A0A2K5MXK9_CERAT Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A2K5MXK9, Species CERAT (Cercocebus atys, Sooty mangabey), Gene GALNT3, Length 633 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	50.8	Low	50.4	Low	224 Å²	224	148.3 Å²	148.3	100%	1.103	73%	0.728	S	S	*	*				0	-7	0	-103.7	-177.3	-91.5	0	0	115.9
2	A	50.6	Low	50.7	Low	87 Å²	87	143.8 Å²	143.8	72%	0.719	71%	0.708	S	S	*	*			trans	-88.3	-22	179.8	0	0	0	0	0	115.1
3	H	46.8	Very low	50.5	Low	165 Å²	165	145.8 Å²	145.8	76%	0.764	71%	0.711	S	S	*	*	S	Bend	trans	-82.1	-23.6	-177.3	-108.6	-73.3	0	0	0	114.7
4	L	46.9	Very low	50.5	Low	139 Å²	139	149.4 Å²	149.4	73%	0.728	71%	0.713	S	S	*	*	H	α-helix	trans	-81.7	-27.3	-177.3	-146.5	73.4	0	0	0	113
5	K	47.4	Very low	50.5	Low	174 Å²	174	148 Å²	148	76%	0.757	71%	0.705	S	S	*	*	H	α-helix	trans	-75.6	-20.8	178.4	-76.9	-175.9	176.1	179.3	0	113.8
6	R	51.1	Low	50.4	Low	201 Å²	201	148.7 Å²	148.7	76%	0.758	70%	0.7	S	S	*	*	H	α-helix	trans	-83.4	-30.9	-178.9	-135.1	175.4	-173.9	-176.9	1.1	112.9
7	L	51.1	Low	50.6	Low	117 Å²	117	148.4 Å²	148.4	61%	0.613	70%	0.697	S	S	*	*	H	α-helix	trans	-74.5	-36.9	177.7	-92.5	148.6	0	0	0	113	L10 H11	L7-L10 PolarHBondContact O-N 3.45Å; L7-H11 PolarHBondContact O-N 3.23Å
8	V	55.5	Low	50.7	Low	85 Å²	85	148.5 Å²	148.5	52%	0.515	70%	0.695	S	S	.	*	H	α-helix	trans	-70.1	-36.6	178.9	178.9	0	0	0	0	111.9	L10 H11 I12	V8-L10 PolarHBondContact O-N 3.23Å; V8-H11 PolarHBondContact O-N 3.42Å; V8-I12 HydrophobicContact CG1-CD1 3.83Å; V8-I12 WeakPolarHBondContact O-CG1 3.47Å; V8-I12 PolarHBondContact O-N 3.36Å
9	K	51.1	Low	50.8	Low	175 Å²	175	148.7 Å²	148.7	76%	0.761	69%	0.693	S	S	*	*	H	α-helix	trans	-68.8	-30.2	177.2	-113.5	179.7	179.7	179.7	0	113.4
10	L	51.2	Low	51.1	Low	119 Å²	119	148.7 Å²	148.7	62%	0.623	69%	0.691	S	S	*	*	H	α-helix	trans	-78.2	-32.5	176.7	-108.1	125.1	0	0	0	112.7	L7 V8 R14	L7-L10 PolarHBondContact O-N 3.45Å; V8-L10 PolarHBondContact O-N 3.23Å; L10-R14 PolarHBondContact O-N 3.09Å
11	H	52	Low	51.4	Low	145 Å²	145	151.5 Å²	151.5	67%	0.671	70%	0.696	S	S	*	*	H	α-helix	trans	-73.2	-39.6	178.1	-120.2	68.9	0	0	0	112.7	L7 V8 R14 H15	L7-H11 PolarHBondContact O-N 3.23Å; V8-H11 PolarHBondContact O-N 3.42Å; H11-R14 PolarHBondContact O-N 3.44Å; H11-H15 WeakPolarHBondContact O-CB 3.4Å; H11-H15 PolarHBondContact O-N 3.46Å; H11-H15 VanDerWaalsContact O-N 3.09Å
12	I	53.2	Low	51.7	Low	95 Å²	95	148 Å²	148	49%	0.487	68%	0.675	S	S	.	*	H	α-helix	trans	-68.8	-39.3	179.6	-64.7	171.3	0	0	0	111.4	V8 R14 H15 Y16	V8-I12 HydrophobicContact CG1-CD1 3.83Å; V8-I12 WeakPolarHBondContact O-CG1 3.47Å; V8-I12 PolarHBondContact O-N 3.36Å; I12-R14 VanDerWaalsContact C-N 3.35Å; I12-R14 PolarHBondContact O-N 3.36Å; I12-H15 PolarHBondContact O-N 3.44Å; I12-Y16 HydrophobicContact CG2-CD2 4Å; I12-Y16 HydrophobicContact CG2-CE2 4.2Å; I12-Y16 PolarHBondContact O-N 3.45Å; I12-Y16 VanDerWaalsContact O-N 3.15Å
13	K	49.2	Very low	52.5	Low	170 Å²	170	149.2 Å²	149.2	74%	0.739	67%	0.668	S	S	*	*	H	α-helix	trans	-67.5	-33.4	178.2	-137.1	-179.9	-174.2	-173.8	0	112.6	H17	K13-H17 PolarHBondContact O-N 3.15Å
14	R	49.6	Very low	53.6	Low	196 Å²	196	143.4 Å²	143.4	74%	0.74	65%	0.653	S	S	*	*	H	α-helix	trans	-78.4	-26.7	178	-137.2	172.9	-176.6	178.1	0.2	112.7	L10 H11 I12	L10-R14 PolarHBondContact O-N 3.09Å; H11-R14 PolarHBondContact O-N 3.44Å; I12-R14 VanDerWaalsContact C-N 3.35Å; I12-R14 PolarHBondContact O-N 3.36Å
15	H	50.2	Low	54.9	Low	128 Å²	128	139.3 Å²	139.3	59%	0.593	64%	0.639	S	S	*	*	H	α-helix	trans	-81	-37.6	179	-150.2	15.3	0	0	0	113	H11 I12 K19	H11-H15 WeakPolarHBondContact O-CB 3.4Å; H11-H15 PolarHBondContact O-N 3.46Å; H11-H15 VanDerWaalsContact O-N 3.09Å; I12-H15 PolarHBondContact O-N 3.44Å; H15-K19 PolarHBondContact O-N 3.44Å
16	Y	50.3	Low	56.2	Low	159 Å²	159	135.5 Å²	135.5	62%	0.624	63%	0.63	S	S	*	*	H	α-helix	trans	-68.3	-36.8	174.6	-92.7	-92.6	0	0	0	113	I12 K18 K19 F20	I12-Y16 HydrophobicContact CG2-CD2 4Å; I12-Y16 HydrophobicContact CG2-CE2 4.2Å; I12-Y16 PolarHBondContact O-N 3.45Å; I12-Y16 VanDerWaalsContact O-N 3.15Å; Y16-K18 VanDerWaalsContact C-N 3.35Å; Y16-K18 PolarHBondContact O-N 3.36Å; Y16-K19 PolarHBondContact O-N 3.28Å; Y16-F20 PolarHBondContact O-N 3.18Å
17	H	52.6	Low	57.3	Low	143 Å²	143	129.8 Å²	129.8	66%	0.662	62%	0.617	S	S	*	*	H	α-helix	trans	-66.7	-34	178.1	-133	-54.4	0	0	0	113	K13 W21	K13-H17 PolarHBondContact O-N 3.15Å; H17-W21 PolarHBondContact O-N 3.31Å
18	K	53.2	Low	58.5	Low	151 Å²	151	130.8 Å²	130.8	66%	0.657	62%	0.617	S	S	*	*	H	α-helix	trans	-72.8	-29.5	175.7	-92.6	-175.2	173.6	-177.3	0	113.4	Y16 K22	Y16-K18 VanDerWaalsContact C-N 3.35Å; Y16-K18 PolarHBondContact O-N 3.36Å; K18-K22 WeakPolarHBondContact O-CG 3.36Å; K18-K22 PolarHBondContact O-N 3.36Å
19	K	52.4	Low	59.6	Low	152 Å²	152	133.6 Å²	133.6	66%	0.661	62%	0.622	S	S	*	*	H	α-helix	trans	-76.1	-40.5	176.5	-95.4	-171.7	174.3	-176.6	0	112.5	H15 Y16 K22 L23	H15-K19 PolarHBondContact O-N 3.44Å; Y16-K19 PolarHBondContact O-N 3.28Å; K19-K22 PolarHBondContact O-N 3.06Å; K19-L23 PolarHBondContact O-N 2.93Å
