A0A087YNE9_POEFO Loading...

Kelch-like family member 32

AlphaFold DB , UniProt , Accession A0A087YNE9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 619 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	40.9	Very low	238 Å²	238	144.4 Å²	144.4	100%	1.172	81%	0.809	S	S	*	*				0	93.2	0	-69.7	-77	-169.7	0	0	107.6
2	P	33	Very low	41.9	Very low	130 Å²	130	146.8 Å²	146.8	84%	0.844	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-80	128.5	169.1	5.3	14	0	0	0	108.8
3	S	35	Very low	43.4	Very low	118 Å²	118	143.7 Å²	143.7	83%	0.825	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71	122.2	176	51.1	0	0	0	0	111.5
4	E	34.3	Very low	44.9	Very low	179 Å²	179	138.9 Å²	138.9	84%	0.836	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-64.8	141	167.4	-68.5	-177.7	152.7	0	0	111.3
5	P	43.7	Very low	46.1	Very low	128 Å²	128	140.3 Å²	140.3	83%	0.831	80%	0.8	S	S	*	*			trans	-86.6	115.7	169.5	31.5	-27.3	0	0	0	111.3
6	G	37	Very low	47.9	Very low	68 Å²	68	143.6 Å²	143.6	70%	0.701	80%	0.796	S	S	*	*				68.4	58.8	128	0	0	0	0	0	119.4	S8	G6-S8 VanDerWaalsContact C-N 3.31Å; G6-S8 PolarHBondContact O-N 3.17Å; G6-S8 VanDerWaalsContact O-N 3.1Å
7	L	42.3	Very low	49.4	Very low	146 Å²	146	144.3 Å²	144.3	76%	0.764	80%	0.797	S	S	*	*			trans	-74.9	80.2	156.2	-95.3	150.6	0	0	0	110
8	S	48.4	Very low	51.4	Low	102 Å²	102	143 Å²	143	71%	0.713	80%	0.798	S	S	*	*			trans	-150.9	59.5	173.9	60.4	0	0	0	0	114.4	G6	G6-S8 VanDerWaalsContact C-N 3.31Å; G6-S8 PolarHBondContact O-N 3.17Å; G6-S8 VanDerWaalsContact O-N 3.1Å
9	K	46	Very low	53.1	Low	203 Å²	203	145.3 Å²	145.3	88%	0.883	79%	0.794	S	S	*	*	S	Bend	trans	-156.3	-9.7	155	-110.4	168.2	-173.1	-176.5	0	115.9
10	E	47.3	Very low	54.8	Low	109 Å²	109	141.8 Å²	141.8	51%	0.509	78%	0.781	S	S	.	*	G	3₁₀ helix	trans	-86.1	-4.1	-177.6	-67.5	-173.2	160.2	0	0	115.7	L12	E10-L12 PolarHBondContact O-N 2.99Å; E10-L12 VanDerWaalsContact O-N 3.09Å
11	M	50.2	Low	56.4	Low	167 Å²	167	143.5 Å²	143.5	82%	0.823	78%	0.781	S	S	*	*	G	3₁₀ helix	trans	-73.2	-0.1	-174.1	-77.4	-168.5	67.4	0	0	115.6
12	L	52.9	Low	59.1	Low	173 Å²	173	135.4 Å²	135.4	91%	0.906	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-100.9	-4.1	-178.9	-80.6	152	0	0	0	114.4	E10	E10-L12 PolarHBondContact O-N 2.99Å; E10-L12 VanDerWaalsContact O-N 3.09Å
13	T	61.3	Low	61.9	Low	107 Å²	107	134.8 Å²	134.8	66%	0.656	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	-10.5	-179.8	57.1	0	0	0	0	114.9	Q15	T13-Q15 PolarHBondContact O-N 2.83Å
14	G	64.3	Low	64.4	Low	77 Å²	77	136.5 Å²	136.5	79%	0.794	73%	0.728	S	S	*	*			trans	71.3	1.5	176.6	0	0	0	0	0	115.9
15	Q	63.2	Low	67	Low	159 Å²	159	133.3 Å²	133.3	74%	0.743	72%	0.717	S	S	*	*			trans	-99.3	130.1	174.9	-66.7	-178.7	-12.6	0	0	109.7	T13	T13-Q15 PolarHBondContact O-N 2.83Å
16	R	75.3	Confident	69.2	Low	194 Å²	194	130.5 Å²	130.5	73%	0.732	70%	0.7	S	S	*	*			trans	-120	124.6	172	-72.9	-176.1	179.9	179.1	-0.4	109.2	C18	R16-C18 PolarHBondContact O-N 3.48Å
17	L	73.7	Confident	71.9	Confident	155 Å²	155	130.3 Å²	130.3	81%	0.812	69%	0.685	S	S	*	*			trans	-84.8	109.9	174.5	-164.2	79.2	0	0	0	109.1
18	C	84.8	Confident	74.3	Confident	121 Å²	121	125.8 Å²	125.8	82%	0.818	66%	0.662	S	S	*	*			trans	-100	129.3	175.3	-62.7	0	0	0	0	109.8	R16	R16-C18 PolarHBondContact O-N 3.48Å
19	Y	84.4	Confident	76.4	Confident	186 Å²	186	124.8 Å²	124.8	73%	0.729	65%	0.654	S	S	*	*			trans	-116.5	137.4	177.9	54	-88.1	0	0	0	111.1	K21	Y19-K21 HydrophobicContact CD2-CG 4.41Å; Y19-K21 HydrophobicContact CE2-CG 4.46Å
20	S	87.1	Confident	78.6	Confident	76 Å²	76	117.4 Å²	117.4	53%	0.531	63%	0.631	S	S	.	*			trans	-97.8	122.7	172.2	176.8	0	0	0	0	109.8	S22 H23	S20-S22 VanDerWaalsContact C-N 3.33Å; S20-S22 PolarHBondContact O-N 3.38Å; S20-H23 PolarHBondContact OG-N 3.4Å
21	K	87.4	Confident	80.9	Confident	178 Å²	178	114.4 Å²	114.4	77%	0.774	62%	0.619	S	S	*	*	S	Bend	trans	-71.9	-23.9	-180	-65.9	-174.5	179.3	-177.9	0	113.7	Y19	Y19-K21 HydrophobicContact CD2-CG 4.41Å; Y19-K21 HydrophobicContact CE2-CG 4.46Å
22	S	90	Very high	83	Confident	67 Å²	67	107.2 Å²	107.2	47%	0.469	58%	0.583	S	S	.	*	S	Bend	trans	-104.6	-6.4	-173.9	59.4	0	0	0	0	114.2	S20 Q24 S26	S20-S22 VanDerWaalsContact C-N 3.33Å; S20-S22 PolarHBondContact O-N 3.38Å; S22-Q24 PolarHBondContact O-N 3.2Å; S22-S26 WeakPolarHBondContact O-CB 3.47Å; S22-S26 PolarHBondContact O-N 3.3Å; S22-S26 PolarHBondContact O-OG 3.4Å
23	H	91	Very high	85	Confident	117 Å²	117	103.6 Å²	103.6	54%	0.542	56%	0.562	S	S	.	*	H	α-helix	trans	-64.5	-44.1	-172.9	-177.9	56.9	0	0	0	112	S20 S26 V27	S20-H23 PolarHBondContact OG-N 3.4Å; H23-S26 PolarHBondContact O-N 3.35Å; H23-V27 VanDerWaalsContact O-CG2 3.3Å; H23-V27 WeakPolarHBondContact O-CG2 3.29Å; H23-V27 PolarHBondContact O-N 2.86Å
24	Q	87.6	Confident	86.7	Confident	155 Å²	155	101.2 Å²	101.2	72%	0.724	54%	0.543	S	S	*	.	H	α-helix	trans	-59.4	-51.2	179.2	-67.2	174.8	-14.6	0	0	111.3	S22 S26 V27 L28	S22-Q24 PolarHBondContact O-N 3.2Å; Q24-S26 VanDerWaalsContact C-N 3.33Å; Q24-S26 PolarHBondContact O-N 2.72Å; Q24-V27 PolarHBondContact O-N 3.04Å; Q24-L28 PolarHBondContact O-N 2.8Å
25	D	88.3	Confident	88.1	Confident	111 Å²	111	98.7 Å²	98.7	59%	0.594	51%	0.51	S	S	*	.	H	α-helix	trans	-61.1	-40.7	178.5	-59.5	-26.1	0	0	0	112.4	L28 S29	D25-L28 PolarHBondContact O-N 3.38Å; D25-S29 WeakPolarHBondContact O-CB 3.38Å; D25-S29 PolarHBondContact O-N 3.33Å
26	S	91.1	Very high	89.5	Confident	69 Å²	69	97.6 Å²	97.6	48%	0.483	50%	0.503	S	S	.	.	H	α-helix	trans	-66.3	-41.1	-179.8	-57.7	0	0	0	0	111.7	S22 H23 Q24 A30	S22-S26 WeakPolarHBondContact O-CB 3.47Å; S22-S26 PolarHBondContact O-N 3.3Å; S22-S26 PolarHBondContact O-OG 3.4Å; H23-S26 PolarHBondContact O-N 3.35Å; Q24-S26 VanDerWaalsContact C-N 3.33Å; Q24-S26 PolarHBondContact O-N 2.72Å; S26-A30 WeakPolarHBondContact O-CB 3.1Å; S26-A30 PolarHBondContact O-N 3.24Å
27	V	93	Very high	90.4	Very high	65 Å²	65	92.8 Å²	92.8	39%	0.394	49%	0.491	S	S	.	.	H	α-helix	trans	-65.7	-47.8	176.7	170.3	0	0	0	0	110.4	H23 Q24 S29 A30 L31	H23-V27 VanDerWaalsContact O-CG2 3.3Å; H23-V27 WeakPolarHBondContact O-CG2 3.29Å; H23-V27 PolarHBondContact O-N 2.86Å; Q24-V27 PolarHBondContact O-N 3.04Å; V27-S29 VanDerWaalsContact C-N 3.35Å; V27-S29 PolarHBondContact O-N 2.83Å; V27-A30 PolarHBondContact O-N 2.77Å; V27-L31 HydrophobicContact CG1-CD1 3.97Å; V27-L31 HydrophobicContact CG1-CG 4.49Å; V27-L31 WeakPolarHBondContact O-CG 3.49Å; V27-L31 PolarHBondContact O-N 2.71Å
28	L	92.2	Very high	91.2	Very high	51 Å²	51	87.4 Å²	87.4	27%	0.267	47%	0.474	S	S	.	.	H	α-helix	trans	-65.4	-39.9	-178.6	-159.9	71	0	0	0	111.7	Q24 D25 L31 N32 Y100	Q24-L28 PolarHBondContact O-N 2.8Å; D25-L28 PolarHBondContact O-N 3.38Å; L28-L31 PolarHBondContact O-N 3.24Å; L28-N32 WeakPolarHBondContact O-CB 3.22Å; L28-N32 PolarHBondContact O-N 3.4Å; L28-Y100 WeakPolarHBondContact CG-O 3.43Å
29	S	92.9	Very high	91.6	Very high	80 Å²	80	86.7 Å²	86.7	56%	0.559	46%	0.458	S	S	*	.	H	α-helix	trans	-60.3	-44.6	173	-177.8	0	0	0	0	112.3	D25 V27 N32 Q33	D25-S29 WeakPolarHBondContact O-CB 3.38Å; D25-S29 PolarHBondContact O-N 3.33Å; V27-S29 VanDerWaalsContact C-N 3.35Å; V27-S29 PolarHBondContact O-N 2.83Å; S29-N32 PolarHBondContact O-N 3.41Å; S29-Q33 PolarHBondContact O-N 3.33Å
30	A	93.8	Very high	91.9	Very high	48 Å²	48	84.3 Å²	84.3	40%	0.397	46%	0.457	S	S	.	.	H	α-helix	trans	-63.6	-42.5	176.1	0	0	0	0	0	112.2	S26 V27 N32 Q33 Q34	S26-A30 WeakPolarHBondContact O-CB 3.1Å; S26-A30 PolarHBondContact O-N 3.24Å; V27-A30 PolarHBondContact O-N 2.77Å; A30-N32 VanDerWaalsContact C-N 3.3Å; A30-N32 PolarHBondContact O-N 2.92Å; A30-Q33 PolarHBondContact O-N 2.92Å; A30-Q34 WeakPolarHBondContact O-CG 3.49Å; A30-Q34 PolarHBondContact O-N 3.05Å
31	L	95	Very high	92.2	Very high	47 Å²	47	82.3 Å²	82.3	25%	0.246	44%	0.443	C	S	.	.	H	α-helix	trans	-62.6	-37	174.8	-72.4	168.9	0	0	0	112	V27 L28 Q34 R35 H55 V58 Y100	V27-L31 HydrophobicContact CG1-CD1 3.97Å; V27-L31 HydrophobicContact CG1-CG 4.49Å; V27-L31 WeakPolarHBondContact O-CG 3.49Å; V27-L31 PolarHBondContact O-N 2.71Å; L28-L31 PolarHBondContact O-N 3.24Å; L31-Q34 PolarHBondContact O-N 3.36Å; L31-R35 PolarHBondContact O-N 3.15Å; L31-H55 PolarHBondContact O-CE1 3.43Å; L31-V58 HydrophobicContact CD1-CG2 4.07Å; L31-Y100 HydrophobicContact CB-CD1 4.18Å; L31-Y100 HydrophobicContact CB-CE1 4.15Å; L31-Y100 WeakPolarHBondContact O-CE1 3.47Å
32	N	94.8	Very high	92.5	Very high	15 Å²	15	77.2 Å²	77.2	8%	0.08	42%	0.424	C	S	.	.	H	α-helix	trans	-68.2	-38.8	176.2	-166.1	16.1	0	0	0	111.8	L28 S29 A30 R35 K36 Y100 T101	L28-N32 WeakPolarHBondContact O-CB 3.22Å; L28-N32 PolarHBondContact O-N 3.4Å; S29-N32 PolarHBondContact O-N 3.41Å; A30-N32 VanDerWaalsContact C-N 3.3Å; A30-N32 PolarHBondContact O-N 2.92Å; N32-R35 WeakPolarHBondContact O-CB 3.3Å; N32-R35 PolarHBondContact O-N 2.85Å; N32-R35 PolarHBondContact OD1-NE 3.43Å; N32-R35 PolarHBondContact OD1-NH2 3.49Å; N32-K36 WeakPolarHBondContact O-CG 3.26Å; N32-K36 PolarHBondContact O-N 2.8Å; N32-Y100 HydrophobicContact CB-CD1 4.1Å; N32-Y100 HydrophobicContact CB-CG 4.44Å; N32-T101 VanDerWaalsContact ND2-CG2 3.28Å; N32-T101 WeakPolarHBondContact ND2-CG2 3.21Å
33	Q	94.9	Very high	92.6	Very high	97 Å²	97	74.1 Å²	74.1	45%	0.453	40%	0.403	S	S	.	.	H	α-helix	trans	-64.5	-45.4	174.9	-173	57.1	44.7	0	0	111.1	S29 A30 R35 K36 D37	S29-Q33 PolarHBondContact O-N 3.33Å; A30-Q33 PolarHBondContact O-N 2.92Å; Q33-R35 VanDerWaalsContact C-N 3.31Å; Q33-R35 PolarHBondContact O-N 2.87Å; Q33-K36 PolarHBondContact O-N 3.07Å; Q33-K36 VanDerWaalsContact O-N 3.14Å; Q33-D37 VanDerWaalsContact NE2-CG 3.29Å; Q33-D37 PolarHBondContact NE2-OD1 3.37Å; Q33-D37 PolarHBondContact NE2-OD2 3.18Å; Q33-D37 PolarHBondContact O-N 3.46Å
34	Q	95.1	Very high	92.8	Very high	57 Å²	57	69.6 Å²	69.6	27%	0.266	38%	0.383	S	S	.	.	H	α-helix	trans	-56.5	-44.4	174	-74.3	174.7	-8.7	0	0	112	A30 L31 K36 D37 G38 Q39	A30-Q34 WeakPolarHBondContact O-CG 3.49Å; A30-Q34 PolarHBondContact O-N 3.05Å; L31-Q34 PolarHBondContact O-N 3.36Å; Q34-K36 PolarHBondContact O-N 2.87Å; Q34-D37 CarbonylContact O-C 3.56Å; Q34-D37 PolarHBondContact O-N 3.4Å; Q34-G38 PolarHBondContact O-N 2.92Å; Q34-Q39 HydrophobicContact CB-CB 4.31Å; Q34-Q39 HydrophobicContact CG-CB 4.47Å; Q34-Q39 PolarHBondContact O-N 3.01Å
35	R	94.9	Very high	93.1	Very high	25 Å²	25	62.2 Å²	62.2	9%	0.094	35%	0.349	C	S	.	.	H	α-helix	trans	-56.2	-48.7	174.8	-178.1	-172.5	63.7	135.3	-1.9	111.9	L31 N32 Q33 D37 G38 H53 L96 D97 Y100	L31-R35 PolarHBondContact O-N 3.15Å; N32-R35 WeakPolarHBondContact O-CB 3.3Å; N32-R35 PolarHBondContact O-N 2.85Å; N32-R35 PolarHBondContact OD1-NE 3.43Å; N32-R35 PolarHBondContact OD1-NH2 3.49Å; Q33-R35 VanDerWaalsContact C-N 3.31Å; Q33-R35 PolarHBondContact O-N 2.87Å; R35-D37 VanDerWaalsContact C-N 3.29Å; R35-D37 PolarHBondContact O-N 2.87Å; R35-G38 PolarHBondContact O-N 2.79Å; R35-G38 VanDerWaalsContact O-N 3.15Å; R35-H53 WeakPolarHBondContact CD-O 3.38Å; R35-H53 WeakPolarHBondContact CG-O 3.4Å; R35-L96 VanDerWaalsContact NH1-CB 3.35Å; R35-D97 IonicContact CZ-OD1 3.82Å; R35-D97 IonicContact NH1-OD1 3.67Å; R35-D97 PolarHBondContact NH1-OD1 3.33Å; R35-D97 IonicContact NH2-OD1 2.69Å; R35-D97 PolarHBondContact NH2-OD1 2.89Å; R35-Y100 HydrophobicContact CB-CD1 4.42Å; R35-Y100 HydrophobicContact CB-CE1 3.95Å; R35-Y100 HydrophobicContact CG-CE1 4.47Å
36	K	93.1	Very high	93.4	Very high	136 Å²	136	57.5 Å²	57.5	59%	0.591	32%	0.324	S	S	*	.	H	α-helix	trans	-64.2	-34.7	-179.5	-72.3	174.9	-178	177.4	0	112.5	N32 Q33 Q34 G38	N32-K36 WeakPolarHBondContact O-CG 3.26Å; N32-K36 PolarHBondContact O-N 2.8Å; Q33-K36 PolarHBondContact O-N 3.07Å; Q33-K36 VanDerWaalsContact O-N 3.14Å; Q34-K36 PolarHBondContact O-N 2.87Å; K36-G38 VanDerWaalsContact C-N 3.28Å
37	D	93.9	Very high	93.5	Very high	92 Å²	92	54.2 Å²	54.2	49%	0.492	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-2.3	177.9	-61.8	-24.8	0	0	0	112.8	Q33 Q34 R35 Q39	Q33-D37 VanDerWaalsContact NE2-CG 3.29Å; Q33-D37 PolarHBondContact NE2-OD1 3.37Å; Q33-D37 PolarHBondContact NE2-OD2 3.18Å; Q33-D37 PolarHBondContact O-N 3.46Å; Q34-D37 CarbonylContact O-C 3.56Å; Q34-D37 PolarHBondContact O-N 3.4Å; R35-D37 VanDerWaalsContact C-N 3.29Å; R35-D37 PolarHBondContact O-N 2.87Å; D37-Q39 HydrophobicContact CB-CG 3.97Å; D37-Q39 PolarHBondContact O-N 3.4Å
38	G	90.9	Very high	93.2	Very high	43 Å²	43	54.3 Å²	54.3	44%	0.443	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	20	-176.9	0	0	0	0	0	114	Q34 R35 K36	Q34-G38 PolarHBondContact O-N 2.92Å; R35-G38 PolarHBondContact O-N 2.79Å; R35-G38 VanDerWaalsContact O-N 3.15Å; K36-G38 VanDerWaalsContact C-N 3.28Å
39	Q	91.4	Very high	92.9	Very high	106 Å²	106	61.2 Å²	61.2	50%	0.495	35%	0.346	S	S	.	.			trans	-88.5	131.7	-177.4	-65.1	-179.4	11.9	0	0	110.6	Q34 D37 C41 H55	Q34-Q39 HydrophobicContact CB-CB 4.31Å; Q34-Q39 HydrophobicContact CG-CB 4.47Å; Q34-Q39 PolarHBondContact O-N 3.01Å; D37-Q39 HydrophobicContact CB-CG 3.97Å; D37-Q39 PolarHBondContact O-N 3.4Å; Q39-C41 PolarHBondContact O-N 3.18Å; Q39-H55 PolarHBondContact O-NE2 2.56Å
40	L	92.3	Very high	92.9	Very high	135 Å²	135	62.1 Å²	62.1	71%	0.707	34%	0.341	S	S	*	.	S	Bend	trans	61.3	7.7	178.2	-52.6	175.3	0	0	0	115.1	D42 H55	L40-D42 PolarHBondContact O-N 3.45Å; L40-H55 PolarHBondContact O-CD2 3.05Å; L40-H55 VanDerWaalsContact O-CD2 3.24Å
41	C	92.6	Very high	93	Very high	34 Å²	34	65.7 Å²	65.7	23%	0.23	35%	0.348	C	S	.	.			trans	-64	122.3	172.5	-63.4	0	0	0	0	110.4	Q39 H53 A54	Q39-C41 PolarHBondContact O-N 3.18Å; C41-H53 HydrophobicContact CB-CB 3.95Å; C41-A54 WeakPolarHBondContact CA-O 3.5Å; C41-A54 WeakPolarHBondContact CB-O 3.38Å
42	D	92.9	Very high	93	Very high	71 Å²	71	64.8 Å²	64.8	38%	0.38	34%	0.342	S	S	.	.			trans	-111.6	7.5	-175.5	59.4	-4.7	0	0	0	112.3	L40 A54 H55 K56	L40-D42 PolarHBondContact O-N 3.45Å; D42-A54 PolarHBondContact N-O 2.88Å; D42-H55 VanDerWaalsContact OD1-CA 3.22Å; D42-H55 WeakPolarHBondContact OD1-CA 3.22Å; D42-K56 WeakPolarHBondContact O-CE 3.27Å; D42-K56 WeakPolarHBondContact OD1-CG 3.32Å; D42-K56 PolarHBondContact OD1-N 3.37Å
43	V	93.3	Very high	93	Very high	3 Å²	3	68.8 Å²	68.8	2%	0.018	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	145.4	171.1	66.1	0	0	0	0	111.6	L45 A54 K56 L59 F70 V82	V43-L45 HydrophobicContact CG2-CD2 4.06Å; V43-A54 HydrophobicContact CG1-CB 4.07Å; V43-A54 PolarHBondContact N-O 3.44Å; V43-A54 PolarHBondContact O-N 3.38Å; V43-K56 HydrophobicContact CB-CD 4.5Å; V43-K56 HydrophobicContact CB-CG 3.88Å; V43-K56 HydrophobicContact CG1-CG 3.89Å; V43-L59 HydrophobicContact CG1-CD1 4.24Å; V43-F70 HydrophobicContact CG1-CZ 4.41Å; V43-F70 HydrophobicContact CG2-CE1 4.34Å; V43-F70 HydrophobicContact CG2-CZ 4.28Å; V43-V82 HydrophobicContact CG2-CG2 4.06Å
44	T	94.5	Very high	93.1	Very high	21 Å²	21	64.1 Å²	64.1	13%	0.129	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115.3	167.7	-55.2	0	0	0	0	109.5	K51 F52 H53 D80 E81 V82	T44-K51 HydrophobicContact CG2-CB 3.92Å; T44-K51 HydrophobicContact CG2-CD 4.24Å; T44-K51 HydrophobicContact CG2-CG 4.47Å; T44-F52 CarbonylContact C-O 3.57Å; T44-F52 WeakPolarHBondContact CA-O 3.17Å; T44-H53 PolarHBondContact OG1-CE1 3.14Å; T44-H53 PolarHBondContact OG1-ND1 2.99Å; T44-D80 PolarHBondContact N-O 3.02Å; T44-E81 CarbonylContact O-C 3.45Å; T44-E81 VanDerWaalsContact O-CA 3.3Å; T44-E81 WeakPolarHBondContact O-CA 3.3Å; T44-V82 PolarHBondContact O-N 3.32Å
45	L	94.6	Very high	93.1	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	133.3	176.3	-59.5	177.8	0	0	0	110.2	V43 K51 F52 L59 F66 V82 L84 L92 L96	V43-L45 HydrophobicContact CG2-CD2 4.06Å; L45-K51 CarbonylContact O-C 3.51Å; L45-K51 WeakPolarHBondContact O-CA 3.32Å; L45-F52 PolarHBondContact N-O 2.69Å; L45-F52 PolarHBondContact O-N 3.3Å; L45-L59 HydrophobicContact CD1-CD1 3.84Å; L45-F66 HydrophobicContact CD1-CE1 4.06Å; L45-F66 HydrophobicContact CD1-CZ 3.79Å; L45-F66 HydrophobicContact CD2-CE1 4.06Å; L45-V82 CarbonylContact C-O 3.55Å; L45-V82 WeakPolarHBondContact CA-O 3.42Å; L45-V82 HydrophobicContact CD2-CB 4.09Å; L45-V82 HydrophobicContact CD2-CG1 4.5Å; L45-L84 HydrophobicContact CB-CD1 4.27Å; L45-L84 HydrophobicContact CD1-CD1 4.1Å; L45-L84 HydrophobicContact CD2-CD1 4.23Å; L45-L84 HydrophobicContact CD2-CG 4.45Å; L45-L84 HydrophobicContact CG-CD1 4.44Å; L45-L92 HydrophobicContact CB-CD2 4.03Å; L45-L92 HydrophobicContact CD1-CD1 4.18Å; L45-L96 HydrophobicContact CD1-CD2 4.08Å
46	V	94.1	Very high	93	Very high	13 Å²	13	62.5 Å²	62.5	8%	0.079	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.9	177.2	-170.7	0	0	0	0	109.4	Q50 K51 E81 V82 T83 L84	V46-Q50 WeakPolarHBondContact CA-O 3.19Å; V46-K51 HydrophobicContact CG2-CG 4.17Å; V46-E81 HydrophobicContact CG2-CG 3.53Å; V46-E81 VanDerWaalsContact CG2-OE1 3.26Å; V46-E81 WeakPolarHBondContact CG2-OE1 3.4Å; V46-V82 PolarHBondContact N-O 3.44Å; V46-T83 HydrophobicContact CB-CG2 4.34Å; V46-T83 WeakPolarHBondContact O-CA 3.47Å; V46-L84 PolarHBondContact O-N 2.95Å
47	A	93.2	Very high	92.9	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	113.1	173.5	0	0	0	0	0	109.3	E49 Q50 F52 V87 L92	A47-E49 PolarHBondContact O-N 3.15Å; A47-Q50 PolarHBondContact N-O 3.24Å; A47-Q50 VanDerWaalsContact N-O 3.08Å; A47-Q50 PolarHBondContact O-N 3.02Å; A47-F52 HydrophobicContact CB-CE2 4.47Å; A47-V87 WeakPolarHBondContact CB-O 3.36Å; A47-L92 HydrophobicContact CB-CB 4.15Å; A47-L92 HydrophobicContact CB-CD2 3.54Å
48	G	86.4	Confident	93	Very high	66 Å²	66	56 Å²	56	68%	0.68	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	-121.9	-168.6	0	0	0	0	0	111
49	E	85.6	Confident	93.1	Very high	197 Å²	197	54 Å²	54	92%	0.921	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	0	-179.8	-60.2	-171.7	167.4	0	0	113.9	A47	A47-E49 PolarHBondContact O-N 3.15Å
50	Q	94.6	Very high	93.2	Very high	99 Å²	99	50 Å²	50	46%	0.463	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.8	-177	-67.2	-172.7	7.9	0	0	112.3	V46 A47 F52	V46-Q50 WeakPolarHBondContact CA-O 3.19Å; A47-Q50 PolarHBondContact N-O 3.24Å; A47-Q50 VanDerWaalsContact N-O 3.08Å; A47-Q50 PolarHBondContact O-N 3.02Å; Q50-F52 HydrophobicContact CB-CE2 3.63Å; Q50-F52 HydrophobicContact CB-CZ 3.87Å
51	K	94.4	Very high	93.2	Very high	122 Å²	122	47.8 Å²	47.8	53%	0.53	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.7	176.5	-60	-162.7	174.6	-163.2	0	110.7	T44 L45 V46 E81	T44-K51 HydrophobicContact CG2-CB 3.92Å; T44-K51 HydrophobicContact CG2-CD 4.24Å; T44-K51 HydrophobicContact CG2-CG 4.47Å; L45-K51 CarbonylContact O-C 3.51Å; L45-K51 WeakPolarHBondContact O-CA 3.32Å; V46-K51 HydrophobicContact CG2-CG 4.17Å; K51-E81 WeakPolarHBondContact CE-OE1 3.24Å; K51-E81 IonicContact NZ-OE1 2.92Å; K51-E81 PolarHBondContact NZ-OE1 2.9Å; K51-E81 IonicContact NZ-OE2 3.92Å; K51-E81 PolarHBondContact NZ-OE2 3.28Å
52	F	96	Very high	93.3	Very high	29 Å²	29	48.5 Å²	48.5	13%	0.127	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	120.1	-178.6	-59	-91	0	0	0	110.4	T44 L45 A47 Q50 S89 L92 K93 L96	T44-F52 CarbonylContact C-O 3.57Å; T44-F52 WeakPolarHBondContact CA-O 3.17Å; L45-F52 PolarHBondContact N-O 2.69Å; L45-F52 PolarHBondContact O-N 3.3Å; A47-F52 HydrophobicContact CB-CE2 4.47Å; Q50-F52 HydrophobicContact CB-CE2 3.63Å; Q50-F52 HydrophobicContact CB-CZ 3.87Å; F52-S89 WeakPolarHBondContact CZ-O 3.44Å; F52-L92 HydrophobicContact CD2-CD2 3.56Å; F52-L92 HydrophobicContact CD2-CG 4.25Å; F52-L92 HydrophobicContact CE2-CD2 3.94Å; F52-L92 HydrophobicContact CE2-CG 4.45Å; F52-L92 HydrophobicContact CG-CD2 4.27Å; F52-K93 HydrophobicContact CE1-CB 3.82Å; F52-K93 HydrophobicContact CE1-CG 4.19Å; F52-K93 HydrophobicContact CZ-CB 4.19Å; F52-L96 HydrophobicContact CB-CD1 3.53Å; F52-L96 HydrophobicContact CD1-CD1 4.1Å; F52-L96 HydrophobicContact CG-CD1 3.92Å
53	H	95.1	Very high	93.4	Very high	98 Å²	98	45.2 Å²	45.2	45%	0.454	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	140.2	173.2	-63.3	-61.6	0	0	0	110.9	R35 C41 T44	R35-H53 WeakPolarHBondContact CD-O 3.38Å; R35-H53 WeakPolarHBondContact CG-O 3.4Å; C41-H53 HydrophobicContact CB-CB 3.95Å; T44-H53 PolarHBondContact OG1-CE1 3.14Å; T44-H53 PolarHBondContact OG1-ND1 2.99Å
54	A	95.8	Very high	93.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	174.4	179.4	0	0	0	0	0	112.2	C41 D42 V43 L59 L96	C41-A54 WeakPolarHBondContact CA-O 3.5Å; C41-A54 WeakPolarHBondContact CB-O 3.38Å; D42-A54 PolarHBondContact N-O 2.88Å; V43-A54 HydrophobicContact CG1-CB 4.07Å; V43-A54 PolarHBondContact N-O 3.44Å; V43-A54 PolarHBondContact O-N 3.38Å; A54-L59 HydrophobicContact CB-CD1 3.79Å; A54-L59 HydrophobicContact CB-CG 4.26Å; A54-L96 HydrophobicContact CB-CD2 4.39Å
55	H	95.1	Very high	93.2	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.056	29%	0.291	C	S	.	.			trans	-107.1	120	175	-53.5	122.9	0	0	0	109.2	L31 Q39 L40 D42 A57 V58 L59 Y100	L31-H55 PolarHBondContact O-CE1 3.43Å; Q39-H55 PolarHBondContact O-NE2 2.56Å; L40-H55 PolarHBondContact O-CD2 3.05Å; L40-H55 VanDerWaalsContact O-CD2 3.24Å; D42-H55 VanDerWaalsContact OD1-CA 3.22Å; D42-H55 WeakPolarHBondContact OD1-CA 3.22Å; H55-A57 PolarHBondContact O-N 2.99Å; H55-V58 HydrophobicContact CB-CB 4.24Å; H55-V58 HydrophobicContact CB-CG2 3.93Å; H55-V58 PolarHBondContact O-N 3.32Å; H55-L59 WeakPolarHBondContact O-CG 3.35Å; H55-L59 PolarHBondContact O-N 3.3Å; H55-L59 VanDerWaalsContact O-N 3.15Å; H55-Y100 VanDerWaalsContact CB-OH 3.27Å; H55-Y100 WeakPolarHBondContact CB-OH 3.23Å; H55-Y100 VanDerWaalsContact CG-OH 3.23Å; H55-Y100 PolarHBondContact N-OH 3.32Å; H55-Y100 AromaticContact ND1-CE1 3.4Å; H55-Y100 WeakPolarHBondContact ND1-CE1 3.43Å; H55-Y100 AromaticContact ND1-CZ 3.57Å; H55-Y100 PolarHBondContact ND1-OH 2.86Å
56	K	92.8	Very high	93.2	Very high	35 Å²	35	51 Å²	51	15%	0.152	29%	0.292	C	S	.	.	H	α-helix	trans	-51.6	-41.2	177.1	-70.7	178.1	175.7	172.8	0	111.1	D42 V43 V58 L59 A60 F70 S77 A79	D42-K56 WeakPolarHBondContact O-CE 3.27Å; D42-K56 WeakPolarHBondContact OD1-CG 3.32Å; D42-K56 PolarHBondContact OD1-N 3.37Å; V43-K56 HydrophobicContact CB-CD 4.5Å; V43-K56 HydrophobicContact CB-CG 3.88Å; V43-K56 HydrophobicContact CG1-CG 3.89Å; K56-V58 PolarHBondContact O-N 2.83Å; K56-L59 PolarHBondContact O-N 3.08Å; K56-A60 VanDerWaalsContact O-CB 3.23Å; K56-A60 WeakPolarHBondContact O-CB 3.4Å; K56-A60 PolarHBondContact O-N 3.29Å; K56-F70 HydrophobicContact CB-CD2 3.8Å; K56-F70 HydrophobicContact CB-CE2 4.05Å; K56-F70 HydrophobicContact CB-CG 4.16Å; K56-F70 HydrophobicContact CD-CD1 4.08Å; K56-F70 HydrophobicContact CD-CE1 4.38Å; K56-F70 HydrophobicContact CD-CG 4.24Å; K56-F70 HydrophobicContact CG-CD1 4.07Å; K56-F70 HydrophobicContact CG-CD2 3.94Å; K56-F70 HydrophobicContact CG-CE1 4.07Å; K56-F70 HydrophobicContact CG-CE2 3.93Å; K56-F70 HydrophobicContact CG-CG 4.03Å; K56-F70 HydrophobicContact CG-CZ 4Å; K56-S77 PolarHBondContact NZ-O 3Å; K56-A79 PolarHBondContact NZ-O 3.23Å
57	A	92.4	Very high	93	Very high	74 Å²	74	57 Å²	57	61%	0.612	31%	0.313	S	S	*	.	H	α-helix	trans	-63.2	-40.2	179.4	0	0	0	0	0	113.9	H55 A61	H55-A57 PolarHBondContact O-N 2.99Å; A57-A61 WeakPolarHBondContact O-CB 3.48Å; A57-A61 PolarHBondContact O-N 3.33Å; A57-A61 VanDerWaalsContact O-N 3.12Å
58	V	94.5	Very high	92.9	Very high	17 Å²	17	59 Å²	59	10%	0.103	33%	0.329	C	S	.	.	H	α-helix	trans	-69.6	-45.4	178.4	176.4	0	0	0	0	109.8	L31 H55 K56 A61 C62 Y100	L31-V58 HydrophobicContact CD1-CG2 4.07Å; H55-V58 HydrophobicContact CB-CB 4.24Å; H55-V58 HydrophobicContact CB-CG2 3.93Å; H55-V58 PolarHBondContact O-N 3.32Å; K56-V58 PolarHBondContact O-N 2.83Å; V58-A61 WeakPolarHBondContact O-CB 3.4Å; V58-A61 PolarHBondContact O-N 3.19Å; V58-C62 PolarHBondContact O-N 3.15Å; V58-C62 PolarHBondContact O-SG 2.89Å; V58-Y100 HydrophobicContact CB-CE1 4.22Å; V58-Y100 HydrophobicContact CB-CE2 4.16Å; V58-Y100 HydrophobicContact CG1-CD1 4.24Å; V58-Y100 HydrophobicContact CG1-CD2 3.98Å; V58-Y100 HydrophobicContact CG1-CE1 4.01Å; V58-Y100 HydrophobicContact CG1-CE2 3.69Å; V58-Y100 HydrophobicContact CG1-CG 4.26Å; V58-Y100 HydrophobicContact CG2-CE1 3.95Å
59	L	94.3	Very high	93	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-45.7	179	-62.7	-178.2	0	0	0	112.3	V43 L45 A54 H55 K56 A61 C62 S63 F66 F70 L96	V43-L59 HydrophobicContact CG1-CD1 4.24Å; L45-L59 HydrophobicContact CD1-CD1 3.84Å; A54-L59 HydrophobicContact CB-CD1 3.79Å; A54-L59 HydrophobicContact CB-CG 4.26Å; H55-L59 WeakPolarHBondContact O-CG 3.35Å; H55-L59 PolarHBondContact O-N 3.3Å; H55-L59 VanDerWaalsContact O-N 3.15Å; K56-L59 PolarHBondContact O-N 3.08Å; L59-A61 PolarHBondContact O-N 3.12Å; L59-C62 PolarHBondContact O-N 2.82Å; L59-S63 WeakPolarHBondContact O-CB 3.41Å; L59-S63 PolarHBondContact O-N 2.9Å; L59-F66 HydrophobicContact CB-CB 3.84Å; L59-F66 HydrophobicContact CB-CD1 4.47Å; L59-F66 HydrophobicContact CB-CD2 3.74Å; L59-F66 HydrophobicContact CB-CE2 4.41Å; L59-F66 HydrophobicContact CB-CG 3.78Å; L59-F66 HydrophobicContact CD1-CD1 4.34Å; L59-F66 HydrophobicContact CD1-CD2 4.39Å; L59-F66 HydrophobicContact CD1-CE1 4.31Å; L59-F66 HydrophobicContact CD1-CE2 4.36Å; L59-F66 HydrophobicContact CD1-CG 4.38Å; L59-F66 HydrophobicContact CD1-CZ 4.31Å; L59-F66 HydrophobicContact CD2-CD2 4.28Å; L59-F66 HydrophobicContact CD2-CE2 4.18Å; L59-F66 HydrophobicContact CG-CD2 4.36Å; L59-F70 HydrophobicContact CB-CE2 4.11Å; L59-F70 HydrophobicContact CD1-CE2 4.13Å; L59-F70 HydrophobicContact CD1-CZ 4.41Å; L59-L96 HydrophobicContact CD2-CD2 3.46Å; L59-L96 VanDerWaalsContact CD2-CD2 3.46Å
60	A	93.4	Very high	93.1	Very high	22 Å²	22	48.8 Å²	48.8	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-66.7	-23.7	176.9	0	0	0	0	0	113.2	K56 R67	K56-A60 VanDerWaalsContact O-CB 3.23Å; K56-A60 WeakPolarHBondContact O-CB 3.4Å; K56-A60 PolarHBondContact O-N 3.29Å; A60-R67 HydrophobicContact CB-CB 4.15Å; A60-R67 HydrophobicContact CB-CG 4.45Å
61	A	92.9	Very high	92.5	Very high	89 Å²	89	47.9 Å²	47.9	74%	0.736	27%	0.269	S	S	*	.	H	α-helix	trans	-75.4	-32.5	176.9	0	0	0	0	0	112.6	A57 V58 L59	A57-A61 WeakPolarHBondContact O-CB 3.48Å; A57-A61 PolarHBondContact O-N 3.33Å; A57-A61 VanDerWaalsContact O-N 3.12Å; V58-A61 WeakPolarHBondContact O-CB 3.4Å; V58-A61 PolarHBondContact O-N 3.19Å; L59-A61 PolarHBondContact O-N 3.12Å
62	C	92.7	Very high	91.3	Very high	49 Å²	49	47.9 Å²	47.9	33%	0.331	27%	0.274	S	S	.	.	H	α-helix	trans	-105.4	-9.7	-176.2	68.7	0	0	0	0	114.6	V58 L59 A99 L123	V58-C62 PolarHBondContact O-N 3.15Å; V58-C62 PolarHBondContact O-SG 2.89Å; L59-C62 PolarHBondContact O-N 2.82Å; C62-A99 VanDerWaalsContact SG-CB 3.59Å; C62-L123 HydrophobicContact CB-CD2 4.44Å; C62-L123 WeakPolarHBondContact O-CD2 3.36Å
63	S	95.2	Very high	89.8	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.014	31%	0.307	C	S	.	.			trans	-138.5	123.1	-175.1	163.7	0	0	0	0	111.6	L59 Y65 F66 R67 L121	L59-S63 WeakPolarHBondContact O-CB 3.41Å; L59-S63 PolarHBondContact O-N 2.9Å; S63-Y65 VanDerWaalsContact C-N 3.27Å; S63-Y65 PolarHBondContact O-N 3.44Å; S63-Y65 PolarHBondContact OG-N 3.49Å; S63-F66 PolarHBondContact O-N 2.98Å; S63-F66 WeakPolarHBondContact OG-CD2 3.36Å; S63-F66 PolarHBondContact OG-N 3.07Å; S63-F66 VanDerWaalsContact OG-N 3.14Å; S63-R67 WeakPolarHBondContact O-CB 3.47Å; S63-R67 PolarHBondContact O-N 3.14Å; S63-L121 WeakPolarHBondContact CB-O 3.37Å; S63-L121 PolarHBondContact OG-O 3.26Å
64	D	92.6	Very high	88.3	Confident	77 Å²	77	52.3 Å²	52.3	41%	0.412	31%	0.308	S	S	.	.	H	α-helix	trans	-66.1	-30.9	174.3	-82.4	-37.3	0	0	0	112.7	R67 A68	D64-R67 PolarHBondContact O-N 3.26Å; D64-R67 IonicContact OD1-CZ 2.8Å; D64-R67 IonicContact OD1-NE 3.19Å; D64-R67 PolarHBondContact OD1-NE 3.43Å; D64-R67 IonicContact OD1-NH2 2.77Å; D64-R67 PolarHBondContact OD1-NH2 3.39Å; D64-A68 VanDerWaalsContact O-CB 3.32Å; D64-A68 WeakPolarHBondContact O-CB 3.47Å; D64-A68 PolarHBondContact O-N 3.37Å
65	Y	92.6	Very high	86.8	Confident	63 Å²	63	58.3 Å²	58.3	25%	0.247	34%	0.344	C	S	.	.	H	α-helix	trans	-60.2	-52.2	173.8	174.6	-92.1	0	0	0	111.2	S63 R67 A68 M69 L84 L121 Q122	S63-Y65 VanDerWaalsContact C-N 3.27Å; S63-Y65 PolarHBondContact O-N 3.44Å; S63-Y65 PolarHBondContact OG-N 3.49Å; Y65-R67 VanDerWaalsContact C-N 3.35Å; Y65-A68 PolarHBondContact O-N 3.46Å; Y65-M69 HydrophobicContact CD1-CE 4.34Å; Y65-M69 HydrophobicContact CE1-CE 3.33Å; Y65-M69 HydrophobicContact CE1-SD 4.41Å; Y65-M69 HydrophobicContact CE2-CE 4.5Å; Y65-M69 VanDerWaalsContact CZ-CE 3.44Å; Y65-M69 WeakPolarHBondContact O-CB 3.5Å; Y65-M69 PolarHBondContact O-N 2.95Å; Y65-M69 WeakPolarHBondContact OH-CE 3.29Å; Y65-L84 HydrophobicContact CE1-CD2 4.07Å; Y65-L121 HydrophobicContact CD1-CD2 3.85Å; Y65-L121 HydrophobicContact CE1-CD2 3.88Å; Y65-Q122 VanDerWaalsContact N-OE1 3.16Å
66	F	92.9	Very high	85.6	Confident	4 Å²	4	61 Å²	61	2%	0.018	36%	0.357	C	S	.	.	H	α-helix	trans	-68.6	-35.6	177.9	-73.7	-56.6	0	0	0	112	L45 L59 S63 A68 M69 F70 L84 L121	L45-F66 HydrophobicContact CD1-CE1 4.06Å; L45-F66 HydrophobicContact CD1-CZ 3.79Å; L45-F66 HydrophobicContact CD2-CE1 4.06Å; L59-F66 HydrophobicContact CB-CB 3.84Å; L59-F66 HydrophobicContact CB-CD1 4.47Å; L59-F66 HydrophobicContact CB-CD2 3.74Å; L59-F66 HydrophobicContact CB-CE2 4.41Å; L59-F66 HydrophobicContact CB-CG 3.78Å; L59-F66 HydrophobicContact CD1-CD1 4.34Å; L59-F66 HydrophobicContact CD1-CD2 4.39Å; L59-F66 HydrophobicContact CD1-CE1 4.31Å; L59-F66 HydrophobicContact CD1-CE2 4.36Å; L59-F66 HydrophobicContact CD1-CG 4.38Å; L59-F66 HydrophobicContact CD1-CZ 4.31Å; L59-F66 HydrophobicContact CD2-CD2 4.28Å; L59-F66 HydrophobicContact CD2-CE2 4.18Å; L59-F66 HydrophobicContact CG-CD2 4.36Å; S63-F66 PolarHBondContact O-N 2.98Å; S63-F66 WeakPolarHBondContact OG-CD2 3.36Å; S63-F66 PolarHBondContact OG-N 3.07Å; S63-F66 VanDerWaalsContact OG-N 3.14Å; F66-A68 VanDerWaalsContact C-N 3.33Å; F66-A68 PolarHBondContact O-N 2.94Å; F66-M69 HydrophobicContact CD1-SD 4.18Å; F66-M69 HydrophobicContact CE1-SD 4.48Å; F66-M69 PolarHBondContact O-N 3.03Å; F66-F70 HydrophobicContact CB-CD2 4.13Å; F66-F70 HydrophobicContact CB-CE2 3.84Å; F66-F70 AromaticContact CD1-CE2 3.77Å; F66-F70 HydrophobicContact CD1-CE2 3.77Å; F66-F70 AromaticContact CD1-CZ 3.84Å; F66-F70 HydrophobicContact CD1-CZ 3.84Å; F66-F70 HydrophobicContact CE1-CZ 4.48Å; F66-F70 HydrophobicContact CG-CE2 4.11Å; F66-F70 WeakPolarHBondContact O-CB 3.5Å; F66-F70 WeakPolarHBondContact O-CD2 3.47Å; F66-F70 WeakPolarHBondContact O-CG 3.45Å; F66-F70 PolarHBondContact O-N 2.91Å; F66-L84 HydrophobicContact CE1-CD1 4.36Å; F66-L84 HydrophobicContact CE1-CD2 4.32Å; F66-L84 HydrophobicContact CZ-CD1 4.11Å; F66-L121 HydrophobicContact CE1-CD2 4.33Å; F66-L121 HydrophobicContact CE2-CB 4.35Å; F66-L121 HydrophobicContact CE2-CD1 4.14Å; F66-L121 HydrophobicContact CE2-CD2 3.85Å; F66-L121 HydrophobicContact CE2-CG 4.34Å; F66-L121 HydrophobicContact CZ-CD1 4.29Å; F66-L121 HydrophobicContact CZ-CD2 3.6Å; F66-L121 HydrophobicContact CZ-CG 4.46Å
67	R	91.6	Very high	84.5	Confident	141 Å²	141	60.4 Å²	60.4	53%	0.532	36%	0.357	S	S	.	.	H	α-helix	trans	-58.5	-47	174.2	-170.2	167.6	67.8	137.3	-1.9	111.3	A60 S63 D64 Y65 S71	A60-R67 HydrophobicContact CB-CB 4.15Å; A60-R67 HydrophobicContact CB-CG 4.45Å; S63-R67 WeakPolarHBondContact O-CB 3.47Å; S63-R67 PolarHBondContact O-N 3.14Å; D64-R67 PolarHBondContact O-N 3.26Å; D64-R67 IonicContact OD1-CZ 2.8Å; D64-R67 IonicContact OD1-NE 3.19Å; D64-R67 PolarHBondContact OD1-NE 3.43Å; D64-R67 IonicContact OD1-NH2 2.77Å; D64-R67 PolarHBondContact OD1-NH2 3.39Å; Y65-R67 VanDerWaalsContact C-N 3.35Å; R67-S71 WeakPolarHBondContact O-CB 3.18Å; R67-S71 PolarHBondContact O-N 3.07Å; R67-S71 PolarHBondContact O-OG 2.98Å
68	A	89.5	Confident	83.6	Confident	41 Å²	41	64.8 Å²	64.8	34%	0.339	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-48.7	176	0	0	0	0	0	111.5	D64 Y65 F66 F70 S71 L72	D64-A68 VanDerWaalsContact O-CB 3.32Å; D64-A68 WeakPolarHBondContact O-CB 3.47Å; D64-A68 PolarHBondContact O-N 3.37Å; Y65-A68 PolarHBondContact O-N 3.46Å; F66-A68 VanDerWaalsContact C-N 3.33Å; F66-A68 PolarHBondContact O-N 2.94Å; A68-F70 VanDerWaalsContact C-N 3.34Å; A68-F70 PolarHBondContact O-N 3.24Å; A68-S71 PolarHBondContact O-N 3.25Å; A68-L72 HydrophobicContact CB-CD1 3.8Å; A68-L72 VanDerWaalsContact O-CB 3.29Å; A68-L72 WeakPolarHBondContact O-CB 3.38Å; A68-L72 WeakPolarHBondContact O-CG 3.49Å; A68-L72 PolarHBondContact O-N 2.97Å; A68-L72 VanDerWaalsContact O-N 3.15Å
69	M	88.5	Confident	82.8	Confident	22 Å²	22	65.2 Å²	65.2	11%	0.108	37%	0.371	C	S	.	.	H	α-helix	trans	-56.2	-44.8	179.9	-179.2	-177.8	-78	0	0	112.6	Y65 F66 E76 V82 L84	Y65-M69 HydrophobicContact CD1-CE 4.34Å; Y65-M69 HydrophobicContact CE1-CE 3.33Å; Y65-M69 HydrophobicContact CE1-SD 4.41Å; Y65-M69 HydrophobicContact CE2-CE 4.5Å; Y65-M69 VanDerWaalsContact CZ-CE 3.44Å; Y65-M69 WeakPolarHBondContact O-CB 3.5Å; Y65-M69 PolarHBondContact O-N 2.95Å; Y65-M69 WeakPolarHBondContact OH-CE 3.29Å; F66-M69 HydrophobicContact CD1-SD 4.18Å; F66-M69 HydrophobicContact CE1-SD 4.48Å; F66-M69 PolarHBondContact O-N 3.03Å; M69-E76 HydrophobicContact CG-CB 3.82Å; M69-E76 HydrophobicContact CG-CG 4.49Å; M69-E76 HydrophobicContact SD-CB 4.34Å; M69-V82 HydrophobicContact CE-CG1 4.2Å; M69-V82 HydrophobicContact SD-CG1 3.85Å; M69-L84 HydrophobicContact CE-CD2 4.16Å
70	F	87.8	Confident	82.2	Confident	26 Å²	26	71.3 Å²	71.3	11%	0.114	40%	0.403	C	S	.	.	H	α-helix	trans	-88.6	-18	-175.3	-57.9	-40.8	0	0	0	114.2	V43 K56 L59 F66 A68	V43-F70 HydrophobicContact CG1-CZ 4.41Å; V43-F70 HydrophobicContact CG2-CE1 4.34Å; V43-F70 HydrophobicContact CG2-CZ 4.28Å; K56-F70 HydrophobicContact CB-CD2 3.8Å; K56-F70 HydrophobicContact CB-CE2 4.05Å; K56-F70 HydrophobicContact CB-CG 4.16Å; K56-F70 HydrophobicContact CD-CD1 4.08Å; K56-F70 HydrophobicContact CD-CE1 4.38Å; K56-F70 HydrophobicContact CD-CG 4.24Å; K56-F70 HydrophobicContact CG-CD1 4.07Å; K56-F70 HydrophobicContact CG-CD2 3.94Å; K56-F70 HydrophobicContact CG-CE1 4.07Å; K56-F70 HydrophobicContact CG-CE2 3.93Å; K56-F70 HydrophobicContact CG-CG 4.03Å; K56-F70 HydrophobicContact CG-CZ 4Å; L59-F70 HydrophobicContact CB-CE2 4.11Å; L59-F70 HydrophobicContact CD1-CE2 4.13Å; L59-F70 HydrophobicContact CD1-CZ 4.41Å; F66-F70 HydrophobicContact CB-CD2 4.13Å; F66-F70 HydrophobicContact CB-CE2 3.84Å; F66-F70 AromaticContact CD1-CE2 3.77Å; F66-F70 HydrophobicContact CD1-CE2 3.77Å; F66-F70 AromaticContact CD1-CZ 3.84Å; F66-F70 HydrophobicContact CD1-CZ 3.84Å; F66-F70 HydrophobicContact CE1-CZ 4.48Å; F66-F70 HydrophobicContact CG-CE2 4.11Å; F66-F70 WeakPolarHBondContact O-CB 3.5Å; F66-F70 WeakPolarHBondContact O-CD2 3.47Å; F66-F70 WeakPolarHBondContact O-CG 3.45Å; F66-F70 PolarHBondContact O-N 2.91Å; A68-F70 VanDerWaalsContact C-N 3.34Å; A68-F70 PolarHBondContact O-N 3.24Å
71	S	82	Confident	82.1	Confident	81 Å²	81	74.7 Å²	74.7	57%	0.566	42%	0.415	S	S	*	.	H	α-helix	trans	-103.7	-18.2	-174.7	-48	0	0	0	0	114.9	R67 A68	R67-S71 WeakPolarHBondContact O-CB 3.18Å; R67-S71 PolarHBondContact O-N 3.07Å; R67-S71 PolarHBondContact O-OG 2.98Å; A68-S71 PolarHBondContact O-N 3.25Å
72	L	70.2	Confident	82	Confident	121 Å²	121	70.8 Å²	70.8	63%	0.634	38%	0.382	S	S	*	.	S	Bend	trans	-97.8	28.6	-168.1	-67.3	172.9	0	0	0	115.6	A68 M74	A68-L72 HydrophobicContact CB-CD1 3.8Å; A68-L72 VanDerWaalsContact O-CB 3.29Å; A68-L72 WeakPolarHBondContact O-CB 3.38Å; A68-L72 WeakPolarHBondContact O-CG 3.49Å; A68-L72 PolarHBondContact O-N 2.97Å; A68-L72 VanDerWaalsContact O-N 3.15Å; L72-M74 HydrophobicContact CB-CG 4.32Å; L72-M74 PolarHBondContact O-N 3.18Å
73	C	63.1	Low	82	Confident	122 Å²	122	72.1 Å²	72.1	82%	0.824	39%	0.389	S	S	*	.			trans	53.1	35.6	-178.3	-61.4	0	0	0	0	113.7
74	M	64.7	Low	81.8	Confident	99 Å²	99	72.3 Å²	72.3	49%	0.488	39%	0.39	S	S	.	.			trans	-77.6	160	172.9	-63.7	-69	-72.2	0	0	109.9	L72 E76 S77	L72-M74 HydrophobicContact CB-CG 4.32Å; L72-M74 PolarHBondContact O-N 3.18Å; M74-E76 WeakPolarHBondContact CB-OE2 3.4Å; M74-E76 PolarHBondContact O-N 3.49Å; M74-E76 VanDerWaalsContact O-N 3.17Å; M74-S77 WeakPolarHBondContact O-CB 3.46Å; M74-S77 PolarHBondContact O-N 3.49Å; M74-S77 PolarHBondContact O-OG 2.85Å
75	V	64.3	Low	81.5	Confident	125 Å²	125	75.6 Å²	75.6	76%	0.758	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-59.7	-32	179.2	179.8	0	0	0	0	110.8	S77 E78 A79	V75-S77 VanDerWaalsContact C-N 3.26Å; V75-S77 PolarHBondContact O-N 3.37Å; V75-E78 PolarHBondContact O-N 3.32Å; V75-A79 PolarHBondContact O-N 2.87Å
76	E	70.3	Confident	81.1	Confident	69 Å²	69	75.5 Å²	75.5	32%	0.322	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-67.8	-18.8	177.8	-62.5	84	169.5	0	0	113.5	M69 M74 E78 A79 V82	M69-E76 HydrophobicContact CG-CB 3.82Å; M69-E76 HydrophobicContact CG-CG 4.49Å; M69-E76 HydrophobicContact SD-CB 4.34Å; M74-E76 WeakPolarHBondContact CB-OE2 3.4Å; M74-E76 PolarHBondContact O-N 3.49Å; M74-E76 VanDerWaalsContact O-N 3.17Å; E76-E78 VanDerWaalsContact C-N 3.3Å; E76-E78 PolarHBondContact O-N 3.27Å; E76-A79 PolarHBondContact O-N 3.31Å; E76-V82 HydrophobicContact CB-CG2 4.12Å; E76-V82 HydrophobicContact CG-CG1 4.21Å; E76-V82 HydrophobicContact CG-CG2 4.4Å
77	S	68.9	Low	81.1	Confident	22 Å²	22	75.7 Å²	75.7	15%	0.154	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-68.3	-33.7	176.7	69.6	0	0	0	0	111.7	K56 M74 V75	K56-S77 PolarHBondContact NZ-O 3Å; M74-S77 WeakPolarHBondContact O-CB 3.46Å; M74-S77 PolarHBondContact O-N 3.49Å; M74-S77 PolarHBondContact O-OG 2.85Å; V75-S77 VanDerWaalsContact C-N 3.26Å; V75-S77 PolarHBondContact O-N 3.37Å
78	E	72.7	Confident	81.2	Confident	167 Å²	167	71.7 Å²	71.7	78%	0.78	41%	0.414	S	S	*	.	S	Bend	trans	-95.3	-3	178.2	-60.3	-61.8	138.9	0	0	113	V75 E76	V75-E78 PolarHBondContact O-N 3.32Å; E76-E78 VanDerWaalsContact C-N 3.3Å; E76-E78 PolarHBondContact O-N 3.27Å
79	A	78.9	Confident	81.5	Confident	26 Å²	26	71 Å²	71	22%	0.215	41%	0.407	C	S	.	.			trans	-84.4	137.7	-179.5	0	0	0	0	0	111.9	K56 V75 E76 V82	K56-A79 PolarHBondContact NZ-O 3.23Å; V75-A79 PolarHBondContact O-N 2.87Å; E76-A79 PolarHBondContact O-N 3.31Å; A79-V82 HydrophobicContact CB-CG2 4.27Å
80	D	82.4	Confident	81.7	Confident	129 Å²	129	72.7 Å²	72.7	69%	0.69	42%	0.418	S	S	*	.	S	Bend	trans	-81	-23.1	171.5	-67.1	-30.3	0	0	0	112.2	T44	T44-D80 PolarHBondContact N-O 3.02Å
81	E	91.3	Very high	82.1	Confident	94 Å²	94	71.5 Å²	71.5	44%	0.439	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.9	-179.2	-169	169.2	149.5	0	0	110.4	T44 V46 K51	T44-E81 CarbonylContact O-C 3.45Å; T44-E81 VanDerWaalsContact O-CA 3.3Å; T44-E81 WeakPolarHBondContact O-CA 3.3Å; V46-E81 HydrophobicContact CG2-CG 3.53Å; V46-E81 VanDerWaalsContact CG2-OE1 3.26Å; V46-E81 WeakPolarHBondContact CG2-OE1 3.4Å; K51-E81 WeakPolarHBondContact CE-OE1 3.24Å; K51-E81 IonicContact NZ-OE1 2.92Å; K51-E81 PolarHBondContact NZ-OE1 2.9Å; K51-E81 IonicContact NZ-OE2 3.92Å; K51-E81 PolarHBondContact NZ-OE2 3.28Å
82	V	90.6	Very high	82.7	Confident	7 Å²	7	67.6 Å²	67.6	4%	0.042	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.6	-177.5	178.5	0	0	0	0	109.9	V43 T44 L45 V46 M69 E76 A79 L84	V43-V82 HydrophobicContact CG2-CG2 4.06Å; T44-V82 PolarHBondContact O-N 3.32Å; L45-V82 CarbonylContact C-O 3.55Å; L45-V82 WeakPolarHBondContact CA-O 3.42Å; L45-V82 HydrophobicContact CD2-CB 4.09Å; L45-V82 HydrophobicContact CD2-CG1 4.5Å; V46-V82 PolarHBondContact N-O 3.44Å; M69-V82 HydrophobicContact CE-CG1 4.2Å; M69-V82 HydrophobicContact SD-CG1 3.85Å; E76-V82 HydrophobicContact CB-CG2 4.12Å; E76-V82 HydrophobicContact CG-CG1 4.21Å; E76-V82 HydrophobicContact CG-CG2 4.4Å; A79-V82 HydrophobicContact CB-CG2 4.27Å; V82-L84 HydrophobicContact CG1-CD2 4.33Å
83	T	91.2	Very high	83.9	Confident	77 Å²	77	66.9 Å²	66.9	47%	0.472	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	115.6	178.3	-53.5	0	0	0	0	111	V46 Q85	V46-T83 HydrophobicContact CB-CG2 4.34Å; V46-T83 WeakPolarHBondContact O-CA 3.47Å; T83-Q85 PolarHBondContact O-N 3.49Å
84	L	91	Very high	85.4	Confident	5 Å²	5	63.1 Å²	63.1	3%	0.026	35%	0.347	C	S	.	.			trans	-86.9	105	178.5	-63.1	177.2	0	0	0	110.1	L45 V46 Y65 F66 M69 V82 V87 L92 L121	L45-L84 HydrophobicContact CB-CD1 4.27Å; L45-L84 HydrophobicContact CD1-CD1 4.1Å; L45-L84 HydrophobicContact CD2-CD1 4.23Å; L45-L84 HydrophobicContact CD2-CG 4.45Å; L45-L84 HydrophobicContact CG-CD1 4.44Å; V46-L84 PolarHBondContact O-N 2.95Å; Y65-L84 HydrophobicContact CE1-CD2 4.07Å; F66-L84 HydrophobicContact CE1-CD1 4.36Å; F66-L84 HydrophobicContact CE1-CD2 4.32Å; F66-L84 HydrophobicContact CZ-CD1 4.11Å; M69-L84 HydrophobicContact CE-CD2 4.16Å; V82-L84 HydrophobicContact CG1-CD2 4.33Å; L84-V87 HydrophobicContact CB-CB 4.35Å; L84-V87 HydrophobicContact CB-CG2 4.35Å; L84-L92 HydrophobicContact CD1-CD1 3.81Å; L84-L92 HydrophobicContact CD1-CD2 3.99Å; L84-L121 HydrophobicContact CD1-CD2 4.2Å
85	Q	87.8	Confident	86.9	Confident	146 Å²	146	58.5 Å²	58.5	68%	0.682	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	129.6	177.2	-62	-64	-27.7	0	0	110.4	T83 H120	T83-Q85 PolarHBondContact O-N 3.49Å; Q85-H120 PolarHBondContact O-CE1 2.65Å; Q85-H120 VanDerWaalsContact O-CE1 3.3Å
86	G	83.9	Confident	88.3	Confident	62 Å²	62	52.7 Å²	52.7	64%	0.639	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	6.7	177.2	0	0	0	0	0	115.5
87	V	92.3	Very high	89.5	Confident	8 Å²	8	51.9 Å²	51.9	5%	0.048	29%	0.288	C	S	.	.			trans	-111.1	130.3	172.7	-173.5	0	0	0	0	109.5	A47 L84 L92 A117 H120 L121	A47-V87 WeakPolarHBondContact CB-O 3.36Å; L84-V87 HydrophobicContact CB-CB 4.35Å; L84-V87 HydrophobicContact CB-CG2 4.35Å; V87-L92 HydrophobicContact CG1-CB 3.88Å; V87-A117 HydrophobicContact CG1-CB 3.84Å; V87-H120 HydrophobicContact CG2-CB 4.05Å; V87-H120 VanDerWaalsContact CG2-CD2 3.42Å; V87-H120 WeakPolarHBondContact CG2-CD2 3.35Å; V87-L121 HydrophobicContact CG2-CD2 4.48Å
88	T	94.4	Very high	90.7	Very high	56 Å²	56	51.5 Å²	51.5	34%	0.344	28%	0.284	S	S	.	.			trans	-77.5	152	176.5	65	0	0	0	0	110.8	V90 G91 L92 D113	T88-V90 PolarHBondContact O-N 2.89Å; T88-G91 PolarHBondContact O-N 3.48Å; T88-G91 PolarHBondContact OG1-N 3.33Å; T88-L92 WeakPolarHBondContact O-CB 3.19Å; T88-L92 PolarHBondContact O-N 3.29Å; T88-D113 WeakPolarHBondContact CB-OD1 3.41Å; T88-D113 VanDerWaalsContact CG2-OD1 3.25Å; T88-D113 WeakPolarHBondContact CG2-OD1 3.19Å; T88-D113 PolarHBondContact OG1-OD1 2.79Å
89	S	94.8	Very high	91.8	Very high	28 Å²	28	44.1 Å²	44.1	20%	0.196	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-34.9	177.5	54.5	0	0	0	0	112.2	F52 K93	F52-S89 WeakPolarHBondContact CZ-O 3.44Å; S89-K93 VanDerWaalsContact O-CB 3.31Å; S89-K93 WeakPolarHBondContact O-CB 3.48Å; S89-K93 PolarHBondContact O-N 3.39Å
90	V	94.1	Very high	92.5	Very high	57 Å²	57	43 Å²	43	35%	0.345	24%	0.241	S	C	.	.	H	α-helix	trans	-65.5	-49.9	175.7	-179.5	0	0	0	0	111	T88 K93 H94 V110 D113	T88-V90 PolarHBondContact O-N 2.89Å; V90-K93 PolarHBondContact O-N 3.46Å; V90-H94 PolarHBondContact O-N 3.04Å; V90-H94 PolarHBondContact O-ND1 3.25Å; V90-V110 HydrophobicContact CG1-CB 4.33Å; V90-V110 HydrophobicContact CG1-CG1 4.04Å; V90-D113 HydrophobicContact CB-CB 4.43Å; V90-D113 HydrophobicContact CG1-CB 4.38Å
91	G	94.4	Very high	93	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-44.2	178.7	0	0	0	0	0	112.2	T88 K93 H94 A95 A117	T88-G91 PolarHBondContact O-N 3.48Å; T88-G91 PolarHBondContact OG1-N 3.33Å; G91-K93 PolarHBondContact O-N 3.21Å; G91-H94 PolarHBondContact O-N 3.37Å; G91-A95 WeakPolarHBondContact O-CB 3.48Å; G91-A95 PolarHBondContact O-N 2.72Å; G91-A117 VanDerWaalsContact C-CB 3.46Å
92	L	95.5	Very high	93	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-42.6	177.4	-177.8	60.6	0	0	0	111.9	L45 A47 F52 L84 V87 T88 H94 A95 L96 L121	L45-L92 HydrophobicContact CB-CD2 4.03Å; L45-L92 HydrophobicContact CD1-CD1 4.18Å; A47-L92 HydrophobicContact CB-CB 4.15Å; A47-L92 HydrophobicContact CB-CD2 3.54Å; F52-L92 HydrophobicContact CD2-CD2 3.56Å; F52-L92 HydrophobicContact CD2-CG 4.25Å; F52-L92 HydrophobicContact CE2-CD2 3.94Å; F52-L92 HydrophobicContact CE2-CG 4.45Å; F52-L92 HydrophobicContact CG-CD2 4.27Å; L84-L92 HydrophobicContact CD1-CD1 3.81Å; L84-L92 HydrophobicContact CD1-CD2 3.99Å; V87-L92 HydrophobicContact CG1-CB 3.88Å; T88-L92 WeakPolarHBondContact O-CB 3.19Å; T88-L92 PolarHBondContact O-N 3.29Å; L92-H94 PolarHBondContact O-N 3.44Å; L92-A95 PolarHBondContact O-N 3Å; L92-L96 HydrophobicContact CD1-CD1 4.22Å; L92-L96 HydrophobicContact CD1-CD2 4.48Å; L92-L96 HydrophobicContact CD1-CG 4.03Å; L92-L96 HydrophobicContact CG-CD1 4Å; L92-L96 HydrophobicContact CG-CG 4.24Å; L92-L96 WeakPolarHBondContact O-CB 3.36Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.45Å; L92-L96 PolarHBondContact O-N 2.81Å; L92-L121 HydrophobicContact CD1-CD1 3.9Å
93	K	94.8	Very high	93.1	Very high	106 Å²	106	43.6 Å²	43.6	46%	0.461	26%	0.255	S	S	.	.	H	α-helix	trans	-57.1	-49.3	177.7	-177.2	-176.2	173.9	-171.3	0	111.5	F52 S89 V90 G91 L96 D97	F52-K93 HydrophobicContact CE1-CB 3.82Å; F52-K93 HydrophobicContact CE1-CG 4.19Å; F52-K93 HydrophobicContact CZ-CB 4.19Å; S89-K93 VanDerWaalsContact O-CB 3.31Å; S89-K93 WeakPolarHBondContact O-CB 3.48Å; S89-K93 PolarHBondContact O-N 3.39Å; V90-K93 PolarHBondContact O-N 3.46Å; G91-K93 PolarHBondContact O-N 3.21Å; K93-L96 PolarHBondContact O-N 3.49Å; K93-D97 WeakPolarHBondContact O-CB 3.29Å; K93-D97 VanDerWaalsContact O-CG 3.29Å; K93-D97 PolarHBondContact O-N 3.39Å
94	H	95.3	Very high	93.2	Very high	42 Å²	42	41.9 Å²	41.9	19%	0.194	24%	0.243	C	C	.	.	H	α-helix	trans	-65.6	-39.8	179.1	-72.2	83	0	0	0	112.2	V90 G91 L92 L96 D97 F98 I104 V114	V90-H94 PolarHBondContact O-N 3.04Å; V90-H94 PolarHBondContact O-ND1 3.25Å; G91-H94 PolarHBondContact O-N 3.37Å; L92-H94 PolarHBondContact O-N 3.44Å; H94-L96 VanDerWaalsContact C-N 3.34Å; H94-L96 PolarHBondContact O-N 2.99Å; H94-D97 PolarHBondContact O-N 3.27Å; H94-F98 WeakPolarHBondContact O-CB 3.4Å; H94-F98 PolarHBondContact O-N 3.41Å; H94-I104 HydrophobicContact CB-CD1 4.05Å; H94-V114 HydrophobicContact CB-CG2 3.84Å
95	A	95.3	Very high	93.2	Very high	3 Å²	3	47.5 Å²	47.5	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-60.9	-42.4	175.3	0	0	0	0	0	112.1	G91 L92 F98 A99 A117 L121 L123 L126	G91-A95 WeakPolarHBondContact O-CB 3.48Å; G91-A95 PolarHBondContact O-N 2.72Å; L92-A95 PolarHBondContact O-N 3Å; A95-F98 PolarHBondContact O-N 2.87Å; A95-A99 WeakPolarHBondContact O-CB 3.31Å; A95-A99 PolarHBondContact O-N 3.32Å; A95-A117 HydrophobicContact CB-CB 4.43Å; A95-L121 HydrophobicContact CB-CD1 4.04Å; A95-L123 HydrophobicContact CB-CD1 3.64Å; A95-L126 HydrophobicContact CB-CD2 4.34Å
96	L	94.9	Very high	93.3	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-69.9	-42.1	176.2	-67.7	176.6	0	0	0	112	R35 L45 F52 A54 L59 L92 K93 H94 F98 A99 Y100	R35-L96 VanDerWaalsContact NH1-CB 3.35Å; L45-L96 HydrophobicContact CD1-CD2 4.08Å; F52-L96 HydrophobicContact CB-CD1 3.53Å; F52-L96 HydrophobicContact CD1-CD1 4.1Å; F52-L96 HydrophobicContact CG-CD1 3.92Å; A54-L96 HydrophobicContact CB-CD2 4.39Å; L59-L96 HydrophobicContact CD2-CD2 3.46Å; L59-L96 VanDerWaalsContact CD2-CD2 3.46Å; L92-L96 HydrophobicContact CD1-CD1 4.22Å; L92-L96 HydrophobicContact CD1-CD2 4.48Å; L92-L96 HydrophobicContact CD1-CG 4.03Å; L92-L96 HydrophobicContact CG-CD1 4Å; L92-L96 HydrophobicContact CG-CG 4.24Å; L92-L96 WeakPolarHBondContact O-CB 3.36Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.45Å; L92-L96 PolarHBondContact O-N 2.81Å; K93-L96 PolarHBondContact O-N 3.49Å; H94-L96 VanDerWaalsContact C-N 3.34Å; H94-L96 PolarHBondContact O-N 2.99Å; L96-F98 VanDerWaalsContact C-N 3.26Å; L96-F98 PolarHBondContact O-N 3.3Å; L96-A99 PolarHBondContact O-N 3.01Å; L96-Y100 VanDerWaalsContact O-CD2 3.29Å; L96-Y100 WeakPolarHBondContact O-CD2 3.28Å; L96-Y100 PolarHBondContact O-N 3.09Å
97	D	94.4	Very high	93.6	Very high	52 Å²	52	43.7 Å²	43.7	28%	0.278	24%	0.238	S	C	.	.	H	α-helix	trans	-61.1	-40.3	175.9	-71.7	-17.2	0	0	0	110.6	R35 K93 H94 Y100 T101	R35-D97 IonicContact CZ-OD1 3.82Å; R35-D97 IonicContact NH1-OD1 3.67Å; R35-D97 PolarHBondContact NH1-OD1 3.33Å; R35-D97 IonicContact NH2-OD1 2.69Å; R35-D97 PolarHBondContact NH2-OD1 2.89Å; K93-D97 WeakPolarHBondContact O-CB 3.29Å; K93-D97 VanDerWaalsContact O-CG 3.29Å; K93-D97 PolarHBondContact O-N 3.39Å; H94-D97 PolarHBondContact O-N 3.27Å; D97-Y100 PolarHBondContact O-N 3.47Å; D97-T101 WeakPolarHBondContact O-CB 3.46Å; D97-T101 WeakPolarHBondContact O-CG2 3.35Å; D97-T101 PolarHBondContact O-N 3.5Å; D97-T101 PolarHBondContact O-OG1 2.99Å
98	F	95.4	Very high	93.3	Very high	15 Å²	15	48.2 Å²	48.2	7%	0.066	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-49.5	172.6	175.1	-102	0	0	0	112.2	H94 A95 L96 Y100 T101 G102 Q103 I104 E125 L126 L129	H94-F98 WeakPolarHBondContact O-CB 3.4Å; H94-F98 PolarHBondContact O-N 3.41Å; A95-F98 PolarHBondContact O-N 2.87Å; L96-F98 VanDerWaalsContact C-N 3.26Å; L96-F98 PolarHBondContact O-N 3.3Å; F98-Y100 PolarHBondContact O-N 2.76Å; F98-T101 PolarHBondContact O-N 3.48Å; F98-T101 VanDerWaalsContact O-N 3.12Å; F98-G102 WeakPolarHBondContact O-CA 3.16Å; F98-G102 PolarHBondContact O-N 3.43Å; F98-Q103 WeakPolarHBondContact CA-O 3.36Å; F98-I104 HydrophobicContact CD2-CB 4.42Å; F98-E125 HydrophobicContact CE1-CB 4.36Å; F98-E125 HydrophobicContact CZ-CB 3.93Å; F98-L126 HydrophobicContact CB-CD1 4.42Å; F98-L126 HydrophobicContact CD1-CB 3.96Å; F98-L126 HydrophobicContact CD1-CD1 4.41Å; F98-L126 HydrophobicContact CD2-CD1 4.34Å; F98-L126 HydrophobicContact CE1-CB 3.9Å; F98-L126 HydrophobicContact CG-CB 4.48Å; F98-L126 HydrophobicContact CG-CD1 4.12Å; F98-L126 HydrophobicContact CZ-CB 4.38Å; F98-L129 HydrophobicContact CD2-CD1 4.37Å; F98-L129 HydrophobicContact CE2-CD1 3.65Å; F98-L129 HydrophobicContact CZ-CD1 4.35Å
