPolarHBondContact CB-OE2 3.24Å; N329-E334 PolarHBondContact N-OE1 3.1Å; N329-E334 PolarHBondContact N-OE2 2.79Å; N329-E334 PolarHBondContact ND2-OE2 3.45Å; Y330-E334 PolarHBondContact N-OE1 3.22Å; H331-E334 PolarHBondContact N-OE1 3.22Å; H331-E334 VanDerWaalsContact O-CB 3.28Å; H331-E334 WeakPolarHBondContact O-CB 3.47Å; H331-E334 VanDerWaalsContact O-CG 3.25Å; H331-E334 WeakPolarHBondContact O-CG 3.35Å; H331-E334 PolarHBondContact O-N 2.84Å; Y332-E334 PolarHBondContact O-N 3.16Å; E334-S338 VanDerWaalsContact O-CB 3.28Å; E334-S338 WeakPolarHBondContact O-CB 3.4Å; E334-S338 PolarHBondContact O-N 3.11Å
335	V	97.8	Very high	97.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-80.5	-43.9	175.3	-172.9	0	0	0	0	111.2	M326 F328 Y332 H333 D337 S338 I339	M326-V335 HydrophobicContact CB-CG2 4.5Å; M326-V335 HydrophobicContact CG-CG2 4.41Å; F328-V335 HydrophobicContact CB-CG2 4.18Å; F328-V335 HydrophobicContact CD1-CG2 3.76Å; F328-V335 HydrophobicContact CG-CG2 4.34Å; Y332-V335 WeakPolarHBondContact O-CA 3.45Å; Y332-V335 WeakPolarHBondContact O-CB 3.14Å; Y332-V335 PolarHBondContact O-N 2.78Å; H333-V335 PolarHBondContact O-N 3.08Å; H333-V335 VanDerWaalsContact O-N 3.17Å; V335-D337 VanDerWaalsContact C-N 3.34Å; V335-D337 PolarHBondContact O-N 3.15Å; V335-S338 PolarHBondContact O-N 3.19Å; V335-I339 HydrophobicContact CG1-CD1 3.78Å; V335-I339 HydrophobicContact CG1-CG1 4.27Å; V335-I339 WeakPolarHBondContact O-CB 3.21Å; V335-I339 VanDerWaalsContact O-CG1 3.3Å; V335-I339 WeakPolarHBondContact O-CG1 3.29Å; V335-I339 PolarHBondContact O-N 3.01Å
336	I	97.8	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.8	-47.7	176.4	-62.4	-173.6	0	0	0	110.8	Y332 H333 S338 I339 T340 V423 Y449 M451	Y332-I336 HydrophobicContact CD2-CD1 4.07Å; Y332-I336 HydrophobicContact CD2-CG1 4.33Å; Y332-I336 HydrophobicContact CE2-CD1 3.77Å; Y332-I336 PolarHBondContact O-N 2.64Å; Y332-I336 VanDerWaalsContact O-N 3.17Å; H333-I336 PolarHBondContact O-N 3.08Å; H333-I336 VanDerWaalsContact O-N 3.11Å; I336-S338 VanDerWaalsContact C-N 3.31Å; I336-S338 PolarHBondContact O-N 3.39Å; I336-I339 PolarHBondContact O-N 3.27Å; I336-T340 HydrophobicContact CG2-CG2 4.08Å; I336-T340 WeakPolarHBondContact O-CB 3.33Å; I336-T340 WeakPolarHBondContact O-CG2 3.47Å; I336-T340 PolarHBondContact O-N 3.26Å; I336-T340 PolarHBondContact O-OG1 2.9Å; I336-V423 HydrophobicContact CG2-CG1 4.21Å; I336-V423 HydrophobicContact CG2-CG2 4.3Å; I336-Y449 HydrophobicContact CD1-CD1 3.53Å; I336-Y449 HydrophobicContact CD1-CD2 4.2Å; I336-Y449 HydrophobicContact CD1-CE1 4.07Å; I336-Y449 HydrophobicContact CD1-CG 3.61Å; I336-Y449 HydrophobicContact CG1-CD1 3.63Å; I336-Y449 HydrophobicContact CG1-CD2 3.97Å; I336-Y449 HydrophobicContact CG1-CE1 3.63Å; I336-Y449 HydrophobicContact CG1-CE2 3.98Å; I336-Y449 HydrophobicContact CG1-CG 3.8Å; I336-M451 HydrophobicContact CG2-CE 4.23Å
337	D	97.8	Very high	97.7	Very high	79 Å²	79	36.8 Å²	36.8	42%	0.422	18%	0.177	S	C	.	.	H	α-helix	trans	-67.7	-35.4	-176.9	-61.1	-11.7	0	0	0	110.2	H333 V335 T340 D341 R378	H333-D337 WeakPolarHBondContact O-CB 3.28Å; H333-D337 PolarHBondContact O-N 3.1Å; V335-D337 VanDerWaalsContact C-N 3.34Å; V335-D337 PolarHBondContact O-N 3.15Å; D337-T340 WeakPolarHBondContact CA-OG1 3.37Å; D337-T340 PolarHBondContact O-OG1 2.9Å; D337-D341 WeakPolarHBondContact O-CB 3.42Å; D337-D341 PolarHBondContact O-N 3.35Å; D337-D341 VanDerWaalsContact O-N 3.13Å; D337-R378 IonicContact OD1-CZ 3.84Å; D337-R378 IonicContact OD1-NH1 3.22Å; D337-R378 PolarHBondContact OD1-NH1 3Å
338	S	97.4	Very high	97.7	Very high	18 Å²	18	38.4 Å²	38.4	13%	0.126	18%	0.182	C	C	.	.	H	α-helix	trans	-66.5	-40.5	172.2	-172.8	0	0	0	0	113.1	K246 E334 V335 I336 T342	K246-S338 PolarHBondContact NZ-O 2.84Å; E334-S338 VanDerWaalsContact O-CB 3.28Å; E334-S338 WeakPolarHBondContact O-CB 3.4Å; E334-S338 PolarHBondContact O-N 3.11Å; V335-S338 PolarHBondContact O-N 3.19Å; I336-S338 VanDerWaalsContact C-N 3.31Å; I336-S338 PolarHBondContact O-N 3.39Å; S338-T342 PolarHBondContact O-N 3.27Å; S338-T342 PolarHBondContact O-OG1 2.98Å
339	I	97.6	Very high	97.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-73.7	-45.5	178.5	-67.3	176.8	0	0	0	111.3	I324 V335 I336 T342 M343 Y449 M451 L459	I324-I339 HydrophobicContact CB-CD1 4.47Å; I324-I339 HydrophobicContact CD1-CG1 3.93Å; I324-I339 HydrophobicContact CG2-CD1 4.42Å; I324-I339 HydrophobicContact CG2-CG1 4.28Å; V335-I339 HydrophobicContact CG1-CD1 3.78Å; V335-I339 HydrophobicContact CG1-CG1 4.27Å; V335-I339 WeakPolarHBondContact O-CB 3.21Å; V335-I339 VanDerWaalsContact O-CG1 3.3Å; V335-I339 WeakPolarHBondContact O-CG1 3.29Å; V335-I339 PolarHBondContact O-N 3.01Å; I336-I339 PolarHBondContact O-N 3.27Å; I339-T342 WeakPolarHBondContact O-CA 3.39Å; I339-T342 VanDerWaalsContact O-CB 3.32Å; I339-T342 WeakPolarHBondContact O-CB 3.24Å; I339-T342 PolarHBondContact O-N 3.31Å; I339-M343 PolarHBondContact O-N 3.37Å; I339-Y449 HydrophobicContact CD1-CE2 4.41Å; I339-M451 HydrophobicContact CB-CE 4.01Å; I339-M451 HydrophobicContact CG2-CE 3.56Å; I339-M451 HydrophobicContact CG2-SD 3.85Å; I339-L459 HydrophobicContact CD1-CD1 4.49Å; I339-L459 HydrophobicContact CG2-CD1 3.58Å
340	T	97.3	Very high	97.5	Very high	13 Å²	13	32.7 Å²	32.7	8%	0.08	15%	0.154	C	C	.	.	H	α-helix	trans	-62.5	-44.7	179.4	47.3	0	0	0	0	112	I336 D337 T342 M343 V344 T376 V423 M451	I336-T340 HydrophobicContact CG2-CG2 4.08Å; I336-T340 WeakPolarHBondContact O-CB 3.33Å; I336-T340 WeakPolarHBondContact O-CG2 3.47Å; I336-T340 PolarHBondContact O-N 3.26Å; I336-T340 PolarHBondContact O-OG1 2.9Å; D337-T340 WeakPolarHBondContact CA-OG1 3.37Å; D337-T340 PolarHBondContact O-OG1 2.9Å; T340-T342 VanDerWaalsContact C-N 3.27Å; T340-T342 PolarHBondContact O-N 2.9Å; T340-M343 PolarHBondContact O-N 3.21Å; T340-V344 WeakPolarHBondContact O-CG2 3.4Å; T340-V344 PolarHBondContact O-N 3.23Å; T340-T376 HydrophobicContact CG2-CG2 4.02Å; T340-V423 HydrophobicContact CG2-CG2 3.34Å; T340-M451 HydrophobicContact CG2-CE 3.64Å; T340-M451 HydrophobicContact CG2-SD 3.99Å
341	D	97.4	Very high	97.4	Very high	58 Å²	58	27.7 Å²	27.7	31%	0.31	13%	0.134	S	C	.	.	H	α-helix	trans	-59	-40.6	171	170.8	71.7	0	0	0	111.1	K246 D337 M343 V344 Q345	K246-D341 WeakPolarHBondContact CE-OD2 3.45Å; K246-D341 IonicContact NZ-OD2 3.96Å; K246-D341 PolarHBondContact NZ-OD2 3.11Å; D337-D341 WeakPolarHBondContact O-CB 3.42Å; D337-D341 PolarHBondContact O-N 3.35Å; D337-D341 VanDerWaalsContact O-N 3.13Å; D341-M343 VanDerWaalsContact C-N 3.31Å; D341-M343 PolarHBondContact O-N 3.49Å; D341-V344 CarbonylContact O-C 3.59Å; D341-V344 PolarHBondContact O-N 3.26Å; D341-V344 VanDerWaalsContact O-N 3.13Å; D341-Q345 VanDerWaalsContact O-CG 3.32Å; D341-Q345 WeakPolarHBondContact O-CG 3.04Å; D341-Q345 PolarHBondContact O-N 2.92Å; D341-Q345 PolarHBondContact OD1-NE2 3.36Å
342	T	97.7	Very high	97.3	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-41.9	176.6	-55.2	0	0	0	0	112	F239 T242 L243 K246 S338 I339 T340 Q345 I346	F239-T342 HydrophobicContact CD2-CG2 4.42Å; T242-T342 HydrophobicContact CG2-CG2 4.09Å; L243-T342 HydrophobicContact CD2-CG2 3.93Å; L243-T342 HydrophobicContact CG-CG2 3.99Å; K246-T342 PolarHBondContact NZ-OG1 3.22Å; S338-T342 PolarHBondContact O-N 3.27Å; S338-T342 PolarHBondContact O-OG1 2.98Å; I339-T342 WeakPolarHBondContact O-CA 3.39Å; I339-T342 VanDerWaalsContact O-CB 3.32Å; I339-T342 WeakPolarHBondContact O-CB 3.24Å; I339-T342 PolarHBondContact O-N 3.31Å; T340-T342 VanDerWaalsContact C-N 3.27Å; T340-T342 PolarHBondContact O-N 2.9Å; T342-Q345 PolarHBondContact O-N 3.31Å; T342-I346 HydrophobicContact CG2-CD1 4.36Å; T342-I346 VanDerWaalsContact O-CG1 3.3Å; T342-I346 WeakPolarHBondContact O-CG1 3.47Å; T342-I346 PolarHBondContact O-N 2.89Å; T342-I346 VanDerWaalsContact O-N 3.08Å
343	M	97.8	Very high	97.1	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-64.3	-43.1	173.8	-67.7	-55.1	-60.4	0	0	112.2	I339 T340 D341 I346 F347 F421 M453 I458 I504 V509	I339-M343 PolarHBondContact O-N 3.37Å; T340-M343 PolarHBondContact O-N 3.21Å; D341-M343 VanDerWaalsContact C-N 3.31Å; D341-M343 PolarHBondContact O-N 3.49Å; M343-I346 WeakPolarHBondContact O-CB 3.47Å; M343-I346 PolarHBondContact O-N 2.84Å; M343-I346 HydrophobicContact SD-CD1 4.29Å; M343-F347 HydrophobicContact CB-CE2 3.98Å; M343-F347 HydrophobicContact CB-CZ 4.1Å; M343-F347 HydrophobicContact CE-CE1 3.8Å; M343-F347 HydrophobicContact CE-CZ 3.57Å; M343-F347 WeakPolarHBondContact O-CD2 3.3Å; M343-F347 WeakPolarHBondContact O-CG 3.37Å; M343-F347 PolarHBondContact O-N 3.45Å; M343-F421 HydrophobicContact CB-CE1 4.03Å; M343-F421 HydrophobicContact CB-CE2 4.34Å; M343-F421 HydrophobicContact CB-CZ 3.63Å; M343-F421 HydrophobicContact CG-CE2 4.48Å; M343-F421 HydrophobicContact CG-CZ 3.97Å; M343-M453 HydrophobicContact CE-SD 4.39Å; M343-I458 HydrophobicContact CE-CD1 3.65Å; M343-I504 HydrophobicContact SD-CD1 3.81Å; M343-V509 HydrophobicContact CE-CG1 4.23Å; M343-V509 HydrophobicContact CE-CG2 4.11Å
344	V	97.6	Very high	96.9	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.024	17%	0.169	C	C	.	.	H	α-helix	trans	-61.9	-43.9	176	165.1	0	0	0	0	112	T340 D341 I346 F347 K348 F372 E374 T376	T340-V344 WeakPolarHBondContact O-CG2 3.4Å; T340-V344 PolarHBondContact O-N 3.23Å; D341-V344 CarbonylContact O-C 3.59Å; D341-V344 PolarHBondContact O-N 3.26Å; D341-V344 VanDerWaalsContact O-N 3.13Å; V344-I346 VanDerWaalsContact C-N 3.31Å; V344-I346 PolarHBondContact O-N 2.95Å; V344-F347 PolarHBondContact O-N 3.37Å; V344-K348 HydrophobicContact CG1-CD 3.59Å; V344-K348 HydrophobicContact CG1-CG 4.49Å; V344-K348 WeakPolarHBondContact O-CB 3.35Å; V344-K348 WeakPolarHBondContact O-CD 2.93Å; V344-K348 VanDerWaalsContact O-CG 3.26Å; V344-K348 WeakPolarHBondContact O-CG 3.09Å; V344-K348 PolarHBondContact O-N 3.16Å; V344-F372 HydrophobicContact CG1-CD2 4.34Å; V344-F372 HydrophobicContact CG1-CE2 4.12Å; V344-F372 HydrophobicContact CG2-CD2 4.23Å; V344-E374 HydrophobicContact CG1-CG 3.8Å; V344-T376 WeakPolarHBondContact CG2-OG1 3.25Å
345	Q	97.8	Very high	96.5	Very high	66 Å²	66	35.3 Å²	35.3	31%	0.308	18%	0.176	S	C	.	.	H	α-helix	trans	-63.6	-35.9	175.1	-60.8	-49.1	-32.6	0	0	111.9	T242 D341 T342 G349	T242-Q345 HydrophobicContact CG2-CB 3.96Å; T242-Q345 HydrophobicContact CG2-CG 3.93Å; D341-Q345 VanDerWaalsContact O-CG 3.32Å; D341-Q345 WeakPolarHBondContact O-CG 3.04Å; D341-Q345 PolarHBondContact O-N 2.92Å; D341-Q345 PolarHBondContact OD1-NE2 3.36Å; T342-Q345 PolarHBondContact O-N 3.31Å; Q345-G349 PolarHBondContact O-N 3.37Å
346	I	97.7	Very high	96	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-52.2	171	-67.7	162.6	0	0	0	110	V235 L238 F239 T342 M343 V344 K348 G349 L350	V235-I346 HydrophobicContact CG1-CG2 4.32Å; V235-I346 HydrophobicContact CG2-CG2 4.26Å; L238-I346 HydrophobicContact CB-CB 4.43Å; L238-I346 HydrophobicContact CB-CG1 3.86Å; F239-I346 HydrophobicContact CB-CD1 4.01Å; F239-I346 HydrophobicContact CD2-CD1 4.24Å; T342-I346 HydrophobicContact CG2-CD1 4.36Å; T342-I346 VanDerWaalsContact O-CG1 3.3Å; T342-I346 WeakPolarHBondContact O-CG1 3.47Å; T342-I346 PolarHBondContact O-N 2.89Å; T342-I346 VanDerWaalsContact O-N 3.08Å; M343-I346 WeakPolarHBondContact O-CB 3.47Å; M343-I346 PolarHBondContact O-N 2.84Å; M343-I346 HydrophobicContact SD-CD1 4.29Å; V344-I346 VanDerWaalsContact C-N 3.31Å; V344-I346 PolarHBondContact O-N 2.95Å; I346-K348 VanDerWaalsContact C-N 3.3Å; I346-K348 PolarHBondContact O-N 3.09Å; I346-G349 PolarHBondContact O-N 3.33Å; I346-L350 HydrophobicContact CG2-CD1 4.11Å; I346-L350 HydrophobicContact CG2-CG 4.18Å; I346-L350 WeakPolarHBondContact O-CB 3.15Å; I346-L350 VanDerWaalsContact O-CG 3.31Å; I346-L350 WeakPolarHBondContact O-CG 3.41Å; I346-L350 PolarHBondContact O-N 2.65Å
347	F	97.3	Very high	95.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-37.8	-178	-55.7	-36	0	0	0	113.2	M343 V344 R351 F370 F372 F421 M453 Y513	M343-F347 HydrophobicContact CB-CE2 3.98Å; M343-F347 HydrophobicContact CB-CZ 4.1Å; M343-F347 HydrophobicContact CE-CE1 3.8Å; M343-F347 HydrophobicContact CE-CZ 3.57Å; M343-F347 WeakPolarHBondContact O-CD2 3.3Å; M343-F347 WeakPolarHBondContact O-CG 3.37Å; M343-F347 PolarHBondContact O-N 3.45Å; V344-F347 PolarHBondContact O-N 3.37Å; F347-R351 WeakPolarHBondContact O-CB 3.47Å; F347-R351 PolarHBondContact O-N 3.45Å; F347-R351 VanDerWaalsContact O-N 3.1Å; F347-F370 HydrophobicContact CD1-CD1 4.37Å; F347-F370 HydrophobicContact CD1-CE1 4.18Å; F347-F370 HydrophobicContact CD2-CD1 4.46Å; F347-F370 AromaticContact CD2-CE1 3.91Å; F347-F370 HydrophobicContact CD2-CE1 3.91Å; F347-F370 HydrophobicContact CE1-CE1 4.02Å; F347-F370 AromaticContact CE2-CE1 3.75Å; F347-F370 HydrophobicContact CE2-CE1 3.75Å; F347-F370 HydrophobicContact CE2-CZ 4.42Å; F347-F370 HydrophobicContact CG-CD1 4.31Å; F347-F370 HydrophobicContact CG-CE1 4.14Å; F347-F370 AromaticContact CZ-CE1 3.79Å; F347-F370 HydrophobicContact CZ-CE1 3.79Å; F347-F370 HydrophobicContact CZ-CZ 4.18Å; F347-F372 HydrophobicContact CB-CD1 3.78Å; F347-F372 HydrophobicContact CB-CE1 3.54Å; F347-F372 HydrophobicContact CB-CG 4.41Å; F347-F372 HydrophobicContact CB-CZ 3.99Å; F347-F372 HydrophobicContact CD2-CB 4.18Å; F347-F372 HydrophobicContact CD2-CD1 4.01Å; F347-F372 AromaticContact CD2-CG 4Å; F347-F372 HydrophobicContact CD2-CG 4Å; F347-F372 HydrophobicContact CG-CD1 4.23Å; F347-F372 HydrophobicContact CG-CE1 4.47Å; F347-F421 HydrophobicContact CE2-CB 4.23Å; F347-F421 AromaticContact CE2-CD1 3.74Å; F347-F421 HydrophobicContact CE2-CD1 3.74Å; F347-F421 AromaticContact CE2-CD2 3.93Å; F347-F421 HydrophobicContact CE2-CD2 3.93Å; F347-F421 HydrophobicContact CE2-CE1 4Å; F347-F421 HydrophobicContact CE2-CE2 4.21Å; F347-F421 AromaticContact CE2-CG 3.71Å; F347-F421 HydrophobicContact CE2-CG 3.71Å; F347-F421 HydrophobicContact CE2-CZ 4.25Å; F347-F421 HydrophobicContact CZ-CD2 4.06Å; F347-F421 HydrophobicContact CZ-CE2 4.24Å; F347-F421 HydrophobicContact CZ-CG 4.28Å; F347-M453 HydrophobicContact CD1-CE 4.44Å; F347-M453 HydrophobicContact CE1-CE 3.48Å; F347-M453 VanDerWaalsContact CE1-CE 3.48Å; F347-M453 HydrophobicContact CE1-SD 3.95Å; F347-M453 HydrophobicContact CZ-CE 3.83Å; F347-M453 HydrophobicContact CZ-CG 4.41Å; F347-M453 HydrophobicContact CZ-SD 3.92Å; F347-Y513 HydrophobicContact CB-CE2 4.21Å; F347-Y513 AromaticContact CD1-CD2 3.8Å; F347-Y513 HydrophobicContact CD1-CD2 3.8Å; F347-Y513 AromaticContact CD1-CE2 3.89Å; F347-Y513 HydrophobicContact CD1-CE2 3.89Å; F347-Y513 HydrophobicContact CE1-CD2 4.29Å; F347-Y513 HydrophobicContact CG-CE2 4.38Å; F347-Y513 PolarHBondContact O-OH 2.97Å
348	K	97	Very high	95.3	Very high	45 Å²	45	37.8 Å²	37.8	20%	0.196	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-51.1	173.3	-67.6	160.4	83.9	154.2	0	110.8	V344 I346 L350 R351 D352 F372 E374	V344-K348 HydrophobicContact CG1-CD 3.59Å; V344-K348 HydrophobicContact CG1-CG 4.49Å; V344-K348 WeakPolarHBondContact O-CB 3.35Å; V344-K348 WeakPolarHBondContact O-CD 2.93Å; V344-K348 VanDerWaalsContact O-CG 3.26Å; V344-K348 WeakPolarHBondContact O-CG 3.09Å; V344-K348 PolarHBondContact O-N 3.16Å; I346-K348 VanDerWaalsContact C-N 3.3Å; I346-K348 PolarHBondContact O-N 3.09Å; K348-L350 VanDerWaalsContact C-N 3.28Å; K348-L350 PolarHBondContact O-N 3.06Å; K348-R351 PolarHBondContact O-N 3.25Å; K348-D352 WeakPolarHBondContact O-CB 3.15Å; K348-D352 PolarHBondContact O-N 3.24Å; K348-F372 HydrophobicContact CD-CE2 4.26Å; K348-F372 HydrophobicContact CG-CE2 3.92Å; K348-F372 HydrophobicContact CG-CZ 3.68Å; K348-E374 WeakPolarHBondContact CD-OE1 3.35Å; K348-E374 WeakPolarHBondContact CE-OE1 3.48Å; K348-E374 IonicContact NZ-OE1 3.95Å; K348-E374 PolarHBondContact NZ-OE1 3.01Å; K348-E374 IonicContact NZ-OE2 2.8Å; K348-E374 PolarHBondContact NZ-OE2 2.91Å
349	G	97	Very high	94.8	Very high	9 Å²	9	41.8 Å²	41.8	9%	0.093	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-34	178.2	0	0	0	0	0	113.9	Q345 I346 N353	Q345-G349 PolarHBondContact O-N 3.37Å; I346-G349 PolarHBondContact O-N 3.33Å; G349-N353 WeakPolarHBondContact O-CB 3.49Å; G349-N353 PolarHBondContact O-N 3.48Å; G349-N353 VanDerWaalsContact O-N 3.11Å; G349-N353 PolarHBondContact O-ND2 2.91Å
350	L	96.1	Very high	94.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.5	-52.7	172.5	-71	-174.9	0	0	0	111.9	L231 V235 L238 I346 K348 D352 F354 Y513	L231-L350 HydrophobicContact CD2-CD1 4.16Å; L231-L350 HydrophobicContact CD2-CD2 4.25Å; L231-L350 HydrophobicContact CG-CD2 3.97Å; V235-L350 HydrophobicContact CG2-CD1 3.9Å; V235-L350 HydrophobicContact CG2-CD2 4.1Å; V235-L350 HydrophobicContact CG2-CG 4.45Å; L238-L350 HydrophobicContact CD1-CD2 3.9Å; L238-L350 HydrophobicContact CD1-CG 4.09Å; I346-L350 HydrophobicContact CG2-CD1 4.11Å; I346-L350 HydrophobicContact CG2-CG 4.18Å; I346-L350 WeakPolarHBondContact O-CB 3.15Å; I346-L350 VanDerWaalsContact O-CG 3.31Å; I346-L350 WeakPolarHBondContact O-CG 3.41Å; I346-L350 PolarHBondContact O-N 2.65Å; K348-L350 VanDerWaalsContact C-N 3.28Å; K348-L350 PolarHBondContact O-N 3.06Å; L350-D352 VanDerWaalsContact C-N 3.26Å; L350-D352 PolarHBondContact O-N 2.93Å; L350-F354 HydrophobicContact CD2-CD2 4Å; L350-F354 HydrophobicContact CD2-CE2 4.47Å; L350-F354 HydrophobicContact CD2-CG 4.42Å; L350-F354 WeakPolarHBondContact O-CA 3.39Å; L350-F354 WeakPolarHBondContact O-CB 3.48Å; L350-F354 PolarHBondContact O-N 3.34Å; L350-Y513 HydrophobicContact CB-CE1 3.92Å; L350-Y513 HydrophobicContact CB-CE2 4.4Å; L350-Y513 WeakPolarHBondContact CB-OH 3.39Å; L350-Y513 HydrophobicContact CD1-CD1 3.81Å; L350-Y513 HydrophobicContact CD1-CD2 4.11Å; L350-Y513 HydrophobicContact CD1-CE1 3.68Å; L350-Y513 HydrophobicContact CD1-CE2 3.98Å; L350-Y513 HydrophobicContact CD1-CG 4.02Å; L350-Y513 HydrophobicContact CG-CE1 4.47Å
351	R	94.3	Very high	93.6	Very high	111 Å²	111	42.3 Å²	42.3	42%	0.419	21%	0.212	S	C	.	.	H	α-helix	trans	-56.1	-41.5	178.6	-178.1	-164.9	68.2	-154.5	-7.7	112	F347 K348 Y513	F347-R351 WeakPolarHBondContact O-CB 3.47Å; F347-R351 PolarHBondContact O-N 3.45Å; F347-R351 VanDerWaalsContact O-N 3.1Å; K348-R351 PolarHBondContact O-N 3.25Å; R351-Y513 PolarHBondContact N-OH 2.81Å
352	D	94.6	Very high	93.1	Very high	96 Å²	96	42.1 Å²	42.1	51%	0.513	21%	0.214	S	C	.	.	H	α-helix	trans	-87.4	-30.6	-169.9	-61.6	-19.6	0	0	0	113	K348 L350	K348-D352 WeakPolarHBondContact O-CB 3.15Å; K348-D352 PolarHBondContact O-N 3.24Å; L350-D352 VanDerWaalsContact C-N 3.26Å; L350-D352 PolarHBondContact O-N 2.93Å