20	F	55.7	Low	60.7	Low	149 Å²	149	131.5 Å²	131.5	65%	0.654	61%	0.614	S	S	*	*	H	α-helix	trans	-67.1	-37.2	176.2	-97.2	-84.4	0	0	0	113	Y16 L23 G24	Y16-F20 PolarHBondContact O-N 3.18Å; F20-L23 PolarHBondContact O-N 3.44Å; F20-G24 PolarHBondContact O-N 2.93Å
21	W	58.7	Low	62	Low	208 Å²	208	130.3 Å²	130.3	79%	0.788	61%	0.607	S	S	*	*	H	α-helix	trans	-69.1	-36.1	177.4	-141.1	67.8	0	0	0	112.4	H17 A25	H17-W21 PolarHBondContact O-N 3.31Å; W21-A25 VanDerWaalsContact O-CB 3.28Å; W21-A25 WeakPolarHBondContact O-CB 3.3Å; W21-A25 PolarHBondContact O-N 3.39Å
22	K	57.7	Low	63.3	Low	151 Å²	151	126.6 Å²	126.6	66%	0.657	59%	0.591	S	S	*	*	H	α-helix	trans	-67.7	-39.1	173.4	-76.4	-175.1	176.4	-166	0	112.5	K18 K19 V26	K18-K22 WeakPolarHBondContact O-CG 3.36Å; K18-K22 PolarHBondContact O-N 3.36Å; K19-K22 PolarHBondContact O-N 3.06Å; K22-V26 VanDerWaalsContact O-CG2 3.26Å; K22-V26 WeakPolarHBondContact O-CG2 3.37Å; K22-V26 PolarHBondContact O-N 3.08Å; K22-V26 VanDerWaalsContact O-N 3.08Å
23	L	66.1	Low	64.5	Low	112 Å²	112	124.8 Å²	124.8	59%	0.586	58%	0.584	S	S	*	*	H	α-helix	trans	-69.3	-42.3	177	-165	70.6	0	0	0	111.6	K19 F20 A25 V26 V27	K19-L23 PolarHBondContact O-N 2.93Å; F20-L23 PolarHBondContact O-N 3.44Å; L23-A25 PolarHBondContact O-N 2.96Å; L23-V26 PolarHBondContact O-N 2.88Å; L23-V27 WeakPolarHBondContact O-CG2 3.28Å; L23-V27 PolarHBondContact O-N 3.48Å
24	G	71.4	Confident	65.5	Low	43 Å²	43	120.9 Å²	120.9	44%	0.443	57%	0.571	S	S	.	*	H	α-helix	trans	-62.2	-40.3	174.3	0	0	0	0	0	112.9	F20 V27 F28	F20-G24 PolarHBondContact O-N 2.93Å; G24-V27 PolarHBondContact O-N 2.93Å; G24-F28 VanDerWaalsContact O-CB 3.26Å; G24-F28 WeakPolarHBondContact O-CB 3.26Å; G24-F28 PolarHBondContact O-N 2.99Å
25	A	72.4	Confident	66.7	Low	52 Å²	52	115.5 Å²	115.5	43%	0.43	56%	0.56	S	S	.	*	H	α-helix	trans	-65.6	-38.4	175.6	0	0	0	0	0	112.6	W21 L23 F29	W21-A25 VanDerWaalsContact O-CB 3.28Å; W21-A25 WeakPolarHBondContact O-CB 3.3Å; W21-A25 PolarHBondContact O-N 3.39Å; L23-A25 PolarHBondContact O-N 2.96Å; A25-F29 VanDerWaalsContact O-CB 3.3Å; A25-F29 WeakPolarHBondContact O-CB 3.26Å; A25-F29 PolarHBondContact O-N 3.49Å
26	V	75.3	Confident	67.8	Low	95 Å²	95	113.9 Å²	113.9	58%	0.576	56%	0.555	S	S	*	*	H	α-helix	trans	-68.4	-43.4	176.8	170.9	0	0	0	0	111.4	K22 L23 F29 F30	K22-V26 VanDerWaalsContact O-CG2 3.26Å; K22-V26 WeakPolarHBondContact O-CG2 3.37Å; K22-V26 PolarHBondContact O-N 3.08Å; K22-V26 VanDerWaalsContact O-N 3.08Å; L23-V26 PolarHBondContact O-N 2.88Å; V26-F29 PolarHBondContact O-N 3.36Å; V26-F30 WeakPolarHBondContact O-CB 3.37Å; V26-F30 PolarHBondContact O-N 3.29Å
27	V	74.7	Confident	68.6	Low	80 Å²	80	111.2 Å²	111.2	49%	0.485	55%	0.55	S	S	.	.	H	α-helix	trans	-64.9	-42	176.8	173.6	0	0	0	0	111	L23 G24 F30 I31	L23-V27 WeakPolarHBondContact O-CG2 3.28Å; L23-V27 PolarHBondContact O-N 3.48Å; G24-V27 PolarHBondContact O-N 2.93Å; V27-F30 PolarHBondContact O-N 2.94Å; V27-I31 HydrophobicContact CG1-CD1 4.03Å; V27-I31 WeakPolarHBondContact O-CG1 3.46Å; V27-I31 PolarHBondContact O-N 3.26Å
28	F	75.8	Confident	69	Low	139 Å²	139	111.4 Å²	111.4	61%	0.61	55%	0.551	S	S	*	*	H	α-helix	trans	-63.5	-42	176.4	-173.3	-105.9	0	0	0	111.9	G24 F30 I31 I32	G24-F28 VanDerWaalsContact O-CB 3.26Å; G24-F28 WeakPolarHBondContact O-CB 3.26Å; G24-F28 PolarHBondContact O-N 2.99Å; F28-F30 VanDerWaalsContact C-N 3.35Å; F28-I31 PolarHBondContact O-N 2.9Å; F28-I32 HydrophobicContact CD1-CD1 3.68Å; F28-I32 HydrophobicContact CE1-CD1 3.3Å; F28-I32 HydrophobicContact CE1-CG1 4.38Å; F28-I32 HydrophobicContact CG-CD1 4.45Å; F28-I32 HydrophobicContact CZ-CD1 3.79Å; F28-I32 WeakPolarHBondContact O-CG1 3.36Å; F28-I32 PolarHBondContact O-N 3.32Å
29	F	78.6	Confident	69.5	Low	143 Å²	143	112.5 Å²	112.5	63%	0.627	55%	0.551	S	S	*	*	H	α-helix	trans	-64.8	-38.9	174.8	-161.3	-94.7	0	0	0	111.9	A25 V26 I32 V33	A25-F29 VanDerWaalsContact O-CB 3.3Å; A25-F29 WeakPolarHBondContact O-CB 3.26Å; A25-F29 PolarHBondContact O-N 3.49Å; V26-F29 PolarHBondContact O-N 3.36Å; F29-I32 PolarHBondContact O-N 3.01Å; F29-V33 HydrophobicContact CD1-CG2 4Å; F29-V33 HydrophobicContact CE1-CG2 3.87Å; F29-V33 VanDerWaalsContact O-CG2 3.32Å; F29-V33 WeakPolarHBondContact O-CG2 3.36Å; F29-V33 PolarHBondContact O-N 3.43Å
30	F	75.4	Confident	69.8	Low	132 Å²	132	111.4 Å²	111.4	58%	0.579	55%	0.548	S	S	*	.	H	α-helix	trans	-66.6	-39.7	177.7	-159.3	-96.6	0	0	0	112.5	V26 V27 F28 V33 L34	V26-F30 WeakPolarHBondContact O-CB 3.37Å; V26-F30 PolarHBondContact O-N 3.29Å; V27-F30 PolarHBondContact O-N 2.94Å; F28-F30 VanDerWaalsContact C-N 3.35Å; F30-V33 PolarHBondContact O-N 2.8Å; F30-L34 HydrophobicContact CD1-CD1 3.76Å; F30-L34 HydrophobicContact CD1-CG 4.27Å; F30-L34 HydrophobicContact CE1-CD1 3.75Å; F30-L34 HydrophobicContact CE1-CG 4.19Å; F30-L34 WeakPolarHBondContact O-CG 3.32Å; F30-L34 PolarHBondContact O-N 3.32Å