99	A	94.9	Very high	93.1	Very high	12 Å²	12	49.7 Å²	49.7	10%	0.099	29%	0.286	C	S	.	.	H	α-helix	trans	-55.7	-28.9	179.7	0	0	0	0	0	113.5	C62 A95 L96	C62-A99 VanDerWaalsContact SG-CB 3.59Å; A95-A99 WeakPolarHBondContact O-CB 3.31Å; A95-A99 PolarHBondContact O-N 3.32Å; L96-A99 PolarHBondContact O-N 3.01Å
100	Y	94.8	Very high	93	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-0.6	-177.3	-80.5	-95.5	0	0	0	114.9	L28 L31 N32 R35 H55 V58 L96 D97 F98	L28-Y100 WeakPolarHBondContact CG-O 3.43Å; L31-Y100 HydrophobicContact CB-CD1 4.18Å; L31-Y100 HydrophobicContact CB-CE1 4.15Å; L31-Y100 WeakPolarHBondContact O-CE1 3.47Å; N32-Y100 HydrophobicContact CB-CD1 4.1Å; N32-Y100 HydrophobicContact CB-CG 4.44Å; R35-Y100 HydrophobicContact CB-CD1 4.42Å; R35-Y100 HydrophobicContact CB-CE1 3.95Å; R35-Y100 HydrophobicContact CG-CE1 4.47Å; H55-Y100 VanDerWaalsContact CB-OH 3.27Å; H55-Y100 WeakPolarHBondContact CB-OH 3.23Å; H55-Y100 VanDerWaalsContact CG-OH 3.23Å; H55-Y100 PolarHBondContact N-OH 3.32Å; H55-Y100 AromaticContact ND1-CE1 3.4Å; H55-Y100 WeakPolarHBondContact ND1-CE1 3.43Å; H55-Y100 AromaticContact ND1-CZ 3.57Å; H55-Y100 PolarHBondContact ND1-OH 2.86Å; V58-Y100 HydrophobicContact CB-CE1 4.22Å; V58-Y100 HydrophobicContact CB-CE2 4.16Å; V58-Y100 HydrophobicContact CG1-CD1 4.24Å; V58-Y100 HydrophobicContact CG1-CD2 3.98Å; V58-Y100 HydrophobicContact CG1-CE1 4.01Å; V58-Y100 HydrophobicContact CG1-CE2 3.69Å; V58-Y100 HydrophobicContact CG1-CG 4.26Å; V58-Y100 HydrophobicContact CG2-CE1 3.95Å; L96-Y100 VanDerWaalsContact O-CD2 3.29Å; L96-Y100 WeakPolarHBondContact O-CD2 3.28Å; L96-Y100 PolarHBondContact O-N 3.09Å; D97-Y100 PolarHBondContact O-N 3.47Å; F98-Y100 PolarHBondContact O-N 2.76Å
101	T	92.9	Very high	93	Very high	50 Å²	50	47.6 Å²	47.6	31%	0.307	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	-19	-179.5	63.6	0	0	0	0	113.8	N32 D97 F98 Q103	N32-T101 VanDerWaalsContact ND2-CG2 3.28Å; N32-T101 WeakPolarHBondContact ND2-CG2 3.21Å; D97-T101 WeakPolarHBondContact O-CB 3.46Å; D97-T101 WeakPolarHBondContact O-CG2 3.35Å; D97-T101 PolarHBondContact O-N 3.5Å; D97-T101 PolarHBondContact O-OG1 2.99Å; F98-T101 PolarHBondContact O-N 3.48Å; F98-T101 VanDerWaalsContact O-N 3.12Å; T101-Q103 PolarHBondContact O-N 3.36Å; T101-Q103 PolarHBondContact OG1-N 3.49Å; T101-Q103 VanDerWaalsContact OG1-N 3.11Å; T101-Q103 PolarHBondContact OG1-O 2.95Å
102	G	91.1	Very high	92.8	Very high	46 Å²	46	54.3 Å²	54.3	47%	0.474	30%	0.302	S	S	.	.	S	Bend	trans	65.4	10.7	-167.3	0	0	0	0	0	113.3	F98	F98-G102 WeakPolarHBondContact O-CA 3.16Å; F98-G102 PolarHBondContact O-N 3.43Å
103	Q	91.7	Very high	92.8	Very high	148 Å²	148	56.5 Å²	56.5	69%	0.692	31%	0.314	S	S	*	.			trans	-125	145.9	-173.8	-64	177	10	0	0	110.4	F98 T101	F98-Q103 WeakPolarHBondContact CA-O 3.36Å; T101-Q103 PolarHBondContact O-N 3.36Å; T101-Q103 PolarHBondContact OG1-N 3.49Å; T101-Q103 VanDerWaalsContact OG1-N 3.11Å; T101-Q103 PolarHBondContact OG1-O 2.95Å
104	I	93.2	Very high	92.8	Very high	40 Å²	40	51.4 Å²	51.4	21%	0.205	29%	0.292	C	S	.	.			trans	-143.3	139.3	172.5	-173.1	165.4	0	0	0	110	H94 F98 L106 V114 L126 L129	H94-I104 HydrophobicContact CB-CD1 4.05Å; F98-I104 HydrophobicContact CD2-CB 4.42Å; I104-L106 HydrophobicContact CD1-CD2 3.64Å; I104-L106 HydrophobicContact CG1-CD2 3.89Å; I104-L106 HydrophobicContact CG1-CG 4.37Å; I104-L106 HydrophobicContact CG2-CD2 4.25Å; I104-L106 HydrophobicContact CG2-CG 4.16Å; I104-V114 HydrophobicContact CD1-CG1 3.55Å; I104-V114 HydrophobicContact CD1-CG2 4.29Å; I104-L126 HydrophobicContact CB-CD1 4.39Å; I104-L126 HydrophobicContact CD1-CD1 3.41Å; I104-L126 VanDerWaalsContact CD1-CD1 3.41Å; I104-L126 HydrophobicContact CG1-CD1 4.48Å; I104-L126 HydrophobicContact CG2-CD1 4.12Å; I104-L129 HydrophobicContact CG2-CD1 4.08Å
105	L	90.9	Very high	92.8	Very high	124 Å²	124	49.5 Å²	49.5	65%	0.649	28%	0.283	S	S	*	.			trans	-95.6	116.2	167.7	-178.1	65.4	0	0	0	107.9
106	L	90.7	Very high	92.8	Very high	28 Å²	28	51.4 Å²	51.4	15%	0.147	30%	0.296	C	S	.	.			trans	-99.4	127.3	180	-64.4	175.2	0	0	0	110	I104 I111 V114 Y133	I104-L106 HydrophobicContact CD1-CD2 3.64Å; I104-L106 HydrophobicContact CG1-CD2 3.89Å; I104-L106 HydrophobicContact CG1-CG 4.37Å; I104-L106 HydrophobicContact CG2-CD2 4.25Å; I104-L106 HydrophobicContact CG2-CG 4.16Å; L106-I111 HydrophobicContact CD1-CD1 4.35Å; L106-I111 HydrophobicContact CD2-CD1 3.85Å; L106-I111 HydrophobicContact CG-CD1 4.49Å; L106-V114 HydrophobicContact CD2-CG1 4.2Å; L106-Y133 HydrophobicContact CB-CD1 4.11Å; L106-Y133 HydrophobicContact CB-CD2 4.29Å; L106-Y133 HydrophobicContact CB-CE1 4.32Å; L106-Y133 HydrophobicContact CB-CG 4.09Å; L106-Y133 HydrophobicContact CD1-CD1 4.17Å; L106-Y133 HydrophobicContact CD1-CG 3.85Å
107	E	89.8	Confident	92.8	Very high	99 Å²	99	51.3 Å²	51.3	46%	0.463	30%	0.296	S	S	.	.			trans	-126.4	149.1	174.8	-55.8	178.7	159.3	0	0	109.6	A109 V110 I111	E107-A109 PolarHBondContact O-N 3.44Å; E107-A109 VanDerWaalsContact O-N 3.12Å; E107-V110 HydrophobicContact CB-CG2 4.06Å; E107-V110 WeakPolarHBondContact O-CG2 3.36Å; E107-V110 PolarHBondContact O-N 3.4Å; E107-V110 VanDerWaalsContact O-N 3.09Å; E107-I111 PolarHBondContact O-N 3.31Å; E107-I111 VanDerWaalsContact O-N 3.12Å
108	P	87.1	Confident	92.9	Very high	104 Å²	104	48.8 Å²	48.8	68%	0.675	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.1	-179.3	-26	34.1	0	0	0	113.8	V110 I111 Y133	P108-V110 VanDerWaalsContact C-N 3.34Å; P108-V110 PolarHBondContact O-N 2.94Å; P108-I111 WeakPolarHBondContact O-CG2 3.25Å; P108-Y133 WeakPolarHBondContact CD-OH 3.47Å
109	A	90	Very high	92.8	Very high	87 Å²	87	50.4 Å²	50.4	72%	0.719	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-24.9	-178.4	0	0	0	0	0	113.7	E107	E107-A109 PolarHBondContact O-N 3.44Å; E107-A109 VanDerWaalsContact O-N 3.12Å
110	V	91.6	Very high	92.8	Very high	20 Å²	20	53.1 Å²	53.1	12%	0.121	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-10.5	-173.7	-57.8	0	0	0	0	113.4	V90 E107 P108 Q112 D113 V114	V90-V110 HydrophobicContact CG1-CB 4.33Å; V90-V110 HydrophobicContact CG1-CG1 4.04Å; E107-V110 HydrophobicContact CB-CG2 4.06Å; E107-V110 WeakPolarHBondContact O-CG2 3.36Å; E107-V110 PolarHBondContact O-N 3.4Å; E107-V110 VanDerWaalsContact O-N 3.09Å; P108-V110 VanDerWaalsContact C-N 3.34Å; P108-V110 PolarHBondContact O-N 2.94Å; V110-Q112 VanDerWaalsContact C-N 3.26Å; V110-Q112 PolarHBondContact O-N 3.48Å; V110-D113 WeakPolarHBondContact O-CB 3.49Å; V110-D113 PolarHBondContact O-N 3.23Å; V110-D113 VanDerWaalsContact O-N 3.09Å; V110-V114 HydrophobicContact CG2-CG2 4.36Å; V110-V114 WeakPolarHBondContact O-CG2 3.3Å; V110-V114 PolarHBondContact O-N 3.4Å
111	I	93.3	Very high	92.8	Very high	21 Å²	21	53.1 Å²	53.1	11%	0.108	31%	0.306	C	S	.	.	H	α-helix	trans	-56.7	-37.8	-172.7	-168.9	61.5	0	0	0	113.1	L106 E107 P108 V114 L115 C130 Y133 L134	L106-I111 HydrophobicContact CD1-CD1 4.35Å; L106-I111 HydrophobicContact CD2-CD1 3.85Å; L106-I111 HydrophobicContact CG-CD1 4.49Å; E107-I111 PolarHBondContact O-N 3.31Å; E107-I111 VanDerWaalsContact O-N 3.12Å; P108-I111 WeakPolarHBondContact O-CG2 3.25Å; I111-V114 PolarHBondContact O-N 2.93Å; I111-L115 HydrophobicContact CG1-CD1 4.09Å; I111-L115 HydrophobicContact CG1-CG 4.44Å; I111-L115 WeakPolarHBondContact O-CB 3.39Å; I111-L115 VanDerWaalsContact O-CG 3.31Å; I111-L115 WeakPolarHBondContact O-CG 3.41Å; I111-L115 PolarHBondContact O-N 2.72Å; I111-C130 HydrophobicContact CD1-CB 3.96Å; I111-Y133 HydrophobicContact CD1-CD1 4.06Å; I111-Y133 HydrophobicContact CD1-CE1 4.47Å; I111-Y133 HydrophobicContact CG1-CD1 4.48Å; I111-L134 HydrophobicContact CG1-CD2 4.09Å; I111-L134 HydrophobicContact CG1-CG 4.43Å
112	Q	92.3	Very high	92.9	Very high	140 Å²	140	55.2 Å²	55.2	65%	0.654	31%	0.313	S	S	*	.	H	α-helix	trans	-68.6	-40.2	179.8	-171.1	175.3	2.5	0	0	112	V110 L115 S116	V110-Q112 VanDerWaalsContact C-N 3.26Å; V110-Q112 PolarHBondContact O-N 3.48Å; Q112-L115 PolarHBondContact O-N 3.07Å; Q112-S116 WeakPolarHBondContact O-CB 3.45Å; Q112-S116 PolarHBondContact O-N 3.37Å
113	D	93.9	Very high	93.1	Very high	46 Å²	46	53.3 Å²	53.3	25%	0.246	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-43.7	174	-75.3	-56.9	0	0	0	111.3	T88 V90 V110 S116 A117	T88-D113 WeakPolarHBondContact CB-OD1 3.41Å; T88-D113 VanDerWaalsContact CG2-OD1 3.25Å; T88-D113 WeakPolarHBondContact CG2-OD1 3.19Å; T88-D113 PolarHBondContact OG1-OD1 2.79Å; V90-D113 HydrophobicContact CB-CB 4.43Å; V90-D113 HydrophobicContact CG1-CB 4.38Å; V110-D113 WeakPolarHBondContact O-CB 3.49Å; V110-D113 PolarHBondContact O-N 3.23Å; V110-D113 VanDerWaalsContact O-N 3.09Å; D113-S116 PolarHBondContact O-N 2.87Å; D113-A117 WeakPolarHBondContact O-CB 3.34Å; D113-A117 PolarHBondContact O-N 3.36Å
114	V	95.8	Very high	93.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-44	178.8	176.9	0	0	0	0	111.1	H94 I104 L106 V110 I111 A117 G118 L126	H94-V114 HydrophobicContact CB-CG2 3.84Å; I104-V114 HydrophobicContact CD1-CG1 3.55Å; I104-V114 HydrophobicContact CD1-CG2 4.29Å; L106-V114 HydrophobicContact CD2-CG1 4.2Å; V110-V114 HydrophobicContact CG2-CG2 4.36Å; V110-V114 WeakPolarHBondContact O-CG2 3.3Å; V110-V114 PolarHBondContact O-N 3.4Å; I111-V114 PolarHBondContact O-N 2.93Å; V114-A117 PolarHBondContact O-N 3.25Å; V114-G118 PolarHBondContact O-N 2.83Å; V114-L126 HydrophobicContact CG1-CD1 4.01Å; V114-L126 HydrophobicContact CG1-CD2 4.19Å; V114-L126 HydrophobicContact CG1-CG 4.26Å
115	L	95.3	Very high	93.2	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-43.7	176.1	-78.6	170.8	0	0	0	111.9	I111 Q112 A117 G118 S119 L127 C130 L134 V149 F153 L155	I111-L115 HydrophobicContact CG1-CD1 4.09Å; I111-L115 HydrophobicContact CG1-CG 4.44Å; I111-L115 WeakPolarHBondContact O-CB 3.39Å; I111-L115 VanDerWaalsContact O-CG 3.31Å; I111-L115 WeakPolarHBondContact O-CG 3.41Å; I111-L115 PolarHBondContact O-N 2.72Å; Q112-L115 PolarHBondContact O-N 3.07Å; L115-A117 PolarHBondContact O-N 3.21Å; L115-G118 PolarHBondContact O-N 2.97Å; L115-S119 VanDerWaalsContact O-CB 3.3Å; L115-S119 WeakPolarHBondContact O-CB 3.44Å; L115-S119 PolarHBondContact O-N 2.79Å; L115-L127 HydrophobicContact CD2-CD2 3.79Å; L115-C130 HydrophobicContact CD2-CB 3.52Å; L115-C130 HydrophobicContact CG-CB 4.18Å; L115-L134 HydrophobicContact CD1-CD1 4.02Å; L115-V149 HydrophobicContact CD1-CG1 3.59Å; L115-F153 HydrophobicContact CB-CD1 4.2Å; L115-F153 HydrophobicContact CB-CD2 3.88Å; L115-F153 HydrophobicContact CB-CE1 4.1Å; L115-F153 HydrophobicContact CB-CE2 3.75Å; L115-F153 HydrophobicContact CB-CG 4.1Å; L115-F153 HydrophobicContact CB-CZ 3.86Å; L115-F153 HydrophobicContact CD1-CD2 3.91Å; L115-F153 HydrophobicContact CD1-CE2 4.01Å; L115-F153 HydrophobicContact CG-CD2 4.38Å; L115-L155 HydrophobicContact CD2-CD1 3.87Å
116	S	94.7	Very high	93.4	Very high	43 Å²	43	51.4 Å²	51.4	30%	0.301	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-45.2	176.3	-168.5	0	0	0	0	111.6	Q112 D113 H120	Q112-S116 WeakPolarHBondContact O-CB 3.45Å; Q112-S116 PolarHBondContact O-N 3.37Å; D113-S116 PolarHBondContact O-N 2.87Å; S116-H120 VanDerWaalsContact O-CB 3.24Å; S116-H120 WeakPolarHBondContact O-CB 3.49Å; S116-H120 PolarHBondContact O-N 3.27Å
117	A	95.3	Very high	93.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-46.6	175.8	0	0	0	0	0	111.9	V87 G91 A95 D113 V114 L115 S119 H120 L121	V87-A117 HydrophobicContact CG1-CB 3.84Å; G91-A117 VanDerWaalsContact C-CB 3.46Å; A95-A117 HydrophobicContact CB-CB 4.43Å; D113-A117 WeakPolarHBondContact O-CB 3.34Å; D113-A117 PolarHBondContact O-N 3.36Å; V114-A117 PolarHBondContact O-N 3.25Å; L115-A117 PolarHBondContact O-N 3.21Å; A117-S119 VanDerWaalsContact C-N 3.35Å; A117-S119 PolarHBondContact O-N 3.16Å; A117-H120 PolarHBondContact O-N 3.12Å; A117-L121 WeakPolarHBondContact O-CB 3.36Å; A117-L121 WeakPolarHBondContact O-CG 3.24Å; A117-L121 PolarHBondContact O-N 3.06Å
118	G	95.6	Very high	93.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-41.2	179.8	0	0	0	0	0	112.8	V114 L115 Q122 L123	V114-G118 PolarHBondContact O-N 2.83Å; L115-G118 PolarHBondContact O-N 2.97Å; G118-Q122 WeakPolarHBondContact O-CA 3.19Å; G118-Q122 PolarHBondContact O-N 2.92Å; G118-L123 PolarHBondContact O-N 2.91Å
119	S	95	Very high	94.3	Very high	49 Å²	49	47.4 Å²	47.4	34%	0.343	26%	0.262	S	S	.	.	H	α-helix	trans	-68.5	-47.5	176.3	-175	0	0	0	0	111.7	L115 A117 L121 Q122	L115-S119 VanDerWaalsContact O-CB 3.3Å; L115-S119 WeakPolarHBondContact O-CB 3.44Å; L115-S119 PolarHBondContact O-N 2.79Å; A117-S119 VanDerWaalsContact C-N 3.35Å; A117-S119 PolarHBondContact O-N 3.16Å; S119-L121 VanDerWaalsContact C-N 3.35Å; S119-L121 PolarHBondContact O-N 2.84Å; S119-Q122 PolarHBondContact O-N 3.11Å
120	H	94.3	Very high	94.6	Very high	68 Å²	68	43.2 Å²	43.2	32%	0.315	23%	0.228	S	C	.	.	H	α-helix	trans	-64.5	-41.3	-179.2	-171.6	94.9	0	0	0	111.8	Q85 V87 S116 A117 Q122	Q85-H120 PolarHBondContact O-CE1 2.65Å; Q85-H120 VanDerWaalsContact O-CE1 3.3Å; V87-H120 HydrophobicContact CG2-CB 4.05Å; V87-H120 VanDerWaalsContact CG2-CD2 3.42Å; V87-H120 WeakPolarHBondContact CG2-CD2 3.35Å; S116-H120 VanDerWaalsContact O-CB 3.24Å; S116-H120 WeakPolarHBondContact O-CB 3.49Å; S116-H120 PolarHBondContact O-N 3.27Å; A117-H120 PolarHBondContact O-N 3.12Å; H120-Q122 VanDerWaalsContact C-N 3.31Å
121	L	95	Very high	94.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	5.7	-179	-56.5	175.1	0	0	0	113	S63 Y65 F66 L84 V87 L92 A95 A117 S119 L123	S63-L121 WeakPolarHBondContact CB-O 3.37Å; S63-L121 PolarHBondContact OG-O 3.26Å; Y65-L121 HydrophobicContact CD1-CD2 3.85Å; Y65-L121 HydrophobicContact CE1-CD2 3.88Å; F66-L121 HydrophobicContact CE1-CD2 4.33Å; F66-L121 HydrophobicContact CE2-CB 4.35Å; F66-L121 HydrophobicContact CE2-CD1 4.14Å; F66-L121 HydrophobicContact CE2-CD2 3.85Å; F66-L121 HydrophobicContact CE2-CG 4.34Å; F66-L121 HydrophobicContact CZ-CD1 4.29Å; F66-L121 HydrophobicContact CZ-CD2 3.6Å; F66-L121 HydrophobicContact CZ-CG 4.46Å; L84-L121 HydrophobicContact CD1-CD2 4.2Å; V87-L121 HydrophobicContact CG2-CD2 4.48Å; L92-L121 HydrophobicContact CD1-CD1 3.9Å; A95-L121 HydrophobicContact CB-CD1 4.04Å; A117-L121 WeakPolarHBondContact O-CB 3.36Å; A117-L121 WeakPolarHBondContact O-CG 3.24Å; A117-L121 PolarHBondContact O-N 3.06Å; S119-L121 VanDerWaalsContact C-N 3.35Å; S119-L121 PolarHBondContact O-N 2.84Å; L121-L123 VanDerWaalsContact C-N 3.3Å; L121-L123 HydrophobicContact CB-CD1 4.25Å; L121-L123 HydrophobicContact CB-CG 4.19Å; L121-L123 PolarHBondContact O-N 3.03Å
122	Q	95.1	Very high	94.8	Very high	95 Å²	95	45.3 Å²	45.3	44%	0.444	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	41.9	178.3	-59.2	-178.3	-18.8	0	0	114.1	Y65 G118 S119 H120 L124	Y65-Q122 VanDerWaalsContact N-OE1 3.16Å; G118-Q122 WeakPolarHBondContact O-CA 3.19Å; G118-Q122 PolarHBondContact O-N 2.92Å; S119-Q122 PolarHBondContact O-N 3.11Å; H120-Q122 VanDerWaalsContact C-N 3.31Å; Q122-L124 PolarHBondContact O-N 3.32Å
123	L	95.3	Very high	95	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.026	22%	0.216	C	C	.	.			trans	-89.6	81.6	176.3	-65.6	170.9	0	0	0	110.1	C62 A95 G118 L121 E125 L126 L127	C62-L123 HydrophobicContact CB-CD2 4.44Å; C62-L123 WeakPolarHBondContact O-CD2 3.36Å; A95-L123 HydrophobicContact CB-CD1 3.64Å; G118-L123 PolarHBondContact O-N 2.91Å; L121-L123 VanDerWaalsContact C-N 3.3Å; L121-L123 HydrophobicContact CB-CD1 4.25Å; L121-L123 HydrophobicContact CB-CG 4.19Å; L121-L123 PolarHBondContact O-N 3.03Å; L123-E125 PolarHBondContact O-N 2.84Å; L123-L126 HydrophobicContact CB-CB 3.8Å; L123-L126 HydrophobicContact CB-CD2 4.15Å; L123-L126 HydrophobicContact CD1-CD2 3.79Å; L123-L126 WeakPolarHBondContact O-CB 3.06Å; L123-L126 PolarHBondContact O-N 3.39Å; L123-L127 WeakPolarHBondContact O-CG 3.37Å; L123-L127 PolarHBondContact O-N 2.98Å; L123-L127 VanDerWaalsContact O-N 3.07Å
124	L	93.2	Very high	95	Very high	124 Å²	124	39.1 Å²	39.1	65%	0.649	21%	0.207	S	C	*	.	H	α-helix	trans	-63	-39.1	-172.4	-59.9	-178.5	0	0	0	113.8	Q122 L126 L127 S128	Q122-L124 PolarHBondContact O-N 3.32Å; L124-L126 VanDerWaalsContact C-N 3.32Å; L124-L126 PolarHBondContact O-N 3.5Å; L124-L127 HydrophobicContact CD2-CD1 4.49Å; L124-L127 PolarHBondContact O-N 3.42Å; L124-S128 PolarHBondContact O-N 3.31Å
125	E	93.9	Very high	95	Very high	148 Å²	148	41.7 Å²	41.7	69%	0.692	22%	0.221	S	C	*	.	H	α-helix	trans	-65	-38.3	177.4	-67.6	-172.2	175.3	0	0	112	F98 L123 S128 L129	F98-E125 HydrophobicContact CE1-CB 4.36Å; F98-E125 HydrophobicContact CZ-CB 3.93Å; L123-E125 PolarHBondContact O-N 2.84Å; E125-S128 WeakPolarHBondContact O-CB 3.31Å; E125-S128 PolarHBondContact O-N 3.39Å; E125-L129 WeakPolarHBondContact O-CG 3.37Å; E125-L129 PolarHBondContact O-N 3.12Å
126	L	95	Very high	95	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.1	-45.7	174.8	176.9	61.1	0	0	0	110.9	A95 F98 I104 V114 L123 L124 S128 L129 C130	A95-L126 HydrophobicContact CB-CD2 4.34Å; F98-L126 HydrophobicContact CB-CD1 4.42Å; F98-L126 HydrophobicContact CD1-CB 3.96Å; F98-L126 HydrophobicContact CD1-CD1 4.41Å; F98-L126 HydrophobicContact CD2-CD1 4.34Å; F98-L126 HydrophobicContact CE1-CB 3.9Å; F98-L126 HydrophobicContact CG-CB 4.48Å; F98-L126 HydrophobicContact CG-CD1 4.12Å; F98-L126 HydrophobicContact CZ-CB 4.38Å; I104-L126 HydrophobicContact CB-CD1 4.39Å; I104-L126 HydrophobicContact CD1-CD1 3.41Å; I104-L126 VanDerWaalsContact CD1-CD1 3.41Å; I104-L126 HydrophobicContact CG1-CD1 4.48Å; I104-L126 HydrophobicContact CG2-CD1 4.12Å; V114-L126 HydrophobicContact CG1-CD1 4.01Å; V114-L126 HydrophobicContact CG1-CD2 4.19Å; V114-L126 HydrophobicContact CG1-CG 4.26Å; L123-L126 HydrophobicContact CB-CB 3.8Å; L123-L126 HydrophobicContact CB-CD2 4.15Å; L123-L126 HydrophobicContact CD1-CD2 3.79Å; L123-L126 WeakPolarHBondContact O-CB 3.06Å; L123-L126 PolarHBondContact O-N 3.39Å; L124-L126 VanDerWaalsContact C-N 3.32Å; L124-L126 PolarHBondContact O-N 3.5Å; L126-S128 VanDerWaalsContact C-N 3.3Å; L126-S128 PolarHBondContact O-N 3Å; L126-L129 PolarHBondContact O-N 3.39Å; L126-C130 PolarHBondContact O-N 3.22Å; L126-C130 PolarHBondContact O-SG 3.32Å; L126-C130 VanDerWaalsContact O-SG 3.32Å
127	L	95.5	Very high	94.9	Very high	18 Å²	18	51.8 Å²	51.8	9%	0.094	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-38.4	175.9	-67.4	176.9	0	0	0	112.2	L115 L123 L124 C130 S131 L155	L115-L127 HydrophobicContact CD2-CD2 3.79Å; L123-L127 WeakPolarHBondContact O-CG 3.37Å; L123-L127 PolarHBondContact O-N 2.98Å; L123-L127 VanDerWaalsContact O-N 3.07Å; L124-L127 HydrophobicContact CD2-CD1 4.49Å; L124-L127 PolarHBondContact O-N 3.42Å; L127-C130 PolarHBondContact O-N 2.97Å; L127-S131 WeakPolarHBondContact O-CB 3.39Å; L127-S131 PolarHBondContact O-N 2.86Å; L127-L155 HydrophobicContact CB-CD2 4.08Å; L127-L155 HydrophobicContact CD2-CD2 4.38Å
128	S	94.8	Very high	94.8	Very high	61 Å²	61	53.4 Å²	53.4	43%	0.427	27%	0.271	S	S	.	.	H	α-helix	trans	-60	-45.8	173.3	153.1	0	0	0	0	112	L124 E125 L126 S131 N132	L124-S128 PolarHBondContact O-N 3.31Å; E125-S128 WeakPolarHBondContact O-CB 3.31Å; E125-S128 PolarHBondContact O-N 3.39Å; L126-S128 VanDerWaalsContact C-N 3.3Å; L126-S128 PolarHBondContact O-N 3Å; S128-S131 WeakPolarHBondContact O-CB 3.45Å; S128-S131 PolarHBondContact O-N 3.1Å; S128-N132 PolarHBondContact O-N 2.87Å; S128-N132 PolarHBondContact O-ND2 3.18Å
129	L	95	Very high	94.7	Very high	68 Å²	68	55.3 Å²	55.3	36%	0.356	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-44	176.5	-68.9	174	0	0	0	111.8	F98 I104 E125 L126 S131 N132 Y133	F98-L129 HydrophobicContact CD2-CD1 4.37Å; F98-L129 HydrophobicContact CE2-CD1 3.65Å; F98-L129 HydrophobicContact CZ-CD1 4.35Å; I104-L129 HydrophobicContact CG2-CD1 4.08Å; E125-L129 WeakPolarHBondContact O-CG 3.37Å; E125-L129 PolarHBondContact O-N 3.12Å; L126-L129 PolarHBondContact O-N 3.39Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 2.95Å; L129-N132 PolarHBondContact O-N 3.16Å; L129-Y133 PolarHBondContact O-N 3.42Å
130	C	95.7	Very high	94.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-42.9	174.3	-66.8	0	0	0	0	111.8	I111 L115 L126 L127 N132 Y133 L134	I111-C130 HydrophobicContact CD1-CB 3.96Å; L115-C130 HydrophobicContact CD2-CB 3.52Å; L115-C130 HydrophobicContact CG-CB 4.18Å; L126-C130 PolarHBondContact O-N 3.22Å; L126-C130 PolarHBondContact O-SG 3.32Å; L126-C130 VanDerWaalsContact O-SG 3.32Å; L127-C130 PolarHBondContact O-N 2.97Å; C130-N132 PolarHBondContact O-N 2.85Å; C130-Y133 PolarHBondContact O-N 3.09Å; C130-L134 WeakPolarHBondContact O-CG 3.41Å; C130-L134 PolarHBondContact O-N 3.02Å
131	S	96.1	Very high	94	Very high	5 Å²	5	56.6 Å²	56.6	4%	0.035	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-46.5	176.8	-172.1	0	0	0	0	111.4	L127 S128 L129 Y133 L134 I135 L158	L127-S131 WeakPolarHBondContact O-CB 3.39Å; L127-S131 PolarHBondContact O-N 2.86Å; S128-S131 WeakPolarHBondContact O-CB 3.45Å; S128-S131 PolarHBondContact O-N 3.1Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 2.95Å; S131-Y133 VanDerWaalsContact C-N 3.34Å; S131-Y133 PolarHBondContact O-N 2.55Å; S131-L134 PolarHBondContact O-N 3.47Å; S131-I135 WeakPolarHBondContact O-CD1 3.18Å; S131-I135 WeakPolarHBondContact O-CG1 3.48Å; S131-I135 PolarHBondContact O-N 3.4Å; S131-L158 PolarHBondContact OG-N 3.38Å
132	N	95	Very high	93.9	Very high	80 Å²	80	58.1 Å²	58.1	43%	0.428	31%	0.309	S	S	.	.	H	α-helix	trans	-63.2	-39.9	178.8	-71.9	-30.6	0	0	0	112.6	S128 L129 C130 I135 Q136	S128-N132 PolarHBondContact O-N 2.87Å; S128-N132 PolarHBondContact O-ND2 3.18Å; L129-N132 PolarHBondContact O-N 3.16Å; C130-N132 PolarHBondContact O-N 2.85Å; N132-I135 PolarHBondContact O-N 3.14Å; N132-Q136 WeakPolarHBondContact O-CG 3.31Å; N132-Q136 PolarHBondContact O-N 3.33Å
133	Y	94.9	Very high	93.8	Very high	44 Å²	44	53.8 Å²	53.8	17%	0.173	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-47.8	173.7	171.8	-104.9	0	0	0	111.6	L106 P108 I111 L129 C130 S131 I135 Q136 E137	L106-Y133 HydrophobicContact CB-CD1 4.11Å; L106-Y133 HydrophobicContact CB-CD2 4.29Å; L106-Y133 HydrophobicContact CB-CE1 4.32Å; L106-Y133 HydrophobicContact CB-CG 4.09Å; L106-Y133 HydrophobicContact CD1-CD1 4.17Å; L106-Y133 HydrophobicContact CD1-CG 3.85Å; P108-Y133 WeakPolarHBondContact CD-OH 3.47Å; I111-Y133 HydrophobicContact CD1-CD1 4.06Å; I111-Y133 HydrophobicContact CD1-CE1 4.47Å; I111-Y133 HydrophobicContact CG1-CD1 4.48Å; L129-Y133 PolarHBondContact O-N 3.42Å; C130-Y133 PolarHBondContact O-N 3.09Å; S131-Y133 VanDerWaalsContact C-N 3.34Å; S131-Y133 PolarHBondContact O-N 2.55Å; Y133-I135 VanDerWaalsContact C-N 3.32Å; Y133-I135 PolarHBondContact O-N 2.7Å; Y133-Q136 WeakPolarHBondContact O-CB 3.36Å; Y133-Q136 PolarHBondContact O-N 3.5Å; Y133-Q136 VanDerWaalsContact O-N 3.15Å; Y133-E137 HydrophobicContact CE2-CG 4.29Å; Y133-E137 PolarHBondContact O-N 3.33Å
134	L	95.4	Very high	93.7	Very high	12 Å²	12	55 Å²	55	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-65.6	-33.1	179	-69	178.7	0	0	0	113.3	I111 L115 C130 S131 Q136 E137 L138 L146 V149 L158	I111-L134 HydrophobicContact CG1-CD2 4.09Å; I111-L134 HydrophobicContact CG1-CG 4.43Å; L115-L134 HydrophobicContact CD1-CD1 4.02Å; C130-L134 WeakPolarHBondContact O-CG 3.41Å; C130-L134 PolarHBondContact O-N 3.02Å; S131-L134 PolarHBondContact O-N 3.47Å; L134-Q136 VanDerWaalsContact C-N 3.31Å; L134-Q136 PolarHBondContact O-N 3.01Å; L134-E137 PolarHBondContact O-N 2.97Å; L134-L138 PolarHBondContact O-N 3.11Å; L134-L146 HydrophobicContact CB-CD2 4.31Å; L134-L146 HydrophobicContact CD1-CD2 4.49Å; L134-L146 HydrophobicContact CD2-CD2 3.78Å; L134-L146 HydrophobicContact CG-CD2 4.41Å; L134-V149 HydrophobicContact CD1-CG1 3.95Å; L134-L158 HydrophobicContact CB-CD1 3.86Å; L134-L158 HydrophobicContact CB-CD2 3.85Å; L134-L158 HydrophobicContact CD1-CD2 3.62Å; L134-L158 HydrophobicContact CG-CD2 4.4Å
135	I	95.8	Very high	93.6	Very high	54 Å²	54	55.2 Å²	55.2	28%	0.277	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-39.2	173.8	-69.8	161.1	0	0	0	110.8	S131 N132 Y133 E137 L138 A157 L158 A161	S131-I135 WeakPolarHBondContact O-CD1 3.18Å; S131-I135 WeakPolarHBondContact O-CG1 3.48Å; S131-I135 PolarHBondContact O-N 3.4Å; N132-I135 PolarHBondContact O-N 3.14Å; Y133-I135 VanDerWaalsContact C-N 3.32Å; Y133-I135 PolarHBondContact O-N 2.7Å; I135-E137 VanDerWaalsContact C-N 3.29Å; I135-E137 PolarHBondContact O-N 3.05Å; I135-L138 VanDerWaalsContact O-CB 3.27Å; I135-L138 WeakPolarHBondContact O-CB 3.46Å; I135-L138 PolarHBondContact O-N 3.34Å; I135-A157 HydrophobicContact CD1-CB 4.26Å; I135-L158 HydrophobicContact CG1-CB 4.44Å; I135-L158 HydrophobicContact CG1-CD1 3.78Å; I135-A161 HydrophobicContact CB-CB 4.5Å; I135-A161 HydrophobicContact CD1-CB 4.31Å; I135-A161 HydrophobicContact CG1-CB 3.78Å; I135-A161 HydrophobicContact CG2-CB 4.07Å
136	Q	93.8	Very high	93.7	Very high	154 Å²	154	48.9 Å²	48.9	72%	0.72	26%	0.264	S	S	*	.	H	α-helix	trans	-68.5	-28.6	179.4	-69.7	172.8	6.1	0	0	112.9	N132 Y133 L134	N132-Q136 WeakPolarHBondContact O-CG 3.31Å; N132-Q136 PolarHBondContact O-N 3.33Å; Y133-Q136 WeakPolarHBondContact O-CB 3.36Å; Y133-Q136 PolarHBondContact O-N 3.5Å; Y133-Q136 VanDerWaalsContact O-N 3.15Å; L134-Q136 VanDerWaalsContact C-N 3.31Å; L134-Q136 PolarHBondContact O-N 3.01Å
137	E	92.8	Very high	93.7	Very high	102 Å²	102	49.1 Å²	49.1	48%	0.477	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	1.7	178.4	-63.2	-61.7	139.5	0	0	113.2	Y133 L134 I135 S139 N142	Y133-E137 HydrophobicContact CE2-CG 4.29Å; Y133-E137 PolarHBondContact O-N 3.33Å; L134-E137 PolarHBondContact O-N 2.97Å; I135-E137 VanDerWaalsContact C-N 3.29Å; I135-E137 PolarHBondContact O-N 3.05Å; E137-S139 PolarHBondContact O-N 3.24Å; E137-N142 PolarHBondContact O-ND2 2.93Å
138	L	94.3	Very high	93.7	Very high	34 Å²	34	55.5 Å²	55.5	18%	0.178	29%	0.288	C	S	.	.			trans	-63.6	128.6	-177.6	-178.5	61	0	0	0	111.9	L134 I135 L146 A161 V162 F165	L134-L138 PolarHBondContact O-N 3.11Å; I135-L138 VanDerWaalsContact O-CB 3.27Å; I135-L138 WeakPolarHBondContact O-CB 3.46Å; I135-L138 PolarHBondContact O-N 3.34Å; L138-L146 HydrophobicContact CB-CD1 4.23Å; L138-L146 HydrophobicContact CD1-CD1 3.73Å; L138-A161 HydrophobicContact CD2-CB 4.29Å; L138-V162 HydrophobicContact CD1-CG2 3.87Å; L138-V162 HydrophobicContact CD2-CG2 4.39Å; L138-F165 HydrophobicContact CD2-CB 3.6Å; L138-F165 HydrophobicContact CD2-CD2 4.33Å; L138-F165 HydrophobicContact CD2-CG 4.02Å; L138-F165 HydrophobicContact CG-CB 4.24Å; L138-F165 HydrophobicContact CG-CD2 4.23Å; L138-F165 HydrophobicContact CG-CG 4.11Å
139	S	92.2	Very high	93.6	Very high	39 Å²	39	54.6 Å²	54.6	27%	0.273	28%	0.279	S	S	.	.			trans	-149.4	167.8	-175.9	73.7	0	0	0	0	112.8	E137 V141 N142 Y143	E137-S139 PolarHBondContact O-N 3.24Å; S139-V141 PolarHBondContact O-N 2.98Å; S139-V141 VanDerWaalsContact OG-CG2 3.31Å; S139-V141 WeakPolarHBondContact OG-CG2 3.45Å; S139-N142 WeakPolarHBondContact CA-OD1 3.2Å; S139-N142 PolarHBondContact N-OD1 3.33Å; S139-N142 PolarHBondContact O-N 3.33Å; S139-N142 PolarHBondContact O-OD1 3.5Å; S139-N142 VanDerWaalsContact O-OD1 3.06Å; S139-N142 PolarHBondContact OG-OD1 3.27Å; S139-Y143 PolarHBondContact O-N 3.28Å; S139-Y143 VanDerWaalsContact O-N 3.16Å
140	G	87.8	Confident	93.7	Very high	32 Å²	32	51.3 Å²	51.3	33%	0.33	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-1.4	179	0	0	0	0	0	115.5	R177	G140-R177 PolarHBondContact O-NH1 3.45Å
141	V	88.4	Confident	93.6	Very high	112 Å²	112	54 Å²	54	68%	0.679	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-26.3	176.1	-65	0	0	0	0	113.2	S139	S139-V141 PolarHBondContact O-N 2.98Å; S139-V141 VanDerWaalsContact OG-CG2 3.31Å; S139-V141 WeakPolarHBondContact OG-CG2 3.45Å
142	N	91.6	Very high	93.4	Very high	33 Å²	33	59.2 Å²	59.2	18%	0.176	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-5.2	-173.9	67.7	-1.3	0	0	0	114.3	E137 S139 L144 E145 L146	E137-N142 PolarHBondContact O-ND2 2.93Å; S139-N142 WeakPolarHBondContact CA-OD1 3.2Å; S139-N142 PolarHBondContact N-OD1 3.33Å; S139-N142 PolarHBondContact O-N 3.33Å; S139-N142 PolarHBondContact O-OD1 3.5Å; S139-N142 VanDerWaalsContact O-OD1 3.06Å; S139-N142 PolarHBondContact OG-OD1 3.27Å; N142-L144 PolarHBondContact O-N 3.46Å; N142-L144 VanDerWaalsContact O-N 3.11Å; N142-E145 PolarHBondContact O-N 3.47Å; N142-L146 HydrophobicContact CB-CG 4.47Å; N142-L146 WeakPolarHBondContact O-CG 3.42Å; N142-L146 PolarHBondContact O-N 3.32Å
143	Y	93.5	Very high	93.4	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-52.6	-38	-176.8	74	-87.7	0	0	0	113.6	S139 Y147 F165 L166 L173 L184	S139-Y143 PolarHBondContact O-N 3.28Å; S139-Y143 VanDerWaalsContact O-N 3.16Å; Y143-Y147 WeakPolarHBondContact O-CB 3.35Å; Y143-Y147 PolarHBondContact O-N 2.98Å; Y143-F165 HydrophobicContact CD1-CE1 4.27Å; Y143-F165 HydrophobicContact CG-CD1 4.42Å; Y143-F165 HydrophobicContact CG-CE1 4.31Å; Y143-L166 HydrophobicContact CD2-CD1 3.92Å; Y143-L166 HydrophobicContact CD2-CD2 3.75Å; Y143-L166 HydrophobicContact CD2-CG 3.89Å; Y143-L166 HydrophobicContact CE2-CD1 3.96Å; Y143-L166 HydrophobicContact CE2-CD2 3.61Å; Y143-L166 HydrophobicContact CE2-CG 4.13Å; Y143-L166 HydrophobicContact CG-CD2 4.38Å; Y143-L173 HydrophobicContact CE1-CD1 4.38Å; Y143-L173 WeakPolarHBondContact OH-CD1 3.45Å; Y143-L184 HydrophobicContact CE2-CD2 3.92Å
144	L	93.1	Very high	93.3	Very high	30 Å²	30	61.4 Å²	61.4	16%	0.157	31%	0.312	C	S	.	.	H	α-helix	trans	-72.1	-37.7	-179.2	-177	61.2	0	0	0	111.9	N142 R148 P185	N142-L144 PolarHBondContact O-N 3.46Å; N142-L144 VanDerWaalsContact O-N 3.11Å; L144-R148 WeakPolarHBondContact O-CG 3.19Å; L144-R148 PolarHBondContact O-N 3.09Å; L144-R148 VanDerWaalsContact O-N 3.14Å; L144-P185 HydrophobicContact CD1-CG 3.87Å
145	E	92.3	Very high	93.2	Very high	129 Å²	129	61.2 Å²	61.2	60%	0.603	31%	0.311	S	S	*	.	H	α-helix	trans	-68.2	-44.6	174.9	-64.3	-178.8	164.8	0	0	110.4	N142 Y147 R148 V149	N142-E145 PolarHBondContact O-N 3.47Å; E145-Y147 VanDerWaalsContact C-N 3.3Å; E145-Y147 PolarHBondContact O-N 3.35Å; E145-R148 WeakPolarHBondContact O-CB 3.45Å; E145-R148 PolarHBondContact O-N 3.12Å; E145-R148 VanDerWaalsContact O-N 3.11Å; E145-V149 WeakPolarHBondContact O-CG2 3.47Å; E145-V149 PolarHBondContact O-N 3.04Å
146	L	94.8	Very high	93.1	Very high	15 Å²	15	63.3 Å²	63.3	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-62.4	-36.5	175.7	-67	-178	0	0	0	112.3	L134 L138 N142 V149 A150 V162	L134-L146 HydrophobicContact CB-CD2 4.31Å; L134-L146 HydrophobicContact CD1-CD2 4.49Å; L134-L146 HydrophobicContact CD2-CD2 3.78Å; L134-L146 HydrophobicContact CG-CD2 4.41Å; L138-L146 HydrophobicContact CB-CD1 4.23Å; L138-L146 HydrophobicContact CD1-CD1 3.73Å; N142-L146 HydrophobicContact CB-CG 4.47Å; N142-L146 WeakPolarHBondContact O-CG 3.42Å; N142-L146 PolarHBondContact O-N 3.32Å; L146-V149 PolarHBondContact O-N 3.05Å; L146-A150 WeakPolarHBondContact O-CB 3.44Å; L146-A150 PolarHBondContact O-N 2.95Å; L146-V162 HydrophobicContact CB-CG2 4.27Å
147	Y	95.6	Very high	93.2	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.02	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-44.4	171.8	-177.9	-104.1	0	0	0	112.1	Y143 E145 V149 A150 D151 E159 V162 P185 R187 L188	Y143-Y147 WeakPolarHBondContact O-CB 3.35Å; Y143-Y147 PolarHBondContact O-N 2.98Å; E145-Y147 VanDerWaalsContact C-N 3.3Å; E145-Y147 PolarHBondContact O-N 3.35Å; Y147-V149 VanDerWaalsContact C-N 3.29Å; Y147-V149 PolarHBondContact O-N 3.18Å; Y147-A150 WeakPolarHBondContact O-CB 3.32Å; Y147-A150 PolarHBondContact O-N 3.39Å; Y147-A150 VanDerWaalsContact O-N 3.16Å; Y147-D151 PolarHBondContact O-N 3.13Å; Y147-E159 HydrophobicContact CD2-CG 4.43Å; Y147-E159 HydrophobicContact CE2-CG 3.92Å; Y147-E159 PolarHBondContact OH-OE1 3.09Å; Y147-V162 HydrophobicContact CD2-CG1 4.38Å; Y147-P185 HydrophobicContact CD1-CB 4.5Å; Y147-P185 HydrophobicContact CD1-CG 4Å; Y147-P185 HydrophobicContact CE1-CB 3.96Å; Y147-P185 HydrophobicContact CE1-CG 3.97Å; Y147-R187 WeakPolarHBondContact OH-CB 3.43Å; Y147-L188 HydrophobicContact CD1-CB 4.25Å; Y147-L188 HydrophobicContact CD1-CD2 3.97Å; Y147-L188 HydrophobicContact CD2-CB 4.33Å; Y147-L188 HydrophobicContact CD2-CD1 3.74Å; Y147-L188 HydrophobicContact CD2-CD2 4.01Å; Y147-L188 HydrophobicContact CD2-CG 4.24Å; Y147-L188 HydrophobicContact CE1-CB 3.84Å; Y147-L188 HydrophobicContact CE1-CD2 4.42Å; Y147-L188 HydrophobicContact CE2-CB 3.93Å; Y147-L188 HydrophobicContact CE2-CD1 3.77Å; Y147-L188 HydrophobicContact CE2-CD2 4.45Å; Y147-L188 HydrophobicContact CE2-CG 4.26Å; Y147-L188 HydrophobicContact CG-CB 4.48Å; Y147-L188 HydrophobicContact CG-CD1 4.36Å; Y147-L188 HydrophobicContact CG-CD2 3.76Å; Y147-L188 HydrophobicContact CG-CG 4.43Å; Y147-L188 PolarHBondContact OH-N 3.49Å
148	R	94.4	Very high	93.4	Very high	153 Å²	153	53.3 Å²	53.3	58%	0.577	29%	0.29	S	S	*	.	H	α-helix	trans	-62.7	-38.3	177.2	-69.2	171.9	-172.8	175.2	3	111.5	L144 E145 L152	L144-R148 WeakPolarHBondContact O-CG 3.19Å; L144-R148 PolarHBondContact O-N 3.09Å; L144-R148 VanDerWaalsContact O-N 3.14Å; E145-R148 WeakPolarHBondContact O-CB 3.45Å; E145-R148 PolarHBondContact O-N 3.12Å; E145-R148 VanDerWaalsContact O-N 3.11Å; R148-L152 WeakPolarHBondContact O-CB 3.31Å; R148-L152 PolarHBondContact O-N 3.48Å
149	V	93.9	Very high	93.5	Very high	41 Å²	41	54.2 Å²	54.2	25%	0.248	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-44.2	173.4	173.4	0	0	0	0	110.5	L115 L134 E145 L146 Y147 L152 F153	L115-V149 HydrophobicContact CD1-CG1 3.59Å; L134-V149 HydrophobicContact CD1-CG1 3.95Å; E145-V149 WeakPolarHBondContact O-CG2 3.47Å; E145-V149 PolarHBondContact O-N 3.04Å; L146-V149 PolarHBondContact O-N 3.05Å; Y147-V149 VanDerWaalsContact C-N 3.29Å; Y147-V149 PolarHBondContact O-N 3.18Å; V149-L152 PolarHBondContact O-N 3.02Å; V149-F153 HydrophobicContact CG1-CD2 3.8Å; V149-F153 HydrophobicContact CG1-CE2 4.14Å; V149-F153 VanDerWaalsContact O-CD2 3.31Å; V149-F153 WeakPolarHBondContact O-CD2 3.46Å; V149-F153 PolarHBondContact O-N 3.08Å
150	A	95.6	Very high	93.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-44.7	178.2	0	0	0	0	0	112.5	L146 Y147 H154 L155 L158 E159	L146-A150 WeakPolarHBondContact O-CB 3.44Å; L146-A150 PolarHBondContact O-N 2.95Å; Y147-A150 WeakPolarHBondContact O-CB 3.32Å; Y147-A150 PolarHBondContact O-N 3.39Å; Y147-A150 VanDerWaalsContact O-N 3.16Å; A150-H154 CarbonylContact O-C 3.57Å; A150-H154 VanDerWaalsContact O-CA 3.24Å; A150-H154 WeakPolarHBondContact O-CA 3.45Å; A150-H154 PolarHBondContact O-N 2.99Å; A150-L155 HydrophobicContact CB-CB 4.39Å; A150-L155 PolarHBondContact O-N 3.4Å; A150-L158 HydrophobicContact CB-CB 4.12Å; A150-L158 HydrophobicContact CB-CD2 3.91Å; A150-L158 HydrophobicContact CB-CG 3.94Å; A150-E159 HydrophobicContact CB-CB 4.22Å
151	D	93.8	Very high	94.1	Very high	56 Å²	56	58.3 Å²	58.3	30%	0.299	30%	0.303	S	S	.	.	H	α-helix	trans	-67.1	-40.6	177.6	-174	59.1	0	0	0	111.3	Y147 H154 R187	Y147-D151 PolarHBondContact O-N 3.13Å; D151-H154 PolarHBondContact O-ND1 3.28Å; D151-R187 IonicContact OD1-NH1 2.69Å; D151-R187 PolarHBondContact OD1-NH1 3.1Å; D151-R187 IonicContact OD2-NH1 2.99Å
152	L	93.4	Very high	94.5	Very high	114 Å²	114	53 Å²	53	60%	0.597	27%	0.271	S	S	*	.	H	α-helix	trans	-65.8	-41.2	-180	-179.2	63.8	0	0	0	113.1	R148 V149	R148-L152 WeakPolarHBondContact O-CB 3.31Å; R148-L152 PolarHBondContact O-N 3.48Å; V149-L152 PolarHBondContact O-N 3.02Å
153	F	93.4	Very high	94.7	Very high	21 Å²	21	52.3 Å²	52.3	9%	0.092	27%	0.268	C	S	.	.	H	α-helix	trans	-102.7	6.5	-177.3	-62.6	-67.5	0	0	0	113.7	L115 V149 L155	L115-F153 HydrophobicContact CB-CD1 4.2Å; L115-F153 HydrophobicContact CB-CD2 3.88Å; L115-F153 HydrophobicContact CB-CE1 4.1Å; L115-F153 HydrophobicContact CB-CE2 3.75Å; L115-F153 HydrophobicContact CB-CG 4.1Å; L115-F153 HydrophobicContact CB-CZ 3.86Å; L115-F153 HydrophobicContact CD1-CD2 3.91Å; L115-F153 HydrophobicContact CD1-CE2 4.01Å; L115-F153 HydrophobicContact CG-CD2 4.38Å; V149-F153 HydrophobicContact CG1-CD2 3.8Å; V149-F153 HydrophobicContact CG1-CE2 4.14Å; V149-F153 VanDerWaalsContact O-CD2 3.31Å; V149-F153 WeakPolarHBondContact O-CD2 3.46Å; V149-F153 PolarHBondContact O-N 3.08Å; F153-L155 HydrophobicContact CB-CD1 4.23Å; F153-L155 HydrophobicContact CB-CD2 4.38Å; F153-L155 HydrophobicContact CB-CG 3.97Å
154	H	92.5	Very high	94.7	Very high	150 Å²	150	52.8 Å²	52.8	69%	0.694	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	57.3	-177.9	-57.2	-52.6	0	0	0	113.1	A150 D151 P156	A150-H154 CarbonylContact O-C 3.57Å; A150-H154 VanDerWaalsContact O-CA 3.24Å; A150-H154 WeakPolarHBondContact O-CA 3.45Å; A150-H154 PolarHBondContact O-N 2.99Å; D151-H154 PolarHBondContact O-ND1 3.28Å; H154-P156 WeakPolarHBondContact O-CD 3.44Å
155	L	94.9	Very high	94.7	Very high	7 Å²	7	53 Å²	53	4%	0.037	28%	0.275	C	S	.	.			trans	-99.7	88.2	179.9	-56.4	175.9	0	0	0	110.7	L115 L127 A150 F153 A157 L158 E159	L115-L155 HydrophobicContact CD2-CD1 3.87Å; L127-L155 HydrophobicContact CB-CD2 4.08Å; L127-L155 HydrophobicContact CD2-CD2 4.38Å; A150-L155 HydrophobicContact CB-CB 4.39Å; A150-L155 PolarHBondContact O-N 3.4Å; F153-L155 HydrophobicContact CB-CD1 4.23Å; F153-L155 HydrophobicContact CB-CD2 4.38Å; F153-L155 HydrophobicContact CB-CG 3.97Å; L155-A157 PolarHBondContact O-N 2.89Å; L155-L158 HydrophobicContact CB-CB 4.06Å; L155-L158 HydrophobicContact CD1-CD2 4.16Å; L155-L158 PolarHBondContact O-N 3.26Å; L155-E159 PolarHBondContact O-N 3.43Å
156	P	94.1	Very high	94.8	Very high	98 Å²	98	47 Å²	47	64%	0.636	25%	0.246	S	C	*	.	H	α-helix	trans	-64.9	-35.4	-171.5	25.2	-35.8	0	0	0	113.5	H154 L158 E159 E160	H154-P156 WeakPolarHBondContact O-CD 3.44Å; P156-L158 PolarHBondContact O-N 2.9Å; P156-E159 PolarHBondContact O-N 2.87Å; P156-E160 WeakPolarHBondContact O-CB 3.41Å; P156-E160 PolarHBondContact O-N 3.36Å
157	A	95.8	Very high	94.7	Very high	47 Å²	47	46.4 Å²	46.4	39%	0.388	24%	0.243	S	C	.	.	H	α-helix	trans	-65.5	-39.1	178.6	0	0	0	0	0	112	I135 L155 A161	I135-A157 HydrophobicContact CD1-CB 4.26Å; L155-A157 PolarHBondContact O-N 2.89Å; A157-A161 WeakPolarHBondContact O-CB 3.23Å; A157-A161 PolarHBondContact O-N 3.41Å; A157-A161 VanDerWaalsContact O-N 3.09Å
158	L	96.4	Very high	94.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-70	-41.2	174.4	-178.9	61.4	0	0	0	111.2	S131 L134 I135 A150 L155 P156 A161 V162	S131-L158 PolarHBondContact OG-N 3.38Å; L134-L158 HydrophobicContact CB-CD1 3.86Å; L134-L158 HydrophobicContact CB-CD2 3.85Å; L134-L158 HydrophobicContact CD1-CD2 3.62Å; L134-L158 HydrophobicContact CG-CD2 4.4Å; I135-L158 HydrophobicContact CG1-CB 4.44Å; I135-L158 HydrophobicContact CG1-CD1 3.78Å; A150-L158 HydrophobicContact CB-CB 4.12Å; A150-L158 HydrophobicContact CB-CD2 3.91Å; A150-L158 HydrophobicContact CB-CG 3.94Å; L155-L158 HydrophobicContact CB-CB 4.06Å; L155-L158 HydrophobicContact CD1-CD2 4.16Å; L155-L158 PolarHBondContact O-N 3.26Å; P156-L158 PolarHBondContact O-N 2.9Å; L158-A161 PolarHBondContact O-N 3.49Å; L158-V162 HydrophobicContact CD1-CG2 4.36Å; L158-V162 VanDerWaalsContact O-CG2 3.32Å; L158-V162 WeakPolarHBondContact O-CG2 3.35Å; L158-V162 PolarHBondContact O-N 2.97Å
159	E	95.7	Very high	94.1	Very high	53 Å²	53	46.7 Å²	46.7	25%	0.248	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-47.9	175.4	-179.2	168.2	-161.9	0	0	111.6	Y147 A150 L155 P156 A161 V162 V163	Y147-E159 HydrophobicContact CD2-CG 4.43Å; Y147-E159 HydrophobicContact CE2-CG 3.92Å; Y147-E159 PolarHBondContact OH-OE1 3.09Å; A150-E159 HydrophobicContact CB-CB 4.22Å; L155-E159 PolarHBondContact O-N 3.43Å; P156-E159 PolarHBondContact O-N 2.87Å; E159-A161 VanDerWaalsContact C-N 3.33Å; E159-A161 PolarHBondContact O-N 2.74Å; E159-V162 PolarHBondContact O-N 3.47Å; E159-V163 WeakPolarHBondContact O-CG2 3.47Å; E159-V163 PolarHBondContact O-N 3.3Å
160	E	96	Very high	93.9	Very high	129 Å²	129	44.8 Å²	44.8	60%	0.603	24%	0.24	S	C	*	.	H	α-helix	trans	-60.6	-41.4	176.6	-175.1	176.3	-174.4	0	0	111.9	P156 V163 G164	P156-E160 WeakPolarHBondContact O-CB 3.41Å; P156-E160 PolarHBondContact O-N 3.36Å; E160-V163 PolarHBondContact O-N 3.26Å; E160-G164 PolarHBondContact O-N 2.92Å
161	A	96.3	Very high	93.6	Very high	27 Å²	27	45.7 Å²	45.7	22%	0.223	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-41.6	176.3	0	0	0	0	0	112.3	I135 L138 A157 L158 E159 G164 F165	I135-A161 HydrophobicContact CB-CB 4.5Å; I135-A161 HydrophobicContact CD1-CB 4.31Å; I135-A161 HydrophobicContact CG1-CB 3.78Å; I135-A161 HydrophobicContact CG2-CB 4.07Å; L138-A161 HydrophobicContact CD2-CB 4.29Å; A157-A161 WeakPolarHBondContact O-CB 3.23Å; A157-A161 PolarHBondContact O-N 3.41Å; A157-A161 VanDerWaalsContact O-N 3.09Å; L158-A161 PolarHBondContact O-N 3.49Å; E159-A161 VanDerWaalsContact C-N 3.33Å; E159-A161 PolarHBondContact O-N 2.74Å; A161-G164 PolarHBondContact O-N 3.4Å; A161-F165 WeakPolarHBondContact O-CB 3.3Å; A161-F165 PolarHBondContact O-N 2.91Å
162	V	96.5	Very high	93.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.9	-42.2	176.5	176.1	0	0	0	0	111.4	L138 L146 Y147 L158 E159 G164 F165 L166 L188	L138-V162 HydrophobicContact CD1-CG2 3.87Å; L138-V162 HydrophobicContact CD2-CG2 4.39Å; L146-V162 HydrophobicContact CB-CG2 4.27Å; Y147-V162 HydrophobicContact CD2-CG1 4.38Å; L158-V162 HydrophobicContact CD1-CG2 4.36Å; L158-V162 VanDerWaalsContact O-CG2 3.32Å; L158-V162 WeakPolarHBondContact O-CG2 3.35Å; L158-V162 PolarHBondContact O-N 2.97Å; E159-V162 PolarHBondContact O-N 3.47Å; V162-G164 VanDerWaalsContact C-N 3.35Å; V162-F165 PolarHBondContact O-N 3.23Å; V162-L166 PolarHBondContact O-N 3.18Å; V162-L188 HydrophobicContact CG1-CD1 4.3Å
163	V	96	Very high	93	Very high	19 Å²	19	42.4 Å²	42.4	12%	0.115	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-47.1	173.4	172.1	0	0	0	0	110.1	E159 E160 F165 L166 V167 L188 E191 V192	E159-V163 WeakPolarHBondContact O-CG2 3.47Å; E159-V163 PolarHBondContact O-N 3.3Å; E160-V163 PolarHBondContact O-N 3.26Å; V163-F165 PolarHBondContact O-N 2.62Å; V163-L166 PolarHBondContact O-N 3.11Å; V163-V167 HydrophobicContact CG1-CG2 4.24Å; V163-V167 WeakPolarHBondContact O-CB 3.38Å; V163-V167 WeakPolarHBondContact O-CG2 3.35Å; V163-V167 PolarHBondContact O-N 2.85Å; V163-L188 HydrophobicContact CG2-CD1 3.75Å; V163-E191 HydrophobicContact CG1-CB 4.3Å; V163-E191 HydrophobicContact CG2-CB 3.99Å; V163-V192 HydrophobicContact CG1-CG2 4.24Å
164	G	93.9	Very high	92.6	Very high	15 Å²	15	44.2 Å²	44.2	16%	0.155	23%	0.233	C	C	.	.	H	α-helix	trans	-58.1	-46.8	176.9	0	0	0	0	0	112.6	E160 A161 V162 L166 V167 E168	E160-G164 PolarHBondContact O-N 2.92Å; A161-G164 PolarHBondContact O-N 3.4Å; V162-G164 VanDerWaalsContact C-N 3.35Å; G164-L166 PolarHBondContact O-N 2.89Å; G164-V167 WeakPolarHBondContact O-CB 3.49Å; G164-V167 PolarHBondContact O-N 3.4Å; G164-E168 PolarHBondContact O-N 2.9Å
165	F	94.1	Very high	92.3	Very high	35 Å²	35	43.6 Å²	43.6	15%	0.154	23%	0.23	C	C	.	.	H	α-helix	trans	-59.1	-47.1	176.2	177.1	-92.4	0	0	0	112.1	L138 Y143 A161 V162 V163 E168 H169	L138-F165 HydrophobicContact CD2-CB 3.6Å; L138-F165 HydrophobicContact CD2-CD2 4.33Å; L138-F165 HydrophobicContact CD2-CG 4.02Å; L138-F165 HydrophobicContact CG-CB 4.24Å; L138-F165 HydrophobicContact CG-CD2 4.23Å; L138-F165 HydrophobicContact CG-CG 4.11Å; Y143-F165 HydrophobicContact CD1-CE1 4.27Å; Y143-F165 HydrophobicContact CG-CD1 4.42Å; Y143-F165 HydrophobicContact CG-CE1 4.31Å; A161-F165 WeakPolarHBondContact O-CB 3.3Å; A161-F165 PolarHBondContact O-N 2.91Å; V162-F165 PolarHBondContact O-N 3.23Å; V163-F165 PolarHBondContact O-N 2.62Å; F165-E168 PolarHBondContact O-N 3.04Å; F165-H169 AromaticContact CD2-CE1 3.81Å; F165-H169 AromaticContact CD2-ND1 3.7Å; F165-H169 AromaticContact CE2-CE1 3.59Å; F165-H169 AromaticContact CE2-ND1 3.6Å; F165-H169 AromaticContact CZ-ND1 3.87Å; F165-H169 PolarHBondContact O-N 3.47Å; F165-H169 VanDerWaalsContact O-N 3.09Å; F165-H169 PolarHBondContact O-ND1 3.42Å
166	L	93.6	Very high	91.8	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-66.2	-38.9	178.2	-84.4	-178.4	0	0	0	112.8	Y143 V162 V163 G164 E168 H169 L170 L173 L184 L188 V192	Y143-L166 HydrophobicContact CD2-CD1 3.92Å; Y143-L166 HydrophobicContact CD2-CD2 3.75Å; Y143-L166 HydrophobicContact CD2-CG 3.89Å; Y143-L166 HydrophobicContact CE2-CD1 3.96Å; Y143-L166 HydrophobicContact CE2-CD2 3.61Å; Y143-L166 HydrophobicContact CE2-CG 4.13Å; Y143-L166 HydrophobicContact CG-CD2 4.38Å; V162-L166 PolarHBondContact O-N 3.18Å; V163-L166 PolarHBondContact O-N 3.11Å; G164-L166 PolarHBondContact O-N 2.89Å; L166-E168 PolarHBondContact O-N 3.11Å; L166-H169 PolarHBondContact O-N 3.36Å; L166-L170 WeakPolarHBondContact O-CA 3.32Å; L166-L170 VanDerWaalsContact O-CB 3.28Å; L166-L170 WeakPolarHBondContact O-CB 3.4Å; L166-L170 PolarHBondContact O-N 2.87Å; L166-L173 HydrophobicContact CD2-CD2 4.15Å; L166-L184 HydrophobicContact CD1-CD2 4.05Å; L166-L188 HydrophobicContact CD1-CD1 3.89Å; L166-L188 HydrophobicContact CD1-CD2 3.48Å; L166-L188 VanDerWaalsContact CD1-CD2 3.48Å; L166-L188 HydrophobicContact CD1-CG 3.65Å; L166-V192 HydrophobicContact CB-CG2 3.84Å; L166-V192 HydrophobicContact CD1-CG2 4.25Å
167	V	92.8	Very high	91.3	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-56.3	-37.2	176.1	163	0	0	0	0	111.6	V163 G164 V192 R197 L198 S200	V163-V167 HydrophobicContact CG1-CG2 4.24Å; V163-V167 WeakPolarHBondContact O-CB 3.38Å; V163-V167 WeakPolarHBondContact O-CG2 3.35Å; V163-V167 PolarHBondContact O-N 2.85Å; G164-V167 WeakPolarHBondContact O-CB 3.49Å; G164-V167 PolarHBondContact O-N 3.4Å; V167-V192 HydrophobicContact CG2-CB 4.37Å; V167-V192 HydrophobicContact CG2-CG1 4.01Å; V167-V192 HydrophobicContact CG2-CG2 4.37Å; V167-R197 HydrophobicContact CG1-CB 3.74Å; V167-R197 WeakPolarHBondContact CG1-O 3.34Å; V167-L198 HydrophobicContact CG1-CB 4.2Å; V167-L198 WeakPolarHBondContact O-CD1 3.44Å; V167-S200 PolarHBondContact O-OG 3.41Å
168	E	88.1	Confident	90.8	Very high	108 Å²	108	51.5 Å²	51.5	51%	0.505	25%	0.25	S	S	.	.	H	α-helix	trans	-77.1	-37.5	177.5	-68.6	178	-179	0	0	113	G164 F165 L166	G164-E168 PolarHBondContact O-N 2.9Å; F165-E168 PolarHBondContact O-N 3.04Å; L166-E168 PolarHBondContact O-N 3.11Å
169	H	88.9	Confident	90.3	Very high	56 Å²	56	57.9 Å²	57.9	26%	0.259	28%	0.284	S	S	.	.	H	α-helix	trans	-106.2	4.8	-170.3	-58.5	84.5	0	0	0	114.8	F165 L166 S171 E172 L173	F165-H169 AromaticContact CD2-CE1 3.81Å; F165-H169 AromaticContact CD2-ND1 3.7Å; F165-H169 AromaticContact CE2-CE1 3.59Å; F165-H169 AromaticContact CE2-ND1 3.6Å; F165-H169 AromaticContact CZ-ND1 3.87Å; F165-H169 PolarHBondContact O-N 3.47Å; F165-H169 VanDerWaalsContact O-N 3.09Å; F165-H169 PolarHBondContact O-ND1 3.42Å; L166-H169 PolarHBondContact O-N 3.36Å; H169-S171 VanDerWaalsContact C-N 3.25Å; H169-S171 PolarHBondContact O-N 3.09Å; H169-E172 IonicContact CD2-OE2 3.12Å; H169-E172 PolarHBondContact O-N 3.28Å; H169-E172 VanDerWaalsContact O-N 3.12Å; H169-L173 PolarHBondContact O-N 2.69Å
170	L	90.3	Very high	89.9	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-59.4	-34.8	-176.1	-168.7	62.8	0	0	0	113.1	L166 L173 R174 L184 V192 L198 L201 L209	L166-L170 WeakPolarHBondContact O-CA 3.32Å; L166-L170 VanDerWaalsContact O-CB 3.28Å; L166-L170 WeakPolarHBondContact O-CB 3.4Å; L166-L170 PolarHBondContact O-N 2.87Å; L170-L173 HydrophobicContact CD1-CD2 4.3Å; L170-L173 PolarHBondContact O-N 3.3Å; L170-R174 WeakPolarHBondContact O-CB 3.23Å; L170-R174 PolarHBondContact O-N 3.28Å; L170-L184 HydrophobicContact CD1-CD1 4.33Å; L170-V192 HydrophobicContact CD2-CG1 3.96Å; L170-L198 HydrophobicContact CB-CD1 4.06Å; L170-L198 HydrophobicContact CD2-CD1 3.75Å; L170-L198 HydrophobicContact CD2-CD2 4.18Å; L170-L201 HydrophobicContact CD2-CD1 3.9Å; L170-L201 HydrophobicContact CG-CD1 4.01Å; L170-L209 HydrophobicContact CD1-CD2 4.17Å; L170-L209 HydrophobicContact CD2-CD2 3.98Å; L170-L209 HydrophobicContact CG-CD2 4.14Å
171	S	88.8	Confident	89.5	Confident	20 Å²	20	52.8 Å²	52.8	14%	0.14	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-42.6	177	59.3	0	0	0	0	112.1	H169 R174 Q175	H169-S171 VanDerWaalsContact C-N 3.25Å; H169-S171 PolarHBondContact O-N 3.09Å; S171-R174 PolarHBondContact O-N 3.19Å; S171-Q175 VanDerWaalsContact O-CG 3.31Å; S171-Q175 WeakPolarHBondContact O-CG 3.41Å; S171-Q175 PolarHBondContact O-N 3.48Å; S171-Q175 VanDerWaalsContact O-N 3.15Å
172	E	87.4	Confident	89.3	Confident	87 Å²	87	52.3 Å²	52.3	41%	0.407	25%	0.254	S	S	.	.	H	α-helix	trans	-67.6	-41.5	176.7	-60.5	-174.2	170.9	0	0	111.2	H169 R174 Q175 N176	H169-E172 IonicContact CD2-OE2 3.12Å; H169-E172 PolarHBondContact O-N 3.28Å; H169-E172 VanDerWaalsContact O-N 3.12Å; E172-R174 VanDerWaalsContact C-N 3.34Å; E172-R174 PolarHBondContact O-N 3.48Å; E172-Q175 PolarHBondContact O-N 3.09Å; E172-N176 WeakPolarHBondContact O-CB 3.43Å; E172-N176 PolarHBondContact O-N 2.93Å; E172-N176 PolarHBondContact O-ND2 3.35Å