353	N	94.8	Very high	92.4	Very high	117 Å²	117	49.8 Å²	49.8	63%	0.626	25%	0.248	S	C	*	.	H	α-helix	trans	-109.1	-25.1	-176.3	-55.9	-77.2	0	0	0	114.9	G349	G349-N353 WeakPolarHBondContact O-CB 3.49Å; G349-N353 PolarHBondContact O-N 3.48Å; G349-N353 VanDerWaalsContact O-N 3.11Å; G349-N353 PolarHBondContact O-ND2 2.91Å
354	F	93.9	Very high	91.5	Very high	37 Å²	37	50.2 Å²	50.2	16%	0.162	25%	0.25	C	C	.	.			trans	-111.6	22.2	-171.9	-65.7	-94.2	0	0	0	113.2	L238 L350 T356 E357 I358	L238-F354 HydrophobicContact CD1-CE2 4.48Å; L350-F354 HydrophobicContact CD2-CD2 4Å; L350-F354 HydrophobicContact CD2-CE2 4.47Å; L350-F354 HydrophobicContact CD2-CG 4.42Å; L350-F354 WeakPolarHBondContact O-CA 3.39Å; L350-F354 WeakPolarHBondContact O-CB 3.48Å; L350-F354 PolarHBondContact O-N 3.34Å; F354-T356 VanDerWaalsContact C-N 3.27Å; F354-T356 PolarHBondContact O-N 3.12Å; F354-E357 WeakPolarHBondContact O-CB 3.49Å; F354-E357 PolarHBondContact O-N 3.37Å; F354-E357 VanDerWaalsContact O-N 3.1Å; F354-I358 WeakPolarHBondContact O-CG1 3.41Å; F354-I358 PolarHBondContact O-N 3.34Å
355	Q	90.6	Very high	90.9	Very high	84 Å²	84	51.1 Å²	51.1	39%	0.393	25%	0.253	S	S	.	.	H	α-helix	trans	-63	-29.3	-174.3	-173.1	65.4	-28.9	0	0	113.6	Q359	Q355-Q359 WeakPolarHBondContact O-CB 3.36Å; Q355-Q359 VanDerWaalsContact O-CG 3.27Å; Q355-Q359 WeakPolarHBondContact O-CG 3.43Å; Q355-Q359 PolarHBondContact O-N 3.31Å
356	T	86.8	Confident	90.4	Very high	83 Å²	83	53.5 Å²	53.5	51%	0.509	28%	0.275	S	S	.	.	H	α-helix	trans	-63.8	-46.5	173.2	-56.5	0	0	0	0	111.1	F354 T360	F354-T356 VanDerWaalsContact C-N 3.27Å; F354-T356 PolarHBondContact O-N 3.12Å; T356-T360 WeakPolarHBondContact O-CB 2.83Å; T356-T360 PolarHBondContact O-N 3.28Å; T356-T360 PolarHBondContact O-OG1 2.94Å
357	E	88.9	Confident	90	Very high	18 Å²	18	55.9 Å²	55.9	8%	0.084	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-44.2	175.5	-79.7	66.5	-157	0	0	111.5	Q114 A227 R230 F354 T360 V361	Q114-E357 PolarHBondContact NE2-OE1 3.36Å; A227-E357 HydrophobicContact CB-CB 3.71Å; A227-E357 HydrophobicContact CB-CG 3.74Å; R230-E357 HydrophobicContact CB-CG 3.99Å; R230-E357 WeakPolarHBondContact CD-OE1 3.43Å; R230-E357 IonicContact CZ-OE1 3.19Å; R230-E357 IonicContact NH1-OE1 2.78Å; R230-E357 PolarHBondContact NH1-OE1 3.45Å; F354-E357 WeakPolarHBondContact O-CB 3.49Å; F354-E357 PolarHBondContact O-N 3.37Å; F354-E357 VanDerWaalsContact O-N 3.1Å; E357-T360 WeakPolarHBondContact O-CB 3.31Å; E357-T360 PolarHBondContact O-N 3.03Å; E357-T360 VanDerWaalsContact O-N 3.11Å; E357-V361 WeakPolarHBondContact O-CG2 3.29Å; E357-V361 PolarHBondContact O-N 3.1Å
358	I	91.1	Very high	89.7	Confident	31 Å²	31	61.2 Å²	61.2	16%	0.159	32%	0.316	C	S	.	.	H	α-helix	trans	-60.2	-49.1	176.5	-65.4	165.9	0	0	0	111	L231 F354 T360 V361 S362 Y513	L231-I358 HydrophobicContact CD1-CD1 4.44Å; L231-I358 HydrophobicContact CD1-CG1 3.66Å; F354-I358 WeakPolarHBondContact O-CG1 3.41Å; F354-I358 PolarHBondContact O-N 3.34Å; I358-T360 PolarHBondContact O-N 2.99Å; I358-V361 PolarHBondContact O-N 2.87Å; I358-S362 WeakPolarHBondContact O-CB 3.3Å; I358-S362 PolarHBondContact O-N 2.94Å; I358-Y513 HydrophobicContact CD1-CE1 3.9Å; I358-Y513 HydrophobicContact CG1-CE1 4.33Å
359	Q	87.4	Confident	89.5	Confident	101 Å²	101	64.5 Å²	64.5	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-27.6	175.7	-73.3	179.5	12.6	0	0	113	Q355 K363	Q355-Q359 WeakPolarHBondContact O-CB 3.36Å; Q355-Q359 VanDerWaalsContact O-CG 3.27Å; Q355-Q359 WeakPolarHBondContact O-CG 3.43Å; Q355-Q359 PolarHBondContact O-N 3.31Å; Q359-K363 WeakPolarHBondContact O-CD 3.48Å; Q359-K363 VanDerWaalsContact O-CG 3.3Å; Q359-K363 WeakPolarHBondContact O-CG 3.38Å; Q359-K363 PolarHBondContact O-N 3.36Å
360	T	84.3	Confident	89.5	Confident	25 Å²	25	65 Å²	65	15%	0.153	34%	0.342	C	S	.	.	H	α-helix	trans	-71.4	-45.3	176.3	-64.1	0	0	0	0	111	T223 A227 T356 E357 I358	T223-T360 VanDerWaalsContact C-CG2 3.49Å; T223-T360 VanDerWaalsContact CB-CG2 3.5Å; T223-T360 WeakPolarHBondContact OG1-CG2 3.31Å; A227-T360 HydrophobicContact CB-CG2 4.14Å; T356-T360 WeakPolarHBondContact O-CB 2.83Å; T356-T360 PolarHBondContact O-N 3.28Å; T356-T360 PolarHBondContact O-OG1 2.94Å; E357-T360 WeakPolarHBondContact O-CB 3.31Å; E357-T360 PolarHBondContact O-N 3.03Å; E357-T360 VanDerWaalsContact O-N 3.11Å; I358-T360 PolarHBondContact O-N 2.99Å
361	V	86.6	Confident	89.5	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.006	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-45.6	174.6	177.7	0	0	0	0	111.3	T224 A227 I228 E357 I358 K363 Q364 F365 L514 L516	T224-V361 HydrophobicContact CG2-CB 4.36Å; T224-V361 HydrophobicContact CG2-CG1 4.15Å; T224-V361 HydrophobicContact CG2-CG2 4.18Å; A227-V361 HydrophobicContact CB-CG2 3.89Å; I228-V361 HydrophobicContact CG1-CG2 3.92Å; E357-V361 WeakPolarHBondContact O-CG2 3.29Å; E357-V361 PolarHBondContact O-N 3.1Å; I358-V361 PolarHBondContact O-N 2.87Å; V361-K363 PolarHBondContact O-N 2.92Å; V361-K363 VanDerWaalsContact O-N 3.11Å; V361-Q364 PolarHBondContact O-N 3.45Å; V361-F365 HydrophobicContact CG1-CD2 4.46Å; V361-F365 PolarHBondContact O-N 2.84Å; V361-L514 HydrophobicContact CB-CD2 4.15Å; V361-L514 HydrophobicContact CG1-CB 4.35Å; V361-L514 HydrophobicContact CG1-CD1 4.27Å; V361-L514 HydrophobicContact CG1-CD2 4.08Å; V361-L514 HydrophobicContact CG1-CG 4.48Å; V361-L514 HydrophobicContact CG2-CD1 4.19Å; V361-L514 HydrophobicContact CG2-CD2 4.3Å; V361-L516 HydrophobicContact CG1-CD2 4.24Å
362	S	86.8	Confident	89.6	Confident	53 Å²	53	65.1 Å²	65.1	37%	0.371	35%	0.346	S	S	.	.	H	α-helix	trans	-57.3	-27.8	-178.1	-174.8	0	0	0	0	113.6	I358 Q364 F365 P366	I358-S362 WeakPolarHBondContact O-CB 3.3Å; I358-S362 PolarHBondContact O-N 2.94Å; S362-Q364 VanDerWaalsContact C-N 3.32Å; S362-Q364 PolarHBondContact O-N 2.78Å; S362-F365 CarbonylContact O-C 3.54Å; S362-P366 WeakPolarHBondContact O-CA 3.45Å
363	K	83.1	Confident	89.6	Confident	162 Å²	162	63.6 Å²	63.6	70%	0.704	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.9	175.2	-73.9	166	-174.4	171.3	0	114.8	Q359 V361	Q359-K363 WeakPolarHBondContact O-CD 3.48Å; Q359-K363 VanDerWaalsContact O-CG 3.3Å; Q359-K363 WeakPolarHBondContact O-CG 3.38Å; Q359-K363 PolarHBondContact O-N 3.36Å; V361-K363 PolarHBondContact O-N 2.92Å; V361-K363 VanDerWaalsContact O-N 3.11Å
364	Q	77.9	Confident	89.6	Confident	12 Å²	12	63.4 Å²	63.4	6%	0.056	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-35.8	174.2	-175.5	171.6	16	0	0	112.1	K221 T224 V361 S362	K221-Q364 PolarHBondContact O-OE1 2.61Å; T224-Q364 HydrophobicContact CG2-CB 4.38Å; T224-Q364 WeakPolarHBondContact OG1-CB 3.42Å; T224-Q364 PolarHBondContact OG1-OE1 3.4Å; V361-Q364 PolarHBondContact O-N 3.45Å; S362-Q364 VanDerWaalsContact C-N 3.32Å; S362-Q364 PolarHBondContact O-N 2.78Å
365	F	84.1	Confident	89.6	Confident	22 Å²	22	67.3 Å²	67.3	10%	0.096	36%	0.362	C	S	.	.	S	Bend	trans	-124.4	87.1	176.6	-59.2	-68.1	0	0	0	108.8	T224 V361 S362 S367 L516 Q521	T224-F365 HydrophobicContact CG2-CD2 3.75Å; T224-F365 HydrophobicContact CG2-CE2 3.72Å; V361-F365 HydrophobicContact CG1-CD2 4.46Å; V361-F365 PolarHBondContact O-N 2.84Å; S362-F365 CarbonylContact O-C 3.54Å; F365-S367 PolarHBondContact O-N 2.81Å; F365-L516 HydrophobicContact CB-CD2 3.79Å; F365-L516 HydrophobicContact CD1-CD2 4.42Å; F365-L516 HydrophobicContact CD2-CD2 3.43Å; F365-L516 VanDerWaalsContact CD2-CD2 3.43Å; F365-L516 HydrophobicContact CE2-CD2 4.12Å; F365-L516 HydrophobicContact CG-CD2 3.61Å; F365-Q521 VanDerWaalsContact CZ-NE2 3.33Å
366	P	87.5	Confident	89.9	Confident	117 Å²	117	64.5 Å²	64.5	76%	0.76	35%	0.35	S	S	*	.			trans	-60.5	125.8	179.4	-24.5	35.4	0	0	0	111.2	S362	S362-P366 WeakPolarHBondContact O-CA 3.45Å
367	S	89.4	Confident	90.5	Very high	49 Å²	49	61.8 Å²	61.8	34%	0.343	33%	0.332	S	S	.	.			trans	-147.3	150.4	177.3	-159.3	0	0	0	0	110.2	F365	F365-S367 PolarHBondContact O-N 2.81Å
368	E	91.8	Very high	90.9	Very high	113 Å²	113	65.3 Å²	65.3	53%	0.528	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-66.8	142.9	173.6	-62	-175.6	145.3	0	0	110.7	F370 K414 R454	E368-F370 PolarHBondContact O-N 3.01Å; E368-K414 IonicContact OE2-NZ 2.73Å; E368-K414 PolarHBondContact OE2-NZ 3.03Å; E368-R454 PolarHBondContact O-NH2 3.25Å
369	P	93.5	Very high	91.2	Very high	114 Å²	114	64.1 Å²	64.1	74%	0.74	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-51.8	132.2	170.7	-25.9	34.9	0	0	0	111.5	K371	P369-K371 PolarHBondContact O-N 2.88Å
370	F	95.9	Very high	91.7	Very high	19 Å²	19	63.6 Å²	63.6	8%	0.083	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-65.6	121.2	-176.3	-174.6	-93.4	0	0	0	111.5	F347 E368 F372 D420 F421 M453 R454 Y513	F347-F370 HydrophobicContact CD1-CD1 4.37Å; F347-F370 HydrophobicContact CD1-CE1 4.18Å; F347-F370 HydrophobicContact CD2-CD1 4.46Å; F347-F370 AromaticContact CD2-CE1 3.91Å; F347-F370 HydrophobicContact CD2-CE1 3.91Å; F347-F370 HydrophobicContact CE1-CE1 4.02Å; F347-F370 AromaticContact CE2-CE1 3.75Å; F347-F370 HydrophobicContact CE2-CE1 3.75Å; F347-F370 HydrophobicContact CE2-CZ 4.42Å; F347-F370 HydrophobicContact CG-CD1 4.31Å; F347-F370 HydrophobicContact CG-CE1 4.14Å; F347-F370 AromaticContact CZ-CE1 3.79Å; F347-F370 HydrophobicContact CZ-CE1 3.79Å; F347-F370 HydrophobicContact CZ-CZ 4.18Å; E368-F370 PolarHBondContact O-N 3.01Å; F370-F372 HydrophobicContact CD1-CD1 4.15Å; F370-F372 HydrophobicContact CE1-CB 4.39Å; F370-F372 HydrophobicContact CE1-CD1 4.46Å; F370-D420 HydrophobicContact CD2-CB 3.68Å; F370-D420 HydrophobicContact CE2-CB 3.41Å; F370-D420 VanDerWaalsContact CE2-CB 3.41Å; F370-D420 HydrophobicContact CG-CB 4.33Å; F370-D420 HydrophobicContact CZ-CB 3.86Å; F370-F421 HydrophobicContact CE1-CB 3.97Å; F370-F421 HydrophobicContact CZ-CB 3.84Å; F370-M453 HydrophobicContact CD2-CE 4.1Å; F370-M453 HydrophobicContact CE1-CE 3.99Å; F370-M453 HydrophobicContact CE2-CB 4.01Å; F370-M453 HydrophobicContact CE2-CE 3.48Å; F370-M453 VanDerWaalsContact CE2-CE 3.48Å; F370-M453 HydrophobicContact CE2-CG 4.19Å; F370-M453 HydrophobicContact CZ-CB 4.15Å; F370-M453 HydrophobicContact CZ-CE 3.44Å; F370-M453 VanDerWaalsContact CZ-CE 3.44Å; F370-M453 HydrophobicContact CZ-CG 3.86Å; F370-M453 HydrophobicContact CZ-SD 4.42Å; F370-R454 HydrophobicContact CD2-CG 4.27Å; F370-R454 HydrophobicContact CE2-CG 4.06Å; F370-Y513 HydrophobicContact CB-CD2 3.86Å; F370-Y513 HydrophobicContact CB-CE2 3.91Å; F370-Y513 AromaticContact CD1-CD2 3.9Å; F370-Y513 HydrophobicContact CD1-CD2 3.9Å; F370-Y513 HydrophobicContact CD1-CE2 4.06Å; F370-Y513 HydrophobicContact CD2-CD2 4.45Å; F370-Y513 AromaticContact CG-CD2 3.81Å; F370-Y513 HydrophobicContact CG-CD2 3.81Å; F370-Y513 HydrophobicContact CG-CE2 4.16Å
371	K	96.5	Very high	92.2	Very high	77 Å²	77	62.5 Å²	62.5	34%	0.335	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-94.8	140.6	-179	-59.5	-172	-176.9	-177	0	112.2	P369 D418 D420 F421	P369-K371 PolarHBondContact O-N 2.88Å; K371-D418 WeakPolarHBondContact CB-O 3.23Å; K371-D418 VanDerWaalsContact CD-O 3.26Å; K371-D418 WeakPolarHBondContact CD-O 3.09Å; K371-D418 WeakPolarHBondContact CD-OD1 3.36Å; K371-D418 IonicContact NZ-OD1 3.81Å; K371-D418 PolarHBondContact NZ-OD1 3.05Å; K371-D418 IonicContact NZ-OD2 3.15Å; K371-D418 PolarHBondContact NZ-OD2 3.02Å; K371-D420 PolarHBondContact N-OD2 2.96Å; K371-D420 WeakPolarHBondContact O-CA 3.34Å; K371-D420 WeakPolarHBondContact O-CB 3.39Å; K371-D420 PolarHBondContact O-N 3.16Å; K371-F421 PolarHBondContact O-N 2.84Å
372	F	96.7	Very high	92.6	Very high	37 Å²	37	65.2 Å²	65.2	16%	0.162	35%	0.346	C	S	.	.			trans	-149	158.3	174.9	58.1	-87.7	0	0	0	109.9	V344 F347 K348 F370 E374 F421	V344-F372 HydrophobicContact CG1-CD2 4.34Å; V344-F372 HydrophobicContact CG1-CE2 4.12Å; V344-F372 HydrophobicContact CG2-CD2 4.23Å; F347-F372 HydrophobicContact CB-CD1 3.78Å; F347-F372 HydrophobicContact CB-CE1 3.54Å; F347-F372 HydrophobicContact CB-CG 4.41Å; F347-F372 HydrophobicContact CB-CZ 3.99Å; F347-F372 HydrophobicContact CD2-CB 4.18Å; F347-F372 HydrophobicContact CD2-CD1 4.01Å; F347-F372 AromaticContact CD2-CG 4Å; F347-F372 HydrophobicContact CD2-CG 4Å; F347-F372 HydrophobicContact CG-CD1 4.23Å; F347-F372 HydrophobicContact CG-CE1 4.47Å; K348-F372 HydrophobicContact CD-CE2 4.26Å; K348-F372 HydrophobicContact CG-CE2 3.92Å; K348-F372 HydrophobicContact CG-CZ 3.68Å; F370-F372 HydrophobicContact CD1-CD1 4.15Å; F370-F372 HydrophobicContact CE1-CB 4.39Å; F370-F372 HydrophobicContact CE1-CD1 4.46Å; F372-E374 HydrophobicContact CD2-CG 4.5Å; F372-E374 HydrophobicContact CE2-CG 4.46Å; F372-F421 HydrophobicContact CB-CB 4.02Å; F372-F421 HydrophobicContact CB-CD1 4.49Å
373	L	95.2	Very high	93.1	Very high	63 Å²	63	67.2 Å²	67.2	33%	0.33	35%	0.349	S	S	.	.			trans	-110.4	150.3	-179.4	-61.7	173.9	0	0	0	111.8	P375 T376 L377 T419	L373-P375 CarbonylContact C-O 3.58Å; L373-P375 VanDerWaalsContact CB-O 3.28Å; L373-P375 WeakPolarHBondContact CB-O 3.47Å; L373-P375 CarbonylContact O-C 3.59Å; L373-P375 VanDerWaalsContact O-C 3.26Å; L373-T376 WeakPolarHBondContact O-CA 3.36Å; L373-T376 PolarHBondContact O-N 3.18Å; L373-T376 PolarHBondContact O-OG1 2.94Å; L373-L377 HydrophobicContact CD1-CB 4.42Å; L373-T419 HydrophobicContact CD1-CG2 4.3Å
374	E	94.5	Very high	93.7	Very high	113 Å²	113	59.5 Å²	59.5	53%	0.528	32%	0.316	S	S	.	.	S	Bend	trans	-125.6	106.3	172.1	-65.6	-175.1	-131.4	0	0	108.1	V344 K348 F372	V344-E374 HydrophobicContact CG1-CG 3.8Å; K348-E374 WeakPolarHBondContact CD-OE1 3.35Å; K348-E374 WeakPolarHBondContact CE-OE1 3.48Å; K348-E374 IonicContact NZ-OE1 3.95Å; K348-E374 PolarHBondContact NZ-OE1 3.01Å; K348-E374 IonicContact NZ-OE2 2.8Å; K348-E374 PolarHBondContact NZ-OE2 2.91Å; F372-E374 HydrophobicContact CD2-CG 4.5Å; F372-E374 HydrophobicContact CE2-CG 4.46Å
375	P	93.7	Very high	94.5	Very high	120 Å²	120	59 Å²	59	78%	0.779	31%	0.314	S	S	*	.	S	Bend	cis	-66.8	157.3	-1.4	31.2	-37	0	0	0	113.2	L373	L373-P375 CarbonylContact C-O 3.58Å; L373-P375 VanDerWaalsContact CB-O 3.28Å; L373-P375 WeakPolarHBondContact CB-O 3.47Å; L373-P375 CarbonylContact O-C 3.59Å; L373-P375 VanDerWaalsContact O-C 3.26Å
376	T	97.3	Very high	95	Very high	25 Å²	25	60.6 Å²	60.6	15%	0.153	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-66.1	139.8	176.6	-63.6	0	0	0	0	111.3	T340 V344 L373 R378 F421 V423	T340-T376 HydrophobicContact CG2-CG2 4.02Å; V344-T376 WeakPolarHBondContact CG2-OG1 3.25Å; L373-T376 WeakPolarHBondContact O-CA 3.36Å; L373-T376 PolarHBondContact O-N 3.18Å; L373-T376 PolarHBondContact O-OG1 2.94Å; T376-R378 PolarHBondContact O-N 3.01Å; T376-F421 HydrophobicContact CG2-CD1 3.55Å; T376-F421 HydrophobicContact CG2-CE1 3.46Å; T376-F421 VanDerWaalsContact CG2-CE1 3.46Å; T376-F421 HydrophobicContact CG2-CZ 4.37Å; T376-V423 HydrophobicContact CG2-CG2 4.13Å
377	L	97.8	Very high	95.4	Very high	26 Å²	26	55.7 Å²	55.7	14%	0.136	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	124.9	174.4	-179.7	65.6	0	0	0	110.5	L373 L379 V413 Y417 T419 Y422 V423	L373-L377 HydrophobicContact CD1-CB 4.42Å; L377-L379 HydrophobicContact CD1-CD2 4.17Å; L377-L379 HydrophobicContact CD1-CG 4.45Å; L377-L379 HydrophobicContact CD2-CD1 4.46Å; L377-L379 HydrophobicContact CD2-CG 4.46Å; L377-L379 HydrophobicContact CG-CG 4.29Å; L377-V413 HydrophobicContact CD2-CG1 3.63Å; L377-Y417 HydrophobicContact CD1-CD1 4.26Å; L377-Y417 HydrophobicContact CD1-CE1 4.24Å; L377-Y417 HydrophobicContact CD1-CG 4.44Å; L377-Y417 HydrophobicContact CD2-CD1 4.38Å; L377-Y417 HydrophobicContact CD2-CD2 3.55Å; L377-Y417 HydrophobicContact CD2-CE2 4.02Å; L377-Y417 HydrophobicContact CD2-CG 3.75Å; L377-T419 HydrophobicContact CB-CG2 4.42Å; L377-T419 HydrophobicContact CD2-CG2 3.98Å; L377-Y422 CarbonylContact O-C 3.52Å; L377-Y422 WeakPolarHBondContact O-CA 3.41Å; L377-V423 PolarHBondContact O-N 2.97Å
378	R	98.1	Very high	95.7	Very high	92 Å²	92	53.4 Å²	53.4	35%	0.347	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.6	168.3	177	166.3	63.6	-133.7	8.4	108.2	H333 D337 T376 V423 D425	H333-R378 PolarHBondContact ND1-NH2 3.13Å; D337-R378 IonicContact OD1-CZ 3.84Å; D337-R378 IonicContact OD1-NH1 3.22Å; D337-R378 PolarHBondContact OD1-NH1 3Å; T376-R378 PolarHBondContact O-N 3.01Å; R378-V423 WeakPolarHBondContact CA-O 3.3Å; R378-V423 HydrophobicContact CB-CB 4.31Å; R378-V423 HydrophobicContact CG-CB 4.35Å; R378-D425 HydrophobicContact CG-CB 4.19Å
379	L	97.6	Very high	95.9	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	153.8	172.3	-63	175.2	0	0	0	108.9	L377 E383 M387 V413 V423 L424 D425	L377-L379 HydrophobicContact CD1-CD2 4.17Å; L377-L379 HydrophobicContact CD1-CG 4.45Å; L377-L379 HydrophobicContact CD2-CD1 4.46Å; L377-L379 HydrophobicContact CD2-CG 4.46Å; L377-L379 HydrophobicContact CG-CG 4.29Å; L379-E383 WeakPolarHBondContact CA-OE2 3.07Å; L379-M387 HydrophobicContact CD1-SD 4.4Å; L379-V413 HydrophobicContact CD1-CG2 3.88Å; L379-V423 PolarHBondContact N-O 3.41Å; L379-L424 HydrophobicContact CB-CD1 3.97Å; L379-L424 WeakPolarHBondContact O-CA 3.35Å; L379-D425 PolarHBondContact O-N 2.91Å
380	E	97.1	Very high	95.9	Very high	90 Å²	90	55.5 Å²	55.5	42%	0.421	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	154	165.9	-67	-168.2	173.1	0	0	111.6	T382 E383 A384 L424 D425 K426	E380-T382 PolarHBondContact O-N 2.88Å; E380-E383 HydrophobicContact CB-CG 4.33Å; E380-E383 PolarHBondContact N-OE2 2.87Å; E380-E383 WeakPolarHBondContact O-CB 3.38Å; E380-E383 PolarHBondContact O-N 3.21Å; E380-A384 PolarHBondContact O-N 2.96Å; E380-A384 VanDerWaalsContact O-N 3.12Å; E380-L424 WeakPolarHBondContact O-CD1 3.48Å; E380-D425 CarbonylContact C-O 3.58Å; E380-K426 HydrophobicContact CB-CB 4.47Å; E380-K426 HydrophobicContact CG-CB 4.42Å; E380-K426 HydrophobicContact CG-CG 4.03Å