31	I	77.1	Confident	69.9	Low	93 Å²	93	108.7 Å²	108.7	48%	0.477	54%	0.543	S	S	.	.	H	α-helix	trans	-65.5	-41.5	173.8	-68.1	171.2	0	0	0	110.6	V27 F28 V33 L34 V35	V27-I31 HydrophobicContact CG1-CD1 4.03Å; V27-I31 WeakPolarHBondContact O-CG1 3.46Å; V27-I31 PolarHBondContact O-N 3.26Å; F28-I31 PolarHBondContact O-N 2.9Å; I31-V33 VanDerWaalsContact C-N 3.34Å; I31-V33 PolarHBondContact O-N 3.43Å; I31-L34 PolarHBondContact O-N 2.84Å; I31-V35 HydrophobicContact CG2-CG2 4.42Å; I31-V35 VanDerWaalsContact O-CG2 3.31Å; I31-V35 WeakPolarHBondContact O-CG2 3.36Å; I31-V35 PolarHBondContact O-N 3.33Å
32	I	79.7	Confident	69.7	Low	68 Å²	68	102.2 Å²	102.2	35%	0.349	53%	0.53	S	S	.	.	H	α-helix	trans	-61.2	-44.4	174.8	-73	172.3	0	0	0	110.7	F28 F29 L34 V35 L36	F28-I32 HydrophobicContact CD1-CD1 3.68Å; F28-I32 HydrophobicContact CE1-CD1 3.3Å; F28-I32 HydrophobicContact CE1-CG1 4.38Å; F28-I32 HydrophobicContact CG-CD1 4.45Å; F28-I32 HydrophobicContact CZ-CD1 3.79Å; F28-I32 WeakPolarHBondContact O-CG1 3.36Å; F28-I32 PolarHBondContact O-N 3.32Å; F29-I32 PolarHBondContact O-N 3.01Å; I32-L34 PolarHBondContact O-N 2.92Å; I32-V35 PolarHBondContact O-N 2.92Å; I32-L36 HydrophobicContact CG2-CD1 3.7Å; I32-L36 HydrophobicContact CG2-CG 4.22Å; I32-L36 WeakPolarHBondContact O-CB 3.22Å; I32-L36 WeakPolarHBondContact O-CG 3.36Å; I32-L36 PolarHBondContact O-N 3.3Å
33	V	77.9	Confident	69.7	Low	56 Å²	56	98.5 Å²	98.5	34%	0.339	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-41.7	176.9	171.1	0	0	0	0	111.4	F29 F30 I31 L36 M37	F29-V33 HydrophobicContact CD1-CG2 4Å; F29-V33 HydrophobicContact CE1-CG2 3.87Å; F29-V33 VanDerWaalsContact O-CG2 3.32Å; F29-V33 WeakPolarHBondContact O-CG2 3.36Å; F29-V33 PolarHBondContact O-N 3.43Å; F30-V33 PolarHBondContact O-N 2.8Å; I31-V33 VanDerWaalsContact C-N 3.34Å; I31-V33 PolarHBondContact O-N 3.43Å; V33-L36 PolarHBondContact O-N 3.5Å; V33-M37 HydrophobicContact CG1-CG 4.37Å; V33-M37 WeakPolarHBondContact O-CB 3.37Å; V33-M37 WeakPolarHBondContact O-CG 3.25Å; V33-M37 PolarHBondContact O-N 3.48Å
34	L	70.7	Confident	69.2	Low	89 Å²	89	99 Å²	99	47%	0.466	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-40.8	175.9	-78.5	170.6	0	0	0	112.7	F30 I31 I32 M37 Q38	F30-L34 HydrophobicContact CD1-CD1 3.76Å; F30-L34 HydrophobicContact CD1-CG 4.27Å; F30-L34 HydrophobicContact CE1-CD1 3.75Å; F30-L34 HydrophobicContact CE1-CG 4.19Å; F30-L34 WeakPolarHBondContact O-CG 3.32Å; F30-L34 PolarHBondContact O-N 3.32Å; I31-L34 PolarHBondContact O-N 2.84Å; I32-L34 PolarHBondContact O-N 2.92Å; L34-M37 PolarHBondContact O-N 3.35Å; L34-Q38 WeakPolarHBondContact O-CB 3.44Å; L34-Q38 PolarHBondContact O-N 3.32Å
35	V	75.6	Confident	68.1	Low	83 Å²	83	104.8 Å²	104.8	50%	0.503	53%	0.529	S	S	.	.	H	α-helix	trans	-67.7	-40	175.9	171.3	0	0	0	0	110.9	I31 I32 R39	I31-V35 HydrophobicContact CG2-CG2 4.42Å; I31-V35 VanDerWaalsContact O-CG2 3.31Å; I31-V35 WeakPolarHBondContact O-CG2 3.36Å; I31-V35 PolarHBondContact O-N 3.33Å; I32-V35 PolarHBondContact O-N 2.92Å; V35-R39 VanDerWaalsContact O-CB 3.25Å; V35-R39 WeakPolarHBondContact O-CB 3.25Å; V35-R39 PolarHBondContact O-N 2.86Å
36	L	73	Confident	67.2	Low	93 Å²	93	105.6 Å²	105.6	49%	0.487	53%	0.532	S	S	.	.	H	α-helix	trans	-66.7	-39.6	175.4	-71.6	173.3	0	0	0	111.6	I32 V33 R39 E40	I32-L36 HydrophobicContact CG2-CD1 3.7Å; I32-L36 HydrophobicContact CG2-CG 4.22Å; I32-L36 WeakPolarHBondContact O-CB 3.22Å; I32-L36 WeakPolarHBondContact O-CG 3.36Å; I32-L36 PolarHBondContact O-N 3.3Å; V33-L36 PolarHBondContact O-N 3.5Å; L36-R39 PolarHBondContact O-N 3.41Å; L36-E40 PolarHBondContact O-N 2.95Å
37	M	66.2	Low	66.2	Low	104 Å²	104	107.9 Å²	107.9	51%	0.512	53%	0.534	S	S	.	.	H	α-helix	trans	-67.6	-42.4	175	-78.4	-155.2	76.6	0	0	112.5	V33 L34 R39 E40 V41	V33-M37 HydrophobicContact CG1-CG 4.37Å; V33-M37 WeakPolarHBondContact O-CB 3.37Å; V33-M37 WeakPolarHBondContact O-CG 3.25Å; V33-M37 PolarHBondContact O-N 3.48Å; L34-M37 PolarHBondContact O-N 3.35Å; M37-R39 VanDerWaalsContact C-N 3.26Å; M37-R39 PolarHBondContact O-N 2.8Å; M37-E40 PolarHBondContact O-N 2.88Å; M37-V41 WeakPolarHBondContact O-CB 3.31Å; M37-V41 VanDerWaalsContact O-CG2 3.25Å; M37-V41 WeakPolarHBondContact O-CG2 3.16Å; M37-V41 PolarHBondContact O-N 3.46Å
38	Q	61.1	Low	65.2	Low	146 Å²	146	109.9 Å²	109.9	68%	0.682	54%	0.538	S	S	*	.	H	α-helix	trans	-62.9	-36	173	-86.2	-174	-31.7	0	0	111.7	L34 S42	L34-Q38 WeakPolarHBondContact O-CB 3.44Å; L34-Q38 PolarHBondContact O-N 3.32Å; Q38-S42 WeakPolarHBondContact O-CB 3.08Å; Q38-S42 PolarHBondContact O-N 3.3Å
39	R	64.5	Low	63.9	Low	175 Å²	175	108.6 Å²	108.6	66%	0.66	53%	0.533	S	S	*	.	H	α-helix	trans	-71.3	-37.8	176.3	-162.2	177	-175.4	-177.7	1.3	111.9	V35 L36 M37 S42 V43	V35-R39 VanDerWaalsContact O-CB 3.25Å; V35-R39 WeakPolarHBondContact O-CB 3.25Å; V35-R39 PolarHBondContact O-N 2.86Å; L36-R39 PolarHBondContact O-N 3.41Å; M37-R39 VanDerWaalsContact C-N 3.26Å; M37-R39 PolarHBondContact O-N 2.8Å; R39-S42 PolarHBondContact O-OG 3.3Å; R39-V43 VanDerWaalsContact O-CB 3.24Å; R39-V43 WeakPolarHBondContact O-CB 3.24Å; R39-V43 WeakPolarHBondContact O-CG2 3.35Å; R39-V43 PolarHBondContact O-N 2.92Å