173	L	87.8	Confident	89.1	Confident	14 Å²	14	57.1 Å²	57.1	7%	0.073	28%	0.277	C	S	.	.	H	α-helix	trans	-59.6	-46.3	176.4	-171.8	72.4	0	0	0	110.9	Y143 L166 H169 L170 Q175 R177 E180 A181 L184	Y143-L173 HydrophobicContact CE1-CD1 4.38Å; Y143-L173 WeakPolarHBondContact OH-CD1 3.45Å; L166-L173 HydrophobicContact CD2-CD2 4.15Å; H169-L173 PolarHBondContact O-N 2.69Å; L170-L173 HydrophobicContact CD1-CD2 4.3Å; L170-L173 PolarHBondContact O-N 3.3Å; L173-Q175 VanDerWaalsContact C-N 3.34Å; L173-Q175 PolarHBondContact O-N 2.68Å; L173-R177 HydrophobicContact CD1-CB 4.21Å; L173-R177 CarbonylContact O-C 3.59Å; L173-R177 WeakPolarHBondContact O-CA 3.43Å; L173-R177 PolarHBondContact O-N 2.97Å; L173-E180 HydrophobicContact CD1-CB 4.07Å; L173-A181 HydrophobicContact CD2-CB 4.01Å; L173-A181 HydrophobicContact CG-CB 4.13Å; L173-L184 HydrophobicContact CD2-CD1 4.29Å; L173-L184 HydrophobicContact CD2-CD2 4.48Å
174	R	85.4	Confident	89	Confident	59 Å²	59	56.4 Å²	56.4	22%	0.223	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-41.2	178	-169	-167	76.4	-174	-1.3	112.4	L170 S171 E172 E205 L209	L170-R174 WeakPolarHBondContact O-CB 3.23Å; L170-R174 PolarHBondContact O-N 3.28Å; S171-R174 PolarHBondContact O-N 3.19Å; E172-R174 VanDerWaalsContact C-N 3.34Å; E172-R174 PolarHBondContact O-N 3.48Å; R174-E205 IonicContact CZ-OE1 3.95Å; R174-E205 VanDerWaalsContact NH1-CD 3.34Å; R174-E205 IonicContact NH1-OE1 3.92Å; R174-E205 PolarHBondContact NH1-OE1 3.39Å; R174-E205 IonicContact NH2-OE1 2.83Å; R174-E205 PolarHBondContact NH2-OE1 3.47Å; R174-L209 HydrophobicContact CG-CD1 4.39Å
175	Q	85.2	Confident	89	Confident	136 Å²	136	57.5 Å²	57.5	64%	0.636	28%	0.277	S	S	*	.	H	α-helix	trans	-75.9	-42.4	-175.7	-71.9	175.6	16.7	0	0	112.7	S171 E172 L173	S171-Q175 VanDerWaalsContact O-CG 3.31Å; S171-Q175 WeakPolarHBondContact O-CG 3.41Å; S171-Q175 PolarHBondContact O-N 3.48Å; S171-Q175 VanDerWaalsContact O-N 3.15Å; E172-Q175 PolarHBondContact O-N 3.09Å; L173-Q175 VanDerWaalsContact C-N 3.34Å; L173-Q175 PolarHBondContact O-N 2.68Å
176	N	85.3	Confident	89	Confident	124 Å²	124	58.4 Å²	58.4	66%	0.663	28%	0.279	S	S	*	.	H	α-helix	trans	-98.1	-27.4	-169.9	-63.5	-32.7	0	0	0	113.1	E172	E172-N176 WeakPolarHBondContact O-CB 3.43Å; E172-N176 PolarHBondContact O-N 2.93Å; E172-N176 PolarHBondContact O-ND2 3.35Å
177	R	83.4	Confident	89.1	Confident	99 Å²	99	65.1 Å²	65.1	37%	0.374	30%	0.304	S	S	.	.			trans	-144.3	59.6	-171.1	-53	-167.1	-161.9	156.3	2.2	111.7	G140 L173 D179 E180 A181	G140-R177 PolarHBondContact O-NH1 3.45Å; L173-R177 HydrophobicContact CD1-CB 4.21Å; L173-R177 CarbonylContact O-C 3.59Å; L173-R177 WeakPolarHBondContact O-CA 3.43Å; L173-R177 PolarHBondContact O-N 2.97Å; R177-D179 PolarHBondContact O-N 2.85Å; R177-E180 HydrophobicContact CB-CB 4.19Å; R177-E180 HydrophobicContact CB-CG 4.23Å; R177-E180 VanDerWaalsContact CD-CD 3.41Å; R177-E180 WeakPolarHBondContact CD-OE1 3.42Å; R177-E180 WeakPolarHBondContact CD-OE2 3.16Å; R177-E180 IonicContact NE-OE1 2.73Å; R177-E180 IonicContact NH1-OE1 3.03Å; R177-E180 IonicContact NH1-OE2 3.35Å; R177-E180 PolarHBondContact NH1-OE2 3.49Å; R177-E180 PolarHBondContact O-N 3.07Å; R177-E180 VanDerWaalsContact O-N 3.09Å; R177-A181 PolarHBondContact O-N 3.15Å
178	Q	85	Confident	89.2	Confident	96 Å²	96	65 Å²	65	45%	0.449	30%	0.304	S	S	.	.	H	α-helix	trans	-56.1	-37	-177.4	-171.7	175.8	-19.3	0	0	112.9	E180 A181 L182	Q178-E180 VanDerWaalsContact C-N 3.34Å; Q178-E180 PolarHBondContact O-N 3.24Å; Q178-A181 WeakPolarHBondContact O-CB 3.46Å; Q178-A181 PolarHBondContact O-N 3.4Å; Q178-L182 WeakPolarHBondContact O-CG 3.39Å; Q178-L182 PolarHBondContact O-N 3.44Å; Q178-L182 VanDerWaalsContact O-N 3.1Å
179	D	86.6	Confident	89.6	Confident	133 Å²	133	60 Å²	60	71%	0.711	28%	0.281	S	S	*	.	H	α-helix	trans	-61.8	-39.8	178.3	-63	-29.1	0	0	0	112.2	R177 L182 Q183	R177-D179 PolarHBondContact O-N 2.85Å; D179-L182 PolarHBondContact O-N 3.3Å; D179-Q183 WeakPolarHBondContact O-CG 3.44Å; D179-Q183 PolarHBondContact O-N 3.32Å
180	E	87.2	Confident	90	Very high	74 Å²	74	60.8 Å²	60.8	35%	0.346	28%	0.281	S	S	.	.	H	α-helix	trans	-65.7	-39.2	175.4	-70.3	-179.8	-156.3	0	0	111.4	L173 R177 Q178 L182 Q183 L184	L173-E180 HydrophobicContact CD1-CB 4.07Å; R177-E180 HydrophobicContact CB-CB 4.19Å; R177-E180 HydrophobicContact CB-CG 4.23Å; R177-E180 VanDerWaalsContact CD-CD 3.41Å; R177-E180 WeakPolarHBondContact CD-OE1 3.42Å; R177-E180 WeakPolarHBondContact CD-OE2 3.16Å; R177-E180 IonicContact NE-OE1 2.73Å; R177-E180 IonicContact NH1-OE1 3.03Å; R177-E180 IonicContact NH1-OE2 3.35Å; R177-E180 PolarHBondContact NH1-OE2 3.49Å; R177-E180 PolarHBondContact O-N 3.07Å; R177-E180 VanDerWaalsContact O-N 3.09Å; Q178-E180 VanDerWaalsContact C-N 3.34Å; Q178-E180 PolarHBondContact O-N 3.24Å; E180-L182 VanDerWaalsContact C-N 3.27Å; E180-L182 PolarHBondContact O-N 3.33Å; E180-Q183 PolarHBondContact O-N 3.08Å; E180-Q183 VanDerWaalsContact O-N 3.07Å; E180-L184 PolarHBondContact O-N 3.38Å
181	A	87.9	Confident	90.3	Very high	1 Å²	1	64 Å²	64	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-35.3	176.5	0	0	0	0	0	112.3	L173 R177 Q178 Q183 L184 L209	L173-A181 HydrophobicContact CD2-CB 4.01Å; L173-A181 HydrophobicContact CG-CB 4.13Å; R177-A181 PolarHBondContact O-N 3.15Å; Q178-A181 WeakPolarHBondContact O-CB 3.46Å; Q178-A181 PolarHBondContact O-N 3.4Å; A181-Q183 VanDerWaalsContact C-N 3.26Å; A181-Q183 PolarHBondContact O-N 3.41Å; A181-L184 WeakPolarHBondContact O-CD1 3.32Å; A181-L184 WeakPolarHBondContact O-CG 3.48Å; A181-L184 PolarHBondContact O-N 2.91Å; A181-L209 HydrophobicContact CB-CD1 4.2Å
182	L	91.8	Very high	90.6	Very high	18 Å²	18	63.1 Å²	63.1	9%	0.094	29%	0.29	C	S	.	.	H	α-helix	trans	-74.6	-15.4	176.7	-63.1	175.3	0	0	0	113.3	Q178 D179 E180 L212 W213 H216 R219	Q178-L182 WeakPolarHBondContact O-CG 3.39Å; Q178-L182 PolarHBondContact O-N 3.44Å; Q178-L182 VanDerWaalsContact O-N 3.1Å; D179-L182 PolarHBondContact O-N 3.3Å; E180-L182 VanDerWaalsContact C-N 3.27Å; E180-L182 PolarHBondContact O-N 3.33Å; L182-L212 HydrophobicContact CD2-CB 3.92Å; L182-W213 HydrophobicContact CD2-CB 4.31Å; L182-H216 HydrophobicContact CB-CB 4.49Å; L182-H216 HydrophobicContact CD2-CB 4.42Å; L182-R219 PolarHBondContact O-NH1 2.83Å; L182-R219 PolarHBondContact O-NH2 2.84Å
183	Q	91	Very high	91	Very high	101 Å²	101	59.1 Å²	59.1	47%	0.472	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	3.2	177.8	-65.5	-65.4	-33.9	0	0	113.4	D179 E180 A181 H216	D179-Q183 WeakPolarHBondContact O-CG 3.44Å; D179-Q183 PolarHBondContact O-N 3.32Å; E180-Q183 PolarHBondContact O-N 3.08Å; E180-Q183 VanDerWaalsContact O-N 3.07Å; A181-Q183 VanDerWaalsContact C-N 3.26Å; A181-Q183 PolarHBondContact O-N 3.41Å; Q183-H216 PolarHBondContact NE2-CE1 2.82Å
184	L	93.8	Very high	91.3	Very high	3 Å²	3	62 Å²	62	2%	0.016	28%	0.283	C	S	.	.			trans	-59.6	132.5	178	-70.7	174.7	0	0	0	111.3	Y143 L166 L170 L173 E180 A181 L188 L189 W213	Y143-L184 HydrophobicContact CE2-CD2 3.92Å; L166-L184 HydrophobicContact CD1-CD2 4.05Å; L170-L184 HydrophobicContact CD1-CD1 4.33Å; L173-L184 HydrophobicContact CD2-CD1 4.29Å; L173-L184 HydrophobicContact CD2-CD2 4.48Å; E180-L184 PolarHBondContact O-N 3.38Å; A181-L184 WeakPolarHBondContact O-CD1 3.32Å; A181-L184 WeakPolarHBondContact O-CG 3.48Å; A181-L184 PolarHBondContact O-N 2.91Å; L184-L188 HydrophobicContact CD2-CD2 4.23Å; L184-L189 HydrophobicContact CD1-CD1 4.38Å; L184-W213 WeakPolarHBondContact O-CZ2 3.38Å; L184-W213 PolarHBondContact O-NE1 3.38Å
185	P	94.8	Very high	91.7	Very high	39 Å²	39	60.1 Å²	60.1	25%	0.253	28%	0.279	S	S	.	.			trans	-60.6	144.2	174.1	-23.8	34.1	0	0	0	111.7	L144 Y147 R187 L188 L189	L144-P185 HydrophobicContact CD1-CG 3.87Å; Y147-P185 HydrophobicContact CD1-CB 4.5Å; Y147-P185 HydrophobicContact CD1-CG 4Å; Y147-P185 HydrophobicContact CE1-CB 3.96Å; Y147-P185 HydrophobicContact CE1-CG 3.97Å; P185-R187 VanDerWaalsContact C-N 3.32Å; P185-R187 PolarHBondContact O-N 2.94Å; P185-L188 HydrophobicContact CB-CB 4.34Å; P185-L188 PolarHBondContact O-N 3.38Å; P185-L189 PolarHBondContact O-N 2.97Å
186	Y	94.9	Very high	91.9	Very high	54 Å²	54	56.4 Å²	56.4	21%	0.212	26%	0.264	C	S	.	.	H	α-helix	trans	-50.4	-48.6	179.4	155.3	-107	0	0	0	112.8	L188 L189 R190 Y222 D225 L226	Y186-L188 PolarHBondContact O-N 3.42Å; Y186-L189 PolarHBondContact O-N 3.12Å; Y186-R190 HydrophobicContact CE2-CB 4.41Å; Y186-R190 VanDerWaalsContact O-CB 3.3Å; Y186-R190 WeakPolarHBondContact O-CB 3.15Å; Y186-R190 PolarHBondContact O-N 3.18Å; Y186-Y222 HydrophobicContact CD1-CD1 4.13Å; Y186-Y222 AromaticContact CD1-CE1 3.9Å; Y186-Y222 HydrophobicContact CD1-CE1 3.9Å; Y186-Y222 AromaticContact CD2-CD1 3.55Å; Y186-Y222 HydrophobicContact CD2-CD1 3.55Å; Y186-Y222 HydrophobicContact CD2-CD2 4.39Å; Y186-Y222 HydrophobicContact CD2-CE1 4.12Å; Y186-Y222 AromaticContact CD2-CG 3.71Å; Y186-Y222 HydrophobicContact CD2-CG 3.71Å; Y186-Y222 HydrophobicContact CE1-CD1 4.26Å; Y186-Y222 HydrophobicContact CE1-CE1 4.24Å; Y186-Y222 AromaticContact CE2-CD1 3.72Å; Y186-Y222 HydrophobicContact CE2-CD1 3.72Å; Y186-Y222 HydrophobicContact CE2-CE1 4.45Å; Y186-Y222 HydrophobicContact CE2-CG 4.14Å; Y186-Y222 AromaticContact CG-CD1 3.78Å; Y186-Y222 HydrophobicContact CG-CD1 3.78Å; Y186-Y222 AromaticContact CG-CE1 3.84Å; Y186-Y222 HydrophobicContact CG-CE1 3.84Å; Y186-Y222 HydrophobicContact CG-CG 4.14Å; Y186-D225 WeakPolarHBondContact CE2-OD2 3.3Å; Y186-D225 PolarHBondContact OH-OD2 3.27Å; Y186-L226 HydrophobicContact CD2-CD1 4.18Å; Y186-L226 HydrophobicContact CD2-CD2 4.05Å; Y186-L226 HydrophobicContact CD2-CG 4.22Å; Y186-L226 HydrophobicContact CE2-CD2 3.91Å; Y186-L226 HydrophobicContact CE2-CG 4.12Å
187	R	94.9	Very high	92.1	Very high	142 Å²	142	56.3 Å²	56.3	54%	0.536	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-46.9	-178.7	-71.3	-176.4	-177.1	164.5	0.7	111.7	Y147 D151 P185 R190 E191	Y147-R187 WeakPolarHBondContact OH-CB 3.43Å; D151-R187 IonicContact OD1-NH1 2.69Å; D151-R187 PolarHBondContact OD1-NH1 3.1Å; D151-R187 IonicContact OD2-NH1 2.99Å; P185-R187 VanDerWaalsContact C-N 3.32Å; P185-R187 PolarHBondContact O-N 2.94Å; R187-R190 WeakPolarHBondContact O-CB 3.44Å; R187-R190 PolarHBondContact O-N 3.41Å; R187-E191 WeakPolarHBondContact O-CG 3.27Å; R187-E191 PolarHBondContact O-N 2.93Å; R187-E191 VanDerWaalsContact O-N 3.09Å
188	L	95.8	Very high	92.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-48.9	178.5	-175.4	52.2	0	0	0	111.6	Y147 V162 V163 L166 L184 P185 Y186 R190 E191 V192	Y147-L188 HydrophobicContact CD1-CB 4.25Å; Y147-L188 HydrophobicContact CD1-CD2 3.97Å; Y147-L188 HydrophobicContact CD2-CB 4.33Å; Y147-L188 HydrophobicContact CD2-CD1 3.74Å; Y147-L188 HydrophobicContact CD2-CD2 4.01Å; Y147-L188 HydrophobicContact CD2-CG 4.24Å; Y147-L188 HydrophobicContact CE1-CB 3.84Å; Y147-L188 HydrophobicContact CE1-CD2 4.42Å; Y147-L188 HydrophobicContact CE2-CB 3.93Å; Y147-L188 HydrophobicContact CE2-CD1 3.77Å; Y147-L188 HydrophobicContact CE2-CD2 4.45Å; Y147-L188 HydrophobicContact CE2-CG 4.26Å; Y147-L188 HydrophobicContact CG-CB 4.48Å; Y147-L188 HydrophobicContact CG-CD1 4.36Å; Y147-L188 HydrophobicContact CG-CD2 3.76Å; Y147-L188 HydrophobicContact CG-CG 4.43Å; Y147-L188 PolarHBondContact OH-N 3.49Å; V162-L188 HydrophobicContact CG1-CD1 4.3Å; V163-L188 HydrophobicContact CG2-CD1 3.75Å; L166-L188 HydrophobicContact CD1-CD1 3.89Å; L166-L188 HydrophobicContact CD1-CD2 3.48Å; L166-L188 VanDerWaalsContact CD1-CD2 3.48Å; L166-L188 HydrophobicContact CD1-CG 3.65Å; L184-L188 HydrophobicContact CD2-CD2 4.23Å; P185-L188 HydrophobicContact CB-CB 4.34Å; P185-L188 PolarHBondContact O-N 3.38Å; Y186-L188 PolarHBondContact O-N 3.42Å; L188-R190 VanDerWaalsContact C-N 3.31Å; L188-R190 PolarHBondContact O-N 2.95Å; L188-E191 PolarHBondContact O-N 3.17Å; L188-V192 HydrophobicContact CD1-CG2 4.36Å; L188-V192 VanDerWaalsContact O-CG2 3.3Å; L188-V192 WeakPolarHBondContact O-CG2 3.03Å; L188-V192 PolarHBondContact O-N 3.24Å
189	L	95.9	Very high	92.4	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-43.6	178.6	180	60.9	0	0	0	111.2	L184 P185 Y186 E191 V192 L193 L210 W213 L226	L184-L189 HydrophobicContact CD1-CD1 4.38Å; P185-L189 PolarHBondContact O-N 2.97Å; Y186-L189 PolarHBondContact O-N 3.12Å; L189-E191 PolarHBondContact O-N 2.94Å; L189-V192 PolarHBondContact O-N 3.33Å; L189-L193 HydrophobicContact CD1-CD1 4.23Å; L189-L193 HydrophobicContact CD1-CG 4.12Å; L189-L193 HydrophobicContact CG-CD1 4.08Å; L189-L193 HydrophobicContact CG-CG 4.36Å; L189-L193 WeakPolarHBondContact O-CB 3.4Å; L189-L193 VanDerWaalsContact O-CG 3.26Å; L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 3.32Å; L189-L210 HydrophobicContact CD2-CD1 4.33Å; L189-W213 HydrophobicContact CD2-CB 4.39Å; L189-W213 HydrophobicContact CD2-CD2 3.59Å; L189-W213 HydrophobicContact CD2-CE3 4.08Å; L189-W213 HydrophobicContact CD2-CG 3.72Å; L189-W213 HydrophobicContact CD2-CZ2 4.38Å; L189-L226 HydrophobicContact CD2-CD1 4.26Å
190	R	96.7	Very high	92.3	Very high	72 Å²	72	42.4 Å²	42.4	27%	0.272	19%	0.192	S	C	.	.	H	α-helix	trans	-57.7	-48.5	177.6	-173.2	-166.8	-169.5	-156.3	8.2	112.2	Y186 R187 L188 L193 K194 D225 L226	Y186-R190 HydrophobicContact CE2-CB 4.41Å; Y186-R190 VanDerWaalsContact O-CB 3.3Å; Y186-R190 WeakPolarHBondContact O-CB 3.15Å; Y186-R190 PolarHBondContact O-N 3.18Å; R187-R190 WeakPolarHBondContact O-CB 3.44Å; R187-R190 PolarHBondContact O-N 3.41Å; L188-R190 VanDerWaalsContact C-N 3.31Å; L188-R190 PolarHBondContact O-N 2.95Å; R190-L193 PolarHBondContact O-N 3.33Å; R190-K194 WeakPolarHBondContact O-CG 3.39Å; R190-K194 PolarHBondContact O-N 3.1Å; R190-D225 WeakPolarHBondContact CD-OD2 3.15Å; R190-D225 IonicContact CZ-OD1 3.66Å; R190-D225 IonicContact CZ-OD2 3.68Å; R190-D225 IonicContact NE-OD1 3.5Å; R190-D225 PolarHBondContact NE-OD1 2.86Å; R190-D225 IonicContact NE-OD2 3.99Å; R190-D225 PolarHBondContact NE-OD2 3.43Å; R190-D225 IonicContact NH2-OD1 3.25Å; R190-D225 PolarHBondContact NH2-OD1 3.17Å; R190-D225 IonicContact NH2-OD2 3.46Å; R190-L226 HydrophobicContact CB-CD2 3.79Å; R190-L226 HydrophobicContact CG-CD2 4.13Å
191	E	96.3	Very high	92.3	Very high	69 Å²	69	39.4 Å²	39.4	32%	0.322	18%	0.178	S	C	.	.	H	α-helix	trans	-68.6	-35.7	-179.4	-64.4	-48.7	126.3	0	0	112.3	V163 R187 L188 L189 K194 S195	V163-E191 HydrophobicContact CG1-CB 4.3Å; V163-E191 HydrophobicContact CG2-CB 3.99Å; R187-E191 WeakPolarHBondContact O-CG 3.27Å; R187-E191 PolarHBondContact O-N 2.93Å; R187-E191 VanDerWaalsContact O-N 3.09Å; L188-E191 PolarHBondContact O-N 3.17Å; L189-E191 PolarHBondContact O-N 2.94Å; E191-K194 PolarHBondContact O-N 3.14Å; E191-K194 IonicContact OE1-NZ 2.84Å; E191-K194 PolarHBondContact OE1-NZ 2.94Å; E191-K194 IonicContact OE2-NZ 2.72Å; E191-S195 PolarHBondContact O-N 2.68Å
192	V	95.8	Very high	92.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-45.6	171.9	171.8	0	0	0	0	111.2	V163 L166 V167 L170 L188 L189 K194 S195 L198	V163-V192 HydrophobicContact CG1-CG2 4.24Å; L166-V192 HydrophobicContact CB-CG2 3.84Å; L166-V192 HydrophobicContact CD1-CG2 4.25Å; V167-V192 HydrophobicContact CG2-CB 4.37Å; V167-V192 HydrophobicContact CG2-CG1 4.01Å; V167-V192 HydrophobicContact CG2-CG2 4.37Å; L170-V192 HydrophobicContact CD2-CG1 3.96Å; L188-V192 HydrophobicContact CD1-CG2 4.36Å; L188-V192 VanDerWaalsContact O-CG2 3.3Å; L188-V192 WeakPolarHBondContact O-CG2 3.03Å; L188-V192 PolarHBondContact O-N 3.24Å; L189-V192 PolarHBondContact O-N 3.33Å; V192-K194 VanDerWaalsContact C-N 3.32Å; V192-K194 PolarHBondContact O-N 3.18Å; V192-S195 WeakPolarHBondContact O-CB 3.49Å; V192-S195 PolarHBondContact O-N 3.03Å; V192-L198 HydrophobicContact CG1-CD1 4.36Å; V192-L198 HydrophobicContact CG1-CD2 4.32Å
193	L	95.3	Very high	92.4	Very high	3 Å²	3	41 Å²	41	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-67.7	-27.8	179.8	-68.6	179.7	0	0	0	113.5	L189 R190 S195 L198 I206 L210 L226 H229 R284	L189-L193 HydrophobicContact CD1-CD1 4.23Å; L189-L193 HydrophobicContact CD1-CG 4.12Å; L189-L193 HydrophobicContact CG-CD1 4.08Å; L189-L193 HydrophobicContact CG-CG 4.36Å; L189-L193 WeakPolarHBondContact O-CB 3.4Å; L189-L193 VanDerWaalsContact O-CG 3.26Å; L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 3.32Å; R190-L193 PolarHBondContact O-N 3.33Å; L193-S195 VanDerWaalsContact C-N 3.33Å; L193-L198 HydrophobicContact CD2-CD2 4.31Å; L193-I206 HydrophobicContact CD2-CG2 3.38Å; L193-L210 HydrophobicContact CD1-CD1 4.32Å; L193-L210 HydrophobicContact CD1-CD2 4.32Å; L193-L226 HydrophobicContact CD1-CD2 4.34Å; L193-H229 HydrophobicContact CB-CB 3.83Å; L193-R284 PolarHBondContact O-NH1 3.35Å; L193-R284 PolarHBondContact O-NH2 3.16Å; L193-R284 VanDerWaalsContact O-NH2 3.09Å
194	K	94.6	Very high	92.5	Very high	75 Å²	75	39 Å²	39	33%	0.326	18%	0.181	S	C	.	.	H	α-helix	trans	-71	-27.3	174.4	-76.2	172.4	179.9	171.6	0	113.2	R190 E191 V192 D196 H229	R190-K194 WeakPolarHBondContact O-CG 3.39Å; R190-K194 PolarHBondContact O-N 3.1Å; E191-K194 PolarHBondContact O-N 3.14Å; E191-K194 IonicContact OE1-NZ 2.84Å; E191-K194 PolarHBondContact OE1-NZ 2.94Å; E191-K194 IonicContact OE2-NZ 2.72Å; V192-K194 VanDerWaalsContact C-N 3.32Å; V192-K194 PolarHBondContact O-N 3.18Å; K194-D196 PolarHBondContact O-N 2.79Å; K194-H229 VanDerWaalsContact CE-CE1 3.45Å; K194-H229 WeakPolarHBondContact CE-CE1 3.46Å; K194-H229 VanDerWaalsContact CE-NE2 3.31Å; K194-H229 WeakPolarHBondContact CE-NE2 2.75Å
195	S	93	Very high	92.4	Very high	19 Å²	19	41.5 Å²	41.5	13%	0.133	19%	0.192	C	C	.	.			trans	-65.1	124	-171.6	-176	0	0	0	0	113.4	E191 V192 L193 R197 L198 R284	E191-S195 PolarHBondContact O-N 2.68Å; V192-S195 WeakPolarHBondContact O-CB 3.49Å; V192-S195 PolarHBondContact O-N 3.03Å; L193-S195 VanDerWaalsContact C-N 3.33Å; S195-R197 PolarHBondContact O-N 3.25Å; S195-R197 PolarHBondContact OG-N 3.17Å; S195-L198 PolarHBondContact O-N 3.16Å; S195-R284 PolarHBondContact O-NH1 2.95Å
196	D	90.1	Very high	92.3	Very high	59 Å²	59	39.7 Å²	39.7	32%	0.316	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.9	169.5	-85.2	-31.9	0	0	0	112.6	K194 L198 R231 R282 R284 F285	K194-D196 PolarHBondContact O-N 2.79Å; D196-L198 VanDerWaalsContact C-N 3.32Å; D196-L198 PolarHBondContact O-N 2.82Å; D196-R231 IonicContact OD1-CZ 3.38Å; D196-R231 IonicContact OD1-NH1 3.75Å; D196-R231 PolarHBondContact OD1-NH1 3.43Å; D196-R231 IonicContact OD1-NH2 3.55Å; D196-R231 PolarHBondContact OD1-NH2 3.47Å; D196-R282 IonicContact OD2-NH1 2.62Å; D196-R284 CarbonylContact O-C 3.59Å; D196-R284 WeakPolarHBondContact O-CA 3.45Å; D196-R284 VanDerWaalsContact O-CB 3.29Å; D196-R284 WeakPolarHBondContact O-CB 3.45Å; D196-F285 PolarHBondContact O-N 2.93Å; D196-F285 VanDerWaalsContact O-O 3.07Å
197	R	89.4	Confident	92.3	Very high	122 Å²	122	37.3 Å²	37.3	46%	0.46	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.3	-179.2	-60.3	-170.7	-67.4	-93.2	6.4	113.7	V167 S195 T199	V167-R197 HydrophobicContact CG1-CB 3.74Å; V167-R197 WeakPolarHBondContact CG1-O 3.34Å; S195-R197 PolarHBondContact O-N 3.25Å; S195-R197 PolarHBondContact OG-N 3.17Å; R197-T199 PolarHBondContact O-N 3.43Å; R197-T199 PolarHBondContact O-OG1 3.46Å
198	L	90.1	Very high	92.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.			trans	-72.7	73	176.8	-178.3	64.4	0	0	0	110.8	V167 L170 V192 L193 S195 D196 I206 R284	V167-L198 HydrophobicContact CG1-CB 4.2Å; V167-L198 WeakPolarHBondContact O-CD1 3.44Å; L170-L198 HydrophobicContact CB-CD1 4.06Å; L170-L198 HydrophobicContact CD2-CD1 3.75Å; L170-L198 HydrophobicContact CD2-CD2 4.18Å; V192-L198 HydrophobicContact CG1-CD1 4.36Å; V192-L198 HydrophobicContact CG1-CD2 4.32Å; L193-L198 HydrophobicContact CD2-CD2 4.31Å; S195-L198 PolarHBondContact O-N 3.16Å; D196-L198 VanDerWaalsContact C-N 3.32Å; D196-L198 PolarHBondContact O-N 2.82Å; L198-I206 HydrophobicContact CD2-CD1 3.75Å; L198-I206 HydrophobicContact CD2-CG1 4.19Å; L198-I206 HydrophobicContact CG-CD1 4.23Å; L198-R284 WeakPolarHBondContact O-CD 3.43Å
199	T	85.8	Confident	92.2	Very high	16 Å²	16	36.1 Å²	36.1	10%	0.098	17%	0.17	C	C	.	.			trans	-96.8	-6.4	-175.7	55.8	0	0	0	0	113.5	R197 L201 R284 Q286 Y600	R197-T199 PolarHBondContact O-N 3.43Å; R197-T199 PolarHBondContact O-OG1 3.46Å; T199-L201 VanDerWaalsContact C-N 3.31Å; T199-L201 PolarHBondContact O-N 3.29Å; T199-R284 HydrophobicContact CG2-CB 4.24Å; T199-Q286 HydrophobicContact CG2-CG 4.3Å; T199-Y600 VanDerWaalsContact O-CD1 3.24Å; T199-Y600 WeakPolarHBondContact O-CD1 3.5Å
200	S	83.1	Confident	92.2	Very high	19 Å²	19	36 Å²	36	13%	0.133	17%	0.17	C	C	.	.	S	Bend	trans	-75.2	-15.8	-174.2	58.8	0	0	0	0	114.2	V167	V167-S200 PolarHBondContact O-OG 3.41Å
201	L	87.5	Confident	92	Very high	11 Å²	11	33 Å²	33	6%	0.058	16%	0.159	C	C	.	.	S	Bend	trans	-130.5	148.1	-179.7	-65.4	178.5	0	0	0	110.9	L170 T199 E205 I206 L209	L170-L201 HydrophobicContact CD2-CD1 3.9Å; L170-L201 HydrophobicContact CG-CD1 4.01Å; T199-L201 VanDerWaalsContact C-N 3.31Å; T199-L201 PolarHBondContact O-N 3.29Å; L201-E205 HydrophobicContact CB-CB 4.18Å; L201-E205 HydrophobicContact CD2-CB 4.31Å; L201-I206 HydrophobicContact CB-CD1 4.38Å; L201-I206 HydrophobicContact CB-CG1 3.8Å; L201-I206 HydrophobicContact CD1-CG1 4.33Å; L201-L209 HydrophobicContact CD1-CD2 4.48Å
202	S	89.6	Confident	91.9	Very high	41 Å²	41	33.2 Å²	33.2	29%	0.287	16%	0.162	S	C	.	.			trans	-73.1	160.9	166.5	62.3	0	0	0	0	111.8	E204 E205 I206	S202-E204 VanDerWaalsContact C-N 3.28Å; S202-E204 PolarHBondContact O-N 3.09Å; S202-E205 WeakPolarHBondContact CB-OE2 3.4Å; S202-E205 PolarHBondContact N-OE2 3.45Å; S202-E205 VanDerWaalsContact O-CB 3.31Å; S202-E205 WeakPolarHBondContact O-CB 3.42Å; S202-E205 PolarHBondContact O-N 2.93Å; S202-E205 WeakPolarHBondContact OG-CB 3.32Å; S202-E205 VanDerWaalsContact OG-CD 3.3Å; S202-E205 WeakPolarHBondContact OG-CG 3.28Å; S202-E205 PolarHBondContact OG-N 3.34Å; S202-E205 PolarHBondContact OG-OE2 3.07Å; S202-I206 WeakPolarHBondContact O-CG1 3.37Å; S202-I206 PolarHBondContact O-N 3.32Å
203	E	92.2	Very high	91.9	Very high	12 Å²	12	33.4 Å²	33.4	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-32.8	179.2	-67.3	-64.8	158.5	0	0	112.9	E205 I206 W207 R231 L234 M235 R284	E203-E205 VanDerWaalsContact C-N 3.28Å; E203-E205 PolarHBondContact O-N 3.38Å; E203-I206 PolarHBondContact O-N 3.06Å; E203-W207 WeakPolarHBondContact O-CB 3.5Å; E203-W207 PolarHBondContact O-N 2.93Å; E203-R231 VanDerWaalsContact CD-CB 3.48Å; E203-R231 HydrophobicContact CG-CB 3.89Å; E203-R231 PolarHBondContact OE2-N 3.27Å; E203-L234 HydrophobicContact CG-CB 3.88Å; E203-L234 HydrophobicContact CG-CD1 3.89Å; E203-L234 HydrophobicContact CG-CG 4.38Å; E203-M235 HydrophobicContact CB-CE 4.14Å; E203-M235 HydrophobicContact CB-CG 4.05Å; E203-M235 WeakPolarHBondContact O-CE 3.5Å; E203-R284 WeakPolarHBondContact OE1-CD 3.26Å; E203-R284 IonicContact OE1-CZ 2.74Å; E203-R284 IonicContact OE1-NE 3.33Å; E203-R284 PolarHBondContact OE1-NE 3.39Å; E203-R284 IonicContact OE1-NH2 3.11Å; E203-R284 IonicContact OE2-NH2 2.62Å
204	E	92.3	Very high	91.9	Very high	60 Å²	60	33.3 Å²	33.3	28%	0.28	16%	0.162	S	C	.	.	H	α-helix	trans	-62.2	-39.1	172.5	-175.4	-171.7	162.9	0	0	111.3	S202 W207 K208 T239	S202-E204 VanDerWaalsContact C-N 3.28Å; S202-E204 PolarHBondContact O-N 3.09Å; E204-W207 WeakPolarHBondContact O-CB 3.19Å; E204-W207 PolarHBondContact O-N 3.06Å; E204-K208 HydrophobicContact CG-CD 4.5Å; E204-K208 WeakPolarHBondContact O-CG 3.49Å; E204-K208 PolarHBondContact O-N 2.74Å; E204-K208 WeakPolarHBondContact OE1-CE 3.5Å; E204-K208 IonicContact OE1-NZ 3.63Å; E204-K208 PolarHBondContact OE1-NZ 3.32Å; E204-T239 HydrophobicContact CG-CG2 4Å
205	E	91.9	Very high	91.8	Very high	55 Å²	55	34 Å²	34	26%	0.257	17%	0.167	S	C	.	.	H	α-helix	trans	-71.3	-39.3	177.8	-79.8	178.6	118.9	0	0	113.2	R174 L201 S202 E203 W207 K208 L209	R174-E205 IonicContact CZ-OE1 3.95Å; R174-E205 VanDerWaalsContact NH1-CD 3.34Å; R174-E205 IonicContact NH1-OE1 3.92Å; R174-E205 PolarHBondContact NH1-OE1 3.39Å; R174-E205 IonicContact NH2-OE1 2.83Å; R174-E205 PolarHBondContact NH2-OE1 3.47Å; L201-E205 HydrophobicContact CB-CB 4.18Å; L201-E205 HydrophobicContact CD2-CB 4.31Å; S202-E205 WeakPolarHBondContact CB-OE2 3.4Å; S202-E205 PolarHBondContact N-OE2 3.45Å; S202-E205 VanDerWaalsContact O-CB 3.31Å; S202-E205 WeakPolarHBondContact O-CB 3.42Å; S202-E205 PolarHBondContact O-N 2.93Å; S202-E205 WeakPolarHBondContact OG-CB 3.32Å; S202-E205 VanDerWaalsContact OG-CD 3.3Å; S202-E205 WeakPolarHBondContact OG-CG 3.28Å; S202-E205 PolarHBondContact OG-N 3.34Å; S202-E205 PolarHBondContact OG-OE2 3.07Å; E203-E205 VanDerWaalsContact C-N 3.28Å; E203-E205 PolarHBondContact O-N 3.38Å; E205-W207 VanDerWaalsContact C-N 3.32Å; E205-K208 PolarHBondContact O-N 3.02Å; E205-L209 WeakPolarHBondContact O-CB 3.46Å; E205-L209 PolarHBondContact O-N 3.34Å
206	I	94.2	Very high	91.7	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-45	172.1	-67.8	168.4	0	0	0	109.6	L193 L198 L201 S202 E203 L209 L210 V230	L193-I206 HydrophobicContact CD2-CG2 3.38Å; L198-I206 HydrophobicContact CD2-CD1 3.75Å; L198-I206 HydrophobicContact CD2-CG1 4.19Å; L198-I206 HydrophobicContact CG-CD1 4.23Å; L201-I206 HydrophobicContact CB-CD1 4.38Å; L201-I206 HydrophobicContact CB-CG1 3.8Å; L201-I206 HydrophobicContact CD1-CG1 4.33Å; S202-I206 WeakPolarHBondContact O-CG1 3.37Å; S202-I206 PolarHBondContact O-N 3.32Å; E203-I206 PolarHBondContact O-N 3.06Å; I206-L209 PolarHBondContact O-N 3.44Å; I206-L210 WeakPolarHBondContact O-CB 3.3Å; I206-L210 PolarHBondContact O-N 2.8Å; I206-V230 HydrophobicContact CG2-CG2 4.09Å
207	W	95	Very high	91.6	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-57.4	-50.8	175.5	176.4	-113.3	0	0	0	112.3	E203 E204 E205 L209 L210 V211 L227 V230 Y232 M235 L249 V250	E203-W207 WeakPolarHBondContact O-CB 3.5Å; E203-W207 PolarHBondContact O-N 2.93Å; E204-W207 WeakPolarHBondContact O-CB 3.19Å; E204-W207 PolarHBondContact O-N 3.06Å; E205-W207 VanDerWaalsContact C-N 3.32Å; W207-L209 VanDerWaalsContact C-N 3.34Å; W207-L209 PolarHBondContact O-N 3.21Å; W207-L210 PolarHBondContact O-N 3.38Å; W207-V211 HydrophobicContact CD2-CG2 4.01Å; W207-V211 HydrophobicContact CE3-CG2 4.49Å; W207-V211 HydrophobicContact CH2-CG2 4.34Å; W207-V211 HydrophobicContact CZ2-CG2 3.79Å; W207-V211 WeakPolarHBondContact O-CG2 3.35Å; W207-V211 PolarHBondContact O-N 2.88Å; W207-L227 HydrophobicContact CE3-CD2 4.12Å; W207-L227 HydrophobicContact CH2-CD1 4.48Å; W207-L227 HydrophobicContact CH2-CD2 3.44Å; W207-L227 VanDerWaalsContact CH2-CD2 3.44Å; W207-L227 HydrophobicContact CH2-CG 4.38Å; W207-L227 HydrophobicContact CZ3-CB 4.2Å; W207-L227 HydrophobicContact CZ3-CD2 3.08Å; W207-L227 HydrophobicContact CZ3-CG 4.06Å; W207-V230 HydrophobicContact CB-CG1 4.14Å; W207-V230 HydrophobicContact CE3-CB 4.43Å; W207-V230 HydrophobicContact CE3-CG1 4.29Å; W207-V230 HydrophobicContact CE3-CG2 4.14Å; W207-Y232 HydrophobicContact CD2-CE1 4.24Å; W207-Y232 AromaticContact CE3-CE1 3.9Å; W207-Y232 HydrophobicContact CE3-CE1 3.9Å; W207-Y232 AromaticContact CE3-CZ 3.92Å; W207-Y232 HydrophobicContact CH2-CE1 4.24Å; W207-Y232 VanDerWaalsContact CH2-OH 3.29Å; W207-Y232 WeakPolarHBondContact CH2-OH 3.37Å; W207-Y232 AromaticContact CZ3-CE1 3.9Å; W207-Y232 HydrophobicContact CZ3-CE1 3.9Å; W207-Y232 AromaticContact CZ3-CZ 3.65Å; W207-Y232 WeakPolarHBondContact CZ3-OH 3.38Å; W207-M235 HydrophobicContact CB-CE 3.64Å; W207-M235 HydrophobicContact CG-CE 4.13Å; W207-L249 HydrophobicContact CH2-CD2 3.92Å; W207-L249 HydrophobicContact CZ2-CD2 4.13Å; W207-V250 HydrophobicContact CZ2-CG2 3.98Å
208	K	93.4	Very high	91.7	Very high	107 Å²	107	41.3 Å²	41.3	47%	0.465	20%	0.198	S	C	.	.	H	α-helix	trans	-58.8	-44.3	178.4	-74.3	170.9	-176	169.7	0	112.1	E204 E205 L210 V211 L212	E204-K208 HydrophobicContact CG-CD 4.5Å; E204-K208 WeakPolarHBondContact O-CG 3.49Å; E204-K208 PolarHBondContact O-N 2.74Å; E204-K208 WeakPolarHBondContact OE1-CE 3.5Å; E204-K208 IonicContact OE1-NZ 3.63Å; E204-K208 PolarHBondContact OE1-NZ 3.32Å; E205-K208 PolarHBondContact O-N 3.02Å; K208-L210 VanDerWaalsContact C-N 3.33Å; K208-L210 PolarHBondContact O-N 3.36Å; K208-V211 PolarHBondContact O-N 3.25Å; K208-L212 VanDerWaalsContact O-CG 3.31Å; K208-L212 WeakPolarHBondContact O-CG 3.39Å; K208-L212 PolarHBondContact O-N 2.89Å; K208-L212 VanDerWaalsContact O-N 3.09Å
209	L	94.4	Very high	91.8	Very high	9 Å²	9	43 Å²	43	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-44.9	176.4	175.4	62.9	0	0	0	111.3	L170 R174 A181 L201 E205 I206 W207 L212 W213	L170-L209 HydrophobicContact CD1-CD2 4.17Å; L170-L209 HydrophobicContact CD2-CD2 3.98Å; L170-L209 HydrophobicContact CG-CD2 4.14Å; R174-L209 HydrophobicContact CG-CD1 4.39Å; A181-L209 HydrophobicContact CB-CD1 4.2Å; L201-L209 HydrophobicContact CD1-CD2 4.48Å; E205-L209 WeakPolarHBondContact O-CB 3.46Å; E205-L209 PolarHBondContact O-N 3.34Å; I206-L209 PolarHBondContact O-N 3.44Å; W207-L209 VanDerWaalsContact C-N 3.34Å; W207-L209 PolarHBondContact O-N 3.21Å; L209-L212 PolarHBondContact O-N 3.3Å; L209-W213 WeakPolarHBondContact O-CB 3.19Å; L209-W213 PolarHBondContact O-N 3.22Å
210	L	95.4	Very high	92.1	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-65.4	-43	-179.6	177.5	57.8	0	0	0	112.3	L189 L193 I206 W207 K208 L212 W213 L214 L226 L227 V230	L189-L210 HydrophobicContact CD2-CD1 4.33Å; L193-L210 HydrophobicContact CD1-CD1 4.32Å; L193-L210 HydrophobicContact CD1-CD2 4.32Å; I206-L210 WeakPolarHBondContact O-CB 3.3Å; I206-L210 PolarHBondContact O-N 2.8Å; W207-L210 PolarHBondContact O-N 3.38Å; K208-L210 VanDerWaalsContact C-N 3.33Å; K208-L210 PolarHBondContact O-N 3.36Å; L210-L212 PolarHBondContact O-N 3.48Å; L210-W213 PolarHBondContact O-N 3.01Å; L210-L214 HydrophobicContact CD1-CD1 4.2Å; L210-L214 HydrophobicContact CD1-CG 4.17Å; L210-L214 HydrophobicContact CG-CD1 4.12Å; L210-L214 WeakPolarHBondContact O-CG 3.27Å; L210-L214 PolarHBondContact O-N 2.87Å; L210-L226 HydrophobicContact CD1-CB 3.66Å; L210-L226 HydrophobicContact CD1-CD1 3.66Å; L210-L226 HydrophobicContact CD1-CG 4.26Å; L210-L226 HydrophobicContact CD2-CB 3.95Å; L210-L226 HydrophobicContact CG-CB 4.43Å; L210-L227 HydrophobicContact CD2-CD2 3.72Å; L210-L227 HydrophobicContact CD2-CG 4.46Å; L210-L227 HydrophobicContact CG-CD2 4.2Å; L210-V230 HydrophobicContact CD2-CG2 3.81Å
211	V	93.8	Very high	92.6	Very high	9 Å²	9	53.6 Å²	53.6	6%	0.055	25%	0.247	C	C	.	.	H	α-helix	trans	-59.2	-48.1	175.9	171.6	0	0	0	0	110.5	W207 K208 W213 L214 E215 L249	W207-V211 HydrophobicContact CD2-CG2 4.01Å; W207-V211 HydrophobicContact CE3-CG2 4.49Å; W207-V211 HydrophobicContact CH2-CG2 4.34Å; W207-V211 HydrophobicContact CZ2-CG2 3.79Å; W207-V211 WeakPolarHBondContact O-CG2 3.35Å; W207-V211 PolarHBondContact O-N 2.88Å; K208-V211 PolarHBondContact O-N 3.25Å; V211-W213 VanDerWaalsContact C-N 3.29Å; V211-W213 PolarHBondContact O-N 3.36Å; V211-L214 PolarHBondContact O-N 2.95Å; V211-L214 VanDerWaalsContact O-N 3.17Å; V211-E215 HydrophobicContact CG1-CG 4.38Å; V211-E215 WeakPolarHBondContact O-CG 3.43Å; V211-E215 PolarHBondContact O-N 3.16Å; V211-L249 HydrophobicContact CG2-CD2 3.93Å
212	L	93.9	Very high	92.9	Very high	72 Å²	72	56.7 Å²	56.7	38%	0.377	26%	0.258	S	S	.	.	H	α-helix	trans	-60.3	-39.3	177.2	-69.7	170.2	0	0	0	112.1	L182 K208 L209 L210 H216	L182-L212 HydrophobicContact CD2-CB 3.92Å; K208-L212 VanDerWaalsContact O-CG 3.31Å; K208-L212 WeakPolarHBondContact O-CG 3.39Å; K208-L212 PolarHBondContact O-N 2.89Å; K208-L212 VanDerWaalsContact O-N 3.09Å; L209-L212 PolarHBondContact O-N 3.3Å; L210-L212 PolarHBondContact O-N 3.48Å; L212-H216 WeakPolarHBondContact O-CB 3.45Å; L212-H216 PolarHBondContact O-N 2.79Å
213	W	95.6	Very high	93.1	Very high	6 Å²	6	55 Å²	55	2%	0.023	25%	0.247	C	C	.	.	H	α-helix	trans	-67.5	-34.3	177.4	-174.9	99.1	0	0	0	113.1	L182 L184 L189 L209 L210 V211 R219 Y222 L226	L182-W213 HydrophobicContact CD2-CB 4.31Å; L184-W213 WeakPolarHBondContact O-CZ2 3.38Å; L184-W213 PolarHBondContact O-NE1 3.38Å; L189-W213 HydrophobicContact CD2-CB 4.39Å; L189-W213 HydrophobicContact CD2-CD2 3.59Å; L189-W213 HydrophobicContact CD2-CE3 4.08Å; L189-W213 HydrophobicContact CD2-CG 3.72Å; L189-W213 HydrophobicContact CD2-CZ2 4.38Å; L209-W213 WeakPolarHBondContact O-CB 3.19Å; L209-W213 PolarHBondContact O-N 3.22Å; L210-W213 PolarHBondContact O-N 3.01Å; V211-W213 VanDerWaalsContact C-N 3.29Å; V211-W213 PolarHBondContact O-N 3.36Å; W213-R219 HydrophobicContact CE3-CB 4.44Å; W213-R219 HydrophobicContact CH2-CB 4.27Å; W213-R219 HydrophobicContact CZ3-CB 3.88Å; W213-R219 PolarHBondContact O-NH1 2.78Å; W213-Y222 AromaticContact CH2-CD2 3.85Å; W213-Y222 HydrophobicContact CH2-CD2 3.85Å; W213-Y222 HydrophobicContact CH2-CE2 4.37Å; W213-Y222 HydrophobicContact CZ3-CD2 4.07Å; W213-L226 HydrophobicContact CE3-CD1 4.02Å; W213-L226 HydrophobicContact CH2-CD1 4.28Å; W213-L226 HydrophobicContact CZ3-CD1 3.64Å
214	L	94.4	Very high	93	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-73.8	-39.7	176.6	-73.1	169.5	0	0	0	112.3	L210 V211 H216 R219 Y220 A223 L226 L227 L249	L210-L214 HydrophobicContact CD1-CD1 4.2Å; L210-L214 HydrophobicContact CD1-CG 4.17Å; L210-L214 HydrophobicContact CG-CD1 4.12Å; L210-L214 WeakPolarHBondContact O-CG 3.27Å; L210-L214 PolarHBondContact O-N 2.87Å; V211-L214 PolarHBondContact O-N 2.95Å; V211-L214 VanDerWaalsContact O-N 3.17Å; L214-H216 VanDerWaalsContact C-N 3.29Å; L214-R219 WeakPolarHBondContact CD2-O 3.36Å; L214-R219 PolarHBondContact O-N 2.76Å; L214-Y220 HydrophobicContact CB-CD1 4.5Å; L214-Y220 HydrophobicContact CB-CE1 4.49Å; L214-A223 HydrophobicContact CD1-CB 4.11Å; L214-A223 HydrophobicContact CD2-CB 4.24Å; L214-L226 HydrophobicContact CD2-CD1 4.48Å; L214-L227 HydrophobicContact CD1-CD2 3.79Å; L214-L249 HydrophobicContact CD1-CD2 4.28Å
215	E	92.3	Very high	93.2	Very high	91 Å²	91	59.2 Å²	59.2	43%	0.425	27%	0.267	S	S	.	.	H	α-helix	trans	-65.8	-35.8	174.9	-72.7	176.1	173.4	0	0	111	V211 D217 Y218 Y220	V211-E215 HydrophobicContact CG1-CG 4.38Å; V211-E215 WeakPolarHBondContact O-CG 3.43Å; V211-E215 PolarHBondContact O-N 3.16Å; E215-D217 PolarHBondContact O-N 2.98Å; E215-Y218 PolarHBondContact O-N 3.06Å; E215-Y220 WeakPolarHBondContact CG-OH 3.49Å
216	H	90.5	Very high	93.4	Very high	54 Å²	54	56.6 Å²	56.6	25%	0.25	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-63.9	122.7	172.7	-170.4	-71.3	0	0	0	110.8	L182 Q183 L212 L214 Y218 R219	L182-H216 HydrophobicContact CB-CB 4.49Å; L182-H216 HydrophobicContact CD2-CB 4.42Å; Q183-H216 PolarHBondContact NE2-CE1 2.82Å; L212-H216 WeakPolarHBondContact O-CB 3.45Å; L212-H216 PolarHBondContact O-N 2.79Å; L214-H216 VanDerWaalsContact C-N 3.29Å; H216-Y218 PolarHBondContact O-N 3.31Å; H216-R219 PolarHBondContact ND1-NH2 2.97Å; H216-R219 WeakPolarHBondContact O-CD 3.31Å; H216-R219 WeakPolarHBondContact O-CG 3.32Å; H216-R219 PolarHBondContact O-NE 3.12Å
217	D	89.4	Confident	93.4	Very high	100 Å²	100	56.5 Å²	56.5	54%	0.535	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	55.9	23.3	-174.9	-53.9	-35.8	0	0	0	116	E215 R219	E215-D217 PolarHBondContact O-N 2.98Å; D217-R219 VanDerWaalsContact C-N 3.32Å; D217-R219 HydrophobicContact CB-CG 4.12Å; D217-R219 PolarHBondContact O-N 3.01Å; D217-R219 IonicContact OD2-CZ 2.89Å; D217-R219 IonicContact OD2-NE 3.05Å; D217-R219 IonicContact OD2-NH2 3.53Å; D217-R219 PolarHBondContact OD2-NH2 2.74Å
218	Y	90.3	Very high	93.4	Very high	199 Å²	199	60.4 Å²	60.4	78%	0.78	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	55	41.3	175.5	-55.6	-89.4	0	0	0	114.1	E215 H216 Y220	E215-Y218 PolarHBondContact O-N 3.06Å; H216-Y218 PolarHBondContact O-N 3.31Å; Y218-Y220 HydrophobicContact CD1-CE2 4.18Å; Y218-Y220 PolarHBondContact O-N 3.4Å
219	R	93.8	Very high	93.5	Very high	35 Å²	35	56.9 Å²	56.9	13%	0.132	26%	0.258	C	S	.	.			trans	-78.9	28.2	-172.2	-64.6	173.7	-165.6	146.7	-7.6	114.5	L182 W213 L214 H216 D217 Q221 Y222	L182-R219 PolarHBondContact O-NH1 2.83Å; L182-R219 PolarHBondContact O-NH2 2.84Å; W213-R219 HydrophobicContact CE3-CB 4.44Å; W213-R219 HydrophobicContact CH2-CB 4.27Å; W213-R219 HydrophobicContact CZ3-CB 3.88Å; W213-R219 PolarHBondContact O-NH1 2.78Å; L214-R219 WeakPolarHBondContact CD2-O 3.36Å; L214-R219 PolarHBondContact O-N 2.76Å; H216-R219 PolarHBondContact ND1-NH2 2.97Å; H216-R219 WeakPolarHBondContact O-CD 3.31Å; H216-R219 WeakPolarHBondContact O-CG 3.32Å; H216-R219 PolarHBondContact O-NE 3.12Å; D217-R219 VanDerWaalsContact C-N 3.32Å; D217-R219 HydrophobicContact CB-CG 4.12Å; D217-R219 PolarHBondContact O-N 3.01Å; D217-R219 IonicContact OD2-CZ 2.89Å; D217-R219 IonicContact OD2-NE 3.05Å; D217-R219 IonicContact OD2-NH2 3.53Å; D217-R219 PolarHBondContact OD2-NH2 2.74Å; R219-Q221 PolarHBondContact O-N 2.96Å; R219-Y222 HydrophobicContact CB-CD2 4.14Å; R219-Y222 PolarHBondContact O-N 2.93Å; R219-Y222 VanDerWaalsContact O-N 3.08Å
220	Y	91.9	Very high	93.5	Very high	102 Å²	102	56.5 Å²	56.5	40%	0.4	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-60.2	-17.2	-174.6	-63.2	-74.5	0	0	0	114.7	L214 E215 Y218 Y222 A223 L249	L214-Y220 HydrophobicContact CB-CD1 4.5Å; L214-Y220 HydrophobicContact CB-CE1 4.49Å; E215-Y220 WeakPolarHBondContact CG-OH 3.49Å; Y218-Y220 HydrophobicContact CD1-CE2 4.18Å; Y218-Y220 PolarHBondContact O-N 3.4Å; Y220-Y222 PolarHBondContact O-N 2.9Å; Y220-A223 WeakPolarHBondContact O-CB 3.34Å; Y220-A223 PolarHBondContact O-N 3.09Å; Y220-L249 HydrophobicContact CD1-CD1 3.95Å; Y220-L249 HydrophobicContact CE1-CD1 3.88Å
221	Q	93.1	Very high	93.5	Very high	156 Å²	156	56.9 Å²	56.9	73%	0.729	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-58.9	-24.1	172.9	69.4	-174.8	14.1	0	0	113.8	R219	R219-Q221 PolarHBondContact O-N 2.96Å
222	Y	94.3	Very high	93.5	Very high	75 Å²	75	56.8 Å²	56.8	29%	0.294	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-95.5	-0.8	177.8	-55.1	-64.1	0	0	0	113.3	Y186 W213 R219 Y220 E224 D225 L226	Y186-Y222 HydrophobicContact CD1-CD1 4.13Å; Y186-Y222 AromaticContact CD1-CE1 3.9Å; Y186-Y222 HydrophobicContact CD1-CE1 3.9Å; Y186-Y222 AromaticContact CD2-CD1 3.55Å; Y186-Y222 HydrophobicContact CD2-CD1 3.55Å; Y186-Y222 HydrophobicContact CD2-CD2 4.39Å; Y186-Y222 HydrophobicContact CD2-CE1 4.12Å; Y186-Y222 AromaticContact CD2-CG 3.71Å; Y186-Y222 HydrophobicContact CD2-CG 3.71Å; Y186-Y222 HydrophobicContact CE1-CD1 4.26Å; Y186-Y222 HydrophobicContact CE1-CE1 4.24Å; Y186-Y222 AromaticContact CE2-CD1 3.72Å; Y186-Y222 HydrophobicContact CE2-CD1 3.72Å; Y186-Y222 HydrophobicContact CE2-CE1 4.45Å; Y186-Y222 HydrophobicContact CE2-CG 4.14Å; Y186-Y222 AromaticContact CG-CD1 3.78Å; Y186-Y222 HydrophobicContact CG-CD1 3.78Å; Y186-Y222 AromaticContact CG-CE1 3.84Å; Y186-Y222 HydrophobicContact CG-CE1 3.84Å; Y186-Y222 HydrophobicContact CG-CG 4.14Å; W213-Y222 AromaticContact CH2-CD2 3.85Å; W213-Y222 HydrophobicContact CH2-CD2 3.85Å; W213-Y222 HydrophobicContact CH2-CE2 4.37Å; W213-Y222 HydrophobicContact CZ3-CD2 4.07Å; R219-Y222 HydrophobicContact CB-CD2 4.14Å; R219-Y222 PolarHBondContact O-N 2.93Å; R219-Y222 VanDerWaalsContact O-N 3.08Å; Y220-Y222 PolarHBondContact O-N 2.9Å; Y222-E224 PolarHBondContact O-N 3.44Å; Y222-D225 PolarHBondContact O-N 2.85Å; Y222-L226 WeakPolarHBondContact O-CG 3.42Å; Y222-L226 PolarHBondContact O-N 3.29Å
223	A	92.6	Very high	93.4	Very high	5 Å²	5	53.5 Å²	53.5	4%	0.041	24%	0.24	C	C	.	.	H	α-helix	trans	-58.9	-52.8	-173.6	0	0	0	0	0	111.3	L214 Y220 D225 L226 L227	L214-A223 HydrophobicContact CD1-CB 4.11Å; L214-A223 HydrophobicContact CD2-CB 4.24Å; Y220-A223 WeakPolarHBondContact O-CB 3.34Å; Y220-A223 PolarHBondContact O-N 3.09Å; A223-D225 VanDerWaalsContact C-N 3.25Å; A223-D225 PolarHBondContact O-N 3.49Å; A223-D225 VanDerWaalsContact O-N 3.13Å; A223-L226 PolarHBondContact O-N 3.31Å; A223-L227 HydrophobicContact CB-CD1 3.97Å; A223-L227 HydrophobicContact CB-CG 4.43Å; A223-L227 WeakPolarHBondContact O-CB 3.39Å; A223-L227 WeakPolarHBondContact O-CD1 3.42Å; A223-L227 WeakPolarHBondContact O-CG 3.35Å; A223-L227 PolarHBondContact O-N 2.58Å
224	E	91.5	Very high	93.2	Very high	126 Å²	126	54.7 Å²	54.7	59%	0.589	25%	0.247	S	C	*	.	H	α-helix	trans	-55.5	-39.2	-176.4	-63.7	-175	172.6	0	0	113.4	Y222	Y222-E224 PolarHBondContact O-N 3.44Å
225	D	95	Very high	93.1	Very high	35 Å²	35	55 Å²	55	19%	0.187	25%	0.248	C	C	.	.	H	α-helix	trans	-81.2	-31.4	-179.8	178.1	66.9	0	0	0	113.8	Y186 R190 Y222 A223 Q228 H229	Y186-D225 WeakPolarHBondContact CE2-OD2 3.3Å; Y186-D225 PolarHBondContact OH-OD2 3.27Å; R190-D225 WeakPolarHBondContact CD-OD2 3.15Å; R190-D225 IonicContact CZ-OD1 3.66Å; R190-D225 IonicContact CZ-OD2 3.68Å; R190-D225 IonicContact NE-OD1 3.5Å; R190-D225 PolarHBondContact NE-OD1 2.86Å; R190-D225 IonicContact NE-OD2 3.99Å; R190-D225 PolarHBondContact NE-OD2 3.43Å; R190-D225 IonicContact NH2-OD1 3.25Å; R190-D225 PolarHBondContact NH2-OD1 3.17Å; R190-D225 IonicContact NH2-OD2 3.46Å; Y222-D225 PolarHBondContact O-N 2.85Å; A223-D225 VanDerWaalsContact C-N 3.25Å; A223-D225 PolarHBondContact O-N 3.49Å; A223-D225 VanDerWaalsContact O-N 3.13Å; D225-Q228 VanDerWaalsContact O-CG 3.23Å; D225-Q228 WeakPolarHBondContact O-CG 3.43Å; D225-Q228 PolarHBondContact O-NE2 3.44Å; D225-Q228 PolarHBondContact OD1-NE2 3.44Å; D225-H229 PolarHBondContact O-CD2 2.78Å; D225-H229 VanDerWaalsContact O-CD2 3.26Å; D225-H229 PolarHBondContact O-NE2 3.39Å
226	L	95.7	Very high	93	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-83.9	-36.6	-179.6	-67.1	177.5	0	0	0	112.7	Y186 L189 R190 L193 L210 W213 L214 Y222 A223 Q228 H229	Y186-L226 HydrophobicContact CD2-CD1 4.18Å; Y186-L226 HydrophobicContact CD2-CD2 4.05Å; Y186-L226 HydrophobicContact CD2-CG 4.22Å; Y186-L226 HydrophobicContact CE2-CD2 3.91Å; Y186-L226 HydrophobicContact CE2-CG 4.12Å; L189-L226 HydrophobicContact CD2-CD1 4.26Å; R190-L226 HydrophobicContact CB-CD2 3.79Å; R190-L226 HydrophobicContact CG-CD2 4.13Å; L193-L226 HydrophobicContact CD1-CD2 4.34Å; L210-L226 HydrophobicContact CD1-CB 3.66Å; L210-L226 HydrophobicContact CD1-CD1 3.66Å; L210-L226 HydrophobicContact CD1-CG 4.26Å; L210-L226 HydrophobicContact CD2-CB 3.95Å; L210-L226 HydrophobicContact CG-CB 4.43Å; W213-L226 HydrophobicContact CE3-CD1 4.02Å; W213-L226 HydrophobicContact CH2-CD1 4.28Å; W213-L226 HydrophobicContact CZ3-CD1 3.64Å; L214-L226 HydrophobicContact CD2-CD1 4.48Å; Y222-L226 WeakPolarHBondContact O-CG 3.42Å; Y222-L226 PolarHBondContact O-N 3.29Å; A223-L226 PolarHBondContact O-N 3.31Å; L226-Q228 VanDerWaalsContact C-N 3.27Å; L226-Q228 PolarHBondContact O-N 3.11Å; L226-H229 WeakPolarHBondContact O-CB 3.44Å; L226-H229 PolarHBondContact O-N 2.99Å; L226-H229 VanDerWaalsContact O-N 3.1Å
227	L	94.7	Very high	93.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.6	-31.7	-175.2	-57.9	169.8	0	0	0	111.7	W207 L210 L214 A223 H229 V230 Y232 L249 A256 L259	W207-L227 HydrophobicContact CE3-CD2 4.12Å; W207-L227 HydrophobicContact CH2-CD1 4.48Å; W207-L227 HydrophobicContact CH2-CD2 3.44Å; W207-L227 VanDerWaalsContact CH2-CD2 3.44Å; W207-L227 HydrophobicContact CH2-CG 4.38Å; W207-L227 HydrophobicContact CZ3-CB 4.2Å; W207-L227 HydrophobicContact CZ3-CD2 3.08Å; W207-L227 HydrophobicContact CZ3-CG 4.06Å; L210-L227 HydrophobicContact CD2-CD2 3.72Å; L210-L227 HydrophobicContact CD2-CG 4.46Å; L210-L227 HydrophobicContact CG-CD2 4.2Å; L214-L227 HydrophobicContact CD1-CD2 3.79Å; A223-L227 HydrophobicContact CB-CD1 3.97Å; A223-L227 HydrophobicContact CB-CG 4.43Å; A223-L227 WeakPolarHBondContact O-CB 3.39Å; A223-L227 WeakPolarHBondContact O-CD1 3.42Å; A223-L227 WeakPolarHBondContact O-CG 3.35Å; A223-L227 PolarHBondContact O-N 2.58Å; L227-H229 PolarHBondContact O-N 3.09Å; L227-H229 VanDerWaalsContact O-N 3.16Å; L227-V230 PolarHBondContact O-N 3.45Å; L227-V230 VanDerWaalsContact O-N 3.14Å; L227-Y232 WeakPolarHBondContact O-CE2 3.42Å; L227-L249 HydrophobicContact CD1-CD2 4.46Å; L227-L249 HydrophobicContact CD2-CD2 4Å; L227-A256 HydrophobicContact CD1-CB 3.98Å; L227-L259 HydrophobicContact CB-CD1 4.34Å
228	Q	94.5	Very high	93.5	Very high	85 Å²	85	53.6 Å²	53.6	40%	0.397	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.9	176.1	76.1	-171	-33.6	0	0	113.8	D225 L226 V230	D225-Q228 VanDerWaalsContact O-CG 3.23Å; D225-Q228 WeakPolarHBondContact O-CG 3.43Å; D225-Q228 PolarHBondContact O-NE2 3.44Å; D225-Q228 PolarHBondContact OD1-NE2 3.44Å; L226-Q228 VanDerWaalsContact C-N 3.27Å; L226-Q228 PolarHBondContact O-N 3.11Å; Q228-V230 VanDerWaalsContact C-N 3.32Å
229	H	95.5	Very high	93.7	Very high	33 Å²	33	45.2 Å²	45.2	15%	0.153	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-5.1	179.3	-62.9	-40.9	0	0	0	113	L193 K194 D225 L226 L227 R284	L193-H229 HydrophobicContact CB-CB 3.83Å; K194-H229 VanDerWaalsContact CE-CE1 3.45Å; K194-H229 WeakPolarHBondContact CE-CE1 3.46Å; K194-H229 VanDerWaalsContact CE-NE2 3.31Å; K194-H229 WeakPolarHBondContact CE-NE2 2.75Å; D225-H229 PolarHBondContact O-CD2 2.78Å; D225-H229 VanDerWaalsContact O-CD2 3.26Å; D225-H229 PolarHBondContact O-NE2 3.39Å; L226-H229 WeakPolarHBondContact O-CB 3.44Å; L226-H229 PolarHBondContact O-N 2.99Å; L226-H229 VanDerWaalsContact O-N 3.1Å; L227-H229 PolarHBondContact O-N 3.09Å; L227-H229 VanDerWaalsContact O-N 3.16Å; H229-R284 PolarHBondContact O-NH2 2.85Å
230	V	95.5	Very high	93.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.215	C	C	.	.	S	Bend	trans	-87	134.1	171.4	-177.3	0	0	0	0	109.8	I206 W207 L210 L227 Q228 Y232 M235	I206-V230 HydrophobicContact CG2-CG2 4.09Å; W207-V230 HydrophobicContact CB-CG1 4.14Å; W207-V230 HydrophobicContact CE3-CB 4.43Å; W207-V230 HydrophobicContact CE3-CG1 4.29Å; W207-V230 HydrophobicContact CE3-CG2 4.14Å; L210-V230 HydrophobicContact CD2-CG2 3.81Å; L227-V230 PolarHBondContact O-N 3.45Å; L227-V230 VanDerWaalsContact O-N 3.14Å; Q228-V230 VanDerWaalsContact C-N 3.32Å; V230-Y232 HydrophobicContact CB-CD2 4.44Å; V230-Y232 HydrophobicContact CB-CE2 3.94Å; V230-Y232 HydrophobicContact CG1-CD2 4.48Å; V230-Y232 HydrophobicContact CG1-CE1 4.4Å; V230-Y232 HydrophobicContact CG1-CE2 4.28Å; V230-Y232 WeakPolarHBondContact O-CD2 3.45Å; V230-Y232 WeakPolarHBondContact O-CE2 3.21Å; V230-Y232 PolarHBondContact O-N 2.75Å; V230-M235 HydrophobicContact CG1-CE 3.53Å
231	R	94.5	Very high	93.9	Very high	11 Å²	11	42.5 Å²	42.5	4%	0.042	21%	0.214	C	C	.	.			trans	-96.7	72.6	-174.1	-52.6	-178.4	-169.9	-168.8	-1.3	110.9	D196 E203 G233 L234 S279 S280 R282 P283 R284	D196-R231 IonicContact OD1-CZ 3.38Å; D196-R231 IonicContact OD1-NH1 3.75Å; D196-R231 PolarHBondContact OD1-NH1 3.43Å; D196-R231 IonicContact OD1-NH2 3.55Å; D196-R231 PolarHBondContact OD1-NH2 3.47Å; E203-R231 VanDerWaalsContact CD-CB 3.48Å; E203-R231 HydrophobicContact CG-CB 3.89Å; E203-R231 PolarHBondContact OE2-N 3.27Å; R231-G233 PolarHBondContact O-N 3.38Å; R231-G233 VanDerWaalsContact O-N 3.08Å; R231-L234 HydrophobicContact CB-CD1 3.74Å; R231-L234 HydrophobicContact CB-CG 3.95Å; R231-L234 HydrophobicContact CG-CD1 4.44Å; R231-L234 WeakPolarHBondContact O-CB 3.38Å; R231-L234 PolarHBondContact O-N 3.21Å; R231-S279 WeakPolarHBondContact CD-O 3.34Å; R231-S279 PolarHBondContact NE-O 2.94Å; R231-S280 CarbonylContact C-O 3.56Å; R231-S280 WeakPolarHBondContact CA-O 3.33Å; R231-S280 VanDerWaalsContact CB-O 3.27Å; R231-S280 WeakPolarHBondContact CB-O 3.49Å; R231-R282 VanDerWaalsContact CD-O 3.26Å; R231-R282 WeakPolarHBondContact CD-O 3.33Å; R231-R282 PolarHBondContact NH1-O 2.69Å; R231-P283 PolarHBondContact NH1-O 2.9Å; R231-R284 VanDerWaalsContact CZ-CG 3.41Å
232	Y	94.5	Very high	94	Very high	6 Å²	6	41 Å²	41	2%	0.024	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-53.3	-31.9	-177	-59.5	-92.2	0	0	0	114.1	W207 L227 V230 L234 M235 L240 L259 V260	W207-Y232 HydrophobicContact CD2-CE1 4.24Å; W207-Y232 AromaticContact CE3-CE1 3.9Å; W207-Y232 HydrophobicContact CE3-CE1 3.9Å; W207-Y232 AromaticContact CE3-CZ 3.92Å; W207-Y232 HydrophobicContact CH2-CE1 4.24Å; W207-Y232 VanDerWaalsContact CH2-OH 3.29Å; W207-Y232 WeakPolarHBondContact CH2-OH 3.37Å; W207-Y232 AromaticContact CZ3-CE1 3.9Å; W207-Y232 HydrophobicContact CZ3-CE1 3.9Å; W207-Y232 AromaticContact CZ3-CZ 3.65Å; W207-Y232 WeakPolarHBondContact CZ3-OH 3.38Å; L227-Y232 WeakPolarHBondContact O-CE2 3.42Å; V230-Y232 HydrophobicContact CB-CD2 4.44Å; V230-Y232 HydrophobicContact CB-CE2 3.94Å; V230-Y232 HydrophobicContact CG1-CD2 4.48Å; V230-Y232 HydrophobicContact CG1-CE1 4.4Å; V230-Y232 HydrophobicContact CG1-CE2 4.28Å; V230-Y232 WeakPolarHBondContact O-CD2 3.45Å; V230-Y232 WeakPolarHBondContact O-CE2 3.21Å; V230-Y232 PolarHBondContact O-N 2.75Å; Y232-L234 PolarHBondContact O-N 2.91Å; Y232-M235 HydrophobicContact CD1-CE 3.82Å; Y232-M235 HydrophobicContact CD1-SD 3.93Å; Y232-M235 HydrophobicContact CE1-CE 4.27Å; Y232-M235 HydrophobicContact CG-CE 4.45Å; Y232-M235 WeakPolarHBondContact O-CB 3.29Å; Y232-M235 PolarHBondContact O-N 3.35Å; Y232-L240 HydrophobicContact CD1-CD2 4.4Å; Y232-L259 HydrophobicContact CD2-CB 3.85Å; Y232-L259 HydrophobicContact CE2-CB 3.64Å; Y232-L259 HydrophobicContact CE2-CD1 3.84Å; Y232-L259 HydrophobicContact CE2-CG 4.23Å; Y232-V260 HydrophobicContact CD1-CG2 3.96Å; Y232-V260 HydrophobicContact CE1-CG2 3.99Å
233	G	92.3	Very high	94	Very high	3 Å²	3	38.2 Å²	38.2	3%	0.031	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-67.2	-2.4	176.6	0	0	0	0	0	115.3	R231 H267 R373	R231-G233 PolarHBondContact O-N 3.38Å; R231-G233 VanDerWaalsContact O-N 3.08Å; G233-H267 PolarHBondContact O-NE2 3.31Å; G233-R373 PolarHBondContact O-NH1 3.3Å