381	Y	95.8	Very high	95.8	Very high	1 Å²	1	56.7 Å²	56.7	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-53.3	-37.7	179.3	-161.1	-96.9	0	0	0	113.1	E383 A384 L385 M395 D399 L401 L424 D425 K426 Y427 P428 Y445	Y381-E383 PolarHBondContact O-N 3.32Å; Y381-A384 PolarHBondContact O-N 3.03Å; Y381-L385 HydrophobicContact CD1-CD1 3.72Å; Y381-L385 HydrophobicContact CD1-CG 3.98Å; Y381-L385 HydrophobicContact CE1-CD1 3.68Å; Y381-L385 HydrophobicContact CE1-CD2 4.11Å; Y381-L385 HydrophobicContact CE1-CG 3.81Å; Y381-L385 WeakPolarHBondContact O-CG 3.29Å; Y381-L385 PolarHBondContact O-N 2.84Å; Y381-M395 WeakPolarHBondContact OH-CE 3.42Å; Y381-D399 PolarHBondContact OH-O 3.17Å; Y381-L401 HydrophobicContact CE2-CD1 4.01Å; Y381-L401 HydrophobicContact CE2-CG 3.96Å; Y381-L424 HydrophobicContact CD2-CD2 3.89Å; Y381-L424 HydrophobicContact CD2-CG 4.26Å; Y381-L424 HydrophobicContact CE2-CD2 4.24Å; Y381-D425 PolarHBondContact N-O 2.97Å; Y381-K426 VanDerWaalsContact CB-O 3.32Å; Y381-K426 WeakPolarHBondContact CB-O 3.47Å; Y381-Y427 AromaticContact CD2-CD1 3.79Å; Y381-Y427 HydrophobicContact CD2-CD1 3.79Å; Y381-Y427 AromaticContact CD2-CD2 3.66Å; Y381-Y427 HydrophobicContact CD2-CD2 3.66Å; Y381-Y427 AromaticContact CD2-CE1 3.99Å; Y381-Y427 HydrophobicContact CD2-CE1 3.99Å; Y381-Y427 AromaticContact CD2-CE2 3.85Å; Y381-Y427 HydrophobicContact CD2-CE2 3.85Å; Y381-Y427 AromaticContact CD2-CG 3.65Å; Y381-Y427 HydrophobicContact CD2-CG 3.65Å; Y381-Y427 AromaticContact CE2-CD1 3.58Å; Y381-Y427 HydrophobicContact CE2-CD1 3.58Å; Y381-Y427 HydrophobicContact CE2-CD2 4.25Å; Y381-Y427 AromaticContact CE2-CE1 3.56Å; Y381-Y427 HydrophobicContact CE2-CE1 3.56Å; Y381-Y427 HydrophobicContact CE2-CE2 4.22Å; Y381-Y427 AromaticContact CE2-CG 3.96Å; Y381-Y427 HydrophobicContact CE2-CG 3.96Å; Y381-Y427 AromaticContact CE2-CZ 3.9Å; Y381-P428 HydrophobicContact CD1-CG 3.96Å; Y381-P428 HydrophobicContact CE1-CG 3.72Å; Y381-Y445 HydrophobicContact CD1-CE1 4.42Å
382	T	94.8	Very high	95.6	Very high	59 Å²	59	56.1 Å²	56.1	36%	0.362	31%	0.307	S	S	.	.	H	α-helix	trans	-61.8	-37.7	174.6	48.8	0	0	0	0	113.2	E380 A386 Y445	E380-T382 PolarHBondContact O-N 2.88Å; T382-A386 WeakPolarHBondContact O-CB 3.39Å; T382-A386 PolarHBondContact O-N 2.72Å; T382-Y445 HydrophobicContact CG2-CE2 4.29Å
383	E	96.3	Very high	95.5	Very high	94 Å²	94	55.8 Å²	55.8	44%	0.439	31%	0.308	S	S	.	.	H	α-helix	trans	-72.4	-40	176.6	-58.5	-177.8	114.1	0	0	111.4	L379 E380 Y381 A386 M387	L379-E383 WeakPolarHBondContact CA-OE2 3.07Å; E380-E383 HydrophobicContact CB-CG 4.33Å; E380-E383 PolarHBondContact N-OE2 2.87Å; E380-E383 WeakPolarHBondContact O-CB 3.38Å; E380-E383 PolarHBondContact O-N 3.21Å; Y381-E383 PolarHBondContact O-N 3.32Å; E383-A386 WeakPolarHBondContact O-CB 3.44Å; E383-A386 PolarHBondContact O-N 3.38Å; E383-M387 PolarHBondContact O-N 2.85Å
384	A	95.3	Very high	95.3	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-64.4	-42.6	174.3	0	0	0	0	0	112.2	E380 Y381 A386 M387 L388 L409 L424	E380-A384 PolarHBondContact O-N 2.96Å; E380-A384 VanDerWaalsContact O-N 3.12Å; Y381-A384 PolarHBondContact O-N 3.03Å; A384-A386 VanDerWaalsContact C-N 3.32Å; A384-A386 PolarHBondContact O-N 2.87Å; A384-M387 PolarHBondContact O-N 3.13Å; A384-L388 WeakPolarHBondContact O-CB 3.43Å; A384-L388 WeakPolarHBondContact O-CG 3.41Å; A384-L388 PolarHBondContact O-N 2.94Å; A384-L409 HydrophobicContact CB-CD1 3.76Å; A384-L409 HydrophobicContact CB-CD2 3.66Å; A384-L409 HydrophobicContact CB-CG 4.38Å; A384-L424 HydrophobicContact CB-CD1 3.54Å; A384-L424 HydrophobicContact CB-CD2 3.91Å; A384-L424 HydrophobicContact CB-CG 4.4Å
385	L	94.8	Very high	95.1	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-59.7	-41.5	171.5	-75.7	175.9	0	0	0	111.7	Y381 L388 R389 M395	Y381-L385 HydrophobicContact CD1-CD1 3.72Å; Y381-L385 HydrophobicContact CD1-CG 3.98Å; Y381-L385 HydrophobicContact CE1-CD1 3.68Å; Y381-L385 HydrophobicContact CE1-CD2 4.11Å; Y381-L385 HydrophobicContact CE1-CG 3.81Å; Y381-L385 WeakPolarHBondContact O-CG 3.29Å; Y381-L385 PolarHBondContact O-N 2.84Å; L385-L388 PolarHBondContact O-N 2.88Å; L385-R389 WeakPolarHBondContact O-CB 3.25Å; L385-R389 WeakPolarHBondContact O-CD 3.15Å; L385-R389 WeakPolarHBondContact O-CG 3.18Å; L385-R389 PolarHBondContact O-N 3.12Å; L385-M395 HydrophobicContact CD2-CB 4.3Å; L385-M395 HydrophobicContact CD2-CE 4Å; L385-M395 HydrophobicContact CD2-CG 3.85Å; L385-M395 HydrophobicContact CD2-SD 3.75Å
386	A	96.1	Very high	94.9	Very high	54 Å²	54	53.4 Å²	53.4	45%	0.446	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-45.2	176	0	0	0	0	0	111.9	T382 E383 A384 L388 R389 E390	T382-A386 WeakPolarHBondContact O-CB 3.39Å; T382-A386 PolarHBondContact O-N 2.72Å; E383-A386 WeakPolarHBondContact O-CB 3.44Å; E383-A386 PolarHBondContact O-N 3.38Å; A384-A386 VanDerWaalsContact C-N 3.32Å; A384-A386 PolarHBondContact O-N 2.87Å; A386-L388 PolarHBondContact O-N 3.16Å; A386-R389 PolarHBondContact O-N 3.06Å; A386-E390 WeakPolarHBondContact O-CB 3.41Å; A386-E390 PolarHBondContact O-N 2.65Å
387	M	95.8	Very high	94.5	Very high	15 Å²	15	56.2 Å²	56.2	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-63.4	-38.6	175.8	-73.4	178.4	54.7	0	0	112.8	L379 E383 A384 A391 L409 L412 V413 K416	L379-M387 HydrophobicContact CD1-SD 4.4Å; E383-M387 PolarHBondContact O-N 2.85Å; A384-M387 PolarHBondContact O-N 3.13Å; M387-A391 WeakPolarHBondContact O-CB 3.42Å; M387-A391 PolarHBondContact O-N 2.75Å; M387-L409 HydrophobicContact CB-CD1 4.44Å; M387-L409 HydrophobicContact CE-CD1 4.5Å; M387-L412 HydrophobicContact CB-CD1 4.41Å; M387-L412 HydrophobicContact CE-CB 3.65Å; M387-V413 HydrophobicContact CE-CG2 4.11Å; M387-K416 HydrophobicContact CE-CD 4.14Å; M387-K416 HydrophobicContact SD-CD 4.37Å
388	L	95.3	Very high	94.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-69.1	-40.1	176.2	-74.4	169	0	0	0	112.3	A384 L385 A386 A391 G392 V393 L401 N405 L408 L409	A384-L388 WeakPolarHBondContact O-CB 3.43Å; A384-L388 WeakPolarHBondContact O-CG 3.41Å; A384-L388 PolarHBondContact O-N 2.94Å; L385-L388 PolarHBondContact O-N 2.88Å; A386-L388 PolarHBondContact O-N 3.16Å; L388-A391 CarbonylContact O-C 3.57Å; L388-A391 PolarHBondContact O-N 2.85Å; L388-G392 PolarHBondContact O-N 2.96Å; L388-V393 HydrophobicContact CB-CB 4.27Å; L388-V393 HydrophobicContact CD2-CG2 4.43Å; L388-V393 WeakPolarHBondContact O-CB 3.38Å; L388-V393 PolarHBondContact O-N 3.5Å; L388-L401 HydrophobicContact CD1-CD2 3.53Å; L388-N405 HydrophobicContact CD1-CB 4.21Å; L388-N405 HydrophobicContact CD2-CB 4.35Å; L388-L408 HydrophobicContact CD2-CB 4.01Å; L388-L408 HydrophobicContact CD2-CD2 3.83Å; L388-L408 HydrophobicContact CD2-CG 3.94Å; L388-L409 HydrophobicContact CD2-CB 4.2Å; L388-L409 HydrophobicContact CG-CB 4.45Å
389	R	95.2	Very high	93.8	Very high	101 Å²	101	58.3 Å²	58.3	38%	0.381	32%	0.322	S	S	.	.	H	α-helix	trans	-66.6	-39.8	175.3	-71.9	165.7	179.8	165.8	0.9	111.8	L385 A386 A391 G392 M395 D397	L385-R389 WeakPolarHBondContact O-CB 3.25Å; L385-R389 WeakPolarHBondContact O-CD 3.15Å; L385-R389 WeakPolarHBondContact O-CG 3.18Å; L385-R389 PolarHBondContact O-N 3.12Å; A386-R389 PolarHBondContact O-N 3.06Å; R389-A391 VanDerWaalsContact C-N 3.29Å; R389-A391 PolarHBondContact O-N 3.47Å; R389-G392 PolarHBondContact O-N 3.22Å; R389-M395 PolarHBondContact NE-O 3.46Å; R389-M395 PolarHBondContact NH2-O 2.77Å; R389-D397 IonicContact CZ-OD1 2.66Å; R389-D397 VanDerWaalsContact CZ-OD1 3.24Å; R389-D397 IonicContact NH1-OD1 3.24Å; R389-D397 PolarHBondContact NH1-OD1 3.22Å; R389-D397 IonicContact NH2-OD1 3.44Å; R389-D397 PolarHBondContact NH2-OD1 2.68Å
390	E	95.2	Very high	93.5	Very high	170 Å²	170	62.6 Å²	62.6	79%	0.794	35%	0.345	S	S	*	.	H	α-helix	trans	-61.6	-36.9	171.8	-175.8	172.9	-150.8	0	0	111.8	A386 G392	A386-E390 WeakPolarHBondContact O-CB 3.41Å; A386-E390 PolarHBondContact O-N 2.65Å; E390-G392 PolarHBondContact O-N 2.94Å
391	A	93.2	Very high	93.3	Very high	45 Å²	45	58.9 Å²	58.9	37%	0.372	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	7.3	172.6	0	0	0	0	0	114.8	M387 L388 R389 L408 L412	M387-A391 WeakPolarHBondContact O-CB 3.42Å; M387-A391 PolarHBondContact O-N 2.75Å; L388-A391 CarbonylContact O-C 3.57Å; L388-A391 PolarHBondContact O-N 2.85Å; R389-A391 VanDerWaalsContact C-N 3.29Å; R389-A391 PolarHBondContact O-N 3.47Å; A391-L408 HydrophobicContact CB-CD2 4.11Å; A391-L412 HydrophobicContact CB-CD1 3.7Å; A391-L412 HydrophobicContact CB-CD2 4.17Å
392	G	93	Very high	93.1	Very high	65 Å²	65	61.6 Å²	61.6	67%	0.67	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	18.9	173.5	0	0	0	0	0	116.1	L388 R389 E390	L388-G392 PolarHBondContact O-N 2.96Å; R389-G392 PolarHBondContact O-N 3.22Å; E390-G392 PolarHBondContact O-N 2.94Å
393	V	93.4	Very high	92.8	Very high	29 Å²	29	61.9 Å²	61.9	18%	0.176	35%	0.349	C	S	.	.			trans	-92.3	119.5	173.9	-177.4	0	0	0	0	110.9	L388 M395 L408	L388-V393 HydrophobicContact CB-CB 4.27Å; L388-V393 HydrophobicContact CD2-CG2 4.43Å; L388-V393 WeakPolarHBondContact O-CB 3.38Å; L388-V393 PolarHBondContact O-N 3.5Å; V393-M395 HydrophobicContact CG1-CB 4.32Å; V393-L408 HydrophobicContact CG2-CD2 3.47Å; V393-L408 VanDerWaalsContact CG2-CD2 3.47Å
394	E	91.3	Very high	92.6	Very high	198 Å²	198	61.8 Å²	61.8	93%	0.925	36%	0.356	S	S	*	.			trans	-77	120.3	165.6	-65.6	-174.6	172.4	0	0	109.7
395	M	90.1	Very high	92.6	Very high	20 Å²	20	62.8 Å²	62.8	10%	0.099	36%	0.362	C	S	.	.			trans	-156.7	139.8	-179.2	-176.3	170.1	172.8	0	0	109.1	Y381 L385 R389 V393 D399 D400 L401	Y381-M395 WeakPolarHBondContact OH-CE 3.42Å; L385-M395 HydrophobicContact CD2-CB 4.3Å; L385-M395 HydrophobicContact CD2-CE 4Å; L385-M395 HydrophobicContact CD2-CG 3.85Å; L385-M395 HydrophobicContact CD2-SD 3.75Å; R389-M395 PolarHBondContact NE-O 3.46Å; R389-M395 PolarHBondContact NH2-O 2.77Å; V393-M395 HydrophobicContact CG1-CB 4.32Å; M395-D399 HydrophobicContact CE-CB 3.73Å; M395-D399 HydrophobicContact CG-CB 3.96Å; M395-D400 VanDerWaalsContact CE-C 3.46Å; M395-D400 WeakPolarHBondContact CE-O 3.38Å; M395-L401 HydrophobicContact CE-CD2 4.03Å; M395-L401 HydrophobicContact CE-CG 4.39Å; M395-L401 HydrophobicContact SD-CD2 4.1Å
396	G	90	Very high	92.5	Very high	28 Å²	28	63.7 Å²	63.7	29%	0.289	37%	0.366	S	S	.	.			trans	-74.8	169.6	177.5	0	0	0	0	0	113.8	E398 D399	G396-E398 VanDerWaalsContact C-N 3.3Å; G396-E398 PolarHBondContact O-N 2.77Å; G396-D399 WeakPolarHBondContact CA-OD2 3.45Å; G396-D399 PolarHBondContact N-OD2 3.37Å
397	D	88.8	Confident	92.4	Very high	84 Å²	84	64.6 Å²	64.6	45%	0.449	36%	0.36	S	S	.	.	S	Bend	trans	-77.6	-13.8	-179.3	-60.1	-43.5	0	0	0	113.8	R389	R389-D397 IonicContact CZ-OD1 2.66Å; R389-D397 VanDerWaalsContact CZ-OD1 3.24Å; R389-D397 IonicContact NH1-OD1 3.24Å; R389-D397 PolarHBondContact NH1-OD1 3.22Å; R389-D397 IonicContact NH2-OD1 3.44Å; R389-D397 PolarHBondContact NH2-OD1 2.68Å
398	E	90.5	Very high	92.5	Very high	76 Å²	76	65.5 Å²	65.5	36%	0.355	37%	0.365	S	S	.	.	S	Bend	trans	-121.1	0.5	-177.4	-71.1	172.8	-134.7	0	0	113.6	G396 K444	G396-E398 VanDerWaalsContact C-N 3.3Å; G396-E398 PolarHBondContact O-N 2.77Å; E398-K444 VanDerWaalsContact OE1-CD 3.28Å; E398-K444 WeakPolarHBondContact OE1-CD 3.34Å; E398-K444 VanDerWaalsContact OE1-CE 3.26Å; E398-K444 WeakPolarHBondContact OE1-CE 3.35Å; E398-K444 IonicContact OE1-NZ 3.76Å; E398-K444 PolarHBondContact OE1-NZ 2.76Å
399	D	90.7	Very high	92.5	Very high	86 Å²	86	65.5 Å²	65.5	46%	0.46	37%	0.365	S	S	.	.			trans	-68	160.7	177.1	-67.8	-16.7	0	0	0	111	Y381 M395 G396	Y381-D399 PolarHBondContact OH-O 3.17Å; M395-D399 HydrophobicContact CE-CB 3.73Å; M395-D399 HydrophobicContact CG-CB 3.96Å; G396-D399 WeakPolarHBondContact CA-OD2 3.45Å; G396-D399 PolarHBondContact N-OD2 3.37Å
400	D	92	Very high	92.6	Very high	97 Å²	97	61 Å²	61	52%	0.519	35%	0.35	S	S	.	.			trans	-90	151.5	173.2	-165.2	18.3	0	0	0	112.4	M395 S402 V431	M395-D400 VanDerWaalsContact CE-C 3.46Å; M395-D400 WeakPolarHBondContact CE-O 3.38Å; D400-S402 PolarHBondContact O-N 2.71Å; D400-V431 HydrophobicContact CB-CB 4.34Å; D400-V431 HydrophobicContact CB-CG1 3.89Å
401	L	91.2	Very high	92.7	Very high	12 Å²	12	59.8 Å²	59.8	6%	0.063	34%	0.338	C	S	.	.			trans	-71.6	96.3	178.4	-82.5	176.3	0	0	0	111.1	Y381 L388 M395 N405 E406 L409 L424 F452	Y381-L401 HydrophobicContact CE2-CD1 4.01Å; Y381-L401 HydrophobicContact CE2-CG 3.96Å; L388-L401 HydrophobicContact CD1-CD2 3.53Å; M395-L401 HydrophobicContact CE-CD2 4.03Å; M395-L401 HydrophobicContact CE-CG 4.39Å; M395-L401 HydrophobicContact SD-CD2 4.1Å; L401-N405 HydrophobicContact CD2-CB 4Å; L401-E406 HydrophobicContact CB-CG 4.32Å; L401-L409 HydrophobicContact CD1-CD2 4.25Å; L401-L424 HydrophobicContact CD1-CD2 3.55Å; L401-F452 HydrophobicContact CD1-CZ 4.48Å
402	S	91.4	Very high	92.8	Very high	57 Å²	57	59.2 Å²	59.2	40%	0.399	33%	0.329	S	S	.	.			trans	-55	144.6	170.5	77.5	0	0	0	0	111.4	D400 P404 N405 E406	D400-S402 PolarHBondContact O-N 2.71Å; S402-P404 VanDerWaalsContact C-CD 3.4Å; S402-P404 VanDerWaalsContact C-N 3.31Å; S402-P404 VanDerWaalsContact O-N 3.13Å; S402-N405 WeakPolarHBondContact O-CA 3.44Å; S402-N405 VanDerWaalsContact O-CB 3.29Å; S402-N405 WeakPolarHBondContact O-CB 3.41Å; S402-N405 PolarHBondContact O-N 3.49Å; S402-N405 VanDerWaalsContact OG-CG 3.23Å; S402-N405 PolarHBondContact OG-ND2 2.94Å; S402-N405 PolarHBondContact OG-OD1 3.09Å; S402-E406 PolarHBondContact O-N 3.02Å; S402-E406 VanDerWaalsContact O-N 3.09Å
403	T	88.8	Confident	93	Very high	65 Å²	65	56.1 Å²	56.1	40%	0.399	30%	0.297	S	S	.	.	H	α-helix	trans	-56.3	-28.9	-174.8	-59.2	0	0	0	0	116.8	E406	T403-E406 VanDerWaalsContact CA-OE2 3.24Å; T403-E406 WeakPolarHBondContact CA-OE2 3.4Å; T403-E406 WeakPolarHBondContact CG2-OE2 3.43Å; T403-E406 PolarHBondContact OG1-OE2 3.17Å
404	P	93.1	Very high	93.2	Very high	92 Å²	92	57.1 Å²	57.1	60%	0.597	30%	0.299	S	S	*	.	H	α-helix	trans	-65.9	-36.7	166.5	-23.9	36.1	0	0	0	113.7	S402 K407 L408	S402-P404 VanDerWaalsContact C-CD 3.4Å; S402-P404 VanDerWaalsContact C-N 3.31Å; S402-P404 VanDerWaalsContact O-N 3.13Å; P404-K407 PolarHBondContact O-N 3.36Å; P404-L408 PolarHBondContact O-N 3.38Å
405	N	94.4	Very high	93.4	Very high	23 Å²	23	54.9 Å²	54.9	12%	0.123	29%	0.288	C	S	.	.	H	α-helix	trans	-71.1	-39.5	179.4	-62.7	-3.9	0	0	0	111.2	L388 L401 S402 K407 L408 L409	L388-N405 HydrophobicContact CD1-CB 4.21Å; L388-N405 HydrophobicContact CD2-CB 4.35Å; L401-N405 HydrophobicContact CD2-CB 4Å; S402-N405 WeakPolarHBondContact O-CA 3.44Å; S402-N405 VanDerWaalsContact O-CB 3.29Å; S402-N405 WeakPolarHBondContact O-CB 3.41Å; S402-N405 PolarHBondContact O-N 3.49Å; S402-N405 VanDerWaalsContact OG-CG 3.23Å; S402-N405 PolarHBondContact OG-ND2 2.94Å; S402-N405 PolarHBondContact OG-OD1 3.09Å; N405-K407 VanDerWaalsContact C-N 3.27Å; N405-K407 PolarHBondContact O-N 3.12Å; N405-L408 PolarHBondContact O-N 3.4Å; N405-L408 VanDerWaalsContact O-N 3.16Å; N405-L409 WeakPolarHBondContact O-CB 3.49Å; N405-L409 PolarHBondContact O-N 2.77Å
406	E	94.2	Very high	93.7	Very high	20 Å²	20	59.8 Å²	59.8	9%	0.093	31%	0.309	C	S	.	.	H	α-helix	trans	-51.1	-48.2	169.9	-58.4	-179.6	101.4	0	0	111.2	L401 S402 T403 L409 G410 F452 G455 E457	L401-E406 HydrophobicContact CB-CG 4.32Å; S402-E406 PolarHBondContact O-N 3.02Å; S402-E406 VanDerWaalsContact O-N 3.09Å; T403-E406 VanDerWaalsContact CA-OE2 3.24Å; T403-E406 WeakPolarHBondContact CA-OE2 3.4Å; T403-E406 WeakPolarHBondContact CG2-OE2 3.43Å; T403-E406 PolarHBondContact OG1-OE2 3.17Å; E406-L409 PolarHBondContact O-N 2.79Å; E406-G410 PolarHBondContact O-N 3.31Å; E406-F452 HydrophobicContact CB-CE1 4.16Å; E406-F452 HydrophobicContact CG-CE1 4.03Å; E406-F452 WeakPolarHBondContact OE1-CE1 3.32Å; E406-G455 CarbonylContact C-O 3.55Å; E406-G455 WeakPolarHBondContact CB-O 3.44Å; E406-E457 WeakPolarHBondContact OE1-CB 3.5Å; E406-E457 PolarHBondContact OE1-N 2.83Å
407	K	94	Very high	94	Very high	73 Å²	73	62 Å²	62	32%	0.317	31%	0.31	S	S	.	.	H	α-helix	trans	-76.2	-20.2	-178.8	-75.1	-162	165.5	-171.2	0	114.5	R314 P404 N405 R411 G455 E456	R314-K407 VanDerWaalsContact NH2-CE 3.29Å; P404-K407 PolarHBondContact O-N 3.36Å; N405-K407 VanDerWaalsContact C-N 3.27Å; N405-K407 PolarHBondContact O-N 3.12Å; K407-R411 WeakPolarHBondContact O-CG 3.27Å; K407-R411 PolarHBondContact O-NE 2.92Å; K407-R411 VanDerWaalsContact O-NE 3.09Å; K407-G455 WeakPolarHBondContact CG-O 3.33Å; K407-G455 PolarHBondContact N-O 3.24Å; K407-E456 WeakPolarHBondContact CE-OE1 3.42Å; K407-E456 HydrophobicContact CG-CG 4.45Å; K407-E456 IonicContact NZ-OE1 3.75Å; K407-E456 PolarHBondContact NZ-OE1 2.83Å
408	L	96.3	Very high	94.4	Very high	34 Å²	34	62 Å²	62	18%	0.178	31%	0.31	C	S	.	.	H	α-helix	trans	-77	-50.7	168.2	-179.1	59.7	0	0	0	109.8	L388 A391 V393 P404 N405 G410 R411 L412	L388-L408 HydrophobicContact CD2-CB 4.01Å; L388-L408 HydrophobicContact CD2-CD2 3.83Å; L388-L408 HydrophobicContact CD2-CG 3.94Å; A391-L408 HydrophobicContact CB-CD2 4.11Å; V393-L408 HydrophobicContact CG2-CD2 3.47Å; V393-L408 VanDerWaalsContact CG2-CD2 3.47Å; P404-L408 PolarHBondContact O-N 3.38Å; N405-L408 PolarHBondContact O-N 3.4Å; N405-L408 VanDerWaalsContact O-N 3.16Å; L408-G410 VanDerWaalsContact C-N 3.33Å; L408-G410 PolarHBondContact O-N 2.74Å; L408-R411 WeakPolarHBondContact O-CB 3.44Å; L408-R411 PolarHBondContact O-N 2.8Å; L408-L412 HydrophobicContact CD1-CD1 4.41Å; L408-L412 HydrophobicContact CD1-CG 4.34Å; L408-L412 HydrophobicContact CG-CD1 4.05Å; L408-L412 HydrophobicContact CG-CG 4.43Å; L408-L412 WeakPolarHBondContact O-CG 3.49Å; L408-L412 PolarHBondContact O-N 3.47Å
409	L	96.6	Very high	94.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-54.9	-47.3	177.3	-178.7	64.6	0	0	0	111.6	A384 M387 L388 L401 N405 E406 R411 L412 V413 Y422 L424	A384-L409 HydrophobicContact CB-CD1 3.76Å; A384-L409 HydrophobicContact CB-CD2 3.66Å; A384-L409 HydrophobicContact CB-CG 4.38Å; M387-L409 HydrophobicContact CB-CD1 4.44Å; M387-L409 HydrophobicContact CE-CD1 4.5Å; L388-L409 HydrophobicContact CD2-CB 4.2Å; L388-L409 HydrophobicContact CG-CB 4.45Å; L401-L409 HydrophobicContact CD1-CD2 4.25Å; N405-L409 WeakPolarHBondContact O-CB 3.49Å; N405-L409 PolarHBondContact O-N 2.77Å; E406-L409 PolarHBondContact O-N 2.79Å; L409-R411 VanDerWaalsContact C-N 3.27Å; L409-R411 PolarHBondContact O-N 2.8Å; L409-L412 PolarHBondContact O-N 2.89Å; L409-V413 HydrophobicContact CD1-CG2 4.27Å; L409-V413 HydrophobicContact CG-CG2 4.39Å; L409-V413 WeakPolarHBondContact O-CB 3.38Å; L409-V413 WeakPolarHBondContact O-CG2 3.45Å; L409-V413 PolarHBondContact O-N 3.09Å; L409-Y422 HydrophobicContact CD2-CE2 4.17Å; L409-Y422 HydrophobicContact CG-CE2 4.49Å; L409-L424 HydrophobicContact CD2-CD2 4.02Å
410	G	96.4	Very high	95.1	Very high	8 Å²	8	54.7 Å²	54.7	8%	0.082	27%	0.273	C	S	.	.	H	α-helix	trans	-62.1	-29.8	177.5	0	0	0	0	0	114.4	E406 L408 K414	E406-G410 PolarHBondContact O-N 3.31Å; L408-G410 VanDerWaalsContact C-N 3.33Å; L408-G410 PolarHBondContact O-N 2.74Å; G410-K414 WeakPolarHBondContact O-CB 3.24Å; G410-K414 PolarHBondContact O-N 3.04Å; G410-K414 VanDerWaalsContact O-N 3.09Å