40	E	59.2	Low	62.6	Low	128 Å²	128	103.6 Å²	103.6	60%	0.598	52%	0.516	S	S	*	.	H	α-helix	trans	-65.5	-44.9	172.2	-81.3	-175.4	161.2	0	0	111.2	L36 M37 S42 V43 Q44	L36-E40 PolarHBondContact O-N 2.95Å; M37-E40 PolarHBondContact O-N 2.88Å; E40-S42 PolarHBondContact O-N 2.81Å; E40-V43 PolarHBondContact O-N 3.37Å; E40-Q44 WeakPolarHBondContact O-CB 3.4Å; E40-Q44 PolarHBondContact O-N 3.45Å
41	V	57	Low	61.3	Low	92 Å²	92	105.3 Å²	105.3	56%	0.558	52%	0.519	S	S	*	.	H	α-helix	trans	-62.9	-41.5	176.2	173.4	0	0	0	0	111.3	M37 Q44 Y45	M37-V41 WeakPolarHBondContact O-CB 3.31Å; M37-V41 VanDerWaalsContact O-CG2 3.25Å; M37-V41 WeakPolarHBondContact O-CG2 3.16Å; M37-V41 PolarHBondContact O-N 3.46Å; V41-Q44 PolarHBondContact O-N 2.89Å; V41-Y45 WeakPolarHBondContact O-CB 3.49Å; V41-Y45 PolarHBondContact O-N 2.99Å
42	S	53.4	Low	59.8	Low	72 Å²	72	107.6 Å²	107.6	50%	0.503	53%	0.529	S	S	.	.	H	α-helix	trans	-69.9	-36.2	177.2	96.6	0	0	0	0	112.5	Q38 R39 E40 Q44 S46	Q38-S42 WeakPolarHBondContact O-CB 3.08Å; Q38-S42 PolarHBondContact O-N 3.3Å; R39-S42 PolarHBondContact O-OG 3.3Å; E40-S42 PolarHBondContact O-N 2.81Å; S42-Q44 VanDerWaalsContact C-N 3.33Å; S42-S46 VanDerWaalsContact O-CB 3.25Å; S42-S46 WeakPolarHBondContact O-CB 3.31Å; S42-S46 PolarHBondContact O-N 3.24Å
43	V	59.6	Low	58.4	Low	74 Å²	74	109.6 Å²	109.6	45%	0.448	54%	0.537	S	S	.	.	H	α-helix	trans	-69.6	-34.1	175.4	168.9	0	0	0	0	110.8	R39 E40 K47	R39-V43 VanDerWaalsContact O-CB 3.24Å; R39-V43 WeakPolarHBondContact O-CB 3.24Å; R39-V43 WeakPolarHBondContact O-CG2 3.35Å; R39-V43 PolarHBondContact O-N 2.92Å; E40-V43 PolarHBondContact O-N 3.37Å; V43-K47 VanDerWaalsContact O-CB 3.31Å; V43-K47 WeakPolarHBondContact O-CB 3.49Å; V43-K47 PolarHBondContact O-N 2.85Å
44	Q	54.4	Low	57.1	Low	122 Å²	122	114.1 Å²	114.1	57%	0.57	55%	0.548	S	S	*	.	H	α-helix	trans	-74.7	-40.5	177.9	-158.3	155.4	-15.2	0	0	111.3	E40 V41 S42 K47 E48	E40-Q44 WeakPolarHBondContact O-CB 3.4Å; E40-Q44 PolarHBondContact O-N 3.45Å; V41-Q44 PolarHBondContact O-N 2.89Å; S42-Q44 VanDerWaalsContact C-N 3.33Å; Q44-K47 PolarHBondContact O-N 3.46Å; Q44-E48 WeakPolarHBondContact O-CB 3.31Å; Q44-E48 WeakPolarHBondContact O-CG 3.25Å; Q44-E48 PolarHBondContact O-N 2.82Å
45	Y	48.1	Very low	56.2	Low	164 Å²	164	113.9 Å²	113.9	64%	0.643	55%	0.548	S	S	*	.	H	α-helix	trans	-63.5	-44	172	-155.8	-90.6	0	0	0	111.7	V41 K47 E48 E49	V41-Y45 WeakPolarHBondContact O-CB 3.49Å; V41-Y45 PolarHBondContact O-N 2.99Å; Y45-K47 PolarHBondContact O-N 3.27Å; Y45-E48 PolarHBondContact O-N 2.87Å; Y45-E49 VanDerWaalsContact O-CB 3.31Å; Y45-E49 WeakPolarHBondContact O-CB 3.12Å; Y45-E49 PolarHBondContact O-N 3.13Å
46	S	53.8	Low	54.8	Low	70 Å²	70	115.6 Å²	115.6	49%	0.49	55%	0.551	S	S	.	*	H	α-helix	trans	-65.1	-35.7	174.2	175.8	0	0	0	0	112.8	S42 S50	S42-S46 VanDerWaalsContact O-CB 3.25Å; S42-S46 WeakPolarHBondContact O-CB 3.31Å; S42-S46 PolarHBondContact O-N 3.24Å; S46-S50 VanDerWaalsContact O-CB 3.23Å; S46-S50 WeakPolarHBondContact O-CB 3.46Å; S46-S50 PolarHBondContact O-N 2.84Å; S46-S50 PolarHBondContact O-OG 3.16Å
47	K	54.3	Low	54	Low	143 Å²	143	118.3 Å²	118.3	62%	0.622	56%	0.559	S	S	*	*	H	α-helix	trans	-69	-36.8	172.8	-98.6	179.9	174.7	175.9	0	112.4	V43 Q44 Y45 S50 R51	V43-K47 VanDerWaalsContact O-CB 3.31Å; V43-K47 WeakPolarHBondContact O-CB 3.49Å; V43-K47 PolarHBondContact O-N 2.85Å; Q44-K47 PolarHBondContact O-N 3.46Å; Y45-K47 PolarHBondContact O-N 3.27Å; K47-S50 WeakPolarHBondContact CA-OG 3.23Å; K47-S50 PolarHBondContact O-OG 2.92Å; K47-S50 VanDerWaalsContact O-OG 3.13Å; K47-R51 WeakPolarHBondContact O-CB 3.48Å; K47-R51 PolarHBondContact O-N 2.95Å
48	E	53.3	Low	53.4	Low	121 Å²	121	118.1 Å²	118.1	57%	0.565	56%	0.561	S	S	*	*	H	α-helix	trans	-72.8	-42.9	176.7	-78.7	-173.7	160.7	0	0	112	Q44 Y45 R51 M52	Q44-E48 WeakPolarHBondContact O-CB 3.31Å; Q44-E48 WeakPolarHBondContact O-CG 3.25Å; Q44-E48 PolarHBondContact O-N 2.82Å; Y45-E48 PolarHBondContact O-N 2.87Å; E48-R51 CarbonylContact O-C 3.53Å; E48-R51 PolarHBondContact O-N 3.49Å; E48-R51 VanDerWaalsContact O-N 3.16Å; E48-M52 VanDerWaalsContact O-CB 3.3Å; E48-M52 WeakPolarHBondContact O-CB 3.45Å; E48-M52 PolarHBondContact O-N 3.21Å
49	E	49.5	Very low	53	Low	112 Å²	112	118.6 Å²	118.6	52%	0.523	56%	0.56	S	S	.	*	H	α-helix	trans	-62.9	-45.9	175	-167.8	170.7	-157	0	0	110.8	Y45 R51 M52 E53	Y45-E49 VanDerWaalsContact O-CB 3.31Å; Y45-E49 WeakPolarHBondContact O-CB 3.12Å; Y45-E49 PolarHBondContact O-N 3.13Å; E49-R51 VanDerWaalsContact C-N 3.29Å; E49-R51 PolarHBondContact O-N 2.92Å; E49-M52 PolarHBondContact O-N 3.22Å; E49-E53 WeakPolarHBondContact O-CB 3.26Å; E49-E53 PolarHBondContact O-N 3.38Å