234	L	91.3	Very high	94	Very high	31 Å²	31	39.3 Å²	39.3	16%	0.162	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-103.2	-8.7	171.4	-54.6	-178.1	0	0	0	113.1	E203 R231 Y232 T281 P283 R373	E203-L234 HydrophobicContact CG-CB 3.88Å; E203-L234 HydrophobicContact CG-CD1 3.89Å; E203-L234 HydrophobicContact CG-CG 4.38Å; R231-L234 HydrophobicContact CB-CD1 3.74Å; R231-L234 HydrophobicContact CB-CG 3.95Å; R231-L234 HydrophobicContact CG-CD1 4.44Å; R231-L234 WeakPolarHBondContact O-CB 3.38Å; R231-L234 PolarHBondContact O-N 3.21Å; Y232-L234 PolarHBondContact O-N 2.91Å; L234-T281 WeakPolarHBondContact CD2-O 3.46Å; L234-P283 HydrophobicContact CD2-CG 4.45Å; L234-R373 HydrophobicContact CD2-CG 3.88Å
235	M	92.3	Very high	94	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.039	21%	0.206	C	C	.	.	S	Bend	trans	-73.9	160.6	173	-61.5	177.4	-176.2	0	0	110.3	E203 W207 V230 Y232 L240 L243 H267	E203-M235 HydrophobicContact CB-CE 4.14Å; E203-M235 HydrophobicContact CB-CG 4.05Å; E203-M235 WeakPolarHBondContact O-CE 3.5Å; W207-M235 HydrophobicContact CB-CE 3.64Å; W207-M235 HydrophobicContact CG-CE 4.13Å; V230-M235 HydrophobicContact CG1-CE 3.53Å; Y232-M235 HydrophobicContact CD1-CE 3.82Å; Y232-M235 HydrophobicContact CD1-SD 3.93Å; Y232-M235 HydrophobicContact CE1-CE 4.27Å; Y232-M235 HydrophobicContact CG-CE 4.45Å; Y232-M235 WeakPolarHBondContact O-CB 3.29Å; Y232-M235 PolarHBondContact O-N 3.35Å; M235-L240 HydrophobicContact CB-CD2 3.98Å; M235-L240 HydrophobicContact CB-CG 4.02Å; M235-L240 HydrophobicContact CG-CD2 4.49Å; M235-L240 HydrophobicContact SD-CD2 3.9Å; M235-L243 HydrophobicContact SD-CD1 3.96Å; M235-H267 PolarHBondContact O-NE2 3.47Å
236	D	90.7	Very high	93.7	Very high	74 Å²	74	40.2 Å²	40.2	40%	0.396	22%	0.22	S	C	.	.			trans	-77	146.1	172.4	66.3	-45.6	0	0	0	111.3	P238 T239 L240	D236-P238 VanDerWaalsContact C-CD 3.45Å; D236-T239 VanDerWaalsContact CG-OG1 3.25Å; D236-T239 WeakPolarHBondContact O-CB 3.33Å; D236-T239 PolarHBondContact O-N 3.15Å; D236-T239 VanDerWaalsContact O-N 3.11Å; D236-T239 WeakPolarHBondContact OD1-CB 3.27Å; D236-T239 PolarHBondContact OD1-OG1 2.94Å; D236-T239 PolarHBondContact OD2-OG1 3.09Å; D236-L240 PolarHBondContact O-N 3.49Å
237	V	94.1	Very high	93.5	Very high	51 Å²	51	42.1 Å²	42.1	31%	0.309	23%	0.229	S	C	.	.	H	α-helix	trans	-57	-40.2	-176.9	-178	0	0	0	0	113.2	T239 L240 H241 L264 H267	V237-T239 PolarHBondContact O-N 3.3Å; V237-L240 PolarHBondContact O-N 3.16Å; V237-H241 PolarHBondContact O-CD2 2.91Å; V237-H241 PolarHBondContact O-N 3.46Å; V237-L264 HydrophobicContact CG1-CD2 4.27Å; V237-H267 HydrophobicContact CG2-CB 3.7Å
238	P	95.1	Very high	93.3	Very high	90 Å²	90	46.4 Å²	46.4	58%	0.584	26%	0.257	S	S	*	.	H	α-helix	trans	-58.6	-43.6	174.5	-25.1	35.9	0	0	0	113.2	D236 H241 H242	D236-P238 VanDerWaalsContact C-CD 3.45Å; P238-H241 PolarHBondContact O-N 3.35Å; P238-H242 PolarHBondContact O-N 3.42Å
239	T	93.9	Very high	93	Very high	22 Å²	22	43 Å²	43	14%	0.135	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-43.9	176.2	-62.5	0	0	0	0	111.5	E204 D236 V237 H241 H242 L243	E204-T239 HydrophobicContact CG-CG2 4Å; D236-T239 VanDerWaalsContact CG-OG1 3.25Å; D236-T239 WeakPolarHBondContact O-CB 3.33Å; D236-T239 PolarHBondContact O-N 3.15Å; D236-T239 VanDerWaalsContact O-N 3.11Å; D236-T239 WeakPolarHBondContact OD1-CB 3.27Å; D236-T239 PolarHBondContact OD1-OG1 2.94Å; D236-T239 PolarHBondContact OD2-OG1 3.09Å; V237-T239 PolarHBondContact O-N 3.3Å; T239-H241 VanDerWaalsContact C-N 3.35Å; T239-H241 PolarHBondContact O-N 3.42Å; T239-H242 WeakPolarHBondContact O-CB 3.35Å; T239-H242 PolarHBondContact O-N 3.05Å; T239-H242 VanDerWaalsContact O-N 3.09Å; T239-L243 HydrophobicContact CG2-CD1 4.22Å; T239-L243 HydrophobicContact CG2-CG 4.35Å; T239-L243 WeakPolarHBondContact O-CG 3.43Å; T239-L243 PolarHBondContact O-N 2.99Å
240	L	95.5	Very high	92.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-44.2	176.2	-68.2	172.8	0	0	0	112.2	Y232 M235 D236 V237 H242 L243 A244 V260 A263 L264	Y232-L240 HydrophobicContact CD1-CD2 4.4Å; M235-L240 HydrophobicContact CB-CD2 3.98Å; M235-L240 HydrophobicContact CB-CG 4.02Å; M235-L240 HydrophobicContact CG-CD2 4.49Å; M235-L240 HydrophobicContact SD-CD2 3.9Å; D236-L240 PolarHBondContact O-N 3.49Å; V237-L240 PolarHBondContact O-N 3.16Å; L240-H242 VanDerWaalsContact C-N 3.32Å; L240-H242 PolarHBondContact O-N 3.47Å; L240-L243 PolarHBondContact O-N 3.41Å; L240-A244 WeakPolarHBondContact O-CB 3.45Å; L240-A244 PolarHBondContact O-N 2.98Å; L240-V260 HydrophobicContact CB-CG1 4.45Å; L240-V260 HydrophobicContact CD2-CG1 4.35Å; L240-A263 HydrophobicContact CD1-CB 3.86Å; L240-A263 HydrophobicContact CD2-CB 4.1Å; L240-L264 HydrophobicContact CB-CD2 3.69Å; L240-L264 HydrophobicContact CB-CG 4.18Å; L240-L264 HydrophobicContact CD1-CD2 4.29Å
241	H	95.7	Very high	92.6	Very high	81 Å²	81	47.8 Å²	47.8	38%	0.375	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-36.8	174	-77.8	-49.4	0	0	0	112.7	V237 P238 T239 N245	V237-H241 PolarHBondContact O-CD2 2.91Å; V237-H241 PolarHBondContact O-N 3.46Å; P238-H241 PolarHBondContact O-N 3.35Å; T239-H241 VanDerWaalsContact C-N 3.35Å; T239-H241 PolarHBondContact O-N 3.42Å; H241-N245 WeakPolarHBondContact O-CB 3.32Å; H241-N245 PolarHBondContact O-N 2.94Å; H241-N245 VanDerWaalsContact O-N 3.14Å; H241-N245 PolarHBondContact O-ND2 3.11Å
242	H	94.6	Very high	92.3	Very high	125 Å²	125	51.6 Å²	51.6	58%	0.579	29%	0.292	S	S	*	.	H	α-helix	trans	-65.9	-43.6	176	-173.6	-162.5	0	0	0	111.4	P238 T239 L240 N245 S246	P238-H242 PolarHBondContact O-N 3.42Å; T239-H242 WeakPolarHBondContact O-CB 3.35Å; T239-H242 PolarHBondContact O-N 3.05Å; T239-H242 VanDerWaalsContact O-N 3.09Å; L240-H242 VanDerWaalsContact C-N 3.32Å; L240-H242 PolarHBondContact O-N 3.47Å; H242-N245 PolarHBondContact O-N 3.33Å; H242-S246 PolarHBondContact CD2-OG 3.09Å; H242-S246 WeakPolarHBondContact O-CB 3.41Å; H242-S246 PolarHBondContact O-N 3.18Å
243	L	93.6	Very high	92.2	Very high	15 Å²	15	52.1 Å²	52.1	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-47.2	176.7	-68.9	178.5	0	0	0	111.8	M235 T239 L240 N245 H247	M235-L243 HydrophobicContact SD-CD1 3.96Å; T239-L243 HydrophobicContact CG2-CD1 4.22Å; T239-L243 HydrophobicContact CG2-CG 4.35Å; T239-L243 WeakPolarHBondContact O-CG 3.43Å; T239-L243 PolarHBondContact O-N 2.99Å; L240-L243 PolarHBondContact O-N 3.41Å; L243-N245 VanDerWaalsContact C-N 3.33Å; L243-N245 PolarHBondContact O-N 3.47Å; L243-H247 HydrophobicContact CD2-CB 4.24Å; L243-H247 WeakPolarHBondContact O-CB 3.32Å; L243-H247 PolarHBondContact O-N 2.82Å
244	A	93.1	Very high	92.1	Very high	29 Å²	29	56.9 Å²	56.9	24%	0.24	33%	0.327	C	S	.	.	H	α-helix	trans	-59.7	-41.2	179.1	0	0	0	0	0	112.7	L240 V260	L240-A244 WeakPolarHBondContact O-CB 3.45Å; L240-A244 PolarHBondContact O-N 2.98Å; A244-V260 HydrophobicContact CB-CG1 3.89Å
245	N	91.8	Very high	92.2	Very high	112 Å²	112	57.7 Å²	57.7	60%	0.599	33%	0.333	S	S	*	.	H	α-helix	trans	-90.4	-30.5	-172.1	-69	-51.9	0	0	0	114.3	H241 H242 L243 Q251	H241-N245 WeakPolarHBondContact O-CB 3.32Å; H241-N245 PolarHBondContact O-N 2.94Å; H241-N245 VanDerWaalsContact O-N 3.14Å; H241-N245 PolarHBondContact O-ND2 3.11Å; H242-N245 PolarHBondContact O-N 3.33Å; L243-N245 VanDerWaalsContact C-N 3.33Å; L243-N245 PolarHBondContact O-N 3.47Å; N245-Q251 PolarHBondContact O-NE2 2.97Å
246	S	89.1	Confident	92.2	Very high	67 Å²	67	57.3 Å²	57.3	47%	0.469	33%	0.331	S	S	.	.	H	α-helix	trans	-119.7	-20.9	-165.4	-56.7	0	0	0	0	115	H242 P248	H242-S246 PolarHBondContact CD2-OG 3.09Å; H242-S246 WeakPolarHBondContact O-CB 3.41Å; H242-S246 PolarHBondContact O-N 3.18Å; S246-P248 WeakPolarHBondContact O-CD 3.06Å
247	H	90.8	Very high	92.4	Very high	41 Å²	41	55.3 Å²	55.3	19%	0.19	33%	0.325	C	S	.	.			trans	-86.4	121.5	-169.5	-160.6	-73.2	0	0	0	112.8	L243 L249 V250 Q251	L243-H247 HydrophobicContact CD2-CB 4.24Å; L243-H247 WeakPolarHBondContact O-CB 3.32Å; L243-H247 PolarHBondContact O-N 2.82Å; H247-L249 VanDerWaalsContact C-N 3.34Å; H247-L249 WeakPolarHBondContact ND1-CB 3.12Å; H247-L249 PolarHBondContact ND1-N 3.23Å; H247-L249 PolarHBondContact O-N 3.29Å; H247-V250 HydrophobicContact CB-CB 4.34Å; H247-V250 HydrophobicContact CB-CG2 4.02Å; H247-V250 PolarHBondContact O-N 3.35Å; H247-Q251 PolarHBondContact O-N 3.49Å; H247-Q251 VanDerWaalsContact O-N 3.09Å
248	P	90.2	Very high	92.4	Very high	90 Å²	90	55.6 Å²	55.6	58%	0.584	33%	0.333	S	S	*	.	H	α-helix	trans	-58.8	-38.6	-174.9	-26.3	34.6	0	0	0	114.6	S246 V250 Q251 S252	S246-P248 WeakPolarHBondContact O-CD 3.06Å; P248-V250 VanDerWaalsContact C-N 3.31Å; P248-V250 PolarHBondContact O-N 2.95Å; P248-Q251 PolarHBondContact O-N 3.17Å; P248-S252 WeakPolarHBondContact O-CB 3.37Å; P248-S252 PolarHBondContact O-N 2.91Å; P248-S252 PolarHBondContact O-OG 3.13Å
249	L	89.8	Confident	92.5	Very high	13 Å²	13	52.6 Å²	52.6	7%	0.068	31%	0.312	C	S	.	.	H	α-helix	trans	-60.5	-40.4	175.9	-174.5	70.3	0	0	0	112.1	W207 V211 L214 Y220 L227 H247 S252 C253	W207-L249 HydrophobicContact CH2-CD2 3.92Å; W207-L249 HydrophobicContact CZ2-CD2 4.13Å; V211-L249 HydrophobicContact CG2-CD2 3.93Å; L214-L249 HydrophobicContact CD1-CD2 4.28Å; Y220-L249 HydrophobicContact CD1-CD1 3.95Å; Y220-L249 HydrophobicContact CE1-CD1 3.88Å; L227-L249 HydrophobicContact CD1-CD2 4.46Å; L227-L249 HydrophobicContact CD2-CD2 4Å; H247-L249 VanDerWaalsContact C-N 3.34Å; H247-L249 WeakPolarHBondContact ND1-CB 3.12Å; H247-L249 PolarHBondContact ND1-N 3.23Å; H247-L249 PolarHBondContact O-N 3.29Å; L249-S252 PolarHBondContact O-N 2.83Å; L249-S252 PolarHBondContact O-OG 3.06Å; L249-C253 WeakPolarHBondContact O-CB 3.1Å; L249-C253 PolarHBondContact O-N 2.83Å
250	V	91.2	Very high	92.6	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.03	31%	0.305	C	S	.	.	H	α-helix	trans	-73.1	-38.6	-178.3	-179	0	0	0	0	110.1	W207 H247 P248 S252 A256 A257 V260	W207-V250 HydrophobicContact CZ2-CG2 3.98Å; H247-V250 HydrophobicContact CB-CB 4.34Å; H247-V250 HydrophobicContact CB-CG2 4.02Å; H247-V250 PolarHBondContact O-N 3.35Å; P248-V250 VanDerWaalsContact C-N 3.31Å; P248-V250 PolarHBondContact O-N 2.95Å; V250-S252 VanDerWaalsContact C-N 3.3Å; V250-S252 PolarHBondContact O-N 3.01Å; V250-A256 HydrophobicContact CG2-CB 4.41Å; V250-A257 HydrophobicContact CG1-CB 4.33Å; V250-V260 HydrophobicContact CG1-CG2 4.31Å
251	Q	90.1	Very high	92.6	Very high	130 Å²	130	55.8 Å²	55.8	61%	0.607	33%	0.328	S	S	*	.	H	α-helix	trans	-68	-28.1	176.1	-67	178.6	-14	0	0	113.5	N245 H247 P248	N245-Q251 PolarHBondContact O-NE2 2.97Å; H247-Q251 PolarHBondContact O-N 3.49Å; H247-Q251 VanDerWaalsContact O-N 3.09Å; P248-Q251 PolarHBondContact O-N 3.17Å
252	S	89.3	Confident	92.6	Very high	90 Å²	90	56.4 Å²	56.4	63%	0.629	33%	0.331	S	S	*	.	H	α-helix	trans	-95.6	-25.4	-178	55.2	0	0	0	0	114	P248 L249 V250	P248-S252 WeakPolarHBondContact O-CB 3.37Å; P248-S252 PolarHBondContact O-N 2.91Å; P248-S252 PolarHBondContact O-OG 3.13Å; L249-S252 PolarHBondContact O-N 2.83Å; L249-S252 PolarHBondContact O-OG 3.06Å; V250-S252 VanDerWaalsContact C-N 3.3Å; V250-S252 PolarHBondContact O-N 3.01Å
253	C	90.9	Very high	92.6	Very high	17 Å²	17	50.7 Å²	50.7	12%	0.115	31%	0.305	C	S	.	.			trans	-104.6	112	-177.3	-177.4	0	0	0	0	111.6	L249 T255 A256 A257	L249-C253 WeakPolarHBondContact O-CB 3.1Å; L249-C253 PolarHBondContact O-N 2.83Å; C253-T255 VanDerWaalsContact C-N 3.27Å; C253-T255 PolarHBondContact O-N 3.39Å; C253-A256 HydrophobicContact CB-CB 3.86Å; C253-A256 PolarHBondContact O-N 2.62Å; C253-A257 PolarHBondContact O-N 3.46Å; C253-A257 VanDerWaalsContact O-N 3.12Å
254	P	91.6	Very high	92.8	Very high	104 Å²	104	50.7 Å²	50.7	68%	0.675	31%	0.305	S	S	*	.	H	α-helix	trans	-58.7	-36.5	179.3	-25.2	34.7	0	0	0	113.5	A257 A258	P254-A257 PolarHBondContact O-N 2.81Å; P254-A258 WeakPolarHBondContact O-CB 3.42Å; P254-A258 PolarHBondContact O-N 2.9Å
255	T	92.4	Very high	92.9	Very high	48 Å²	48	54 Å²	54	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-64.1	-44.4	178.2	-52.4	0	0	0	0	111.3	C253 A258 L259	C253-T255 VanDerWaalsContact C-N 3.27Å; C253-T255 PolarHBondContact O-N 3.39Å; T255-A258 PolarHBondContact O-N 2.74Å; T255-L259 HydrophobicContact CG2-CD1 4.21Å; T255-L259 VanDerWaalsContact O-CG 3.27Å; T255-L259 WeakPolarHBondContact O-CG 3.26Å; T255-L259 PolarHBondContact O-N 2.71Å; T255-L259 VanDerWaalsContact O-N 3.1Å
256	A	92.4	Very high	93.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-43.6	177.1	0	0	0	0	0	111.8	L227 V250 C253 L259 V260	L227-A256 HydrophobicContact CD1-CB 3.98Å; V250-A256 HydrophobicContact CG2-CB 4.41Å; C253-A256 HydrophobicContact CB-CB 3.86Å; C253-A256 PolarHBondContact O-N 2.62Å; A256-L259 PolarHBondContact O-N 3.36Å; A256-V260 WeakPolarHBondContact O-CG2 3.4Å; A256-V260 PolarHBondContact O-N 3.17Å; A256-V260 VanDerWaalsContact O-N 3.15Å
257	A	94.6	Very high	93.3	Very high	31 Å²	31	47 Å²	47	26%	0.256	28%	0.275	S	S	.	.	H	α-helix	trans	-60	-47.6	176.3	0	0	0	0	0	111.7	V250 C253 P254 L259 V260 D261	V250-A257 HydrophobicContact CG1-CB 4.33Å; C253-A257 PolarHBondContact O-N 3.46Å; C253-A257 VanDerWaalsContact O-N 3.12Å; P254-A257 PolarHBondContact O-N 2.81Å; A257-L259 VanDerWaalsContact C-N 3.32Å; A257-L259 PolarHBondContact O-N 3.3Å; A257-V260 PolarHBondContact O-N 3.26Å; A257-D261 PolarHBondContact O-N 3.09Å
258	A	95.4	Very high	93.5	Very high	58 Å²	58	51.6 Å²	51.6	48%	0.479	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-39.9	178.8	0	0	0	0	0	112.9	P254 T255 D261 E262	P254-A258 WeakPolarHBondContact O-CB 3.42Å; P254-A258 PolarHBondContact O-N 2.9Å; T255-A258 PolarHBondContact O-N 2.74Å; A258-D261 PolarHBondContact O-N 3.21Å; A258-E262 WeakPolarHBondContact O-CB 3.42Å; A258-E262 PolarHBondContact O-N 3.1Å
259	L	95.7	Very high	93.7	Very high	27 Å²	27	48.8 Å²	48.8	14%	0.141	28%	0.281	C	S	.	.	H	α-helix	trans	-66.2	-38.7	177.8	-70.2	165.7	0	0	0	112.4	L227 Y232 T255 A256 A257 A263	L227-L259 HydrophobicContact CB-CD1 4.34Å; Y232-L259 HydrophobicContact CD2-CB 3.85Å; Y232-L259 HydrophobicContact CE2-CB 3.64Å; Y232-L259 HydrophobicContact CE2-CD1 3.84Å; Y232-L259 HydrophobicContact CE2-CG 4.23Å; T255-L259 HydrophobicContact CG2-CD1 4.21Å; T255-L259 VanDerWaalsContact O-CG 3.27Å; T255-L259 WeakPolarHBondContact O-CG 3.26Å; T255-L259 PolarHBondContact O-N 2.71Å; T255-L259 VanDerWaalsContact O-N 3.1Å; A256-L259 PolarHBondContact O-N 3.36Å; A257-L259 VanDerWaalsContact C-N 3.32Å; A257-L259 PolarHBondContact O-N 3.3Å; L259-A263 PolarHBondContact O-N 3.1Å; L259-A263 VanDerWaalsContact O-N 3.16Å
260	V	96.2	Very high	93.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-70.1	-42.9	176.1	175.6	0	0	0	0	111	Y232 L240 A244 V250 A256 A257 A263 L264	Y232-V260 HydrophobicContact CD1-CG2 3.96Å; Y232-V260 HydrophobicContact CE1-CG2 3.99Å; L240-V260 HydrophobicContact CB-CG1 4.45Å; L240-V260 HydrophobicContact CD2-CG1 4.35Å; A244-V260 HydrophobicContact CB-CG1 3.89Å; V250-V260 HydrophobicContact CG1-CG2 4.31Å; A256-V260 WeakPolarHBondContact O-CG2 3.4Å; A256-V260 PolarHBondContact O-N 3.17Å; A256-V260 VanDerWaalsContact O-N 3.15Å; A257-V260 PolarHBondContact O-N 3.26Å; V260-A263 WeakPolarHBondContact O-CB 3.33Å; V260-A263 PolarHBondContact O-N 3.42Å; V260-L264 HydrophobicContact CG1-CD1 4.32Å; V260-L264 WeakPolarHBondContact O-CG 3.41Å; V260-L264 PolarHBondContact O-N 2.91Å
261	D	95.3	Very high	94.1	Very high	88 Å²	88	53.8 Å²	53.8	47%	0.471	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-42.5	176.7	-73.5	-21.2	0	0	0	111.5	A257 A258 A263 L264 D265	A257-D261 PolarHBondContact O-N 3.09Å; A258-D261 PolarHBondContact O-N 3.21Å; D261-A263 VanDerWaalsContact C-N 3.29Å; D261-A263 PolarHBondContact O-N 3.12Å; D261-L264 PolarHBondContact O-N 2.82Å; D261-D265 WeakPolarHBondContact O-CB 3.46Å; D261-D265 PolarHBondContact O-N 2.81Å
262	E	95.9	Very high	94.3	Very high	95 Å²	95	48.4 Å²	48.4	44%	0.444	28%	0.283	S	S	.	.	H	α-helix	trans	-58.6	-42.2	174.3	-175.5	-176.6	173.5	0	0	111.6	A258 D265 Y266	A258-E262 WeakPolarHBondContact O-CB 3.42Å; A258-E262 PolarHBondContact O-N 3.1Å; E262-D265 PolarHBondContact O-N 2.89Å; E262-Y266 WeakPolarHBondContact O-CB 3.36Å; E262-Y266 PolarHBondContact O-N 3.23Å
263	A	95.9	Very high	94.6	Very high	5 Å²	5	44.4 Å²	44.4	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-65.1	-43.7	176.8	0	0	0	0	0	112	L240 L259 V260 D261 Y266 H267	L240-A263 HydrophobicContact CD1-CB 3.86Å; L240-A263 HydrophobicContact CD2-CB 4.1Å; L259-A263 PolarHBondContact O-N 3.1Å; L259-A263 VanDerWaalsContact O-N 3.16Å; V260-A263 WeakPolarHBondContact O-CB 3.33Å; V260-A263 PolarHBondContact O-N 3.42Å; D261-A263 VanDerWaalsContact C-N 3.29Å; D261-A263 PolarHBondContact O-N 3.12Å; A263-Y266 WeakPolarHBondContact O-CB 2.96Å; A263-Y266 PolarHBondContact O-N 3.26Å; A263-Y266 VanDerWaalsContact O-N 3.17Å; A263-H267 PolarHBondContact O-CD2 3.27Å; A263-H267 PolarHBondContact O-N 3.49Å
264	L	96.4	Very high	94.8	Very high	15 Å²	15	43.9 Å²	43.9	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-47.2	174.8	-72.5	172.5	0	0	0	111.1	V237 L240 V260 D261 Y266 H267 H268	V237-L264 HydrophobicContact CG1-CD2 4.27Å; L240-L264 HydrophobicContact CB-CD2 3.69Å; L240-L264 HydrophobicContact CB-CG 4.18Å; L240-L264 HydrophobicContact CD1-CD2 4.29Å; V260-L264 HydrophobicContact CG1-CD1 4.32Å; V260-L264 WeakPolarHBondContact O-CG 3.41Å; V260-L264 PolarHBondContact O-N 2.91Å; D261-L264 PolarHBondContact O-N 2.82Å; L264-Y266 VanDerWaalsContact C-N 3.26Å; L264-Y266 PolarHBondContact O-N 3.2Å; L264-H267 PolarHBondContact O-N 3.37Å; L264-H268 PolarHBondContact O-CD2 2.82Å; L264-H268 PolarHBondContact O-N 3.2Å
265	D	95.9	Very high	95	Very high	97 Å²	97	41 Å²	41	52%	0.519	23%	0.23	S	C	.	.	H	α-helix	trans	-58.9	-37.9	174.8	-85.8	-10.3	0	0	0	112.3	D261 E262 A269 R276	D261-D265 WeakPolarHBondContact O-CB 3.46Å; D261-D265 PolarHBondContact O-N 2.81Å; E262-D265 PolarHBondContact O-N 2.89Å; D265-A269 WeakPolarHBondContact O-CB 3.4Å; D265-A269 PolarHBondContact O-N 3.04Å; D265-A269 VanDerWaalsContact O-N 3.1Å; D265-R276 VanDerWaalsContact C-NH1 3.33Å; D265-R276 PolarHBondContact O-NH1 3.5Å
266	Y	95.3	Very high	95.1	Very high	4 Å²	4	43 Å²	43	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-37.9	175	172.6	-87.3	0	0	0	112.3	E262 A263 L264 Q273 R276 Q277 T281 R373	E262-Y266 WeakPolarHBondContact O-CB 3.36Å; E262-Y266 PolarHBondContact O-N 3.23Å; A263-Y266 WeakPolarHBondContact O-CB 2.96Å; A263-Y266 PolarHBondContact O-N 3.26Å; A263-Y266 VanDerWaalsContact O-N 3.17Å; L264-Y266 VanDerWaalsContact C-N 3.26Å; L264-Y266 PolarHBondContact O-N 3.2Å; Y266-Q273 HydrophobicContact CD1-CG 4.27Å; Y266-Q273 HydrophobicContact CD2-CG 4.21Å; Y266-Q273 HydrophobicContact CE1-CB 4.4Å; Y266-Q273 HydrophobicContact CE1-CG 3.78Å; Y266-Q273 HydrophobicContact CE2-CB 3.8Å; Y266-Q273 HydrophobicContact CE2-CG 3.76Å; Y266-Q273 HydrophobicContact CG-CG 4.45Å; Y266-Q273 WeakPolarHBondContact O-CG 3.29Å; Y266-Q273 PolarHBondContact O-NE2 3.3Å; Y266-Q273 VanDerWaalsContact O-NE2 3.1Å; Y266-R276 HydrophobicContact CD2-CB 3.9Å; Y266-R276 HydrophobicContact CE2-CB 4.06Å; Y266-Q277 PolarHBondContact OH-NE2 2.87Å; Y266-T281 HydrophobicContact CD2-CG2 3.87Å; Y266-T281 HydrophobicContact CE2-CG2 3.79Å; Y266-T281 HydrophobicContact CG-CG2 4.24Å; Y266-R373 PolarHBondContact OH-NH1 3.18Å
267	H	94	Very high	95	Very high	29 Å²	29	45.3 Å²	45.3	13%	0.134	24%	0.243	C	C	.	.	H	α-helix	trans	-71.8	-37.7	174.7	-75.6	-73.4	0	0	0	113	G233 M235 V237 A263 L264 A269 T270	G233-H267 PolarHBondContact O-NE2 3.31Å; M235-H267 PolarHBondContact O-NE2 3.47Å; V237-H267 HydrophobicContact CG2-CB 3.7Å; A263-H267 PolarHBondContact O-CD2 3.27Å; A263-H267 PolarHBondContact O-N 3.49Å; L264-H267 PolarHBondContact O-N 3.37Å; H267-A269 VanDerWaalsContact C-N 3.28Å; H267-A269 PolarHBondContact O-N 2.82Å; H267-T270 PolarHBondContact O-OG1 2.88Å; H267-T270 VanDerWaalsContact O-OG1 3.06Å
268	H	94.4	Very high	94.8	Very high	138 Å²	138	46.1 Å²	46.1	64%	0.639	25%	0.246	S	C	*	.	H	α-helix	trans	-60.9	-37.1	173.2	-77.3	-60.4	0	0	0	112.3	L264 T270	L264-H268 PolarHBondContact O-CD2 2.82Å; L264-H268 PolarHBondContact O-N 3.2Å; H268-T270 PolarHBondContact O-N 3.09Å
269	A	94.4	Very high	94.4	Very high	31 Å²	31	47.8 Å²	47.8	26%	0.256	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	47	179.8	0	0	0	0	0	113.3	D265 H267 F271 A272 Q273	D265-A269 WeakPolarHBondContact O-CB 3.4Å; D265-A269 PolarHBondContact O-N 3.04Å; D265-A269 VanDerWaalsContact O-N 3.1Å; H267-A269 VanDerWaalsContact C-N 3.28Å; H267-A269 PolarHBondContact O-N 2.82Å; A269-F271 PolarHBondContact O-N 3.35Å; A269-F271 VanDerWaalsContact O-N 3.11Å; A269-A272 HydrophobicContact CB-CB 4.21Å; A269-A272 WeakPolarHBondContact O-CA 3.33Å; A269-A272 PolarHBondContact O-N 3.04Å; A269-Q273 PolarHBondContact O-N 2.84Å; A269-Q273 VanDerWaalsContact O-N 3.11Å
270	T	93.5	Very high	94	Very high	50 Å²	50	47.9 Å²	47.9	31%	0.307	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-47.5	-48.1	-167.3	-48.7	0	0	0	0	114.4	H267 H268 Q273 R369 I378	H267-T270 PolarHBondContact O-OG1 2.88Å; H267-T270 VanDerWaalsContact O-OG1 3.06Å; H268-T270 PolarHBondContact O-N 3.09Å; T270-Q273 WeakPolarHBondContact O-CG 3.47Å; T270-Q273 PolarHBondContact O-OE1 3.02Å; T270-R369 PolarHBondContact O-NH1 2.87Å; T270-R369 PolarHBondContact O-NH2 3.05Å; T270-I378 HydrophobicContact CG2-CD1 3.8Å
271	F	95.6	Very high	93.7	Very high	72 Å²	72	48.2 Å²	48.2	32%	0.316	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-75.2	-23.8	-179	-55.6	-66.4	0	0	0	113.6	A269 P274 I378 I380 P420 N423	A269-F271 PolarHBondContact O-N 3.35Å; A269-F271 VanDerWaalsContact O-N 3.11Å; F271-P274 VanDerWaalsContact O-CD 3.27Å; F271-P274 WeakPolarHBondContact O-CD 3.46Å; F271-I378 HydrophobicContact CE1-CG2 4.02Å; F271-I380 HydrophobicContact CD1-CG2 4.14Å; F271-I380 HydrophobicContact CE1-CG2 4.31Å; F271-P420 CarbonylContact C-O 3.45Å; F271-P420 VanDerWaalsContact CB-O 3.31Å; F271-P420 WeakPolarHBondContact CB-O 3.31Å; F271-P420 VanDerWaalsContact O-CB 3.24Å; F271-P420 WeakPolarHBondContact O-CB 3.45Å; F271-N423 HydrophobicContact CB-CB 4.21Å; F271-N423 HydrophobicContact CD1-CB 4.37Å; F271-N423 HydrophobicContact CD2-CB 3.93Å; F271-N423 HydrophobicContact CE2-CB 4.42Å; F271-N423 HydrophobicContact CG-CB 3.91Å; F271-N423 WeakPolarHBondContact CZ-ND2 3.3Å
272	A	95.9	Very high	93.4	Very high	17 Å²	17	47.7 Å²	47.7	14%	0.14	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-90.2	-8.8	-179.3	0	0	0	0	0	113.7	A269 P274 L275 R276 K421	A269-A272 HydrophobicContact CB-CB 4.21Å; A269-A272 WeakPolarHBondContact O-CA 3.33Å; A269-A272 PolarHBondContact O-N 3.04Å; A272-P274 VanDerWaalsContact C-N 3.3Å; A272-L275 WeakPolarHBondContact O-CA 3.44Å; A272-L275 WeakPolarHBondContact O-CB 3.08Å; A272-L275 PolarHBondContact O-N 3.41Å; A272-R276 PolarHBondContact O-N 2.94Å; A272-K421 HydrophobicContact CB-CG 4.43Å
273	Q	95.6	Very high	93	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.028	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-45.3	-40.1	174.4	-70.2	176.6	-26.1	0	0	115.9	Y266 A269 T270 L275 R276 Q277 F346	Y266-Q273 HydrophobicContact CD1-CG 4.27Å; Y266-Q273 HydrophobicContact CD2-CG 4.21Å; Y266-Q273 HydrophobicContact CE1-CB 4.4Å; Y266-Q273 HydrophobicContact CE1-CG 3.78Å; Y266-Q273 HydrophobicContact CE2-CB 3.8Å; Y266-Q273 HydrophobicContact CE2-CG 3.76Å; Y266-Q273 HydrophobicContact CG-CG 4.45Å; Y266-Q273 WeakPolarHBondContact O-CG 3.29Å; Y266-Q273 PolarHBondContact O-NE2 3.3Å; Y266-Q273 VanDerWaalsContact O-NE2 3.1Å; A269-Q273 PolarHBondContact O-N 2.84Å; A269-Q273 VanDerWaalsContact O-N 3.11Å; T270-Q273 WeakPolarHBondContact O-CG 3.47Å; T270-Q273 PolarHBondContact O-OE1 3.02Å; Q273-L275 PolarHBondContact O-N 2.76Å; Q273-L275 VanDerWaalsContact O-N 3.14Å; Q273-R276 PolarHBondContact O-N 2.99Å; Q273-Q277 PolarHBondContact O-NE2 3.05Å; Q273-F346 HydrophobicContact CB-CE2 3.95Å; Q273-F346 HydrophobicContact CB-CZ 3.8Å
274	P	95.1	Very high	92.7	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.039	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-61.4	-22.9	177.4	-22.4	34.5	0	0	0	113.4	F271 A272 M343 G344 F346 F348	F271-P274 VanDerWaalsContact O-CD 3.27Å; F271-P274 WeakPolarHBondContact O-CD 3.46Å; A272-P274 VanDerWaalsContact C-N 3.3Å; P274-M343 HydrophobicContact CB-CB 4.44Å; P274-M343 HydrophobicContact CB-CG 3.89Å; P274-M343 HydrophobicContact CB-SD 4.05Å; P274-G344 WeakPolarHBondContact O-CA 3.28Å; P274-F346 HydrophobicContact CB-CD2 3.86Å; P274-F346 HydrophobicContact CB-CE2 4.41Å; P274-F346 HydrophobicContact CG-CD2 3.67Å; P274-F346 HydrophobicContact CG-CE2 4.15Å; P274-F346 HydrophobicContact CG-CG 4.2Å; P274-F348 HydrophobicContact CB-CE2 4.45Å; P274-F348 HydrophobicContact CB-CZ 4.37Å; P274-F348 HydrophobicContact CG-CE2 4.23Å; P274-F348 HydrophobicContact CG-CZ 3.79Å
275	L	95.5	Very high	92.2	Very high	43 Å²	43	43.7 Å²	43.7	23%	0.225	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-96.3	-5	-179.3	-52.5	179.1	0	0	0	112.7	A272 Q273 M343 Q397 P420 K421	A272-L275 WeakPolarHBondContact O-CA 3.44Å; A272-L275 WeakPolarHBondContact O-CB 3.08Å; A272-L275 PolarHBondContact O-N 3.41Å; Q273-L275 PolarHBondContact O-N 2.76Å; Q273-L275 VanDerWaalsContact O-N 3.14Å; L275-M343 HydrophobicContact CD2-SD 3.72Å; L275-Q397 HydrophobicContact CD1-CB 4.28Å; L275-Q397 HydrophobicContact CD2-CB 3.75Å; L275-Q397 HydrophobicContact CD2-CG 4.08Å; L275-P420 HydrophobicContact CD1-CB 3.93Å; L275-P420 HydrophobicContact CD1-CG 4.12Å; L275-P420 HydrophobicContact CD2-CG 4.28Å; L275-P420 HydrophobicContact CG-CB 4.16Å; L275-P420 HydrophobicContact CG-CG 4.25Å; L275-K421 HydrophobicContact CD1-CD 4.16Å; L275-K421 HydrophobicContact CD1-CG 3.44Å; L275-K421 VanDerWaalsContact CD1-CG 3.44Å
276	R	93.4	Very high	91.5	Very high	90 Å²	90	42.8 Å²	42.8	34%	0.34	22%	0.224	S	C	.	.	S	Bend	trans	-114.7	22.2	-178.3	-64.3	-178.3	67.3	-178.8	-1.2	111.3	D265 Y266 A272 Q273 S278	D265-R276 VanDerWaalsContact C-NH1 3.33Å; D265-R276 PolarHBondContact O-NH1 3.5Å; Y266-R276 HydrophobicContact CD2-CB 3.9Å; Y266-R276 HydrophobicContact CE2-CB 4.06Å; A272-R276 PolarHBondContact O-N 2.94Å; Q273-R276 PolarHBondContact O-N 2.99Å; R276-S278 PolarHBondContact O-N 2.79Å
277	Q	90.1	Very high	91	Very high	50 Å²	50	43.8 Å²	43.8	23%	0.234	23%	0.231	C	C	.	.			trans	-67.9	130.1	176.6	-75.7	-49.1	-61.3	0	0	111.1	Y266 Q273 T281 G344	Y266-Q277 PolarHBondContact OH-NE2 2.87Å; Q273-Q277 PolarHBondContact O-NE2 3.05Å; Q277-T281 WeakPolarHBondContact CA-OG1 3.39Å; Q277-T281 PolarHBondContact NE2-OG1 3.42Å; Q277-T281 PolarHBondContact OE1-O 2.96Å; Q277-T281 PolarHBondContact OE1-OG1 3.38Å; Q277-G344 VanDerWaalsContact CG-C 3.48Å; Q277-G344 VanDerWaalsContact CG-CA 3.44Å; Q277-G344 WeakPolarHBondContact CG-O 3.49Å
278	S	90.6	Very high	90.8	Very high	47 Å²	47	44.6 Å²	44.6	33%	0.329	24%	0.236	S	C	.	.			trans	-138.4	177.4	170.7	71.7	0	0	0	0	109.5	R276 S280 T281 R282	R276-S278 PolarHBondContact O-N 2.79Å; S278-S280 PolarHBondContact O-N 3.17Å; S278-S280 VanDerWaalsContact O-N 3.09Å; S278-S280 PolarHBondContact OG-N 2.87Å; S278-T281 PolarHBondContact N-OG1 2.9Å; S278-T281 PolarHBondContact O-N 2.69Å; S278-T281 VanDerWaalsContact O-N 3.11Å; S278-T281 PolarHBondContact O-OG1 2.81Å; S278-R282 WeakPolarHBondContact O-CB 3.43Å; S278-R282 PolarHBondContact O-N 2.92Å
279	S	86.7	Confident	90.6	Very high	93 Å²	93	38 Å²	38	65%	0.65	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-26.4	170	49.6	0	0	0	0	112.9	R231	R231-S279 WeakPolarHBondContact CD-O 3.34Å; R231-S279 PolarHBondContact NE-O 2.94Å
280	S	87.3	Confident	90.6	Very high	30 Å²	30	36.6 Å²	36.6	21%	0.21	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-7.8	-177.6	-49	0	0	0	0	114.3	R231 S278	R231-S280 CarbonylContact C-O 3.56Å; R231-S280 WeakPolarHBondContact CA-O 3.33Å; R231-S280 VanDerWaalsContact CB-O 3.27Å; R231-S280 WeakPolarHBondContact CB-O 3.49Å; S278-S280 PolarHBondContact O-N 3.17Å; S278-S280 VanDerWaalsContact O-N 3.09Å; S278-S280 PolarHBondContact OG-N 2.87Å
281	T	90.4	Very high	90.7	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.043	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-10.7	-179.8	65.4	0	0	0	0	113.3	L234 Y266 Q277 S278	L234-T281 WeakPolarHBondContact CD2-O 3.46Å; Y266-T281 HydrophobicContact CD2-CG2 3.87Å; Y266-T281 HydrophobicContact CE2-CG2 3.79Å; Y266-T281 HydrophobicContact CG-CG2 4.24Å; Q277-T281 WeakPolarHBondContact CA-OG1 3.39Å; Q277-T281 PolarHBondContact NE2-OG1 3.42Å; Q277-T281 PolarHBondContact OE1-O 2.96Å; Q277-T281 PolarHBondContact OE1-OG1 3.38Å; S278-T281 PolarHBondContact N-OG1 2.9Å; S278-T281 PolarHBondContact O-N 2.69Å; S278-T281 VanDerWaalsContact O-N 3.11Å; S278-T281 PolarHBondContact O-OG1 2.81Å
282	R	89.4	Confident	90.7	Very high	77 Å²	77	30.9 Å²	30.9	29%	0.291	17%	0.165	S	C	.	.	S	Bend	trans	-75.5	128.8	176.8	-174.7	172.4	-159.6	-149.9	6	109.9	D196 R231 S278 F285 D345	D196-R282 IonicContact OD2-NH1 2.62Å; R231-R282 VanDerWaalsContact CD-O 3.26Å; R231-R282 WeakPolarHBondContact CD-O 3.33Å; R231-R282 PolarHBondContact NH1-O 2.69Å; S278-R282 WeakPolarHBondContact O-CB 3.43Å; S278-R282 PolarHBondContact O-N 2.92Å; R282-F285 VanDerWaalsContact CZ-CE1 3.4Å; R282-F285 VanDerWaalsContact NH2-CZ 3.28Å; R282-D345 WeakPolarHBondContact CG-OD2 3.36Å; R282-D345 IonicContact NE-OD2 2.82Å; R282-D345 PolarHBondContact NE-OD2 3.45Å; R282-D345 VanDerWaalsContact NE-OD2 3.1Å
283	P	88.4	Confident	90.8	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.013	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-58.1	149	175.3	-18.3	30.2	0	0	0	111.8	R231 L234 F285 R373 P599	R231-P283 PolarHBondContact NH1-O 2.9Å; L234-P283 HydrophobicContact CD2-CG 4.45Å; P283-F285 WeakPolarHBondContact O-CD1 3.45Å; P283-R373 HydrophobicContact CB-CG 4.5Å; P283-R373 HydrophobicContact CG-CG 3.62Å; P283-P599 HydrophobicContact CB-CB 3.86Å; P283-P599 HydrophobicContact CB-CG 3.5Å; P283-P599 VanDerWaalsContact CB-CG 3.5Å; P283-P599 HydrophobicContact CG-CG 3.84Å
284	R	88.6	Confident	90.8	Very high	7 Å²	7	29.9 Å²	29.9	3%	0.026	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-74.2	134.2	166.5	-67.2	-176.6	-165.6	-97.8	3.7	109.5	L193 S195 D196 L198 T199 E203 H229 R231	L193-R284 PolarHBondContact O-NH1 3.35Å; L193-R284 PolarHBondContact O-NH2 3.16Å; L193-R284 VanDerWaalsContact O-NH2 3.09Å; S195-R284 PolarHBondContact O-NH1 2.95Å; D196-R284 CarbonylContact O-C 3.59Å; D196-R284 WeakPolarHBondContact O-CA 3.45Å; D196-R284 VanDerWaalsContact O-CB 3.29Å; D196-R284 WeakPolarHBondContact O-CB 3.45Å; L198-R284 WeakPolarHBondContact O-CD 3.43Å; T199-R284 HydrophobicContact CG2-CB 4.24Å; E203-R284 WeakPolarHBondContact OE1-CD 3.26Å; E203-R284 IonicContact OE1-CZ 2.74Å; E203-R284 IonicContact OE1-NE 3.33Å; E203-R284 PolarHBondContact OE1-NE 3.39Å; E203-R284 IonicContact OE1-NH2 3.11Å; E203-R284 IonicContact OE2-NH2 2.62Å; H229-R284 PolarHBondContact O-NH2 2.85Å; R231-R284 VanDerWaalsContact CZ-CG 3.41Å
285	F	86.8	Confident	90.7	Very high	21 Å²	21	29.6 Å²	29.6	9%	0.092	16%	0.156	C	C	.	.			trans	-156.1	155.7	-179.1	69.8	-80.2	0	0	0	110.4	D196 R282 P283 S287 L288 P597	D196-F285 PolarHBondContact O-N 2.93Å; D196-F285 VanDerWaalsContact O-O 3.07Å; R282-F285 VanDerWaalsContact CZ-CE1 3.4Å; R282-F285 VanDerWaalsContact NH2-CZ 3.28Å; P283-F285 WeakPolarHBondContact O-CD1 3.45Å; F285-S287 WeakPolarHBondContact CD2-O 3.41Å; F285-L288 HydrophobicContact CE2-CD2 3.92Å; F285-L288 HydrophobicContact CE2-CG 4.28Å; F285-L288 HydrophobicContact CZ-CD2 4.29Å; F285-P597 HydrophobicContact CB-CB 4.28Å; F285-P597 HydrophobicContact CD1-CB 3.66Å; F285-P597 HydrophobicContact CD1-CG 4.17Å; F285-P597 HydrophobicContact CD2-CB 4.26Å; F285-P597 HydrophobicContact CE1-CB 4.05Å; F285-P597 HydrophobicContact CE1-CG 4.03Å; F285-P597 HydrophobicContact CG-CB 3.79Å; F285-P597 HydrophobicContact CZ-CB 4.5Å; F285-P597 HydrophobicContact CZ-CG 4.29Å
286	Q	80.7	Confident	90.5	Very high	79 Å²	79	33.1 Å²	33.1	37%	0.369	17%	0.166	S	C	.	.	S	Bend	trans	-89.5	-42.9	179.9	-68.7	179.2	-13.2	0	0	112.7	T199	T199-Q286 HydrophobicContact CG2-CG 4.3Å
287	S	84.7	Confident	90.2	Very high	24 Å²	24	30.3 Å²	30.3	17%	0.168	16%	0.156	C	C	.	.	S	Bend	trans	-149.1	158.5	178.8	60.4	0	0	0	0	110.9	F285 N310 S312	F285-S287 WeakPolarHBondContact CD2-O 3.41Å; S287-N310 PolarHBondContact OG-ND2 3.06Å; S287-N310 VanDerWaalsContact OG-ND2 3.08Å; S287-N310 PolarHBondContact OG-OD1 3.24Å; S287-N310 VanDerWaalsContact OG-OD1 3.13Å; S287-S312 PolarHBondContact OG-OG 3.03Å
288	L	89.7	Confident	89.7	Confident	46 Å²	46	37 Å²	37	24%	0.241	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	145.2	170.7	-65.5	177	0	0	0	109.3	F285 F595 P597	F285-L288 HydrophobicContact CE2-CD2 3.92Å; F285-L288 HydrophobicContact CE2-CG 4.28Å; F285-L288 HydrophobicContact CZ-CD2 4.29Å; L288-F595 HydrophobicContact CB-CB 4.34Å; L288-F595 HydrophobicContact CB-CD1 4.06Å; L288-F595 HydrophobicContact CD1-CB 4.49Å; L288-P597 HydrophobicContact CD2-CG 3.91Å
289	T	91.2	Very high	88.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	151	179.8	62.4	0	0	0	0	110.3	Y291 F309 N310 F595 L596 A598 L606	T289-Y291 WeakPolarHBondContact O-CD2 3.26Å; T289-Y291 WeakPolarHBondContact OG1-CE2 3.48Å; T289-F309 WeakPolarHBondContact CB-O 3.46Å; T289-N310 HydrophobicContact CG2-CB 3.78Å; T289-F595 WeakPolarHBondContact O-CA 3.3Å; T289-F595 WeakPolarHBondContact O-CD1 3.45Å; T289-L596 PolarHBondContact N-O 3.21Å; T289-L596 PolarHBondContact O-N 3.07Å; T289-L596 VanDerWaalsContact O-N 3.08Å; T289-L596 PolarHBondContact OG1-O 3.19Å; T289-A598 HydrophobicContact CG2-CB 3.64Å; T289-A598 VanDerWaalsContact OG1-CB 3.26Å; T289-A598 WeakPolarHBondContact OG1-CB 3.19Å; T289-L606 HydrophobicContact CG2-CD1 3.99Å
290	L	94.1	Very high	88.2	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	117.1	179.3	-177.9	65.9	0	0	0	109	Y308 F309 P311 W325 A542 Y549 V551 I565 T593 F595	L290-Y308 CarbonylContact O-C 3.56Å; L290-Y308 WeakPolarHBondContact O-CA 3.5Å; L290-F309 PolarHBondContact N-O 3.25Å; L290-F309 PolarHBondContact O-N 3.29Å; L290-P311 HydrophobicContact CB-CG 4.42Å; L290-W325 HydrophobicContact CD2-CH2 3.99Å; L290-W325 HydrophobicContact CG-CH2 4.35Å; L290-A542 HydrophobicContact CD1-CB 4.04Å; L290-Y549 HydrophobicContact CD2-CD1 4.34Å; L290-V551 HydrophobicContact CD2-CG2 4.36Å; L290-I565 HydrophobicContact CD2-CD1 4.07Å; L290-T593 WeakPolarHBondContact CD1-OG1 3.17Å; L290-F595 HydrophobicContact CB-CD1 4.49Å; L290-F595 HydrophobicContact CB-CE1 3.91Å; L290-F595 HydrophobicContact CB-CZ 3.98Å; L290-F595 HydrophobicContact CD1-CD2 4.14Å; L290-F595 HydrophobicContact CD1-CE1 4.44Å; L290-F595 HydrophobicContact CD1-CE2 3.67Å; L290-F595 HydrophobicContact CD1-CZ 3.84Å; L290-F595 HydrophobicContact CG-CZ 4.44Å
291	Y	95.6	Very high	87.6	Confident	1 Å²	1	42.9 Å²	42.9	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	137.2	174.1	-75.2	-112.6	0	0	0	110.2	T289 L306 R307 L328 Y370 T593 C594 L596 P597 A598	T289-Y291 WeakPolarHBondContact O-CD2 3.26Å; T289-Y291 WeakPolarHBondContact OG1-CE2 3.48Å; Y291-L306 HydrophobicContact CD1-CD1 4Å; Y291-L306 HydrophobicContact CD1-CD2 4.23Å; Y291-L306 HydrophobicContact CD1-CG 4.17Å; Y291-L306 HydrophobicContact CE1-CD2 4.46Å; Y291-R307 CarbonylContact C-O 3.51Å; Y291-R307 VanDerWaalsContact CA-O 3.31Å; Y291-R307 WeakPolarHBondContact CA-O 3.38Å; Y291-L328 HydrophobicContact CD1-CD1 3.99Å; Y291-L328 HydrophobicContact CE1-CD1 3.29Å; Y291-Y370 HydrophobicContact CE1-CE1 4.25Å; Y291-T593 CarbonylContact O-C 3.56Å; Y291-T593 WeakPolarHBondContact O-CA 3.43Å; Y291-T593 PolarHBondContact O-OG1 2.83Å; Y291-C594 PolarHBondContact N-O 2.98Å; Y291-C594 PolarHBondContact O-N 3.22Å; Y291-L596 HydrophobicContact CD2-CB 3.72Å; Y291-L596 HydrophobicContact CD2-CD1 4.31Å; Y291-L596 HydrophobicContact CE2-CB 3.54Å; Y291-L596 HydrophobicContact CG-CD1 4.32Å; Y291-P597 PolarHBondContact OH-O 2.89Å; Y291-A598 WeakPolarHBondContact OH-CA 3.25Å
292	I	96.1	Very high	87.4	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.8	169.5	65.5	175.7	0	0	0	109.9	L306 R307 W325 V551 L584 P585 I591 A592	I292-L306 WeakPolarHBondContact O-CA 3.36Å; I292-R307 HydrophobicContact CD1-CB 4.1Å; I292-R307 HydrophobicContact CG1-CB 3.75Å; I292-R307 PolarHBondContact N-O 3.17Å; I292-R307 PolarHBondContact O-N 3.1Å; I292-W325 HydrophobicContact CB-CZ3 4.31Å; I292-W325 HydrophobicContact CD1-CD2 4.41Å; I292-W325 HydrophobicContact CD1-CE3 3.9Å; I292-W325 HydrophobicContact CD1-CH2 4.04Å; I292-W325 HydrophobicContact CD1-CZ3 3.69Å; I292-W325 HydrophobicContact CG1-CE3 4.14Å; I292-W325 HydrophobicContact CG1-CH2 4.3Å; I292-W325 HydrophobicContact CG1-CZ3 3.69Å; I292-W325 HydrophobicContact CG2-CH2 3.67Å; I292-W325 HydrophobicContact CG2-CZ3 3.78Å; I292-V551 HydrophobicContact CG2-CG1 3.93Å; I292-L584 HydrophobicContact CD1-CD2 3.63Å; I292-L584 HydrophobicContact CG2-CD2 4.3Å; I292-P585 HydrophobicContact CD1-CG 4.23Å; I292-I591 HydrophobicContact CB-CD1 3.72Å; I292-I591 HydrophobicContact CB-CG1 4.24Å; I292-I591 HydrophobicContact CD1-CD1 4.01Å; I292-I591 HydrophobicContact CG1-CD1 4.23Å; I292-I591 HydrophobicContact CG2-CD1 4.31Å; I292-A592 WeakPolarHBondContact CA-O 3.41Å
293	A	96.6	Very high	87.4	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	128	-177.7	0	0	0	0	0	111.2	L306 H338 A592	A293-L306 HydrophobicContact CB-CD1 3.95Å; A293-H338 PolarHBondContact O-CE1 2.8Å; A293-H338 PolarHBondContact O-NE2 3.47Å; A293-A592 PolarHBondContact N-O 3.31Å; A293-A592 PolarHBondContact O-N 3.1Å; A293-A592 VanDerWaalsContact O-N 3.16Å
294	G	95.3	Very high	87.7	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.01	21%	0.207	C	C	.	.			trans	60.3	-142.7	170.9	0	0	0	0	0	115.3	V303 E305 M331	G294-V303 WeakPolarHBondContact CA-O 3.2Å; G294-E305 PolarHBondContact N-O 2.97Å; G294-E305 VanDerWaalsContact N-O 3.1Å; G294-M331 VanDerWaalsContact CA-CE 3.46Å
295	G	94.1	Very high	87.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.216	C	C	.	.			trans	101.6	-167.5	-174.4	0	0	0	0	0	113	V303 R335 N589 G590	G295-V303 PolarHBondContact O-N 2.94Å; G295-R335 PolarHBondContact N-O 2.91Å; G295-N589 WeakPolarHBondContact CA-O 3.47Å; G295-G590 WeakPolarHBondContact CA-O 3.37Å
296	R	90.5	Very high	88.3	Confident	117 Å²	117	46.7 Å²	46.7	44%	0.442	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-125.7	124.3	-176.8	171.4	176.1	-167.2	-165.4	-1.3	109.9	S301 S588 N589	R296-S301 WeakPolarHBondContact CA-O 3.44Å; R296-S301 WeakPolarHBondContact CB-O 3.26Å; R296-S301 VanDerWaalsContact CG-O 3.25Å; R296-S301 WeakPolarHBondContact CG-O 3.43Å; R296-S588 PolarHBondContact N-OG 2.89Å; R296-S588 WeakPolarHBondContact O-CA 3.25Å; R296-S588 PolarHBondContact O-OG 3.04Å; R296-N589 PolarHBondContact N-O 3.09Å; R296-N589 PolarHBondContact O-N 3.14Å; R296-N589 PolarHBondContact O-OD1 2.78Å
297	K	87.4	Confident	88.9	Confident	30 Å²	30	44.6 Å²	44.6	13%	0.13	20%	0.2	C	C	.	.			trans	-95.2	165.6	168.5	-61.7	171.6	-171.8	-170.8	0	108.9	V300 V303 E305 F586	K297-V300 CarbonylContact C-O 3.59Å; K297-V300 WeakPolarHBondContact CA-O 3.44Å; K297-V300 HydrophobicContact CB-CB 4.16Å; K297-V300 WeakPolarHBondContact CB-O 3.27Å; K297-V300 HydrophobicContact CD-CB 4.28Å; K297-V300 PolarHBondContact N-O 3.45Å; K297-V300 CarbonylContact O-C 3.54Å; K297-V303 HydrophobicContact CB-CG2 4.46Å; K297-V303 HydrophobicContact CD-CG2 3.74Å; K297-V303 VanDerWaalsContact CE-CG2 3.48Å; K297-V303 HydrophobicContact CG-CG2 3.59Å; K297-E305 IonicContact NZ-OE1 2.64Å; K297-E305 PolarHBondContact NZ-OE1 3.21Å; K297-E305 IonicContact NZ-OE2 2.76Å; K297-E305 PolarHBondContact NZ-OE2 2.94Å; K297-E305 VanDerWaalsContact NZ-OE2 3.1Å; K297-F586 HydrophobicContact CD-CB 4.45Å; K297-F586 HydrophobicContact CD-CD2 3.96Å; K297-F586 HydrophobicContact CD-CE2 4.31Å; K297-F586 HydrophobicContact CD-CG 4.12Å; K297-F586 VanDerWaalsContact CE-CD1 3.48Å; K297-F586 VanDerWaalsContact CE-CZ 3.5Å; K297-F586 HydrophobicContact CG-CD2 3.69Å; K297-F586 HydrophobicContact CG-CE2 4.07Å; K297-F586 HydrophobicContact CG-CG 4.3Å
298	R	79.8	Confident	89.3	Confident	191 Å²	191	43.5 Å²	43.5	72%	0.721	19%	0.193	S	C	*	.	S	Bend	trans	-64.9	-45	173.2	-174	178.2	-177.4	158.2	7.1	111.8	E560	R298-E560 IonicContact CZ-OE1 2.81Å; R298-E560 VanDerWaalsContact CZ-OE1 3.29Å; R298-E560 IonicContact CZ-OE2 3.23Å; R298-E560 VanDerWaalsContact NH1-CD 3.29Å; R298-E560 IonicContact NH1-OE1 2.65Å; R298-E560 PolarHBondContact NH1-OE1 2.67Å; R298-E560 IonicContact NH1-OE2 3.29Å; R298-E560 PolarHBondContact NH1-OE2 2.82Å; R298-E560 IonicContact NH2-OE1 3.64Å
299	E	73.7	Confident	89.2	Confident	184 Å²	184	41.6 Å²	41.6	86%	0.86	18%	0.183	S	C	*	.	S	Bend	trans	-83.4	-34.2	-177.4	-64.7	153.7	-169.2	0	0	112.4
300	V	72.5	Confident	88.9	Confident	69 Å²	69	42.4 Å²	42.4	42%	0.418	19%	0.187	S	C	.	.			trans	-115.5	111.1	-179.8	-178.7	0	0	0	0	108.6	K297 R302	K297-V300 CarbonylContact C-O 3.59Å; K297-V300 WeakPolarHBondContact CA-O 3.44Å; K297-V300 HydrophobicContact CB-CB 4.16Å; K297-V300 WeakPolarHBondContact CB-O 3.27Å; K297-V300 HydrophobicContact CD-CB 4.28Å; K297-V300 PolarHBondContact N-O 3.45Å; K297-V300 CarbonylContact O-C 3.54Å; V300-R302 VanDerWaalsContact C-N 3.27Å; V300-R302 PolarHBondContact O-N 3.37Å
301	S	73.9	Confident	88.2	Confident	41 Å²	41	43.4 Å²	43.4	29%	0.287	19%	0.193	S	C	.	.	S	Bend	trans	-53.4	-43.5	-178.3	61.2	0	0	0	0	112	R296 E355	R296-S301 WeakPolarHBondContact CA-O 3.44Å; R296-S301 WeakPolarHBondContact CB-O 3.26Å; R296-S301 VanDerWaalsContact CG-O 3.25Å; R296-S301 WeakPolarHBondContact CG-O 3.43Å; S301-E355 VanDerWaalsContact CB-OE2 3.26Å; S301-E355 WeakPolarHBondContact CB-OE2 3.32Å; S301-E355 PolarHBondContact OG-OE2 3.21Å
302	R	85.6	Confident	87	Confident	26 Å²	26	46.1 Å²	46.1	10%	0.098	21%	0.212	C	C	.	.	S	Bend	trans	-142.6	123	-174.2	-61.1	-64.5	179.3	-88.1	11	111.8	V300 S336 E353	V300-R302 VanDerWaalsContact C-N 3.27Å; V300-R302 PolarHBondContact O-N 3.37Å; R302-S336 WeakPolarHBondContact CD-OG 3.32Å; R302-S336 PolarHBondContact NE-OG 3.23Å; R302-E353 IonicContact CZ-OE2 2.67Å; R302-E353 IonicContact NE-OE2 3.3Å; R302-E353 IonicContact NH2-OE2 3.1Å; R302-E353 PolarHBondContact NH2-OE2 3.5Å
303	V	90.6	Very high	85.3	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	24%	0.239	C	C	.	.			trans	-91.9	139.9	-171	-178.1	0	0	0	0	110.9	G294 G295 K297 E305 M331 G334 R335 F586	G294-V303 WeakPolarHBondContact CA-O 3.2Å; G295-V303 PolarHBondContact O-N 2.94Å; K297-V303 HydrophobicContact CB-CG2 4.46Å; K297-V303 HydrophobicContact CD-CG2 3.74Å; K297-V303 VanDerWaalsContact CE-CG2 3.48Å; K297-V303 HydrophobicContact CG-CG2 3.59Å; V303-E305 HydrophobicContact CG1-CB 3.68Å; V303-E305 HydrophobicContact CG1-CG 3.91Å; V303-M331 WeakPolarHBondContact O-CE 3.45Å; V303-G334 WeakPolarHBondContact O-CA 3.46Å; V303-R335 PolarHBondContact O-N 3.27Å; V303-R335 VanDerWaalsContact O-N 3.17Å; V303-F586 HydrophobicContact CG1-CZ 4.1Å; V303-F586 HydrophobicContact CG2-CE2 4.44Å
304	R	93.9	Very high	83.5	Confident	119 Å²	119	52 Å²	52	45%	0.449	25%	0.252	S	S	.	.			trans	-96.8	-19	173.9	-69	-179.9	67.8	-178.1	-1.8	113.5	L306 P330 M331 P332 G334	R304-L306 PolarHBondContact O-N 3.22Å; R304-P330 HydrophobicContact CB-CB 4.05Å; R304-P330 WeakPolarHBondContact O-CA 3.48Å; R304-M331 VanDerWaalsContact CZ-O 3.26Å; R304-M331 PolarHBondContact NE-O 2.89Å; R304-M331 PolarHBondContact NH2-O 3.35Å; R304-M331 PolarHBondContact O-N 2.82Å; R304-P332 PolarHBondContact NH2-O 3.05Å; R304-G334 VanDerWaalsContact CG-N 3.27Å
305	E	93.6	Very high	81.4	Confident	47 Å²	47	58.2 Å²	58.2	22%	0.22	28%	0.28	C	S	.	.			trans	-60	134	-170.9	-63.7	159.4	-136.8	0	0	111.3	G294 K297 V303 R307 F586	G294-E305 PolarHBondContact N-O 2.97Å; G294-E305 VanDerWaalsContact N-O 3.1Å; K297-E305 IonicContact NZ-OE1 2.64Å; K297-E305 PolarHBondContact NZ-OE1 3.21Å; K297-E305 IonicContact NZ-OE2 2.76Å; K297-E305 PolarHBondContact NZ-OE2 2.94Å; K297-E305 VanDerWaalsContact NZ-OE2 3.1Å; V303-E305 HydrophobicContact CG1-CB 3.68Å; V303-E305 HydrophobicContact CG1-CG 3.91Å; E305-R307 HydrophobicContact CB-CG 4.38Å; E305-R307 IonicContact OE2-CZ 2.69Å; E305-R307 VanDerWaalsContact OE2-CZ 3.25Å; E305-R307 IonicContact OE2-NE 3.97Å; E305-R307 PolarHBondContact OE2-NE 2.91Å; E305-R307 IonicContact OE2-NH2 2.66Å; E305-R307 PolarHBondContact OE2-NH2 3.2Å; E305-F586 WeakPolarHBondContact OE2-CE1 3.49Å
306	L	95.2	Very high	78.8	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.8	160.6	-179.6	69	0	0	0	105.8	Y291 I292 A293 R304 L328 L347 Y370 W377	Y291-L306 HydrophobicContact CD1-CD1 4Å; Y291-L306 HydrophobicContact CD1-CD2 4.23Å; Y291-L306 HydrophobicContact CD1-CG 4.17Å; Y291-L306 HydrophobicContact CE1-CD2 4.46Å; I292-L306 WeakPolarHBondContact O-CA 3.36Å; A293-L306 HydrophobicContact CB-CD1 3.95Å; R304-L306 PolarHBondContact O-N 3.22Å; L306-L328 HydrophobicContact CB-CB 4.32Å; L306-L328 HydrophobicContact CD2-CB 3.95Å; L306-L328 HydrophobicContact CD2-CD1 3.95Å; L306-L328 HydrophobicContact CG-CB 4.2Å; L306-L328 HydrophobicContact CG-CD1 4.26Å; L306-L328 PolarHBondContact O-N 3.39Å; L306-L347 HydrophobicContact CD1-CD2 3.75Å; L306-Y370 HydrophobicContact CD2-CD1 3.73Å; L306-Y370 HydrophobicContact CD2-CD2 3.84Å; L306-Y370 HydrophobicContact CD2-CE1 3.61Å; L306-Y370 HydrophobicContact CD2-CE2 3.72Å; L306-Y370 HydrophobicContact CD2-CG 3.84Å; L306-W377 HydrophobicContact CB-CZ2 4.22Å; L306-W377 HydrophobicContact CD1-CZ2 4.42Å; L306-W377 HydrophobicContact CD2-CZ2 3.83Å; L306-W377 HydrophobicContact CG-CZ2 4.38Å
307	R	93.6	Very high	76.5	Confident	35 Å²	35	65.1 Å²	65.1	13%	0.132	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	155.7	177.3	-60.6	-176.1	-179.1	-123.9	1.7	110.3	Y291 I292 E305 W325 S326 E327 P585	Y291-R307 CarbonylContact C-O 3.51Å; Y291-R307 VanDerWaalsContact CA-O 3.31Å; Y291-R307 WeakPolarHBondContact CA-O 3.38Å; I292-R307 HydrophobicContact CD1-CB 4.1Å; I292-R307 HydrophobicContact CG1-CB 3.75Å; I292-R307 PolarHBondContact N-O 3.17Å; I292-R307 PolarHBondContact O-N 3.1Å; E305-R307 HydrophobicContact CB-CG 4.38Å; E305-R307 IonicContact OE2-CZ 2.69Å; E305-R307 VanDerWaalsContact OE2-CZ 3.25Å; E305-R307 IonicContact OE2-NE 3.97Å; E305-R307 PolarHBondContact OE2-NE 2.91Å; E305-R307 IonicContact OE2-NH2 2.66Å; E305-R307 PolarHBondContact OE2-NH2 3.2Å; R307-W325 HydrophobicContact CB-CE3 3.92Å; R307-S326 CarbonylContact C-O 3.58Å; R307-S326 WeakPolarHBondContact CA-O 3.22Å; R307-S326 WeakPolarHBondContact CB-O 3.43Å; R307-E327 HydrophobicContact CG-CG 3.99Å; R307-E327 IonicContact CZ-OE1 3.62Å; R307-E327 IonicContact NE-OE1 3.57Å; R307-E327 IonicContact NH1-OE1 3.74Å; R307-E327 PolarHBondContact NH1-OE1 2.97Å; R307-E327 IonicContact NH2-OE1 3.89Å; R307-E327 PolarHBondContact NH2-OE1 3.24Å; R307-P585 VanDerWaalsContact CD-CG 3.43Å
308	Y	92.3	Very high	74.3	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.008	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	158.8	174.3	73.8	-80.1	0	0	0	112	L290 W325 S326 L328 C603 N605 L606	L290-Y308 CarbonylContact O-C 3.56Å; L290-Y308 WeakPolarHBondContact O-CA 3.5Å; Y308-W325 WeakPolarHBondContact O-CA 3.42Å; Y308-S326 VanDerWaalsContact CE1-CB 3.41Å; Y308-S326 PolarHBondContact N-O 3.09Å; Y308-S326 PolarHBondContact O-N 3.02Å; Y308-L328 HydrophobicContact CD1-CD1 3.55Å; Y308-L328 HydrophobicContact CD1-CD2 4.26Å; Y308-L328 HydrophobicContact CD1-CG 3.69Å; Y308-L328 HydrophobicContact CE1-CD1 4.15Å; Y308-L328 HydrophobicContact CE1-CD2 4.01Å; Y308-L328 HydrophobicContact CE1-CG 3.9Å; Y308-L328 HydrophobicContact CG-CD1 4.33Å; Y308-C603 HydrophobicContact CE1-CB 4.23Å; Y308-C603 HydrophobicContact CE2-CB 3.96Å; Y308-C603 VanDerWaalsContact OH-CA 3.25Å; Y308-C603 WeakPolarHBondContact OH-CA 3.43Å; Y308-C603 WeakPolarHBondContact OH-CB 3.49Å; Y308-N605 PolarHBondContact OH-ND2 2.96Å; Y308-N605 PolarHBondContact OH-OD1 3.05Å; Y308-L606 HydrophobicContact CD2-CD1 4.42Å; Y308-L606 HydrophobicContact CE2-CD1 3.75Å; Y308-L606 HydrophobicContact CE2-CD2 3.99Å; Y308-L606 HydrophobicContact CE2-CG 3.8Å
309	F	87.8	Confident	72.3	Confident	6 Å²	6	71.7 Å²	71.7	3%	0.026	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	137.8	178.3	167.2	-95.6	0	0	0	108.8	T289 L290 P311 Q314 W325 P582	T289-F309 WeakPolarHBondContact CB-O 3.46Å; L290-F309 PolarHBondContact N-O 3.25Å; L290-F309 PolarHBondContact O-N 3.29Å; F309-P311 HydrophobicContact CD1-CG 4.07Å; F309-P311 VanDerWaalsContact CE1-CA 3.46Å; F309-P311 HydrophobicContact CE1-CB 4.03Å; F309-P311 HydrophobicContact CE1-CG 3.95Å; F309-P311 WeakPolarHBondContact O-CD 3.43Å; F309-Q314 HydrophobicContact CZ-CG 4.13Å; F309-W325 HydrophobicContact CB-CD2 3.82Å; F309-W325 HydrophobicContact CB-CE3 3.6Å; F309-W325 HydrophobicContact CB-CH2 3.7Å; F309-W325 HydrophobicContact CB-CZ2 3.89Å; F309-W325 HydrophobicContact CB-CZ3 3.55Å; F309-W325 HydrophobicContact CG-CZ2 4.38Å; F309-P582 HydrophobicContact CD1-CG 3.97Å; F309-P582 HydrophobicContact CE1-CB 4.44Å; F309-P582 HydrophobicContact CE1-CG 3.53Å; F309-P582 HydrophobicContact CE2-CB 4.22Å; F309-P582 HydrophobicContact CE2-CG 4.15Å; F309-P582 HydrophobicContact CG-CG 4.46Å; F309-P582 HydrophobicContact CZ-CB 4.07Å; F309-P582 HydrophobicContact CZ-CG 3.64Å