411	R	96.3	Very high	95.4	Very high	143 Å²	143	50.1 Å²	50.1	54%	0.54	25%	0.248	S	C	.	.	H	α-helix	trans	-73.8	-46.7	171.7	-75.3	-176.9	-67	148.4	0.4	111.6	K407 L408 L409 V413 K414 E415	K407-R411 WeakPolarHBondContact O-CG 3.27Å; K407-R411 PolarHBondContact O-NE 2.92Å; K407-R411 VanDerWaalsContact O-NE 3.09Å; L408-R411 WeakPolarHBondContact O-CB 3.44Å; L408-R411 PolarHBondContact O-N 2.8Å; L409-R411 VanDerWaalsContact C-N 3.27Å; L409-R411 PolarHBondContact O-N 2.8Å; R411-V413 VanDerWaalsContact C-N 3.27Å; R411-V413 PolarHBondContact O-N 2.76Å; R411-K414 PolarHBondContact O-N 3.24Å; R411-K414 VanDerWaalsContact O-N 3.1Å; R411-E415 WeakPolarHBondContact O-CB 3.43Å; R411-E415 WeakPolarHBondContact O-CG 3.46Å; R411-E415 PolarHBondContact O-N 3.17Å
412	L	96.9	Very high	95.7	Very high	34 Å²	34	49.6 Å²	49.6	18%	0.178	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-38.9	176	-62.8	169.8	0	0	0	111.6	M387 A391 L408 L409 K416	M387-L412 HydrophobicContact CB-CD1 4.41Å; M387-L412 HydrophobicContact CE-CB 3.65Å; A391-L412 HydrophobicContact CB-CD1 3.7Å; A391-L412 HydrophobicContact CB-CD2 4.17Å; L408-L412 HydrophobicContact CD1-CD1 4.41Å; L408-L412 HydrophobicContact CD1-CG 4.34Å; L408-L412 HydrophobicContact CG-CD1 4.05Å; L408-L412 HydrophobicContact CG-CG 4.43Å; L408-L412 WeakPolarHBondContact O-CG 3.49Å; L408-L412 PolarHBondContact O-N 3.47Å; L409-L412 PolarHBondContact O-N 2.89Å; L412-K416 WeakPolarHBondContact O-CB 3.19Å; L412-K416 PolarHBondContact O-N 2.9Å
413	V	97.2	Very high	96	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-44	174.1	167.3	0	0	0	0	111.3	L377 L379 M387 L409 R411 K416 Y417 T419 Y422	L377-V413 HydrophobicContact CD2-CG1 3.63Å; L379-V413 HydrophobicContact CD1-CG2 3.88Å; M387-V413 HydrophobicContact CE-CG2 4.11Å; L409-V413 HydrophobicContact CD1-CG2 4.27Å; L409-V413 HydrophobicContact CG-CG2 4.39Å; L409-V413 WeakPolarHBondContact O-CB 3.38Å; L409-V413 WeakPolarHBondContact O-CG2 3.45Å; L409-V413 PolarHBondContact O-N 3.09Å; R411-V413 VanDerWaalsContact C-N 3.27Å; R411-V413 PolarHBondContact O-N 2.76Å; V413-K416 PolarHBondContact O-N 2.92Å; V413-Y417 HydrophobicContact CG1-CD2 4.23Å; V413-Y417 WeakPolarHBondContact O-CB 3.43Å; V413-Y417 PolarHBondContact O-N 3.14Å; V413-T419 HydrophobicContact CG1-CG2 3.67Å; V413-Y422 HydrophobicContact CB-CD1 4.23Å; V413-Y422 HydrophobicContact CB-CE1 4.24Å; V413-Y422 HydrophobicContact CG1-CD1 3.64Å; V413-Y422 HydrophobicContact CG1-CE1 4.15Å; V413-Y422 HydrophobicContact CG1-CG 4.04Å; V413-Y422 HydrophobicContact CG2-CD1 4.41Å; V413-Y422 HydrophobicContact CG2-CE1 4.32Å
414	K	96.1	Very high	96.5	Very high	50 Å²	50	43.9 Å²	43.9	22%	0.217	21%	0.208	C	C	.	.	H	α-helix	trans	-65.1	-41.8	175.8	-175.4	167.4	-179.8	164.2	0	112.3	E368 G410 R411 K416 D418 D420	E368-K414 IonicContact OE2-NZ 2.73Å; E368-K414 PolarHBondContact OE2-NZ 3.03Å; G410-K414 WeakPolarHBondContact O-CB 3.24Å; G410-K414 PolarHBondContact O-N 3.04Å; G410-K414 VanDerWaalsContact O-N 3.09Å; R411-K414 PolarHBondContact O-N 3.24Å; R411-K414 VanDerWaalsContact O-N 3.1Å; K414-K416 VanDerWaalsContact C-N 3.34Å; K414-K416 PolarHBondContact O-N 3.35Å; K414-D418 WeakPolarHBondContact O-CA 3.33Å; K414-D418 PolarHBondContact O-N 3.45Å; K414-D420 IonicContact NZ-OD1 3.63Å; K414-D420 PolarHBondContact NZ-OD1 3.17Å; K414-D420 IonicContact NZ-OD2 3.78Å
415	E	96.3	Very high	96.7	Very high	150 Å²	150	39.5 Å²	39.5	70%	0.701	18%	0.18	S	C	*	.	H	α-helix	trans	-66	-34.2	177.8	-72.8	166.9	-161.1	0	0	112.5	R411	R411-E415 WeakPolarHBondContact O-CB 3.43Å; R411-E415 WeakPolarHBondContact O-CG 3.46Å; R411-E415 PolarHBondContact O-N 3.17Å
416	K	96.7	Very high	96.8	Very high	123 Å²	123	39.6 Å²	39.6	54%	0.535	18%	0.179	S	C	.	.	H	α-helix	trans	-91.2	-30.3	-176.9	-172.5	175.2	174.9	-166.5	0	114.7	M387 L412 V413 K414	M387-K416 HydrophobicContact CE-CD 4.14Å; M387-K416 HydrophobicContact SD-CD 4.37Å; L412-K416 WeakPolarHBondContact O-CB 3.19Å; L412-K416 PolarHBondContact O-N 2.9Å; V413-K416 PolarHBondContact O-N 2.92Å; K414-K416 VanDerWaalsContact C-N 3.34Å; K414-K416 PolarHBondContact O-N 3.35Å
417	Y	96.6	Very high	97	Very high	75 Å²	75	38.8 Å²	38.8	29%	0.294	18%	0.175	S	C	.	.	H	α-helix	trans	-130.1	0.1	-171.2	-54.8	-80.9	0	0	0	114.7	L377 V413 T419	L377-Y417 HydrophobicContact CD1-CD1 4.26Å; L377-Y417 HydrophobicContact CD1-CE1 4.24Å; L377-Y417 HydrophobicContact CD1-CG 4.44Å; L377-Y417 HydrophobicContact CD2-CD1 4.38Å; L377-Y417 HydrophobicContact CD2-CD2 3.55Å; L377-Y417 HydrophobicContact CD2-CE2 4.02Å; L377-Y417 HydrophobicContact CD2-CG 3.75Å; V413-Y417 HydrophobicContact CG1-CD2 4.23Å; V413-Y417 WeakPolarHBondContact O-CB 3.43Å; V413-Y417 PolarHBondContact O-N 3.14Å; Y417-T419 VanDerWaalsContact C-N 3.26Å; Y417-T419 PolarHBondContact O-N 3.11Å
418	D	96.9	Very high	97.1	Very high	85 Å²	85	35.3 Å²	35.3	46%	0.455	16%	0.16	S	C	.	.			trans	51.6	35.2	-179.1	-158.4	33.9	0	0	0	115.7	K371 K414	K371-D418 WeakPolarHBondContact CB-O 3.23Å; K371-D418 VanDerWaalsContact CD-O 3.26Å; K371-D418 WeakPolarHBondContact CD-O 3.09Å; K371-D418 WeakPolarHBondContact CD-OD1 3.36Å; K371-D418 IonicContact NZ-OD1 3.81Å; K371-D418 PolarHBondContact NZ-OD1 3.05Å; K371-D418 IonicContact NZ-OD2 3.15Å; K371-D418 PolarHBondContact NZ-OD2 3.02Å; K414-D418 WeakPolarHBondContact O-CA 3.33Å; K414-D418 PolarHBondContact O-N 3.45Å
419	T	97.4	Very high	97	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	16%	0.155	C	C	.	.			trans	-117.6	139	177.7	-169.7	0	0	0	0	111.9	L373 L377 V413 Y417 F421	L373-T419 HydrophobicContact CD1-CG2 4.3Å; L377-T419 HydrophobicContact CB-CG2 4.42Å; L377-T419 HydrophobicContact CD2-CG2 3.98Å; V413-T419 HydrophobicContact CG1-CG2 3.67Å; Y417-T419 VanDerWaalsContact C-N 3.26Å; Y417-T419 PolarHBondContact O-N 3.11Å; T419-F421 WeakPolarHBondContact CG2-O 3.29Å; T419-F421 PolarHBondContact OG1-N 3.46Å; T419-F421 VanDerWaalsContact OG1-N 3.1Å; T419-F421 PolarHBondContact OG1-O 3.09Å
420	D	97.5	Very high	96.8	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.037	18%	0.182	C	C	.	.	S	Bend	trans	-89.4	-7.5	165.7	-65.9	-74.8	0	0	0	111.4	F370 K371 K414 M453 R454	F370-D420 HydrophobicContact CD2-CB 3.68Å; F370-D420 HydrophobicContact CE2-CB 3.41Å; F370-D420 VanDerWaalsContact CE2-CB 3.41Å; F370-D420 HydrophobicContact CG-CB 4.33Å; F370-D420 HydrophobicContact CZ-CB 3.86Å; K371-D420 PolarHBondContact N-OD2 2.96Å; K371-D420 WeakPolarHBondContact O-CA 3.34Å; K371-D420 WeakPolarHBondContact O-CB 3.39Å; K371-D420 PolarHBondContact O-N 3.16Å; K414-D420 IonicContact NZ-OD1 3.63Å; K414-D420 PolarHBondContact NZ-OD1 3.17Å; K414-D420 IonicContact NZ-OD2 3.78Å; D420-M453 CarbonylContact O-C 3.56Å; D420-M453 WeakPolarHBondContact O-CA 3.3Å; D420-R454 HydrophobicContact CB-CG 4Å; D420-R454 PolarHBondContact O-N 3.21Å; D420-R454 IonicContact OD1-CZ 3.78Å; D420-R454 IonicContact OD1-NH1 2.68Å; D420-R454 PolarHBondContact OD1-NH1 3.02Å; D420-R454 IonicContact OD2-CZ 2.72Å; D420-R454 IonicContact OD2-NH1 3.66Å; D420-R454 PolarHBondContact OD2-NH1 2.97Å
421	F	98.3	Very high	96.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.7	-179.2	-174.6	-124.9	0	0	0	112.8	M343 F347 F370 K371 F372 T376 T419 M451 F452 M453 I458	M343-F421 HydrophobicContact CB-CE1 4.03Å; M343-F421 HydrophobicContact CB-CE2 4.34Å; M343-F421 HydrophobicContact CB-CZ 3.63Å; M343-F421 HydrophobicContact CG-CE2 4.48Å; M343-F421 HydrophobicContact CG-CZ 3.97Å; F347-F421 HydrophobicContact CE2-CB 4.23Å; F347-F421 AromaticContact CE2-CD1 3.74Å; F347-F421 HydrophobicContact CE2-CD1 3.74Å; F347-F421 AromaticContact CE2-CD2 3.93Å; F347-F421 HydrophobicContact CE2-CD2 3.93Å; F347-F421 HydrophobicContact CE2-CE1 4Å; F347-F421 HydrophobicContact CE2-CE2 4.21Å; F347-F421 AromaticContact CE2-CG 3.71Å; F347-F421 HydrophobicContact CE2-CG 3.71Å; F347-F421 HydrophobicContact CE2-CZ 4.25Å; F347-F421 HydrophobicContact CZ-CD2 4.06Å; F347-F421 HydrophobicContact CZ-CE2 4.24Å; F347-F421 HydrophobicContact CZ-CG 4.28Å; F370-F421 HydrophobicContact CE1-CB 3.97Å; F370-F421 HydrophobicContact CZ-CB 3.84Å; K371-F421 PolarHBondContact O-N 2.84Å; F372-F421 HydrophobicContact CB-CB 4.02Å; F372-F421 HydrophobicContact CB-CD1 4.49Å; T376-F421 HydrophobicContact CG2-CD1 3.55Å; T376-F421 HydrophobicContact CG2-CE1 3.46Å; T376-F421 VanDerWaalsContact CG2-CE1 3.46Å; T376-F421 HydrophobicContact CG2-CZ 4.37Å; T419-F421 WeakPolarHBondContact CG2-O 3.29Å; T419-F421 PolarHBondContact OG1-N 3.46Å; T419-F421 VanDerWaalsContact OG1-N 3.1Å; T419-F421 PolarHBondContact OG1-O 3.09Å; F421-M451 HydrophobicContact CE2-CB 4.11Å; F421-M451 HydrophobicContact CE2-SD 4.49Å; F421-M451 HydrophobicContact CZ-SD 4.07Å; F421-F452 WeakPolarHBondContact CA-O 3.14Å; F421-F452 WeakPolarHBondContact CD2-O 3.44Å; F421-M453 HydrophobicContact CD2-CG 4.11Å; F421-I458 HydrophobicContact CE2-CD1 4.33Å
422	Y	98.3	Very high	96.5	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	161.7	172.8	66.2	-84.7	0	0	0	112.4	L377 L409 V413 L424 F452	L377-Y422 CarbonylContact O-C 3.52Å; L377-Y422 WeakPolarHBondContact O-CA 3.41Å; L409-Y422 HydrophobicContact CD2-CE2 4.17Å; L409-Y422 HydrophobicContact CG-CE2 4.49Å; V413-Y422 HydrophobicContact CB-CD1 4.23Å; V413-Y422 HydrophobicContact CB-CE1 4.24Å; V413-Y422 HydrophobicContact CG1-CD1 3.64Å; V413-Y422 HydrophobicContact CG1-CE1 4.15Å; V413-Y422 HydrophobicContact CG1-CG 4.04Å; V413-Y422 HydrophobicContact CG2-CD1 4.41Å; V413-Y422 HydrophobicContact CG2-CE1 4.32Å; Y422-L424 HydrophobicContact CE2-CB 4.46Å; Y422-F452 HydrophobicContact CD1-CB 3.97Å; Y422-F452 HydrophobicContact CD2-CB 4.34Å; Y422-F452 HydrophobicContact CD2-CD2 4.14Å; Y422-F452 HydrophobicContact CE1-CB 3.49Å; Y422-F452 VanDerWaalsContact CE1-CB 3.49Å; Y422-F452 HydrophobicContact CE1-CG 4.14Å; Y422-F452 HydrophobicContact CE2-CB 3.88Å; Y422-F452 AromaticContact CE2-CD2 3.48Å; Y422-F452 HydrophobicContact CE2-CD2 3.48Å; Y422-F452 VanDerWaalsContact CE2-CD2 3.48Å; Y422-F452 HydrophobicContact CE2-CE2 4.24Å; Y422-F452 AromaticContact CE2-CG 3.78Å; Y422-F452 HydrophobicContact CE2-CG 3.78Å; Y422-F452 HydrophobicContact CG-CB 4.37Å; Y422-F452 VanDerWaalsContact CZ-CB 3.42Å; Y422-F452 AromaticContact CZ-CD2 3.76Å; Y422-F452 AromaticContact CZ-CG 3.53Å; Y422-F452 PolarHBondContact N-O 3.41Å; Y422-F452 PolarHBondContact O-N 3.39Å; Y422-F452 WeakPolarHBondContact OH-CG 3.5Å
423	V	98.4	Very high	96.2	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139	169.8	-170.3	0	0	0	0	109.2	I336 T340 T376 L377 R378 L379 M451	I336-V423 HydrophobicContact CG2-CG1 4.21Å; I336-V423 HydrophobicContact CG2-CG2 4.3Å; T340-V423 HydrophobicContact CG2-CG2 3.34Å; T376-V423 HydrophobicContact CG2-CG2 4.13Å; L377-V423 PolarHBondContact O-N 2.97Å; R378-V423 WeakPolarHBondContact CA-O 3.3Å; R378-V423 HydrophobicContact CB-CB 4.31Å; R378-V423 HydrophobicContact CG-CB 4.35Å; L379-V423 PolarHBondContact N-O 3.41Å; V423-M451 HydrophobicContact CG1-CE 4.46Å; V423-M451 HydrophobicContact CG1-CG 4.28Å; V423-M451 HydrophobicContact CG2-CE 4.08Å; V423-M451 HydrophobicContact CG2-CG 4.05Å; V423-M451 HydrophobicContact CG2-SD 4.27Å
424	L	98.1	Very high	96	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117	165.9	-172.8	61.7	0	0	0	109	L379 E380 Y381 A384 L401 L409 Y422 Y427 Y449 D450 F452	L379-L424 HydrophobicContact CB-CD1 3.97Å; L379-L424 WeakPolarHBondContact O-CA 3.35Å; E380-L424 WeakPolarHBondContact O-CD1 3.48Å; Y381-L424 HydrophobicContact CD2-CD2 3.89Å; Y381-L424 HydrophobicContact CD2-CG 4.26Å; Y381-L424 HydrophobicContact CE2-CD2 4.24Å; A384-L424 HydrophobicContact CB-CD1 3.54Å; A384-L424 HydrophobicContact CB-CD2 3.91Å; A384-L424 HydrophobicContact CB-CG 4.4Å; L401-L424 HydrophobicContact CD1-CD2 3.55Å; L409-L424 HydrophobicContact CD2-CD2 4.02Å; Y422-L424 HydrophobicContact CE2-CB 4.46Å; L424-Y427 HydrophobicContact CB-CE2 3.87Å; L424-Y427 HydrophobicContact CD2-CE2 3.72Å; L424-Y427 HydrophobicContact CG-CD2 4.36Å; L424-Y427 HydrophobicContact CG-CE2 3.64Å; L424-Y427 WeakPolarHBondContact O-CE2 3.42Å; L424-Y449 CarbonylContact O-C 3.6Å; L424-Y449 WeakPolarHBondContact O-CA 3.32Å; L424-D450 PolarHBondContact N-O 3.49Å; L424-D450 PolarHBondContact O-N 3.47Å; L424-F452 HydrophobicContact CB-CD2 4.35Å; L424-F452 HydrophobicContact CB-CE2 3.91Å; L424-F452 HydrophobicContact CD2-CE2 4.41Å
425	D	97.6	Very high	95.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	171.4	-174.3	-167.8	8.9	0	0	0	111	Y332 H333 R378 L379 E380 Y381 Y427	Y332-D425 WeakPolarHBondContact CE2-OD1 3.3Å; Y332-D425 PolarHBondContact OH-OD1 3.07Å; Y332-D425 PolarHBondContact OH-OD2 3.17Å; Y332-D425 VanDerWaalsContact OH-OD2 3.06Å; H333-D425 IonicContact CD2-OD2 2.78Å; H333-D425 IonicContact CE1-OD2 2.68Å; H333-D425 IonicContact NE2-OD2 2.67Å; H333-D425 PolarHBondContact NE2-OD2 3.26Å; R378-D425 HydrophobicContact CG-CB 4.19Å; L379-D425 PolarHBondContact O-N 2.91Å; E380-D425 CarbonylContact C-O 3.58Å; Y381-D425 PolarHBondContact N-O 2.97Å; D425-Y427 PolarHBondContact O-N 2.89Å
426	K	96.8	Very high	96	Very high	24 Å²	24	26.1 Å²	26.1	10%	0.104	14%	0.138	C	C	.	.	S	Bend	trans	60	42	175.1	-58.1	-61.8	-175.1	178.8	0	115.1	Y332 E380 Y381 D439 Y445 S446 N447 S448	Y332-K426 WeakPolarHBondContact OH-CD 3.49Å; Y332-K426 WeakPolarHBondContact OH-CE 3.27Å; Y332-K426 PolarHBondContact OH-NZ 3.31Å; Y332-K426 VanDerWaalsContact OH-NZ 3.16Å; E380-K426 HydrophobicContact CB-CB 4.47Å; E380-K426 HydrophobicContact CG-CB 4.42Å; E380-K426 HydrophobicContact CG-CG 4.03Å; Y381-K426 VanDerWaalsContact CB-O 3.32Å; Y381-K426 WeakPolarHBondContact CB-O 3.47Å; K426-D439 IonicContact NZ-OD2 2.83Å; K426-D439 PolarHBondContact NZ-OD2 2.96Å; K426-Y445 WeakPolarHBondContact O-CD1 3.36Å; K426-S446 WeakPolarHBondContact CA-O 3.44Å; K426-N447 PolarHBondContact NZ-OD1 2.7Å; K426-S448 PolarHBondContact N-O 3.17Å; K426-S448 VanDerWaalsContact N-O 3.13Å
427	Y	97.3	Very high	96.1	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.012	12%	0.119	C	C	.	.			trans	-63.5	155.7	176.6	-93.5	-115.7	0	0	0	114	Y381 L424 D425 L429 V431 R432 Y445 S446 S448 D450 F452	Y381-Y427 AromaticContact CD2-CD1 3.79Å; Y381-Y427 HydrophobicContact CD2-CD1 3.79Å; Y381-Y427 AromaticContact CD2-CD2 3.66Å; Y381-Y427 HydrophobicContact CD2-CD2 3.66Å; Y381-Y427 AromaticContact CD2-CE1 3.99Å; Y381-Y427 HydrophobicContact CD2-CE1 3.99Å; Y381-Y427 AromaticContact CD2-CE2 3.85Å; Y381-Y427 HydrophobicContact CD2-CE2 3.85Å; Y381-Y427 AromaticContact CD2-CG 3.65Å; Y381-Y427 HydrophobicContact CD2-CG 3.65Å; Y381-Y427 AromaticContact CE2-CD1 3.58Å; Y381-Y427 HydrophobicContact CE2-CD1 3.58Å; Y381-Y427 HydrophobicContact CE2-CD2 4.25Å; Y381-Y427 AromaticContact CE2-CE1 3.56Å; Y381-Y427 HydrophobicContact CE2-CE1 3.56Å; Y381-Y427 HydrophobicContact CE2-CE2 4.22Å; Y381-Y427 AromaticContact CE2-CG 3.96Å; Y381-Y427 HydrophobicContact CE2-CG 3.96Å; Y381-Y427 AromaticContact CE2-CZ 3.9Å; L424-Y427 HydrophobicContact CB-CE2 3.87Å; L424-Y427 HydrophobicContact CD2-CE2 3.72Å; L424-Y427 HydrophobicContact CG-CD2 4.36Å; L424-Y427 HydrophobicContact CG-CE2 3.64Å; L424-Y427 WeakPolarHBondContact O-CE2 3.42Å; D425-Y427 PolarHBondContact O-N 2.89Å; Y427-L429 PolarHBondContact O-N 3.04Å; Y427-V431 HydrophobicContact CD1-CG2 4.34Å; Y427-R432 VanDerWaalsContact CD1-CZ 3.48Å; Y427-R432 VanDerWaalsContact CD1-NH2 3.27Å; Y427-Y445 CarbonylContact O-C 3.59Å; Y427-Y445 WeakPolarHBondContact O-CA 3.2Å; Y427-S446 PolarHBondContact O-N 2.88Å; Y427-S446 PolarHBondContact O-OG 2.86Å; Y427-S448 WeakPolarHBondContact CB-OG 3.45Å; Y427-S448 PolarHBondContact N-O 3.42Å; Y427-D450 VanDerWaalsContact CE1-OD2 3.3Å; Y427-D450 WeakPolarHBondContact CE1-OD2 3.35Å; Y427-D450 HydrophobicContact CE2-CB 4.16Å; Y427-D450 PolarHBondContact OH-OD2 2.73Å; Y427-F452 WeakPolarHBondContact OH-CZ 3.38Å
428	P	96.6	Very high	96.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-57.4	133.9	174.1	-22.8	33.6	0	0	0	112.6	Y381 A430 V431 R432 K444 Y445	Y381-P428 HydrophobicContact CD1-CG 3.96Å; Y381-P428 HydrophobicContact CE1-CG 3.72Å; P428-A430 PolarHBondContact O-N 3.46Å; P428-V431 HydrophobicContact CB-CG2 4.31Å; P428-V431 WeakPolarHBondContact O-CG2 3.42Å; P428-V431 PolarHBondContact O-N 3.33Å; P428-R432 WeakPolarHBondContact O-CG 3.47Å; P428-K444 CarbonylContact C-O 3.21Å; P428-K444 WeakPolarHBondContact CA-O 3.01Å; P428-Y445 HydrophobicContact CG-CD1 4.43Å; P428-Y445 HydrophobicContact CG-CE1 4.26Å
429	L	95.6	Very high	96.1	Very high	15 Å²	15	15.8 Å²	15.8	8%	0.079	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.3	179.6	-177.2	64.7	0	0	0	113	Y427 P438 P443 K444 R474	Y427-L429 PolarHBondContact O-N 3.04Å; L429-P438 HydrophobicContact CD1-CB 4.48Å; L429-P438 HydrophobicContact CD1-CG 4.22Å; L429-P438 HydrophobicContact CD2-CB 3.84Å; L429-P438 HydrophobicContact CD2-CG 3.81Å; L429-P443 VanDerWaalsContact CD2-O 3.29Å; L429-P443 WeakPolarHBondContact CD2-O 3.5Å; L429-K444 WeakPolarHBondContact CB-O 3.45Å; L429-K444 PolarHBondContact N-O 2.95Å; L429-R474 VanDerWaalsContact CD1-NH2 3.3Å; L429-R474 PolarHBondContact O-NH2 3.02Å
430	A	92.3	Very high	96.1	Very high	67 Å²	67	21 Å²	21	55%	0.554	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-37.8	178.7	0	0	0	0	0	112.7	P428 R432	P428-A430 PolarHBondContact O-N 3.46Å; A430-R432 VanDerWaalsContact C-N 3.31Å; A430-R432 PolarHBondContact O-N 3.17Å
431	V	91.6	Very high	96	Very high	52 Å²	52	27.5 Å²	27.5	32%	0.315	16%	0.164	S	C	.	.	S	Bend	trans	-87.9	3	-177.1	-52	0	0	0	0	113.2	D400 Y427 P428	D400-V431 HydrophobicContact CB-CB 4.34Å; D400-V431 HydrophobicContact CB-CG1 3.89Å; Y427-V431 HydrophobicContact CD1-CG2 4.34Å; P428-V431 HydrophobicContact CB-CG2 4.31Å; P428-V431 WeakPolarHBondContact O-CG2 3.42Å; P428-V431 PolarHBondContact O-N 3.33Å
432	R	93.1	Very high	95.7	Very high	20 Å²	20	30.4 Å²	30.4	8%	0.075	18%	0.179	C	C	.	.	S	Bend	trans	-113.6	146	-171.2	-65.2	-62.1	-154.4	-158.6	5.8	113.5	Y427 P428 A430 T436 S448 D450 S460 H478	Y427-R432 VanDerWaalsContact CD1-CZ 3.48Å; Y427-R432 VanDerWaalsContact CD1-NH2 3.27Å; P428-R432 WeakPolarHBondContact O-CG 3.47Å; A430-R432 VanDerWaalsContact C-N 3.31Å; A430-R432 PolarHBondContact O-N 3.17Å; R432-T436 HydrophobicContact CB-CG2 3.98Å; R432-T436 HydrophobicContact CG-CG2 4.49Å; R432-S448 WeakPolarHBondContact CG-OG 3.36Å; R432-S448 PolarHBondContact NE-OG 2.95Å; R432-D450 IonicContact CZ-OD1 2.8Å; R432-D450 IonicContact CZ-OD2 2.81Å; R432-D450 VanDerWaalsContact CZ-OD2 3.28Å; R432-D450 IonicContact NH1-OD1 2.71Å; R432-D450 PolarHBondContact NH1-OD1 2.83Å; R432-D450 VanDerWaalsContact NH1-OD1 3.1Å; R432-D450 IonicContact NH1-OD2 2.73Å; R432-D450 PolarHBondContact NH1-OD2 2.91Å; R432-D450 IonicContact NH2-OD1 3.24Å; R432-D450 PolarHBondContact NH2-OD1 2.8Å; R432-D450 IonicContact NH2-OD2 2.63Å; R432-D450 PolarHBondContact NH2-OD2 3.03Å; R432-S460 PolarHBondContact NH1-OG 2.8Å; R432-H478 PolarHBondContact O-CE1 3.21Å