50	S	50.6	Low	52.3	Low	38 Å²	38	114.5 Å²	114.5	27%	0.266	55%	0.551	S	S	.	*	H	α-helix	trans	-69.4	-22.4	174.7	66.8	0	0	0	0	113.9	S46 K47 R54	S46-S50 VanDerWaalsContact O-CB 3.23Å; S46-S50 WeakPolarHBondContact O-CB 3.46Å; S46-S50 PolarHBondContact O-N 2.84Å; S46-S50 PolarHBondContact O-OG 3.16Å; K47-S50 WeakPolarHBondContact CA-OG 3.23Å; K47-S50 PolarHBondContact O-OG 2.92Å; K47-S50 VanDerWaalsContact O-OG 3.13Å; S50-R54 VanDerWaalsContact O-CB 3.3Å; S50-R54 WeakPolarHBondContact O-CB 3.34Å; S50-R54 WeakPolarHBondContact O-CG 3.3Å; S50-R54 PolarHBondContact O-N 3.33Å; S50-R54 PolarHBondContact O-NE 3.23Å; S50-R54 PolarHBondContact OG-NH2 3.42Å
51	R	48.4	Very low	52.1	Low	168 Å²	168	115 Å²	115	63%	0.634	55%	0.552	S	S	*	*	H	α-helix	trans	-80.4	-36.5	172.2	-174	178.8	-176.8	-173.9	-0.1	110.8	K47 E48 E49 N55	K47-R51 WeakPolarHBondContact O-CB 3.48Å; K47-R51 PolarHBondContact O-N 2.95Å; E48-R51 CarbonylContact O-C 3.53Å; E48-R51 PolarHBondContact O-N 3.49Å; E48-R51 VanDerWaalsContact O-N 3.16Å; E49-R51 VanDerWaalsContact C-N 3.29Å; E49-R51 PolarHBondContact O-N 2.92Å; R51-N55 VanDerWaalsContact O-CB 3.26Å; R51-N55 WeakPolarHBondContact O-CB 3.3Å; R51-N55 PolarHBondContact O-N 2.83Å; R51-N55 PolarHBondContact O-ND2 2.83Å
52	M	44.9	Very low	51.6	Low	141 Å²	141	115.9 Å²	115.9	70%	0.695	55%	0.551	S	S	*	*	H	α-helix	trans	-69.4	-44.6	175.7	-161.6	174.5	-155.4	0	0	110.8	E48 E49 R54 N55 M56	E48-M52 VanDerWaalsContact O-CB 3.3Å; E48-M52 WeakPolarHBondContact O-CB 3.45Å; E48-M52 PolarHBondContact O-N 3.21Å; E49-M52 PolarHBondContact O-N 3.22Å; M52-R54 PolarHBondContact O-N 2.81Å; M52-N55 CarbonylContact O-C 3.57Å; M52-N55 PolarHBondContact O-N 2.78Å; M52-M56 VanDerWaalsContact O-CB 3.29Å; M52-M56 WeakPolarHBondContact O-CB 3.32Å; M52-M56 PolarHBondContact O-N 3.24Å
53	E	51.9	Low	51.3	Low	111 Å²	111	117.2 Å²	117.2	52%	0.519	55%	0.552	S	S	.	*	H	α-helix	trans	-62.7	-40.8	172.3	-79	-167.6	143.6	0	0	112.3	E49 M56 K57	E49-E53 WeakPolarHBondContact O-CB 3.26Å; E49-E53 PolarHBondContact O-N 3.38Å; E53-M56 PolarHBondContact O-N 2.83Å; E53-K57 WeakPolarHBondContact O-CB 3.26Å; E53-K57 PolarHBondContact O-N 2.75Å
54	R	50.3	Low	51	Low	150 Å²	150	118.5 Å²	118.5	57%	0.566	56%	0.556	S	S	*	*	H	α-helix	trans	-65.7	-40	173.5	-86.6	-179.1	-73.5	178.1	-5.8	112.1	S50 M52 M56 N58	S50-R54 VanDerWaalsContact O-CB 3.3Å; S50-R54 WeakPolarHBondContact O-CB 3.34Å; S50-R54 WeakPolarHBondContact O-CG 3.3Å; S50-R54 PolarHBondContact O-N 3.33Å; S50-R54 PolarHBondContact O-NE 3.23Å; S50-R54 PolarHBondContact OG-NH2 3.42Å; M52-R54 PolarHBondContact O-N 2.81Å; R54-M56 VanDerWaalsContact C-N 3.35Å; R54-N58 WeakPolarHBondContact O-CB 3.33Å; R54-N58 PolarHBondContact O-N 2.96Å; R54-N58 PolarHBondContact O-ND2 3.5Å
55	N	50.7	Low	51	Low	85 Å²	85	117.5 Å²	117.5	46%	0.455	55%	0.554	S	S	.	*	H	α-helix	trans	-67.9	-35.4	175.7	-75.1	-13.8	0	0	0	111.8	R51 M52 K59	R51-N55 VanDerWaalsContact O-CB 3.26Å; R51-N55 WeakPolarHBondContact O-CB 3.3Å; R51-N55 PolarHBondContact O-N 2.83Å; R51-N55 PolarHBondContact O-ND2 2.83Å; M52-N55 CarbonylContact O-C 3.57Å; M52-N55 PolarHBondContact O-N 2.78Å; N55-K59 VanDerWaalsContact O-CB 3.3Å; N55-K59 WeakPolarHBondContact O-CB 3.2Å; N55-K59 WeakPolarHBondContact O-CG 3.29Å; N55-K59 PolarHBondContact O-N 3.39Å
56	M	47.5	Very low	50.9	Low	118 Å²	118	114.6 Å²	114.6	58%	0.581	55%	0.548	S	S	*	.	H	α-helix	trans	-74.4	-40.4	177.7	-160.4	162.2	80.2	0	0	111.5	M52 E53 R54 K59 N60	M52-M56 VanDerWaalsContact O-CB 3.29Å; M52-M56 WeakPolarHBondContact O-CB 3.32Å; M52-M56 PolarHBondContact O-N 3.24Å; E53-M56 PolarHBondContact O-N 2.83Å; R54-M56 VanDerWaalsContact C-N 3.35Å; M56-K59 PolarHBondContact O-N 2.81Å; M56-N60 WeakPolarHBondContact O-CB 3.3Å; M56-N60 VanDerWaalsContact O-CG 3.24Å; M56-N60 PolarHBondContact O-N 2.64Å; M56-N60 PolarHBondContact O-OD1 3.43Å
57	K	55	Low	50.7	Low	150 Å²	150	115.4 Å²	115.4	65%	0.652	55%	0.546	S	S	*	.	H	α-helix	trans	-64.2	-39.9	169.6	-82.9	-179.1	175.7	171.3	0	112.2	E53 K61	E53-K57 WeakPolarHBondContact O-CB 3.26Å; E53-K57 PolarHBondContact O-N 2.75Å; K57-K61 WeakPolarHBondContact O-CB 3.48Å; K57-K61 PolarHBondContact O-N 2.95Å
58	N	54.5	Low	50.3	Low	101 Å²	101	114.2 Å²	114.2	54%	0.54	54%	0.543	S	S	.	.	H	α-helix	trans	-70.3	-35.9	176.2	-74.2	-11.5	0	0	0	112	R54 M62	R54-N58 WeakPolarHBondContact O-CB 3.33Å; R54-N58 PolarHBondContact O-N 2.96Å; R54-N58 PolarHBondContact O-ND2 3.5Å; N58-M62 WeakPolarHBondContact O-CB 3.37Å; N58-M62 PolarHBondContact O-N 2.91Å
59	K	51.3	Low	49.9	Very low	156 Å²	156	110.5 Å²	110.5	68%	0.678	53%	0.533	S	S	*	.	H	α-helix	trans	-67	-44	172	-83.1	-176.6	174.6	-174.6	0	112	N55 M56 M62 L63	N55-K59 VanDerWaalsContact O-CB 3.3Å; N55-K59 WeakPolarHBondContact O-CB 3.2Å; N55-K59 WeakPolarHBondContact O-CG 3.29Å; N55-K59 PolarHBondContact O-N 3.39Å; M56-K59 PolarHBondContact O-N 2.81Å; K59-M62 CarbonylContact O-C 3.52Å; K59-M62 PolarHBondContact O-N 3.34Å; K59-L63 VanDerWaalsContact O-CB 3.3Å; K59-L63 WeakPolarHBondContact O-CB 3.34Å; K59-L63 PolarHBondContact O-N 2.96Å