310	N	85.4	Confident	70.8	Confident	17 Å²	17	67.2 Å²	67.2	9%	0.091	36%	0.363	C	S	.	.			trans	-97.8	111.1	176.3	-172	-7.3	0	0	0	110.9	S287 T289 S312 A313 L606	S287-N310 PolarHBondContact OG-ND2 3.06Å; S287-N310 VanDerWaalsContact OG-ND2 3.08Å; S287-N310 PolarHBondContact OG-OD1 3.24Å; S287-N310 VanDerWaalsContact OG-OD1 3.13Å; T289-N310 HydrophobicContact CG2-CB 3.78Å; N310-S312 PolarHBondContact ND2-OG 2.9Å; N310-S312 PolarHBondContact O-N 2.82Å; N310-S312 PolarHBondContact OD1-N 2.91Å; N310-S312 PolarHBondContact OD1-OG 3.14Å; N310-A313 HydrophobicContact CB-CB 4.46Å; N310-L606 HydrophobicContact CB-CD2 3.8Å
311	P	78.1	Confident	69.2	Low	22 Å²	22	66.6 Å²	66.6	14%	0.143	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-68.5	-29.7	178.3	-19.3	34	0	0	0	114.4	L290 F309 A313 Q314 F595	L290-P311 HydrophobicContact CB-CG 4.42Å; F309-P311 HydrophobicContact CD1-CG 4.07Å; F309-P311 VanDerWaalsContact CE1-CA 3.46Å; F309-P311 HydrophobicContact CE1-CB 4.03Å; F309-P311 HydrophobicContact CE1-CG 3.95Å; F309-P311 WeakPolarHBondContact O-CD 3.43Å; P311-A313 PolarHBondContact O-N 3.21Å; P311-Q314 PolarHBondContact O-N 2.9Å; P311-F595 HydrophobicContact CG-CE1 3.83Å; P311-F595 HydrophobicContact CG-CZ 4.13Å
312	S	71.8	Confident	68	Low	57 Å²	57	67.9 Å²	67.9	40%	0.399	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-68.8	-23.5	-176.9	69.1	0	0	0	0	112.6	S287 N310 Q314	S287-S312 PolarHBondContact OG-OG 3.03Å; N310-S312 PolarHBondContact ND2-OG 2.9Å; N310-S312 PolarHBondContact O-N 2.82Å; N310-S312 PolarHBondContact OD1-N 2.91Å; N310-S312 PolarHBondContact OD1-OG 3.14Å; S312-Q314 PolarHBondContact O-N 3.23Å
313	A	60.5	Low	66.8	Low	68 Å²	68	68.4 Å²	68.4	56%	0.562	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-66.5	-14	176.1	0	0	0	0	0	113.7	N310 P311	N310-A313 HydrophobicContact CB-CB 4.46Å; P311-A313 PolarHBondContact O-N 3.21Å
314	Q	58.4	Low	66	Low	60 Å²	60	74.6 Å²	74.6	28%	0.28	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-107.7	1.5	-176.1	-73.7	-167.1	-20.6	0	0	115.1	F309 P311 S312 H316 V317	F309-Q314 HydrophobicContact CZ-CG 4.13Å; P311-Q314 PolarHBondContact O-N 2.9Å; S312-Q314 PolarHBondContact O-N 3.23Å; Q314-H316 PolarHBondContact O-N 3.08Å; Q314-V317 PolarHBondContact O-N 2.94Å
315	E	50.1	Low	65.6	Low	131 Å²	131	69.9 Å²	69.9	61%	0.612	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.7	174.8	-69.4	-162	149.1	0	0	112.7	R547	E315-R547 IonicContact OE1-NH1 3.55Å
316	H	40.8	Very low	65.5	Low	180 Å²	180	68.9 Å²	68.9	83%	0.833	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	0.2	174	-62.4	-56.8	0	0	0	115.4	Q314	Q314-H316 PolarHBondContact O-N 3.08Å
317	V	42.6	Very low	65.3	Low	82 Å²	82	74.5 Å²	74.5	50%	0.497	44%	0.437	S	S	.	.			trans	-130.9	78.7	-175	-169.7	0	0	0	0	110.7	Q314 V319	Q314-V317 PolarHBondContact O-N 2.94Å; V317-V319 PolarHBondContact O-N 3.46Å
318	R	41.2	Very low	65.3	Low	242 Å²	242	73.5 Å²	73.5	91%	0.913	43%	0.434	S	S	*	.			trans	-79	21	172.2	-73.3	-174.3	170.2	-178	-5	114.2
319	V	37.4	Very low	65.4	Low	116 Å²	116	74.6 Å²	74.6	70%	0.703	44%	0.443	S	S	*	.	S	Bend	trans	-126.1	125.8	-176.5	-174.5	0	0	0	0	110	V317 G321	V317-V319 PolarHBondContact O-N 3.46Å; V319-G321 PolarHBondContact O-N 2.88Å
320	G	40.8	Very low	65.8	Low	91 Å²	91	77.6 Å²	77.6	94%	0.938	46%	0.463	S	S	*	.			trans	-53.1	106.5	-177.9	0	0	0	0	0	113.2
321	G	39.7	Very low	66.2	Low	55 Å²	55	76.8 Å²	76.8	57%	0.567	46%	0.459	S	S	*	.			trans	-136.3	142.6	164.1	0	0	0	0	0	107.5	V319	V319-G321 PolarHBondContact O-N 2.88Å
322	G	49.8	Very low	67	Low	69 Å²	69	78 Å²	78	71%	0.711	47%	0.467	S	S	*	.			trans	-42.4	142.3	-166.2	0	0	0	0	0	115.5	N324	G322-N324 PolarHBondContact O-N 3.34Å
323	S	58.5	Low	68	Low	36 Å²	36	77.9 Å²	77.9	25%	0.252	46%	0.464	S	S	.	.			trans	-67.7	123.3	-175.6	-171.4	0	0	0	0	112.1	W325 T583	S323-W325 PolarHBondContact O-N 3.45Å; S323-W325 PolarHBondContact OG-NE1 3.41Å; S323-T583 WeakPolarHBondContact CB-O 3.4Å; S323-T583 PolarHBondContact OG-O 2.98Å
324	N	74.1	Confident	69.5	Low	131 Å²	131	75.2 Å²	75.2	70%	0.701	44%	0.444	S	S	*	.			trans	-74	51.3	177	-81.2	-10.5	0	0	0	112.4	G322 S326	G322-N324 PolarHBondContact O-N 3.34Å; N324-S326 PolarHBondContact O-N 3.45Å
325	W	87.1	Confident	71.3	Confident	21 Å²	21	72.6 Å²	72.6	8%	0.08	43%	0.431	C	S	.	.			trans	-70.5	129.3	172.2	-71.4	99.3	0	0	0	110.3	L290 I292 R307 Y308 F309 S323 I565 T583 L584 P585	L290-W325 HydrophobicContact CD2-CH2 3.99Å; L290-W325 HydrophobicContact CG-CH2 4.35Å; I292-W325 HydrophobicContact CB-CZ3 4.31Å; I292-W325 HydrophobicContact CD1-CD2 4.41Å; I292-W325 HydrophobicContact CD1-CE3 3.9Å; I292-W325 HydrophobicContact CD1-CH2 4.04Å; I292-W325 HydrophobicContact CD1-CZ3 3.69Å; I292-W325 HydrophobicContact CG1-CE3 4.14Å; I292-W325 HydrophobicContact CG1-CH2 4.3Å; I292-W325 HydrophobicContact CG1-CZ3 3.69Å; I292-W325 HydrophobicContact CG2-CH2 3.67Å; I292-W325 HydrophobicContact CG2-CZ3 3.78Å; R307-W325 HydrophobicContact CB-CE3 3.92Å; Y308-W325 WeakPolarHBondContact O-CA 3.42Å; F309-W325 HydrophobicContact CB-CD2 3.82Å; F309-W325 HydrophobicContact CB-CE3 3.6Å; F309-W325 HydrophobicContact CB-CH2 3.7Å; F309-W325 HydrophobicContact CB-CZ2 3.89Å; F309-W325 HydrophobicContact CB-CZ3 3.55Å; F309-W325 HydrophobicContact CG-CZ2 4.38Å; S323-W325 PolarHBondContact O-N 3.45Å; S323-W325 PolarHBondContact OG-NE1 3.41Å; W325-I565 HydrophobicContact CH2-CD1 4.16Å; W325-I565 HydrophobicContact CZ2-CD1 3.65Å; W325-T583 PolarHBondContact NE1-O 3.41Å; W325-L584 HydrophobicContact CH2-CD2 4.16Å; W325-L584 HydrophobicContact CZ2-CD2 3.8Å; W325-P585 HydrophobicContact CB-CB 4.13Å; W325-P585 HydrophobicContact CB-CG 3.97Å; W325-P585 VanDerWaalsContact CD1-CD 3.44Å; W325-P585 HydrophobicContact CD2-CG 4.14Å; W325-P585 HydrophobicContact CG-CB 4.11Å; W325-P585 HydrophobicContact CG-CG 3.72Å
326	S	89.9	Confident	73.4	Confident	25 Å²	25	66.3 Å²	66.3	18%	0.175	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.7	175.3	-64.8	0	0	0	0	111.3	R307 Y308 N324 N605	R307-S326 CarbonylContact C-O 3.58Å; R307-S326 WeakPolarHBondContact CA-O 3.22Å; R307-S326 WeakPolarHBondContact CB-O 3.43Å; Y308-S326 VanDerWaalsContact CE1-CB 3.41Å; Y308-S326 PolarHBondContact N-O 3.09Å; Y308-S326 PolarHBondContact O-N 3.02Å; N324-S326 PolarHBondContact O-N 3.45Å; S326-N605 PolarHBondContact OG-ND2 3.35Å; S326-N605 PolarHBondContact OG-OD1 3.42Å
327	E	91.3	Very high	76.1	Confident	119 Å²	119	58.7 Å²	58.7	56%	0.556	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	144	-179.5	-67.5	-175.9	-166.8	0	0	111.2	R307	R307-E327 HydrophobicContact CG-CG 3.99Å; R307-E327 IonicContact CZ-OE1 3.62Å; R307-E327 IonicContact NE-OE1 3.57Å; R307-E327 IonicContact NH1-OE1 3.74Å; R307-E327 PolarHBondContact NH1-OE1 2.97Å; R307-E327 IonicContact NH2-OE1 3.89Å; R307-E327 PolarHBondContact NH2-OE1 3.24Å
328	L	93.9	Very high	78.7	Confident	14 Å²	14	55.2 Å²	55.2	7%	0.073	35%	0.345	C	S	.	.			trans	-116.6	-179.5	172.2	-70.3	167.1	0	0	0	109.5	Y291 L306 Y308 Y370 T602	Y291-L328 HydrophobicContact CD1-CD1 3.99Å; Y291-L328 HydrophobicContact CE1-CD1 3.29Å; L306-L328 HydrophobicContact CB-CB 4.32Å; L306-L328 HydrophobicContact CD2-CB 3.95Å; L306-L328 HydrophobicContact CD2-CD1 3.95Å; L306-L328 HydrophobicContact CG-CB 4.2Å; L306-L328 HydrophobicContact CG-CD1 4.26Å; L306-L328 PolarHBondContact O-N 3.39Å; Y308-L328 HydrophobicContact CD1-CD1 3.55Å; Y308-L328 HydrophobicContact CD1-CD2 4.26Å; Y308-L328 HydrophobicContact CD1-CG 3.69Å; Y308-L328 HydrophobicContact CE1-CD1 4.15Å; Y308-L328 HydrophobicContact CE1-CD2 4.01Å; Y308-L328 HydrophobicContact CE1-CG 3.9Å; Y308-L328 HydrophobicContact CG-CD1 4.33Å; L328-Y370 HydrophobicContact CD1-CE1 4.46Å; L328-T602 WeakPolarHBondContact CD2-O 3.42Å
329	A	94.1	Very high	81.4	Confident	24 Å²	24	44.7 Å²	44.7	20%	0.198	31%	0.308	C	S	.	.	S	Bend	trans	-53.7	125.8	177.8	0	0	0	0	0	109.9	N375 W377	A329-N375 WeakPolarHBondContact CB-O 3.18Å; A329-N375 WeakPolarHBondContact CB-OD1 3.49Å; A329-N375 PolarHBondContact N-OD1 3.08Å; A329-W377 PolarHBondContact O-NE1 2.86Å
330	P	95.3	Very high	84.3	Confident	69 Å²	69	40.4 Å²	40.4	45%	0.448	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-70.7	150.1	-176	28.6	-34.8	0	0	0	110.5	R304 W377	R304-P330 HydrophobicContact CB-CB 4.05Å; R304-P330 WeakPolarHBondContact O-CA 3.48Å; P330-W377 VanDerWaalsContact O-CD1 3.29Å; P330-W377 PolarHBondContact O-NE1 3.02Å
331	M	95.6	Very high	87	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-54.2	150.6	172.6	-70	-176.1	-70	0	0	111.1	G294 V303 R304 T333 R335 V349 W377	G294-M331 VanDerWaalsContact CA-CE 3.46Å; V303-M331 WeakPolarHBondContact O-CE 3.45Å; R304-M331 VanDerWaalsContact CZ-O 3.26Å; R304-M331 PolarHBondContact NE-O 2.89Å; R304-M331 PolarHBondContact NH2-O 3.35Å; R304-M331 PolarHBondContact O-N 2.82Å; M331-T333 PolarHBondContact O-N 3.11Å; M331-R335 HydrophobicContact CE-CG 4.14Å; M331-R335 HydrophobicContact SD-CG 4.29Å; M331-V349 HydrophobicContact SD-CB 4.47Å; M331-V349 HydrophobicContact SD-CG1 3.88Å; M331-V349 HydrophobicContact SD-CG2 4.04Å; M331-W377 HydrophobicContact CB-CZ2 4.4Å; M331-W377 HydrophobicContact CG-CD2 4.39Å; M331-W377 HydrophobicContact CG-CH2 3.58Å; M331-W377 HydrophobicContact CG-CZ2 3.35Å; M331-W377 HydrophobicContact CG-CZ3 4.17Å; M331-W377 HydrophobicContact SD-CH2 4.24Å
332	P	93.8	Very high	89.7	Confident	47 Å²	47	36.3 Å²	36.3	31%	0.305	23%	0.228	S	C	.	.	S	Bend	trans	-57.1	-34.7	177	-26.5	34.9	0	0	0	113.6	R304 W377	R304-P332 PolarHBondContact NH2-O 3.05Å; P332-W377 HydrophobicContact CG-CB 3.99Å; P332-W377 HydrophobicContact CG-CG 4.47Å
333	T	92.5	Very high	91.9	Very high	55 Å²	55	33.7 Å²	33.7	34%	0.337	20%	0.197	S	C	.	.	S	Bend	trans	-137.7	137.4	-177.8	-46.6	0	0	0	0	110.5	M331 V354	M331-T333 PolarHBondContact O-N 3.11Å; T333-V354 HydrophobicContact CG2-CB 4.49Å; T333-V354 HydrophobicContact CG2-CG1 3.55Å; T333-V354 HydrophobicContact CG2-CG2 4.04Å
334	G	93.2	Very high	93.6	Very high	13 Å²	13	33.1 Å²	33.1	13%	0.134	20%	0.196	C	C	.	.			trans	-71.4	132.9	178.8	0	0	0	0	0	110.3	V303 R304	V303-G334 WeakPolarHBondContact O-CA 3.46Å; R304-G334 VanDerWaalsContact CG-N 3.27Å
335	R	95.3	Very high	94.5	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.015	17%	0.171	C	C	.	.			trans	-151.6	154.6	-176	60.6	178.4	80	-147.2	3	113.2	G295 V303 M331 H338 G351 E353 V354 T366	G295-R335 PolarHBondContact N-O 2.91Å; V303-R335 PolarHBondContact O-N 3.27Å; V303-R335 VanDerWaalsContact O-N 3.17Å; M331-R335 HydrophobicContact CE-CG 4.14Å; M331-R335 HydrophobicContact SD-CG 4.29Å; R335-H338 HydrophobicContact CG-CB 4.21Å; R335-G351 PolarHBondContact NH1-O 2.9Å; R335-E353 VanDerWaalsContact CA-O 3.25Å; R335-E353 WeakPolarHBondContact CA-O 3.44Å; R335-E353 WeakPolarHBondContact CB-O 3.4Å; R335-V354 HydrophobicContact CB-CG2 4.09Å; R335-T366 PolarHBondContact NH1-O 3.04Å; R335-T366 VanDerWaalsContact NH1-O 3.17Å; R335-T366 PolarHBondContact NH1-OG1 3.29Å; R335-T366 PolarHBondContact NH2-OG1 2.84Å; R335-T366 VanDerWaalsContact NH2-OG1 3.14Å
336	S	95.6	Very high	94.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-131.3	166.5	171.3	72.4	0	0	0	0	109.6	R302 H338 G352 E353	R302-S336 WeakPolarHBondContact CD-OG 3.32Å; R302-S336 PolarHBondContact NE-OG 3.23Å; S336-H338 PolarHBondContact O-N 3.44Å; S336-G352 CarbonylContact O-C 3.54Å; S336-G352 WeakPolarHBondContact O-CA 3.38Å; S336-E353 PolarHBondContact N-O 3.31Å; S336-E353 PolarHBondContact O-N 2.98Å; S336-E353 PolarHBondContact OG-OE2 2.91Å
337	H	96.1	Very high	95.2	Very high	20 Å²	20	26.3 Å²	26.3	9%	0.093	16%	0.159	C	C	.	.	S	Bend	trans	54.7	21.2	179	-53.3	117.8	0	0	0	114.1	G352 E353 H389 E538 G590	H337-G352 WeakPolarHBondContact O-CA 3.47Å; H337-E353 IonicContact CE1-OE2 3.5Å; H337-E353 IonicContact CG-OE2 3.37Å; H337-E353 IonicContact ND1-OE1 3.56Å; H337-E353 IonicContact ND1-OE2 3.1Å; H337-E353 PolarHBondContact ND1-OE2 2.98Å; H337-H389 AromaticContact CD2-CE1 3.28Å; H337-H389 PolarHBondContact CD2-CE1 3.13Å; H337-H389 AromaticContact CD2-ND1 3.51Å; H337-H389 AromaticContact CE1-CE1 3.83Å; H337-H389 AromaticContact CG-CE1 3.34Å; H337-H389 AromaticContact CG-ND1 3.67Å; H337-H389 AromaticContact ND1-CE1 3.7Å; H337-H389 AromaticContact NE2-CE1 3.61Å; H337-H389 PolarHBondContact O-N 2.95Å; H337-E538 IonicContact CE1-OE2 2.71Å; H337-E538 IonicContact NE2-OE2 3.69Å; H337-E538 PolarHBondContact NE2-OE2 3.09Å; H337-G590 PolarHBondContact N-O 2.83Å
338	H	97.6	Very high	95.6	Very high	9 Å²	9	20.7 Å²	20.7	4%	0.042	13%	0.133	C	C	.	.			trans	-81.2	162.5	168.4	63.1	-81.5	0	0	0	108.1	A293 R335 S336 V349 V350 G351	A293-H338 PolarHBondContact O-CE1 2.8Å; A293-H338 PolarHBondContact O-NE2 3.47Å; R335-H338 HydrophobicContact CG-CB 4.21Å; S336-H338 PolarHBondContact O-N 3.44Å; H338-V349 HydrophobicContact CB-CG1 4.49Å; H338-V350 WeakPolarHBondContact CB-O 3.24Å; H338-G351 WeakPolarHBondContact CB-O 3.27Å
339	C	97.9	Very high	95.8	Very high	20 Å²	20	20 Å²	20	14%	0.135	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	152.5	173.8	-60	0	0	0	0	109.6	V350 F390 L392	C339-V350 PolarHBondContact N-O 3.48Å; C339-V350 VanDerWaalsContact N-O 3.13Å; C339-V350 PolarHBondContact O-N 3.47Å; C339-F390 HydrophobicContact CB-CD2 4.5Å; C339-F390 HydrophobicContact CB-CE1 4.22Å; C339-F390 HydrophobicContact CB-CE2 3.91Å; C339-F390 HydrophobicContact CB-CZ 3.75Å; C339-F390 PolarHBondContact SG-O 3.06Å; C339-L392 HydrophobicContact CB-CB 3.38Å; C339-L392 HydrophobicContact CB-CD2 4.27Å; C339-L392 HydrophobicContact CB-CG 4.47Å
340	I	97.8	Very high	96	Very high	26 Å²	26	18.9 Å²	18.9	13%	0.133	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	153.5	172.1	70.7	-179.2	0	0	0	111.5	L347 F348 V349 A592 T593 C594	I340-L347 HydrophobicContact CB-CD1 3.74Å; I340-L347 HydrophobicContact CD1-CD1 3.91Å; I340-L347 HydrophobicContact CG1-CD1 4.27Å; I340-L347 HydrophobicContact CG2-CD1 4.09Å; I340-F348 WeakPolarHBondContact CA-O 3.08Å; I340-F348 VanDerWaalsContact CB-O 3.26Å; I340-F348 WeakPolarHBondContact CB-O 3.17Å; I340-V349 HydrophobicContact CG2-CG2 3.81Å; I340-A592 HydrophobicContact CB-CB 4.2Å; I340-A592 HydrophobicContact CD1-CB 3.81Å; I340-A592 HydrophobicContact CG1-CB 3.84Å; I340-A592 HydrophobicContact CG2-CB 3.52Å; I340-T593 VanDerWaalsContact CD1-C 3.44Å; I340-T593 WeakPolarHBondContact CD1-O 3.33Å; I340-C594 HydrophobicContact CD1-CB 3.65Å; I340-C594 HydrophobicContact CG1-CB 4.38Å
341	A	97.9	Very high	96.1	Very high	10 Å²	10	15.6 Å²	15.6	8%	0.083	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	147.2	172.3	0	0	0	0	0	108.8	F348 L392 A394 L399	A341-F348 PolarHBondContact N-O 3.15Å; A341-F348 VanDerWaalsContact N-O 3.16Å; A341-F348 PolarHBondContact O-N 3.28Å; A341-L392 HydrophobicContact CB-CD2 3.63Å; A341-L392 HydrophobicContact CB-CG 3.89Å; A341-A394 HydrophobicContact CB-CB 4.26Å; A341-L399 HydrophobicContact CB-CD2 3.93Å
342	V	97	Very high	96.2	Very high	51 Å²	51	15.6 Å²	15.6	31%	0.309	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.2	174.7	174.1	0	0	0	0	108.4	F346 A394 C594 L596	V342-F346 WeakPolarHBondContact CA-O 3.37Å; V342-A394 VanDerWaalsContact O-CB 3.32Å; V342-A394 WeakPolarHBondContact O-CB 3.38Å; V342-C594 HydrophobicContact CG2-CB 3.87Å; V342-L596 HydrophobicContact CB-CD2 4.2Å; V342-L596 HydrophobicContact CG1-CD2 3.43Å; V342-L596 VanDerWaalsContact CG1-CD2 3.43Å; V342-L596 HydrophobicContact CG1-CG 4.41Å; V342-L596 HydrophobicContact CG2-CD1 4.2Å; V342-L596 HydrophobicContact CG2-CD2 3.71Å; V342-L596 HydrophobicContact CG2-CG 3.84Å
343	M	95.9	Very high	96.2	Very high	14 Å²	14	14.4 Å²	14.4	7%	0.069	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	123.6	173.2	177	-173	-75.2	0	0	108.7	P274 L275 D345 F346 F348 A394 Y398 L399 P420	P274-M343 HydrophobicContact CB-CB 4.44Å; P274-M343 HydrophobicContact CB-CG 3.89Å; P274-M343 HydrophobicContact CB-SD 4.05Å; L275-M343 HydrophobicContact CD2-SD 3.72Å; M343-D345 VanDerWaalsContact C-N 3.3Å; M343-D345 PolarHBondContact O-N 3.22Å; M343-F346 PolarHBondContact N-O 3.12Å; M343-F346 VanDerWaalsContact N-O 3.09Å; M343-F346 PolarHBondContact O-N 2.99Å; M343-F348 HydrophobicContact CB-CD2 4.37Å; M343-F348 HydrophobicContact CB-CE2 3.92Å; M343-A394 HydrophobicContact CB-CB 4.34Å; M343-A394 HydrophobicContact CE-CB 4.19Å; M343-Y398 VanDerWaalsContact CE-C 3.42Å; M343-Y398 VanDerWaalsContact CE-O 3.24Å; M343-Y398 WeakPolarHBondContact CE-O 3.31Å; M343-L399 HydrophobicContact CB-CD2 4.43Å; M343-L399 HydrophobicContact CE-CD2 3.62Å; M343-L399 HydrophobicContact CE-CG 4.15Å; M343-P420 HydrophobicContact SD-CG 3.83Å
344	G	93.1	Very high	96.3	Very high	23 Å²	23	12.5 Å²	12.5	24%	0.237	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	45.3	-179.4	0	0	0	0	0	113.1	P274 Q277 F346	P274-G344 WeakPolarHBondContact O-CA 3.28Å; Q277-G344 VanDerWaalsContact CG-C 3.48Å; Q277-G344 VanDerWaalsContact CG-CA 3.44Å; Q277-G344 WeakPolarHBondContact CG-O 3.49Å; G344-F346 WeakPolarHBondContact O-CD2 3.43Å; G344-F346 VanDerWaalsContact O-CE2 3.31Å; G344-F346 WeakPolarHBondContact O-CE2 3.34Å; G344-F346 PolarHBondContact O-N 3.42Å; G344-F346 VanDerWaalsContact O-N 3.11Å
345	D	92.7	Very high	96	Very high	31 Å²	31	16.1 Å²	16.1	17%	0.166	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	16.1	-177.9	-59	-28.8	0	0	0	115.3	R282 M343 P372 P597	R282-D345 WeakPolarHBondContact CG-OD2 3.36Å; R282-D345 IonicContact NE-OD2 2.82Å; R282-D345 PolarHBondContact NE-OD2 3.45Å; R282-D345 VanDerWaalsContact NE-OD2 3.1Å; M343-D345 VanDerWaalsContact C-N 3.3Å; M343-D345 PolarHBondContact O-N 3.22Å; D345-P372 WeakPolarHBondContact O-CD 3.38Å; D345-P372 VanDerWaalsContact O-CG 3.27Å; D345-P372 WeakPolarHBondContact O-CG 3.35Å; D345-P597 HydrophobicContact CB-CG 4.15Å
346	F	95.4	Very high	95.3	Very high	3 Å²	3	20.2 Å²	20.2	1%	0.013	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.4	168.5	-62.6	-90.2	0	0	0	111.3	Q273 P274 V342 M343 G344 F348 R369 D371	Q273-F346 HydrophobicContact CB-CE2 3.95Å; Q273-F346 HydrophobicContact CB-CZ 3.8Å; P274-F346 HydrophobicContact CB-CD2 3.86Å; P274-F346 HydrophobicContact CB-CE2 4.41Å; P274-F346 HydrophobicContact CG-CD2 3.67Å; P274-F346 HydrophobicContact CG-CE2 4.15Å; P274-F346 HydrophobicContact CG-CG 4.2Å; V342-F346 WeakPolarHBondContact CA-O 3.37Å; M343-F346 PolarHBondContact N-O 3.12Å; M343-F346 VanDerWaalsContact N-O 3.09Å; M343-F346 PolarHBondContact O-N 2.99Å; G344-F346 WeakPolarHBondContact O-CD2 3.43Å; G344-F346 VanDerWaalsContact O-CE2 3.31Å; G344-F346 WeakPolarHBondContact O-CE2 3.34Å; G344-F346 PolarHBondContact O-N 3.42Å; G344-F346 VanDerWaalsContact O-N 3.11Å; F346-F348 HydrophobicContact CB-CE2 3.94Å; F346-R369 HydrophobicContact CB-CG 3.85Å; F346-R369 HydrophobicContact CD1-CG 4.32Å; F346-R369 HydrophobicContact CG-CG 4.39Å; F346-D371 HydrophobicContact CD1-CB 4.1Å; F346-D371 HydrophobicContact CE1-CB 3.93Å
347	L	97.6	Very high	94.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.6	173.4	174.6	58.2	0	0	0	110.3	L306 I340 V349 R369 Y370 W377 L596	L306-L347 HydrophobicContact CD1-CD2 3.75Å; I340-L347 HydrophobicContact CB-CD1 3.74Å; I340-L347 HydrophobicContact CD1-CD1 3.91Å; I340-L347 HydrophobicContact CG1-CD1 4.27Å; I340-L347 HydrophobicContact CG2-CD1 4.09Å; L347-V349 HydrophobicContact CG-CG2 4.4Å; L347-R369 CarbonylContact O-C 3.51Å; L347-R369 VanDerWaalsContact O-CA 3.25Å; L347-R369 WeakPolarHBondContact O-CA 3.42Å; L347-Y370 HydrophobicContact CB-CD1 4.34Å; L347-Y370 PolarHBondContact N-O 3.42Å; L347-Y370 PolarHBondContact O-N 3.08Å; L347-W377 HydrophobicContact CD2-CH2 4.08Å; L347-L596 HydrophobicContact CB-CD1 3.62Å; L347-L596 HydrophobicContact CD1-CD1 4.33Å; L347-L596 HydrophobicContact CD2-CD1 4.36Å; L347-L596 HydrophobicContact CG-CD1 4.32Å
348	F	98.4	Very high	93.7	Very high	2 Å²	2	30 Å²	30	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135.3	170.9	-69.1	-97.5	0	0	0	110	P274 I340 A341 M343 F346 R369 I380 L399 Y418	P274-F348 HydrophobicContact CB-CE2 4.45Å; P274-F348 HydrophobicContact CB-CZ 4.37Å; P274-F348 HydrophobicContact CG-CE2 4.23Å; P274-F348 HydrophobicContact CG-CZ 3.79Å; I340-F348 WeakPolarHBondContact CA-O 3.08Å; I340-F348 VanDerWaalsContact CB-O 3.26Å; I340-F348 WeakPolarHBondContact CB-O 3.17Å; A341-F348 PolarHBondContact N-O 3.15Å; A341-F348 VanDerWaalsContact N-O 3.16Å; A341-F348 PolarHBondContact O-N 3.28Å; M343-F348 HydrophobicContact CB-CD2 4.37Å; M343-F348 HydrophobicContact CB-CE2 3.92Å; F346-F348 HydrophobicContact CB-CE2 3.94Å; F348-R369 HydrophobicContact CD1-CB 4.06Å; F348-R369 HydrophobicContact CD1-CG 4.06Å; F348-R369 HydrophobicContact CD2-CG 4.35Å; F348-R369 HydrophobicContact CE1-CB 3.98Å; F348-R369 HydrophobicContact CE1-CG 3.78Å; F348-R369 HydrophobicContact CE2-CG 4.05Å; F348-R369 HydrophobicContact CG-CG 4.36Å; F348-R369 HydrophobicContact CZ-CB 4.48Å; F348-R369 VanDerWaalsContact CZ-CD 3.48Å; F348-R369 HydrophobicContact CZ-CG 3.79Å; F348-I380 HydrophobicContact CD1-CD1 3.79Å; F348-I380 HydrophobicContact CE1-CD1 4.03Å; F348-L399 HydrophobicContact CB-CD1 3.88Å; F348-L399 HydrophobicContact CD1-CD1 3.57Å; F348-L399 HydrophobicContact CD2-CD1 4.18Å; F348-L399 HydrophobicContact CE1-CD1 4.09Å; F348-L399 HydrophobicContact CG-CD1 3.6Å; F348-Y418 HydrophobicContact CE1-CE1 4.03Å
349	V	98.3	Very high	92.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.9	173.7	170.5	0	0	0	0	107.7	M331 H338 I340 L347 A367 C368 W377	M331-V349 HydrophobicContact SD-CB 4.47Å; M331-V349 HydrophobicContact SD-CG1 3.88Å; M331-V349 HydrophobicContact SD-CG2 4.04Å; H338-V349 HydrophobicContact CB-CG1 4.49Å; I340-V349 HydrophobicContact CG2-CG2 3.81Å; L347-V349 HydrophobicContact CG-CG2 4.4Å; V349-A367 CarbonylContact O-C 3.41Å; V349-A367 VanDerWaalsContact O-CA 3.23Å; V349-A367 WeakPolarHBondContact O-CA 3.45Å; V349-C368 PolarHBondContact N-O 3.13Å; V349-C368 PolarHBondContact O-N 3.07Å; V349-W377 HydrophobicContact CB-CZ3 4.09Å; V349-W377 HydrophobicContact CG2-CH2 3.56Å; V349-W377 HydrophobicContact CG2-CZ3 3.57Å
350	V	98.6	Very high	91.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.1	-171.3	-175.2	0	0	0	0	110.5	H338 C339 A367 M383 F390 L392 W425	H338-V350 WeakPolarHBondContact CB-O 3.24Å; C339-V350 PolarHBondContact N-O 3.48Å; C339-V350 VanDerWaalsContact N-O 3.13Å; C339-V350 PolarHBondContact O-N 3.47Å; V350-A367 HydrophobicContact CB-CB 4.34Å; V350-A367 HydrophobicContact CG1-CB 4.2Å; V350-A367 HydrophobicContact CG2-CB 4.03Å; V350-M383 HydrophobicContact CG1-CE 3.55Å; V350-M383 HydrophobicContact CG1-CG 3.94Å; V350-M383 HydrophobicContact CG1-SD 3.38Å; V350-M383 WeakPolarHBondContact CG1-SD 3.32Å; V350-F390 HydrophobicContact CB-CZ 4.12Å; V350-F390 HydrophobicContact CG1-CE2 4.36Å; V350-F390 HydrophobicContact CG1-CZ 3.98Å; V350-F390 VanDerWaalsContact O-CZ 3.23Å; V350-F390 WeakPolarHBondContact O-CZ 3.36Å; V350-L392 HydrophobicContact CB-CD1 4.38Å; V350-L392 HydrophobicContact CB-CD2 3.91Å; V350-L392 HydrophobicContact CG2-CD1 4.19Å; V350-L392 HydrophobicContact CG2-CD2 3.56Å; V350-W425 HydrophobicContact CG1-CH2 4.01Å; V350-W425 HydrophobicContact CG1-CZ2 3.88Å; V350-W425 HydrophobicContact CG2-CH2 4.45Å; V350-W425 HydrophobicContact CG2-CZ2 4.22Å
351	G	97.9	Very high	91.4	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.246	C	C	.	.			trans	61.4	-144	172.1	0	0	0	0	0	113.8	R335 H338 V364 T366	R335-G351 PolarHBondContact NH1-O 2.9Å; H338-G351 WeakPolarHBondContact CB-O 3.27Å; G351-V364 WeakPolarHBondContact CA-O 3.41Å; G351-T366 PolarHBondContact N-O 3.11Å
352	G	96.9	Very high	91.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.252	C	S	.	.			trans	89.3	-164.5	-175.8	0	0	0	0	0	113.2	S336 H337 A363 V364 R387	S336-G352 CarbonylContact O-C 3.54Å; S336-G352 WeakPolarHBondContact O-CA 3.38Å; H337-G352 WeakPolarHBondContact O-CA 3.47Å; G352-A363 CarbonylContact O-C 3.51Å; G352-A363 WeakPolarHBondContact O-CA 3.33Å; G352-V364 WeakPolarHBondContact O-CG2 3.44Å; G352-V364 PolarHBondContact O-N 2.98Å; G352-R387 PolarHBondContact N-O 2.82Å
353	E	94.6	Very high	91	Very high	21 Å²	21	40.8 Å²	40.8	10%	0.098	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.1	-176.9	-77.8	174	166.7	0	0	110.9	R302 R335 S336 H337 T361 C362 E388 H389	R302-E353 IonicContact CZ-OE2 2.67Å; R302-E353 IonicContact NE-OE2 3.3Å; R302-E353 IonicContact NH2-OE2 3.1Å; R302-E353 PolarHBondContact NH2-OE2 3.5Å; R335-E353 VanDerWaalsContact CA-O 3.25Å; R335-E353 WeakPolarHBondContact CA-O 3.44Å; R335-E353 WeakPolarHBondContact CB-O 3.4Å; S336-E353 PolarHBondContact N-O 3.31Å; S336-E353 PolarHBondContact O-N 2.98Å; S336-E353 PolarHBondContact OG-OE2 2.91Å; H337-E353 IonicContact CE1-OE2 3.5Å; H337-E353 IonicContact CG-OE2 3.37Å; H337-E353 IonicContact ND1-OE1 3.56Å; H337-E353 IonicContact ND1-OE2 3.1Å; H337-E353 PolarHBondContact ND1-OE2 2.98Å; E353-T361 HydrophobicContact CB-CG2 3.69Å; E353-T361 HydrophobicContact CG-CG2 4.02Å; E353-C362 WeakPolarHBondContact CA-O 3.49Å; E353-E388 HydrophobicContact CG-CB 4Å; E353-E388 HydrophobicContact CG-CG 4.48Å; E353-E388 WeakPolarHBondContact CG-OE2 3.46Å; E353-E388 VanDerWaalsContact OE1-OE2 3.07Å; E353-H389 IonicContact OE1-NE2 3.78Å
354	V	93.6	Very high	91	Very high	16 Å²	16	40.9 Å²	40.9	10%	0.097	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.6	174	176.6	0	0	0	0	109.4	T333 R335 T361 C362 V364	T333-V354 HydrophobicContact CG2-CB 4.49Å; T333-V354 HydrophobicContact CG2-CG1 3.55Å; T333-V354 HydrophobicContact CG2-CG2 4.04Å; R335-V354 HydrophobicContact CB-CG2 4.09Å; V354-T361 WeakPolarHBondContact O-CA 3.33Å; V354-C362 PolarHBondContact N-O 2.93Å; V354-C362 PolarHBondContact O-N 3.23Å; V354-C362 VanDerWaalsContact O-N 3.1Å; V354-V364 HydrophobicContact CB-CG1 3.77Å; V354-V364 HydrophobicContact CG2-CB 4.41Å; V354-V364 HydrophobicContact CG2-CG1 3.76Å; V354-V364 HydrophobicContact CG2-CG2 3.77Å
355	E	88.6	Confident	91.2	Very high	89 Å²	89	45.8 Å²	45.8	42%	0.416	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	123.4	171.5	-171.1	173.8	168	0	0	110.5	S301	S301-E355 VanDerWaalsContact CB-OE2 3.26Å; S301-E355 WeakPolarHBondContact CB-OE2 3.32Å; S301-E355 PolarHBondContact OG-OE2 3.21Å
356	H	80.1	Confident	91.5	Very high	89 Å²	89	47.3 Å²	47.3	41%	0.412	26%	0.262	S	S	.	.			trans	-80.1	161.9	174.3	-75.8	-96.5	0	0	0	111.5	T358 G359 R360 C362	H356-T358 PolarHBondContact O-N 3.42Å; H356-G359 PolarHBondContact O-N 3.08Å; H356-R360 WeakPolarHBondContact CB-O 3.31Å; H356-R360 PolarHBondContact N-O 3.08Å; H356-C362 VanDerWaalsContact CD2-SG 3.54Å; H356-C362 PolarHBondContact NE2-SG 2.99Å
357	A	77.7	Confident	91.6	Very high	117 Å²	117	47.4 Å²	47.4	97%	0.967	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-19.4	173.8	0	0	0	0	0	114.2	G359	A357-G359 VanDerWaalsContact C-N 3.28Å
358	T	79.4	Confident	91.6	Very high	110 Å²	110	47.5 Å²	47.5	68%	0.675	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	1.1	175	58.6	0	0	0	0	113.9	H356 R360	H356-T358 PolarHBondContact O-N 3.42Å; T358-R360 PolarHBondContact O-N 3.35Å
359	G	77.3	Confident	91.5	Very high	46 Å²	46	47.4 Å²	47.4	47%	0.474	26%	0.263	S	S	.	.	S	Bend	trans	75.1	0.2	-173.4	0	0	0	0	0	114.2	H356 A357	H356-G359 PolarHBondContact O-N 3.08Å; A357-G359 VanDerWaalsContact C-N 3.28Å
360	R	82	Confident	91.5	Very high	195 Å²	195	47.4 Å²	47.4	74%	0.736	26%	0.263	S	S	*	.			trans	-83.3	130.9	176.7	-61.9	-178	84	177.8	5.1	110.1	H356 T358	H356-R360 WeakPolarHBondContact CB-O 3.31Å; H356-R360 PolarHBondContact N-O 3.08Å; T358-R360 PolarHBondContact O-N 3.35Å
361	T	85.9	Confident	91.2	Very high	65 Å²	65	47.6 Å²	47.6	40%	0.399	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.1	168.9	-47.4	0	0	0	0	110.2	E353 V354	E353-T361 HydrophobicContact CB-CG2 3.69Å; E353-T361 HydrophobicContact CG-CG2 4.02Å; V354-T361 WeakPolarHBondContact O-CA 3.33Å
362	C	91.4	Very high	90.8	Very high	33 Å²	33	47.7 Å²	47.7	22%	0.223	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	157.5	169.1	84.7	0	0	0	0	112.4	E353 V354 H356 E407	E353-C362 WeakPolarHBondContact CA-O 3.49Å; V354-C362 PolarHBondContact N-O 2.93Å; V354-C362 PolarHBondContact O-N 3.23Å; V354-C362 VanDerWaalsContact O-N 3.1Å; H356-C362 VanDerWaalsContact CD2-SG 3.54Å; H356-C362 PolarHBondContact NE2-SG 2.99Å; C362-E407 HydrophobicContact CB-CB 4.34Å
363	A	95.8	Very high	90.3	Very high	2 Å²	2	49 Å²	49	2%	0.017	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	139.6	170.4	0	0	0	0	0	110.1	G352 C386 E388	G352-A363 CarbonylContact O-C 3.51Å; G352-A363 WeakPolarHBondContact O-CA 3.33Å; A363-C386 HydrophobicContact CB-CB 4.11Å; A363-C386 WeakPolarHBondContact O-CB 3.24Å; A363-E388 HydrophobicContact CB-CB 4.15Å; A363-E388 HydrophobicContact CB-CG 4.03Å
364	V	96.7	Very high	89.8	Confident	16 Å²	16	49.4 Å²	49.4	10%	0.097	28%	0.28	C	S	.	.			trans	-118.1	160.2	178.6	-61	0	0	0	0	112.2	G351 G352 V354 R387	G351-V364 WeakPolarHBondContact CA-O 3.41Å; G352-V364 WeakPolarHBondContact O-CG2 3.44Å; G352-V364 PolarHBondContact O-N 2.98Å; V354-V364 HydrophobicContact CB-CG1 3.77Å; V354-V364 HydrophobicContact CG2-CB 4.41Å; V354-V364 HydrophobicContact CG2-CG1 3.76Å; V354-V364 HydrophobicContact CG2-CG2 3.77Å; V364-R387 PolarHBondContact O-N 3.37Å; V364-R387 VanDerWaalsContact O-N 3.1Å
365	R	97.3	Very high	89.7	Confident	127 Å²	127	51.1 Å²	51.1	48%	0.479	29%	0.288	S	S	.	.			trans	-100.6	-4.6	172.9	62.7	177.3	-175.8	-179.7	0.9	113.9	P382 M383	R365-P382 HydrophobicContact CB-CB 4.38Å; R365-P382 HydrophobicContact CG-CB 3.89Å; R365-P382 CarbonylContact O-C 3.55Å; R365-P382 VanDerWaalsContact O-CA 3.28Å; R365-P382 WeakPolarHBondContact O-CA 3.43Å; R365-P382 WeakPolarHBondContact O-CB 3.43Å; R365-M383 HydrophobicContact CB-CB 4.16Å; R365-M383 WeakPolarHBondContact CB-O 3.5Å; R365-M383 VanDerWaalsContact CD-O 3.28Å; R365-M383 WeakPolarHBondContact CD-O 3.28Å; R365-M383 PolarHBondContact O-N 3.35Å
366	T	97.6	Very high	90	Very high	63 Å²	63	53.2 Å²	53.2	39%	0.387	29%	0.292	S	S	.	.			trans	-69.6	146.6	-174.1	60.4	0	0	0	0	111.1	R335 G351	R335-T366 PolarHBondContact NH1-O 3.04Å; R335-T366 VanDerWaalsContact NH1-O 3.17Å; R335-T366 PolarHBondContact NH1-OG1 3.29Å; R335-T366 PolarHBondContact NH2-OG1 2.84Å; R335-T366 VanDerWaalsContact NH2-OG1 3.14Å; G351-T366 PolarHBondContact N-O 3.11Å
367	A	97.9	Very high	90.8	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.033	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.3	179.1	0	0	0	0	0	110.3	V349 V350 I380	V349-A367 CarbonylContact O-C 3.41Å; V349-A367 VanDerWaalsContact O-CA 3.23Å; V349-A367 WeakPolarHBondContact O-CA 3.45Å; V350-A367 HydrophobicContact CB-CB 4.34Å; V350-A367 HydrophobicContact CG1-CB 4.2Å; V350-A367 HydrophobicContact CG2-CB 4.03Å; A367-I380 HydrophobicContact CB-CD1 3.81Å; A367-I380 HydrophobicContact CB-CG1 3.56Å; A367-I380 WeakPolarHBondContact O-CG1 3.47Å; A367-I380 PolarHBondContact O-N 3.39Å; A367-I380 VanDerWaalsContact O-N 3.09Å
368	C	97.8	Very high	91.6	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.014	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.5	175.3	57.8	0	0	0	0	110.5	V349 W377 I378	V349-C368 PolarHBondContact N-O 3.13Å; V349-C368 PolarHBondContact O-N 3.07Å; C368-W377 HydrophobicContact CB-CE3 4.01Å; C368-I378 CarbonylContact C-O 3.6Å; C368-I378 VanDerWaalsContact CA-O 3.31Å; C368-I378 WeakPolarHBondContact CA-O 3.31Å
369	R	97.3	Very high	92.5	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132	177.3	-173.5	-169	75.5	179	7.2	108.9	T270 F346 L347 F348 W377 I378 I380	T270-R369 PolarHBondContact O-NH1 2.87Å; T270-R369 PolarHBondContact O-NH2 3.05Å; F346-R369 HydrophobicContact CB-CG 3.85Å; F346-R369 HydrophobicContact CD1-CG 4.32Å; F346-R369 HydrophobicContact CG-CG 4.39Å; L347-R369 CarbonylContact O-C 3.51Å; L347-R369 VanDerWaalsContact O-CA 3.25Å; L347-R369 WeakPolarHBondContact O-CA 3.42Å; F348-R369 HydrophobicContact CD1-CB 4.06Å; F348-R369 HydrophobicContact CD1-CG 4.06Å; F348-R369 HydrophobicContact CD2-CG 4.35Å; F348-R369 HydrophobicContact CE1-CB 3.98Å; F348-R369 HydrophobicContact CE1-CG 3.78Å; F348-R369 HydrophobicContact CE2-CG 4.05Å; F348-R369 HydrophobicContact CG-CG 4.36Å; F348-R369 HydrophobicContact CZ-CB 4.48Å; F348-R369 VanDerWaalsContact CZ-CD 3.48Å; F348-R369 HydrophobicContact CZ-CG 3.79Å; R369-W377 CarbonylContact O-C 3.07Å; R369-W377 WeakPolarHBondContact O-CA 3.19Å; R369-I378 PolarHBondContact N-O 3.01Å; R369-I378 PolarHBondContact O-N 2.9Å; R369-I380 HydrophobicContact CB-CG2 4.12Å
370	Y	97.2	Very high	93.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131	170.7	174.1	-102.3	0	0	0	110.3	Y291 L306 L328 L347 P372 N375 R376 W377	Y291-Y370 HydrophobicContact CE1-CE1 4.25Å; L306-Y370 HydrophobicContact CD2-CD1 3.73Å; L306-Y370 HydrophobicContact CD2-CD2 3.84Å; L306-Y370 HydrophobicContact CD2-CE1 3.61Å; L306-Y370 HydrophobicContact CD2-CE2 3.72Å; L306-Y370 HydrophobicContact CD2-CG 3.84Å; L328-Y370 HydrophobicContact CD1-CE1 4.46Å; L347-Y370 HydrophobicContact CB-CD1 4.34Å; L347-Y370 PolarHBondContact N-O 3.42Å; L347-Y370 PolarHBondContact O-N 3.08Å; Y370-P372 HydrophobicContact CE1-CB 3.92Å; Y370-N375 WeakPolarHBondContact CE2-OD1 3.3Å; Y370-N375 WeakPolarHBondContact OH-CA 2.96Å; Y370-N375 PolarHBondContact OH-OD1 2.92Å; Y370-R376 WeakPolarHBondContact CA-O 3.35Å; Y370-W377 VanDerWaalsContact CB-CZ3 3.46Å; Y370-W377 AromaticContact CD2-CD1 3.97Å; Y370-W377 AromaticContact CD2-CD2 3.98Å; Y370-W377 HydrophobicContact CD2-CD2 3.98Å; Y370-W377 AromaticContact CD2-CE2 3.58Å; Y370-W377 HydrophobicContact CD2-CG 4.22Å; Y370-W377 AromaticContact CD2-CZ2 3.97Å; Y370-W377 HydrophobicContact CD2-CZ2 3.97Å; Y370-W377 AromaticContact CD2-NE1 3.56Å; Y370-W377 HydrophobicContact CG-CD2 4.35Å; Y370-W377 HydrophobicContact CG-CH2 4.3Å; Y370-W377 HydrophobicContact CG-CZ2 4.02Å
371	D	93.1	Very high	94.3	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	107.3	173.2	-175.3	-12.3	0	0	0	108.7	F346 R373 G374 N375 R376	F346-D371 HydrophobicContact CD1-CB 4.1Å; F346-D371 HydrophobicContact CE1-CB 3.93Å; D371-R373 PolarHBondContact O-N 2.82Å; D371-R373 VanDerWaalsContact O-N 3.12Å; D371-R373 WeakPolarHBondContact OD1-CB 3.41Å; D371-R373 WeakPolarHBondContact OD1-CG 3.31Å; D371-R373 IonicContact OD1-CZ 3.56Å; D371-R373 PolarHBondContact OD1-N 3.5Å; D371-R373 IonicContact OD1-NE 3.95Å; D371-R373 PolarHBondContact OD1-NE 3.2Å; D371-R373 IonicContact OD1-NH2 2.68Å; D371-R373 IonicContact OD2-CZ 3.51Å; D371-R373 IonicContact OD2-NE 3.19Å; D371-R373 PolarHBondContact OD2-NE 3.26Å; D371-R373 IonicContact OD2-NH2 3.39Å; D371-R373 PolarHBondContact OD2-NH2 3.29Å; D371-G374 PolarHBondContact O-N 2.81Å; D371-N375 PolarHBondContact O-N 3.05Å; D371-R376 HydrophobicContact CB-CG 4.07Å; D371-R376 PolarHBondContact N-O 3Å; D371-R376 PolarHBondContact O-N 3.47Å
372	P	89.9	Confident	94.9	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.013	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.1	-179.6	27.9	-34.6	0	0	0	112.7	D345 Y370 P599 T602	D345-P372 WeakPolarHBondContact O-CD 3.38Å; D345-P372 VanDerWaalsContact O-CG 3.27Å; D345-P372 WeakPolarHBondContact O-CG 3.35Å; Y370-P372 HydrophobicContact CE1-CB 3.92Å; P372-P599 HydrophobicContact CB-CG 4.1Å; P372-P599 WeakPolarHBondContact O-CG 3.33Å; P372-T602 WeakPolarHBondContact O-CG2 3.24Å; P372-T602 PolarHBondContact O-OG1 2.98Å; P372-T602 VanDerWaalsContact O-OG1 3.05Å
373	R	84.6	Confident	95.2	Very high	28 Å²	28	37.2 Å²	37.2	11%	0.106	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-34.6	-179.9	-59.8	166.5	-60.9	158.6	14.7	113.1	G233 L234 Y266 P283 D371 F601	G233-R373 PolarHBondContact O-NH1 3.3Å; L234-R373 HydrophobicContact CD2-CG 3.88Å; Y266-R373 PolarHBondContact OH-NH1 3.18Å; P283-R373 HydrophobicContact CB-CG 4.5Å; P283-R373 HydrophobicContact CG-CG 3.62Å; D371-R373 PolarHBondContact O-N 2.82Å; D371-R373 VanDerWaalsContact O-N 3.12Å; D371-R373 WeakPolarHBondContact OD1-CB 3.41Å; D371-R373 WeakPolarHBondContact OD1-CG 3.31Å; D371-R373 IonicContact OD1-CZ 3.56Å; D371-R373 PolarHBondContact OD1-N 3.5Å; D371-R373 IonicContact OD1-NE 3.95Å; D371-R373 PolarHBondContact OD1-NE 3.2Å; D371-R373 IonicContact OD1-NH2 2.68Å; D371-R373 IonicContact OD2-CZ 3.51Å; D371-R373 IonicContact OD2-NE 3.19Å; D371-R373 PolarHBondContact OD2-NE 3.26Å; D371-R373 IonicContact OD2-NH2 3.39Å; D371-R373 PolarHBondContact OD2-NH2 3.29Å; R373-F601 HydrophobicContact CB-CE2 4.47Å; R373-F601 WeakPolarHBondContact O-CE2 3.35Å
374	G	85.4	Confident	95.3	Very high	30 Å²	30	42.2 Å²	42.2	31%	0.309	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	3.5	-178.9	0	0	0	0	0	113.3	D371 R376	D371-G374 PolarHBondContact O-N 2.81Å; G374-R376 PolarHBondContact O-N 2.89Å
375	N	91.9	Very high	95.3	Very high	52 Å²	52	42.4 Å²	42.4	28%	0.278	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.2	51.1	-168	-170.7	16.1	0	0	0	111.3	A329 Y370 D371 T602	A329-N375 WeakPolarHBondContact CB-O 3.18Å; A329-N375 WeakPolarHBondContact CB-OD1 3.49Å; A329-N375 PolarHBondContact N-OD1 3.08Å; Y370-N375 WeakPolarHBondContact CE2-OD1 3.3Å; Y370-N375 WeakPolarHBondContact OH-CA 2.96Å; Y370-N375 PolarHBondContact OH-OD1 2.92Å; D371-N375 PolarHBondContact O-N 3.05Å; N375-T602 HydrophobicContact CB-CG2 3.78Å
376	R	93.1	Very high	95.2	Very high	132 Å²	132	37.3 Å²	37.3	50%	0.498	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	147.3	-169	61.3	-179	149	-162.7	-14.5	113.1	Y370 D371 G374	Y370-R376 WeakPolarHBondContact CA-O 3.35Å; D371-R376 HydrophobicContact CB-CG 4.07Å; D371-R376 PolarHBondContact N-O 3Å; D371-R376 PolarHBondContact O-N 3.47Å; G374-R376 PolarHBondContact O-N 2.89Å
377	W	97	Very high	95.2	Very high	38 Å²	38	34.3 Å²	34.3	14%	0.144	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	142.7	174.7	-67.3	90.7	0	0	0	111	L306 A329 P330 M331 P332 L347 V349 C368 R369 Y370	L306-W377 HydrophobicContact CB-CZ2 4.22Å; L306-W377 HydrophobicContact CD1-CZ2 4.42Å; L306-W377 HydrophobicContact CD2-CZ2 3.83Å; L306-W377 HydrophobicContact CG-CZ2 4.38Å; A329-W377 PolarHBondContact O-NE1 2.86Å; P330-W377 VanDerWaalsContact O-CD1 3.29Å; P330-W377 PolarHBondContact O-NE1 3.02Å; M331-W377 HydrophobicContact CB-CZ2 4.4Å; M331-W377 HydrophobicContact CG-CD2 4.39Å; M331-W377 HydrophobicContact CG-CH2 3.58Å; M331-W377 HydrophobicContact CG-CZ2 3.35Å; M331-W377 HydrophobicContact CG-CZ3 4.17Å; M331-W377 HydrophobicContact SD-CH2 4.24Å; P332-W377 HydrophobicContact CG-CB 3.99Å; P332-W377 HydrophobicContact CG-CG 4.47Å; L347-W377 HydrophobicContact CD2-CH2 4.08Å; V349-W377 HydrophobicContact CB-CZ3 4.09Å; V349-W377 HydrophobicContact CG2-CH2 3.56Å; V349-W377 HydrophobicContact CG2-CZ3 3.57Å; C368-W377 HydrophobicContact CB-CE3 4.01Å; R369-W377 CarbonylContact O-C 3.07Å; R369-W377 WeakPolarHBondContact O-CA 3.19Å; Y370-W377 VanDerWaalsContact CB-CZ3 3.46Å; Y370-W377 AromaticContact CD2-CD1 3.97Å; Y370-W377 AromaticContact CD2-CD2 3.98Å; Y370-W377 HydrophobicContact CD2-CD2 3.98Å; Y370-W377 AromaticContact CD2-CE2 3.58Å; Y370-W377 HydrophobicContact CD2-CG 4.22Å; Y370-W377 AromaticContact CD2-CZ2 3.97Å; Y370-W377 HydrophobicContact CD2-CZ2 3.97Å; Y370-W377 AromaticContact CD2-NE1 3.56Å; Y370-W377 HydrophobicContact CG-CD2 4.35Å; Y370-W377 HydrophobicContact CG-CH2 4.3Å; Y370-W377 HydrophobicContact CG-CZ2 4.02Å
378	I	96.3	Very high	95.2	Very high	41 Å²	41	34.5 Å²	34.5	21%	0.21	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.2	174	-61.2	171.7	0	0	0	107.5	T270 F271 C368 R369	T270-I378 HydrophobicContact CG2-CD1 3.8Å; F271-I378 HydrophobicContact CE1-CG2 4.02Å; C368-I378 CarbonylContact C-O 3.6Å; C368-I378 VanDerWaalsContact CA-O 3.31Å; C368-I378 WeakPolarHBondContact CA-O 3.31Å; R369-I378 PolarHBondContact N-O 3.01Å; R369-I378 PolarHBondContact O-N 2.9Å
379	E	97.4	Very high	95.2	Very high	144 Å²	144	35.4 Å²	35.4	67%	0.673	18%	0.181	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	136.1	171.2	-66.4	-169.3	164.9	0	0	110.2
380	I	97.9	Very high	95.2	Very high	11 Å²	11	35.8 Å²	35.8	6%	0.056	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	170.1	174	63.6	165.3	0	0	0	109.2	F271 F348 A367 R369 Y418	F271-I380 HydrophobicContact CD1-CG2 4.14Å; F271-I380 HydrophobicContact CE1-CG2 4.31Å; F348-I380 HydrophobicContact CD1-CD1 3.79Å; F348-I380 HydrophobicContact CE1-CD1 4.03Å; A367-I380 HydrophobicContact CB-CD1 3.81Å; A367-I380 HydrophobicContact CB-CG1 3.56Å; A367-I380 WeakPolarHBondContact O-CG1 3.47Å; A367-I380 PolarHBondContact O-N 3.39Å; A367-I380 VanDerWaalsContact O-N 3.09Å; R369-I380 HydrophobicContact CB-CG2 4.12Å; I380-Y418 HydrophobicContact CD1-CD1 4.46Å; I380-Y418 HydrophobicContact CD1-CE1 3.97Å; I380-Y418 HydrophobicContact CD1-CE2 4.13Å
381	A	98.3	Very high	95.2	Very high	20 Å²	20	36.2 Å²	36.2	17%	0.165	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-55	135.8	-179.6	0	0	0	0	0	110.9	Y418 N423 W425	A381-Y418 HydrophobicContact CB-CE2 4.5Å; A381-N423 WeakPolarHBondContact CB-O 3.45Å; A381-N423 WeakPolarHBondContact CB-OD1 3.26Å; A381-N423 PolarHBondContact N-OD1 3.12Å; A381-W425 PolarHBondContact O-NE1 2.73Å
382	P	98.3	Very high	95.5	Very high	64 Å²	64	37 Å²	37	42%	0.416	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-69.8	152.3	177.8	29.2	-34.3	0	0	0	110.8	R365 W425	R365-P382 HydrophobicContact CB-CB 4.38Å; R365-P382 HydrophobicContact CG-CB 3.89Å; R365-P382 CarbonylContact O-C 3.55Å; R365-P382 VanDerWaalsContact O-CA 3.28Å; R365-P382 WeakPolarHBondContact O-CA 3.43Å; R365-P382 WeakPolarHBondContact O-CB 3.43Å; P382-W425 VanDerWaalsContact C-CD1 3.41Å
383	M	98.4	Very high	95.8	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-57.6	161.8	166.7	-67.4	-177.2	-64.4	0	0	110.6	V350 R365 A385 R387 F390 A401 W425	V350-M383 HydrophobicContact CG1-CE 3.55Å; V350-M383 HydrophobicContact CG1-CG 3.94Å; V350-M383 HydrophobicContact CG1-SD 3.38Å; V350-M383 WeakPolarHBondContact CG1-SD 3.32Å; R365-M383 HydrophobicContact CB-CB 4.16Å; R365-M383 WeakPolarHBondContact CB-O 3.5Å; R365-M383 VanDerWaalsContact CD-O 3.28Å; R365-M383 WeakPolarHBondContact CD-O 3.28Å; R365-M383 PolarHBondContact O-N 3.35Å; M383-A385 WeakPolarHBondContact CB-O 3.33Å; M383-R387 HydrophobicContact CE-CB 3.92Å; M383-R387 HydrophobicContact CE-CG 4.03Å; M383-R387 HydrophobicContact SD-CG 4.3Å; M383-F390 HydrophobicContact CE-CZ 4.39Å; M383-A401 HydrophobicContact SD-CB 3.81Å; M383-W425 HydrophobicContact CB-CD2 4.45Å; M383-W425 HydrophobicContact CG-CD2 3.73Å; M383-W425 HydrophobicContact CG-CE3 4.01Å; M383-W425 HydrophobicContact CG-CG 4.29Å; M383-W425 HydrophobicContact CG-CH2 4.01Å; M383-W425 HydrophobicContact CG-CZ2 3.74Å; M383-W425 HydrophobicContact CG-CZ3 4.14Å; M383-W425 HydrophobicContact SD-CH2 4.3Å; M383-W425 HydrophobicContact SD-CZ2 4.49Å; M383-W425 HydrophobicContact SD-CZ3 4.48Å
384	K	97.6	Very high	96.5	Very high	106 Å²	106	37 Å²	37	46%	0.461	20%	0.196	S	C	.	.	S	Bend	trans	-74.4	-42.8	173.8	-62.9	-171.9	171.1	-162.2	0	111.4	E416 W425 F427	K384-E416 WeakPolarHBondContact CA-OE2 3.38Å; K384-E416 VanDerWaalsContact CB-OE2 3.27Å; K384-E416 WeakPolarHBondContact CB-OE2 3.49Å; K384-E416 PolarHBondContact N-OE2 2.91Å; K384-W425 VanDerWaalsContact CE-O 3.26Å; K384-W425 WeakPolarHBondContact CE-O 3.37Å; K384-F427 HydrophobicContact CB-CE1 4.24Å; K384-F427 HydrophobicContact CB-CE2 3.96Å; K384-F427 HydrophobicContact CB-CZ 3.56Å; K384-F427 HydrophobicContact CD-CD2 3.68Å; K384-F427 HydrophobicContact CD-CE2 3.32Å; K384-F427 HydrophobicContact CD-CG 4.41Å; K384-F427 HydrophobicContact CD-CZ 3.8Å; K384-F427 HydrophobicContact CG-CE2 4.29Å; K384-F427 HydrophobicContact CG-CZ 4.31Å
385	A	96.6	Very high	96.9	Very high	20 Å²	20	35.9 Å²	35.9	17%	0.165	18%	0.183	C	C	.	.	S	Bend	trans	-101.2	148.1	174.1	0	0	0	0	0	111.6	M383 L412 E416	M383-A385 WeakPolarHBondContact CB-O 3.33Å; A385-L412 HydrophobicContact CB-CD1 4.05Å; A385-E416 WeakPolarHBondContact CB-OE1 3.27Å; A385-E416 PolarHBondContact N-OE1 2.78Å; A385-E416 VanDerWaalsContact N-OE1 3.1Å
386	C	96.9	Very high	97	Very high	20 Å²	20	36.5 Å²	36.5	14%	0.135	20%	0.202	C	C	.	.			trans	-73.9	141.8	166.3	-51.5	0	0	0	0	109.6	A363 N406 E407	A363-C386 HydrophobicContact CB-CB 4.11Å; A363-C386 WeakPolarHBondContact O-CB 3.24Å; C386-N406 WeakPolarHBondContact O-CA 3.29Å; C386-E407 WeakPolarHBondContact CB-OE2 3.42Å; C386-E407 PolarHBondContact SG-OE2 3.11Å
387	R	97.4	Very high	97.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.198	C	C	.	.			trans	-143.5	133.4	-175.8	-57.1	-179.7	-175.8	-97.2	-2.9	111.7	G352 V364 M383 F390 G403 R405 L412 S414 E416	G352-R387 PolarHBondContact N-O 2.82Å; V364-R387 PolarHBondContact O-N 3.37Å; V364-R387 VanDerWaalsContact O-N 3.1Å; M383-R387 HydrophobicContact CE-CB 3.92Å; M383-R387 HydrophobicContact CE-CG 4.03Å; M383-R387 HydrophobicContact SD-CG 4.3Å; R387-F390 HydrophobicContact CB-CB 4.27Å; R387-F390 HydrophobicContact CB-CD1 3.53Å; R387-F390 HydrophobicContact CB-CD2 4.45Å; R387-F390 HydrophobicContact CB-CE1 3.89Å; R387-F390 HydrophobicContact CB-CG 3.86Å; R387-F390 HydrophobicContact CB-CZ 4.48Å; R387-G403 PolarHBondContact NH1-O 3.14Å; R387-R405 CarbonylContact C-O 3.55Å; R387-R405 VanDerWaalsContact CA-O 3.26Å; R387-R405 WeakPolarHBondContact CA-O 3.4Å; R387-L412 HydrophobicContact CG-CD1 4.11Å; R387-S414 PolarHBondContact NH1-O 2.77Å; R387-S414 PolarHBondContact NH2-O 3.45Å; R387-S414 PolarHBondContact NH2-OG 2.79Å; R387-E416 IonicContact CZ-OE1 3.4Å; R387-E416 IonicContact NE-OE1 3.25Å; R387-E416 PolarHBondContact NE-OE1 3.2Å; R387-E416 IonicContact NH2-OE1 2.81Å; R387-E416 PolarHBondContact NH2-OE1 3.41Å
388	E	96.9	Very high	97.2	Very high	9 Å²	9	36.1 Å²	36.1	4%	0.042	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-129.1	158.5	161.4	66	-174.1	-154.4	0	0	109.3	E353 A363 F390 G404 R405	E353-E388 HydrophobicContact CG-CB 4Å; E353-E388 HydrophobicContact CG-CG 4.48Å; E353-E388 WeakPolarHBondContact CG-OE2 3.46Å; E353-E388 VanDerWaalsContact OE1-OE2 3.07Å; A363-E388 HydrophobicContact CB-CB 4.15Å; A363-E388 HydrophobicContact CB-CG 4.03Å; E388-F390 PolarHBondContact O-N 2.91Å; E388-G404 CarbonylContact O-C 3.53Å; E388-G404 WeakPolarHBondContact O-CA 3.38Å; E388-R405 HydrophobicContact CG-CB 3.94Å; E388-R405 PolarHBondContact N-O 3.33Å; E388-R405 PolarHBondContact O-N 3.39Å; E388-R405 IonicContact OE1-CZ 3.89Å; E388-R405 IonicContact OE1-NE 3.54Å; E388-R405 PolarHBondContact OE1-NE 2.86Å; E388-R405 IonicContact OE1-NH2 3.99Å; E388-R405 PolarHBondContact OE1-NH2 3.35Å
389	H	96.9	Very high	97.3	Very high	21 Å²	21	34.1 Å²	34.1	10%	0.097	20%	0.195	C	C	.	.	S	Bend	trans	50.5	44	179.7	-49.8	-68.7	0	0	0	113.7	H337 E353 R405 C437 Y485	H337-H389 AromaticContact CD2-CE1 3.28Å; H337-H389 PolarHBondContact CD2-CE1 3.13Å; H337-H389 AromaticContact CD2-ND1 3.51Å; H337-H389 AromaticContact CE1-CE1 3.83Å; H337-H389 AromaticContact CG-CE1 3.34Å; H337-H389 AromaticContact CG-ND1 3.67Å; H337-H389 AromaticContact ND1-CE1 3.7Å; H337-H389 AromaticContact NE2-CE1 3.61Å; H337-H389 PolarHBondContact O-N 2.95Å; E353-H389 IonicContact OE1-NE2 3.78Å; H389-R405 PolarHBondContact CD2-NH2 3.36Å; H389-R405 PolarHBondContact NE2-NH2 3.35Å; H389-C437 HydrophobicContact CB-CB 4.48Å; H389-C437 PolarHBondContact O-N 3.07Å; H389-Y485 AromaticContact CE1-CE1 3.64Å; H389-Y485 AromaticContact ND1-CE1 3.66Å
390	F	98.1	Very high	97.3	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.039	16%	0.163	C	C	.	.			trans	-108.8	-178.3	179.1	69.9	-80	0	0	0	109.7	C339 V350 M383 R387 E388 L392 A401 V402 G403	C339-F390 HydrophobicContact CB-CD2 4.5Å; C339-F390 HydrophobicContact CB-CE1 4.22Å; C339-F390 HydrophobicContact CB-CE2 3.91Å; C339-F390 HydrophobicContact CB-CZ 3.75Å; C339-F390 PolarHBondContact SG-O 3.06Å; V350-F390 HydrophobicContact CB-CZ 4.12Å; V350-F390 HydrophobicContact CG1-CE2 4.36Å; V350-F390 HydrophobicContact CG1-CZ 3.98Å; V350-F390 VanDerWaalsContact O-CZ 3.23Å; V350-F390 WeakPolarHBondContact O-CZ 3.36Å; M383-F390 HydrophobicContact CE-CZ 4.39Å; R387-F390 HydrophobicContact CB-CB 4.27Å; R387-F390 HydrophobicContact CB-CD1 3.53Å; R387-F390 HydrophobicContact CB-CD2 4.45Å; R387-F390 HydrophobicContact CB-CE1 3.89Å; R387-F390 HydrophobicContact CB-CG 3.86Å; R387-F390 HydrophobicContact CB-CZ 4.48Å; E388-F390 PolarHBondContact O-N 2.91Å; F390-L392 HydrophobicContact CE2-CB 4.05Å; F390-L392 HydrophobicContact CE2-CD1 4.32Å; F390-A401 HydrophobicContact CD2-CB 3.98Å; F390-A401 HydrophobicContact CE2-CB 3.82Å; F390-V402 WeakPolarHBondContact CB-O 3.32Å; F390-G403 WeakPolarHBondContact CB-O 3.37Å
391	V	97.9	Very high	97.4	Very high	9 Å²	9	27 Å²	27	6%	0.055	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.1	170	163.8	0	0	0	0	109.8	A401 V402 H438 G440 L447	V391-A401 CarbonylContact O-C 3.54Å; V391-A401 WeakPolarHBondContact O-CA 2.96Å; V391-V402 HydrophobicContact CB-CB 4.41Å; V391-V402 PolarHBondContact N-O 3.09Å; V391-V402 PolarHBondContact O-N 3.44Å; V391-H438 WeakPolarHBondContact CG2-CD2 3.04Å; V391-G440 VanDerWaalsContact CG2-N 3.34Å; V391-L447 HydrophobicContact CG1-CD1 4.05Å
392	L	98.4	Very high	97.3	Very high	18 Å²	18	26 Å²	26	9%	0.094	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.1	170.5	-172	73.7	0	0	0	109.3	C339 A341 V350 F390 L399 Y400 A401 W425	C339-L392 HydrophobicContact CB-CB 3.38Å; C339-L392 HydrophobicContact CB-CD2 4.27Å; C339-L392 HydrophobicContact CB-CG 4.47Å; A341-L392 HydrophobicContact CB-CD2 3.63Å; A341-L392 HydrophobicContact CB-CG 3.89Å; V350-L392 HydrophobicContact CB-CD1 4.38Å; V350-L392 HydrophobicContact CB-CD2 3.91Å; V350-L392 HydrophobicContact CG2-CD1 4.19Å; V350-L392 HydrophobicContact CG2-CD2 3.56Å; F390-L392 HydrophobicContact CE2-CB 4.05Å; F390-L392 HydrophobicContact CE2-CD1 4.32Å; L392-L399 HydrophobicContact CD1-CB 4.16Å; L392-Y400 CarbonylContact C-O 3.51Å; L392-Y400 VanDerWaalsContact CA-O 3.28Å; L392-Y400 WeakPolarHBondContact CA-O 3.31Å; L392-A401 HydrophobicContact CD1-CB 4.13Å; L392-W425 HydrophobicContact CD1-CH2 4.07Å