433	P	92.3	Very high	95.4	Very high	50 Å²	50	35 Å²	35	33%	0.325	21%	0.209	S	C	.	.			trans	-56.5	153.3	-178.5	-26.8	34.9	0	0	0	114.4	Y435 T436	P433-Y435 HydrophobicContact CB-CD1 4.21Å; P433-Y435 HydrophobicContact CB-CD2 4.18Å; P433-Y435 HydrophobicContact CB-CE1 3.78Å; P433-Y435 HydrophobicContact CB-CE2 3.74Å; P433-Y435 HydrophobicContact CB-CG 4.39Å; P433-Y435 HydrophobicContact CG-CE1 4.49Å; P433-Y435 HydrophobicContact CG-CE2 4.1Å; P433-Y435 PolarHBondContact O-N 2.81Å; P433-T436 WeakPolarHBondContact O-CB 3.08Å; P433-T436 PolarHBondContact O-N 3.31Å; P433-T436 PolarHBondContact O-OG1 2.73Å
434	F	92.9	Very high	95.2	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.013	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-38.1	-177.9	76.9	-76.8	0	0	0	115.3	T436 L471 R474 A475 H478 I480 I485 Y488	F434-T436 PolarHBondContact O-N 3.5Å; F434-T436 VanDerWaalsContact O-N 3.15Å; F434-L471 HydrophobicContact CD2-CD1 3.96Å; F434-L471 HydrophobicContact CE2-CD1 3.81Å; F434-R474 HydrophobicContact CB-CB 4.42Å; F434-R474 WeakPolarHBondContact O-CB 3.43Å; F434-A475 HydrophobicContact CD2-CB 3.77Å; F434-A475 HydrophobicContact CE2-CB 4.19Å; F434-H478 HydrophobicContact CB-CB 3.9Å; F434-I480 HydrophobicContact CB-CD1 3.87Å; F434-I480 HydrophobicContact CD1-CD1 3.17Å; F434-I480 HydrophobicContact CD2-CD1 4.14Å; F434-I480 HydrophobicContact CE1-CD1 3.62Å; F434-I480 HydrophobicContact CG-CD1 3.46Å; F434-I480 VanDerWaalsContact CG-CD1 3.46Å; F434-I480 HydrophobicContact CZ-CD1 4.27Å; F434-I485 HydrophobicContact CE2-CD1 3.86Å; F434-I485 HydrophobicContact CZ-CD1 4.07Å; F434-Y488 HydrophobicContact CE2-CE1 4.14Å; F434-Y488 HydrophobicContact CZ-CE1 4.09Å
435	Y	94.3	Very high	95.1	Very high	17 Å²	17	41.8 Å²	41.8	7%	0.067	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-2	-179.5	54.2	-117.7	0	0	0	114.6	E262 Q284 P433 R464 V465	E262-Y435 HydrophobicContact CG-CE1 4.5Å; E262-Y435 PolarHBondContact OE1-OH 2.99Å; Q284-Y435 HydrophobicContact CG-CE1 4.05Å; Q284-Y435 HydrophobicContact CG-CE2 4.32Å; P433-Y435 HydrophobicContact CB-CD1 4.21Å; P433-Y435 HydrophobicContact CB-CD2 4.18Å; P433-Y435 HydrophobicContact CB-CE1 3.78Å; P433-Y435 HydrophobicContact CB-CE2 3.74Å; P433-Y435 HydrophobicContact CB-CG 4.39Å; P433-Y435 HydrophobicContact CG-CE1 4.49Å; P433-Y435 HydrophobicContact CG-CE2 4.1Å; P433-Y435 PolarHBondContact O-N 2.81Å; Y435-R464 CarbonylContact O-C 3.54Å; Y435-R464 WeakPolarHBondContact O-CA 3.44Å; Y435-V465 PolarHBondContact O-N 3.05Å
436	T	97.3	Very high	95.1	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-77.6	129.1	-178	-53.2	0	0	0	0	111.5	R432 P433 F434 P438 A462 V465	R432-T436 HydrophobicContact CB-CG2 3.98Å; R432-T436 HydrophobicContact CG-CG2 4.49Å; P433-T436 WeakPolarHBondContact O-CB 3.08Å; P433-T436 PolarHBondContact O-N 3.31Å; P433-T436 PolarHBondContact O-OG1 2.73Å; F434-T436 PolarHBondContact O-N 3.5Å; F434-T436 VanDerWaalsContact O-N 3.15Å; T436-P438 WeakPolarHBondContact O-CD 3.26Å; T436-A462 HydrophobicContact CG2-CB 3.98Å; T436-V465 WeakPolarHBondContact O-CG2 3.17Å
437	M	98.2	Very high	95.2	Very high	26 Å²	26	41 Å²	41	13%	0.128	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-70.7	127.4	177.3	-171.2	67.1	87.3	0	0	111.8	S446 N447 Q463 V465 L470	M437-S446 WeakPolarHBondContact O-CA 3.38Å; M437-S446 WeakPolarHBondContact O-CB 3.32Å; M437-N447 HydrophobicContact CB-CB 4.49Å; M437-N447 PolarHBondContact O-N 2.83Å; M437-Q463 HydrophobicContact CB-CB 3.94Å; M437-Q463 HydrophobicContact CB-CG 3.73Å; M437-Q463 HydrophobicContact CG-CG 4.16Å; M437-Q463 PolarHBondContact N-O 3.26Å; M437-V465 HydrophobicContact CB-CG2 4.41Å; M437-V465 HydrophobicContact SD-CG2 4.08Å; M437-L470 HydrophobicContact SD-CD2 4.07Å
438	P	97.8	Very high	95.2	Very high	27 Å²	27	40.9 Å²	40.9	18%	0.175	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-59.4	153.7	169.2	-23.5	35.2	0	0	0	113.1	L429 T436	L429-P438 HydrophobicContact CD1-CB 4.48Å; L429-P438 HydrophobicContact CD1-CG 4.22Å; L429-P438 HydrophobicContact CD2-CB 3.84Å; L429-P438 HydrophobicContact CD2-CG 3.81Å; T436-P438 WeakPolarHBondContact O-CD 3.26Å
439	D	97.1	Very high	95.3	Very high	14 Å²	14	40.9 Å²	40.9	8%	0.075	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-74.8	134.4	168.5	-179.2	-80.6	0	0	0	110.3	K426 N441 N442 Y445	K426-D439 IonicContact NZ-OD2 2.83Å; K426-D439 PolarHBondContact NZ-OD2 2.96Å; D439-N441 VanDerWaalsContact C-N 3.32Å; D439-N441 PolarHBondContact O-N 3.01Å; D439-N441 WeakPolarHBondContact OD1-CA 3.15Å; D439-N441 WeakPolarHBondContact OD1-CB 3.35Å; D439-N441 PolarHBondContact OD1-N 2.8Å; D439-N441 PolarHBondContact OD1-ND2 3.21Å; D439-N442 CarbonylContact O-C 3.46Å; D439-N442 PolarHBondContact OD1-N 2.86Å; D439-Y445 PolarHBondContact N-O 3.36Å
440	P	96.1	Very high	95.4	Very high	110 Å²	110	40.6 Å²	40.6	71%	0.714	23%	0.233	S	C	*	.	S	Bend	trans	-75.1	-16.4	-175.3	30.3	-36.5	0	0	0	114.5
441	N	95.6	Very high	95.7	Very high	144 Å²	144	37.4 Å²	37.4	77%	0.77	21%	0.207	S	C	*	.	S	Bend	trans	-96.5	-32.1	180	-48.7	-76.9	0	0	0	111.7	D439	D439-N441 VanDerWaalsContact C-N 3.32Å; D439-N441 PolarHBondContact O-N 3.01Å; D439-N441 WeakPolarHBondContact OD1-CA 3.15Å; D439-N441 WeakPolarHBondContact OD1-CB 3.35Å; D439-N441 PolarHBondContact OD1-N 2.8Å; D439-N441 PolarHBondContact OD1-ND2 3.21Å
442	N	93.4	Very high	96	Very high	61 Å²	61	35 Å²	35	33%	0.326	19%	0.192	S	C	.	.			trans	-141.7	104.8	177.5	-174.7	-8.1	0	0	0	111.8	D439 K444 Y445	D439-N442 CarbonylContact O-C 3.46Å; D439-N442 PolarHBondContact OD1-N 2.86Å; N442-K444 PolarHBondContact O-N 3.39Å; N442-K444 WeakPolarHBondContact OD1-CB 3.02Å; N442-K444 PolarHBondContact OD1-N 3.1Å; N442-K444 VanDerWaalsContact OD1-N 3.17Å; N442-Y445 HydrophobicContact CB-CD2 4.14Å; N442-Y445 VanDerWaalsContact ND2-CD2 3.35Å; N442-Y445 WeakPolarHBondContact ND2-CD2 3.45Å; N442-Y445 WeakPolarHBondContact ND2-CE2 3.45Å; N442-Y445 PolarHBondContact O-N 2.69Å
443	P	90.9	Very high	96.2	Very high	99 Å²	99	34 Å²	34	64%	0.643	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-3.6	-174.7	29.9	-36.9	0	0	0	114.6	L429 Y445	L429-P443 VanDerWaalsContact CD2-O 3.29Å; L429-P443 WeakPolarHBondContact CD2-O 3.5Å; P443-Y445 VanDerWaalsContact C-N 3.34Å
444	K	93.9	Very high	96.4	Very high	113 Å²	113	34.1 Å²	34.1	49%	0.491	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-26.9	167.8	-66.1	-179.4	165.4	-136	0	112.5	E398 P428 L429 N442	E398-K444 VanDerWaalsContact OE1-CD 3.28Å; E398-K444 WeakPolarHBondContact OE1-CD 3.34Å; E398-K444 VanDerWaalsContact OE1-CE 3.26Å; E398-K444 WeakPolarHBondContact OE1-CE 3.35Å; E398-K444 IonicContact OE1-NZ 3.76Å; E398-K444 PolarHBondContact OE1-NZ 2.76Å; P428-K444 CarbonylContact C-O 3.21Å; P428-K444 WeakPolarHBondContact CA-O 3.01Å; L429-K444 WeakPolarHBondContact CB-O 3.45Å; L429-K444 PolarHBondContact N-O 2.95Å; N442-K444 PolarHBondContact O-N 3.39Å; N442-K444 WeakPolarHBondContact OD1-CB 3.02Å; N442-K444 PolarHBondContact OD1-N 3.1Å; N442-K444 VanDerWaalsContact OD1-N 3.17Å
445	Y	96.5	Very high	96.4	Very high	30 Å²	30	34 Å²	34	12%	0.118	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-105.3	172.7	-179.7	-63.6	-66	0	0	0	111.5	Y381 T382 K426 Y427 P428 D439 N442 P443	Y381-Y445 HydrophobicContact CD1-CE1 4.42Å; T382-Y445 HydrophobicContact CG2-CE2 4.29Å; K426-Y445 WeakPolarHBondContact O-CD1 3.36Å; Y427-Y445 CarbonylContact O-C 3.59Å; Y427-Y445 WeakPolarHBondContact O-CA 3.2Å; P428-Y445 HydrophobicContact CG-CD1 4.43Å; P428-Y445 HydrophobicContact CG-CE1 4.26Å; D439-Y445 PolarHBondContact N-O 3.36Å; N442-Y445 HydrophobicContact CB-CD2 4.14Å; N442-Y445 VanDerWaalsContact ND2-CD2 3.35Å; N442-Y445 WeakPolarHBondContact ND2-CD2 3.45Å; N442-Y445 WeakPolarHBondContact ND2-CE2 3.45Å; N442-Y445 PolarHBondContact O-N 2.69Å; P443-Y445 VanDerWaalsContact C-N 3.34Å
446	S	97.9	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-141.2	156.6	-173.8	62.8	0	0	0	0	111.9	K426 Y427 M437 S448	K426-S446 WeakPolarHBondContact CA-O 3.44Å; Y427-S446 PolarHBondContact O-N 2.88Å; Y427-S446 PolarHBondContact O-OG 2.86Å; M437-S446 WeakPolarHBondContact O-CA 3.38Å; M437-S446 WeakPolarHBondContact O-CB 3.32Å; S446-S448 PolarHBondContact O-N 2.6Å; S446-S448 PolarHBondContact OG-OG 3.1Å
447	N	98.3	Very high	96.3	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.043	19%	0.19	C	C	.	.	S	Bend	trans	-79.3	57.5	172.2	-71.3	-12.1	0	0	0	110.1	Y332 K426 M437 A462 Q463	Y332-N447 HydrophobicContact CD1-CB 3.68Å; Y332-N447 HydrophobicContact CD2-CB 4.23Å; Y332-N447 HydrophobicContact CE1-CB 3.52Å; Y332-N447 VanDerWaalsContact CE1-OD1 3.3Å; Y332-N447 WeakPolarHBondContact CE1-OD1 3.28Å; Y332-N447 HydrophobicContact CE2-CB 4.06Å; Y332-N447 HydrophobicContact CG-CB 4.05Å; K426-N447 PolarHBondContact NZ-OD1 2.7Å; M437-N447 HydrophobicContact CB-CB 4.49Å; M437-N447 PolarHBondContact O-N 2.83Å; N447-A462 CarbonylContact O-C 3.01Å; N447-A462 WeakPolarHBondContact O-CA 3.48Å; N447-Q463 HydrophobicContact CB-CB 3.82Å; N447-Q463 PolarHBondContact ND2-OE1 2.91Å; N447-Q463 PolarHBondContact O-N 2.74Å
448	S	98	Very high	96.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.4	-180	71.8	0	0	0	0	111.9	K426 Y427 R432 S446 G461	K426-S448 PolarHBondContact N-O 3.17Å; K426-S448 VanDerWaalsContact N-O 3.13Å; Y427-S448 WeakPolarHBondContact CB-OG 3.45Å; Y427-S448 PolarHBondContact N-O 3.42Å; R432-S448 WeakPolarHBondContact CG-OG 3.36Å; R432-S448 PolarHBondContact NE-OG 2.95Å; S446-S448 PolarHBondContact O-N 2.6Å; S446-S448 PolarHBondContact OG-OG 3.1Å; S448-G461 WeakPolarHBondContact CA-O 3.09Å; S448-G461 WeakPolarHBondContact CB-O 3.33Å
449	Y	98.3	Very high	96.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	139.5	-167.3	54.7	-88.2	0	0	0	110.4	Y332 I336 I339 L424 M451 L459 G461 G501	Y332-Y449 HydrophobicContact CD2-CD1 4.01Å; Y332-Y449 HydrophobicContact CD2-CE1 4.02Å; Y332-Y449 AromaticContact CE2-CD1 3.98Å; Y332-Y449 HydrophobicContact CE2-CD1 3.98Å; Y332-Y449 HydrophobicContact CE2-CE1 4.46Å; I336-Y449 HydrophobicContact CD1-CD1 3.53Å; I336-Y449 HydrophobicContact CD1-CD2 4.2Å; I336-Y449 HydrophobicContact CD1-CE1 4.07Å; I336-Y449 HydrophobicContact CD1-CG 3.61Å; I336-Y449 HydrophobicContact CG1-CD1 3.63Å; I336-Y449 HydrophobicContact CG1-CD2 3.97Å; I336-Y449 HydrophobicContact CG1-CE1 3.63Å; I336-Y449 HydrophobicContact CG1-CE2 3.98Å; I336-Y449 HydrophobicContact CG1-CG 3.8Å; I339-Y449 HydrophobicContact CD1-CE2 4.41Å; L424-Y449 CarbonylContact O-C 3.6Å; L424-Y449 WeakPolarHBondContact O-CA 3.32Å; Y449-M451 HydrophobicContact CD2-CE 4.01Å; Y449-M451 HydrophobicContact CE2-CE 3.99Å; Y449-L459 HydrophobicContact CD2-CD2 4.06Å; Y449-L459 HydrophobicContact CE2-CD2 3.87Å; Y449-G461 PolarHBondContact N-O 2.81Å; Y449-G461 PolarHBondContact O-N 2.93Å; Y449-G461 VanDerWaalsContact O-O 3.07Å; Y449-G501 PolarHBondContact OH-O 2.79Å
450	D	98	Very high	96	Very high	9 Å²	9	35 Å²	35	5%	0.048	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	153	169.2	-62.5	-27.3	0	0	0	109.7	L424 Y427 R432 F452 E457 L459 S460	L424-D450 PolarHBondContact N-O 3.49Å; L424-D450 PolarHBondContact O-N 3.47Å; Y427-D450 VanDerWaalsContact CE1-OD2 3.3Å; Y427-D450 WeakPolarHBondContact CE1-OD2 3.35Å; Y427-D450 HydrophobicContact CE2-CB 4.16Å; Y427-D450 PolarHBondContact OH-OD2 2.73Å; R432-D450 IonicContact CZ-OD1 2.8Å; R432-D450 IonicContact CZ-OD2 2.81Å; R432-D450 VanDerWaalsContact CZ-OD2 3.28Å; R432-D450 IonicContact NH1-OD1 2.71Å; R432-D450 PolarHBondContact NH1-OD1 2.83Å; R432-D450 VanDerWaalsContact NH1-OD1 3.1Å; R432-D450 IonicContact NH1-OD2 2.73Å; R432-D450 PolarHBondContact NH1-OD2 2.91Å; R432-D450 IonicContact NH2-OD1 3.24Å; R432-D450 PolarHBondContact NH2-OD1 2.8Å; R432-D450 IonicContact NH2-OD2 2.63Å; R432-D450 PolarHBondContact NH2-OD2 3.03Å; D450-F452 HydrophobicContact CB-CE2 3.81Å; D450-F452 HydrophobicContact CB-CZ 4.22Å; D450-E457 HydrophobicContact CB-CG 4.48Å; D450-L459 CarbonylContact C-O 3.6Å; D450-L459 VanDerWaalsContact CA-O 3.25Å; D450-L459 WeakPolarHBondContact CA-O 3.41Å; D450-S460 WeakPolarHBondContact OD1-CA 3.32Å; D450-S460 WeakPolarHBondContact OD1-CB 3.44Å; D450-S460 PolarHBondContact OD1-OG 2.71Å
451	M	98.1	Very high	96	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138.2	173.8	-55.3	-173.1	-176.6	0	0	110.5	I336 I339 T340 F421 V423 Y449 I458 L459	I336-M451 HydrophobicContact CG2-CE 4.23Å; I339-M451 HydrophobicContact CB-CE 4.01Å; I339-M451 HydrophobicContact CG2-CE 3.56Å; I339-M451 HydrophobicContact CG2-SD 3.85Å; T340-M451 HydrophobicContact CG2-CE 3.64Å; T340-M451 HydrophobicContact CG2-SD 3.99Å; F421-M451 HydrophobicContact CE2-CB 4.11Å; F421-M451 HydrophobicContact CE2-SD 4.49Å; F421-M451 HydrophobicContact CZ-SD 4.07Å; V423-M451 HydrophobicContact CG1-CE 4.46Å; V423-M451 HydrophobicContact CG1-CG 4.28Å; V423-M451 HydrophobicContact CG2-CE 4.08Å; V423-M451 HydrophobicContact CG2-CG 4.05Å; V423-M451 HydrophobicContact CG2-SD 4.27Å; Y449-M451 HydrophobicContact CD2-CE 4.01Å; Y449-M451 HydrophobicContact CE2-CE 3.99Å; M451-I458 HydrophobicContact CB-CD1 4.39Å; M451-I458 HydrophobicContact CB-CG1 4.22Å; M451-I458 WeakPolarHBondContact O-CG1 3.18Å; M451-I458 PolarHBondContact O-N 3.24Å; M451-L459 HydrophobicContact CB-CB 4.17Å; M451-L459 HydrophobicContact CE-CD2 4.49Å; M451-L459 HydrophobicContact CG-CB 4.44Å; M451-L459 HydrophobicContact CG-CD2 4.07Å; M451-L459 PolarHBondContact N-O 3.29Å; M451-L459 HydrophobicContact SD-CD1 4.22Å; M451-L459 HydrophobicContact SD-CD2 4.49Å
452	F	97.8	Very high	96.1	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.8	-171.5	-70.9	-91.1	0	0	0	111.1	L401 E406 F421 Y422 L424 Y427 D450 E456 E457	L401-F452 HydrophobicContact CD1-CZ 4.48Å; E406-F452 HydrophobicContact CB-CE1 4.16Å; E406-F452 HydrophobicContact CG-CE1 4.03Å; E406-F452 WeakPolarHBondContact OE1-CE1 3.32Å; F421-F452 WeakPolarHBondContact CA-O 3.14Å; F421-F452 WeakPolarHBondContact CD2-O 3.44Å; Y422-F452 HydrophobicContact CD1-CB 3.97Å; Y422-F452 HydrophobicContact CD2-CB 4.34Å; Y422-F452 HydrophobicContact CD2-CD2 4.14Å; Y422-F452 HydrophobicContact CE1-CB 3.49Å; Y422-F452 VanDerWaalsContact CE1-CB 3.49Å; Y422-F452 HydrophobicContact CE1-CG 4.14Å; Y422-F452 HydrophobicContact CE2-CB 3.88Å; Y422-F452 AromaticContact CE2-CD2 3.48Å; Y422-F452 HydrophobicContact CE2-CD2 3.48Å; Y422-F452 VanDerWaalsContact CE2-CD2 3.48Å; Y422-F452 HydrophobicContact CE2-CE2 4.24Å; Y422-F452 AromaticContact CE2-CG 3.78Å; Y422-F452 HydrophobicContact CE2-CG 3.78Å; Y422-F452 HydrophobicContact CG-CB 4.37Å; Y422-F452 VanDerWaalsContact CZ-CB 3.42Å; Y422-F452 AromaticContact CZ-CD2 3.76Å; Y422-F452 AromaticContact CZ-CG 3.53Å; Y422-F452 PolarHBondContact N-O 3.41Å; Y422-F452 PolarHBondContact O-N 3.39Å; Y422-F452 WeakPolarHBondContact OH-CG 3.5Å; L424-F452 HydrophobicContact CB-CD2 4.35Å; L424-F452 HydrophobicContact CB-CE2 3.91Å; L424-F452 HydrophobicContact CD2-CE2 4.41Å; Y427-F452 WeakPolarHBondContact OH-CZ 3.38Å; D450-F452 HydrophobicContact CB-CE2 3.81Å; D450-F452 HydrophobicContact CB-CZ 4.22Å; F452-E456 WeakPolarHBondContact CA-O 3.38Å; F452-E457 HydrophobicContact CD1-CB 4.47Å; F452-E457 HydrophobicContact CE1-CB 4.06Å
453	M	97.4	Very high	96.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.6	166.7	-68.2	-178.5	70.6	0	0	108.9	M343 F347 F370 D420 F421 G455 E456 I458 V509 L512 Y513	M343-M453 HydrophobicContact CE-SD 4.39Å; F347-M453 HydrophobicContact CD1-CE 4.44Å; F347-M453 HydrophobicContact CE1-CE 3.48Å; F347-M453 VanDerWaalsContact CE1-CE 3.48Å; F347-M453 HydrophobicContact CE1-SD 3.95Å; F347-M453 HydrophobicContact CZ-CE 3.83Å; F347-M453 HydrophobicContact CZ-CG 4.41Å; F347-M453 HydrophobicContact CZ-SD 3.92Å; F370-M453 HydrophobicContact CD2-CE 4.1Å; F370-M453 HydrophobicContact CE1-CE 3.99Å; F370-M453 HydrophobicContact CE2-CB 4.01Å; F370-M453 HydrophobicContact CE2-CE 3.48Å; F370-M453 VanDerWaalsContact CE2-CE 3.48Å; F370-M453 HydrophobicContact CE2-CG 4.19Å; F370-M453 HydrophobicContact CZ-CB 4.15Å; F370-M453 HydrophobicContact CZ-CE 3.44Å; F370-M453 VanDerWaalsContact CZ-CE 3.44Å; F370-M453 HydrophobicContact CZ-CG 3.86Å; F370-M453 HydrophobicContact CZ-SD 4.42Å; D420-M453 CarbonylContact O-C 3.56Å; D420-M453 WeakPolarHBondContact O-CA 3.3Å; F421-M453 HydrophobicContact CD2-CG 4.11Å; M453-G455 PolarHBondContact O-N 3.25Å; M453-G455 VanDerWaalsContact O-N 3.17Å; M453-E456 PolarHBondContact N-O 2.82Å; M453-E456 PolarHBondContact O-N 3.38Å; M453-I458 HydrophobicContact CB-CG2 3.87Å; M453-I458 HydrophobicContact CG-CD1 3.86Å; M453-I458 HydrophobicContact CG-CG1 4.02Å; M453-I458 HydrophobicContact CG-CG2 3.84Å; M453-I458 HydrophobicContact SD-CD1 3.79Å; M453-I458 HydrophobicContact SD-CG1 4.36Å; M453-I458 HydrophobicContact SD-CG2 3.88Å; M453-V509 HydrophobicContact CE-CG1 4.46Å; M453-V509 HydrophobicContact SD-CB 4.33Å; M453-V509 HydrophobicContact SD-CG1 4.09Å; M453-V509 HydrophobicContact SD-CG2 4.13Å; M453-L512 HydrophobicContact CB-CB 3.73Å; M453-L512 HydrophobicContact CB-CD1 4.06Å; M453-L512 HydrophobicContact CB-CG 4.48Å; M453-L512 HydrophobicContact CE-CB 4.47Å; M453-Y513 HydrophobicContact CE-CD2 4.26Å
454	R	95.7	Very high	96.7	Very high	51 Å²	51	16.8 Å²	16.8	19%	0.192	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	31.1	-176.7	-53.2	-164.8	-171.2	-93	15.8	114.7	E368 F370 D420 L512 Y513	E368-R454 PolarHBondContact O-NH2 3.25Å; F370-R454 HydrophobicContact CD2-CG 4.27Å; F370-R454 HydrophobicContact CE2-CG 4.06Å; D420-R454 HydrophobicContact CB-CG 4Å; D420-R454 PolarHBondContact O-N 3.21Å; D420-R454 IonicContact OD1-CZ 3.78Å; D420-R454 IonicContact OD1-NH1 2.68Å; D420-R454 PolarHBondContact OD1-NH1 3.02Å; D420-R454 IonicContact OD2-CZ 2.72Å; D420-R454 IonicContact OD2-NH1 3.66Å; D420-R454 PolarHBondContact OD2-NH1 2.97Å; R454-L512 WeakPolarHBondContact CD-O 3.38Å; R454-L512 PolarHBondContact NE-O 3.3Å; R454-Y513 PolarHBondContact NH2-O 2.76Å