60	N	50.3	Low	49.9	Very low	88 Å²	88	109.4 Å²	109.4	47%	0.471	53%	0.534	S	S	.	.	H	α-helix	trans	-66.8	-38.8	176.2	-71.6	-1.9	0	0	0	111.2	M56 L63 D64	M56-N60 WeakPolarHBondContact O-CB 3.3Å; M56-N60 VanDerWaalsContact O-CG 3.24Å; M56-N60 PolarHBondContact O-N 2.64Å; M56-N60 PolarHBondContact O-OD1 3.43Å; N60-L63 CarbonylContact O-C 3.56Å; N60-L63 WeakPolarHBondContact O-CB 3.45Å; N60-L63 PolarHBondContact O-N 2.94Å; N60-D64 WeakPolarHBondContact O-CB 3.26Å; N60-D64 PolarHBondContact O-N 3.45Å
61	K	54.6	Low	49.8	Very low	139 Å²	139	111.9 Å²	111.9	60%	0.604	54%	0.544	S	S	*	.	H	α-helix	trans	-68.6	-34.2	174.2	-165	173.6	-175	179.1	0	112.2	K57 L65	K57-K61 WeakPolarHBondContact O-CB 3.48Å; K57-K61 PolarHBondContact O-N 2.95Å; K61-L65 HydrophobicContact CG-CD1 4.38Å; K61-L65 VanDerWaalsContact O-CB 3.24Å; K61-L65 WeakPolarHBondContact O-CB 3.49Å; K61-L65 WeakPolarHBondContact O-CD1 3.45Å; K61-L65 WeakPolarHBondContact O-CG 2.84Å; K61-L65 PolarHBondContact O-N 2.97Å
62	M	46.3	Very low	49.6	Very low	110 Å²	110	109 Å²	109	54%	0.542	54%	0.541	S	S	.	.	H	α-helix	trans	-70.1	-35.9	171.3	-177.5	178.2	169.4	0	0	111.5	N58 K59 M66	N58-M62 WeakPolarHBondContact O-CB 3.37Å; N58-M62 PolarHBondContact O-N 2.91Å; K59-M62 CarbonylContact O-C 3.52Å; K59-M62 PolarHBondContact O-N 3.34Å; M62-M66 HydrophobicContact CE-CE 3.59Å; M62-M66 HydrophobicContact CE-SD 4.14Å; M62-M66 HydrophobicContact CG-SD 4.36Å; M62-M66 VanDerWaalsContact O-CB 3.24Å; M62-M66 WeakPolarHBondContact O-CB 3.37Å; M62-M66 WeakPolarHBondContact O-CG 3.4Å; M62-M66 PolarHBondContact O-N 3.38Å
63	L	48.4	Very low	49.5	Very low	100 Å²	100	106.7 Å²	106.7	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-68.8	-42.4	175	-165.3	76.8	0	0	0	111.1	K59 N60 M66 L67	K59-L63 VanDerWaalsContact O-CB 3.3Å; K59-L63 WeakPolarHBondContact O-CB 3.34Å; K59-L63 PolarHBondContact O-N 2.96Å; N60-L63 CarbonylContact O-C 3.56Å; N60-L63 WeakPolarHBondContact O-CB 3.45Å; N60-L63 PolarHBondContact O-N 2.94Å; L63-M66 CarbonylContact O-C 3.54Å; L63-M66 PolarHBondContact O-N 3.38Å; L63-L67 HydrophobicContact CG-CD1 4.13Å; L63-L67 WeakPolarHBondContact O-CB 3.37Å; L63-L67 WeakPolarHBondContact O-CD1 3.43Å; L63-L67 WeakPolarHBondContact O-CG 3.45Å; L63-L67 PolarHBondContact O-N 3.24Å
64	D	52.8	Low	49.1	Very low	102 Å²	102	109 Å²	109	55%	0.545	54%	0.539	S	S	.	.	H	α-helix	trans	-64.9	-44.8	173.7	-75.3	-19.7	0	0	0	110.5	N60 M66 L67 E68	N60-D64 WeakPolarHBondContact O-CB 3.26Å; N60-D64 PolarHBondContact O-N 3.45Å; D64-M66 VanDerWaalsContact C-N 3.29Å; D64-M66 PolarHBondContact O-N 2.95Å; D64-L67 PolarHBondContact O-N 3.34Å; D64-E68 WeakPolarHBondContact O-CB 3.13Å; D64-E68 PolarHBondContact O-N 3.15Å
65	L	55.2	Low	48.7	Very low	100 Å²	100	109 Å²	109	52%	0.524	55%	0.55	S	S	.	.	H	α-helix	trans	-64	-32.8	173.3	-75.4	166.7	0	0	0	112.3	K61 A69	K61-L65 HydrophobicContact CG-CD1 4.38Å; K61-L65 VanDerWaalsContact O-CB 3.24Å; K61-L65 WeakPolarHBondContact O-CB 3.49Å; K61-L65 WeakPolarHBondContact O-CD1 3.45Å; K61-L65 WeakPolarHBondContact O-CG 2.84Å; K61-L65 PolarHBondContact O-N 2.97Å; L65-A69 WeakPolarHBondContact O-CB 3.3Å; L65-A69 PolarHBondContact O-N 3.01Å
66	M	45.6	Very low	48	Very low	103 Å²	103	108.5 Å²	108.5	51%	0.507	56%	0.558	S	S	.	*	H	α-helix	trans	-72.5	-39.4	173.4	-82	178.6	152.8	0	0	111.8	M62 L63 D64 A69 V70	M62-M66 HydrophobicContact CE-CE 3.59Å; M62-M66 HydrophobicContact CE-SD 4.14Å; M62-M66 HydrophobicContact CG-SD 4.36Å; M62-M66 VanDerWaalsContact O-CB 3.24Å; M62-M66 WeakPolarHBondContact O-CB 3.37Å; M62-M66 WeakPolarHBondContact O-CG 3.4Å; M62-M66 PolarHBondContact O-N 3.38Å; L63-M66 CarbonylContact O-C 3.54Å; L63-M66 PolarHBondContact O-N 3.38Å; D64-M66 VanDerWaalsContact C-N 3.29Å; D64-M66 PolarHBondContact O-N 2.95Å; M66-A69 PolarHBondContact O-N 3.46Å; M66-V70 VanDerWaalsContact O-CB 3.3Å; M66-V70 WeakPolarHBondContact O-CB 3.48Å; M66-V70 WeakPolarHBondContact O-CG2 3.48Å; M66-V70 PolarHBondContact O-N 3.42Å
67	L	48.8	Very low	47.3	Very low	88 Å²	88	108.3 Å²	108.3	46%	0.461	56%	0.557	S	S	.	*	H	α-helix	trans	-67	-40	174.6	-83.5	155.3	0	0	0	111.1	L63 D64 V70 N71	L63-L67 HydrophobicContact CG-CD1 4.13Å; L63-L67 WeakPolarHBondContact O-CB 3.37Å; L63-L67 WeakPolarHBondContact O-CD1 3.43Å; L63-L67 WeakPolarHBondContact O-CG 3.45Å; L63-L67 PolarHBondContact O-N 3.24Å; D64-L67 PolarHBondContact O-N 3.34Å; L67-V70 PolarHBondContact O-N 3.43Å; L67-N71 WeakPolarHBondContact O-CB 3.18Å; L67-N71 PolarHBondContact O-N 2.97Å; L67-N71 PolarHBondContact O-ND2 2.95Å
68	E	46.5	Very low	46.1	Very low	118 Å²	118	105.7 Å²	105.7	55%	0.551	56%	0.555	S	S	*	*	H	α-helix	trans	-70.6	-38	175.4	-152.6	173.4	-154.6	0	0	110.8	D64 N71 N72	D64-E68 WeakPolarHBondContact O-CB 3.13Å; D64-E68 PolarHBondContact O-N 3.15Å; E68-N71 PolarHBondContact O-N 3.32Å; E68-N72 VanDerWaalsContact O-CB 3.26Å; E68-N72 WeakPolarHBondContact O-CB 3.49Å; E68-N72 VanDerWaalsContact O-CG 3.23Å; E68-N72 PolarHBondContact O-N 2.94Å; E68-N72 PolarHBondContact O-ND2 3.34Å; E68-N72 VanDerWaalsContact O-ND2 3.1Å