393	G	97.6	Very high	97.3	Very high	4 Å²	4	23 Å²	23	4%	0.041	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.3	174.5	0	0	0	0	0	111.8	L399 Y400	G393-L399 CarbonylContact O-C 3.5Å; G393-L399 WeakPolarHBondContact O-CA 3.39Å; G393-Y400 PolarHBondContact N-O 2.98Å; G393-Y400 PolarHBondContact O-N 3.31Å
394	A	97.6	Very high	97.2	Very high	28 Å²	28	22.9 Å²	22.9	23%	0.231	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119	167	0	0	0	0	0	109.1	A341 V342 M343 L399	A341-A394 HydrophobicContact CB-CB 4.26Å; V342-A394 VanDerWaalsContact O-CB 3.32Å; V342-A394 WeakPolarHBondContact O-CB 3.38Å; M343-A394 HydrophobicContact CB-CB 4.34Å; M343-A394 HydrophobicContact CE-CB 4.19Å; A394-L399 HydrophobicContact CB-CD2 3.68Å
395	L	95.6	Very high	97.2	Very high	5 Å²	5	20.4 Å²	20.4	3%	0.026	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	118.8	-177.7	-85	175.9	0	0	0	110.1	Q397 Y398 Y400 V442 D445 L447 P468	L395-Q397 PolarHBondContact O-N 3.32Å; L395-Q397 VanDerWaalsContact O-N 3.13Å; L395-Y398 PolarHBondContact N-O 3.46Å; L395-Y398 PolarHBondContact O-N 3.39Å; L395-Y400 HydrophobicContact CB-CD2 3.81Å; L395-Y400 HydrophobicContact CB-CE2 3.65Å; L395-Y400 HydrophobicContact CD1-CD2 4.07Å; L395-Y400 HydrophobicContact CD1-CE2 4.23Å; L395-Y400 HydrophobicContact CG-CD2 4.43Å; L395-V442 HydrophobicContact CD2-CB 4.34Å; L395-V442 HydrophobicContact CD2-CG1 3.39Å; L395-V442 HydrophobicContact CD2-CG2 4.06Å; L395-V442 HydrophobicContact CG-CG1 4.1Å; L395-V442 HydrophobicContact CG-CG2 3.84Å; L395-D445 VanDerWaalsContact CD2-O 3.28Å; L395-D445 WeakPolarHBondContact CD2-O 3.47Å; L395-L447 HydrophobicContact CD1-CB 3.62Å; L395-P468 HydrophobicContact CD1-CG 4.23Å
396	G	93.3	Very high	97.1	Very high	66 Å²	66	20.2 Å²	20.2	68%	0.68	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	-118.4	-172.3	0	0	0	0	0	111.2
397	Q	95.4	Very high	96.9	Very high	91 Å²	91	23.8 Å²	23.8	43%	0.425	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	12.1	-177.7	-60.4	-177.7	42	0	0	114.4	L275 L395 P420	L275-Q397 HydrophobicContact CD1-CB 4.28Å; L275-Q397 HydrophobicContact CD2-CB 3.75Å; L275-Q397 HydrophobicContact CD2-CG 4.08Å; L395-Q397 PolarHBondContact O-N 3.32Å; L395-Q397 VanDerWaalsContact O-N 3.13Å; Q397-P420 WeakPolarHBondContact O-CD 3.49Å
398	Y	98	Very high	96.6	Very high	70 Å²	70	29.4 Å²	29.4	28%	0.275	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	157.1	-170.7	-55.8	-85.6	0	0	0	113.2	M343 L395 R417 Y418 C419	M343-Y398 VanDerWaalsContact CE-C 3.42Å; M343-Y398 VanDerWaalsContact CE-O 3.24Å; M343-Y398 WeakPolarHBondContact CE-O 3.31Å; L395-Y398 PolarHBondContact N-O 3.46Å; L395-Y398 PolarHBondContact O-N 3.39Å; Y398-R417 VanDerWaalsContact CB-CG 3.49Å; Y398-R417 HydrophobicContact CD1-CG 3.79Å; Y398-R417 HydrophobicContact CG-CG 3.78Å; Y398-Y418 WeakPolarHBondContact CA-O 3.34Å; Y398-Y418 WeakPolarHBondContact CB-O 3.35Å; Y398-Y418 WeakPolarHBondContact CD1-O 3.44Å; Y398-C419 HydrophobicContact CD1-CB 3.98Å; Y398-C419 HydrophobicContact CE1-CB 3.79Å
399	L	98.5	Very high	96.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.8	165.9	-51.1	174.8	0	0	0	109.4	A341 M343 F348 L392 G393 A394 R417 Y418 W425	A341-L399 HydrophobicContact CB-CD2 3.93Å; M343-L399 HydrophobicContact CB-CD2 4.43Å; M343-L399 HydrophobicContact CE-CD2 3.62Å; M343-L399 HydrophobicContact CE-CG 4.15Å; F348-L399 HydrophobicContact CB-CD1 3.88Å; F348-L399 HydrophobicContact CD1-CD1 3.57Å; F348-L399 HydrophobicContact CD2-CD1 4.18Å; F348-L399 HydrophobicContact CE1-CD1 4.09Å; F348-L399 HydrophobicContact CG-CD1 3.6Å; L392-L399 HydrophobicContact CD1-CB 4.16Å; G393-L399 CarbonylContact O-C 3.5Å; G393-L399 WeakPolarHBondContact O-CA 3.39Å; A394-L399 HydrophobicContact CB-CD2 3.68Å; L399-R417 CarbonylContact O-C 3.55Å; L399-R417 WeakPolarHBondContact O-CA 3.41Å; L399-Y418 HydrophobicContact CD1-CD1 3.88Å; L399-Y418 HydrophobicContact CG-CD1 4.16Å; L399-Y418 PolarHBondContact N-O 3.44Å; L399-Y418 PolarHBondContact O-N 3.43Å; L399-W425 HydrophobicContact CB-CH2 4.38Å
400	Y	98.5	Very high	96.1	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.1	179	-69.3	-98.1	0	0	0	110.1	L392 G393 L395 V415 E416 R417 V428 Y466 P468	L392-Y400 CarbonylContact C-O 3.51Å; L392-Y400 VanDerWaalsContact CA-O 3.28Å; L392-Y400 WeakPolarHBondContact CA-O 3.31Å; G393-Y400 PolarHBondContact N-O 2.98Å; G393-Y400 PolarHBondContact O-N 3.31Å; L395-Y400 HydrophobicContact CB-CD2 3.81Å; L395-Y400 HydrophobicContact CB-CE2 3.65Å; L395-Y400 HydrophobicContact CD1-CD2 4.07Å; L395-Y400 HydrophobicContact CD1-CE2 4.23Å; L395-Y400 HydrophobicContact CG-CD2 4.43Å; Y400-V415 HydrophobicContact CD1-CG1 4.48Å; Y400-E416 CarbonylContact C-O 3.53Å; Y400-E416 VanDerWaalsContact CA-O 3.3Å; Y400-E416 WeakPolarHBondContact CA-O 3.34Å; Y400-R417 HydrophobicContact CD1-CB 4.05Å; Y400-R417 HydrophobicContact CD1-CG 4.09Å; Y400-R417 HydrophobicContact CD2-CG 4.49Å; Y400-R417 HydrophobicContact CE1-CB 3.91Å; Y400-R417 VanDerWaalsContact CE1-CD 3.41Å; Y400-R417 HydrophobicContact CE1-CG 3.69Å; Y400-R417 HydrophobicContact CE2-CG 4.14Å; Y400-R417 HydrophobicContact CG-CG 4.48Å; Y400-R417 WeakPolarHBondContact OH-CD 3.4Å; Y400-R417 PolarHBondContact OH-NH1 2.77Å; Y400-V428 HydrophobicContact CD1-CG2 4.28Å; Y400-V428 HydrophobicContact CE1-CG2 4.33Å; Y400-Y466 AromaticContact CD1-CE1 3.81Å; Y400-Y466 HydrophobicContact CD1-CE1 3.81Å; Y400-Y466 AromaticContact CE1-CE1 3.52Å; Y400-Y466 HydrophobicContact CE1-CE1 3.52Å; Y400-P468 HydrophobicContact CE2-CB 4.39Å; Y400-P468 WeakPolarHBondContact OH-CB 3.35Å
401	A	98.3	Very high	96.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.5	175.4	0	0	0	0	0	109.7	M383 F390 V391 L392 V415 E416 W425	M383-A401 HydrophobicContact SD-CB 3.81Å; F390-A401 HydrophobicContact CD2-CB 3.98Å; F390-A401 HydrophobicContact CE2-CB 3.82Å; V391-A401 CarbonylContact O-C 3.54Å; V391-A401 WeakPolarHBondContact O-CA 2.96Å; L392-A401 HydrophobicContact CD1-CB 4.13Å; A401-V415 WeakPolarHBondContact O-CA 3.41Å; A401-E416 PolarHBondContact N-O 3.18Å; A401-E416 PolarHBondContact O-N 2.94Å; A401-W425 HydrophobicContact CB-CH2 4.2Å; A401-W425 HydrophobicContact CB-CZ3 3.83Å
402	V	97.8	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.2	-170.4	178.6	0	0	0	0	111.1	F390 V391 V415 F431 H438 L447 V449 W473	F390-V402 WeakPolarHBondContact CB-O 3.32Å; V391-V402 HydrophobicContact CB-CB 4.41Å; V391-V402 PolarHBondContact N-O 3.09Å; V391-V402 PolarHBondContact O-N 3.44Å; V402-V415 HydrophobicContact CG1-CG2 4.2Å; V402-V415 HydrophobicContact CG2-CG1 3.85Å; V402-V415 HydrophobicContact CG2-CG2 4.25Å; V402-F431 HydrophobicContact CG1-CD2 3.7Å; V402-F431 HydrophobicContact CG1-CE2 3.59Å; V402-H438 PolarHBondContact O-CE1 2.95Å; V402-H438 VanDerWaalsContact O-CE1 3.31Å; V402-H438 PolarHBondContact O-NE2 3.42Å; V402-L447 HydrophobicContact CG2-CD2 3.39Å; V402-V449 HydrophobicContact CG1-CG2 4.22Å; V402-W473 HydrophobicContact CG1-CH2 3.97Å; V402-W473 HydrophobicContact CG1-CZ2 4.03Å; V402-W473 HydrophobicContact CG2-CH2 4.06Å; V402-W473 HydrophobicContact CG2-CZ2 4.08Å
403	G	97.3	Very high	95.9	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.01	23%	0.229	C	C	.	.			trans	60.2	-141.4	172.4	0	0	0	0	0	114.3	R387 F390 L412 S414	R387-G403 PolarHBondContact NH1-O 3.14Å; F390-G403 WeakPolarHBondContact CB-O 3.37Å; G403-L412 VanDerWaalsContact CA-O 3.32Å; G403-L412 WeakPolarHBondContact CA-O 3.29Å; G403-S414 PolarHBondContact N-O 2.93Å; G403-S414 VanDerWaalsContact N-O 3.15Å
404	G	97.4	Very high	95.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.			trans	93.8	-165.8	-175.2	0	0	0	0	0	113.4	E388 V411 L412 L435	E388-G404 CarbonylContact O-C 3.53Å; E388-G404 WeakPolarHBondContact O-CA 3.38Å; G404-V411 WeakPolarHBondContact O-CA 3.44Å; G404-L412 PolarHBondContact O-N 3.05Å; G404-L435 PolarHBondContact N-O 2.84Å
405	R	96	Very high	95.9	Very high	54 Å²	54	44.4 Å²	44.4	20%	0.204	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-118.1	144.8	175.4	-57.1	-173.6	-56.9	-166.8	-3.5	111.6	R387 E388 H389 Q410 V411	R387-R405 CarbonylContact C-O 3.55Å; R387-R405 VanDerWaalsContact CA-O 3.26Å; R387-R405 WeakPolarHBondContact CA-O 3.4Å; E388-R405 HydrophobicContact CG-CB 3.94Å; E388-R405 PolarHBondContact N-O 3.33Å; E388-R405 PolarHBondContact O-N 3.39Å; E388-R405 IonicContact OE1-CZ 3.89Å; E388-R405 IonicContact OE1-NE 3.54Å; E388-R405 PolarHBondContact OE1-NE 2.86Å; E388-R405 IonicContact OE1-NH2 3.99Å; E388-R405 PolarHBondContact OE1-NH2 3.35Å; H389-R405 PolarHBondContact CD2-NH2 3.36Å; H389-R405 PolarHBondContact NE2-NH2 3.35Å; R405-Q410 VanDerWaalsContact CA-O 3.3Å; R405-Q410 WeakPolarHBondContact CA-O 3.4Å; R405-V411 HydrophobicContact CG-CG2 4.31Å
406	N	95.1	Very high	96	Very high	15 Å²	15	44.1 Å²	44.1	8%	0.08	22%	0.224	C	C	.	.			trans	-89.7	-178.1	173.6	72.5	4.5	0	0	0	112.3	C386 L408 R409 Q410 L412	C386-N406 WeakPolarHBondContact O-CA 3.29Å; N406-L408 PolarHBondContact O-N 3.22Å; N406-L408 WeakPolarHBondContact OD1-CA 3.43Å; N406-L408 WeakPolarHBondContact OD1-CB 3.33Å; N406-L408 PolarHBondContact OD1-N 2.87Å; N406-R409 WeakPolarHBondContact O-CA 3.41Å; N406-R409 PolarHBondContact O-N 2.91Å; N406-R409 PolarHBondContact OD1-N 3.11Å; N406-Q410 PolarHBondContact N-O 3.31Å; N406-Q410 VanDerWaalsContact N-O 3.11Å; N406-Q410 PolarHBondContact ND2-OE1 3.39Å; N406-Q410 WeakPolarHBondContact OD1-CB 3.28Å; N406-Q410 PolarHBondContact OD1-N 3.06Å; N406-L412 HydrophobicContact CB-CD1 4.19Å; N406-L412 HydrophobicContact CB-CD2 4.23Å; N406-L412 HydrophobicContact CB-CG 4.4Å
407	E	91.8	Very high	96.2	Very high	95 Å²	95	43.7 Å²	43.7	44%	0.444	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.9	179.3	67.7	-82	-166.6	0	0	113.7	C362 C386 R409	C362-E407 HydrophobicContact CB-CB 4.34Å; C386-E407 WeakPolarHBondContact CB-OE2 3.42Å; C386-E407 PolarHBondContact SG-OE2 3.11Å; E407-R409 VanDerWaalsContact C-N 3.31Å
408	L	91.5	Very high	96.4	Very high	118 Å²	118	39.4 Å²	39.4	62%	0.618	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	7.9	174.1	-57.4	179.8	0	0	0	112.6	N406 Q410	N406-L408 PolarHBondContact O-N 3.22Å; N406-L408 WeakPolarHBondContact OD1-CA 3.43Å; N406-L408 WeakPolarHBondContact OD1-CB 3.33Å; N406-L408 PolarHBondContact OD1-N 2.87Å; L408-Q410 HydrophobicContact CB-CG 4.09Å; L408-Q410 PolarHBondContact O-N 3.41Å
409	R	90.2	Very high	96.4	Very high	198 Å²	198	36.6 Å²	36.6	75%	0.747	17%	0.172	S	C	*	.			trans	61.1	17	-174.9	-56.8	-178.2	170.5	-172.7	-3.3	114.6	N406 E407	N406-R409 WeakPolarHBondContact O-CA 3.41Å; N406-R409 PolarHBondContact O-N 2.91Å; N406-R409 PolarHBondContact OD1-N 3.11Å; E407-R409 VanDerWaalsContact C-N 3.31Å
410	Q	94.6	Very high	96.3	Very high	99 Å²	99	36.6 Å²	36.6	46%	0.463	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-75.3	131.6	175.2	-61.2	171.7	-35.2	0	0	109.2	R405 N406 L408	R405-Q410 VanDerWaalsContact CA-O 3.3Å; R405-Q410 WeakPolarHBondContact CA-O 3.4Å; N406-Q410 PolarHBondContact N-O 3.31Å; N406-Q410 VanDerWaalsContact N-O 3.11Å; N406-Q410 PolarHBondContact ND2-OE1 3.39Å; N406-Q410 WeakPolarHBondContact OD1-CB 3.28Å; N406-Q410 PolarHBondContact OD1-N 3.06Å; L408-Q410 HydrophobicContact CB-CG 4.09Å; L408-Q410 PolarHBondContact O-N 3.41Å
411	V	96.8	Very high	96.2	Very high	16 Å²	16	42.6 Å²	42.6	10%	0.097	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-75.3	127.7	174.9	-170.8	0	0	0	0	108.7	G404 R405 S434 L435 N455	G404-V411 WeakPolarHBondContact O-CA 3.44Å; R405-V411 HydrophobicContact CG-CG2 4.31Å; V411-S434 VanDerWaalsContact O-CB 3.22Å; V411-S434 WeakPolarHBondContact O-CB 3.45Å; V411-L435 VanDerWaalsContact CG1-N 3.35Å; V411-N455 HydrophobicContact CB-CB 3.94Å; V411-N455 HydrophobicContact CG2-CB 4.19Å; V411-N455 PolarHBondContact N-OD1 2.81Å
412	L	96.4	Very high	96.1	Very high	20 Å²	20	51.8 Å²	51.8	11%	0.105	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-95.8	137.7	-172.8	-60	176.7	0	0	0	111.3	A385 R387 G403 G404 N406 L435	A385-L412 HydrophobicContact CB-CD1 4.05Å; R387-L412 HydrophobicContact CG-CD1 4.11Å; G403-L412 VanDerWaalsContact CA-O 3.32Å; G403-L412 WeakPolarHBondContact CA-O 3.29Å; G404-L412 PolarHBondContact O-N 3.05Å; N406-L412 HydrophobicContact CB-CD1 4.19Å; N406-L412 HydrophobicContact CB-CD2 4.23Å; N406-L412 HydrophobicContact CB-CG 4.4Å; L412-L435 PolarHBondContact O-N 3.11Å
413	P	96	Very high	96.1	Very high	55 Å²	55	53.6 Å²	53.6	36%	0.357	24%	0.242	S	C	.	.			trans	-90.2	-11.5	163.4	34.6	-33	0	0	0	112.4	P430 F431	P413-P430 WeakPolarHBondContact O-CA 3.14Å; P413-P430 WeakPolarHBondContact O-CB 3.45Å; P413-F431 HydrophobicContact CB-CB 4.35Å; P413-F431 WeakPolarHBondContact CB-O 3.32Å; P413-F431 WeakPolarHBondContact O-CB 3.38Å; P413-F431 PolarHBondContact O-N 2.74Å
414	S	97.3	Very high	96.2	Very high	24 Å²	24	59.3 Å²	59.3	17%	0.168	27%	0.267	C	S	.	.			trans	-69	144.7	-171.1	57.3	0	0	0	0	111.9	R387 G403	R387-S414 PolarHBondContact NH1-O 2.77Å; R387-S414 PolarHBondContact NH2-O 3.45Å; R387-S414 PolarHBondContact NH2-OG 2.79Å; G403-S414 PolarHBondContact N-O 2.93Å; G403-S414 VanDerWaalsContact N-O 3.15Å
415	V	97.9	Very high	96.2	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.9	172.5	-175.4	0	0	0	0	108.2	Y400 A401 V402 F427 V428 Q429 W473	Y400-V415 HydrophobicContact CD1-CG1 4.48Å; A401-V415 WeakPolarHBondContact O-CA 3.41Å; V402-V415 HydrophobicContact CG1-CG2 4.2Å; V402-V415 HydrophobicContact CG2-CG1 3.85Å; V402-V415 HydrophobicContact CG2-CG2 4.25Å; V415-F427 WeakPolarHBondContact O-CA 3.36Å; V415-V428 HydrophobicContact CB-CG2 3.75Å; V415-V428 HydrophobicContact CG1-CG2 3.46Å; V415-V428 VanDerWaalsContact CG1-CG2 3.46Å; V415-V428 PolarHBondContact O-N 2.79Å; V415-Q429 WeakPolarHBondContact CG2-O 3.46Å; V415-W473 HydrophobicContact CG2-CZ2 3.92Å
416	E	98.1	Very high	96.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.6	179.1	-71.4	-180	-114.3	0	0	111.4	K384 A385 R387 Y400 A401 W425 M426 F427	K384-E416 WeakPolarHBondContact CA-OE2 3.38Å; K384-E416 VanDerWaalsContact CB-OE2 3.27Å; K384-E416 WeakPolarHBondContact CB-OE2 3.49Å; K384-E416 PolarHBondContact N-OE2 2.91Å; A385-E416 WeakPolarHBondContact CB-OE1 3.27Å; A385-E416 PolarHBondContact N-OE1 2.78Å; A385-E416 VanDerWaalsContact N-OE1 3.1Å; R387-E416 IonicContact CZ-OE1 3.4Å; R387-E416 IonicContact NE-OE1 3.25Å; R387-E416 PolarHBondContact NE-OE1 3.2Å; R387-E416 IonicContact NH2-OE1 2.81Å; R387-E416 PolarHBondContact NH2-OE1 3.41Å; Y400-E416 CarbonylContact C-O 3.53Å; Y400-E416 VanDerWaalsContact CA-O 3.3Å; Y400-E416 WeakPolarHBondContact CA-O 3.34Å; A401-E416 PolarHBondContact N-O 3.18Å; A401-E416 PolarHBondContact O-N 2.94Å; E416-W425 HydrophobicContact CB-CE3 3.8Å; E416-W425 HydrophobicContact CB-CZ3 4.28Å; E416-M426 CarbonylContact C-O 3.57Å; E416-M426 VanDerWaalsContact CA-O 3.3Å; E416-M426 WeakPolarHBondContact CA-O 3.19Å; E416-F427 HydrophobicContact CG-CD1 3.39Å; E416-F427 HydrophobicContact CG-CE1 3.43Å; E416-F427 VanDerWaalsContact CG-CE1 3.43Å; E416-F427 HydrophobicContact CG-CG 4.39Å; E416-F427 HydrophobicContact CG-CZ 4.47Å
417	R	98.1	Very high	96.5	Very high	56 Å²	56	64.2 Å²	64.2	21%	0.211	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.7	178	-173.5	177.6	69.3	-175.3	-5.9	111.3	Y398 L399 Y400 W425 M426 V428	Y398-R417 VanDerWaalsContact CB-CG 3.49Å; Y398-R417 HydrophobicContact CD1-CG 3.79Å; Y398-R417 HydrophobicContact CG-CG 3.78Å; L399-R417 CarbonylContact O-C 3.55Å; L399-R417 WeakPolarHBondContact O-CA 3.41Å; Y400-R417 HydrophobicContact CD1-CB 4.05Å; Y400-R417 HydrophobicContact CD1-CG 4.09Å; Y400-R417 HydrophobicContact CD2-CG 4.49Å; Y400-R417 HydrophobicContact CE1-CB 3.91Å; Y400-R417 VanDerWaalsContact CE1-CD 3.41Å; Y400-R417 HydrophobicContact CE1-CG 3.69Å; Y400-R417 HydrophobicContact CE2-CG 4.14Å; Y400-R417 HydrophobicContact CG-CG 4.48Å; Y400-R417 WeakPolarHBondContact OH-CD 3.4Å; Y400-R417 PolarHBondContact OH-NH1 2.77Å; R417-W425 CarbonylContact O-C 3.55Å; R417-W425 WeakPolarHBondContact O-CA 3.37Å; R417-M426 PolarHBondContact N-O 3.15Å; R417-M426 PolarHBondContact O-N 3.03Å; R417-V428 HydrophobicContact CB-CG1 3.7Å
418	Y	98.7	Very high	96.8	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129.7	172.9	179.9	-116	0	0	0	111.3	F348 I380 A381 Y398 L399 P420 N423 W425	F348-Y418 HydrophobicContact CE1-CE1 4.03Å; I380-Y418 HydrophobicContact CD1-CD1 4.46Å; I380-Y418 HydrophobicContact CD1-CE1 3.97Å; I380-Y418 HydrophobicContact CD1-CE2 4.13Å; A381-Y418 HydrophobicContact CB-CE2 4.5Å; Y398-Y418 WeakPolarHBondContact CA-O 3.34Å; Y398-Y418 WeakPolarHBondContact CB-O 3.35Å; Y398-Y418 WeakPolarHBondContact CD1-O 3.44Å; L399-Y418 HydrophobicContact CD1-CD1 3.88Å; L399-Y418 HydrophobicContact CG-CD1 4.16Å; L399-Y418 PolarHBondContact N-O 3.44Å; L399-Y418 PolarHBondContact O-N 3.43Å; Y418-P420 HydrophobicContact CD1-CG 3.99Å; Y418-P420 HydrophobicContact CE1-CB 4.02Å; Y418-P420 HydrophobicContact CE1-CG 3.81Å; Y418-N423 PolarHBondContact OH-OD1 3.07Å; Y418-W425 AromaticContact CD2-CD1 3.69Å; Y418-W425 HydrophobicContact CD2-CD2 4.07Å; Y418-W425 AromaticContact CD2-CE2 3.71Å; Y418-W425 HydrophobicContact CD2-CG 4.09Å; Y418-W425 HydrophobicContact CD2-CZ2 4.3Å; Y418-W425 AromaticContact CD2-NE1 3.42Å; Y418-W425 HydrophobicContact CG-CD2 4.27Å; Y418-W425 AromaticContact CG-CE2 3.9Å; Y418-W425 HydrophobicContact CG-CZ2 4.08Å
419	C	97.8	Very high	97	Very high	11 Å²	11	59.3 Å²	59.3	7%	0.074	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	108.6	171.5	-178.5	0	0	0	0	110.3	Y398 K421 R422 N423 K424	Y398-C419 HydrophobicContact CD1-CB 3.98Å; Y398-C419 HydrophobicContact CE1-CB 3.79Å; C419-K421 VanDerWaalsContact C-N 3.34Å; C419-K421 PolarHBondContact O-N 2.79Å; C419-R422 HydrophobicContact CB-CB 4.33Å; C419-R422 PolarHBondContact O-N 2.93Å; C419-N423 WeakPolarHBondContact O-CA 2.98Å; C419-N423 PolarHBondContact O-N 2.82Å; C419-K424 PolarHBondContact N-O 2.62Å; C419-K424 PolarHBondContact O-N 2.73Å
420	P	97.4	Very high	97.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-59.6	-39.5	178.4	-22.4	31.6	0	0	0	113.4	F271 L275 M343 Q397 Y418 R422 N423	F271-P420 CarbonylContact C-O 3.45Å; F271-P420 VanDerWaalsContact CB-O 3.31Å; F271-P420 WeakPolarHBondContact CB-O 3.31Å; F271-P420 VanDerWaalsContact O-CB 3.24Å; F271-P420 WeakPolarHBondContact O-CB 3.45Å; L275-P420 HydrophobicContact CD1-CB 3.93Å; L275-P420 HydrophobicContact CD1-CG 4.12Å; L275-P420 HydrophobicContact CD2-CG 4.28Å; L275-P420 HydrophobicContact CG-CB 4.16Å; L275-P420 HydrophobicContact CG-CG 4.25Å; M343-P420 HydrophobicContact SD-CG 3.83Å; Q397-P420 WeakPolarHBondContact O-CD 3.49Å; Y418-P420 HydrophobicContact CD1-CG 3.99Å; Y418-P420 HydrophobicContact CE1-CB 4.02Å; Y418-P420 HydrophobicContact CE1-CG 3.81Å; P420-R422 PolarHBondContact O-N 3.25Å; P420-N423 PolarHBondContact O-N 2.92Å
421	K	95.8	Very high	96.9	Very high	131 Å²	131	48.5 Å²	48.5	57%	0.57	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-57.4	-34.9	178	-62.5	-172.2	173.9	163.3	0	113.3	A272 L275 C419	A272-K421 HydrophobicContact CB-CG 4.43Å; L275-K421 HydrophobicContact CD1-CD 4.16Å; L275-K421 HydrophobicContact CD1-CG 3.44Å; L275-K421 VanDerWaalsContact CD1-CG 3.44Å; C419-K421 VanDerWaalsContact C-N 3.34Å; C419-K421 PolarHBondContact O-N 2.79Å
422	R	96.6	Very high	96.4	Very high	192 Å²	192	53 Å²	53	73%	0.725	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-104	-5.1	-176.9	-71.6	-178.3	141	-179.4	-4.3	113.3	C419 P420 K424	C419-R422 HydrophobicContact CB-CB 4.33Å; C419-R422 PolarHBondContact O-N 2.93Å; P420-R422 PolarHBondContact O-N 3.25Å; R422-K424 VanDerWaalsContact C-N 3.32Å; R422-K424 HydrophobicContact CB-CB 4.28Å; R422-K424 PolarHBondContact O-N 2.85Å
423	N	97.8	Very high	95.9	Very high	39 Å²	39	58.1 Å²	58.1	21%	0.209	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	42.7	57.7	-169	-171.3	19.8	0	0	0	111.6	F271 A381 Y418 C419 P420	F271-N423 HydrophobicContact CB-CB 4.21Å; F271-N423 HydrophobicContact CD1-CB 4.37Å; F271-N423 HydrophobicContact CD2-CB 3.93Å; F271-N423 HydrophobicContact CE2-CB 4.42Å; F271-N423 HydrophobicContact CG-CB 3.91Å; F271-N423 WeakPolarHBondContact CZ-ND2 3.3Å; A381-N423 WeakPolarHBondContact CB-O 3.45Å; A381-N423 WeakPolarHBondContact CB-OD1 3.26Å; A381-N423 PolarHBondContact N-OD1 3.12Å; Y418-N423 PolarHBondContact OH-OD1 3.07Å; C419-N423 WeakPolarHBondContact O-CA 2.98Å; C419-N423 PolarHBondContact O-N 2.82Å; P420-N423 PolarHBondContact O-N 2.92Å
424	K	98.3	Very high	95.7	Very high	121 Å²	121	56.5 Å²	56.5	53%	0.526	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	140.7	-173	-170.4	173.3	-177.7	177.1	0	112.8	C419 R422	C419-K424 PolarHBondContact N-O 2.62Å; C419-K424 PolarHBondContact O-N 2.73Å; R422-K424 VanDerWaalsContact C-N 3.32Å; R422-K424 HydrophobicContact CB-CB 4.28Å; R422-K424 PolarHBondContact O-N 2.85Å
425	W	98.6	Very high	95.6	Very high	5 Å²	5	55.7 Å²	55.7	2%	0.019	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	142.6	170.6	-67.1	87.7	0	0	0	112.2	V350 A381 P382 M383 K384 L392 L399 A401 E416 R417 Y418	V350-W425 HydrophobicContact CG1-CH2 4.01Å; V350-W425 HydrophobicContact CG1-CZ2 3.88Å; V350-W425 HydrophobicContact CG2-CH2 4.45Å; V350-W425 HydrophobicContact CG2-CZ2 4.22Å; A381-W425 PolarHBondContact O-NE1 2.73Å; P382-W425 VanDerWaalsContact C-CD1 3.41Å; M383-W425 HydrophobicContact CB-CD2 4.45Å; M383-W425 HydrophobicContact CG-CD2 3.73Å; M383-W425 HydrophobicContact CG-CE3 4.01Å; M383-W425 HydrophobicContact CG-CG 4.29Å; M383-W425 HydrophobicContact CG-CH2 4.01Å; M383-W425 HydrophobicContact CG-CZ2 3.74Å; M383-W425 HydrophobicContact CG-CZ3 4.14Å; M383-W425 HydrophobicContact SD-CH2 4.3Å; M383-W425 HydrophobicContact SD-CZ2 4.49Å; M383-W425 HydrophobicContact SD-CZ3 4.48Å; K384-W425 VanDerWaalsContact CE-O 3.26Å; K384-W425 WeakPolarHBondContact CE-O 3.37Å; L392-W425 HydrophobicContact CD1-CH2 4.07Å; L399-W425 HydrophobicContact CB-CH2 4.38Å; A401-W425 HydrophobicContact CB-CH2 4.2Å; A401-W425 HydrophobicContact CB-CZ3 3.83Å; E416-W425 HydrophobicContact CB-CE3 3.8Å; E416-W425 HydrophobicContact CB-CZ3 4.28Å; R417-W425 CarbonylContact O-C 3.55Å; R417-W425 WeakPolarHBondContact O-CA 3.37Å; Y418-W425 AromaticContact CD2-CD1 3.69Å; Y418-W425 HydrophobicContact CD2-CD2 4.07Å; Y418-W425 AromaticContact CD2-CE2 3.71Å; Y418-W425 HydrophobicContact CD2-CG 4.09Å; Y418-W425 HydrophobicContact CD2-CZ2 4.3Å; Y418-W425 AromaticContact CD2-NE1 3.42Å; Y418-W425 HydrophobicContact CG-CD2 4.27Å; Y418-W425 AromaticContact CG-CE2 3.9Å; Y418-W425 HydrophobicContact CG-CZ2 4.08Å
426	M	98.1	Very high	95.6	Very high	57 Å²	57	55.7 Å²	55.7	28%	0.281	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	148.1	177.2	-59.5	-175.1	-61.8	0	0	109.9	E416 R417	E416-M426 CarbonylContact C-O 3.57Å; E416-M426 VanDerWaalsContact CA-O 3.3Å; E416-M426 WeakPolarHBondContact CA-O 3.19Å; R417-M426 PolarHBondContact N-O 3.15Å; R417-M426 PolarHBondContact O-N 3.03Å
427	F	98.1	Very high	95.5	Very high	110 Å²	110	55.9 Å²	55.9	48%	0.482	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	144.9	171.8	-67.4	-64.2	0	0	0	110	K384 V415 E416	K384-F427 HydrophobicContact CB-CE1 4.24Å; K384-F427 HydrophobicContact CB-CE2 3.96Å; K384-F427 HydrophobicContact CB-CZ 3.56Å; K384-F427 HydrophobicContact CD-CD2 3.68Å; K384-F427 HydrophobicContact CD-CE2 3.32Å; K384-F427 HydrophobicContact CD-CG 4.41Å; K384-F427 HydrophobicContact CD-CZ 3.8Å; K384-F427 HydrophobicContact CG-CE2 4.29Å; K384-F427 HydrophobicContact CG-CZ 4.31Å; V415-F427 WeakPolarHBondContact O-CA 3.36Å; E416-F427 HydrophobicContact CG-CD1 3.39Å; E416-F427 HydrophobicContact CG-CE1 3.43Å; E416-F427 VanDerWaalsContact CG-CE1 3.43Å; E416-F427 HydrophobicContact CG-CG 4.39Å; E416-F427 HydrophobicContact CG-CZ 4.47Å
428	V	97.7	Very high	95.5	Very high	19 Å²	19	53.7 Å²	53.7	12%	0.115	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	-171.5	171.7	-60.7	0	0	0	0	108.6	Y400 V415 R417 P430	Y400-V428 HydrophobicContact CD1-CG2 4.28Å; Y400-V428 HydrophobicContact CE1-CG2 4.33Å; V415-V428 HydrophobicContact CB-CG2 3.75Å; V415-V428 HydrophobicContact CG1-CG2 3.46Å; V415-V428 VanDerWaalsContact CG1-CG2 3.46Å; V415-V428 PolarHBondContact O-N 2.79Å; R417-V428 HydrophobicContact CB-CG1 3.7Å; V428-P430 WeakPolarHBondContact O-CD 3.17Å; V428-P430 VanDerWaalsContact O-N 3.11Å
429	Q	97.2	Very high	95.5	Very high	90 Å²	90	53.9 Å²	53.9	42%	0.421	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-53.9	118.3	-175.5	-175.7	66.2	4.4	0	0	112	V415 Y466 D471 W473	V415-Q429 WeakPolarHBondContact CG2-O 3.46Å; Q429-Y466 HydrophobicContact CB-CE2 4.3Å; Q429-D471 WeakPolarHBondContact CB-O 3.21Å; Q429-D471 WeakPolarHBondContact CB-OD1 3.49Å; Q429-D471 WeakPolarHBondContact CG-O 3.22Å; Q429-D471 PolarHBondContact N-OD1 2.93Å; Q429-W473 PolarHBondContact O-NE1 3.31Å
430	P	95.7	Very high	95.5	Very high	60 Å²	60	54.3 Å²	54.3	39%	0.39	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-72.8	161.9	179.2	32	-35.7	0	0	0	111	P413 V428	P413-P430 WeakPolarHBondContact O-CA 3.14Å; P413-P430 WeakPolarHBondContact O-CB 3.45Å; V428-P430 WeakPolarHBondContact O-CD 3.17Å; V428-P430 VanDerWaalsContact O-N 3.11Å
431	F	87.3	Confident	95.5	Very high	10 Å²	10	55.3 Å²	55.3	4%	0.044	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-65	146.9	166.3	-114	-84	0	0	0	111.5	V402 P413 R433 L435 V449 M464 W473	V402-F431 HydrophobicContact CG1-CD2 3.7Å; V402-F431 HydrophobicContact CG1-CE2 3.59Å; P413-F431 HydrophobicContact CB-CB 4.35Å; P413-F431 WeakPolarHBondContact CB-O 3.32Å; P413-F431 WeakPolarHBondContact O-CB 3.38Å; P413-F431 PolarHBondContact O-N 2.74Å; F431-R433 WeakPolarHBondContact CB-O 3.32Å; F431-R433 PolarHBondContact O-N 3.2Å; F431-L435 HydrophobicContact CD1-CD1 3.99Å; F431-L435 HydrophobicContact CE1-CD1 3.65Å; F431-L435 HydrophobicContact CZ-CD1 3.95Å; F431-V449 HydrophobicContact CE2-CB 4.39Å; F431-V449 HydrophobicContact CE2-CG1 4.29Å; F431-V449 HydrophobicContact CE2-CG2 4.45Å; F431-V449 HydrophobicContact CZ-CB 4.17Å; F431-V449 HydrophobicContact CZ-CG1 4.03Å; F431-M464 HydrophobicContact CE1-CB 3.95Å; F431-M464 HydrophobicContact CE1-CE 4.44Å; F431-M464 HydrophobicContact CE1-CG 3.77Å; F431-M464 HydrophobicContact CZ-CB 3.71Å; F431-M464 HydrophobicContact CZ-CG 4.04Å; F431-W473 HydrophobicContact CD2-CD2 4.07Å; F431-W473 AromaticContact CD2-CE2 3.64Å; F431-W473 HydrophobicContact CD2-CE3 4.34Å; F431-W473 AromaticContact CD2-CH2 3.94Å; F431-W473 HydrophobicContact CD2-CH2 3.94Å; F431-W473 AromaticContact CD2-CZ2 3.59Å; F431-W473 HydrophobicContact CD2-CZ2 3.59Å; F431-W473 HydrophobicContact CD2-CZ3 4.28Å; F431-W473 HydrophobicContact CE1-CE3 4.34Å; F431-W473 AromaticContact CE2-CD2 3.79Å; F431-W473 HydrophobicContact CE2-CD2 3.79Å; F431-W473 AromaticContact CE2-CE2 3.64Å; F431-W473 AromaticContact CE2-CE3 3.6Å; F431-W473 HydrophobicContact CE2-CE3 3.6Å; F431-W473 AromaticContact CE2-CH2 3.2Å; F431-W473 HydrophobicContact CE2-CH2 3.2Å; F431-W473 AromaticContact CE2-CZ2 3.37Å; F431-W473 HydrophobicContact CE2-CZ2 3.37Å; F431-W473 AromaticContact CE2-CZ3 3.3Å; F431-W473 HydrophobicContact CE2-CZ3 3.3Å; F431-W473 HydrophobicContact CZ-CD2 4.04Å; F431-W473 AromaticContact CZ-CE3 3.58Å; F431-W473 HydrophobicContact CZ-CE3 3.58Å; F431-W473 AromaticContact CZ-CH2 3.95Å; F431-W473 HydrophobicContact CZ-CH2 3.95Å; F431-W473 HydrophobicContact CZ-CZ2 4.34Å; F431-W473 AromaticContact CZ-CZ3 3.53Å; F431-W473 HydrophobicContact CZ-CZ3 3.53Å
432	D	86.1	Confident	95.6	Very high	110 Å²	110	51.6 Å²	51.6	59%	0.588	25%	0.25	S	S	*	.	S	Bend	trans	-64.9	-25	173.7	74.1	-30.8	0	0	0	112.8	R462	D432-R462 IonicContact OD1-CZ 2.67Å; D432-R462 IonicContact OD1-NH1 3.07Å; D432-R462 PolarHBondContact OD1-NH1 2.85Å; D432-R462 IonicContact OD1-NH2 2.68Å; D432-R462 IonicContact OD2-NH1 2.9Å; D432-R462 PolarHBondContact OD2-NH1 3.31Å
433	R	86.3	Confident	95.6	Very high	129 Å²	129	43 Å²	43	49%	0.487	22%	0.22	S	C	.	.	S	Bend	trans	-139.6	138.3	176.2	-57.9	-172.9	-176.4	-170.6	-3.4	110.6	F431 L435	F431-R433 WeakPolarHBondContact CB-O 3.32Å; F431-R433 PolarHBondContact O-N 3.2Å; R433-L435 PolarHBondContact O-N 3.17Å
434	S	91.8	Very high	95.5	Very high	21 Å²	21	44.7 Å²	44.7	15%	0.147	23%	0.229	C	C	.	.			trans	-55.8	134.8	173.1	61.4	0	0	0	0	112	V411 T454 N455	V411-S434 VanDerWaalsContact O-CB 3.22Å; V411-S434 WeakPolarHBondContact O-CB 3.45Å; S434-T454 WeakPolarHBondContact O-CA 3.35Å; S434-N455 WeakPolarHBondContact OG-CB 3.32Å; S434-N455 PolarHBondContact OG-N 3.01Å
435	L	94.6	Very high	95.3	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.031	24%	0.235	C	C	.	.			trans	-138.6	137	177.8	-70	171	0	0	0	111.5	G404 V411 L412 F431 R433 H438 V449 V453 T454 Q460	G404-L435 PolarHBondContact N-O 2.84Å; V411-L435 VanDerWaalsContact CG1-N 3.35Å; L412-L435 PolarHBondContact O-N 3.11Å; F431-L435 HydrophobicContact CD1-CD1 3.99Å; F431-L435 HydrophobicContact CE1-CD1 3.65Å; F431-L435 HydrophobicContact CZ-CD1 3.95Å; R433-L435 PolarHBondContact O-N 3.17Å; L435-H438 PolarHBondContact O-CE1 3.16Å; L435-H438 PolarHBondContact O-ND1 2.73Å; L435-V449 HydrophobicContact CD1-CG1 4.49Å; L435-V453 WeakPolarHBondContact CA-O 3.26Å; L435-T454 HydrophobicContact CD2-CG2 4.32Å; L435-Q460 HydrophobicContact CD2-CG 3.9Å
436	S	97.1	Very high	95.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.007	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-134.1	163.9	166.8	62.1	0	0	0	0	110.8	H438 G452 V453	S436-H438 PolarHBondContact O-N 3.36Å; S436-H438 VanDerWaalsContact O-N 3.07Å; S436-G452 CarbonylContact O-C 3.46Å; S436-G452 VanDerWaalsContact O-CA 3.28Å; S436-G452 WeakPolarHBondContact O-CA 3.03Å; S436-V453 PolarHBondContact N-O 2.84Å; S436-V453 PolarHBondContact O-N 3.07Å; S436-V453 WeakPolarHBondContact OG-CG1 3.28Å
437	C	97.2	Very high	95.3	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.027	23%	0.231	C	C	.	.	S	Bend	trans	57.6	24.3	179	-41.4	0	0	0	0	112.6	H389 V453 V484 Y485	H389-C437 HydrophobicContact CB-CB 4.48Å; H389-C437 PolarHBondContact O-N 3.07Å; C437-V453 HydrophobicContact CB-CG1 4.4Å; C437-V484 HydrophobicContact CB-CB 4.32Å; C437-V484 WeakPolarHBondContact O-CA 3.08Å; C437-Y485 HydrophobicContact CB-CD1 3.68Å; C437-Y485 HydrophobicContact CB-CD2 4.36Å; C437-Y485 HydrophobicContact CB-CE1 3.6Å; C437-Y485 HydrophobicContact CB-CE2 4.28Å; C437-Y485 HydrophobicContact CB-CG 4.08Å; C437-Y485 PolarHBondContact O-N 3.27Å; C437-Y485 WeakPolarHBondContact SG-CE1 3.39Å; C437-Y485 PolarHBondContact SG-OH 3.05Å; C437-Y485 VanDerWaalsContact SG-OH 3.4Å
438	H	97.8	Very high	95.3	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.046	21%	0.209	C	C	.	.			trans	-85.8	163.5	172.8	54.4	-84.2	0	0	0	109.2	V391 V402 L435 S436 V449 S450	V391-H438 WeakPolarHBondContact CG2-CD2 3.04Å; V402-H438 PolarHBondContact O-CE1 2.95Å; V402-H438 VanDerWaalsContact O-CE1 3.31Å; V402-H438 PolarHBondContact O-NE2 3.42Å; L435-H438 PolarHBondContact O-CE1 3.16Å; L435-H438 PolarHBondContact O-ND1 2.73Å; S436-H438 PolarHBondContact O-N 3.36Å; S436-H438 VanDerWaalsContact O-N 3.07Å; H438-V449 HydrophobicContact CB-CG1 4.17Å; H438-V449 WeakPolarHBondContact CD2-CG1 3.18Å; H438-S450 WeakPolarHBondContact CB-O 3.34Å
439	A	98.1	Very high	95.3	Very high	5 Å²	5	38 Å²	38	4%	0.041	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	156.7	172.2	0	0	0	0	0	110.1	V449 S450 H486 M488	A439-V449 CarbonylContact O-C 3.58Å; A439-V449 WeakPolarHBondContact O-CA 3.03Å; A439-S450 PolarHBondContact N-O 3.01Å; A439-S450 PolarHBondContact O-N 3Å; A439-H486 VanDerWaalsContact CB-CD2 3.41Å; A439-H486 WeakPolarHBondContact CB-CD2 3.43Å; A439-H486 VanDerWaalsContact CB-NE2 3.29Å; A439-H486 WeakPolarHBondContact CB-NE2 3.41Å; A439-H486 WeakPolarHBondContact CB-O 3.49Å; A439-M488 HydrophobicContact CB-CB 3.71Å
440	G	97.4	Very high	95.3	Very high	20 Å²	20	33.7 Å²	33.7	21%	0.206	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	156.9	175.9	0	0	0	0	0	112.3	V391 W448	V391-G440 VanDerWaalsContact CG2-N 3.34Å; G440-W448 CarbonylContact C-O 3.57Å; G440-W448 WeakPolarHBondContact CA-O 3.26Å
441	C	97.8	Very high	95.4	Very high	21 Å²	21	30.9 Å²	30.9	14%	0.142	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	165.4	175.4	68	0	0	0	0	109.8	W448 M488 L495	C441-W448 PolarHBondContact N-O 2.81Å; C441-W448 VanDerWaalsContact N-O 3.08Å; C441-W448 PolarHBondContact O-N 3.4Å; C441-M488 HydrophobicContact CB-CE 4.29Å; C441-M488 WeakPolarHBondContact SG-CE 3.35Å; C441-L495 VanDerWaalsContact SG-CD2 3.57Å
442	V	97.6	Very high	95.9	Very high	53 Å²	53	30.4 Å²	30.4	32%	0.321	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.5	174.4	169.3	0	0	0	0	108.7	L395 L446 L447	L395-V442 HydrophobicContact CD2-CB 4.34Å; L395-V442 HydrophobicContact CD2-CG1 3.39Å; L395-V442 HydrophobicContact CD2-CG2 4.06Å; L395-V442 HydrophobicContact CG-CG1 4.1Å; L395-V442 HydrophobicContact CG-CG2 3.84Å; V442-L446 WeakPolarHBondContact CA-O 3.5Å; V442-L447 HydrophobicContact CG2-CD1 3.85Å
443	A	97	Very high	96.3	Very high	11 Å²	11	26.3 Å²	26.3	9%	0.091	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	138.8	175	0	0	0	0	0	109.5	D445 L446 W448 A490 L495 M520	A443-D445 VanDerWaalsContact C-N 3.28Å; A443-D445 PolarHBondContact O-N 2.94Å; A443-L446 PolarHBondContact N-O 3.49Å; A443-L446 WeakPolarHBondContact O-CB 3.29Å; A443-L446 PolarHBondContact O-N 2.95Å; A443-W448 PolarHBondContact O-NE1 3.37Å; A443-A490 HydrophobicContact CB-CB 3.67Å; A443-L495 HydrophobicContact CB-CD2 4.37Å; A443-M520 HydrophobicContact CB-CE 3.58Å; A443-M520 HydrophobicContact CB-SD 4.23Å
444	D	95	Very high	96.8	Very high	75 Å²	75	20.6 Å²	20.6	40%	0.401	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	44	-176.6	-56.3	-29.2	0	0	0	113.5	L446 R493 M520	D444-L446 WeakPolarHBondContact O-CG 3.36Å; D444-L446 PolarHBondContact O-N 3.2Å; D444-R493 IonicContact OD1-NH1 3.68Å; D444-R493 PolarHBondContact OD1-NH1 2.85Å; D444-R493 VanDerWaalsContact OD1-NH1 3.11Å; D444-R493 IonicContact OD2-CZ 2.77Å; D444-R493 IonicContact OD2-NH1 3.76Å; D444-R493 PolarHBondContact OD2-NH1 2.76Å; D444-R493 IonicContact OD2-NH2 3.64Å; D444-M520 VanDerWaalsContact OD2-SD 3.37Å
445	D	95.5	Very high	96.7	Very high	123 Å²	123	24.4 Å²	24.4	66%	0.658	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	20.6	-177.1	-62.3	-51.7	0	0	0	115.1	L395 A443	L395-D445 VanDerWaalsContact CD2-O 3.28Å; L395-D445 WeakPolarHBondContact CD2-O 3.47Å; A443-D445 VanDerWaalsContact C-N 3.28Å; A443-D445 PolarHBondContact O-N 2.94Å
446	L	97.2	Very high	96.5	Very high	40 Å²	40	29 Å²	29	21%	0.209	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	152.1	176.5	-61	172.1	0	0	0	111.5	V442 A443 D444 W448 V465 D467	V442-L446 WeakPolarHBondContact CA-O 3.5Å; A443-L446 PolarHBondContact N-O 3.49Å; A443-L446 WeakPolarHBondContact O-CB 3.29Å; A443-L446 PolarHBondContact O-N 2.95Å; D444-L446 WeakPolarHBondContact O-CG 3.36Å; D444-L446 PolarHBondContact O-N 3.2Å; L446-W448 HydrophobicContact CD1-CZ2 4.42Å; L446-V465 HydrophobicContact CB-CG2 3.51Å; L446-V465 HydrophobicContact CD1-CG2 3.8Å; L446-V465 HydrophobicContact CG-CG2 4.14Å; L446-D467 HydrophobicContact CD2-CB 3.91Å
447	L	97.9	Very high	96.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.2	175.4	-177.1	61.5	0	0	0	110.3	V391 L395 V402 V442 V465 Y466	V391-L447 HydrophobicContact CG1-CD1 4.05Å; L395-L447 HydrophobicContact CD1-CB 3.62Å; V402-L447 HydrophobicContact CG2-CD2 3.39Å; V442-L447 HydrophobicContact CG2-CD1 3.85Å; L447-V465 CarbonylContact O-C 3.59Å; L447-V465 WeakPolarHBondContact O-CA 3.38Å; L447-Y466 HydrophobicContact CB-CD1 4.46Å; L447-Y466 PolarHBondContact N-O 2.69Å; L447-Y466 VanDerWaalsContact N-O 3.12Å; L447-Y466 PolarHBondContact O-N 2.97Å
448	W	98.3	Very high	96	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.027	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	138	180	-63.6	82.1	0	0	0	110.3	G440 C441 A443 L446 L463 M464 V465 R476 M488 L495 Y518 M520	G440-W448 CarbonylContact C-O 3.57Å; G440-W448 WeakPolarHBondContact CA-O 3.26Å; C441-W448 PolarHBondContact N-O 2.81Å; C441-W448 VanDerWaalsContact N-O 3.08Å; C441-W448 PolarHBondContact O-N 3.4Å; A443-W448 PolarHBondContact O-NE1 3.37Å; L446-W448 HydrophobicContact CD1-CZ2 4.42Å; W448-L463 HydrophobicContact CE3-CD1 4.06Å; W448-L463 HydrophobicContact CE3-CD2 4.07Å; W448-L463 HydrophobicContact CE3-CG 4.11Å; W448-L463 HydrophobicContact CZ3-CD2 3.91Å; W448-L463 HydrophobicContact CZ3-CG 4.31Å; W448-M464 WeakPolarHBondContact CA-O 3.44Å; W448-V465 HydrophobicContact CD2-CB 3.86Å; W448-V465 HydrophobicContact CD2-CG2 3.64Å; W448-V465 HydrophobicContact CE3-CB 3.77Å; W448-V465 HydrophobicContact CE3-CG2 4.07Å; W448-V465 HydrophobicContact CG-CB 4.5Å; W448-V465 HydrophobicContact CG-CG2 4.08Å; W448-V465 HydrophobicContact CH2-CB 4.27Å; W448-V465 HydrophobicContact CH2-CG1 4.44Å; W448-V465 HydrophobicContact CH2-CG2 4.29Å; W448-V465 HydrophobicContact CZ2-CB 4.31Å; W448-V465 HydrophobicContact CZ2-CG2 3.85Å; W448-V465 HydrophobicContact CZ3-CB 4.02Å; W448-V465 HydrophobicContact CZ3-CG1 4.42Å; W448-V465 HydrophobicContact CZ3-CG2 4.41Å; W448-R476 HydrophobicContact CH2-CG 4.27Å; W448-R476 HydrophobicContact CZ3-CB 4.41Å; W448-R476 HydrophobicContact CZ3-CG 3.76Å; W448-M488 HydrophobicContact CB-CE 3.45Å; W448-M488 VanDerWaalsContact CB-CE 3.45Å; W448-M488 VanDerWaalsContact O-CE 3.31Å; W448-M488 WeakPolarHBondContact O-CE 3.42Å; W448-L495 HydrophobicContact CB-CD1 4.07Å; W448-L495 HydrophobicContact CD2-CD1 3.7Å; W448-L495 HydrophobicContact CE3-CD1 3.54Å; W448-L495 HydrophobicContact CG-CD1 3.93Å; W448-L495 HydrophobicContact CG-CD2 4.46Å; W448-L495 HydrophobicContact CZ3-CD1 4.14Å; W448-Y518 AromaticContact CH2-CE1 4Å; W448-Y518 HydrophobicContact CH2-CE1 4Å; W448-Y518 AromaticContact CZ3-CE1 3.7Å; W448-Y518 HydrophobicContact CZ3-CE1 3.7Å; W448-M520 HydrophobicContact CH2-CG 4.42Å; W448-M520 HydrophobicContact CZ2-CG 4.24Å
449	V	98.1	Very high	95.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.1	179.1	170.5	0	0	0	0	110	V402 F431 L435 H438 A439 M464 W473	V402-V449 HydrophobicContact CG1-CG2 4.22Å; F431-V449 HydrophobicContact CE2-CB 4.39Å; F431-V449 HydrophobicContact CE2-CG1 4.29Å; F431-V449 HydrophobicContact CE2-CG2 4.45Å; F431-V449 HydrophobicContact CZ-CB 4.17Å; F431-V449 HydrophobicContact CZ-CG1 4.03Å; L435-V449 HydrophobicContact CD1-CG1 4.49Å; H438-V449 HydrophobicContact CB-CG1 4.17Å; H438-V449 WeakPolarHBondContact CD2-CG1 3.18Å; A439-V449 CarbonylContact O-C 3.58Å; A439-V449 WeakPolarHBondContact O-CA 3.03Å; V449-M464 PolarHBondContact N-O 2.86Å; V449-M464 PolarHBondContact O-N 2.82Å; V449-W473 HydrophobicContact CB-CZ3 4.29Å; V449-W473 HydrophobicContact CG2-CH2 3.99Å; V449-W473 HydrophobicContact CG2-CZ3 4.09Å
450	S	97.9	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.6	-179.2	66.1	0	0	0	0	113.3	H438 A439 R462 H486 M488	H438-S450 WeakPolarHBondContact CB-O 3.34Å; A439-S450 PolarHBondContact N-O 3.01Å; A439-S450 PolarHBondContact O-N 3Å; S450-R462 WeakPolarHBondContact CA-O 3.31Å; S450-H486 PolarHBondContact O-CE1 2.91Å; S450-H486 PolarHBondContact O-NE2 3.2Å; S450-H486 PolarHBondContact OG-NE2 2.85Å; S450-M488 PolarHBondContact OG-SD 2.84Å; S450-M488 VanDerWaalsContact OG-SD 3.35Å
451	G	97.2	Very high	95.7	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.021	23%	0.231	C	C	.	.			trans	64.7	-141	171.2	0	0	0	0	0	114.8	Q460 R462	G451-Q460 VanDerWaalsContact CA-O 3.28Å; G451-Q460 WeakPolarHBondContact CA-O 3.16Å; G451-R462 PolarHBondContact N-O 2.97Å
452	G	97.1	Very high	95.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.233	C	C	.	.			trans	89	-173.8	-177	0	0	0	0	0	114.2	S436 Q460 R483	S436-G452 CarbonylContact O-C 3.46Å; S436-G452 VanDerWaalsContact O-CA 3.28Å; S436-G452 WeakPolarHBondContact O-CA 3.03Å; G452-Q460 PolarHBondContact O-N 2.85Å; G452-R483 PolarHBondContact N-O 2.85Å
453	V	96.3	Very high	95.7	Very high	23 Å²	23	39.5 Å²	39.5	14%	0.139	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-122.2	138.8	-177.3	65	0	0	0	0	110.7	L435 S436 C437 Q458 Y459 V484	L435-V453 WeakPolarHBondContact CA-O 3.26Å; S436-V453 PolarHBondContact N-O 2.84Å; S436-V453 PolarHBondContact O-N 3.07Å; S436-V453 WeakPolarHBondContact OG-CG1 3.28Å; C437-V453 HydrophobicContact CB-CG1 4.4Å; V453-Q458 WeakPolarHBondContact CA-O 3.05Å; V453-Y459 HydrophobicContact CB-CD1 4.24Å; V453-Y459 HydrophobicContact CB-CE1 4.44Å; V453-Y459 HydrophobicContact CG2-CD1 3.94Å; V453-Y459 HydrophobicContact CG2-CE1 4.13Å; V453-V484 HydrophobicContact CB-CG1 4.12Å
454	T	95	Very high	95.7	Very high	9 Å²	9	39.7 Å²	39.7	6%	0.055	22%	0.217	C	C	.	.			trans	-83.2	170.1	176.5	63.1	0	0	0	0	111.9	S434 L435 T456 A457 Q458 Q460	S434-T454 WeakPolarHBondContact O-CA 3.35Å; L435-T454 HydrophobicContact CD2-CG2 4.32Å; T454-T456 PolarHBondContact O-N 2.89Å; T454-T456 VanDerWaalsContact O-N 3.1Å; T454-T456 PolarHBondContact OG1-N 2.81Å; T454-T456 PolarHBondContact OG1-OG1 3.06Å; T454-A457 PolarHBondContact O-N 3.01Å; T454-Q458 PolarHBondContact N-O 2.85Å; T454-Q458 VanDerWaalsContact N-O 3.14Å; T454-Q458 WeakPolarHBondContact OG1-CB 3.47Å; T454-Q458 PolarHBondContact OG1-N 3.04Å; T454-Q458 VanDerWaalsContact OG1-N 3.17Å; T454-Q460 HydrophobicContact CG2-CG 3.89Å
455	N	91.3	Very high	95.8	Very high	101 Å²	101	36.2 Å²	36.2	54%	0.54	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.1	172.9	-156.2	46.5	0	0	0	113.6	V411 S434 A457	V411-N455 HydrophobicContact CB-CB 3.94Å; V411-N455 HydrophobicContact CG2-CB 4.19Å; V411-N455 PolarHBondContact N-OD1 2.81Å; S434-N455 WeakPolarHBondContact OG-CB 3.32Å; S434-N455 PolarHBondContact OG-N 3.01Å; N455-A457 VanDerWaalsContact C-N 3.3Å
456	T	90.8	Very high	95.9	Very high	102 Å²	102	30.4 Å²	30.4	63%	0.626	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	14.7	174.1	54.6	0	0	0	0	113.1	T454 Q458	T454-T456 PolarHBondContact O-N 2.89Å; T454-T456 VanDerWaalsContact O-N 3.1Å; T454-T456 PolarHBondContact OG1-N 2.81Å; T454-T456 PolarHBondContact OG1-OG1 3.06Å; T456-Q458 PolarHBondContact O-N 2.9Å
457	A	89.5	Confident	95.9	Very high	74 Å²	74	29.6 Å²	29.6	61%	0.612	16%	0.163	S	C	*	.			trans	61.3	21.7	-178.6	0	0	0	0	0	115	T454 N455	T454-A457 PolarHBondContact O-N 3.01Å; N455-A457 VanDerWaalsContact C-N 3.3Å
458	Q	93	Very high	95.7	Very high	107 Å²	107	31 Å²	31	50%	0.5	17%	0.173	S	C	.	.			trans	-89.9	123.1	178.8	-65.6	178.5	-24.9	0	0	111.3	V453 T454 T456 Q460	V453-Q458 WeakPolarHBondContact CA-O 3.05Å; T454-Q458 PolarHBondContact N-O 2.85Å; T454-Q458 VanDerWaalsContact N-O 3.14Å; T454-Q458 WeakPolarHBondContact OG1-CB 3.47Å; T454-Q458 PolarHBondContact OG1-N 3.04Å; T454-Q458 VanDerWaalsContact OG1-N 3.17Å; T456-Q458 PolarHBondContact O-N 2.9Å; Q458-Q460 PolarHBondContact O-NE2 3.03Å
459	Y	95.4	Very high	95.5	Very high	30 Å²	30	39.5 Å²	39.5	12%	0.118	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-72.1	139	175.5	-74.7	24.2	0	0	0	109.8	V453 R482 V484 L503	V453-Y459 HydrophobicContact CB-CD1 4.24Å; V453-Y459 HydrophobicContact CB-CE1 4.44Å; V453-Y459 HydrophobicContact CG2-CD1 3.94Å; V453-Y459 HydrophobicContact CG2-CE1 4.13Å; Y459-R482 WeakPolarHBondContact O-CD 3.37Å; Y459-V484 HydrophobicContact CD1-CG1 3.84Å; Y459-V484 HydrophobicContact CD2-CG1 3.73Å; Y459-V484 HydrophobicContact CD2-CG2 4.05Å; Y459-V484 HydrophobicContact CE1-CG1 4Å; Y459-V484 HydrophobicContact CE1-CG2 4.29Å; Y459-V484 HydrophobicContact CE2-CB 4.32Å; Y459-V484 HydrophobicContact CE2-CG1 3.88Å; Y459-V484 HydrophobicContact CE2-CG2 3.4Å; Y459-V484 VanDerWaalsContact CE2-CG2 3.4Å; Y459-V484 HydrophobicContact CG-CG1 3.7Å; Y459-L503 HydrophobicContact CD1-CD1 4.12Å; Y459-L503 HydrophobicContact CD2-CD1 4.07Å; Y459-L503 HydrophobicContact CD2-CG 3.87Å; Y459-L503 HydrophobicContact CE1-CD1 4.02Å; Y459-L503 HydrophobicContact CE1-CG 4.49Å; Y459-L503 HydrophobicContact CE2-CD1 3.97Å; Y459-L503 HydrophobicContact CE2-CD2 4.09Å; Y459-L503 HydrophobicContact CE2-CG 3.58Å; Y459-L503 HydrophobicContact CG-CD1 4.15Å; Y459-L503 HydrophobicContact CG-CG 4.45Å
460	Q	95.9	Very high	95.4	Very high	19 Å²	19	44.6 Å²	44.6	9%	0.089	24%	0.236	C	C	.	.			trans	-113.7	152.5	-173.6	-58.2	-63.5	-59.7	0	0	111.2	L435 G451 G452 T454 Q458 R482 R483	L435-Q460 HydrophobicContact CD2-CG 3.9Å; G451-Q460 VanDerWaalsContact CA-O 3.28Å; G451-Q460 WeakPolarHBondContact CA-O 3.16Å; G452-Q460 PolarHBondContact O-N 2.85Å; T454-Q460 HydrophobicContact CG2-CG 3.89Å; Q458-Q460 PolarHBondContact O-NE2 3.03Å; Q460-R482 WeakPolarHBondContact O-CA 3.18Å; Q460-R483 PolarHBondContact O-N 2.99Å
461	N	96.6	Very high	95.3	Very high	55 Å²	55	47.6 Å²	47.6	29%	0.294	25%	0.252	S	S	.	.			trans	-118.8	8.3	166.7	68.7	-24.9	0	0	0	112.4	P478 M479 R482	N461-P478 CarbonylContact O-C 3.5Å; N461-P478 WeakPolarHBondContact O-CA 3.42Å; N461-M479 HydrophobicContact CB-CB 4.12Å; N461-M479 HydrophobicContact CB-CE 4.46Å; N461-M479 PolarHBondContact ND2-O 2.91Å; N461-M479 WeakPolarHBondContact O-CB 3.36Å; N461-M479 PolarHBondContact O-N 2.84Å; N461-R482 HydrophobicContact CB-CB 4.39Å; N461-R482 HydrophobicContact CB-CG 3.96Å
462	R	96.9	Very high	95.2	Very high	50 Å²	50	52.3 Å²	52.3	19%	0.189	27%	0.274	C	S	.	.			trans	-63.2	143	-179.3	-65.6	-168.9	-68	154.6	11.7	111.1	D432 S450 G451 M464	D432-R462 IonicContact OD1-CZ 2.67Å; D432-R462 IonicContact OD1-NH1 3.07Å; D432-R462 PolarHBondContact OD1-NH1 2.85Å; D432-R462 IonicContact OD1-NH2 2.68Å; D432-R462 IonicContact OD2-NH1 2.9Å; D432-R462 PolarHBondContact OD2-NH1 3.31Å; S450-R462 WeakPolarHBondContact CA-O 3.31Å; G451-R462 PolarHBondContact N-O 2.97Å; R462-M464 HydrophobicContact CB-CG 4.49Å
463	L	98.1	Very high	95.2	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.7	165.9	-179.4	66.2	0	0	0	108	W448 R476 S477 L495 Y518 W525	W448-L463 HydrophobicContact CE3-CD1 4.06Å; W448-L463 HydrophobicContact CE3-CD2 4.07Å; W448-L463 HydrophobicContact CE3-CG 4.11Å; W448-L463 HydrophobicContact CZ3-CD2 3.91Å; W448-L463 HydrophobicContact CZ3-CG 4.31Å; L463-R476 HydrophobicContact CB-CB 4.2Å; L463-R476 HydrophobicContact CD2-CB 3.76Å; L463-R476 HydrophobicContact CG-CB 3.96Å; L463-R476 PolarHBondContact O-N 2.8Å; L463-S477 WeakPolarHBondContact CB-O 3.16Å; L463-L495 HydrophobicContact CD1-CD1 4.26Å; L463-L495 HydrophobicContact CD2-CD1 4.46Å; L463-Y518 HydrophobicContact CD2-CD1 3.91Å; L463-Y518 HydrophobicContact CD2-CD2 3.85Å; L463-Y518 HydrophobicContact CD2-CE1 3.7Å; L463-Y518 HydrophobicContact CD2-CE2 3.63Å; L463-Y518 HydrophobicContact CD2-CG 3.98Å; L463-W525 HydrophobicContact CB-CZ2 4.43Å; L463-W525 HydrophobicContact CD1-CZ2 4.24Å; L463-W525 HydrophobicContact CD2-CZ2 3.84Å; L463-W525 HydrophobicContact CG-CZ2 4.4Å
464	M	97.6	Very high	95.2	Very high	15 Å²	15	56.2 Å²	56.2	7%	0.074	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.8	-176.9	-60	-71.4	-54.3	0	0	108.6	F431 W448 V449 R462 W473 L474 A475	F431-M464 HydrophobicContact CE1-CB 3.95Å; F431-M464 HydrophobicContact CE1-CE 4.44Å; F431-M464 HydrophobicContact CE1-CG 3.77Å; F431-M464 HydrophobicContact CZ-CB 3.71Å; F431-M464 HydrophobicContact CZ-CG 4.04Å; W448-M464 WeakPolarHBondContact CA-O 3.44Å; V449-M464 PolarHBondContact N-O 2.86Å; V449-M464 PolarHBondContact O-N 2.82Å; R462-M464 HydrophobicContact CB-CG 4.49Å; M464-W473 HydrophobicContact CB-CE3 3.97Å; M464-W473 HydrophobicContact CB-CZ3 4.3Å; M464-W473 HydrophobicContact CE-CB 4.09Å; M464-L474 CarbonylContact C-O 3.55Å; M464-L474 WeakPolarHBondContact CA-O 3.47Å; M464-A475 HydrophobicContact CE-CB 4.25Å; M464-A475 HydrophobicContact SD-CB 3.74Å
465	V	97.4	Very high	95.3	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.9	178.7	63.6	0	0	0	0	109.6	L446 L447 W448 W473 L474 R476	L446-V465 HydrophobicContact CB-CG2 3.51Å; L446-V465 HydrophobicContact CD1-CG2 3.8Å; L446-V465 HydrophobicContact CG-CG2 4.14Å; L447-V465 CarbonylContact O-C 3.59Å; L447-V465 WeakPolarHBondContact O-CA 3.38Å; W448-V465 HydrophobicContact CD2-CB 3.86Å; W448-V465 HydrophobicContact CD2-CG2 3.64Å; W448-V465 HydrophobicContact CE3-CB 3.77Å; W448-V465 HydrophobicContact CE3-CG2 4.07Å; W448-V465 HydrophobicContact CG-CB 4.5Å; W448-V465 HydrophobicContact CG-CG2 4.08Å; W448-V465 HydrophobicContact CH2-CB 4.27Å; W448-V465 HydrophobicContact CH2-CG1 4.44Å; W448-V465 HydrophobicContact CH2-CG2 4.29Å; W448-V465 HydrophobicContact CZ2-CB 4.31Å; W448-V465 HydrophobicContact CZ2-CG2 3.85Å; W448-V465 HydrophobicContact CZ3-CB 4.02Å; W448-V465 HydrophobicContact CZ3-CG1 4.42Å; W448-V465 HydrophobicContact CZ3-CG2 4.41Å; V465-W473 CarbonylContact O-C 3.56Å; V465-W473 WeakPolarHBondContact O-CA 3.43Å; V465-L474 HydrophobicContact CG1-CB 3.78Å; V465-L474 PolarHBondContact N-O 2.93Å; V465-L474 PolarHBondContact O-N 3.12Å; V465-R476 HydrophobicContact CG1-CG 4.05Å