455	G	93.4	Very high	96.9	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.01	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	27.5	-177.6	0	0	0	0	0	114.6	E406 K407 M453	E406-G455 CarbonylContact C-O 3.55Å; E406-G455 WeakPolarHBondContact CB-O 3.44Å; K407-G455 WeakPolarHBondContact CG-O 3.33Å; K407-G455 PolarHBondContact N-O 3.24Å; M453-G455 PolarHBondContact O-N 3.25Å; M453-G455 VanDerWaalsContact O-N 3.17Å
456	E	94.6	Very high	96.9	Very high	16 Å²	16	12.5 Å²	12.5	8%	0.075	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.1	167.9	-57.2	-163.8	-148.6	0	0	110.7	R314 K407 F452 M453 L512	R314-E456 WeakPolarHBondContact CD-OE2 3.15Å; R314-E456 IonicContact CZ-OE1 3.33Å; R314-E456 IonicContact CZ-OE2 2.73Å; R314-E456 IonicContact NE-OE1 2.99Å; R314-E456 IonicContact NE-OE2 3.47Å; R314-E456 PolarHBondContact NE-OE2 2.84Å; R314-E456 VanDerWaalsContact NE-OE2 3.15Å; R314-E456 IonicContact NH1-OE1 3.17Å; R314-E456 IonicContact NH1-OE2 3.62Å; R314-E456 PolarHBondContact NH1-OE2 3.35Å; K407-E456 WeakPolarHBondContact CE-OE1 3.42Å; K407-E456 HydrophobicContact CG-CG 4.45Å; K407-E456 IonicContact NZ-OE1 3.75Å; K407-E456 PolarHBondContact NZ-OE1 2.83Å; F452-E456 WeakPolarHBondContact CA-O 3.38Å; M453-E456 PolarHBondContact N-O 2.82Å; M453-E456 PolarHBondContact O-N 3.38Å; E456-L512 HydrophobicContact CB-CD1 3.81Å; E456-L512 HydrophobicContact CB-CD2 3.93Å; E456-L512 HydrophobicContact CG-CD2 3.95Å
457	E	95.1	Very high	96.9	Very high	38 Å²	38	15.6 Å²	15.6	18%	0.178	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	128.1	178.9	178.2	-101.6	143.8	0	0	112.4	E406 D450 F452 R508	E406-E457 WeakPolarHBondContact OE1-CB 3.5Å; E406-E457 PolarHBondContact OE1-N 2.83Å; D450-E457 HydrophobicContact CB-CG 4.48Å; F452-E457 HydrophobicContact CD1-CB 4.47Å; F452-E457 HydrophobicContact CE1-CB 4.06Å; E457-R508 WeakPolarHBondContact O-CD 3.39Å; E457-R508 PolarHBondContact O-NH1 3.29Å; E457-R508 IonicContact OE1-NH1 3.65Å; E457-R508 IonicContact OE2-CZ 3.8Å; E457-R508 IonicContact OE2-NH1 2.81Å; E457-R508 PolarHBondContact OE2-NH1 3.21Å
458	I	95.4	Very high	96.9	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-22.3	176.2	57.5	140.4	0	0	0	114.3	M343 F421 M451 M453 I504 G505 R508 V509 L512	M343-I458 HydrophobicContact CE-CD1 3.65Å; F421-I458 HydrophobicContact CE2-CD1 4.33Å; M451-I458 HydrophobicContact CB-CD1 4.39Å; M451-I458 HydrophobicContact CB-CG1 4.22Å; M451-I458 WeakPolarHBondContact O-CG1 3.18Å; M451-I458 PolarHBondContact O-N 3.24Å; M453-I458 HydrophobicContact CB-CG2 3.87Å; M453-I458 HydrophobicContact CG-CD1 3.86Å; M453-I458 HydrophobicContact CG-CG1 4.02Å; M453-I458 HydrophobicContact CG-CG2 3.84Å; M453-I458 HydrophobicContact SD-CD1 3.79Å; M453-I458 HydrophobicContact SD-CG1 4.36Å; M453-I458 HydrophobicContact SD-CG2 3.88Å; I458-I504 WeakPolarHBondContact O-CA 3.44Å; I458-G505 PolarHBondContact O-N 3.01Å; I458-R508 HydrophobicContact CG2-CB 4.43Å; I458-V509 HydrophobicContact CB-CG2 4.14Å; I458-V509 HydrophobicContact CD1-CG2 4.02Å; I458-V509 HydrophobicContact CG2-CG2 4.29Å; I458-L512 HydrophobicContact CG2-CD1 3.48Å; I458-L512 VanDerWaalsContact CG2-CD1 3.48Å
459	L	96	Very high	96.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	135.1	-178	174.8	157.3	0	0	0	107.7	I339 Y449 D450 M451 G503 I504	I339-L459 HydrophobicContact CD1-CD1 4.49Å; I339-L459 HydrophobicContact CG2-CD1 3.58Å; Y449-L459 HydrophobicContact CD2-CD2 4.06Å; Y449-L459 HydrophobicContact CE2-CD2 3.87Å; D450-L459 CarbonylContact C-O 3.6Å; D450-L459 VanDerWaalsContact CA-O 3.25Å; D450-L459 WeakPolarHBondContact CA-O 3.41Å; M451-L459 HydrophobicContact CB-CB 4.17Å; M451-L459 HydrophobicContact CE-CD2 4.49Å; M451-L459 HydrophobicContact CG-CB 4.44Å; M451-L459 HydrophobicContact CG-CD2 4.07Å; M451-L459 PolarHBondContact N-O 3.29Å; M451-L459 HydrophobicContact SD-CD1 4.22Å; M451-L459 HydrophobicContact SD-CD2 4.49Å; L459-G503 WeakPolarHBondContact CA-O 3.24Å; L459-I504 HydrophobicContact CB-CG1 4.12Å; L459-I504 HydrophobicContact CD1-CD1 4.22Å; L459-I504 HydrophobicContact CD1-CG1 3.66Å; L459-I504 HydrophobicContact CG-CG1 4.24Å
460	S	94.7	Very high	96.8	Very high	50 Å²	50	25.2 Å²	25.2	35%	0.35	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.5	156.7	-168.1	0	0	0	0	110.5	R432 D450 G502 G503	R432-S460 PolarHBondContact NH1-OG 2.8Å; D450-S460 WeakPolarHBondContact OD1-CA 3.32Å; D450-S460 WeakPolarHBondContact OD1-CB 3.44Å; D450-S460 PolarHBondContact OD1-OG 2.71Å; S460-G502 VanDerWaalsContact O-CA 3.29Å; S460-G502 WeakPolarHBondContact O-CA 3.05Å; S460-G503 PolarHBondContact O-N 3.33Å
461	G	96.9	Very high	96.7	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	160.1	-172.3	0	0	0	0	0	113.6	S448 Y449 G501	S448-G461 WeakPolarHBondContact CA-O 3.09Å; S448-G461 WeakPolarHBondContact CB-O 3.33Å; Y449-G461 PolarHBondContact N-O 2.81Å; Y449-G461 PolarHBondContact O-N 2.93Å; Y449-G461 VanDerWaalsContact O-O 3.07Å; G461-G501 CarbonylContact C-O 3.55Å; G461-G501 WeakPolarHBondContact CA-O 3.23Å
462	A	97.9	Very high	96.6	Very high	2 Å²	2	26.3 Å²	26.3	2%	0.017	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	163.1	177.6	0	0	0	0	0	113	T436 N447 R464 G500 G501	T436-A462 HydrophobicContact CG2-CB 3.98Å; N447-A462 CarbonylContact O-C 3.01Å; N447-A462 WeakPolarHBondContact O-CA 3.48Å; A462-R464 PolarHBondContact O-NE 3.45Å; A462-G500 CarbonylContact O-C 3.59Å; A462-G500 WeakPolarHBondContact O-CA 3.47Å; A462-G501 PolarHBondContact N-O 3.39Å; A462-G501 PolarHBondContact O-N 3.44Å
463	Q	98.4	Very high	96.5	Very high	21 Å²	21	32.2 Å²	32.2	10%	0.098	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	140.3	149.9	-178.3	177.6	-5	0	0	110.1	F328 Y332 M437 N447	F328-Q463 HydrophobicContact CE1-CG 3.97Å; F328-Q463 HydrophobicContact CZ-CG 3.88Å; Y332-Q463 HydrophobicContact CG-CB 4.17Å; M437-Q463 HydrophobicContact CB-CB 3.94Å; M437-Q463 HydrophobicContact CB-CG 3.73Å; M437-Q463 HydrophobicContact CG-CG 4.16Å; M437-Q463 PolarHBondContact N-O 3.26Å; N447-Q463 HydrophobicContact CB-CB 3.82Å; N447-Q463 PolarHBondContact ND2-OE1 2.91Å; N447-Q463 PolarHBondContact O-N 2.74Å
464	R	97.8	Very high	96.3	Very high	7 Å²	7	33.3 Å²	33.3	3%	0.026	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-97.3	148.2	178.3	-45.3	-53.6	178.1	-172.2	4.6	111.9	Q284 Q288 E325 Y435 A462 H466 H499 G501	Q284-R464 VanDerWaalsContact NE2-CZ 3.29Å; Q284-R464 VanDerWaalsContact NE2-NE 3.17Å; Q284-R464 VanDerWaalsContact NE2-NH2 3.19Å; Q284-R464 VanDerWaalsContact OE1-NH2 3.07Å; Q288-R464 HydrophobicContact CG-CG 4.17Å; Q288-R464 VanDerWaalsContact OE1-CB 3.27Å; E325-R464 VanDerWaalsContact OE1-CG 3.26Å; E325-R464 WeakPolarHBondContact OE1-CG 3.41Å; E325-R464 IonicContact OE1-CZ 2.69Å; E325-R464 IonicContact OE1-NE 2.72Å; E325-R464 PolarHBondContact OE1-NE 2.95Å; E325-R464 IonicContact OE1-NH2 3.4Å; E325-R464 PolarHBondContact OE1-NH2 2.85Å; E325-R464 IonicContact OE2-CZ 3.1Å; E325-R464 IonicContact OE2-NE 2.71Å; E325-R464 IonicContact OE2-NH2 3.28Å; E325-R464 PolarHBondContact OE2-NH2 2.85Å; Y435-R464 CarbonylContact O-C 3.54Å; Y435-R464 WeakPolarHBondContact O-CA 3.44Å; A462-R464 PolarHBondContact O-NE 3.45Å; R464-H466 PolarHBondContact O-N 3.17Å; R464-H466 VanDerWaalsContact O-N 3.16Å; R464-H499 PolarHBondContact N-O 3.15Å; R464-G501 PolarHBondContact NH2-O 3.08Å
465	V	97.9	Very high	96.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.			trans	-72.2	104.1	167.6	-176.8	0	0	0	0	108.5	Y435 T436 M437 D467 L470 L471	Y435-V465 PolarHBondContact O-N 3.05Å; T436-V465 WeakPolarHBondContact O-CG2 3.17Å; M437-V465 HydrophobicContact CB-CG2 4.41Å; M437-V465 HydrophobicContact SD-CG2 4.08Å; V465-D467 WeakPolarHBondContact CG1-O 3.46Å; V465-L470 HydrophobicContact CG1-CB 3.78Å; V465-L470 HydrophobicContact CG1-CD2 3.92Å; V465-L470 HydrophobicContact CG1-CG 3.72Å; V465-L471 HydrophobicContact CB-CB 4.36Å; V465-L471 HydrophobicContact CB-CD1 4.26Å; V465-L471 HydrophobicContact CG1-CB 3.87Å
466	H	97.7	Very high	96.1	Very high	52 Å²	52	35.7 Å²	35.7	24%	0.241	18%	0.182	C	C	.	.			trans	-91.5	-13.9	179.3	59.8	-81.6	0	0	0	113.2	R464 F492 A496	R464-H466 PolarHBondContact O-N 3.17Å; R464-H466 VanDerWaalsContact O-N 3.16Å; H466-F492 HydrophobicContact CB-CD1 4.44Å; H466-A496 HydrophobicContact CB-CB 4.05Å
467	D	97.9	Very high	96	Very high	66 Å²	66	41.4 Å²	41.4	35%	0.353	21%	0.208	S	C	.	.	S	Bend	trans	-80	126.2	171.1	175.1	76.3	0	0	0	111	V465 Q469 L470 L471	V465-D467 WeakPolarHBondContact CG1-O 3.46Å; D467-Q469 VanDerWaalsContact C-N 3.31Å; D467-Q469 PolarHBondContact O-N 3Å; D467-Q469 WeakPolarHBondContact OD2-CA 3.36Å; D467-Q469 VanDerWaalsContact OD2-CB 3.28Å; D467-Q469 WeakPolarHBondContact OD2-CB 3.45Å; D467-Q469 PolarHBondContact OD2-N 3.06Å; D467-L470 HydrophobicContact CB-CB 4.42Å; D467-L470 PolarHBondContact OD2-N 2.91Å; D467-L471 VanDerWaalsContact O-CB 3.23Å; D467-L471 WeakPolarHBondContact O-CB 3.44Å; D467-L471 PolarHBondContact O-N 3.49Å
468	P	97.2	Very high	95.7	Very high	20 Å²	20	42.5 Å²	42.5	13%	0.13	21%	0.214	C	C	.	.	H	α-helix	trans	-71.4	-18.1	-176.5	28.1	-35.9	0	0	0	114.5	T472 I489 F492 R493	P468-T472 WeakPolarHBondContact O-CB 3.3Å; P468-T472 PolarHBondContact O-N 3.45Å; P468-T472 PolarHBondContact O-OG1 2.88Å; P468-I489 HydrophobicContact CB-CG2 4.35Å; P468-F492 HydrophobicContact CB-CB 4.23Å; P468-R493 HydrophobicContact CB-CG 4.12Å; P468-R493 HydrophobicContact CG-CG 4.25Å
469	Q	97.2	Very high	95.4	Very high	138 Å²	138	51.2 Å²	51.2	65%	0.645	25%	0.254	S	S	*	.	H	α-helix	trans	-78	-55	176.9	-52.6	-172.2	17.8	0	0	109.5	D467 L471 T472 E473	D467-Q469 VanDerWaalsContact C-N 3.31Å; D467-Q469 PolarHBondContact O-N 3Å; D467-Q469 WeakPolarHBondContact OD2-CA 3.36Å; D467-Q469 VanDerWaalsContact OD2-CB 3.28Å; D467-Q469 WeakPolarHBondContact OD2-CB 3.45Å; D467-Q469 PolarHBondContact OD2-N 3.06Å; Q469-L471 VanDerWaalsContact C-N 3.26Å; Q469-L471 PolarHBondContact O-N 2.9Å; Q469-T472 WeakPolarHBondContact O-CA 3.37Å; Q469-T472 WeakPolarHBondContact O-CB 3.38Å; Q469-T472 PolarHBondContact O-N 3.42Å; Q469-E473 WeakPolarHBondContact O-CG 3.43Å; Q469-E473 PolarHBondContact O-N 3.25Å
470	L	96.9	Very high	94.9	Very high	53 Å²	53	52.2 Å²	52.2	28%	0.277	26%	0.26	S	S	.	.	H	α-helix	trans	-59.5	-36.8	176	-178.3	59.7	0	0	0	111.8	M437 V465 D467 T472 E473 R474	M437-L470 HydrophobicContact SD-CD2 4.07Å; V465-L470 HydrophobicContact CG1-CB 3.78Å; V465-L470 HydrophobicContact CG1-CD2 3.92Å; V465-L470 HydrophobicContact CG1-CG 3.72Å; D467-L470 HydrophobicContact CB-CB 4.42Å; D467-L470 PolarHBondContact OD2-N 2.91Å; L470-T472 VanDerWaalsContact C-N 3.31Å; L470-T472 PolarHBondContact O-N 3.49Å; L470-E473 PolarHBondContact O-N 3.4Å; L470-R474 HydrophobicContact CD1-CG 4.22Å; L470-R474 HydrophobicContact CG-CG 4.48Å; L470-R474 WeakPolarHBondContact O-CB 3.49Å; L470-R474 VanDerWaalsContact O-CG 3.29Å; L470-R474 WeakPolarHBondContact O-CG 3.17Å; L470-R474 PolarHBondContact O-N 2.77Å
471	L	96.1	Very high	94.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.5	-38.1	174.8	-178.1	63.2	0	0	0	111.7	F434 V465 D467 Q469 A475 Y488 I489 F492	F434-L471 HydrophobicContact CD2-CD1 3.96Å; F434-L471 HydrophobicContact CE2-CD1 3.81Å; V465-L471 HydrophobicContact CB-CB 4.36Å; V465-L471 HydrophobicContact CB-CD1 4.26Å; V465-L471 HydrophobicContact CG1-CB 3.87Å; D467-L471 VanDerWaalsContact O-CB 3.23Å; D467-L471 WeakPolarHBondContact O-CB 3.44Å; D467-L471 PolarHBondContact O-N 3.49Å; Q469-L471 VanDerWaalsContact C-N 3.26Å; Q469-L471 PolarHBondContact O-N 2.9Å; L471-A475 VanDerWaalsContact O-CB 3.31Å; L471-A475 WeakPolarHBondContact O-CB 3.34Å; L471-A475 PolarHBondContact O-N 3.38Å; L471-Y488 HydrophobicContact CD1-CE1 4.29Å; L471-Y488 HydrophobicContact CD2-CD1 4.46Å; L471-Y488 HydrophobicContact CD2-CE1 3.89Å; L471-I489 HydrophobicContact CD2-CG1 4.22Å; L471-I489 HydrophobicContact CG-CG1 4.49Å; L471-F492 HydrophobicContact CD2-CD2 3.57Å; L471-F492 HydrophobicContact CD2-CE2 3.53Å; L471-F492 HydrophobicContact CD2-CG 4.15Å; L471-F492 HydrophobicContact CD2-CZ 4.04Å
472	T	96	Very high	94.1	Very high	32 Å²	32	55.7 Å²	55.7	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-69.8	-43.8	176.1	-58.3	0	0	0	0	111.2	P468 Q469 L470 A475 L476 L482	P468-T472 WeakPolarHBondContact O-CB 3.3Å; P468-T472 PolarHBondContact O-N 3.45Å; P468-T472 PolarHBondContact O-OG1 2.88Å; Q469-T472 WeakPolarHBondContact O-CA 3.37Å; Q469-T472 WeakPolarHBondContact O-CB 3.38Å; Q469-T472 PolarHBondContact O-N 3.42Å; L470-T472 VanDerWaalsContact C-N 3.31Å; L470-T472 PolarHBondContact O-N 3.49Å; T472-A475 PolarHBondContact O-N 3.43Å; T472-L476 HydrophobicContact CG2-CD1 4.27Å; T472-L476 WeakPolarHBondContact O-CG 3.44Å; T472-L476 PolarHBondContact O-N 3.31Å; T472-L482 HydrophobicContact CG2-CD1 3.68Å; T472-L482 HydrophobicContact CG2-CD2 4.06Å
473	E	96.1	Very high	93.6	Very high	125 Å²	125	62.1 Å²	62.1	58%	0.584	30%	0.303	S	S	*	.	H	α-helix	trans	-60.6	-44.7	175.9	-69.6	175.8	178.2	0	0	111.9	Q469 L470 L476 H477	Q469-E473 WeakPolarHBondContact O-CG 3.43Å; Q469-E473 PolarHBondContact O-N 3.25Å; L470-E473 PolarHBondContact O-N 3.4Å; E473-L476 PolarHBondContact O-N 3.11Å; E473-H477 WeakPolarHBondContact O-CB 3.5Å; E473-H477 PolarHBondContact O-N 2.94Å
474	R	94.1	Very high	92.9	Very high	22 Å²	22	67.1 Å²	67.1	8%	0.083	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-38.6	175.6	-70	-67.5	-63	163.2	-1.4	112.4	L429 F434 L470 H477 H478	L429-R474 VanDerWaalsContact CD1-NH2 3.3Å; L429-R474 PolarHBondContact O-NH2 3.02Å; F434-R474 HydrophobicContact CB-CB 4.42Å; F434-R474 WeakPolarHBondContact O-CB 3.43Å; L470-R474 HydrophobicContact CD1-CG 4.22Å; L470-R474 HydrophobicContact CG-CG 4.48Å; L470-R474 WeakPolarHBondContact O-CB 3.49Å; L470-R474 VanDerWaalsContact O-CG 3.29Å; L470-R474 WeakPolarHBondContact O-CG 3.17Å; L470-R474 PolarHBondContact O-N 2.77Å; R474-H477 PolarHBondContact O-N 3.15Å; R474-H478 PolarHBondContact NH2-NE2 3.33Å; R474-H478 PolarHBondContact O-CD2 3.09Å; R474-H478 VanDerWaalsContact O-CD2 3.32Å; R474-H478 PolarHBondContact O-N 2.91Å
475	A	91.8	Very high	92.3	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-43.2	174.1	0	0	0	0	0	111.8	F434 L471 T472 H478 Q479 I480 L482 I485	F434-A475 HydrophobicContact CD2-CB 3.77Å; F434-A475 HydrophobicContact CE2-CB 4.19Å; L471-A475 VanDerWaalsContact O-CB 3.31Å; L471-A475 WeakPolarHBondContact O-CB 3.34Å; L471-A475 PolarHBondContact O-N 3.38Å; T472-A475 PolarHBondContact O-N 3.43Å; A475-H478 CarbonylContact O-C 3.48Å; A475-H478 PolarHBondContact O-N 3.07Å; A475-Q479 PolarHBondContact O-N 3.48Å; A475-Q479 VanDerWaalsContact O-N 3.16Å; A475-I480 HydrophobicContact CB-CB 4.33Å; A475-I480 PolarHBondContact O-N 3.08Å; A475-L482 HydrophobicContact CB-CD2 3.64Å; A475-I485 HydrophobicContact CB-CD1 4.04Å
476	L	93.1	Very high	92	Very high	103 Å²	103	71.5 Å²	71.5	54%	0.539	34%	0.344	S	S	.	.	H	α-helix	trans	-64.2	-41.7	175	-72.8	170.7	0	0	0	112.4	T472 E473 H478 Q479 L482	T472-L476 HydrophobicContact CG2-CD1 4.27Å; T472-L476 WeakPolarHBondContact O-CG 3.44Å; T472-L476 PolarHBondContact O-N 3.31Å; E473-L476 PolarHBondContact O-N 3.11Å; L476-H478 VanDerWaalsContact C-N 3.27Å; L476-H478 PolarHBondContact O-N 2.88Å; L476-Q479 WeakPolarHBondContact O-CA 3.14Å; L476-Q479 PolarHBondContact O-N 2.96Å; L476-L482 HydrophobicContact CD1-CD1 4.31Å; L476-L482 HydrophobicContact CD2-CD1 3.81Å; L476-L482 HydrophobicContact CD2-CG 4.1Å; L476-L482 HydrophobicContact CG-CD1 4.02Å; L476-L482 HydrophobicContact CG-CD2 4.38Å; L476-L482 HydrophobicContact CG-CG 4.42Å
477	H	91.7	Very high	91.6	Very high	135 Å²	135	73.6 Å²	73.6	63%	0.625	36%	0.364	S	S	*	.	H	α-helix	trans	-58.8	-38.9	173.5	180	-65.9	0	0	0	112.1	E473 R474 Q479	E473-H477 WeakPolarHBondContact O-CB 3.5Å; E473-H477 PolarHBondContact O-N 2.94Å; R474-H477 PolarHBondContact O-N 3.15Å; H477-Q479 PolarHBondContact O-N 3.16Å
478	H	88.9	Confident	91.4	Very high	62 Å²	62	70.7 Å²	70.7	29%	0.287	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	9	174.9	-80	-104.3	0	0	0	113.7	R432 F434 R474 A475 L476 I480	R432-H478 PolarHBondContact O-CE1 3.21Å; F434-H478 HydrophobicContact CB-CB 3.9Å; R474-H478 PolarHBondContact NH2-NE2 3.33Å; R474-H478 PolarHBondContact O-CD2 3.09Å; R474-H478 VanDerWaalsContact O-CD2 3.32Å; R474-H478 PolarHBondContact O-N 2.91Å; A475-H478 CarbonylContact O-C 3.48Å; A475-H478 PolarHBondContact O-N 3.07Å; L476-H478 VanDerWaalsContact C-N 3.27Å; L476-H478 PolarHBondContact O-N 2.88Å; H478-I480 HydrophobicContact CB-CD1 3.94Å; H478-I480 HydrophobicContact CB-CG1 3.96Å; H478-I480 PolarHBondContact O-N 2.98Å
479	Q	89.8	Confident	91.2	Very high	184 Å²	184	70 Å²	70	86%	0.86	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	27.4	178.4	-52.2	179.5	26.3	0	0	114.1	A475 L476 H477	A475-Q479 PolarHBondContact O-N 3.48Å; A475-Q479 VanDerWaalsContact O-N 3.16Å; L476-Q479 WeakPolarHBondContact O-CA 3.14Å; L476-Q479 PolarHBondContact O-N 2.96Å; H477-Q479 PolarHBondContact O-N 3.16Å
480	I	85.4	Confident	91.1	Very high	23 Å²	23	65 Å²	65	12%	0.118	32%	0.322	C	S	.	.			trans	-82.3	131.9	-177.8	-58.4	177	0	0	0	110.2	F434 A475 H478 L482 I485	F434-I480 HydrophobicContact CB-CD1 3.87Å; F434-I480 HydrophobicContact CD1-CD1 3.17Å; F434-I480 HydrophobicContact CD2-CD1 4.14Å; F434-I480 HydrophobicContact CE1-CD1 3.62Å; F434-I480 HydrophobicContact CG-CD1 3.46Å; F434-I480 VanDerWaalsContact CG-CD1 3.46Å; F434-I480 HydrophobicContact CZ-CD1 4.27Å; A475-I480 HydrophobicContact CB-CB 4.33Å; A475-I480 PolarHBondContact O-N 3.08Å; H478-I480 HydrophobicContact CB-CD1 3.94Å; H478-I480 HydrophobicContact CB-CG1 3.96Å; H478-I480 PolarHBondContact O-N 2.98Å; I480-L482 PolarHBondContact O-N 3.22Å; I480-L482 VanDerWaalsContact O-N 3.09Å; I480-I485 HydrophobicContact CG2-CD1 3.84Å; I480-I485 HydrophobicContact CG2-CG1 4.31Å; I480-I485 HydrophobicContact CG2-CG2 4.41Å
481	D	86.8	Confident	91.1	Very high	73 Å²	73	63.6 Å²	63.6	39%	0.39	32%	0.316	S	S	.	.			trans	-65.9	105.9	174.8	-177.7	-11.8	0	0	0	110.8	E483 K484	D481-E483 PolarHBondContact O-N 3.06Å; D481-E483 PolarHBondContact OD1-N 2.91Å; D481-K484 HydrophobicContact CB-CB 4.41Å; D481-K484 HydrophobicContact CB-CD 4.19Å; D481-K484 HydrophobicContact CB-CG 4.14Å; D481-K484 WeakPolarHBondContact O-CB 3.36Å; D481-K484 PolarHBondContact O-N 3.15Å; D481-K484 IonicContact OD2-NZ 3.91Å; D481-K484 PolarHBondContact OD2-NZ 2.94Å