69	A	45.2	Very low	45.2	Very low	43 Å²	43	109.4 Å²	109.4	36%	0.355	57%	0.567	S	S	.	*	H	α-helix	trans	-66	-40.1	170.1	0	0	0	0	0	112.2	L65 M66 N72 I73	L65-A69 WeakPolarHBondContact O-CB 3.3Å; L65-A69 PolarHBondContact O-N 3.01Å; M66-A69 PolarHBondContact O-N 3.46Å; A69-N72 PolarHBondContact O-N 2.85Å; A69-I73 VanDerWaalsContact O-CB 3.23Å; A69-I73 WeakPolarHBondContact O-CB 3.34Å; A69-I73 VanDerWaalsContact O-CD1 3.3Å; A69-I73 WeakPolarHBondContact O-CD1 3.44Å; A69-I73 WeakPolarHBondContact O-CG1 3.38Å; A69-I73 PolarHBondContact O-N 2.92Å
70	V	50.3	Low	44.4	Very low	89 Å²	89	109.3 Å²	109.3	54%	0.539	57%	0.57	S	S	.	*	H	α-helix	trans	-66.8	-38.9	176	166.3	0	0	0	0	111	M66 L67 I73 K74	M66-V70 VanDerWaalsContact O-CB 3.3Å; M66-V70 WeakPolarHBondContact O-CB 3.48Å; M66-V70 WeakPolarHBondContact O-CG2 3.48Å; M66-V70 PolarHBondContact O-N 3.42Å; L67-V70 PolarHBondContact O-N 3.43Å; V70-I73 PolarHBondContact O-N 3.29Å; V70-K74 WeakPolarHBondContact O-CB 3.4Å; V70-K74 PolarHBondContact O-N 3.34Å
71	N	47.3	Very low	43.7	Very low	90 Å²	90	112.3 Å²	112.3	48%	0.481	58%	0.582	S	S	.	*	H	α-helix	trans	-69.9	-39.3	175.1	-72.8	-28.2	0	0	0	111.9	L67 E68 K74	L67-N71 WeakPolarHBondContact O-CB 3.18Å; L67-N71 PolarHBondContact O-N 2.97Å; L67-N71 PolarHBondContact O-ND2 2.95Å; E68-N71 PolarHBondContact O-N 3.32Å; N71-K74 VanDerWaalsContact O-CB 3.3Å; N71-K74 WeakPolarHBondContact O-CB 3.43Å; N71-K74 PolarHBondContact O-N 3.34Å
72	N	43.6	Very low	43.2	Very low	106 Å²	106	109.6 Å²	109.6	57%	0.567	57%	0.573	S	S	*	*	H	α-helix	trans	-71.2	-29.4	173.8	-74.2	-33.6	0	0	0	112.9	E68 A69 A76	E68-N72 VanDerWaalsContact O-CB 3.26Å; E68-N72 WeakPolarHBondContact O-CB 3.49Å; E68-N72 VanDerWaalsContact O-CG 3.23Å; E68-N72 PolarHBondContact O-N 2.94Å; E68-N72 PolarHBondContact O-ND2 3.34Å; E68-N72 VanDerWaalsContact O-ND2 3.1Å; A69-N72 PolarHBondContact O-N 2.85Å; N72-A76 WeakPolarHBondContact O-CB 3.47Å; N72-A76 PolarHBondContact O-N 2.83Å
73	I	42.9	Very low	42.6	Very low	93 Å²	93	107 Å²	107	48%	0.477	57%	0.574	S	S	.	*	H	α-helix	trans	-72.4	-31.3	171.6	-72	163.3	0	0	0	110.5	A69 V70 D75 A76 M77	A69-I73 VanDerWaalsContact O-CB 3.23Å; A69-I73 WeakPolarHBondContact O-CB 3.34Å; A69-I73 VanDerWaalsContact O-CD1 3.3Å; A69-I73 WeakPolarHBondContact O-CD1 3.44Å; A69-I73 WeakPolarHBondContact O-CG1 3.38Å; A69-I73 PolarHBondContact O-N 2.92Å; V70-I73 PolarHBondContact O-N 3.29Å; I73-D75 PolarHBondContact O-N 2.91Å; I73-A76 CarbonylContact O-C 3.49Å; I73-A76 PolarHBondContact O-N 3.02Å; I73-A76 VanDerWaalsContact O-N 3.11Å; I73-M77 HydrophobicContact CG2-CG 3.75Å; I73-M77 HydrophobicContact CG2-SD 4.26Å; I73-M77 WeakPolarHBondContact O-CB 3.26Å; I73-M77 VanDerWaalsContact O-CG 3.27Å; I73-M77 WeakPolarHBondContact O-CG 3.44Å; I73-M77 PolarHBondContact O-N 3.46Å
74	K	43.3	Very low	42.4	Very low	159 Å²	159	105.3 Å²	105.3	69%	0.691	58%	0.575	S	S	*	*	H	α-helix	trans	-60.5	-33.3	176.3	-156.3	178.3	-176.8	-179.6	0	112.5	V70 N71	V70-K74 WeakPolarHBondContact O-CB 3.4Å; V70-K74 PolarHBondContact O-N 3.34Å; N71-K74 VanDerWaalsContact O-CB 3.3Å; N71-K74 WeakPolarHBondContact O-CB 3.43Å; N71-K74 PolarHBondContact O-N 3.34Å
75	D	41.8	Very low	42.2	Very low	150 Å²	150	102.1 Å²	102.1	80%	0.802	56%	0.56	S	S	*	*	H	α-helix	trans	-90.1	-12.7	176.8	-68.5	-25.8	0	0	0	113.6	I73	I73-D75 PolarHBondContact O-N 2.91Å
76	A	36.9	Very low	41.7	Very low	75 Å²	75	103.8 Å²	103.8	62%	0.62	57%	0.574	S	S	*	*	H	α-helix	trans	-114.8	3.6	-179.1	0	0	0	0	0	114.6	N72 I73 P78	N72-A76 WeakPolarHBondContact O-CB 3.47Å; N72-A76 PolarHBondContact O-N 2.83Å; I73-A76 CarbonylContact O-C 3.49Å; I73-A76 PolarHBondContact O-N 3.02Å; I73-A76 VanDerWaalsContact O-N 3.11Å; A76-P78 WeakPolarHBondContact O-CD 3.38Å
77	M	33	Very low	41.7	Very low	114 Å²	114	106.6 Å²	106.6	56%	0.562	58%	0.579	S	S	*	*			trans	-67.5	115.9	176.6	-94.9	176.3	60.7	0	0	109.7	I73 K79	I73-M77 HydrophobicContact CG2-CG 3.75Å; I73-M77 HydrophobicContact CG2-SD 4.26Å; I73-M77 WeakPolarHBondContact O-CB 3.26Å; I73-M77 VanDerWaalsContact O-CG 3.27Å; I73-M77 WeakPolarHBondContact O-CG 3.44Å; I73-M77 PolarHBondContact O-N 3.46Å; M77-K79 PolarHBondContact O-N 3.39Å
78	P	30.4	Very low	41.4	Very low	95 Å²	95	109.7 Å²	109.7	62%	0.617	59%	0.591	S	S	*	*			trans	-55.2	137.7	152.3	27	-31.4	0	0	0	105.6	A76 M80	A76-P78 WeakPolarHBondContact O-CD 3.38Å; P78-M80 PolarHBondContact O-N 2.82Å
79	K	35.3	Very low	41	Very low	180 Å²	180	111.1 Å²	111.1	78%	0.783	60%	0.602	S	S	*	*			trans	-51.5	90.5	172.5	-68.4	176.9	179.9	176.1	0	108	M77 Q81	M77-K79 PolarHBondContact O-N 3.39Å; K79-Q81 HydrophobicContact CB-CG 4.29Å; K79-Q81 PolarHBondContact O-N 3.25Å
80	M	34.7	Very low	40.7	Very low	153 Å²	153	114.8 Å²	114.8	75%	0.754	62%	0.615	S	S	*	*			trans	-73.7	67.6	162.9	-76.3	-168.4	-172.8	0	0	105.4	P78 I82	P78-M80 PolarHBondContact O-N 2.82Å; M80-I82 PolarHBondContact O-N 3Å; M80-I82 VanDerWaalsContact O-N 3.15Å