466	Y	97.5	Very high	95.6	Very high	1 Å²	1	59 Å²	59	0%	0.004	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.6	177	173.2	-98.5	0	0	0	110.5	Y400 Q429 L447 P468 D471 Q472 W473	Y400-Y466 AromaticContact CD1-CE1 3.81Å; Y400-Y466 HydrophobicContact CD1-CE1 3.81Å; Y400-Y466 AromaticContact CE1-CE1 3.52Å; Y400-Y466 HydrophobicContact CE1-CE1 3.52Å; Q429-Y466 HydrophobicContact CB-CE2 4.3Å; L447-Y466 HydrophobicContact CB-CD1 4.46Å; L447-Y466 PolarHBondContact N-O 2.69Å; L447-Y466 VanDerWaalsContact N-O 3.12Å; L447-Y466 PolarHBondContact O-N 2.97Å; Y466-P468 HydrophobicContact CD1-CB 4.47Å; Y466-P468 HydrophobicContact CE1-CB 3.88Å; Y466-P468 WeakPolarHBondContact O-CD 3.34Å; Y466-D471 PolarHBondContact OH-OD1 2.88Å; Y466-Q472 WeakPolarHBondContact CA-O 3.41Å; Y466-Q472 WeakPolarHBondContact CD2-O 3.34Å; Y466-W473 VanDerWaalsContact CB-CH2 3.41Å; Y466-W473 VanDerWaalsContact CB-CZ3 3.44Å; Y466-W473 AromaticContact CD2-CD1 3.88Å; Y466-W473 AromaticContact CD2-CD2 4Å; Y466-W473 HydrophobicContact CD2-CD2 4Å; Y466-W473 AromaticContact CD2-CE2 3.57Å; Y466-W473 HydrophobicContact CD2-CG 4.17Å; Y466-W473 AromaticContact CD2-CZ2 3.94Å; Y466-W473 HydrophobicContact CD2-CZ2 3.94Å; Y466-W473 AromaticContact CD2-NE1 3.51Å; Y466-W473 HydrophobicContact CG-CD2 4.32Å; Y466-W473 AromaticContact CG-CE2 3.95Å; Y466-W473 HydrophobicContact CG-CH2 4.21Å; Y466-W473 AromaticContact CG-CZ2 3.9Å; Y466-W473 HydrophobicContact CG-CZ2 3.9Å
467	D	96.3	Very high	96	Very high	24 Å²	24	56.3 Å²	56.3	13%	0.128	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	110.6	172.9	-177.1	-23.8	0	0	0	108.9	L446 E469 Q470 D471 Q472	L446-D467 HydrophobicContact CD2-CB 3.91Å; D467-E469 VanDerWaalsContact C-N 3.28Å; D467-E469 PolarHBondContact O-N 2.82Å; D467-E469 WeakPolarHBondContact OD1-CA 3.45Å; D467-E469 WeakPolarHBondContact OD1-CB 3.2Å; D467-E469 PolarHBondContact OD1-N 3.14Å; D467-Q470 HydrophobicContact CB-CB 4.24Å; D467-Q470 PolarHBondContact OD1-N 3.12Å; D467-Q470 VanDerWaalsContact OD1-N 3.16Å; D467-Q470 VanDerWaalsContact OD2-CD 3.31Å; D467-Q470 WeakPolarHBondContact OD2-CG 3.46Å; D467-Q470 PolarHBondContact OD2-NE2 3.06Å; D467-D471 WeakPolarHBondContact O-CA 3.41Å; D467-D471 PolarHBondContact O-N 2.95Å; D467-Q472 PolarHBondContact N-O 2.94Å; D467-Q472 PolarHBondContact O-N 2.93Å
468	P	94.3	Very high	96.4	Very high	30 Å²	30	56.1 Å²	56.1	20%	0.195	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.2	-179.8	30.9	-35.6	0	0	0	113.9	L395 Y400 Y466	L395-P468 HydrophobicContact CD1-CG 4.23Å; Y400-P468 HydrophobicContact CE2-CB 4.39Å; Y400-P468 WeakPolarHBondContact OH-CB 3.35Å; Y466-P468 HydrophobicContact CD1-CB 4.47Å; Y466-P468 HydrophobicContact CE1-CB 3.88Å; Y466-P468 WeakPolarHBondContact O-CD 3.34Å
469	E	94.1	Very high	96.6	Very high	184 Å²	184	51.1 Å²	51.1	86%	0.86	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-40.1	177	-57.7	-164.7	148.9	0	0	110.8	D467	D467-E469 VanDerWaalsContact C-N 3.28Å; D467-E469 PolarHBondContact O-N 2.82Å; D467-E469 WeakPolarHBondContact OD1-CA 3.45Å; D467-E469 WeakPolarHBondContact OD1-CB 3.2Å; D467-E469 PolarHBondContact OD1-N 3.14Å
470	Q	94.8	Very high	96.7	Very high	108 Å²	108	54.1 Å²	54.1	51%	0.505	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-12.5	179.3	-60.9	-175.6	14.3	0	0	113.7	D467 Q472	D467-Q470 HydrophobicContact CB-CB 4.24Å; D467-Q470 PolarHBondContact OD1-N 3.12Å; D467-Q470 VanDerWaalsContact OD1-N 3.16Å; D467-Q470 VanDerWaalsContact OD2-CD 3.31Å; D467-Q470 WeakPolarHBondContact OD2-CG 3.46Å; D467-Q470 PolarHBondContact OD2-NE2 3.06Å; Q470-Q472 VanDerWaalsContact C-N 3.29Å; Q470-Q472 HydrophobicContact CB-CB 4.2Å; Q470-Q472 HydrophobicContact CB-CG 4.45Å; Q470-Q472 WeakPolarHBondContact O-CG 3.25Å; Q470-Q472 PolarHBondContact O-N 3.14Å
471	D	95.6	Very high	96.7	Very high	63 Å²	63	54.9 Å²	54.9	34%	0.337	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	47.3	-171.6	-165.7	18.3	0	0	0	111.1	Q429 Y466 D467	Q429-D471 WeakPolarHBondContact CB-O 3.21Å; Q429-D471 WeakPolarHBondContact CB-OD1 3.49Å; Q429-D471 WeakPolarHBondContact CG-O 3.22Å; Q429-D471 PolarHBondContact N-OD1 2.93Å; Y466-D471 PolarHBondContact OH-OD1 2.88Å; D467-D471 WeakPolarHBondContact O-CA 3.41Å; D467-D471 PolarHBondContact O-N 2.95Å
472	Q	96.3	Very high	96.6	Very high	101 Å²	101	56.8 Å²	56.8	47%	0.472	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	149.5	-172.4	-78	177.9	46.4	0	0	113.1	Y466 D467 Q470	Y466-Q472 WeakPolarHBondContact CA-O 3.41Å; Y466-Q472 WeakPolarHBondContact CD2-O 3.34Å; D467-Q472 PolarHBondContact N-O 2.94Å; D467-Q472 PolarHBondContact O-N 2.93Å; Q470-Q472 VanDerWaalsContact C-N 3.29Å; Q470-Q472 HydrophobicContact CB-CB 4.2Å; Q470-Q472 HydrophobicContact CB-CG 4.45Å; Q470-Q472 WeakPolarHBondContact O-CG 3.25Å; Q470-Q472 PolarHBondContact O-N 3.14Å
473	W	97.1	Very high	96.6	Very high	36 Å²	36	54.4 Å²	54.4	14%	0.136	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.8	174.1	-72	93.1	0	0	0	110.4	V402 V415 Q429 F431 V449 M464 V465 Y466	V402-W473 HydrophobicContact CG1-CH2 3.97Å; V402-W473 HydrophobicContact CG1-CZ2 4.03Å; V402-W473 HydrophobicContact CG2-CH2 4.06Å; V402-W473 HydrophobicContact CG2-CZ2 4.08Å; V415-W473 HydrophobicContact CG2-CZ2 3.92Å; Q429-W473 PolarHBondContact O-NE1 3.31Å; F431-W473 HydrophobicContact CD2-CD2 4.07Å; F431-W473 AromaticContact CD2-CE2 3.64Å; F431-W473 HydrophobicContact CD2-CE3 4.34Å; F431-W473 AromaticContact CD2-CH2 3.94Å; F431-W473 HydrophobicContact CD2-CH2 3.94Å; F431-W473 AromaticContact CD2-CZ2 3.59Å; F431-W473 HydrophobicContact CD2-CZ2 3.59Å; F431-W473 HydrophobicContact CD2-CZ3 4.28Å; F431-W473 HydrophobicContact CE1-CE3 4.34Å; F431-W473 AromaticContact CE2-CD2 3.79Å; F431-W473 HydrophobicContact CE2-CD2 3.79Å; F431-W473 AromaticContact CE2-CE2 3.64Å; F431-W473 AromaticContact CE2-CE3 3.6Å; F431-W473 HydrophobicContact CE2-CE3 3.6Å; F431-W473 AromaticContact CE2-CH2 3.2Å; F431-W473 HydrophobicContact CE2-CH2 3.2Å; F431-W473 AromaticContact CE2-CZ2 3.37Å; F431-W473 HydrophobicContact CE2-CZ2 3.37Å; F431-W473 AromaticContact CE2-CZ3 3.3Å; F431-W473 HydrophobicContact CE2-CZ3 3.3Å; F431-W473 HydrophobicContact CZ-CD2 4.04Å; F431-W473 AromaticContact CZ-CE3 3.58Å; F431-W473 HydrophobicContact CZ-CE3 3.58Å; F431-W473 AromaticContact CZ-CH2 3.95Å; F431-W473 HydrophobicContact CZ-CH2 3.95Å; F431-W473 HydrophobicContact CZ-CZ2 4.34Å; F431-W473 AromaticContact CZ-CZ3 3.53Å; F431-W473 HydrophobicContact CZ-CZ3 3.53Å; V449-W473 HydrophobicContact CB-CZ3 4.29Å; V449-W473 HydrophobicContact CG2-CH2 3.99Å; V449-W473 HydrophobicContact CG2-CZ3 4.09Å; M464-W473 HydrophobicContact CB-CE3 3.97Å; M464-W473 HydrophobicContact CB-CZ3 4.3Å; M464-W473 HydrophobicContact CE-CB 4.09Å; V465-W473 CarbonylContact O-C 3.56Å; V465-W473 WeakPolarHBondContact O-CA 3.43Å; Y466-W473 VanDerWaalsContact CB-CH2 3.41Å; Y466-W473 VanDerWaalsContact CB-CZ3 3.44Å; Y466-W473 AromaticContact CD2-CD1 3.88Å; Y466-W473 AromaticContact CD2-CD2 4Å; Y466-W473 HydrophobicContact CD2-CD2 4Å; Y466-W473 AromaticContact CD2-CE2 3.57Å; Y466-W473 HydrophobicContact CD2-CG 4.17Å; Y466-W473 AromaticContact CD2-CZ2 3.94Å; Y466-W473 HydrophobicContact CD2-CZ2 3.94Å; Y466-W473 AromaticContact CD2-NE1 3.51Å; Y466-W473 HydrophobicContact CG-CD2 4.32Å; Y466-W473 AromaticContact CG-CE2 3.95Å; Y466-W473 HydrophobicContact CG-CH2 4.21Å; Y466-W473 AromaticContact CG-CZ2 3.9Å; Y466-W473 HydrophobicContact CG-CZ2 3.9Å
474	L	96.3	Very high	96.5	Very high	70 Å²	70	54.4 Å²	54.4	37%	0.366	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137	176.1	-58	171.1	0	0	0	109.7	M464 V465	M464-L474 CarbonylContact C-O 3.55Å; M464-L474 WeakPolarHBondContact CA-O 3.47Å; V465-L474 HydrophobicContact CG1-CB 3.78Å; V465-L474 PolarHBondContact N-O 2.93Å; V465-L474 PolarHBondContact O-N 3.12Å
475	A	97.2	Very high	96.5	Very high	75 Å²	75	55.7 Å²	55.7	62%	0.62	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	143.6	173.5	0	0	0	0	0	110.7	M464	M464-A475 HydrophobicContact CE-CB 4.25Å; M464-A475 HydrophobicContact SD-CB 3.74Å
476	R	97.9	Very high	96.5	Very high	93 Å²	93	56.1 Å²	56.1	35%	0.351	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	173.2	176.5	-65	-67	-173.9	-177.6	-0.3	110.4	W448 L463 V465 D523	W448-R476 HydrophobicContact CH2-CG 4.27Å; W448-R476 HydrophobicContact CZ3-CB 4.41Å; W448-R476 HydrophobicContact CZ3-CG 3.76Å; L463-R476 HydrophobicContact CB-CB 4.2Å; L463-R476 HydrophobicContact CD2-CB 3.76Å; L463-R476 HydrophobicContact CG-CB 3.96Å; L463-R476 PolarHBondContact O-N 2.8Å; V465-R476 HydrophobicContact CG1-CG 4.05Å; R476-D523 WeakPolarHBondContact CD-OD2 3.45Å; R476-D523 IonicContact NH1-OD2 3.43Å
477	S	98.3	Very high	96.5	Very high	45 Å²	45	56.7 Å²	56.7	32%	0.315	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-52.9	129.2	178.4	-74.2	0	0	0	0	110.8	L463 D523 W525	L463-S477 WeakPolarHBondContact CB-O 3.16Å; S477-D523 WeakPolarHBondContact CB-O 3.15Å; S477-D523 WeakPolarHBondContact CB-OD1 3.48Å; S477-D523 PolarHBondContact N-OD1 3.27Å; S477-D523 PolarHBondContact OG-O 2.98Å; S477-D523 PolarHBondContact OG-OD1 2.95Å; S477-D523 VanDerWaalsContact OG-OD1 3.12Å; S477-W525 PolarHBondContact O-NE1 2.94Å
478	P	98.2	Very high	96.6	Very high	71 Å²	71	55.7 Å²	55.7	46%	0.461	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-71.4	151.4	-175.8	30.5	-35.6	0	0	0	111.3	N461 W525	N461-P478 CarbonylContact O-C 3.5Å; N461-P478 WeakPolarHBondContact O-CA 3.42Å; P478-W525 PolarHBondContact O-NE1 2.84Å
479	M	98.1	Very high	96.8	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-56	149.9	173.8	-64.6	-173.2	-63.3	0	0	111.5	N461 Q481 R483 V497 W525	N461-M479 HydrophobicContact CB-CB 4.12Å; N461-M479 HydrophobicContact CB-CE 4.46Å; N461-M479 PolarHBondContact ND2-O 2.91Å; N461-M479 WeakPolarHBondContact O-CB 3.36Å; N461-M479 PolarHBondContact O-N 2.84Å; M479-Q481 WeakPolarHBondContact CB-O 3.41Å; M479-Q481 PolarHBondContact O-N 2.91Å; M479-R483 HydrophobicContact CE-CB 4.2Å; M479-R483 HydrophobicContact CE-CG 4.41Å; M479-V497 HydrophobicContact SD-CB 4.38Å; M479-V497 HydrophobicContact SD-CG1 3.95Å; M479-V497 HydrophobicContact SD-CG2 4.13Å; M479-W525 HydrophobicContact CB-CZ2 4.42Å; M479-W525 HydrophobicContact CG-CD2 4.36Å; M479-W525 HydrophobicContact CG-CH2 3.85Å; M479-W525 HydrophobicContact CG-CZ2 3.43Å; M479-W525 VanDerWaalsContact CG-CZ2 3.43Å; M479-W525 HydrophobicContact CG-CZ3 4.45Å; M479-W525 HydrophobicContact SD-CH2 4.42Å; M479-W525 HydrophobicContact SD-CZ2 4.48Å
480	L	97.1	Very high	97	Very high	92 Å²	92	46.9 Å²	46.9	48%	0.482	24%	0.244	S	C	.	.	S	Bend	trans	-61.4	-24.2	178.3	-57.7	-179.8	0	0	0	113.4	W525 R527	L480-W525 HydrophobicContact CD1-CB 4.26Å; L480-W525 HydrophobicContact CD2-CB 3.78Å; L480-W525 HydrophobicContact CG-CB 3.71Å; L480-R527 HydrophobicContact CD1-CB 4.08Å
481	Q	94.6	Very high	97.1	Very high	36 Å²	36	42 Å²	42	17%	0.168	22%	0.222	C	C	.	.	S	Bend	trans	-145.1	155.8	177.6	66.6	-164.4	-34.8	0	0	110.2	M479 R483 V512 D516	M479-Q481 WeakPolarHBondContact CB-O 3.41Å; M479-Q481 PolarHBondContact O-N 2.91Å; Q481-R483 HydrophobicContact CG-CG 4.14Å; Q481-V512 VanDerWaalsContact NE2-CG1 3.26Å; Q481-D516 PolarHBondContact NE2-OD2 2.96Å
482	R	95.8	Very high	96.9	Very high	95 Å²	95	45 Å²	45	36%	0.358	23%	0.229	S	C	.	.			trans	-75.1	147.7	175.7	-55.1	168.6	-59.3	-175.9	2	108.8	Y459 Q460 N461 D502 L503	Y459-R482 WeakPolarHBondContact O-CD 3.37Å; Q460-R482 WeakPolarHBondContact O-CA 3.18Å; N461-R482 HydrophobicContact CB-CB 4.39Å; N461-R482 HydrophobicContact CB-CG 3.96Å; R482-D502 IonicContact CZ-OD1 2.88Å; R482-D502 IonicContact NE-OD1 3.05Å; R482-D502 PolarHBondContact NE-OD1 3.25Å; R482-D502 VanDerWaalsContact NE-OD1 3.14Å; R482-D502 IonicContact NE-OD2 2.62Å; R482-D502 IonicContact NH2-OD1 3.78Å; R482-D502 PolarHBondContact NH2-OD1 3Å; R482-D502 VanDerWaalsContact NH2-OD1 3.12Å; R482-D502 IonicContact NH2-OD2 3.14Å; R482-D502 WeakPolarHBondContact O-CB 3.42Å; R482-D502 VanDerWaalsContact O-CG 3.27Å; R482-L503 PolarHBondContact NH2-O 3.03Å
483	R	96.1	Very high	96.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.225	C	C	.	.			trans	-146.6	141.6	178.8	-60.2	-174.4	-174	-135.3	11.7	111.1	G452 Q460 M479 Q481 H486 V497 G499 H514 D516	G452-R483 PolarHBondContact N-O 2.85Å; Q460-R483 PolarHBondContact O-N 2.99Å; M479-R483 HydrophobicContact CE-CB 4.2Å; M479-R483 HydrophobicContact CE-CG 4.41Å; Q481-R483 HydrophobicContact CG-CG 4.14Å; R483-H486 HydrophobicContact CB-CB 4.09Å; R483-H486 VanDerWaalsContact CB-ND1 3.35Å; R483-H486 WeakPolarHBondContact CB-ND1 3.34Å; R483-V497 PolarHBondContact NH1-O 3.21Å; R483-G499 PolarHBondContact NH1-O 2.82Å; R483-H514 PolarHBondContact NH1-O 3.28Å; R483-H514 VanDerWaalsContact NH1-O 3.08Å; R483-H514 PolarHBondContact NH2-O 2.58Å; R483-D516 IonicContact CZ-OD2 3.46Å; R483-D516 IonicContact NE-OD2 3.14Å; R483-D516 VanDerWaalsContact NH2-CG 3.34Å; R483-D516 IonicContact NH2-OD2 3.12Å; R483-D516 PolarHBondContact NH2-OD2 2.82Å
484	V	96.8	Very high	96.9	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-128.5	154.1	165.2	-56.6	0	0	0	0	109.6	C437 V453 Y459 H486 G500 N501	C437-V484 HydrophobicContact CB-CB 4.32Å; C437-V484 WeakPolarHBondContact O-CA 3.08Å; V453-V484 HydrophobicContact CB-CG1 4.12Å; Y459-V484 HydrophobicContact CD1-CG1 3.84Å; Y459-V484 HydrophobicContact CD2-CG1 3.73Å; Y459-V484 HydrophobicContact CD2-CG2 4.05Å; Y459-V484 HydrophobicContact CE1-CG1 4Å; Y459-V484 HydrophobicContact CE1-CG2 4.29Å; Y459-V484 HydrophobicContact CE2-CB 4.32Å; Y459-V484 HydrophobicContact CE2-CG1 3.88Å; Y459-V484 HydrophobicContact CE2-CG2 3.4Å; Y459-V484 VanDerWaalsContact CE2-CG2 3.4Å; Y459-V484 HydrophobicContact CG-CG1 3.7Å; V484-H486 PolarHBondContact O-N 2.88Å; V484-G500 CarbonylContact O-C 3.55Å; V484-G500 WeakPolarHBondContact O-CA 3.02Å; V484-N501 WeakPolarHBondContact CG2-ND2 3.49Å; V484-N501 WeakPolarHBondContact CG2-O 3.27Å; V484-N501 PolarHBondContact N-O 2.7Å; V484-N501 PolarHBondContact O-N 2.82Å
485	Y	97.1	Very high	97	Very high	41 Å²	41	42.5 Å²	42.5	16%	0.161	21%	0.212	C	C	.	.	S	Bend	trans	55.5	20	-179	-57.5	-70.2	0	0	0	114.1	H389 C437 N501 E538	H389-Y485 AromaticContact CE1-CE1 3.64Å; H389-Y485 AromaticContact ND1-CE1 3.66Å; C437-Y485 HydrophobicContact CB-CD1 3.68Å; C437-Y485 HydrophobicContact CB-CD2 4.36Å; C437-Y485 HydrophobicContact CB-CE1 3.6Å; C437-Y485 HydrophobicContact CB-CE2 4.28Å; C437-Y485 HydrophobicContact CB-CG 4.08Å; C437-Y485 PolarHBondContact O-N 3.27Å; C437-Y485 WeakPolarHBondContact SG-CE1 3.39Å; C437-Y485 PolarHBondContact SG-OH 3.05Å; C437-Y485 VanDerWaalsContact SG-OH 3.4Å; Y485-N501 WeakPolarHBondContact CD2-OD1 3.28Å; Y485-E538 HydrophobicContact CD1-CG 3.66Å; Y485-E538 HydrophobicContact CE1-CG 4.27Å; Y485-E538 HydrophobicContact CG-CG 3.96Å; Y485-E538 PolarHBondContact O-N 2.94Å
486	H	97.7	Very high	97	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.046	19%	0.187	C	C	.	.			trans	-80.5	171.4	170.5	64.2	-67.3	0	0	0	110.3	A439 S450 R483 V484 L498 G499	A439-H486 VanDerWaalsContact CB-CD2 3.41Å; A439-H486 WeakPolarHBondContact CB-CD2 3.43Å; A439-H486 VanDerWaalsContact CB-NE2 3.29Å; A439-H486 WeakPolarHBondContact CB-NE2 3.41Å; A439-H486 WeakPolarHBondContact CB-O 3.49Å; S450-H486 PolarHBondContact O-CE1 2.91Å; S450-H486 PolarHBondContact O-NE2 3.2Å; S450-H486 PolarHBondContact OG-NE2 2.85Å; R483-H486 HydrophobicContact CB-CB 4.09Å; R483-H486 VanDerWaalsContact CB-ND1 3.35Å; R483-H486 WeakPolarHBondContact CB-ND1 3.34Å; V484-H486 PolarHBondContact O-N 2.88Å; H486-L498 WeakPolarHBondContact CB-O 3.46Å; H486-G499 WeakPolarHBondContact CB-O 3.28Å
487	V	98.2	Very high	97	Very high	13 Å²	13	35.8 Å²	35.8	8%	0.079	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	158.3	171.7	-64	0	0	0	0	110.4	V497 L498 S539 V541 V550	V487-V497 WeakPolarHBondContact O-CA 3.23Å; V487-L498 HydrophobicContact CG2-CB 3.93Å; V487-L498 HydrophobicContact CG2-CD1 4.15Å; V487-L498 WeakPolarHBondContact CG2-O 3.46Å; V487-L498 PolarHBondContact N-O 2.81Å; V487-L498 PolarHBondContact O-N 3.09Å; V487-S539 WeakPolarHBondContact CG1-O 3.49Å; V487-V541 HydrophobicContact CB-CB 3.71Å; V487-V541 HydrophobicContact CB-CG1 3.78Å; V487-V541 HydrophobicContact CB-CG2 4.31Å; V487-V541 HydrophobicContact CG1-CB 4.02Å; V487-V541 HydrophobicContact CG1-CG1 4.15Å; V487-V541 HydrophobicContact CG2-CB 3.93Å; V487-V541 HydrophobicContact CG2-CG1 4.49Å; V487-V541 HydrophobicContact CG2-CG2 4.12Å; V487-V550 HydrophobicContact CG2-CG1 4.07Å
488	M	98.3	Very high	97	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.015	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.9	177	-168.4	169	81.4	0	0	109.9	A439 C441 W448 S450 L495 Y496 V497	A439-M488 HydrophobicContact CB-CB 3.71Å; C441-M488 HydrophobicContact CB-CE 4.29Å; C441-M488 WeakPolarHBondContact SG-CE 3.35Å; W448-M488 HydrophobicContact CB-CE 3.45Å; W448-M488 VanDerWaalsContact CB-CE 3.45Å; W448-M488 VanDerWaalsContact O-CE 3.31Å; W448-M488 WeakPolarHBondContact O-CE 3.42Å; S450-M488 PolarHBondContact OG-SD 2.84Å; S450-M488 VanDerWaalsContact OG-SD 3.35Å; M488-L495 HydrophobicContact CE-CD1 4.43Å; M488-L495 HydrophobicContact CE-CD2 4.49Å; M488-L495 HydrophobicContact SD-CD1 4.32Å; M488-Y496 VanDerWaalsContact CA-O 3.26Å; M488-Y496 WeakPolarHBondContact CA-O 3.41Å; M488-V497 HydrophobicContact CB-CG1 4.28Å; M488-V497 HydrophobicContact CG-CG1 3.93Å; M488-V497 HydrophobicContact SD-CG1 4.06Å
489	A	98.1	Very high	96.9	Very high	3 Å²	3	30.4 Å²	30.4	3%	0.025	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	151.2	178.7	0	0	0	0	0	110	L495 Y496 V541 V543 I548	A489-L495 CarbonylContact O-C 3.55Å; A489-L495 WeakPolarHBondContact O-CA 3.46Å; A489-Y496 PolarHBondContact N-O 3.33Å; A489-Y496 PolarHBondContact O-N 3.17Å; A489-V541 HydrophobicContact CB-CG2 3.95Å; A489-V543 HydrophobicContact CB-CG2 3.66Å; A489-I548 HydrophobicContact CB-CB 4.47Å; A489-I548 HydrophobicContact CB-CD1 3.77Å; A489-I548 HydrophobicContact CB-CG1 3.91Å; A489-I548 HydrophobicContact CB-CG2 3.71Å
490	A	97.7	Very high	96.8	Very high	26 Å²	26	30.4 Å²	30.4	22%	0.215	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129	175.9	0	0	0	0	0	110	A443 Q494 L495 M520	A443-A490 HydrophobicContact CB-CB 3.67Å; A490-Q494 WeakPolarHBondContact CA-O 3.38Å; A490-L495 HydrophobicContact CB-CD2 3.82Å; A490-M520 HydrophobicContact CB-CE 4.21Å
491	V	96.6	Very high	96.6	Very high	6 Å²	6	26 Å²	26	4%	0.036	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	129.8	174.6	176.5	0	0	0	0	107.6	R493 Q494 Y496 V543 D546 I548 L570	V491-R493 PolarHBondContact O-N 2.82Å; V491-Q494 PolarHBondContact N-O 3.33Å; V491-Q494 WeakPolarHBondContact O-CA 3.31Å; V491-Q494 WeakPolarHBondContact O-CB 3.25Å; V491-Q494 PolarHBondContact O-N 3.25Å; V491-Y496 HydrophobicContact CB-CE2 4.11Å; V491-V543 HydrophobicContact CG2-CG1 3.63Å; V491-D546 HydrophobicContact CG1-CB 4.19Å; V491-D546 WeakPolarHBondContact CG1-OD1 3.44Å; V491-I548 HydrophobicContact CG2-CD1 3.86Å; V491-I548 HydrophobicContact CG2-CG1 3.71Å; V491-L570 HydrophobicContact CB-CD1 3.84Å; V491-L570 HydrophobicContact CG1-CB 4.32Å; V491-L570 HydrophobicContact CG1-CD1 3.85Å; V491-L570 HydrophobicContact CG2-CD1 4.03Å
492	R	92.9	Very high	96.6	Very high	127 Å²	127	25.1 Å²	25.1	48%	0.479	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	52.2	176.6	-60.5	176.4	-176.1	176.1	-1	114.3	Q494 D546 L570 S571	R492-Q494 PolarHBondContact O-N 3.33Å; R492-Q494 VanDerWaalsContact O-N 3.09Å; R492-D546 IonicContact CZ-OD2 2.95Å; R492-D546 VanDerWaalsContact CZ-OD2 3.27Å; R492-D546 IonicContact NE-OD1 2.7Å; R492-D546 IonicContact NE-OD2 3.28Å; R492-D546 PolarHBondContact NE-OD2 2.75Å; R492-D546 VanDerWaalsContact NE-OD2 3.07Å; R492-D546 IonicContact NH2-OD2 3.5Å; R492-D546 PolarHBondContact NH2-OD2 3.1Å; R492-L570 VanDerWaalsContact CZ-O 3.31Å; R492-L570 PolarHBondContact NH1-O 3.17Å; R492-L570 VanDerWaalsContact NH1-O 3.08Å; R492-L570 PolarHBondContact NH2-O 2.91Å; R492-S571 PolarHBondContact NH2-O 2.81Å
493	R	94.4	Very high	96.5	Very high	105 Å²	105	21.8 Å²	21.8	40%	0.396	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	22.6	-177.5	-58.1	177.7	59.9	67.5	9	114.8	D444 V491 M520 D521	D444-R493 IonicContact OD1-NH1 3.68Å; D444-R493 PolarHBondContact OD1-NH1 2.85Å; D444-R493 VanDerWaalsContact OD1-NH1 3.11Å; D444-R493 IonicContact OD2-CZ 2.77Å; D444-R493 IonicContact OD2-NH1 3.76Å; D444-R493 PolarHBondContact OD2-NH1 2.76Å; D444-R493 IonicContact OD2-NH2 3.64Å; V491-R493 PolarHBondContact O-N 2.82Å; R493-M520 VanDerWaalsContact C-CE 3.45Å; R493-M520 HydrophobicContact CB-SD 4.22Å; R493-M520 WeakPolarHBondContact O-CB 3.23Å; R493-M520 VanDerWaalsContact O-CG 3.23Å; R493-M520 WeakPolarHBondContact O-CG 3.23Å; R493-M520 PolarHBondContact O-N 2.82Å; R493-D521 IonicContact CZ-OD1 3.23Å; R493-D521 VanDerWaalsContact CZ-OD1 3.28Å; R493-D521 IonicContact NE-OD1 3.21Å; R493-D521 PolarHBondContact NE-OD1 3.44Å; R493-D521 IonicContact NE-OD2 3.89Å; R493-D521 IonicContact NH2-OD1 3.81Å; R493-D521 PolarHBondContact NH2-OD1 2.88Å
494	Q	96.9	Very high	96.2	Very high	48 Å²	48	23.9 Å²	23.9	22%	0.224	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.7	172.7	-61.3	-74.1	-25.2	0	0	109.1	A490 V491 R492 Y496 Y518 S519	A490-Q494 WeakPolarHBondContact CA-O 3.38Å; V491-Q494 PolarHBondContact N-O 3.33Å; V491-Q494 WeakPolarHBondContact O-CA 3.31Å; V491-Q494 WeakPolarHBondContact O-CB 3.25Å; V491-Q494 PolarHBondContact O-N 3.25Å; R492-Q494 PolarHBondContact O-N 3.33Å; R492-Q494 VanDerWaalsContact O-N 3.09Å; Q494-Y496 HydrophobicContact CB-CD2 4.38Å; Q494-Y496 HydrophobicContact CB-CE2 3.61Å; Q494-Y518 CarbonylContact C-O 3.59Å; Q494-Y518 VanDerWaalsContact CA-O 3.32Å; Q494-Y518 WeakPolarHBondContact CA-O 3.49Å; Q494-Y518 PolarHBondContact OE1-O 3.39Å; Q494-Y518 VanDerWaalsContact OE1-O 3.09Å; Q494-S519 VanDerWaalsContact OE1-N 3.12Å
495	L	98.5	Very high	95.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.9	169.7	-59.6	177	0	0	0	109.2	C441 A443 W448 L463 M488 A489 A490 S517 Y518 M520	C441-L495 VanDerWaalsContact SG-CD2 3.57Å; A443-L495 HydrophobicContact CB-CD2 4.37Å; W448-L495 HydrophobicContact CB-CD1 4.07Å; W448-L495 HydrophobicContact CD2-CD1 3.7Å; W448-L495 HydrophobicContact CE3-CD1 3.54Å; W448-L495 HydrophobicContact CG-CD1 3.93Å; W448-L495 HydrophobicContact CG-CD2 4.46Å; W448-L495 HydrophobicContact CZ3-CD1 4.14Å; L463-L495 HydrophobicContact CD1-CD1 4.26Å; L463-L495 HydrophobicContact CD2-CD1 4.46Å; M488-L495 HydrophobicContact CE-CD1 4.43Å; M488-L495 HydrophobicContact CE-CD2 4.49Å; M488-L495 HydrophobicContact SD-CD1 4.32Å; A489-L495 CarbonylContact O-C 3.55Å; A489-L495 WeakPolarHBondContact O-CA 3.46Å; A490-L495 HydrophobicContact CB-CD2 3.82Å; L495-S517 CarbonylContact O-C 3.59Å; L495-S517 WeakPolarHBondContact O-CA 3.38Å; L495-Y518 HydrophobicContact CB-CD1 4.26Å; L495-Y518 HydrophobicContact CD1-CD1 3.78Å; L495-Y518 HydrophobicContact CD1-CE1 4.26Å; L495-Y518 HydrophobicContact CG-CD1 4.1Å; L495-Y518 PolarHBondContact N-O 3.1Å; L495-Y518 PolarHBondContact O-N 3.25Å; L495-M520 HydrophobicContact CD2-CE 3.45Å; L495-M520 VanDerWaalsContact CD2-CE 3.45Å; L495-M520 HydrophobicContact CG-CE 3.66Å; L495-M520 HydrophobicContact CG-CG 4.43Å
496	Y	98.4	Very high	95.5	Very high	28 Å²	28	36.1 Å²	36.1	11%	0.11	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.1	175	-65.9	-92.9	0	0	0	109.3	M488 A489 V491 Q494 I515 D516 I548 L568 L570	M488-Y496 VanDerWaalsContact CA-O 3.26Å; M488-Y496 WeakPolarHBondContact CA-O 3.41Å; A489-Y496 PolarHBondContact N-O 3.33Å; A489-Y496 PolarHBondContact O-N 3.17Å; V491-Y496 HydrophobicContact CB-CE2 4.11Å; Q494-Y496 HydrophobicContact CB-CD2 4.38Å; Q494-Y496 HydrophobicContact CB-CE2 3.61Å; Y496-I515 HydrophobicContact CD1-CG2 4.08Å; Y496-D516 WeakPolarHBondContact CA-O 3.22Å; Y496-I548 HydrophobicContact CD2-CD1 3.74Å; Y496-I548 HydrophobicContact CE2-CD1 4.49Å; Y496-I548 HydrophobicContact CG-CD1 3.86Å; Y496-L568 HydrophobicContact CD1-CD2 4.33Å; Y496-L570 HydrophobicContact CD2-CD1 4.08Å; Y496-L570 HydrophobicContact CE1-CD1 4.13Å; Y496-L570 HydrophobicContact CE1-CD2 4.26Å; Y496-L570 HydrophobicContact CE2-CD1 3.48Å; Y496-L570 VanDerWaalsContact CE2-CD1 3.48Å
497	V	98.1	Very high	95	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.6	171.5	-67	0	0	0	0	110.3	M479 R483 V487 M488 D516 W525	M479-V497 HydrophobicContact SD-CB 4.38Å; M479-V497 HydrophobicContact SD-CG1 3.95Å; M479-V497 HydrophobicContact SD-CG2 4.13Å; R483-V497 PolarHBondContact NH1-O 3.21Å; V487-V497 WeakPolarHBondContact O-CA 3.23Å; M488-V497 HydrophobicContact CB-CG1 4.28Å; M488-V497 HydrophobicContact CG-CG1 3.93Å; M488-V497 HydrophobicContact SD-CG1 4.06Å; V497-D516 HydrophobicContact CG2-CB 3.74Å; V497-D516 PolarHBondContact N-O 2.83Å; V497-D516 PolarHBondContact O-N 2.96Å; V497-W525 HydrophobicContact CB-CZ3 4.46Å; V497-W525 HydrophobicContact CG1-CH2 3.72Å; V497-W525 HydrophobicContact CG1-CZ3 4.09Å; V497-W525 HydrophobicContact CG2-CE3 4.48Å; V497-W525 HydrophobicContact CG2-CH2 4.07Å; V497-W525 HydrophobicContact CG2-CZ3 3.63Å
498	L	97.6	Very high	94.6	Very high	1 Å²	1	45 Å²	45	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.6	-171	-45.7	97.4	0	0	0	110.7	H486 V487 I515 L532 I548 V550 L568	H486-L498 WeakPolarHBondContact CB-O 3.46Å; V487-L498 HydrophobicContact CG2-CB 3.93Å; V487-L498 HydrophobicContact CG2-CD1 4.15Å; V487-L498 WeakPolarHBondContact CG2-O 3.46Å; V487-L498 PolarHBondContact N-O 2.81Å; V487-L498 PolarHBondContact O-N 3.09Å; L498-I515 HydrophobicContact CD2-CD1 4.07Å; L498-I515 HydrophobicContact CD2-CG1 4.13Å; L498-I515 HydrophobicContact CD2-CG2 4.37Å; L498-I515 HydrophobicContact CG-CG1 4.41Å; L498-I515 HydrophobicContact CG-CG2 4.35Å; L498-L532 HydrophobicContact CB-CD1 4.25Å; L498-L532 HydrophobicContact CD2-CD2 4.26Å; L498-I548 HydrophobicContact CD1-CG2 4.13Å; L498-I548 HydrophobicContact CD2-CG2 4.44Å; L498-V550 HydrophobicContact CB-CG2 4.36Å; L498-V550 HydrophobicContact CD2-CG2 4Å; L498-L568 HydrophobicContact CD2-CD2 3.99Å
499	G	95.8	Very high	94.3	Very high	2 Å²	2	51.9 Å²	51.9	2%	0.021	24%	0.236	C	C	.	.			trans	66.9	-153.3	175.4	0	0	0	0	0	113.8	R483 H486 V512 Q536	R483-G499 PolarHBondContact NH1-O 2.82Å; H486-G499 WeakPolarHBondContact CB-O 3.28Å; G499-V512 CarbonylContact C-O 3.53Å; G499-V512 VanDerWaalsContact CA-O 3.25Å; G499-V512 WeakPolarHBondContact CA-O 3.46Å; G499-Q536 WeakPolarHBondContact CA-O 3.5Å
500	G	95.7	Very high	94	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.01	25%	0.251	C	S	.	.			trans	82.8	-168.1	-176.1	0	0	0	0	0	113.1	V484 V512 Q536	V484-G500 CarbonylContact O-C 3.55Å; V484-G500 WeakPolarHBondContact O-CA 3.02Å; G500-V512 PolarHBondContact O-N 2.97Å; G500-Q536 PolarHBondContact N-O 3.13Å
501	N	94.3	Very high	93.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	153.5	177.3	59.8	-92	0	0	0	112.6	V484 Y485 I510 L511 N537	V484-N501 WeakPolarHBondContact CG2-ND2 3.49Å; V484-N501 WeakPolarHBondContact CG2-O 3.27Å; V484-N501 PolarHBondContact N-O 2.7Å; V484-N501 PolarHBondContact O-N 2.82Å; Y485-N501 WeakPolarHBondContact CD2-OD1 3.28Å; N501-I510 CarbonylContact C-O 3.53Å; N501-I510 WeakPolarHBondContact CA-O 3.42Å; N501-I510 WeakPolarHBondContact CB-O 3.45Å; N501-L511 HydrophobicContact CB-CD2 4.32Å; N501-N537 PolarHBondContact OD1-ND2 3.33Å
502	D	94.6	Very high	93.6	Very high	18 Å²	18	54.7 Å²	54.7	10%	0.096	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	-178.7	169.1	-160.9	-2.1	0	0	0	109	R482 R509 I510 V512	R482-D502 IonicContact CZ-OD1 2.88Å; R482-D502 IonicContact NE-OD1 3.05Å; R482-D502 PolarHBondContact NE-OD1 3.25Å; R482-D502 VanDerWaalsContact NE-OD1 3.14Å; R482-D502 IonicContact NE-OD2 2.62Å; R482-D502 IonicContact NH2-OD1 3.78Å; R482-D502 PolarHBondContact NH2-OD1 3Å; R482-D502 VanDerWaalsContact NH2-OD1 3.12Å; R482-D502 IonicContact NH2-OD2 3.14Å; R482-D502 WeakPolarHBondContact O-CB 3.42Å; R482-D502 VanDerWaalsContact O-CG 3.27Å; D502-R509 WeakPolarHBondContact O-CA 3.47Å; D502-I510 HydrophobicContact CB-CD1 4.43Å; D502-I510 HydrophobicContact CB-CG1 4.15Å; D502-I510 PolarHBondContact N-O 2.9Å; D502-I510 PolarHBondContact O-N 3.2Å; D502-V512 HydrophobicContact CB-CG2 4.14Å
503	L	92.8	Very high	93.7	Very high	24 Å²	24	54.4 Å²	54.4	13%	0.126	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.1	171.2	-59.7	170.1	0	0	0	109.1	Y459 R482 N507 D508 R509	Y459-L503 HydrophobicContact CD1-CD1 4.12Å; Y459-L503 HydrophobicContact CD2-CD1 4.07Å; Y459-L503 HydrophobicContact CD2-CG 3.87Å; Y459-L503 HydrophobicContact CE1-CD1 4.02Å; Y459-L503 HydrophobicContact CE1-CG 4.49Å; Y459-L503 HydrophobicContact CE2-CD1 3.97Å; Y459-L503 HydrophobicContact CE2-CD2 4.09Å; Y459-L503 HydrophobicContact CE2-CG 3.58Å; Y459-L503 HydrophobicContact CG-CD1 4.15Å; Y459-L503 HydrophobicContact CG-CG 4.45Å; R482-L503 PolarHBondContact NH2-O 3.03Å; L503-N507 WeakPolarHBondContact CD1-OD1 3.02Å; L503-D508 VanDerWaalsContact CA-O 3.31Å; L503-D508 WeakPolarHBondContact CA-O 3.47Å; L503-R509 HydrophobicContact CD2-CG 3.92Å
504	D	89.1	Confident	93.7	Very high	44 Å²	44	53.3 Å²	53.3	24%	0.235	25%	0.245	C	C	.	.			trans	-76.3	-172.4	172.6	78.5	-3.1	0	0	0	112.1	N506 N507 D508 I510	D504-N506 PolarHBondContact O-N 3.24Å; D504-N506 WeakPolarHBondContact OD1-CA 3.25Å; D504-N506 WeakPolarHBondContact OD1-CB 3.19Å; D504-N506 PolarHBondContact OD1-N 2.91Å; D504-N507 PolarHBondContact O-N 3.3Å; D504-N507 PolarHBondContact OD1-N 2.59Å; D504-D508 PolarHBondContact N-O 2.99Å; D504-D508 WeakPolarHBondContact OD1-CB 3.42Å; D504-D508 PolarHBondContact OD1-N 2.9Å; D504-I510 HydrophobicContact CB-CD1 4.39Å; D504-I510 HydrophobicContact CB-CG2 4.07Å
505	Y	87.4	Confident	93.7	Very high	208 Å²	208	51 Å²	51	82%	0.816	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.2	179.8	62.3	-87	0	0	0	113.6	N507	Y505-N507 VanDerWaalsContact C-N 3.31Å
506	N	91.7	Very high	93.7	Very high	92 Å²	92	51 Å²	51	49%	0.492	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1.6	174.7	-64.6	-38.5	0	0	0	112.4	D504 D508	D504-N506 PolarHBondContact O-N 3.24Å; D504-N506 WeakPolarHBondContact OD1-CA 3.25Å; D504-N506 WeakPolarHBondContact OD1-CB 3.19Å; D504-N506 PolarHBondContact OD1-N 2.91Å; N506-D508 PolarHBondContact O-N 3.4Å
507	N	88.7	Confident	93.7	Very high	116 Å²	116	50.4 Å²	50.4	62%	0.62	23%	0.234	S	C	*	.	S	Bend	trans	67.5	23.1	-174.2	-154.9	63.6	0	0	0	113.1	L503 D504 Y505	L503-N507 WeakPolarHBondContact CD1-OD1 3.02Å; D504-N507 PolarHBondContact O-N 3.3Å; D504-N507 PolarHBondContact OD1-N 2.59Å; Y505-N507 VanDerWaalsContact C-N 3.31Å
508	D	90.3	Very high	93.7	Very high	94 Å²	94	50.4 Å²	50.4	50%	0.503	23%	0.234	S	C	.	.			trans	-85.1	144.5	172.6	-70.5	-40.8	0	0	0	110.6	L503 D504 N506 I510	L503-D508 VanDerWaalsContact CA-O 3.31Å; L503-D508 WeakPolarHBondContact CA-O 3.47Å; D504-D508 PolarHBondContact N-O 2.99Å; D504-D508 WeakPolarHBondContact OD1-CB 3.42Å; D504-D508 PolarHBondContact OD1-N 2.9Å; N506-D508 PolarHBondContact O-N 3.4Å; D508-I510 PolarHBondContact O-N 3.2Å
509	R	91	Very high	93.7	Very high	146 Å²	146	50.9 Å²	50.9	55%	0.551	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	127.5	-179.3	-66.7	-178.7	-178.4	-172.7	0.1	110.6	D502 L503 I556	D502-R509 WeakPolarHBondContact O-CA 3.47Å; L503-R509 HydrophobicContact CD2-CG 3.92Å; R509-I556 HydrophobicContact CB-CD1 3.91Å; R509-I556 WeakPolarHBondContact O-CD1 3.35Å
510	I	92.4	Very high	93.8	Very high	65 Å²	65	51.7 Å²	51.7	33%	0.333	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.4	175.6	58.1	169.1	0	0	0	110.8	N501 D502 D504 D508	N501-I510 CarbonylContact C-O 3.53Å; N501-I510 WeakPolarHBondContact CA-O 3.42Å; N501-I510 WeakPolarHBondContact CB-O 3.45Å; D502-I510 HydrophobicContact CB-CD1 4.43Å; D502-I510 HydrophobicContact CB-CG1 4.15Å; D502-I510 PolarHBondContact N-O 2.9Å; D502-I510 PolarHBondContact O-N 3.2Å; D504-I510 HydrophobicContact CB-CD1 4.39Å; D504-I510 HydrophobicContact CB-CG2 4.07Å; D508-I510 PolarHBondContact O-N 3.2Å
511	L	91.9	Very high	93.8	Very high	23 Å²	23	56.5 Å²	56.5	12%	0.12	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	135.1	173.4	-65.7	178	0	0	0	110.6	N501 G535 I556 W557	N501-L511 HydrophobicContact CB-CD2 4.32Å; L511-G535 WeakPolarHBondContact CD1-O 3.4Å; L511-I556 HydrophobicContact CD1-CG1 4Å; L511-I556 HydrophobicContact CD2-CD1 3.83Å; L511-I556 HydrophobicContact CD2-CG1 3.82Å; L511-I556 HydrophobicContact CD2-CG2 4.22Å; L511-I556 HydrophobicContact CG-CD1 3.74Å; L511-I556 HydrophobicContact CG-CG1 3.65Å; L511-W557 HydrophobicContact CD1-CG 4.47Å
512	V	93.6	Very high	94	Very high	6 Å²	6	62.5 Å²	62.5	4%	0.036	30%	0.297	C	S	.	.			trans	-96.7	107.4	178.7	-175.3	0	0	0	0	109.4	Q481 G499 G500 D502 H514	Q481-V512 VanDerWaalsContact NE2-CG1 3.26Å; G499-V512 CarbonylContact C-O 3.53Å; G499-V512 VanDerWaalsContact CA-O 3.25Å; G499-V512 WeakPolarHBondContact CA-O 3.46Å; G500-V512 PolarHBondContact O-N 2.97Å; D502-V512 HydrophobicContact CB-CG2 4.14Å; V512-H514 HydrophobicContact CG1-CB 4.48Å
513	R	93.7	Very high	94.1	Very high	121 Å²	121	63.8 Å²	63.8	46%	0.457	31%	0.305	S	S	.	.			trans	-87.8	-24.9	176.1	-69.8	-179.3	63.3	178.8	-3.9	113.5	S531 L532 L533	R513-S531 WeakPolarHBondContact O-CB 3.48Å; R513-L532 VanDerWaalsContact CZ-O 3.31Å; R513-L532 PolarHBondContact NE-O 2.92Å; R513-L532 PolarHBondContact NH2-O 2.93Å; R513-L532 PolarHBondContact O-N 2.9Å; R513-L533 VanDerWaalsContact CZ-O 3.29Å; R513-L533 VanDerWaalsContact NH2-C 3.34Å; R513-L533 PolarHBondContact NH2-O 3.1Å
514	H	95.4	Very high	94.4	Very high	83 Å²	83	67.9 Å²	67.9	38%	0.384	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	141.2	-179.1	-63.5	-63.3	0	0	0	111.4	R483 V512 R527 S531	R483-H514 PolarHBondContact NH1-O 3.28Å; R483-H514 VanDerWaalsContact NH1-O 3.08Å; R483-H514 PolarHBondContact NH2-O 2.58Å; V512-H514 HydrophobicContact CG1-CB 4.48Å; H514-R527 PolarHBondContact CD2-NH1 2.89Å; H514-R527 PolarHBondContact ND1-NH1 2.81Å; H514-R527 PolarHBondContact NE2-NH1 2.87Å; H514-S531 PolarHBondContact ND1-OG 3.24Å
515	I	97.1	Very high	94.8	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.4	174.6	-61.5	163.9	0	0	0	106.6	Y496 L498 C528 F530 L532 L568 V578	Y496-I515 HydrophobicContact CD1-CG2 4.08Å; L498-I515 HydrophobicContact CD2-CD1 4.07Å; L498-I515 HydrophobicContact CD2-CG1 4.13Å; L498-I515 HydrophobicContact CD2-CG2 4.37Å; L498-I515 HydrophobicContact CG-CG1 4.41Å; L498-I515 HydrophobicContact CG-CG2 4.35Å; I515-C528 HydrophobicContact CB-CB 4.22Å; I515-C528 HydrophobicContact CG2-CB 4.39Å; I515-C528 WeakPolarHBondContact O-CB 3.35Å; I515-C528 PolarHBondContact O-N 3.39Å; I515-F530 HydrophobicContact CD1-CD2 3.88Å; I515-F530 HydrophobicContact CD1-CE2 4.12Å; I515-F530 HydrophobicContact CG2-CE2 4.47Å; I515-L532 HydrophobicContact CD1-CD2 4.25Å; I515-L532 HydrophobicContact CD1-CG 4.29Å; I515-L532 HydrophobicContact CG1-CG 4.3Å; I515-L568 HydrophobicContact CD1-CD2 4.4Å; I515-V578 HydrophobicContact CD1-CG2 4.13Å
516	D	97.9	Very high	95.3	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.5	171.6	-55.2	-48.3	0	0	0	107.6	Q481 R483 Y496 V497 W525 T526 R527	Q481-D516 PolarHBondContact NE2-OD2 2.96Å; R483-D516 IonicContact CZ-OD2 3.46Å; R483-D516 IonicContact NE-OD2 3.14Å; R483-D516 VanDerWaalsContact NH2-CG 3.34Å; R483-D516 IonicContact NH2-OD2 3.12Å; R483-D516 PolarHBondContact NH2-OD2 2.82Å; Y496-D516 WeakPolarHBondContact CA-O 3.22Å; V497-D516 HydrophobicContact CG2-CB 3.74Å; V497-D516 PolarHBondContact N-O 2.83Å; V497-D516 PolarHBondContact O-N 2.96Å; D516-W525 HydrophobicContact CB-CE3 3.78Å; D516-W525 HydrophobicContact CB-CZ3 4.12Å; D516-T526 WeakPolarHBondContact CA-O 3.48Å; D516-R527 VanDerWaalsContact OD1-CD 3.22Å; D516-R527 WeakPolarHBondContact OD1-CD 3.46Å; D516-R527 IonicContact OD1-CZ 3.55Å; D516-R527 IonicContact OD1-NE 3.27Å; D516-R527 PolarHBondContact OD1-NE 2.89Å; D516-R527 IonicContact OD1-NH2 3.39Å
517	S	97.7	Very high	95.6	Very high	15 Å²	15	60.6 Å²	60.6	11%	0.105	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	148.6	172.4	63.8	0	0	0	0	110.6	L495 W525 T526	L495-S517 CarbonylContact O-C 3.59Å; L495-S517 WeakPolarHBondContact O-CA 3.38Å; S517-W525 CarbonylContact O-C 3.04Å; S517-W525 VanDerWaalsContact O-CA 3.3Å; S517-W525 WeakPolarHBondContact O-CA 3.09Å; S517-T526 PolarHBondContact N-O 2.77Å; S517-T526 PolarHBondContact O-N 2.91Å; S517-T526 PolarHBondContact OG-O 3.05Å
518	Y	98.6	Very high	95.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	123.7	177.6	168	-91.1	0	0	0	110.3	W448 L463 Q494 L495 M520 D523 Q524 W525	W448-Y518 AromaticContact CH2-CE1 4Å; W448-Y518 HydrophobicContact CH2-CE1 4Å; W448-Y518 AromaticContact CZ3-CE1 3.7Å; W448-Y518 HydrophobicContact CZ3-CE1 3.7Å; L463-Y518 HydrophobicContact CD2-CD1 3.91Å; L463-Y518 HydrophobicContact CD2-CD2 3.85Å; L463-Y518 HydrophobicContact CD2-CE1 3.7Å; L463-Y518 HydrophobicContact CD2-CE2 3.63Å; L463-Y518 HydrophobicContact CD2-CG 3.98Å; Q494-Y518 CarbonylContact C-O 3.59Å; Q494-Y518 VanDerWaalsContact CA-O 3.32Å; Q494-Y518 WeakPolarHBondContact CA-O 3.49Å; Q494-Y518 PolarHBondContact OE1-O 3.39Å; Q494-Y518 VanDerWaalsContact OE1-O 3.09Å; L495-Y518 HydrophobicContact CB-CD1 4.26Å; L495-Y518 HydrophobicContact CD1-CD1 3.78Å; L495-Y518 HydrophobicContact CD1-CE1 4.26Å; L495-Y518 HydrophobicContact CG-CD1 4.1Å; L495-Y518 PolarHBondContact N-O 3.1Å; L495-Y518 PolarHBondContact O-N 3.25Å; Y518-M520 HydrophobicContact CD1-CG 4.34Å; Y518-M520 HydrophobicContact CE1-CB 4.48Å; Y518-M520 HydrophobicContact CE1-CG 4.17Å; Y518-M520 PolarHBondContact O-N 3.17Å; Y518-D523 WeakPolarHBondContact CE2-OD1 3.15Å; Y518-D523 WeakPolarHBondContact OH-CA 3.32Å; Y518-D523 VanDerWaalsContact OH-CG 3.31Å; Y518-D523 PolarHBondContact OH-OD1 3.07Å; Y518-Q524 WeakPolarHBondContact CA-O 3.49Å; Y518-W525 AromaticContact CD2-CD1 3.68Å; Y518-W525 AromaticContact CD2-CD2 3.99Å; Y518-W525 HydrophobicContact CD2-CD2 3.99Å; Y518-W525 AromaticContact CD2-CE2 3.64Å; Y518-W525 HydrophobicContact CD2-CG 4.01Å; Y518-W525 HydrophobicContact CD2-CZ2 4.17Å; Y518-W525 AromaticContact CD2-NE1 3.44Å; Y518-W525 HydrophobicContact CG-CD2 4.23Å; Y518-W525 AromaticContact CG-CE2 3.92Å; Y518-W525 HydrophobicContact CG-CH2 4.42Å; Y518-W525 HydrophobicContact CG-CZ2 4.06Å
519	S	97.9	Very high	96.1	Very high	11 Å²	11	57.2 Å²	57.2	8%	0.077	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117.4	174.2	175.3	0	0	0	0	109.5	Q494 D521 L522 D523 Q524	Q494-S519 VanDerWaalsContact OE1-N 3.12Å; S519-D521 PolarHBondContact O-N 3.14Å; S519-D521 PolarHBondContact OG-N 3.4Å; S519-L522 PolarHBondContact O-N 2.81Å; S519-L522 PolarHBondContact OG-N 3.05Å; S519-D523 WeakPolarHBondContact O-CA 3.45Å; S519-D523 PolarHBondContact O-N 3.48Å; S519-Q524 PolarHBondContact N-O 2.79Å
520	M	97.4	Very high	96.1	Very high	18 Å²	18	51.9 Å²	51.9	9%	0.089	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.4	175.4	-61.6	172.2	-155.5	0	0	112	A443 D444 W448 A490 R493 L495 Y518	A443-M520 HydrophobicContact CB-CE 3.58Å; A443-M520 HydrophobicContact CB-SD 4.23Å; D444-M520 VanDerWaalsContact OD2-SD 3.37Å; W448-M520 HydrophobicContact CH2-CG 4.42Å; W448-M520 HydrophobicContact CZ2-CG 4.24Å; A490-M520 HydrophobicContact CB-CE 4.21Å; R493-M520 VanDerWaalsContact C-CE 3.45Å; R493-M520 HydrophobicContact CB-SD 4.22Å; R493-M520 WeakPolarHBondContact O-CB 3.23Å; R493-M520 VanDerWaalsContact O-CG 3.23Å; R493-M520 WeakPolarHBondContact O-CG 3.23Å; R493-M520 PolarHBondContact O-N 2.82Å; L495-M520 HydrophobicContact CD2-CE 3.45Å; L495-M520 VanDerWaalsContact CD2-CE 3.45Å; L495-M520 HydrophobicContact CG-CE 3.66Å; L495-M520 HydrophobicContact CG-CG 4.43Å; Y518-M520 HydrophobicContact CD1-CG 4.34Å; Y518-M520 HydrophobicContact CE1-CB 4.48Å; Y518-M520 HydrophobicContact CE1-CG 4.17Å; Y518-M520 PolarHBondContact O-N 3.17Å
521	D	96.6	Very high	96.3	Very high	103 Å²	103	50.5 Å²	50.5	55%	0.551	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-38.8	-179.3	-57.6	-45.9	0	0	0	112.5	R493 S519	R493-D521 IonicContact CZ-OD1 3.23Å; R493-D521 VanDerWaalsContact CZ-OD1 3.28Å; R493-D521 IonicContact NE-OD1 3.21Å; R493-D521 PolarHBondContact NE-OD1 3.44Å; R493-D521 IonicContact NE-OD2 3.89Å; R493-D521 IonicContact NH2-OD1 3.81Å; R493-D521 PolarHBondContact NH2-OD1 2.88Å; S519-D521 PolarHBondContact O-N 3.14Å; S519-D521 PolarHBondContact OG-N 3.4Å
522	L	97.5	Very high	96.4	Very high	125 Å²	125	49.5 Å²	49.5	65%	0.654	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-9	-176.9	-58.8	176.6	0	0	0	113.7	S519 Q524	S519-L522 PolarHBondContact O-N 2.81Å; S519-L522 PolarHBondContact OG-N 3.05Å; L522-Q524 VanDerWaalsContact C-N 3.26Å; L522-Q524 HydrophobicContact CB-CB 4.16Å; L522-Q524 PolarHBondContact O-N 3Å
523	D	97.8	Very high	96.5	Very high	46 Å²	46	52 Å²	52	25%	0.246	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	47.7	-172	-162.3	-9.7	0	0	0	111.7	R476 S477 Y518 S519	R476-D523 WeakPolarHBondContact CD-OD2 3.45Å; R476-D523 IonicContact NH1-OD2 3.43Å; S477-D523 WeakPolarHBondContact CB-O 3.15Å; S477-D523 WeakPolarHBondContact CB-OD1 3.48Å; S477-D523 PolarHBondContact N-OD1 3.27Å; S477-D523 PolarHBondContact OG-O 2.98Å; S477-D523 PolarHBondContact OG-OD1 2.95Å; S477-D523 VanDerWaalsContact OG-OD1 3.12Å; Y518-D523 WeakPolarHBondContact CE2-OD1 3.15Å; Y518-D523 WeakPolarHBondContact OH-CA 3.32Å; Y518-D523 VanDerWaalsContact OH-CG 3.31Å; Y518-D523 PolarHBondContact OH-OD1 3.07Å; S519-D523 WeakPolarHBondContact O-CA 3.45Å; S519-D523 PolarHBondContact O-N 3.48Å
524	Q	98.2	Very high	96.3	Very high	109 Å²	109	48.2 Å²	48.2	51%	0.509	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.6	-171.6	-172.2	178.3	19.2	0	0	112.4	Y518 S519 L522	Y518-Q524 WeakPolarHBondContact CA-O 3.49Å; S519-Q524 PolarHBondContact N-O 2.79Å; L522-Q524 VanDerWaalsContact C-N 3.26Å; L522-Q524 HydrophobicContact CB-CB 4.16Å; L522-Q524 PolarHBondContact O-N 3Å
525	W	98.5	Very high	96	Very high	15 Å²	15	44.7 Å²	44.7	6%	0.057	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	140.2	171.1	-70.3	90.6	0	0	0	112.4	L463 S477 P478 M479 L480 V497 D516 S517 Y518	L463-W525 HydrophobicContact CB-CZ2 4.43Å; L463-W525 HydrophobicContact CD1-CZ2 4.24Å; L463-W525 HydrophobicContact CD2-CZ2 3.84Å; L463-W525 HydrophobicContact CG-CZ2 4.4Å; S477-W525 PolarHBondContact O-NE1 2.94Å; P478-W525 PolarHBondContact O-NE1 2.84Å; M479-W525 HydrophobicContact CB-CZ2 4.42Å; M479-W525 HydrophobicContact CG-CD2 4.36Å; M479-W525 HydrophobicContact CG-CH2 3.85Å; M479-W525 HydrophobicContact CG-CZ2 3.43Å; M479-W525 VanDerWaalsContact CG-CZ2 3.43Å; M479-W525 HydrophobicContact CG-CZ3 4.45Å; M479-W525 HydrophobicContact SD-CH2 4.42Å; M479-W525 HydrophobicContact SD-CZ2 4.48Å; L480-W525 HydrophobicContact CD1-CB 4.26Å; L480-W525 HydrophobicContact CD2-CB 3.78Å; L480-W525 HydrophobicContact CG-CB 3.71Å; V497-W525 HydrophobicContact CB-CZ3 4.46Å; V497-W525 HydrophobicContact CG1-CH2 3.72Å; V497-W525 HydrophobicContact CG1-CZ3 4.09Å; V497-W525 HydrophobicContact CG2-CE3 4.48Å; V497-W525 HydrophobicContact CG2-CH2 4.07Å; V497-W525 HydrophobicContact CG2-CZ3 3.63Å; D516-W525 HydrophobicContact CB-CE3 3.78Å; D516-W525 HydrophobicContact CB-CZ3 4.12Å; S517-W525 CarbonylContact O-C 3.04Å; S517-W525 VanDerWaalsContact O-CA 3.3Å; S517-W525 WeakPolarHBondContact O-CA 3.09Å; Y518-W525 AromaticContact CD2-CD1 3.68Å; Y518-W525 AromaticContact CD2-CD2 3.99Å; Y518-W525 HydrophobicContact CD2-CD2 3.99Å; Y518-W525 AromaticContact CD2-CE2 3.64Å; Y518-W525 HydrophobicContact CD2-CG 4.01Å; Y518-W525 HydrophobicContact CD2-CZ2 4.17Å; Y518-W525 AromaticContact CD2-NE1 3.44Å; Y518-W525 HydrophobicContact CG-CD2 4.23Å; Y518-W525 AromaticContact CG-CE2 3.92Å; Y518-W525 HydrophobicContact CG-CH2 4.42Å; Y518-W525 HydrophobicContact CG-CZ2 4.06Å
526	T	97.7	Very high	95.8	Very high	78 Å²	78	44.7 Å²	44.7	48%	0.479	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.7	173.4	-56.9	0	0	0	0	109.7	D516 S517	D516-T526 WeakPolarHBondContact CA-O 3.48Å; S517-T526 PolarHBondContact N-O 2.77Å; S517-T526 PolarHBondContact O-N 2.91Å; S517-T526 PolarHBondContact OG-O 3.05Å
527	R	97.5	Very high	95.6	Very high	99 Å²	99	44.9 Å²	44.9	37%	0.374	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	121.9	171.9	175.2	66	64.6	96.8	-0.7	108.5	L480 H514 D516	L480-R527 HydrophobicContact CD1-CB 4.08Å; H514-R527 PolarHBondContact CD2-NH1 2.89Å; H514-R527 PolarHBondContact ND1-NH1 2.81Å; H514-R527 PolarHBondContact NE2-NH1 2.87Å; D516-R527 VanDerWaalsContact OD1-CD 3.22Å; D516-R527 WeakPolarHBondContact OD1-CD 3.46Å; D516-R527 IonicContact OD1-CZ 3.55Å; D516-R527 IonicContact OD1-NE 3.27Å; D516-R527 PolarHBondContact OD1-NE 2.89Å; D516-R527 IonicContact OD1-NH2 3.39Å
528	C	95.8	Very high	95.5	Very high	16 Å²	16	45.9 Å²	45.9	11%	0.108	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	148.9	175.2	-60.9	0	0	0	0	110.8	I515 F530	I515-C528 HydrophobicContact CB-CB 4.22Å; I515-C528 HydrophobicContact CG2-CB 4.39Å; I515-C528 WeakPolarHBondContact O-CB 3.35Å; I515-C528 PolarHBondContact O-N 3.39Å; C528-F530 HydrophobicContact CB-CD1 4.22Å; C528-F530 HydrophobicContact CB-CD2 4.08Å; C528-F530 HydrophobicContact CB-CE1 3.94Å; C528-F530 HydrophobicContact CB-CE2 3.78Å; C528-F530 HydrophobicContact CB-CG 4.29Å; C528-F530 HydrophobicContact CB-CZ 3.72Å; C528-F530 PolarHBondContact O-N 3.31Å
529	S	93.4	Very high	95.4	Very high	123 Å²	123	46.6 Å²	46.6	86%	0.86	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	-18.2	175.3	53.7	0	0	0	0	113.2
530	F	92.3	Very high	95.3	Very high	34 Å²	34	46.3 Å²	46.3	15%	0.149	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	167.6	176.9	50.1	-91.9	0	0	0	111.7	I515 C528 L568 L570 E576 V578	I515-F530 HydrophobicContact CD1-CD2 3.88Å; I515-F530 HydrophobicContact CD1-CE2 4.12Å; I515-F530 HydrophobicContact CG2-CE2 4.47Å; C528-F530 HydrophobicContact CB-CD1 4.22Å; C528-F530 HydrophobicContact CB-CD2 4.08Å; C528-F530 HydrophobicContact CB-CE1 3.94Å; C528-F530 HydrophobicContact CB-CE2 3.78Å; C528-F530 HydrophobicContact CB-CG 4.29Å; C528-F530 HydrophobicContact CB-CZ 3.72Å; C528-F530 PolarHBondContact O-N 3.31Å; F530-L568 HydrophobicContact CD2-CD1 3.83Å; F530-L568 HydrophobicContact CE2-CD1 3.32Å; F530-L568 HydrophobicContact CE2-CD2 4.06Å; F530-L568 HydrophobicContact CE2-CG 4.35Å; F530-L568 HydrophobicContact CZ-CD1 3.98Å; F530-L570 HydrophobicContact CZ-CD2 4.35Å; F530-E576 HydrophobicContact CD1-CB 3.97Å; F530-E576 HydrophobicContact CE1-CB 3.4Å; F530-E576 VanDerWaalsContact CE1-CB 3.4Å; F530-E576 HydrophobicContact CE1-CG 3.96Å; F530-E576 HydrophobicContact CZ-CB 3.77Å; F530-E576 HydrophobicContact CZ-CG 4.2Å; F530-V578 HydrophobicContact CD2-CG2 4.02Å
531	S	95.5	Very high	95.3	Very high	36 Å²	36	47.2 Å²	47.2	25%	0.252	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	162.9	-175	-69.5	0	0	0	0	110.6	R513 H514	R513-S531 WeakPolarHBondContact O-CB 3.48Å; H514-S531 PolarHBondContact ND1-OG 3.24Å
532	L	95.4	Very high	95.4	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	24%	0.238	C	C	.	.			trans	-59.7	140.5	173.4	-67.1	177.1	0	0	0	110.9	L498 R513 I515 T534 V550 Q566	L498-L532 HydrophobicContact CB-CD1 4.25Å; L498-L532 HydrophobicContact CD2-CD2 4.26Å; R513-L532 VanDerWaalsContact CZ-O 3.31Å; R513-L532 PolarHBondContact NE-O 2.92Å; R513-L532 PolarHBondContact NH2-O 2.93Å; R513-L532 PolarHBondContact O-N 2.9Å; I515-L532 HydrophobicContact CD1-CD2 4.25Å; I515-L532 HydrophobicContact CD1-CG 4.29Å; I515-L532 HydrophobicContact CG1-CG 4.3Å; L532-T534 VanDerWaalsContact C-N 3.32Å; L532-V550 HydrophobicContact CD2-CG2 4.38Å; L532-Q566 HydrophobicContact CD2-CB 4.4Å
533	L	94	Very high	95.3	Very high	60 Å²	60	39.6 Å²	39.6	31%	0.314	22%	0.223	S	C	.	.	S	Bend	trans	-66.7	-35.1	177.2	-57.4	179.1	0	0	0	111.8	R513 V578 Y580	R513-L533 VanDerWaalsContact CZ-O 3.29Å; R513-L533 VanDerWaalsContact NH2-C 3.34Å; R513-L533 PolarHBondContact NH2-O 3.1Å; L533-V578 HydrophobicContact CG-CG1 4.03Å; L533-Y580 HydrophobicContact CB-CE1 4.2Å; L533-Y580 HydrophobicContact CB-CE2 3.91Å; L533-Y580 WeakPolarHBondContact CB-OH 3.45Å; L533-Y580 HydrophobicContact CD1-CD1 4.3Å; L533-Y580 HydrophobicContact CD1-CD2 3.52Å; L533-Y580 HydrophobicContact CD1-CE1 4.23Å; L533-Y580 HydrophobicContact CD1-CE2 3.45Å; L533-Y580 VanDerWaalsContact CD1-CE2 3.45Å; L533-Y580 HydrophobicContact CD1-CG 3.96Å; L533-Y580 HydrophobicContact CG-CE2 4.33Å
534	T	90.1	Very high	95.1	Very high	41 Å²	41	38.7 Å²	38.7	25%	0.252	22%	0.218	S	C	.	.	S	Bend	trans	-128.8	136.5	172.9	-67.2	0	0	0	0	110.1	L532 L562 Q566 Y580	L532-T534 VanDerWaalsContact C-N 3.32Å; T534-L562 HydrophobicContact CG2-CD1 4.25Å; T534-Q566 PolarHBondContact O-NE2 2.91Å; T534-Y580 PolarHBondContact OG1-OH 3.36Å
535	G	88.6	Confident	94.8	Very high	8 Å²	8	39 Å²	39	8%	0.082	22%	0.223	C	C	.	.			trans	-70.4	129.8	170.8	0	0	0	0	0	109.9	L511	L511-G535 WeakPolarHBondContact CD1-O 3.4Å
536	Q	92.8	Very high	94.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	23%	0.234	C	C	.	.			trans	-150	147.2	-179.1	60.3	-169.4	44.4	0	0	110.9	G499 G500 S539 G552 L562 C564	G499-Q536 WeakPolarHBondContact CA-O 3.5Å; G500-Q536 PolarHBondContact N-O 3.13Å; Q536-S539 WeakPolarHBondContact CG-OG 3.47Å; Q536-S539 PolarHBondContact NE2-OG 2.85Å; Q536-G552 VanDerWaalsContact CD-O 3.31Å; Q536-G552 PolarHBondContact NE2-O 2.79Å; Q536-G552 VanDerWaalsContact NE2-O 3.12Å; Q536-L562 HydrophobicContact CB-CD1 3.48Å; Q536-L562 VanDerWaalsContact CB-CD1 3.48Å; Q536-C564 PolarHBondContact OE1-SG 3.05Å; Q536-C564 VanDerWaalsContact OE1-SG 3.36Å