482	L	87.6	Confident	91.2	Very high	51 Å²	51	63.8 Å²	63.8	27%	0.267	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.1	-177.3	-60.8	-178.5	0	0	0	113.3	T472 A475 L476 I480 K484 I485 K486 I489	T472-L482 HydrophobicContact CG2-CD1 3.68Å; T472-L482 HydrophobicContact CG2-CD2 4.06Å; A475-L482 HydrophobicContact CB-CD2 3.64Å; L476-L482 HydrophobicContact CD1-CD1 4.31Å; L476-L482 HydrophobicContact CD2-CD1 3.81Å; L476-L482 HydrophobicContact CD2-CG 4.1Å; L476-L482 HydrophobicContact CG-CD1 4.02Å; L476-L482 HydrophobicContact CG-CD2 4.38Å; L476-L482 HydrophobicContact CG-CG 4.42Å; I480-L482 PolarHBondContact O-N 3.22Å; I480-L482 VanDerWaalsContact O-N 3.09Å; L482-K484 VanDerWaalsContact C-N 3.31Å; L482-K484 PolarHBondContact O-N 2.95Å; L482-I485 CarbonylContact O-C 3.44Å; L482-I485 PolarHBondContact O-N 3.25Å; L482-K486 WeakPolarHBondContact O-CA 3.46Å; L482-K486 PolarHBondContact O-N 3.47Å; L482-I489 HydrophobicContact CD2-CD1 3.88Å
483	E	87.7	Confident	91.2	Very high	138 Å²	138	68.5 Å²	68.5	65%	0.645	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-34.8	-177.9	-168.5	61.4	-158.8	0	0	110.6	D481 I485 K486	D481-E483 PolarHBondContact O-N 3.06Å; D481-E483 PolarHBondContact OD1-N 2.91Å; E483-I485 VanDerWaalsContact C-N 3.32Å; E483-I485 PolarHBondContact O-N 3.42Å; E483-K486 WeakPolarHBondContact O-CB 3.39Å; E483-K486 PolarHBondContact O-N 3.4Å
484	K	83.9	Confident	91.1	Very high	126 Å²	126	72 Å²	72	55%	0.548	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-31.1	175.7	-70.1	-170.1	-176.8	82.9	0	113.5	A259 D481 L482	A259-K484 HydrophobicContact CB-CB 3.83Å; A259-K484 HydrophobicContact CB-CD 4.39Å; A259-K484 HydrophobicContact CB-CG 4.35Å; D481-K484 HydrophobicContact CB-CB 4.41Å; D481-K484 HydrophobicContact CB-CD 4.19Å; D481-K484 HydrophobicContact CB-CG 4.14Å; D481-K484 WeakPolarHBondContact O-CB 3.36Å; D481-K484 PolarHBondContact O-N 3.15Å; D481-K484 IonicContact OD2-NZ 3.91Å; D481-K484 PolarHBondContact OD2-NZ 2.94Å; L482-K484 VanDerWaalsContact C-N 3.31Å; L482-K484 PolarHBondContact O-N 2.95Å
485	I	85.3	Confident	91.1	Very high	8 Å²	8	74.1 Å²	74.1	4%	0.041	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	12	179.2	62.3	165.9	0	0	0	113.3	F434 A475 I480 L482 E483 S487 Y488 I489	F434-I485 HydrophobicContact CE2-CD1 3.86Å; F434-I485 HydrophobicContact CZ-CD1 4.07Å; A475-I485 HydrophobicContact CB-CD1 4.04Å; I480-I485 HydrophobicContact CG2-CD1 3.84Å; I480-I485 HydrophobicContact CG2-CG1 4.31Å; I480-I485 HydrophobicContact CG2-CG2 4.41Å; L482-I485 CarbonylContact O-C 3.44Å; L482-I485 PolarHBondContact O-N 3.25Å; E483-I485 VanDerWaalsContact C-N 3.32Å; E483-I485 PolarHBondContact O-N 3.42Å; I485-S487 PolarHBondContact O-N 3.42Å; I485-Y488 WeakPolarHBondContact O-CA 3.5Å; I485-Y488 WeakPolarHBondContact O-CB 3.43Å; I485-Y488 PolarHBondContact O-N 2.92Å; I485-I489 HydrophobicContact CD1-CD1 3.77Å; I485-I489 HydrophobicContact CD1-CG1 4.14Å; I485-I489 HydrophobicContact CG1-CD1 3.91Å; I485-I489 HydrophobicContact CG1-CG1 4.29Å; I485-I489 PolarHBondContact O-N 2.7Å
486	K	90.6	Very high	91.3	Very high	91 Å²	91	74.8 Å²	74.8	40%	0.396	38%	0.375	S	S	.	.	H	α-helix	trans	-54.7	-48.2	-174	-176.4	-179.3	-177.8	-57.7	0	112.7	L482 E483 Y488 I489 D490	L482-K486 WeakPolarHBondContact O-CA 3.46Å; L482-K486 PolarHBondContact O-N 3.47Å; E483-K486 WeakPolarHBondContact O-CB 3.39Å; E483-K486 PolarHBondContact O-N 3.4Å; K486-Y488 PolarHBondContact O-N 2.76Å; K486-I489 PolarHBondContact O-N 3.37Å; K486-D490 IonicContact NZ-OD2 2.63Å; K486-D490 PolarHBondContact NZ-OD2 2.94Å; K486-D490 VanDerWaalsContact O-CB 3.3Å; K486-D490 WeakPolarHBondContact O-CB 3.43Å; K486-D490 VanDerWaalsContact O-CG 3.24Å; K486-D490 PolarHBondContact O-N 3.23Å
487	S	90.7	Very high	91.5	Very high	95 Å²	95	72 Å²	72	66%	0.664	36%	0.363	S	S	*	.	H	α-helix	trans	-63.4	-23	179.1	-51.3	0	0	0	0	114	I485	I485-S487 PolarHBondContact O-N 3.42Å
488	Y	92.2	Very high	91.9	Very high	6 Å²	6	67.5 Å²	67.5	2%	0.024	35%	0.345	C	S	.	.	H	α-helix	trans	-81.4	-50.5	173.6	164.3	-101.3	0	0	0	110.3	L285 Q288 M289 F434 L471 I485 K486 D490 S491 F492	L285-Y488 HydrophobicContact CB-CD2 3.82Å; L285-Y488 HydrophobicContact CB-CE2 4.12Å; L285-Y488 HydrophobicContact CB-CG 4.49Å; L285-Y488 HydrophobicContact CD2-CD1 4.05Å; L285-Y488 HydrophobicContact CD2-CD2 3.68Å; L285-Y488 HydrophobicContact CD2-CE1 3.9Å; L285-Y488 HydrophobicContact CD2-CE2 3.49Å; L285-Y488 VanDerWaalsContact CD2-CE2 3.49Å; L285-Y488 HydrophobicContact CD2-CG 3.93Å; L285-Y488 HydrophobicContact CG-CD2 4.22Å; L285-Y488 HydrophobicContact CG-CE2 4.38Å; Q288-Y488 HydrophobicContact CB-CE2 4.22Å; Q288-Y488 PolarHBondContact NE2-OH 3.37Å; Q288-Y488 PolarHBondContact OE1-OH 3.31Å; Q288-Y488 VanDerWaalsContact OE1-OH 3.07Å; M289-Y488 HydrophobicContact CG-CD2 4.32Å; F434-Y488 HydrophobicContact CE2-CE1 4.14Å; F434-Y488 HydrophobicContact CZ-CE1 4.09Å; L471-Y488 HydrophobicContact CD1-CE1 4.29Å; L471-Y488 HydrophobicContact CD2-CD1 4.46Å; L471-Y488 HydrophobicContact CD2-CE1 3.89Å; I485-Y488 WeakPolarHBondContact O-CA 3.5Å; I485-Y488 WeakPolarHBondContact O-CB 3.43Å; I485-Y488 PolarHBondContact O-N 2.92Å; K486-Y488 PolarHBondContact O-N 2.76Å; Y488-D490 PolarHBondContact O-N 2.91Å; Y488-S491 PolarHBondContact O-N 2.98Å; Y488-S491 VanDerWaalsContact O-N 3.08Å; Y488-S491 PolarHBondContact O-OG 3.26Å; Y488-F492 HydrophobicContact CD1-CE2 4.11Å; Y488-F492 AromaticContact CD2-CE2 3.79Å; Y488-F492 HydrophobicContact CD2-CE2 3.79Å; Y488-F492 HydrophobicContact CD2-CZ 4.28Å; Y488-F492 AromaticContact CE1-CE2 3.86Å; Y488-F492 HydrophobicContact CE1-CE2 3.86Å; Y488-F492 HydrophobicContact CE1-CZ 4.29Å; Y488-F492 AromaticContact CE2-CE2 3.52Å; Y488-F492 HydrophobicContact CE2-CE2 3.52Å; Y488-F492 AromaticContact CE2-CZ 3.58Å; Y488-F492 HydrophobicContact CE2-CZ 3.58Å; Y488-F492 HydrophobicContact CG-CE2 4.09Å; Y488-F492 AromaticContact CZ-CE2 3.56Å; Y488-F492 AromaticContact CZ-CZ 3.59Å; Y488-F492 WeakPolarHBondContact O-CD2 3.28Å; Y488-F492 VanDerWaalsContact O-CE2 3.25Å; Y488-F492 WeakPolarHBondContact O-CE2 3.45Å
489	I	93.9	Very high	92.3	Very high	6 Å²	6	64.5 Å²	64.5	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-57.9	-39.3	175.6	-62	175.2	0	0	0	111.1	P468 L471 L482 I485 K486 S491 F492	P468-I489 HydrophobicContact CB-CG2 4.35Å; L471-I489 HydrophobicContact CD2-CG1 4.22Å; L471-I489 HydrophobicContact CG-CG1 4.49Å; L482-I489 HydrophobicContact CD2-CD1 3.88Å; I485-I489 HydrophobicContact CD1-CD1 3.77Å; I485-I489 HydrophobicContact CD1-CG1 4.14Å; I485-I489 HydrophobicContact CG1-CD1 3.91Å; I485-I489 HydrophobicContact CG1-CG1 4.29Å; I485-I489 PolarHBondContact O-N 2.7Å; K486-I489 PolarHBondContact O-N 3.37Å; I489-S491 VanDerWaalsContact C-N 3.28Å; I489-S491 PolarHBondContact O-N 2.79Å; I489-F492 PolarHBondContact O-N 3.43Å
490	D	95.6	Very high	92.7	Very high	33 Å²	33	55.8 Å²	55.8	18%	0.176	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-23	179.9	-73	-14.2	0	0	0	113.4	K486 Y488 F492 R493 Y494	K486-D490 IonicContact NZ-OD2 2.63Å; K486-D490 PolarHBondContact NZ-OD2 2.94Å; K486-D490 VanDerWaalsContact O-CB 3.3Å; K486-D490 WeakPolarHBondContact O-CB 3.43Å; K486-D490 VanDerWaalsContact O-CG 3.24Å; K486-D490 PolarHBondContact O-N 3.23Å; Y488-D490 PolarHBondContact O-N 2.91Å; D490-F492 VanDerWaalsContact C-N 3.3Å; D490-F492 PolarHBondContact O-N 3.17Å; D490-R493 PolarHBondContact O-N 2.85Å; D490-R493 IonicContact OD1-CZ 3.06Å; D490-R493 IonicContact OD1-NE 3.99Å; D490-R493 PolarHBondContact OD1-NE 2.76Å; D490-R493 IonicContact OD1-NH2 3.02Å; D490-R493 PolarHBondContact OD1-NH2 3.36Å; D490-Y494 WeakPolarHBondContact O-CD2 3.13Å; D490-Y494 WeakPolarHBondContact O-CE2 3.4Å
491	S	96.1	Very high	93.3	Very high	23 Å²	23	54.7 Å²	54.7	16%	0.161	29%	0.285	C	S	.	.	H	α-helix	trans	-69.1	-28.2	175.7	69.1	0	0	0	0	112.8	Y488 I489 R493	Y488-S491 PolarHBondContact O-N 2.98Å; Y488-S491 VanDerWaalsContact O-N 3.08Å; Y488-S491 PolarHBondContact O-OG 3.26Å; I489-S491 VanDerWaalsContact C-N 3.28Å; I489-S491 PolarHBondContact O-N 2.79Å; S491-R493 VanDerWaalsContact C-N 3.29Å; S491-R493 PolarHBondContact O-N 3.5Å
492	F	97	Very high	93.8	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-75.1	-18.5	179.5	-60.5	-94.6	0	0	0	113.3	Q288 H466 P468 L471 Y488 I489 D490 Y494 A496 H499	Q288-F492 HydrophobicContact CB-CZ 4.16Å; H466-F492 HydrophobicContact CB-CD1 4.44Å; P468-F492 HydrophobicContact CB-CB 4.23Å; L471-F492 HydrophobicContact CD2-CD2 3.57Å; L471-F492 HydrophobicContact CD2-CE2 3.53Å; L471-F492 HydrophobicContact CD2-CG 4.15Å; L471-F492 HydrophobicContact CD2-CZ 4.04Å; Y488-F492 HydrophobicContact CD1-CE2 4.11Å; Y488-F492 AromaticContact CD2-CE2 3.79Å; Y488-F492 HydrophobicContact CD2-CE2 3.79Å; Y488-F492 HydrophobicContact CD2-CZ 4.28Å; Y488-F492 AromaticContact CE1-CE2 3.86Å; Y488-F492 HydrophobicContact CE1-CE2 3.86Å; Y488-F492 HydrophobicContact CE1-CZ 4.29Å; Y488-F492 AromaticContact CE2-CE2 3.52Å; Y488-F492 HydrophobicContact CE2-CE2 3.52Å; Y488-F492 AromaticContact CE2-CZ 3.58Å; Y488-F492 HydrophobicContact CE2-CZ 3.58Å; Y488-F492 HydrophobicContact CG-CE2 4.09Å; Y488-F492 AromaticContact CZ-CE2 3.56Å; Y488-F492 AromaticContact CZ-CZ 3.59Å; Y488-F492 WeakPolarHBondContact O-CD2 3.28Å; Y488-F492 VanDerWaalsContact O-CE2 3.25Å; Y488-F492 WeakPolarHBondContact O-CE2 3.45Å; I489-F492 PolarHBondContact O-N 3.43Å; D490-F492 VanDerWaalsContact C-N 3.3Å; D490-F492 PolarHBondContact O-N 3.17Å; F492-Y494 PolarHBondContact O-N 3.48Å; F492-A496 HydrophobicContact CB-CB 4.11Å; F492-A496 HydrophobicContact CD1-CB 3.66Å; F492-A496 HydrophobicContact CG-CB 4.29Å; F492-H499 AromaticContact CE1-CE1 3.77Å
493	R	96.6	Very high	94.1	Very high	130 Å²	130	50 Å²	50	49%	0.491	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.4	-175.5	-63	-172.5	-169	-70.6	-6.1	114.7	P468 D490 S491	P468-R493 HydrophobicContact CB-CG 4.12Å; P468-R493 HydrophobicContact CG-CG 4.25Å; D490-R493 PolarHBondContact O-N 2.85Å; D490-R493 IonicContact OD1-CZ 3.06Å; D490-R493 IonicContact OD1-NE 3.99Å; D490-R493 PolarHBondContact OD1-NE 2.76Å; D490-R493 IonicContact OD1-NH2 3.02Å; D490-R493 PolarHBondContact OD1-NH2 3.36Å; S491-R493 VanDerWaalsContact C-N 3.29Å; S491-R493 PolarHBondContact O-N 3.5Å
494	Y	94.9	Very high	94.5	Very high	198 Å²	198	43.5 Å²	43.5	78%	0.776	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	18.9	-171.9	-53.3	-69.4	0	0	0	113.5	D490 F492	D490-Y494 WeakPolarHBondContact O-CD2 3.13Å; D490-Y494 WeakPolarHBondContact O-CE2 3.4Å; F492-Y494 PolarHBondContact O-N 3.48Å
495	G	93.3	Very high	95.1	Very high	67 Å²	67	38 Å²	38	69%	0.691	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	104.7	54.6	174.5	0	0	0	0	0	114
496	A	96.8	Very high	95.6	Very high	15 Å²	15	37.8 Å²	37.8	12%	0.124	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-65.6	128	174.9	0	0	0	0	0	112.2	C292 H466 F492	C292-A496 VanDerWaalsContact SG-CB 3.59Å; H466-A496 HydrophobicContact CB-CB 4.05Å; F492-A496 HydrophobicContact CB-CB 4.11Å; F492-A496 HydrophobicContact CD1-CB 3.66Å; F492-A496 HydrophobicContact CG-CB 4.29Å
497	P	97.9	Very high	95.9	Very high	44 Å²	44	33.9 Å²	33.9	29%	0.286	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-73.9	159.5	172.9	32.5	-35.6	0	0	0	111	I291 A327 H499	I291-P497 HydrophobicContact CG2-CG 3.69Å; A327-P497 HydrophobicContact CB-CB 4.4Å; A327-P497 HydrophobicContact CB-CG 4.19Å; P497-H499 PolarHBondContact O-N 3.5Å; P497-H499 PolarHBondContact O-ND1 3.03Å
498	P	98.3	Very high	96.1	Very high	40 Å²	40	30.8 Å²	30.8	26%	0.26	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-64.5	128.9	169.9	27.4	-33.3	0	0	0	110.7	A327 F328	A327-P498 WeakPolarHBondContact CA-O 3.25Å; F328-P498 HydrophobicContact CE1-CB 4.4Å; F328-P498 HydrophobicContact CE2-CB 4.03Å; F328-P498 HydrophobicContact CZ-CB 3.93Å; F328-P498 PolarHBondContact N-O 2.93Å
499	H	98.6	Very high	96.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	165.3	-174.6	60	-88.6	0	0	0	112.9	Q288 I291 E325 M326 A327 F328 R464 F492 P497	Q288-H499 WeakPolarHBondContact CG-NE2 3.08Å; I291-H499 HydrophobicContact CG1-CB 4.44Å; I291-H499 HydrophobicContact CG2-CB 3.8Å; E325-H499 IonicContact OE1-CD2 3.15Å; M326-H499 VanDerWaalsContact O-CA 3.3Å; M326-H499 WeakPolarHBondContact O-CA 3.34Å; M326-H499 VanDerWaalsContact O-CB 3.31Å; M326-H499 WeakPolarHBondContact O-CB 3.28Å; A327-H499 HydrophobicContact CB-CB 4.44Å; F328-H499 VanDerWaalsContact CE1-C 3.5Å; R464-H499 PolarHBondContact N-O 3.15Å; F492-H499 AromaticContact CE1-CE1 3.77Å; P497-H499 PolarHBondContact O-N 3.5Å; P497-H499 PolarHBondContact O-ND1 3.03Å
500	G	98.1	Very high	96.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	174.2	175.7	0	0	0	0	0	112.2	E325 M326 A462	E325-G500 WeakPolarHBondContact CA-O 3.48Å; E325-G500 WeakPolarHBondContact OE1-CA 3.37Å; M326-G500 PolarHBondContact N-O 2.9Å; M326-G500 PolarHBondContact O-N 2.95Å; A462-G500 CarbonylContact O-C 3.59Å; A462-G500 WeakPolarHBondContact O-CA 3.47Å
501	G	97.6	Very high	96.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.4	-171.1	-178.9	0	0	0	0	0	112.8	I324 E325 Y449 G461 A462 R464	I324-G501 WeakPolarHBondContact O-CA 3.49Å; E325-G501 PolarHBondContact OE1-N 3.19Å; E325-G501 VanDerWaalsContact OE1-N 3.17Å; Y449-G501 PolarHBondContact OH-O 2.79Å; G461-G501 CarbonylContact C-O 3.55Å; G461-G501 WeakPolarHBondContact CA-O 3.23Å; A462-G501 PolarHBondContact N-O 3.39Å; A462-G501 PolarHBondContact O-N 3.44Å; R464-G501 PolarHBondContact NH2-O 3.08Å
502	G	96.5	Very high	96.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	163.1	178.1	0	0	0	0	0	111.6	K287 I324 S460	K287-G502 PolarHBondContact NZ-O 2.79Å; I324-G502 PolarHBondContact N-O 3.32Å; I324-G502 PolarHBondContact O-N 2.74Å; I324-G502 VanDerWaalsContact O-N 3.13Å; S460-G502 VanDerWaalsContact O-CA 3.29Å; S460-G502 WeakPolarHBondContact O-CA 3.05Å
503	G	95.2	Very high	96.4	Very high	25 Å²	25	28.6 Å²	28.6	26%	0.258	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.4	174	0	0	0	0	0	110.3	L459 S460	L459-G503 WeakPolarHBondContact CA-O 3.24Å; S460-G503 PolarHBondContact O-N 3.33Å
504	I	96	Very high	96.3	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.015	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.7	-176.2	-57.5	159.8	0	0	0	109.8	F239 G321 L322 M343 I458 L459 L506 V509	F239-I504 HydrophobicContact CD2-CD1 4.48Å; F239-I504 HydrophobicContact CE2-CD1 3.96Å; G321-I504 CarbonylContact C-O 3.58Å; G321-I504 WeakPolarHBondContact CA-O 3.29Å; L322-I504 HydrophobicContact CB-CB 4.15Å; L322-I504 PolarHBondContact N-O 2.89Å; L322-I504 WeakPolarHBondContact O-CB 3.36Å; L322-I504 PolarHBondContact O-N 3.27Å; M343-I504 HydrophobicContact SD-CD1 3.81Å; I458-I504 WeakPolarHBondContact O-CA 3.44Å; L459-I504 HydrophobicContact CB-CG1 4.12Å; L459-I504 HydrophobicContact CD1-CD1 4.22Å; L459-I504 HydrophobicContact CD1-CG1 3.66Å; L459-I504 HydrophobicContact CG-CG1 4.24Å; I504-L506 PolarHBondContact O-N 3.26Å; I504-V509 HydrophobicContact CG2-CG2 3.35Å
505	G	95.7	Very high	96.1	Very high	9 Å²	9	14.2 Å²	14.2	9%	0.093	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	108.7	170.4	0	0	0	0	0	112	I458 E507 R508 V509	I458-G505 PolarHBondContact O-N 3.01Å; G505-E507 VanDerWaalsContact C-N 3.32Å; G505-E507 PolarHBondContact O-N 3.34Å; G505-R508 PolarHBondContact O-N 3.06Å; G505-R508 VanDerWaalsContact O-N 3.11Å; G505-V509 PolarHBondContact O-N 2.96Å
506	L	96.9	Very high	96	Very high	5 Å²	5	11.3 Å²	11.3	3%	0.026	8%	0.075	C	C	.	.	H	α-helix	trans	-53.9	-47.7	-179.3	174.4	65	0	0	0	111.9	Q232 V235 C236 V320 L322 I504 R508 V509 C510	Q232-L506 HydrophobicContact CG-CD1 3.93Å; Q232-L506 HydrophobicContact CG-CD2 3.64Å; Q232-L506 HydrophobicContact CG-CG 3.79Å; V235-L506 HydrophobicContact CB-CD1 3.92Å; V235-L506 HydrophobicContact CG1-CD1 3.62Å; C236-L506 WeakPolarHBondContact SG-CD2 3.41Å; V320-L506 HydrophobicContact CB-CB 4.02Å; V320-L506 HydrophobicContact CB-CD2 3.76Å; V320-L506 HydrophobicContact CG1-CB 4.3Å; V320-L506 HydrophobicContact CG1-CD2 3.8Å; V320-L506 HydrophobicContact CG2-CD2 4.33Å; V320-L506 VanDerWaalsContact O-CB 3.24Å; V320-L506 WeakPolarHBondContact O-CB 3.21Å; V320-L506 PolarHBondContact O-N 3.11Å; L322-L506 HydrophobicContact CD1-CB 4.44Å; L322-L506 HydrophobicContact CD1-CD1 3.96Å; L322-L506 HydrophobicContact CD2-CB 4.19Å; L322-L506 HydrophobicContact CD2-CD1 4.22Å; L322-L506 HydrophobicContact CG-CB 4.15Å; L322-L506 HydrophobicContact CG-CD1 4.4Å; I504-L506 PolarHBondContact O-N 3.26Å; L506-R508 VanDerWaalsContact C-N 3.34Å; L506-R508 PolarHBondContact O-N 3.48Å; L506-V509 PolarHBondContact O-N 2.96Å; L506-C510 PolarHBondContact O-N 3.44Å; L506-C510 PolarHBondContact O-SG 2.85Å
507	E	96.7	Very high	95.6	Very high	9 Å²	9	17.6 Å²	17.6	4%	0.042	10%	0.101	C	C	.	.	H	α-helix	trans	-65.9	-35	-179.1	-64.5	91.4	150.4	0	0	112.3	L316 F319 V320 G505 M511 V519 T522	L316-E507 HydrophobicContact CD1-CG 4.4Å; F319-E507 WeakPolarHBondContact CA-OE1 3.29Å; V320-E507 PolarHBondContact N-OE1 2.99Å; V320-E507 VanDerWaalsContact N-OE1 3.12Å; V320-E507 PolarHBondContact N-OE2 3.47Å; G505-E507 VanDerWaalsContact C-N 3.32Å; G505-E507 PolarHBondContact O-N 3.34Å; E507-M511 WeakPolarHBondContact O-CB 3.26Å; E507-M511 PolarHBondContact O-N 3.42Å; E507-V519 HydrophobicContact CB-CG2 3.54Å; E507-T522 PolarHBondContact O-OG1 2.84Å
508	R	94.8	Very high	95.3	Very high	30 Å²	30	16.5 Å²	16.5	11%	0.113	9%	0.093	C	C	.	.	H	α-helix	trans	-68.4	-45.7	174.4	-77.5	-166.4	179.5	177	5.4	111.6	R314 H315 E457 I458 G505 L506 C510 M511 L512	R314-R508 PolarHBondContact O-NE 2.92Å; H315-R508 PolarHBondContact NE2-NH2 3.16Å; E457-R508 WeakPolarHBondContact O-CD 3.39Å; E457-R508 PolarHBondContact O-NH1 3.29Å; E457-R508 IonicContact OE1-NH1 3.65Å; E457-R508 IonicContact OE2-CZ 3.8Å; E457-R508 IonicContact OE2-NH1 2.81Å; E457-R508 PolarHBondContact OE2-NH1 3.21Å; I458-R508 HydrophobicContact CG2-CB 4.43Å; G505-R508 PolarHBondContact O-N 3.06Å; G505-R508 VanDerWaalsContact O-N 3.11Å; L506-R508 VanDerWaalsContact C-N 3.34Å; L506-R508 PolarHBondContact O-N 3.48Å; R508-C510 VanDerWaalsContact C-N 3.35Å; R508-C510 PolarHBondContact O-N 2.73Å; R508-M511 WeakPolarHBondContact O-CB 3.41Å; R508-M511 PolarHBondContact O-N 3.26Å; R508-L512 HydrophobicContact CB-CD1 4.48Å; R508-L512 WeakPolarHBondContact O-CB 3.15Å; R508-L512 WeakPolarHBondContact O-CG 3.3Å; R508-L512 PolarHBondContact O-N 2.97Å
509	V	96.6	Very high	95	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	8%	0.082	C	C	.	.	H	α-helix	trans	-59	-46.8	176	171.2	0	0	0	0	111	V235 M343 M453 I458 I504 G505 L506 M511 L512 Y513	V235-V509 HydrophobicContact CG1-CG1 4.35Å; M343-V509 HydrophobicContact CE-CG1 4.23Å; M343-V509 HydrophobicContact CE-CG2 4.11Å; M453-V509 HydrophobicContact CE-CG1 4.46Å; M453-V509 HydrophobicContact SD-CB 4.33Å; M453-V509 HydrophobicContact SD-CG1 4.09Å; M453-V509 HydrophobicContact SD-CG2 4.13Å; I458-V509 HydrophobicContact CB-CG2 4.14Å; I458-V509 HydrophobicContact CD1-CG2 4.02Å; I458-V509 HydrophobicContact CG2-CG2 4.29Å; I504-V509 HydrophobicContact CG2-CG2 3.35Å; G505-V509 PolarHBondContact O-N 2.96Å; L506-V509 PolarHBondContact O-N 2.96Å; V509-M511 VanDerWaalsContact C-N 3.32Å; V509-M511 PolarHBondContact O-N 3.05Å; V509-L512 PolarHBondContact O-N 3.23Å; V509-Y513 VanDerWaalsContact O-CB 3.25Å; V509-Y513 WeakPolarHBondContact O-CB 3.49Å; V509-Y513 PolarHBondContact O-N 2.63Å
510	C	96	Very high	94.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.7	-39	177.1	-62.6	0	0	0	0	112.1	L506 R508 L514 T522	L506-C510 PolarHBondContact O-N 3.44Å; L506-C510 PolarHBondContact O-SG 2.85Å; R508-C510 VanDerWaalsContact C-N 3.35Å; R508-C510 PolarHBondContact O-N 2.73Å; C510-L514 WeakPolarHBondContact O-CB 3.36Å; C510-L514 PolarHBondContact O-N 2.94Å; C510-T522 HydrophobicContact CB-CG2 3.91Å
511	M	95.7	Very high	94.3	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-64.6	-51.1	179.2	179.7	-175	78.9	0	0	110.8	E507 R508 V509 L514 G515 L516 V519 T522	E507-M511 WeakPolarHBondContact O-CB 3.26Å; E507-M511 PolarHBondContact O-N 3.42Å; R508-M511 WeakPolarHBondContact O-CB 3.41Å; R508-M511 PolarHBondContact O-N 3.26Å; V509-M511 VanDerWaalsContact C-N 3.32Å; V509-M511 PolarHBondContact O-N 3.05Å; M511-L514 PolarHBondContact O-N 2.97Å; M511-G515 PolarHBondContact O-N 2.9Å; M511-L516 HydrophobicContact CG-CB 3.97Å; M511-L516 VanDerWaalsContact CG-O 3.24Å; M511-L516 WeakPolarHBondContact CG-O 3.26Å; M511-L516 PolarHBondContact O-N 3.02Å; M511-V519 HydrophobicContact SD-CB 3.93Å; M511-V519 PolarHBondContact SD-N 3.22Å; M511-T522 HydrophobicContact CB-CG2 4.12Å
512	L	96.1	Very high	94.1	Very high	5 Å²	5	17 Å²	17	3%	0.026	9%	0.091	C	C	.	.	H	α-helix	trans	-77.7	-33.7	-171.6	-65.1	161.8	0	0	0	112.4	M453 R454 E456 I458 R508 V509 L514 G515	M453-L512 HydrophobicContact CB-CB 3.73Å; M453-L512 HydrophobicContact CB-CD1 4.06Å; M453-L512 HydrophobicContact CB-CG 4.48Å; M453-L512 HydrophobicContact CE-CB 4.47Å; R454-L512 WeakPolarHBondContact CD-O 3.38Å; R454-L512 PolarHBondContact NE-O 3.3Å; E456-L512 HydrophobicContact CB-CD1 3.81Å; E456-L512 HydrophobicContact CB-CD2 3.93Å; E456-L512 HydrophobicContact CG-CD2 3.95Å; I458-L512 HydrophobicContact CG2-CD1 3.48Å; I458-L512 VanDerWaalsContact CG2-CD1 3.48Å; R508-L512 HydrophobicContact CB-CD1 4.48Å; R508-L512 WeakPolarHBondContact O-CB 3.15Å; R508-L512 WeakPolarHBondContact O-CG 3.3Å; R508-L512 PolarHBondContact O-N 2.97Å; V509-L512 PolarHBondContact O-N 3.23Å; L512-L514 PolarHBondContact O-N 3.3Å; L512-G515 PolarHBondContact O-N 2.98Å
513	Y	96.4	Very high	94	Very high	19 Å²	19	17.4 Å²	17.4	8%	0.075	9%	0.094	C	C	.	.	H	α-helix	trans	-57.6	-49.3	170.8	-171.5	-100	0	0	0	111	L231 F347 L350 R351 I358 F370 M453 R454 V509 G515	L231-Y513 HydrophobicContact CD2-CD1 4.5Å; F347-Y513 HydrophobicContact CB-CE2 4.21Å; F347-Y513 AromaticContact CD1-CD2 3.8Å; F347-Y513 HydrophobicContact CD1-CD2 3.8Å; F347-Y513 AromaticContact CD1-CE2 3.89Å; F347-Y513 HydrophobicContact CD1-CE2 3.89Å; F347-Y513 HydrophobicContact CE1-CD2 4.29Å; F347-Y513 HydrophobicContact CG-CE2 4.38Å; F347-Y513 PolarHBondContact O-OH 2.97Å; L350-Y513 HydrophobicContact CB-CE1 3.92Å; L350-Y513 HydrophobicContact CB-CE2 4.4Å; L350-Y513 WeakPolarHBondContact CB-OH 3.39Å; L350-Y513 HydrophobicContact CD1-CD1 3.81Å; L350-Y513 HydrophobicContact CD1-CD2 4.11Å; L350-Y513 HydrophobicContact CD1-CE1 3.68Å; L350-Y513 HydrophobicContact CD1-CE2 3.98Å; L350-Y513 HydrophobicContact CD1-CG 4.02Å; L350-Y513 HydrophobicContact CG-CE1 4.47Å; R351-Y513 PolarHBondContact N-OH 2.81Å; I358-Y513 HydrophobicContact CD1-CE1 3.9Å; I358-Y513 HydrophobicContact CG1-CE1 4.33Å; F370-Y513 HydrophobicContact CB-CD2 3.86Å; F370-Y513 HydrophobicContact CB-CE2 3.91Å; F370-Y513 AromaticContact CD1-CD2 3.9Å; F370-Y513 HydrophobicContact CD1-CD2 3.9Å; F370-Y513 HydrophobicContact CD1-CE2 4.06Å; F370-Y513 HydrophobicContact CD2-CD2 4.45Å; F370-Y513 AromaticContact CG-CD2 3.81Å; F370-Y513 HydrophobicContact CG-CD2 3.81Å; F370-Y513 HydrophobicContact CG-CE2 4.16Å; M453-Y513 HydrophobicContact CE-CD2 4.26Å; R454-Y513 PolarHBondContact NH2-O 2.76Å; V509-Y513 VanDerWaalsContact O-CB 3.25Å; V509-Y513 WeakPolarHBondContact O-CB 3.49Å; V509-Y513 PolarHBondContact O-N 2.63Å; Y513-G515 VanDerWaalsContact C-N 3.32Å; Y513-G515 PolarHBondContact O-N 2.83Å
514	L	93.6	Very high	93.9	Very high	10 Å²	10	20 Å²	20	5%	0.052	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.1	-179.9	-69.2	173.1	0	0	0	114.6	I228 L231 V361 C510 M511 L512 L516	I228-L514 HydrophobicContact CG1-CD1 3.83Å; L231-L514 HydrophobicContact CD1-CD1 4.26Å; L231-L514 HydrophobicContact CD1-CD2 3.89Å; L231-L514 HydrophobicContact CD1-CG 4.3Å; L231-L514 HydrophobicContact CD2-CD1 4.24Å; L231-L514 HydrophobicContact CD2-CG 4.49Å; V361-L514 HydrophobicContact CB-CD2 4.15Å; V361-L514 HydrophobicContact CG1-CB 4.35Å; V361-L514 HydrophobicContact CG1-CD1 4.27Å; V361-L514 HydrophobicContact CG1-CD2 4.08Å; V361-L514 HydrophobicContact CG1-CG 4.48Å; V361-L514 HydrophobicContact CG2-CD1 4.19Å; V361-L514 HydrophobicContact CG2-CD2 4.3Å; C510-L514 WeakPolarHBondContact O-CB 3.36Å; C510-L514 PolarHBondContact O-N 2.94Å; M511-L514 PolarHBondContact O-N 2.97Å; L512-L514 PolarHBondContact O-N 3.3Å; L514-L516 VanDerWaalsContact C-N 3.28Å; L514-L516 HydrophobicContact CB-CD1 3.96Å; L514-L516 HydrophobicContact CB-CG 3.85Å; L514-L516 HydrophobicContact CD1-CD1 4.06Å; L514-L516 PolarHBondContact O-N 2.83Å
515	G	92.4	Very high	93.8	Very high	15 Å²	15	23.8 Å²	23.8	16%	0.155	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	20.2	-178.8	0	0	0	0	0	115.1	M511 L512 Y513 H517	M511-G515 PolarHBondContact O-N 2.9Å; L512-G515 PolarHBondContact O-N 2.98Å; Y513-G515 VanDerWaalsContact C-N 3.32Å; Y513-G515 PolarHBondContact O-N 2.83Å; G515-H517 PolarHBondContact O-CE1 3.3Å; G515-H517 PolarHBondContact O-ND1 2.68Å
516	L	91	Very high	93.7	Very high	7 Å²	7	23.6 Å²	23.6	4%	0.037	12%	0.115	C	C	.	.			trans	-71.3	154.6	-179.5	-61.9	171.6	0	0	0	111.5	I228 V361 F365 M511 L514 Q521 T522	I228-L516 HydrophobicContact CD1-CD1 3.66Å; I228-L516 HydrophobicContact CG1-CD1 4.01Å; V361-L516 HydrophobicContact CG1-CD2 4.24Å; F365-L516 HydrophobicContact CB-CD2 3.79Å; F365-L516 HydrophobicContact CD1-CD2 4.42Å; F365-L516 HydrophobicContact CD2-CD2 3.43Å; F365-L516 VanDerWaalsContact CD2-CD2 3.43Å; F365-L516 HydrophobicContact CE2-CD2 4.12Å; F365-L516 HydrophobicContact CG-CD2 3.61Å; M511-L516 HydrophobicContact CG-CB 3.97Å; M511-L516 VanDerWaalsContact CG-O 3.24Å; M511-L516 WeakPolarHBondContact CG-O 3.26Å; M511-L516 PolarHBondContact O-N 3.02Å; L514-L516 VanDerWaalsContact C-N 3.28Å; L514-L516 HydrophobicContact CB-CD1 3.96Å; L514-L516 HydrophobicContact CB-CG 3.85Å; L514-L516 HydrophobicContact CD1-CD1 4.06Å; L514-L516 PolarHBondContact O-N 2.83Å; L516-Q521 HydrophobicContact CD1-CB 4.43Å; L516-T522 HydrophobicContact CD1-CG2 3.58Å
517	H	88.4	Confident	93.6	Very high	146 Å²	146	25.9 Å²	25.9	68%	0.676	12%	0.123	S	C	*	.	S	Bend	trans	-100.9	-14.5	-167.8	-55.3	-27.4	0	0	0	114.6	H313 G515 Q521	H313-H517 PolarHBondContact CD2-O 3.46Å; G515-H517 PolarHBondContact O-CE1 3.3Å; G515-H517 PolarHBondContact O-ND1 2.68Å; H517-Q521 VanDerWaalsContact N-OE1 3.17Å
518	N	90	Very high	93.4	Very high	21 Å²	21	26 Å²	26	11%	0.112	12%	0.124	C	C	.	.			trans	-142.3	127.2	179.8	-172.1	-22	0	0	0	111.4	Q206 H313 R520 Q521	Q206-N518 PolarHBondContact NE2-ND2 2.9Å; Q206-N518 PolarHBondContact OE1-ND2 3.4Å; H313-N518 HydrophobicContact CB-CB 4.22Å; H313-N518 WeakPolarHBondContact O-CA 3.45Å; H313-N518 PolarHBondContact O-OD1 3.42Å; N518-R520 PolarHBondContact O-N 3.46Å; N518-R520 WeakPolarHBondContact OD1-CB 3.32Å; N518-R520 WeakPolarHBondContact OD1-CG 3.42Å; N518-R520 PolarHBondContact OD1-N 2.81Å; N518-R520 VanDerWaalsContact OD1-N 3.1Å; N518-R520 PolarHBondContact OD1-NH1 3.3Å; N518-Q521 HydrophobicContact CB-CG 4.44Å; N518-Q521 VanDerWaalsContact O-CB 3.23Å; N518-Q521 WeakPolarHBondContact O-CB 3.33Å; N518-Q521 WeakPolarHBondContact O-CG 3.4Å; N518-Q521 PolarHBondContact O-N 3.29Å; N518-Q521 PolarHBondContact O-OE1 2.94Å
519	V	92.3	Very high	93.1	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.024	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-58.7	-22.1	-178.5	71.9	0	0	0	0	113.2	H313 L316 E507 M511 Q521 T522 S523	H313-V519 WeakPolarHBondContact O-CG1 3.28Å; H313-V519 PolarHBondContact O-N 2.83Å; L316-V519 HydrophobicContact CD1-CG1 4.12Å; L316-V519 HydrophobicContact CD1-CG2 3.93Å; L316-V519 HydrophobicContact CD2-CG1 3.93Å; L316-V519 HydrophobicContact CG-CG1 3.7Å; L316-V519 HydrophobicContact CG-CG2 4.35Å; E507-V519 HydrophobicContact CB-CG2 3.54Å; M511-V519 HydrophobicContact SD-CB 3.93Å; M511-V519 PolarHBondContact SD-N 3.22Å; V519-Q521 PolarHBondContact O-N 2.95Å; V519-T522 CarbonylContact O-C 3.59Å; V519-T522 PolarHBondContact O-N 2.8Å; V519-T522 VanDerWaalsContact O-N 3.08Å; V519-T522 PolarHBondContact O-OG1 3.25Å; V519-T522 VanDerWaalsContact O-OG1 3.08Å; V519-S523 PolarHBondContact O-N 3.04Å
520	R	91.5	Very high	92.8	Very high	15 Å²	15	34.9 Å²	34.9	6%	0.057	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-66.4	-16.9	171.7	-63.6	175.7	-176.1	71	-3.1	113.8	L210 R213 N311 T312 L316 N518 P526 D528	L210-R520 HydrophobicContact CD1-CB 4.13Å; R213-R520 PolarHBondContact NH2-O 2.9Å; R213-R520 VanDerWaalsContact NH2-O 3.16Å; N311-R520 PolarHBondContact OD1-NH2 2.93Å; T312-R520 PolarHBondContact O-NH1 3.44Å; L316-R520 HydrophobicContact CD2-CG 4.08Å; N518-R520 PolarHBondContact O-N 3.46Å; N518-R520 WeakPolarHBondContact OD1-CB 3.32Å; N518-R520 WeakPolarHBondContact OD1-CG 3.42Å; N518-R520 PolarHBondContact OD1-N 2.81Å; N518-R520 VanDerWaalsContact OD1-N 3.1Å; N518-R520 PolarHBondContact OD1-NH1 3.3Å; R520-P526 HydrophobicContact CB-CB 4.08Å; R520-P526 HydrophobicContact CB-CG 4.09Å; R520-P526 HydrophobicContact CG-CB 3.82Å; R520-P526 HydrophobicContact CG-CG 4.21Å; R520-D528 IonicContact CZ-OD2 2.63Å; R520-D528 IonicContact NE-OD2 3.61Å; R520-D528 PolarHBondContact NE-OD2 3.37Å; R520-D528 IonicContact NH2-OD2 2.61Å; R520-D528 PolarHBondContact NH2-OD2 3.39Å
521	Q	90.3	Very high	92.5	Very high	32 Å²	32	36 Å²	36	15%	0.15	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-70.4	-38.1	171	-61.9	173.6	-78.4	0	0	110.2	R213 F365 L516 H517 N518 V519	R213-Q521 PolarHBondContact NH2-O 2.97Å; F365-Q521 VanDerWaalsContact CZ-NE2 3.33Å; L516-Q521 HydrophobicContact CD1-CB 4.43Å; H517-Q521 VanDerWaalsContact N-OE1 3.17Å; N518-Q521 HydrophobicContact CB-CG 4.44Å; N518-Q521 VanDerWaalsContact O-CB 3.23Å; N518-Q521 WeakPolarHBondContact O-CB 3.33Å; N518-Q521 WeakPolarHBondContact O-CG 3.4Å; N518-Q521 PolarHBondContact O-N 3.29Å; N518-Q521 PolarHBondContact O-OE1 2.94Å; V519-Q521 PolarHBondContact O-N 2.95Å
522	T	93.4	Very high	92.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-7.2	-176.2	54.7	0	0	0	0	115.1	I228 F229 Q232 E507 C510 M511 L516 V519	I228-T522 HydrophobicContact CG2-CG2 3.91Å; F229-T522 WeakPolarHBondContact CE1-O 3.38Å; Q232-T522 PolarHBondContact NE2-O 3.32Å; E507-T522 PolarHBondContact O-OG1 2.84Å; C510-T522 HydrophobicContact CB-CG2 3.91Å; M511-T522 HydrophobicContact CB-CG2 4.12Å; L516-T522 HydrophobicContact CD1-CG2 3.58Å; V519-T522 CarbonylContact O-C 3.59Å; V519-T522 PolarHBondContact O-N 2.8Å; V519-T522 VanDerWaalsContact O-N 3.08Å; V519-T522 PolarHBondContact O-OG1 3.25Å; V519-T522 VanDerWaalsContact O-OG1 3.08Å
523	S	94.8	Very high	91.8	Very high	9 Å²	9	46.8 Å²	46.8	6%	0.063	23%	0.234	C	C	.	.	S	Bend	trans	-90.5	131	164.3	-173.4	0	0	0	0	110.7	R213 V519	R213-S523 PolarHBondContact NH2-O 3.38Å; V519-S523 PolarHBondContact O-N 3.04Å
524	M	92.9	Very high	90.3	Very high	79 Å²	79	49.6 Å²	49.6	39%	0.389	25%	0.254	S	S	.	.	S	Bend	trans	-68.1	-42.8	-173.3	-165	178.4	-72.1	0	0	112.5	R213 L217 F229	R213-M524 VanDerWaalsContact CG-O 3.28Å; R213-M524 WeakPolarHBondContact CG-O 3.49Å; R213-M524 PolarHBondContact NE-O 3.41Å; L217-M524 HydrophobicContact CD1-CG 3.95Å; L217-M524 HydrophobicContact CD1-SD 4.45Å; L217-M524 HydrophobicContact CD2-CG 4.26Å; F229-M524 HydrophobicContact CB-CE 3.8Å; F229-M524 HydrophobicContact CD1-CB 4.07Å; F229-M524 HydrophobicContact CD1-CE 3.66Å; F229-M524 HydrophobicContact CD1-CG 4.36Å; F229-M524 HydrophobicContact CD2-CE 4.23Å; F229-M524 HydrophobicContact CE1-CB 3.67Å; F229-M524 HydrophobicContact CE1-CE 4.42Å; F229-M524 HydrophobicContact CE1-CG 4.24Å; F229-M524 HydrophobicContact CE2-CG 4.42Å; F229-M524 HydrophobicContact CG-CE 3.59Å; F229-M524 VanDerWaalsContact CZ-CA 3.47Å; F229-M524 HydrophobicContact CZ-CB 4.01Å; F229-M524 HydrophobicContact CZ-CG 4.31Å
525	F	95	Very high	90.2	Very high	82 Å²	82	51.6 Å²	51.6	36%	0.36	26%	0.264	S	S	.	.	S	Bend	trans	-132.1	77.7	176.2	-66.2	-80.4	0	0	0	108.7	R213 V214 L217 R527 P534	R213-F525 HydrophobicContact CB-CD1 4.42Å; R213-F525 HydrophobicContact CB-CE1 4.23Å; R213-F525 HydrophobicContact CG-CD1 4.14Å; R213-F525 HydrophobicContact CG-CE1 4.04Å; V214-F525 HydrophobicContact CG2-CE1 4.46Å; L217-F525 HydrophobicContact CD1-CZ 4.07Å; F525-R527 PolarHBondContact O-N 2.91Å; F525-P534 HydrophobicContact CD1-CG 4.24Å
526	P	93.5	Very high	90.1	Very high	6 Å²	6	53.5 Å²	53.5	4%	0.039	27%	0.27	C	S	.	.			trans	-62.5	134.8	-166.2	21.7	-31.7	0	0	0	112.7	L210 L316 R520 R531	L210-P526 HydrophobicContact CD1-CG 3.96Å; L210-P526 HydrophobicContact CD2-CG 3.66Å; L210-P526 HydrophobicContact CG-CG 4.38Å; L316-P526 HydrophobicContact CD2-CB 3.97Å; R520-P526 HydrophobicContact CB-CB 4.08Å; R520-P526 HydrophobicContact CB-CG 4.09Å; R520-P526 HydrophobicContact CG-CB 3.82Å; R520-P526 HydrophobicContact CG-CG 4.21Å; P526-R531 WeakPolarHBondContact O-CD 3.44Å; P526-R531 WeakPolarHBondContact O-CG 3.5Å
527	R	94.2	Very high	90	Very high	53 Å²	53	56.1 Å²	56.1	20%	0.2	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-108.4	127.2	173.5	-58.1	-69.9	153.3	159.7	-17.5	109.1	L316 T317 E318 F525 L532 P534	L316-R527 CarbonylContact C-O 3.56Å; L316-R527 WeakPolarHBondContact CA-O 3.35Å; L316-R527 WeakPolarHBondContact CB-O 3.41Å; L316-R527 WeakPolarHBondContact CD2-O 3.41Å; T317-R527 PolarHBondContact N-O 3.17Å; T317-R527 PolarHBondContact OG1-O 3.16Å; E318-R527 HydrophobicContact CB-CB 3.91Å; E318-R527 HydrophobicContact CB-CG 4.1Å; F525-R527 PolarHBondContact O-N 2.91Å; R527-L532 PolarHBondContact NH1-O 2.98Å; R527-P534 PolarHBondContact NH2-O 2.68Å; R527-P534 PolarHBondContact NH2-OXT 2.66Å
528	D	92.3	Very high	90.1	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.064	26%	0.26	C	S	.	.			trans	-146.2	177.1	176.8	72.8	41.8	0	0	0	109.5	T317 R520 K530 R531	T317-D528 WeakPolarHBondContact OG1-CA 3.31Å; T317-D528 PolarHBondContact OG1-N 3.39Å; R520-D528 IonicContact CZ-OD2 2.63Å; R520-D528 IonicContact NE-OD2 3.61Å; R520-D528 PolarHBondContact NE-OD2 3.37Å; R520-D528 IonicContact NH2-OD2 2.61Å; R520-D528 PolarHBondContact NH2-OD2 3.39Å; D528-K530 PolarHBondContact O-N 3.28Å; D528-K530 WeakPolarHBondContact OD1-CA 3.37Å; D528-K530 WeakPolarHBondContact OD1-CB 3.31Å; D528-K530 PolarHBondContact OD1-N 3.24Å; D528-R531 PolarHBondContact N-O 3.22Å; D528-R531 PolarHBondContact O-N 2.66Å; D528-R531 WeakPolarHBondContact OD1-CB 3.48Å; D528-R531 PolarHBondContact OD1-N 3.05Å
529	P	89.3	Confident	90.1	Very high	54 Å²	54	52.7 Å²	52.7	35%	0.351	27%	0.269	S	S	.	.	S	Bend	trans	-60.9	-15.3	-176.5	-25	35.8	0	0	0	115.5	D309 T317	D309-P529 WeakPolarHBondContact OD1-CB 3.38Å; D309-P529 WeakPolarHBondContact OD1-CG 3.37Å; T317-P529 HydrophobicContact CG2-CG 4.02Å
530	K	89.8	Confident	90	Very high	163 Å²	163	55.9 Å²	55.9	71%	0.709	29%	0.286	S	S	*	.	S	Bend	trans	-109.8	-23.9	179.2	-64.4	172.7	-179.3	168.6	0	112.7	N311 D528	N311-K530 PolarHBondContact ND2-NZ 3.27Å; D528-K530 PolarHBondContact O-N 3.28Å; D528-K530 WeakPolarHBondContact OD1-CA 3.37Å; D528-K530 WeakPolarHBondContact OD1-CB 3.31Å; D528-K530 PolarHBondContact OD1-N 3.24Å
531	R	89.8	Confident	89.9	Confident	22 Å²	22	58.9 Å²	58.9	8%	0.083	30%	0.302	C	S	.	.			trans	-110.5	101.7	-171.3	-170.7	166.6	-74	-76.7	3.1	112.4	D207 D211 P526 D528 T533	D207-R531 IonicContact OD1-CZ 2.71Å; D207-R531 IonicContact OD1-NE 2.68Å; D207-R531 IonicContact OD1-NH2 3.52Å; D207-R531 PolarHBondContact OD1-NH2 3.09Å; D211-R531 IonicContact OD1-CZ 3.42Å; D211-R531 VanDerWaalsContact OD1-CZ 3.22Å; D211-R531 IonicContact OD1-NH1 3.73Å; D211-R531 PolarHBondContact OD1-NH1 3.47Å; D211-R531 IonicContact OD1-NH2 3.67Å; D211-R531 PolarHBondContact OD1-NH2 2.63Å; P526-R531 WeakPolarHBondContact O-CD 3.44Å; P526-R531 WeakPolarHBondContact O-CG 3.5Å; D528-R531 PolarHBondContact N-O 3.22Å; D528-R531 PolarHBondContact O-N 2.66Å; D528-R531 WeakPolarHBondContact OD1-CB 3.48Å; D528-R531 PolarHBondContact OD1-N 3.05Å; R531-T533 VanDerWaalsContact CG-O 3.27Å; R531-T533 WeakPolarHBondContact CG-O 3.42Å; R531-T533 PolarHBondContact NH1-O 3.21Å; R531-T533 VanDerWaalsContact NH1-O 3.09Å
532	L	90.6	Very high	89.8	Confident	135 Å²	135	60.9 Å²	60.9	71%	0.707	31%	0.314	S	S	*	.			trans	-109.9	2.8	171.2	-161	65.3	0	0	0	112.8	R527	R527-L532 PolarHBondContact NH1-O 2.98Å
533	T	85.9	Confident	89.5	Confident	99 Å²	99	66 Å²	66	61%	0.607	34%	0.34	S	S	*	.			trans	-144.6	154.8	178.8	51.6	0	0	0	0	111.7	R531	R531-T533 VanDerWaalsContact CG-O 3.27Å; R531-T533 WeakPolarHBondContact CG-O 3.42Å; R531-T533 PolarHBondContact NH1-O 3.21Å; R531-T533 VanDerWaalsContact NH1-O 3.09Å
534	P	66.6	Low	89.1	Confident	78 Å²	78	71.2 Å²	71.2	51%	0.506	37%	0.365	S	S	.	.			cis	-63.2	0	-12.1	27.4	-33.8	0	0	0	112.5	L210 R213 F525 R527	L210-P534 VanDerWaalsContact O-CD 3.25Å; L210-P534 WeakPolarHBondContact O-CD 3.25Å; R213-P534 HydrophobicContact CB-CG 4.13Å; F525-P534 HydrophobicContact CD1-CG 4.24Å; R527-P534 PolarHBondContact NH2-O 2.68Å; R527-P534 PolarHBondContact NH2-OXT 2.66Å

Retrieved 534 of 534 residues in 218.4 ms (Link to these results)

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