537	N	94.1	Very high	94.5	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-123.7	171.5	170.5	71.2	0.1	0	0	0	110.2	N501 S539 G553 Y554	N501-N537 PolarHBondContact OD1-ND2 3.33Å; N537-S539 PolarHBondContact O-N 3.48Å; N537-G553 CarbonylContact O-C 3.56Å; N537-G553 WeakPolarHBondContact O-CA 3.31Å; N537-Y554 PolarHBondContact N-O 3.07Å; N537-Y554 VanDerWaalsContact N-O 3.1Å; N537-Y554 PolarHBondContact O-N 2.86Å; N537-Y554 WeakPolarHBondContact OD1-CB 3.06Å; N537-Y554 PolarHBondContact OD1-O 2.77Å
538	E	95.5	Very high	94.5	Very high	35 Å²	35	35.4 Å²	35.4	16%	0.164	20%	0.204	C	C	.	.	S	Bend	trans	56.6	27.8	178.1	-57	176.5	-170.3	0	0	113.8	H337 Y485 N589 G590	H337-E538 IonicContact CE1-OE2 2.71Å; H337-E538 IonicContact NE2-OE2 3.69Å; H337-E538 PolarHBondContact NE2-OE2 3.09Å; Y485-E538 HydrophobicContact CD1-CG 3.66Å; Y485-E538 HydrophobicContact CE1-CG 4.27Å; Y485-E538 HydrophobicContact CG-CG 3.96Å; Y485-E538 PolarHBondContact O-N 2.94Å; E538-N589 HydrophobicContact CB-CB 4.28Å; E538-N589 PolarHBondContact OE2-ND2 3.02Å; E538-G590 PolarHBondContact O-N 3.47Å
539	S	96.4	Very high	94.6	Very high	16 Å²	16	35.2 Å²	35.2	11%	0.112	20%	0.202	C	C	.	.			trans	-79.1	157.8	176.5	-58.1	0	0	0	0	111.8	V487 Q536 N537 G552	V487-S539 WeakPolarHBondContact CG1-O 3.49Å; Q536-S539 WeakPolarHBondContact CG-OG 3.47Å; Q536-S539 PolarHBondContact NE2-OG 2.85Å; N537-S539 PolarHBondContact O-N 3.48Å; S539-G552 PolarHBondContact OG-O 2.74Å
540	G	97	Very high	94.8	Very high	4 Å²	4	29.5 Å²	29.5	4%	0.041	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	154.9	160.1	0	0	0	0	0	111	V550 V551 I591 T593	G540-V550 WeakPolarHBondContact O-CA 3.13Å; G540-V551 PolarHBondContact N-O 3.17Å; G540-V551 PolarHBondContact O-N 3.22Å; G540-I591 WeakPolarHBondContact CA-O 3.15Å; G540-I591 PolarHBondContact N-O 3.26Å; G540-T593 VanDerWaalsContact C-CG2 3.43Å
541	V	97.6	Very high	95	Very high	38 Å²	38	27.9 Å²	27.9	23%	0.23	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139	171.2	67.6	0	0	0	0	111.5	V487 A489 I548 Y549 T593	V487-V541 HydrophobicContact CB-CB 3.71Å; V487-V541 HydrophobicContact CB-CG1 3.78Å; V487-V541 HydrophobicContact CB-CG2 4.31Å; V487-V541 HydrophobicContact CG1-CB 4.02Å; V487-V541 HydrophobicContact CG1-CG1 4.15Å; V487-V541 HydrophobicContact CG2-CB 3.93Å; V487-V541 HydrophobicContact CG2-CG1 4.49Å; V487-V541 HydrophobicContact CG2-CG2 4.12Å; A489-V541 HydrophobicContact CB-CG2 3.95Å; V541-I548 HydrophobicContact CG2-CG2 3.72Å; V541-Y549 VanDerWaalsContact CA-O 3.32Å; V541-Y549 WeakPolarHBondContact CA-O 3.08Å; V541-T593 VanDerWaalsContact N-CG2 3.26Å; V541-T593 VanDerWaalsContact O-O 3.12Å
542	A	97.3	Very high	95	Very high	9 Å²	9	26.1 Å²	26.1	7%	0.074	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	156.3	171.2	0	0	0	0	0	110.5	L290 Y549 T593 F595	L290-A542 HydrophobicContact CD1-CB 4.04Å; A542-Y549 PolarHBondContact N-O 2.98Å; A542-Y549 VanDerWaalsContact N-O 3.07Å; A542-Y549 PolarHBondContact O-N 3.2Å; A542-T593 HydrophobicContact CB-CG2 3.94Å; A542-F595 HydrophobicContact CB-CD2 3.77Å; A542-F595 HydrophobicContact CB-CE2 3.95Å
543	V	96.1	Very high	94.9	Very high	58 Å²	58	26.1 Å²	26.1	35%	0.352	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.3	-178.6	-177.1	0	0	0	0	109.5	A489 V491 R547 I548 F595	A489-V543 HydrophobicContact CB-CG2 3.66Å; V491-V543 HydrophobicContact CG2-CG1 3.63Å; V543-R547 WeakPolarHBondContact CA-O 3.35Å; V543-I548 HydrophobicContact CG2-CG1 4.16Å; V543-F595 WeakPolarHBondContact O-CD2 3.14Å
544	H	94.3	Very high	94.9	Very high	28 Å²	28	25.6 Å²	25.6	13%	0.13	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	138	171.9	179.6	41.2	0	0	0	109.4	D546 R547 Y549 F595	H544-D546 PolarHBondContact O-N 3.14Å; H544-R547 PolarHBondContact N-O 3.17Å; H544-R547 WeakPolarHBondContact O-CA 3.43Å; H544-R547 VanDerWaalsContact O-CB 3.32Å; H544-R547 WeakPolarHBondContact O-CB 3.41Å; H544-R547 PolarHBondContact O-N 2.92Å; H544-Y549 HydrophobicContact CB-CE2 4.45Å; H544-F595 HydrophobicContact CB-CB 4.49Å; H544-F595 HydrophobicContact CB-CD1 3.77Å; H544-F595 HydrophobicContact CB-CD2 3.46Å; H544-F595 VanDerWaalsContact CB-CD2 3.46Å; H544-F595 HydrophobicContact CB-CE1 3.72Å; H544-F595 HydrophobicContact CB-CE2 3.41Å; H544-F595 VanDerWaalsContact CB-CE2 3.41Å; H544-F595 HydrophobicContact CB-CG 3.64Å; H544-F595 HydrophobicContact CB-CZ 3.55Å; H544-F595 AromaticContact CD2-CD1 3.69Å; H544-F595 AromaticContact CD2-CE1 3.45Å; H544-F595 VanDerWaalsContact CD2-CE1 3.45Å; H544-F595 WeakPolarHBondContact CD2-CE1 3.35Å; H544-F595 AromaticContact CG-CD1 3.81Å; H544-F595 AromaticContact CG-CE1 3.84Å
545	D	91.8	Very high	94.9	Very high	115 Å²	115	24 Å²	24	62%	0.615	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	51.6	176.1	-62	-8.1	0	0	0	113.9	R547	D545-R547 PolarHBondContact O-N 3.11Å
546	D	94.3	Very high	94.8	Very high	54 Å²	54	25.6 Å²	25.6	29%	0.289	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	21	-176.9	-64.3	-39.1	0	0	0	114.5	V491 R492 H544 L570	V491-D546 HydrophobicContact CG1-CB 4.19Å; V491-D546 WeakPolarHBondContact CG1-OD1 3.44Å; R492-D546 IonicContact CZ-OD2 2.95Å; R492-D546 VanDerWaalsContact CZ-OD2 3.27Å; R492-D546 IonicContact NE-OD1 2.7Å; R492-D546 IonicContact NE-OD2 3.28Å; R492-D546 PolarHBondContact NE-OD2 2.75Å; R492-D546 VanDerWaalsContact NE-OD2 3.07Å; R492-D546 IonicContact NH2-OD2 3.5Å; R492-D546 PolarHBondContact NH2-OD2 3.1Å; H544-D546 PolarHBondContact O-N 3.14Å; D546-L570 WeakPolarHBondContact O-CA 3.35Å; D546-L570 VanDerWaalsContact O-CB 3.26Å; D546-L570 WeakPolarHBondContact O-CB 3.5Å; D546-L570 PolarHBondContact O-N 3.32Å
547	R	95.5	Very high	94.4	Very high	62 Å²	62	34.6 Å²	34.6	23%	0.234	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.1	173.9	-66	171.7	171.1	157.7	3.9	111	E315 V543 H544 D545 Y549 V567 L568 D569	E315-R547 IonicContact OE1-NH1 3.55Å; V543-R547 WeakPolarHBondContact CA-O 3.35Å; H544-R547 PolarHBondContact N-O 3.17Å; H544-R547 WeakPolarHBondContact O-CA 3.43Å; H544-R547 VanDerWaalsContact O-CB 3.32Å; H544-R547 WeakPolarHBondContact O-CB 3.41Å; H544-R547 PolarHBondContact O-N 2.92Å; D545-R547 PolarHBondContact O-N 3.11Å; R547-Y549 HydrophobicContact CB-CD2 4.34Å; R547-Y549 HydrophobicContact CB-CE2 3.63Å; R547-V567 HydrophobicContact CB-CG1 3.98Å; R547-V567 HydrophobicContact CG-CG1 4.29Å; R547-L568 CarbonylContact C-O 3.52Å; R547-L568 VanDerWaalsContact CA-O 3.27Å; R547-L568 WeakPolarHBondContact CA-O 3.36Å; R547-D569 HydrophobicContact CG-CB 4.2Å; R547-D569 IonicContact CZ-OD2 3.89Å; R547-D569 VanDerWaalsContact CZ-OD2 3.3Å; R547-D569 IonicContact NE-OD1 3.17Å; R547-D569 IonicContact NE-OD2 3.7Å; R547-D569 PolarHBondContact NE-OD2 3.06Å; R547-D569 IonicContact NH2-OD2 2.75Å; R547-D569 PolarHBondContact NH2-OD2 3.2Å
548	I	97.4	Very high	94	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.4	174.8	-58.7	167.7	0	0	0	108.6	A489 V491 Y496 L498 V541 V543 V550 V567 L568 L570	A489-I548 HydrophobicContact CB-CB 4.47Å; A489-I548 HydrophobicContact CB-CD1 3.77Å; A489-I548 HydrophobicContact CB-CG1 3.91Å; A489-I548 HydrophobicContact CB-CG2 3.71Å; V491-I548 HydrophobicContact CG2-CD1 3.86Å; V491-I548 HydrophobicContact CG2-CG1 3.71Å; Y496-I548 HydrophobicContact CD2-CD1 3.74Å; Y496-I548 HydrophobicContact CE2-CD1 4.49Å; Y496-I548 HydrophobicContact CG-CD1 3.86Å; L498-I548 HydrophobicContact CD1-CG2 4.13Å; L498-I548 HydrophobicContact CD2-CG2 4.44Å; V541-I548 HydrophobicContact CG2-CG2 3.72Å; V543-I548 HydrophobicContact CG2-CG1 4.16Å; I548-V550 HydrophobicContact CG2-CG2 4.4Å; I548-V567 WeakPolarHBondContact O-CA 2.91Å; I548-L568 HydrophobicContact CB-CB 4.26Å; I548-L568 HydrophobicContact CD1-CD2 4.02Å; I548-L568 PolarHBondContact N-O 3.01Å; I548-L568 PolarHBondContact O-N 2.96Å; I548-L570 HydrophobicContact CD1-CD1 3.86Å; I548-L570 HydrophobicContact CG1-CD1 4.44Å
549	Y	97.1	Very high	93.6	Very high	13 Å²	13	42.1 Å²	42.1	5%	0.051	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114	179.3	-65.6	-103.4	0	0	0	109.4	L290 V541 A542 H544 R547 I565 V567 F595	L290-Y549 HydrophobicContact CD2-CD1 4.34Å; V541-Y549 VanDerWaalsContact CA-O 3.32Å; V541-Y549 WeakPolarHBondContact CA-O 3.08Å; A542-Y549 PolarHBondContact N-O 2.98Å; A542-Y549 VanDerWaalsContact N-O 3.07Å; A542-Y549 PolarHBondContact O-N 3.2Å; H544-Y549 HydrophobicContact CB-CE2 4.45Å; R547-Y549 HydrophobicContact CB-CD2 4.34Å; R547-Y549 HydrophobicContact CB-CE2 3.63Å; Y549-I565 HydrophobicContact CD1-CG2 4.08Å; Y549-V567 HydrophobicContact CD1-CG1 4.4Å; Y549-V567 HydrophobicContact CD1-CG2 3.62Å; Y549-V567 HydrophobicContact CE1-CG1 4.12Å; Y549-V567 HydrophobicContact CE1-CG2 3.67Å; Y549-V567 HydrophobicContact CE2-CG1 4.49Å; Y549-V567 HydrophobicContact CG-CG2 4.43Å; Y549-F595 AromaticContact CD2-CE2 3.57Å; Y549-F595 HydrophobicContact CD2-CE2 3.57Å; Y549-F595 AromaticContact CD2-CZ 3.77Å; Y549-F595 HydrophobicContact CD2-CZ 3.77Å; Y549-F595 HydrophobicContact CE1-CZ 4.42Å; Y549-F595 AromaticContact CE2-CE2 3.8Å; Y549-F595 HydrophobicContact CE2-CE2 3.8Å; Y549-F595 AromaticContact CE2-CZ 3.58Å; Y549-F595 HydrophobicContact CE2-CZ 3.58Å; Y549-F595 HydrophobicContact CG-CE2 4.17Å; Y549-F595 HydrophobicContact CG-CZ 4.28Å; Y549-F595 AromaticContact CZ-CZ 3.95Å
550	V	97.4	Very high	93.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	111.3	173.6	-162.7	0	0	0	0	108.8	V487 L498 L532 G540 I548 I565 Q566	V487-V550 HydrophobicContact CG2-CG1 4.07Å; L498-V550 HydrophobicContact CB-CG2 4.36Å; L498-V550 HydrophobicContact CD2-CG2 4Å; L532-V550 HydrophobicContact CD2-CG2 4.38Å; G540-V550 WeakPolarHBondContact O-CA 3.13Å; I548-V550 HydrophobicContact CG2-CG2 4.4Å; V550-I565 WeakPolarHBondContact O-CA 3.37Å; V550-Q566 PolarHBondContact N-O 2.88Å; V550-Q566 PolarHBondContact O-N 3.27Å
551	V	96.2	Very high	93.1	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.9	-162.9	-179.9	0	0	0	0	111.1	L290 I292 G540 I565 L584 I591 T593	L290-V551 HydrophobicContact CD2-CG2 4.36Å; I292-V551 HydrophobicContact CG2-CG1 3.93Å; G540-V551 PolarHBondContact N-O 3.17Å; G540-V551 PolarHBondContact O-N 3.22Å; V551-I565 HydrophobicContact CB-CG1 4.45Å; V551-I565 HydrophobicContact CG1-CD1 4.15Å; V551-I565 HydrophobicContact CG1-CG1 4.11Å; V551-I565 HydrophobicContact CG2-CD1 4.2Å; V551-I565 HydrophobicContact CG2-CG1 4.22Å; V551-I565 HydrophobicContact CG2-CG2 4.19Å; V551-L584 HydrophobicContact CG1-CD1 3.93Å; V551-L584 HydrophobicContact CG1-CD2 3.69Å; V551-L584 HydrophobicContact CG1-CG 4.18Å; V551-I591 HydrophobicContact CG1-CG2 4.45Å; V551-I591 WeakPolarHBondContact O-CG2 3.47Å; V551-T593 HydrophobicContact CB-CG2 3.99Å; V551-T593 HydrophobicContact CG2-CG2 3.8Å
552	G	95.2	Very high	92.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.			trans	60.5	-144.1	178.5	0	0	0	0	0	112.5	Q536 S539 L562 C564	Q536-G552 VanDerWaalsContact CD-O 3.31Å; Q536-G552 PolarHBondContact NE2-O 2.79Å; Q536-G552 VanDerWaalsContact NE2-O 3.12Å; S539-G552 PolarHBondContact OG-O 2.74Å; G552-L562 WeakPolarHBondContact CA-O 3.36Å; G552-C564 PolarHBondContact N-O 2.88Å
553	G	94.6	Very high	92.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.			trans	115.3	-166.2	-178.4	0	0	0	0	0	111.8	N537 P561 L562 S588 N589	N537-G553 CarbonylContact O-C 3.56Å; N537-G553 WeakPolarHBondContact O-CA 3.31Å; G553-P561 CarbonylContact O-C 3.42Å; G553-P561 WeakPolarHBondContact O-CA 3.36Å; G553-L562 PolarHBondContact O-N 2.93Å; G553-S588 PolarHBondContact N-O 2.98Å; G553-N589 WeakPolarHBondContact O-CB 3.37Å
554	Y	93.7	Very high	92.5	Very high	50 Å²	50	43.9 Å²	43.9	20%	0.196	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.8	-176.3	-176.5	-96.9	0	0	0	110.5	N537 I556 N559 E560	N537-Y554 PolarHBondContact N-O 3.07Å; N537-Y554 VanDerWaalsContact N-O 3.1Å; N537-Y554 PolarHBondContact O-N 2.86Å; N537-Y554 WeakPolarHBondContact OD1-CB 3.06Å; N537-Y554 PolarHBondContact OD1-O 2.77Å; Y554-I556 HydrophobicContact CD1-CG2 4.12Å; Y554-I556 HydrophobicContact CE1-CG2 4.1Å; Y554-N559 WeakPolarHBondContact OH-CA 3.3Å; Y554-N559 PolarHBondContact OH-O 2.81Å; Y554-N559 PolarHBondContact OH-OD1 2.79Å; Y554-E560 WeakPolarHBondContact CD2-O 3.38Å
555	S	90.4	Very high	92.5	Very high	8 Å²	8	42.6 Å²	42.6	6%	0.056	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.6	174.8	162	0	0	0	0	108.8	W557 T558 N559 E560	S555-W557 PolarHBondContact O-N 2.77Å; S555-T558 WeakPolarHBondContact CB-OG1 3.42Å; S555-T558 PolarHBondContact OG-N 3.41Å; S555-T558 PolarHBondContact OG-OG1 2.79Å; S555-N559 VanDerWaalsContact O-CA 3.3Å; S555-N559 WeakPolarHBondContact O-CA 3.4Å; S555-N559 PolarHBondContact O-N 2.86Å; S555-E560 PolarHBondContact N-O 3.1Å; S555-E560 VanDerWaalsContact N-O 3.09Å; S555-E560 PolarHBondContact O-N 3.24Å
556	I	86.3	Confident	92.7	Very high	41 Å²	41	37.1 Å²	37.1	21%	0.21	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.7	177.1	68	-178.6	0	0	0	112.5	R509 L511 Y554	R509-I556 HydrophobicContact CB-CD1 3.91Å; R509-I556 WeakPolarHBondContact O-CD1 3.35Å; L511-I556 HydrophobicContact CD1-CG1 4Å; L511-I556 HydrophobicContact CD2-CD1 3.83Å; L511-I556 HydrophobicContact CD2-CG1 3.82Å; L511-I556 HydrophobicContact CD2-CG2 4.22Å; L511-I556 HydrophobicContact CG-CD1 3.74Å; L511-I556 HydrophobicContact CG-CG1 3.65Å; Y554-I556 HydrophobicContact CD1-CG2 4.12Å; Y554-I556 HydrophobicContact CE1-CG2 4.1Å
557	W	84.1	Confident	92.7	Very high	189 Å²	189	34.7 Å²	34.7	72%	0.716	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-43.2	179.4	-62	113.4	0	0	0	112.2	L511 S555	L511-W557 HydrophobicContact CD1-CG 4.47Å; S555-W557 PolarHBondContact O-N 2.77Å
558	T	85.9	Confident	92.8	Very high	86 Å²	86	31.8 Å²	31.8	53%	0.528	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-14.1	177.8	55.4	0	0	0	0	111.8	S555 E560	S555-T558 WeakPolarHBondContact CB-OG1 3.42Å; S555-T558 PolarHBondContact OG-N 3.41Å; S555-T558 PolarHBondContact OG-OG1 2.79Å; T558-E560 WeakPolarHBondContact O-CG 3.45Å; T558-E560 PolarHBondContact O-N 2.9Å
559	N	87.5	Confident	92.7	Very high	112 Å²	112	32.4 Å²	32.4	60%	0.599	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	32	-175.1	-168.8	72	0	0	0	112.3	Y554 S555	Y554-N559 WeakPolarHBondContact OH-CA 3.3Å; Y554-N559 PolarHBondContact OH-O 2.81Å; Y554-N559 PolarHBondContact OH-OD1 2.79Å; S555-N559 VanDerWaalsContact O-CA 3.3Å; S555-N559 WeakPolarHBondContact O-CA 3.4Å; S555-N559 PolarHBondContact O-N 2.86Å
560	E	89.3	Confident	92.5	Very high	60 Å²	60	32 Å²	32	28%	0.28	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.9	-174.1	-66.9	-69.5	164.7	0	0	111.5	R298 Y554 S555 T558	R298-E560 IonicContact CZ-OE1 2.81Å; R298-E560 VanDerWaalsContact CZ-OE1 3.29Å; R298-E560 IonicContact CZ-OE2 3.23Å; R298-E560 VanDerWaalsContact NH1-CD 3.29Å; R298-E560 IonicContact NH1-OE1 2.65Å; R298-E560 PolarHBondContact NH1-OE1 2.67Å; R298-E560 IonicContact NH1-OE2 3.29Å; R298-E560 PolarHBondContact NH1-OE2 2.82Å; R298-E560 IonicContact NH2-OE1 3.64Å; Y554-E560 WeakPolarHBondContact CD2-O 3.38Å; S555-E560 PolarHBondContact N-O 3.1Å; S555-E560 VanDerWaalsContact N-O 3.09Å; S555-E560 PolarHBondContact O-N 3.24Å; T558-E560 WeakPolarHBondContact O-CG 3.45Å; T558-E560 PolarHBondContact O-N 2.9Å
561	P	93	Very high	92.2	Very high	20 Å²	20	34.1 Å²	34.1	13%	0.13	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	154.1	163.7	-18.5	31.7	0	0	0	111.4	G553 A587	G553-P561 CarbonylContact O-C 3.42Å; G553-P561 WeakPolarHBondContact O-CA 3.36Å; P561-A587 HydrophobicContact CB-CB 4.02Å; P561-A587 WeakPolarHBondContact O-CB 3.26Å
562	L	93.1	Very high	91.8	Very high	27 Å²	27	39.8 Å²	39.8	14%	0.141	21%	0.205	C	C	.	.			trans	-108	142.6	-178.5	-61.4	175.6	0	0	0	111	T534 Q536 G552 G553 A587 S588	T534-L562 HydrophobicContact CG2-CD1 4.25Å; Q536-L562 HydrophobicContact CB-CD1 3.48Å; Q536-L562 VanDerWaalsContact CB-CD1 3.48Å; G552-L562 WeakPolarHBondContact CA-O 3.36Å; G553-L562 PolarHBondContact O-N 2.93Å; L562-A587 WeakPolarHBondContact O-CA 3.38Å; L562-S588 PolarHBondContact O-N 3.43Å
563	A	92.6	Very high	91.2	Very high	30 Å²	30	48.1 Å²	48.1	25%	0.248	24%	0.244	C	C	.	.			trans	-102.9	7.6	173.8	0	0	0	0	0	112.7	T583 L584 A587	A563-T583 HydrophobicContact CB-CG2 3.93Å; A563-T583 WeakPolarHBondContact O-CG2 3.43Å; A563-L584 HydrophobicContact CB-CB 4.25Å; A563-L584 WeakPolarHBondContact O-CB 3.17Å; A563-L584 PolarHBondContact O-N 2.93Å; A563-A587 HydrophobicContact CB-CB 4.02Å
564	C	92.4	Very high	90.7	Very high	24 Å²	24	51 Å²	51	16%	0.162	27%	0.274	C	S	.	.			trans	-84.9	150.9	-177	61.8	0	0	0	0	112.1	Q536 G552 Y580	Q536-C564 PolarHBondContact OE1-SG 3.05Å; Q536-C564 VanDerWaalsContact OE1-SG 3.36Å; G552-C564 PolarHBondContact N-O 2.88Å; C564-Y580 HydrophobicContact CB-CD1 4.08Å; C564-Y580 HydrophobicContact CB-CE1 4.01Å
565	I	94.5	Very high	90.4	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.6	162	-62	-174.6	0	0	0	106.3	L290 W325 Y549 V550 V551 V567 Y580 G581 P582 L584	L290-I565 HydrophobicContact CD2-CD1 4.07Å; W325-I565 HydrophobicContact CH2-CD1 4.16Å; W325-I565 HydrophobicContact CZ2-CD1 3.65Å; Y549-I565 HydrophobicContact CD1-CG2 4.08Å; V550-I565 WeakPolarHBondContact O-CA 3.37Å; V551-I565 HydrophobicContact CB-CG1 4.45Å; V551-I565 HydrophobicContact CG1-CD1 4.15Å; V551-I565 HydrophobicContact CG1-CG1 4.11Å; V551-I565 HydrophobicContact CG2-CD1 4.2Å; V551-I565 HydrophobicContact CG2-CG1 4.22Å; V551-I565 HydrophobicContact CG2-CG2 4.19Å; I565-V567 HydrophobicContact CG2-CG2 4.13Å; I565-Y580 CarbonylContact O-C 3.52Å; I565-Y580 WeakPolarHBondContact O-CA 3.33Å; I565-G581 PolarHBondContact O-N 3.15Å; I565-P582 WeakPolarHBondContact CB-O 3.33Å; I565-P582 HydrophobicContact CD1-CG 4.42Å; I565-P582 WeakPolarHBondContact CD1-O 3.19Å; I565-P582 WeakPolarHBondContact CG1-O 3.46Å; I565-L584 HydrophobicContact CD1-CD2 4.02Å; I565-L584 HydrophobicContact CD1-CG 4.28Å; I565-L584 HydrophobicContact CG1-CD2 4.32Å; I565-L584 HydrophobicContact CG1-CG 4.07Å
566	Q	95.5	Very high	90.5	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.3	173.1	-63	-175.7	75.2	0	0	107.9	L532 T534 V550 V578 Y580	L532-Q566 HydrophobicContact CD2-CB 4.4Å; T534-Q566 PolarHBondContact O-NE2 2.91Å; V550-Q566 PolarHBondContact N-O 2.88Å; V550-Q566 PolarHBondContact O-N 3.27Å; Q566-V578 HydrophobicContact CB-CG1 4.48Å; Q566-Y580 HydrophobicContact CG-CD1 4Å; Q566-Y580 HydrophobicContact CG-CE1 3.82Å
567	V	96	Very high	90.8	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.4	-179.6	-173.1	0	0	0	0	108	R547 I548 Y549 I565 V578 F579	R547-V567 HydrophobicContact CB-CG1 3.98Å; R547-V567 HydrophobicContact CG-CG1 4.29Å; I548-V567 WeakPolarHBondContact O-CA 2.91Å; Y549-V567 HydrophobicContact CD1-CG1 4.4Å; Y549-V567 HydrophobicContact CD1-CG2 3.62Å; Y549-V567 HydrophobicContact CE1-CG1 4.12Å; Y549-V567 HydrophobicContact CE1-CG2 3.67Å; Y549-V567 HydrophobicContact CE2-CG1 4.49Å; Y549-V567 HydrophobicContact CG-CG2 4.43Å; I565-V567 HydrophobicContact CG2-CG2 4.13Å; V567-V578 VanDerWaalsContact O-CA 3.29Å; V567-V578 WeakPolarHBondContact O-CA 3.37Å; V567-F579 HydrophobicContact CB-CD2 4.18Å; V567-F579 HydrophobicContact CB-CE1 4.34Å; V567-F579 HydrophobicContact CB-CE2 3.74Å; V567-F579 HydrophobicContact CB-CZ 3.83Å; V567-F579 HydrophobicContact CG1-CE1 4.3Å; V567-F579 HydrophobicContact CG1-CE2 4.15Å; V567-F579 HydrophobicContact CG1-CZ 3.77Å; V567-F579 HydrophobicContact CG2-CE2 4.07Å; V567-F579 PolarHBondContact N-O 3.1Å; V567-F579 PolarHBondContact O-N 3.16Å
568	L	96.3	Very high	91.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.4	167.6	166.6	61	0	0	0	107.9	Y496 L498 I515 F530 R547 I548 L570 E577 V578	Y496-L568 HydrophobicContact CD1-CD2 4.33Å; L498-L568 HydrophobicContact CD2-CD2 3.99Å; I515-L568 HydrophobicContact CD1-CD2 4.4Å; F530-L568 HydrophobicContact CD2-CD1 3.83Å; F530-L568 HydrophobicContact CE2-CD1 3.32Å; F530-L568 HydrophobicContact CE2-CD2 4.06Å; F530-L568 HydrophobicContact CE2-CG 4.35Å; F530-L568 HydrophobicContact CZ-CD1 3.98Å; R547-L568 CarbonylContact C-O 3.52Å; R547-L568 VanDerWaalsContact CA-O 3.27Å; R547-L568 WeakPolarHBondContact CA-O 3.36Å; I548-L568 HydrophobicContact CB-CB 4.26Å; I548-L568 HydrophobicContact CD1-CD2 4.02Å; I548-L568 PolarHBondContact N-O 3.01Å; I548-L568 PolarHBondContact O-N 2.96Å; L568-L570 HydrophobicContact CD1-CD2 3.85Å; L568-L570 HydrophobicContact CD1-CG 4.41Å; L568-L570 HydrophobicContact CD2-CD1 4.38Å; L568-L570 HydrophobicContact CD2-CD2 4.16Å; L568-L570 HydrophobicContact CD2-CG 4.39Å; L568-L570 HydrophobicContact CG-CD1 4.46Å; L568-L570 HydrophobicContact CG-CD2 3.91Å; L568-L570 HydrophobicContact CG-CG 4.01Å; L568-E577 WeakPolarHBondContact CA-O 3.49Å; L568-V578 HydrophobicContact CB-CG2 4.32Å; L568-V578 HydrophobicContact CD1-CG2 3.81Å
569	D	94.9	Very high	91.7	Very high	13 Å²	13	52.9 Å²	52.9	7%	0.07	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119.2	177.8	-165.4	-26.2	0	0	0	110.5	R547 S571 E576 E577 F579	R547-D569 HydrophobicContact CG-CB 4.2Å; R547-D569 IonicContact CZ-OD2 3.89Å; R547-D569 VanDerWaalsContact CZ-OD2 3.3Å; R547-D569 IonicContact NE-OD1 3.17Å; R547-D569 IonicContact NE-OD2 3.7Å; R547-D569 PolarHBondContact NE-OD2 3.06Å; R547-D569 IonicContact NH2-OD2 2.75Å; R547-D569 PolarHBondContact NH2-OD2 3.2Å; D569-S571 WeakPolarHBondContact OD1-CB 3.35Å; D569-S571 PolarHBondContact OD1-N 3.19Å; D569-S571 PolarHBondContact OD1-OG 2.83Å; D569-E576 WeakPolarHBondContact O-CA 3.46Å; D569-E577 HydrophobicContact CB-CG 4.27Å; D569-E577 PolarHBondContact N-O 2.91Å; D569-E577 PolarHBondContact O-N 3.47Å; D569-F579 HydrophobicContact CB-CE1 3.98Å
570	L	94.2	Very high	91.9	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	28%	0.276	C	S	.	.			trans	-115.2	12	178.1	-53.4	169.6	0	0	0	111.7	V491 R492 Y496 F530 D546 I548 L568 M572 E576	V491-L570 HydrophobicContact CB-CD1 3.84Å; V491-L570 HydrophobicContact CG1-CB 4.32Å; V491-L570 HydrophobicContact CG1-CD1 3.85Å; V491-L570 HydrophobicContact CG2-CD1 4.03Å; R492-L570 VanDerWaalsContact CZ-O 3.31Å; R492-L570 PolarHBondContact NH1-O 3.17Å; R492-L570 VanDerWaalsContact NH1-O 3.08Å; R492-L570 PolarHBondContact NH2-O 2.91Å; Y496-L570 HydrophobicContact CD2-CD1 4.08Å; Y496-L570 HydrophobicContact CE1-CD1 4.13Å; Y496-L570 HydrophobicContact CE1-CD2 4.26Å; Y496-L570 HydrophobicContact CE2-CD1 3.48Å; Y496-L570 VanDerWaalsContact CE2-CD1 3.48Å; F530-L570 HydrophobicContact CZ-CD2 4.35Å; D546-L570 WeakPolarHBondContact O-CA 3.35Å; D546-L570 VanDerWaalsContact O-CB 3.26Å; D546-L570 WeakPolarHBondContact O-CB 3.5Å; D546-L570 PolarHBondContact O-N 3.32Å; I548-L570 HydrophobicContact CD1-CD1 3.86Å; I548-L570 HydrophobicContact CG1-CD1 4.44Å; L568-L570 HydrophobicContact CD1-CD2 3.85Å; L568-L570 HydrophobicContact CD1-CG 4.41Å; L568-L570 HydrophobicContact CD2-CD1 4.38Å; L568-L570 HydrophobicContact CD2-CD2 4.16Å; L568-L570 HydrophobicContact CD2-CG 4.39Å; L568-L570 HydrophobicContact CG-CD1 4.46Å; L568-L570 HydrophobicContact CG-CD2 3.91Å; L568-L570 HydrophobicContact CG-CG 4.01Å; L570-M572 VanDerWaalsContact C-N 3.33Å; L570-M572 PolarHBondContact O-N 3.28Å; L570-E576 HydrophobicContact CD2-CB 4.2Å; L570-E576 HydrophobicContact CD2-CG 3.73Å
571	S	89.9	Confident	91.9	Very high	45 Å²	45	51.3 Å²	51.3	32%	0.315	27%	0.272	S	S	.	.	S	Bend	trans	-63.2	-38.8	-175.7	61.8	0	0	0	0	112.2	R492 D569	R492-S571 PolarHBondContact NH2-O 2.81Å; D569-S571 WeakPolarHBondContact OD1-CB 3.35Å; D569-S571 PolarHBondContact OD1-N 3.19Å; D569-S571 PolarHBondContact OD1-OG 2.83Å
572	M	87.5	Confident	91.5	Very high	120 Å²	120	51.3 Å²	51.3	59%	0.591	27%	0.272	S	S	*	.	S	Bend	trans	-110.1	113.5	178.9	-63.5	-165.8	-173.8	0	0	111.4	L570 G574 K575	L570-M572 VanDerWaalsContact C-N 3.33Å; L570-M572 PolarHBondContact O-N 3.28Å; M572-G574 PolarHBondContact O-N 2.88Å; M572-K575 HydrophobicContact CB-CB 4.1Å; M572-K575 PolarHBondContact O-N 3.4Å; M572-K575 VanDerWaalsContact O-N 3.11Å; M572-K575 HydrophobicContact SD-CD 4.41Å
573	E	83.5	Confident	91.3	Very high	175 Å²	175	54.2 Å²	54.2	82%	0.818	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	130.9	177.8	-169.6	175.3	-174.6	0	0	111.3	K575	E573-K575 PolarHBondContact O-N 3.24Å
574	G	83.6	Confident	91.2	Very high	61 Å²	61	53.1 Å²	53.1	63%	0.629	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	3.6	-178	0	0	0	0	0	115.1	M572 E576	M572-G574 PolarHBondContact O-N 2.88Å; G574-E576 WeakPolarHBondContact CA-OE2 3.47Å; G574-E576 PolarHBondContact N-OE1 2.91Å; G574-E576 PolarHBondContact N-OE2 2.88Å
575	K	87.1	Confident	91	Very high	156 Å²	156	54.5 Å²	54.5	68%	0.678	29%	0.29	S	S	*	.			trans	-127	33.2	173.4	-65.1	-175.5	-179.2	176	0	111.4	M572 E573 E577	M572-K575 HydrophobicContact CB-CB 4.1Å; M572-K575 PolarHBondContact O-N 3.4Å; M572-K575 VanDerWaalsContact O-N 3.11Å; M572-K575 HydrophobicContact SD-CD 4.41Å; E573-K575 PolarHBondContact O-N 3.24Å; K575-E577 PolarHBondContact O-N 2.69Å
576	E	92.7	Very high	90.7	Very high	65 Å²	65	55.9 Å²	55.9	30%	0.304	30%	0.296	S	S	.	.			trans	-64.3	132.6	179.3	-56.3	80.6	-177.5	0	0	110.4	F530 D569 L570 G574	F530-E576 HydrophobicContact CD1-CB 3.97Å; F530-E576 HydrophobicContact CE1-CB 3.4Å; F530-E576 VanDerWaalsContact CE1-CB 3.4Å; F530-E576 HydrophobicContact CE1-CG 3.96Å; F530-E576 HydrophobicContact CZ-CB 3.77Å; F530-E576 HydrophobicContact CZ-CG 4.2Å; D569-E576 WeakPolarHBondContact O-CA 3.46Å; L570-E576 HydrophobicContact CD2-CB 4.2Å; L570-E576 HydrophobicContact CD2-CG 3.73Å; G574-E576 WeakPolarHBondContact CA-OE2 3.47Å; G574-E576 PolarHBondContact N-OE1 2.91Å; G574-E576 PolarHBondContact N-OE2 2.88Å
577	E	92.8	Very high	90.6	Very high	102 Å²	102	57.7 Å²	57.7	48%	0.477	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	154.6	-180	63.4	172.2	-178.1	0	0	112.6	L568 D569 K575 F579	L568-E577 WeakPolarHBondContact CA-O 3.49Å; D569-E577 HydrophobicContact CB-CG 4.27Å; D569-E577 PolarHBondContact N-O 2.91Å; D569-E577 PolarHBondContact O-N 3.47Å; K575-E577 PolarHBondContact O-N 2.69Å; E577-F579 HydrophobicContact CG-CD1 4.02Å; E577-F579 HydrophobicContact CG-CE1 4.37Å
578	V	95.1	Very high	90.4	Very high	21 Å²	21	57.6 Å²	57.6	13%	0.127	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.6	172.2	-173.7	0	0	0	0	108.7	I515 F530 L533 Q566 V567 L568	I515-V578 HydrophobicContact CD1-CG2 4.13Å; F530-V578 HydrophobicContact CD2-CG2 4.02Å; L533-V578 HydrophobicContact CG-CG1 4.03Å; Q566-V578 HydrophobicContact CB-CG1 4.48Å; V567-V578 VanDerWaalsContact O-CA 3.29Å; V567-V578 WeakPolarHBondContact O-CA 3.37Å; L568-V578 HydrophobicContact CB-CG2 4.32Å; L568-V578 HydrophobicContact CD1-CG2 3.81Å
579	F	94	Very high	90.3	Very high	68 Å²	68	57.8 Å²	57.8	30%	0.298	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	164	177.5	58.8	-93.4	0	0	0	111.6	V567 D569 E577	V567-F579 HydrophobicContact CB-CD2 4.18Å; V567-F579 HydrophobicContact CB-CE1 4.34Å; V567-F579 HydrophobicContact CB-CE2 3.74Å; V567-F579 HydrophobicContact CB-CZ 3.83Å; V567-F579 HydrophobicContact CG1-CE1 4.3Å; V567-F579 HydrophobicContact CG1-CE2 4.15Å; V567-F579 HydrophobicContact CG1-CZ 3.77Å; V567-F579 HydrophobicContact CG2-CE2 4.07Å; V567-F579 PolarHBondContact N-O 3.1Å; V567-F579 PolarHBondContact O-N 3.16Å; D569-F579 HydrophobicContact CB-CE1 3.98Å; E577-F579 HydrophobicContact CG-CD1 4.02Å; E577-F579 HydrophobicContact CG-CE1 4.37Å
580	Y	93	Very high	90.2	Very high	119 Å²	119	57.4 Å²	57.4	47%	0.467	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	123.4	171.4	-71.5	-67.3	0	0	0	110	L533 T534 C564 I565 Q566	L533-Y580 HydrophobicContact CB-CE1 4.2Å; L533-Y580 HydrophobicContact CB-CE2 3.91Å; L533-Y580 WeakPolarHBondContact CB-OH 3.45Å; L533-Y580 HydrophobicContact CD1-CD1 4.3Å; L533-Y580 HydrophobicContact CD1-CD2 3.52Å; L533-Y580 HydrophobicContact CD1-CE1 4.23Å; L533-Y580 HydrophobicContact CD1-CE2 3.45Å; L533-Y580 VanDerWaalsContact CD1-CE2 3.45Å; L533-Y580 HydrophobicContact CD1-CG 3.96Å; L533-Y580 HydrophobicContact CG-CE2 4.33Å; T534-Y580 PolarHBondContact OG1-OH 3.36Å; C564-Y580 HydrophobicContact CB-CD1 4.08Å; C564-Y580 HydrophobicContact CB-CE1 4.01Å; I565-Y580 CarbonylContact O-C 3.52Å; I565-Y580 WeakPolarHBondContact O-CA 3.33Å; Q566-Y580 HydrophobicContact CG-CD1 4Å; Q566-Y580 HydrophobicContact CG-CE1 3.82Å
581	G	88.2	Confident	90.3	Very high	20 Å²	20	57.4 Å²	57.4	21%	0.206	31%	0.311	C	S	.	.			trans	-78.1	-165.8	166.4	0	0	0	0	0	111.9	I565	I565-G581 PolarHBondContact O-N 3.15Å
582	P	85.1	Confident	90.6	Very high	20 Å²	20	55.7 Å²	55.7	13%	0.13	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-62.9	145.3	178.3	29.2	-37.8	0	0	0	111.5	F309 I565	F309-P582 HydrophobicContact CD1-CG 3.97Å; F309-P582 HydrophobicContact CE1-CB 4.44Å; F309-P582 HydrophobicContact CE1-CG 3.53Å; F309-P582 HydrophobicContact CE2-CB 4.22Å; F309-P582 HydrophobicContact CE2-CG 4.15Å; F309-P582 HydrophobicContact CG-CG 4.46Å; F309-P582 HydrophobicContact CZ-CB 4.07Å; F309-P582 HydrophobicContact CZ-CG 3.64Å; I565-P582 WeakPolarHBondContact CB-O 3.33Å; I565-P582 HydrophobicContact CD1-CG 4.42Å; I565-P582 WeakPolarHBondContact CD1-O 3.19Å; I565-P582 WeakPolarHBondContact CG1-O 3.46Å
583	T	88.6	Confident	91	Very high	88 Å²	88	50.3 Å²	50.3	54%	0.54	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-68.3	139.1	175.7	-48.2	0	0	0	0	110.3	S323 W325 A563	S323-T583 WeakPolarHBondContact CB-O 3.4Å; S323-T583 PolarHBondContact OG-O 2.98Å; W325-T583 PolarHBondContact NE1-O 3.41Å; A563-T583 HydrophobicContact CB-CG2 3.93Å; A563-T583 WeakPolarHBondContact O-CG2 3.43Å
584	L	90.4	Very high	91.7	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.042	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-59.5	151.5	169.6	-75.7	173.3	0	0	0	110.9	I292 W325 V551 A563 I565 F586	I292-L584 HydrophobicContact CD1-CD2 3.63Å; I292-L584 HydrophobicContact CG2-CD2 4.3Å; W325-L584 HydrophobicContact CH2-CD2 4.16Å; W325-L584 HydrophobicContact CZ2-CD2 3.8Å; V551-L584 HydrophobicContact CG1-CD1 3.93Å; V551-L584 HydrophobicContact CG1-CD2 3.69Å; V551-L584 HydrophobicContact CG1-CG 4.18Å; A563-L584 HydrophobicContact CB-CB 4.25Å; A563-L584 WeakPolarHBondContact O-CB 3.17Å; A563-L584 PolarHBondContact O-N 2.93Å; I565-L584 HydrophobicContact CD1-CD2 4.02Å; I565-L584 HydrophobicContact CD1-CG 4.28Å; I565-L584 HydrophobicContact CG1-CD2 4.32Å; I565-L584 HydrophobicContact CG1-CG 4.07Å; L584-F586 VanDerWaalsContact CB-O 3.25Å; L584-F586 WeakPolarHBondContact CB-O 3.39Å; L584-F586 PolarHBondContact O-N 3.4Å; L584-F586 VanDerWaalsContact O-N 3.14Å
585	P	88.3	Confident	92.3	Very high	52 Å²	52	40.7 Å²	40.7	34%	0.338	21%	0.213	S	C	.	.	S	Bend	trans	-68.2	-15	178.2	26	-24.2	0	0	0	111.9	I292 R307 W325	I292-P585 HydrophobicContact CD1-CG 4.23Å; R307-P585 VanDerWaalsContact CD-CG 3.43Å; W325-P585 HydrophobicContact CB-CB 4.13Å; W325-P585 HydrophobicContact CB-CG 3.97Å; W325-P585 VanDerWaalsContact CD1-CD 3.44Å; W325-P585 HydrophobicContact CD2-CG 4.14Å; W325-P585 HydrophobicContact CG-CB 4.11Å; W325-P585 HydrophobicContact CG-CG 3.72Å
586	F	89.1	Confident	92.6	Very high	30 Å²	30	33.3 Å²	33.3	13%	0.132	18%	0.181	C	C	.	.	S	Bend	trans	-157	154.2	174.5	52.9	-95.4	0	0	0	110.1	K297 V303 E305 L584	K297-F586 HydrophobicContact CD-CB 4.45Å; K297-F586 HydrophobicContact CD-CD2 3.96Å; K297-F586 HydrophobicContact CD-CE2 4.31Å; K297-F586 HydrophobicContact CD-CG 4.12Å; K297-F586 VanDerWaalsContact CE-CD1 3.48Å; K297-F586 VanDerWaalsContact CE-CZ 3.5Å; K297-F586 HydrophobicContact CG-CD2 3.69Å; K297-F586 HydrophobicContact CG-CE2 4.07Å; K297-F586 HydrophobicContact CG-CG 4.3Å; V303-F586 HydrophobicContact CG1-CZ 4.1Å; V303-F586 HydrophobicContact CG2-CE2 4.44Å; E305-F586 WeakPolarHBondContact OE2-CE1 3.49Å; L584-F586 VanDerWaalsContact CB-O 3.25Å; L584-F586 WeakPolarHBondContact CB-O 3.39Å; L584-F586 PolarHBondContact O-N 3.4Å; L584-F586 VanDerWaalsContact O-N 3.14Å
587	A	91.7	Very high	92.4	Very high	39 Å²	39	30.3 Å²	30.3	32%	0.322	17%	0.167	S	C	.	.			trans	-71.2	130.7	171.7	0	0	0	0	0	110.7	P561 L562 A563	P561-A587 HydrophobicContact CB-CB 4.02Å; P561-A587 WeakPolarHBondContact O-CB 3.26Å; L562-A587 WeakPolarHBondContact O-CA 3.38Å; A563-A587 HydrophobicContact CB-CB 4.02Å
588	S	93.1	Very high	91.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.			trans	-152.7	141.5	-174.6	-165.1	0	0	0	0	112.7	R296 G553 L562	R296-S588 PolarHBondContact N-OG 2.89Å; R296-S588 WeakPolarHBondContact O-CA 3.25Å; R296-S588 PolarHBondContact O-OG 3.04Å; G553-S588 PolarHBondContact N-O 2.98Å; L562-S588 PolarHBondContact O-N 3.43Å
589	N	93.4	Very high	91.1	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.032	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-119.4	160.4	167.5	67.8	-53.9	0	0	0	111.1	G295 R296 E538 G553 I591	G295-N589 WeakPolarHBondContact CA-O 3.47Å; R296-N589 PolarHBondContact N-O 3.09Å; R296-N589 PolarHBondContact O-N 3.14Å; R296-N589 PolarHBondContact O-OD1 2.78Å; E538-N589 HydrophobicContact CB-CB 4.28Å; E538-N589 PolarHBondContact OE2-ND2 3.02Å; G553-N589 WeakPolarHBondContact O-CB 3.37Å; N589-I591 PolarHBondContact O-N 2.9Å
590	G	93.6	Very high	90.1	Very high	5 Å²	5	23.6 Å²	23.6	5%	0.052	13%	0.134	C	C	.	.	S	Bend	trans	63.1	24.3	-175.2	0	0	0	0	0	113	G295 H337 E538	G295-G590 WeakPolarHBondContact CA-O 3.37Å; H337-G590 PolarHBondContact N-O 2.83Å; E538-G590 PolarHBondContact O-N 3.47Å
591	I	95.1	Very high	89	Confident	6 Å²	6	22.7 Å²	22.7	3%	0.031	13%	0.133	C	C	.	.			trans	-80.2	145.6	174.1	-164.9	164.2	0	0	0	109.3	I292 G540 V551 N589	I292-I591 HydrophobicContact CB-CD1 3.72Å; I292-I591 HydrophobicContact CB-CG1 4.24Å; I292-I591 HydrophobicContact CD1-CD1 4.01Å; I292-I591 HydrophobicContact CG1-CD1 4.23Å; I292-I591 HydrophobicContact CG2-CD1 4.31Å; G540-I591 WeakPolarHBondContact CA-O 3.15Å; G540-I591 PolarHBondContact N-O 3.26Å; V551-I591 HydrophobicContact CG1-CG2 4.45Å; V551-I591 WeakPolarHBondContact O-CG2 3.47Å; N589-I591 PolarHBondContact O-N 2.9Å
592	A	96.6	Very high	88.1	Confident	8 Å²	8	22.6 Å²	22.6	7%	0.066	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	147	172.3	0	0	0	0	0	109.6	I292 A293 I340	I292-A592 WeakPolarHBondContact CA-O 3.41Å; A293-A592 PolarHBondContact N-O 3.31Å; A293-A592 PolarHBondContact O-N 3.1Å; A293-A592 VanDerWaalsContact O-N 3.16Å; I340-A592 HydrophobicContact CB-CB 4.2Å; I340-A592 HydrophobicContact CD1-CB 3.81Å; I340-A592 HydrophobicContact CG1-CB 3.84Å; I340-A592 HydrophobicContact CG2-CB 3.52Å
593	T	97.1	Very high	87.6	Confident	7 Å²	7	21.6 Å²	21.6	4%	0.043	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	144.1	-174.8	-172.4	0	0	0	0	112	L290 Y291 I340 G540 V541 A542 V551	L290-T593 WeakPolarHBondContact CD1-OG1 3.17Å; Y291-T593 CarbonylContact O-C 3.56Å; Y291-T593 WeakPolarHBondContact O-CA 3.43Å; Y291-T593 PolarHBondContact O-OG1 2.83Å; I340-T593 VanDerWaalsContact CD1-C 3.44Å; I340-T593 WeakPolarHBondContact CD1-O 3.33Å; G540-T593 VanDerWaalsContact C-CG2 3.43Å; V541-T593 VanDerWaalsContact N-CG2 3.26Å; V541-T593 VanDerWaalsContact O-O 3.12Å; A542-T593 HydrophobicContact CB-CG2 3.94Å; V551-T593 HydrophobicContact CB-CG2 3.99Å; V551-T593 HydrophobicContact CG2-CG2 3.8Å
594	C	97.2	Very high	86.5	Confident	13 Å²	13	20.7 Å²	20.7	9%	0.088	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	164.8	-178.7	63.8	0	0	0	0	111	Y291 I340 V342	Y291-C594 PolarHBondContact N-O 2.98Å; Y291-C594 PolarHBondContact O-N 3.22Å; I340-C594 HydrophobicContact CD1-CB 3.65Å; I340-C594 HydrophobicContact CG1-CB 4.38Å; V342-C594 HydrophobicContact CG2-CB 3.87Å
595	F	95.5	Very high	85.4	Confident	22 Å²	22	24.1 Å²	24.1	10%	0.096	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	133.7	168	-80.6	-89	0	0	0	111.1	L288 T289 L290 P311 A542 V543 H544 Y549	L288-F595 HydrophobicContact CB-CB 4.34Å; L288-F595 HydrophobicContact CB-CD1 4.06Å; L288-F595 HydrophobicContact CD1-CB 4.49Å; T289-F595 WeakPolarHBondContact O-CA 3.3Å; T289-F595 WeakPolarHBondContact O-CD1 3.45Å; L290-F595 HydrophobicContact CB-CD1 4.49Å; L290-F595 HydrophobicContact CB-CE1 3.91Å; L290-F595 HydrophobicContact CB-CZ 3.98Å; L290-F595 HydrophobicContact CD1-CD2 4.14Å; L290-F595 HydrophobicContact CD1-CE1 4.44Å; L290-F595 HydrophobicContact CD1-CE2 3.67Å; L290-F595 HydrophobicContact CD1-CZ 3.84Å; L290-F595 HydrophobicContact CG-CZ 4.44Å; P311-F595 HydrophobicContact CG-CE1 3.83Å; P311-F595 HydrophobicContact CG-CZ 4.13Å; A542-F595 HydrophobicContact CB-CD2 3.77Å; A542-F595 HydrophobicContact CB-CE2 3.95Å; V543-F595 WeakPolarHBondContact O-CD2 3.14Å; H544-F595 HydrophobicContact CB-CB 4.49Å; H544-F595 HydrophobicContact CB-CD1 3.77Å; H544-F595 HydrophobicContact CB-CD2 3.46Å; H544-F595 VanDerWaalsContact CB-CD2 3.46Å; H544-F595 HydrophobicContact CB-CE1 3.72Å; H544-F595 HydrophobicContact CB-CE2 3.41Å; H544-F595 VanDerWaalsContact CB-CE2 3.41Å; H544-F595 HydrophobicContact CB-CG 3.64Å; H544-F595 HydrophobicContact CB-CZ 3.55Å; H544-F595 AromaticContact CD2-CD1 3.69Å; H544-F595 AromaticContact CD2-CE1 3.45Å; H544-F595 VanDerWaalsContact CD2-CE1 3.45Å; H544-F595 WeakPolarHBondContact CD2-CE1 3.35Å; H544-F595 AromaticContact CG-CD1 3.81Å; H544-F595 AromaticContact CG-CE1 3.84Å; Y549-F595 AromaticContact CD2-CE2 3.57Å; Y549-F595 HydrophobicContact CD2-CE2 3.57Å; Y549-F595 AromaticContact CD2-CZ 3.77Å; Y549-F595 HydrophobicContact CD2-CZ 3.77Å; Y549-F595 HydrophobicContact CE1-CZ 4.42Å; Y549-F595 AromaticContact CE2-CE2 3.8Å; Y549-F595 HydrophobicContact CE2-CE2 3.8Å; Y549-F595 AromaticContact CE2-CZ 3.58Å; Y549-F595 HydrophobicContact CE2-CZ 3.58Å; Y549-F595 HydrophobicContact CG-CE2 4.17Å; Y549-F595 HydrophobicContact CG-CZ 4.28Å; Y549-F595 AromaticContact CZ-CZ 3.95Å
596	L	93.4	Very high	84.4	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	154.8	177.5	-79.4	160.7	0	0	0	110.5	T289 Y291 V342 L347 A598	T289-L596 PolarHBondContact N-O 3.21Å; T289-L596 PolarHBondContact O-N 3.07Å; T289-L596 VanDerWaalsContact O-N 3.08Å; T289-L596 PolarHBondContact OG1-O 3.19Å; Y291-L596 HydrophobicContact CD2-CB 3.72Å; Y291-L596 HydrophobicContact CD2-CD1 4.31Å; Y291-L596 HydrophobicContact CE2-CB 3.54Å; Y291-L596 HydrophobicContact CG-CD1 4.32Å; V342-L596 HydrophobicContact CB-CD2 4.2Å; V342-L596 HydrophobicContact CG1-CD2 3.43Å; V342-L596 VanDerWaalsContact CG1-CD2 3.43Å; V342-L596 HydrophobicContact CG1-CG 4.41Å; V342-L596 HydrophobicContact CG2-CD1 4.2Å; V342-L596 HydrophobicContact CG2-CD2 3.71Å; V342-L596 HydrophobicContact CG2-CG 3.84Å; L347-L596 HydrophobicContact CB-CD1 3.62Å; L347-L596 HydrophobicContact CD1-CD1 4.33Å; L347-L596 HydrophobicContact CD2-CD1 4.36Å; L347-L596 HydrophobicContact CG-CD1 4.32Å; L596-A598 PolarHBondContact O-N 2.77Å
597	P	89.4	Confident	82.9	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	134.7	163.4	-24.8	36	0	0	0	110.2	F285 L288 Y291 D345 P599	F285-P597 HydrophobicContact CB-CB 4.28Å; F285-P597 HydrophobicContact CD1-CB 3.66Å; F285-P597 HydrophobicContact CD1-CG 4.17Å; F285-P597 HydrophobicContact CD2-CB 4.26Å; F285-P597 HydrophobicContact CE1-CB 4.05Å; F285-P597 HydrophobicContact CE1-CG 4.03Å; F285-P597 HydrophobicContact CG-CB 3.79Å; F285-P597 HydrophobicContact CZ-CB 4.5Å; F285-P597 HydrophobicContact CZ-CG 4.29Å; L288-P597 HydrophobicContact CD2-CG 3.91Å; Y291-P597 PolarHBondContact OH-O 2.89Å; D345-P597 HydrophobicContact CB-CG 4.15Å; P597-P599 WeakPolarHBondContact O-CD 3.48Å
598	A	82.4	Confident	81	Confident	5 Å²	5	28.9 Å²	28.9	4%	0.041	15%	0.154	C	C	.	.			trans	-107.1	99.4	169.5	0	0	0	0	0	109.5	T289 Y291 L596 Y600 C603 L606	T289-A598 HydrophobicContact CG2-CB 3.64Å; T289-A598 VanDerWaalsContact OG1-CB 3.26Å; T289-A598 WeakPolarHBondContact OG1-CB 3.19Å; Y291-A598 WeakPolarHBondContact OH-CA 3.25Å; L596-A598 PolarHBondContact O-N 2.77Å; A598-Y600 PolarHBondContact O-N 2.67Å; A598-C603 HydrophobicContact CB-CB 4.13Å; A598-L606 HydrophobicContact CB-CD1 3.42Å; A598-L606 VanDerWaalsContact CB-CD1 3.42Å
599	P	78.6	Confident	78.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.			trans	-68.7	128.4	178.1	-15.4	30.3	0	0	0	109.6	P283 P372 P597 F601 T602 C603	P283-P599 HydrophobicContact CB-CB 3.86Å; P283-P599 HydrophobicContact CB-CG 3.5Å; P283-P599 VanDerWaalsContact CB-CG 3.5Å; P283-P599 HydrophobicContact CG-CG 3.84Å; P372-P599 HydrophobicContact CB-CG 4.1Å; P372-P599 WeakPolarHBondContact O-CG 3.33Å; P597-P599 WeakPolarHBondContact O-CD 3.48Å; P599-F601 VanDerWaalsContact C-N 3.3Å; P599-F601 HydrophobicContact CB-CD1 4.3Å; P599-F601 HydrophobicContact CB-CD2 4.24Å; P599-F601 HydrophobicContact CB-CE1 3.67Å; P599-F601 HydrophobicContact CB-CE2 3.55Å; P599-F601 HydrophobicContact CB-CZ 3.25Å; P599-F601 HydrophobicContact CG-CE2 4.36Å; P599-F601 HydrophobicContact CG-CZ 4.15Å; P599-F601 PolarHBondContact O-N 2.85Å; P599-T602 PolarHBondContact O-N 3.17Å; P599-T602 PolarHBondContact O-OG1 2.91Å; P599-C603 WeakPolarHBondContact O-CB 3.37Å; P599-C603 PolarHBondContact O-N 3.37Å
600	Y	72.8	Confident	75.5	Confident	46 Å²	46	43.2 Å²	43.2	18%	0.18	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-39.8	-173.9	172.8	-80.1	0	0	0	114.4	T199 A598 T602 C603 P604 Q607	T199-Y600 VanDerWaalsContact O-CD1 3.24Å; T199-Y600 WeakPolarHBondContact O-CD1 3.5Å; A598-Y600 PolarHBondContact O-N 2.67Å; Y600-T602 PolarHBondContact O-N 2.76Å; Y600-C603 CarbonylContact O-C 3.38Å; Y600-C603 PolarHBondContact O-N 3.33Å; Y600-P604 WeakPolarHBondContact O-CA 3.25Å; Y600-P604 VanDerWaalsContact O-N 3.13Å; Y600-Q607 HydrophobicContact CD2-CG 3.81Å; Y600-Q607 HydrophobicContact CE1-CG 3.79Å; Y600-Q607 HydrophobicContact CE2-CB 3.9Å; Y600-Q607 HydrophobicContact CE2-CG 2.97Å; Y600-Q607 VanDerWaalsContact CZ-CD 3.4Å; Y600-Q607 WeakPolarHBondContact OH-CG 3.37Å; Y600-Q607 PolarHBondContact OH-NE2 3.1Å
601	F	69.6	Low	72.4	Confident	100 Å²	100	48.1 Å²	48.1	44%	0.439	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.7	178.4	47.2	-98.4	0	0	0	113.1	R373 P599	R373-F601 HydrophobicContact CB-CE2 4.47Å; R373-F601 WeakPolarHBondContact O-CE2 3.35Å; P599-F601 VanDerWaalsContact C-N 3.3Å; P599-F601 HydrophobicContact CB-CD1 4.3Å; P599-F601 HydrophobicContact CB-CD2 4.24Å; P599-F601 HydrophobicContact CB-CE1 3.67Å; P599-F601 HydrophobicContact CB-CE2 3.55Å; P599-F601 HydrophobicContact CB-CZ 3.25Å; P599-F601 HydrophobicContact CG-CE2 4.36Å; P599-F601 HydrophobicContact CG-CZ 4.15Å; P599-F601 PolarHBondContact O-N 2.85Å
602	T	70.1	Confident	69.2	Low	17 Å²	17	52.7 Å²	52.7	10%	0.104	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-19.4	170.1	58	0	0	0	0	113.7	L328 P372 N375 P599 Y600 P604	L328-T602 WeakPolarHBondContact CD2-O 3.42Å; P372-T602 WeakPolarHBondContact O-CG2 3.24Å; P372-T602 PolarHBondContact O-OG1 2.98Å; P372-T602 VanDerWaalsContact O-OG1 3.05Å; N375-T602 HydrophobicContact CB-CG2 3.78Å; P599-T602 PolarHBondContact O-N 3.17Å; P599-T602 PolarHBondContact O-OG1 2.91Å; Y600-T602 PolarHBondContact O-N 2.76Å; T602-P604 VanDerWaalsContact C-CD 3.43Å; T602-P604 WeakPolarHBondContact O-CD 3.33Å
603	C	73.5	Confident	66	Low	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.318	C	S	.	.			trans	-125.5	62.4	-174.3	-63.1	0	0	0	0	109.6	Y308 A598 P599 Y600 N605 L606	Y308-C603 HydrophobicContact CE1-CB 4.23Å; Y308-C603 HydrophobicContact CE2-CB 3.96Å; Y308-C603 VanDerWaalsContact OH-CA 3.25Å; Y308-C603 WeakPolarHBondContact OH-CA 3.43Å; Y308-C603 WeakPolarHBondContact OH-CB 3.49Å; A598-C603 HydrophobicContact CB-CB 4.13Å; P599-C603 WeakPolarHBondContact O-CB 3.37Å; P599-C603 PolarHBondContact O-N 3.37Å; Y600-C603 CarbonylContact O-C 3.38Å; Y600-C603 PolarHBondContact O-N 3.33Å; C603-N605 VanDerWaalsContact C-N 3.25Å; C603-N605 PolarHBondContact O-N 2.7Å; C603-L606 HydrophobicContact CB-CD1 3.77Å; C603-L606 HydrophobicContact CB-CG 4.09Å; C603-L606 WeakPolarHBondContact O-CB 3.39Å; C603-L606 PolarHBondContact O-N 2.66Å
604	P	66.1	Low	62.8	Low	69 Å²	69	67.5 Å²	67.5	45%	0.448	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-67.9	-22.7	-166.3	26.8	-35.7	0	0	0	113.3	Y600 T602 L606 Q607	Y600-P604 WeakPolarHBondContact O-CA 3.25Å; Y600-P604 VanDerWaalsContact O-N 3.13Å; T602-P604 VanDerWaalsContact C-CD 3.43Å; T602-P604 WeakPolarHBondContact O-CD 3.33Å; P604-L606 PolarHBondContact O-N 2.64Å; P604-Q607 WeakPolarHBondContact O-CB 3.26Å; P604-Q607 WeakPolarHBondContact O-CG 3.41Å; P604-Q607 PolarHBondContact O-N 3.33Å
605	N	67.1	Low	59.7	Low	80 Å²	80	78.3 Å²	78.3	43%	0.428	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-73.6	-1.6	173	58.1	-82	0	0	0	113.8	Y308 S326 C603	Y308-N605 PolarHBondContact OH-ND2 2.96Å; Y308-N605 PolarHBondContact OH-OD1 3.05Å; S326-N605 PolarHBondContact OG-ND2 3.35Å; S326-N605 PolarHBondContact OG-OD1 3.42Å; C603-N605 VanDerWaalsContact C-N 3.25Å; C603-N605 PolarHBondContact O-N 2.7Å
606	L	66.6	Low	56.7	Low	34 Å²	34	85.2 Å²	85.2	18%	0.178	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-87.7	4.1	162.6	-56.8	-179.4	0	0	0	112	T289 Y308 N310 A598 C603 P604 T608	T289-L606 HydrophobicContact CG2-CD1 3.99Å; Y308-L606 HydrophobicContact CD2-CD1 4.42Å; Y308-L606 HydrophobicContact CE2-CD1 3.75Å; Y308-L606 HydrophobicContact CE2-CD2 3.99Å; Y308-L606 HydrophobicContact CE2-CG 3.8Å; N310-L606 HydrophobicContact CB-CD2 3.8Å; A598-L606 HydrophobicContact CB-CD1 3.42Å; A598-L606 VanDerWaalsContact CB-CD1 3.42Å; C603-L606 HydrophobicContact CB-CD1 3.77Å; C603-L606 HydrophobicContact CB-CG 4.09Å; C603-L606 WeakPolarHBondContact O-CB 3.39Å; C603-L606 PolarHBondContact O-N 2.66Å; P604-L606 PolarHBondContact O-N 2.64Å; L606-T608 PolarHBondContact O-N 3.41Å
607	Q	58.7	Low	53.6	Low	97 Å²	97	88.2 Å²	88.2	45%	0.453	46%	0.457	S	S	.	.	S	Bend	trans	-50.2	114.4	154.8	-81.4	176.1	10.6	0	0	107.8	Y600 P604 L609	Y600-Q607 HydrophobicContact CD2-CG 3.81Å; Y600-Q607 HydrophobicContact CE1-CG 3.79Å; Y600-Q607 HydrophobicContact CE2-CB 3.9Å; Y600-Q607 HydrophobicContact CE2-CG 2.97Å; Y600-Q607 VanDerWaalsContact CZ-CD 3.4Å; Y600-Q607 WeakPolarHBondContact OH-CG 3.37Å; Y600-Q607 PolarHBondContact OH-NE2 3.1Å; P604-Q607 WeakPolarHBondContact O-CB 3.26Å; P604-Q607 WeakPolarHBondContact O-CG 3.41Å; P604-Q607 PolarHBondContact O-N 3.33Å; Q607-L609 PolarHBondContact O-N 3.23Å
608	T	50.8	Low	50.7	Low	89 Å²	89	92.8 Å²	92.8	55%	0.546	50%	0.495	S	S	.	.			trans	-41.6	114.5	155.7	26.1	0	0	0	0	105.7	L606 Q610	L606-T608 PolarHBondContact O-N 3.41Å; T608-Q610 PolarHBondContact O-N 2.93Å
609	L	38.8	Very low	48.3	Very low	160 Å²	160	102.8 Å²	102.8	84%	0.838	56%	0.555	S	S	*	*			trans	-41.4	121.1	169.4	-82.2	151	0	0	0	105.6	Q607 V611	Q607-L609 PolarHBondContact O-N 3.23Å; L609-V611 PolarHBondContact O-N 3.1Å
610	Q	33.6	Very low	46.8	Very low	147 Å²	147	107.9 Å²	107.9	69%	0.687	58%	0.583	S	S	*	*			trans	-41.6	114.5	162.9	-75.9	179.3	-30.1	0	0	105.6	T608 P612	T608-Q610 PolarHBondContact O-N 2.93Å; Q610-P612 VanDerWaalsContact O-N 3.08Å
611	V	28.1	Very low	45.4	Very low	108 Å²	108	111.2 Å²	111.2	66%	0.655	60%	0.604	S	S	*	*			trans	-47.8	125.3	174	-179.5	0	0	0	0	104.8	L609 H613	L609-V611 PolarHBondContact O-N 3.1Å; V611-H613 PolarHBondContact O-N 2.49Å
612	P	28.4	Very low	44.1	Very low	103 Å²	103	111.8 Å²	111.8	67%	0.669	61%	0.613	S	S	*	*			trans	-51.8	122.6	-175.1	20.3	-31.4	0	0	0	106.6	Q610 H614	Q610-P612 VanDerWaalsContact O-N 3.08Å; P612-H614 VanDerWaalsContact C-N 3.32Å; P612-H614 PolarHBondContact O-N 2.89Å
613	H	29.4	Very low	42.6	Very low	165 Å²	165	117.4 Å²	117.4	76%	0.764	64%	0.643	S	S	*	*			trans	-37.2	99.1	178.9	-70.8	-69.7	0	0	0	109.3	V611 R615	V611-H613 PolarHBondContact O-N 2.49Å; H613-R615 VanDerWaalsContact C-N 3.33Å; H613-R615 PolarHBondContact O-N 3.24Å
614	H	29.7	Very low	40.6	Very low	161 Å²	161	124.7 Å²	124.7	75%	0.745	68%	0.683	S	S	*	*			trans	-62.5	112.5	162.3	-90.3	-62.4	0	0	0	102.8	P612 I616	P612-H614 VanDerWaalsContact C-N 3.32Å; P612-H614 PolarHBondContact O-N 2.89Å; H614-I616 PolarHBondContact O-N 2.65Å
615	R	30.8	Very low	38.9	Very low	239 Å²	239	128.4 Å²	128.4	90%	0.902	70%	0.699	S	S	*	*			trans	-35.9	113.2	177.2	-74.9	176.9	172.6	176.1	-2.9	108	H613 G617	H613-R615 VanDerWaalsContact C-N 3.33Å; H613-R615 PolarHBondContact O-N 3.24Å; R615-G617 PolarHBondContact O-N 2.83Å
616	I	32.5	Very low	36.9	Very low	167 Å²	167	131.9 Å²	131.9	86%	0.856	72%	0.719	S	S	*	*			trans	-58.4	99.5	162.7	-62.1	171.5	0	0	0	104.1	H614 A618	H614-I616 PolarHBondContact O-N 2.65Å; I616-A618 PolarHBondContact O-N 2.94Å; I616-A618 VanDerWaalsContact O-N 3.14Å
617	G	28.5	Very low	34.6	Very low	64 Å²	64	139.4 Å²	139.4	66%	0.66	76%	0.76	S	S	*	*			trans	-66.6	108.3	169	0	0	0	0	0	106.3	R615 V619	R615-G617 PolarHBondContact O-N 2.83Å; G617-V619 PolarHBondContact O-N 3.32Å
618	A	28.7	Very low	32.6	Very low	98 Å²	98	142.9 Å²	142.9	81%	0.81	79%	0.786	S	S	*	*			trans	-60.8	119.6	157.5	0	0	0	0	0	107.4	I616	I616-A618 PolarHBondContact O-N 2.94Å; I616-A618 VanDerWaalsContact O-N 3.14Å
619	V	32.3	Very low	31	Very low	214 Å²	214	147.8 Å²	147.8	100%	1.297	81%	0.807	S	S	*	*			trans	-128.1	0	150.2	-178.4	0	0	0	0	106.8	G617	G617-V619 PolarHBondContact O-N 3.32Å

Retrieved 619 of 619 residues in 195.6 ms (Link to these results)

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