81	Q	34.7	Very low	40.2	Very low	151 Å²	151	117.8 Å²	117.8	71%	0.706	63%	0.628	S	S	*	*			trans	-54.6	115.6	155.1	-79	171.1	-30.3	0	0	104.1	K79 G83	K79-Q81 HydrophobicContact CB-CG 4.29Å; K79-Q81 PolarHBondContact O-N 3.25Å; Q81-G83 PolarHBondContact O-N 2.93Å
82	I	44.3	Very low	39.9	Very low	82 Å²	82	119.2 Å²	119.2	42%	0.421	64%	0.639	S	S	.	*			trans	-51.1	107.3	146.3	-64.6	166.4	0	0	0	102.3	M80 A84 K483	M80-I82 PolarHBondContact O-N 3Å; M80-I82 VanDerWaalsContact O-N 3.15Å; I82-A84 PolarHBondContact O-N 2.86Å; I82-K483 HydrophobicContact CD1-CD 4.44Å; I82-K483 HydrophobicContact CD1-CG 4.42Å
83	G	34.8	Very low	39.9	Very low	55 Å²	55	117 Å²	117	57%	0.567	64%	0.642	S	S	*	*			trans	-53.9	122.4	171.8	0	0	0	0	0	105	Q81	Q81-G83 PolarHBondContact O-N 2.93Å
84	A	43.3	Very low	40.3	Very low	66 Å²	66	121.4 Å²	121.4	55%	0.545	66%	0.661	S	S	.	*			trans	-44.3	132.5	165.2	0	0	0	0	0	106.1	I82 V86	I82-A84 PolarHBondContact O-N 2.86Å; A84-V86 PolarHBondContact O-N 2.81Å; A84-V86 VanDerWaalsContact O-N 3.12Å
85	P	47.8	Very low	41.1	Very low	34 Å²	34	119.7 Å²	119.7	22%	0.221	65%	0.65	C	S	.	*			trans	-50.9	131	-169.9	-8.7	11.3	0	0	0	108.5	R87 Y298 T299 Y376	P85-R87 PolarHBondContact O-N 2.7Å; P85-Y298 VanDerWaalsContact C-OH 3.24Å; P85-Y298 WeakPolarHBondContact CA-OH 3.32Å; P85-Y298 WeakPolarHBondContact CB-OH 3.34Å; P85-Y298 WeakPolarHBondContact CD-OH 3.27Å; P85-Y298 WeakPolarHBondContact CG-OH 3.42Å; P85-Y298 PolarHBondContact O-OH 3.03Å; P85-T299 HydrophobicContact CG-CG2 4.35Å; P85-Y376 HydrophobicContact CB-CE1 4.24Å; P85-Y376 HydrophobicContact CG-CD1 4.48Å; P85-Y376 HydrophobicContact CG-CE1 3.73Å
86	V	45.7	Very low	42.6	Very low	136 Å²	136	117.1 Å²	117.1	82%	0.824	64%	0.641	S	S	*	*			trans	-67.2	112.2	178.8	178.9	0	0	0	0	105.2	A84 Q88	A84-V86 PolarHBondContact O-N 2.81Å; A84-V86 VanDerWaalsContact O-N 3.12Å; V86-Q88 PolarHBondContact O-N 3.23Å
87	R	45.4	Very low	44.8	Very low	161 Å²	161	116.8 Å²	116.8	61%	0.608	63%	0.634	S	S	*	*			trans	-49.1	114.4	172.9	-170.3	178.1	-172.7	-175.2	0.3	106.7	P85 N89	P85-R87 PolarHBondContact O-N 2.7Å; R87-N89 PolarHBondContact O-N 2.58Å
88	Q	42.5	Very low	47.6	Very low	154 Å²	154	115.9 Å²	115.9	72%	0.72	63%	0.631	S	S	*	*			trans	-63.9	113.7	165	-74.8	-173.2	-11	0	0	104	V86 I90	V86-Q88 PolarHBondContact O-N 3.23Å; Q88-I90 PolarHBondContact O-N 3.27Å
89	N	37.8	Very low	50.6	Low	148 Å²	148	118.8 Å²	118.8	79%	0.791	64%	0.636	S	S	*	*			trans	-64.2	82.7	173.6	-79.4	-22	0	0	0	107.2	R87 D91	R87-N89 PolarHBondContact O-N 2.58Å; N89-D91 PolarHBondContact O-N 3.12Å
90	I	38.5	Very low	53.5	Low	119 Å²	119	112.1 Å²	112.1	61%	0.61	62%	0.618	S	S	*	*			trans	-70.9	115.6	161.5	-57.4	177.7	0	0	0	104	Q88 V92	Q88-I90 PolarHBondContact O-N 3.27Å; I90-V92 HydrophobicContact CB-CG2 4.34Å; I90-V92 HydrophobicContact CG2-CG2 3.78Å; I90-V92 PolarHBondContact O-N 3.36Å
91	D	39.1	Very low	56.5	Low	152 Å²	152	110.5 Å²	110.5	81%	0.813	61%	0.605	S	S	*	*			trans	-64.6	67.8	-180	-158.8	8.8	0	0	0	110.1	N89 G93	N89-D91 PolarHBondContact O-N 3.12Å; D91-G93 PolarHBondContact O-N 2.73Å
92	V	41	Very low	59.5	Low	120 Å²	120	104.9 Å²	104.9	73%	0.727	58%	0.577	S	S	*	*			trans	-91.5	84.6	171.8	-171.6	0	0	0	0	106	I90 E94	I90-V92 HydrophobicContact CB-CG2 4.34Å; I90-V92 HydrophobicContact CG2-CG2 3.78Å; I90-V92 PolarHBondContact O-N 3.36Å; V92-E94 PolarHBondContact O-N 3.02Å
93	G	44.5	Very low	62.1	Low	61 Å²	61	104.1 Å²	104.1	63%	0.629	58%	0.576	S	S	*	*			trans	15.4	98.5	173.9	0	0	0	0	0	115.1	D91 R95	D91-G93 PolarHBondContact O-N 2.73Å; G93-R95 PolarHBondContact O-N 2.66Å
94	E	50.7	Low	64.9	Low	185 Å²	185	105.9 Å²	105.9	86%	0.864	59%	0.586	S	S	*	*			trans	-36.8	100.7	-179.2	-69.1	-176.2	153.2	0	0	111.7	V92 P96	V92-E94 PolarHBondContact O-N 3.02Å; E94-P96 WeakPolarHBondContact O-CD 3.48Å; E94-P96 VanDerWaalsContact O-N 3.16Å
95	R	61.7	Low	67.5	Low	122 Å²	122	106.8 Å²	106.8	46%	0.46	59%	0.593	S	S	.	*			trans	-60.7	122.4	165.4	-78.4	-171.7	-176.3	156.4	10.7	105.9	G93 C97 E271	G93-R95 PolarHBondContact O-N 2.66Å; R95-C97 PolarHBondContact O-N 3.16Å; R95-C97 VanDerWaalsContact O-N 3.08Å; R95-E271 IonicContact CZ-OE1 3.24Å; R95-E271 IonicContact CZ-OE2 3.17Å; R95-E271 IonicContact NH1-OE1 3.83Å; R95-E271 PolarHBondContact NH1-OE1 2.9Å; R95-E271 IonicContact NH1-OE2 3.55Å; R95-E271 PolarHBondContact NH1-OE2 3.44Å; R95-E271 IonicContact NH2-OE1 3.78Å; R95-E271 PolarHBondContact NH2-OE1 3.3Å
96	P	72.2	Confident	69.8	Low	96 Å²	96	108 Å²	108	62%	0.623	60%	0.596	S	S	*	*			trans	-57.6	122.3	-177.3	19.9	-30	0	0	0	109.1	E94 L98	E94-P96 WeakPolarHBondContact O-CD 3.48Å; E94-P96 VanDerWaalsContact O-N 3.16Å; P96-L98 VanDerWaalsContact C-N 3.28Å; P96-L98 HydrophobicContact CB-CD2 4.29Å; P96-L98 PolarHBondContact O-N 3.04Å
97	C	84.4	Confident	72.3	Confident	69 Å²	69	102.9 Å²	102.9	47%	0.466	56%	0.563	S	S	.	*			trans	-66.9	88	174	163.1	0	0	0	0	108.3	R95 C181	R95-C97 PolarHBondContact O-N 3.16Å; R95-C97 VanDerWaalsContact O-N 3.08Å; C97-C181 HydrophobicContact CB-CB 4.04Å; C97-C181 WeakPolarHBondContact CB-SG 3.49Å; C97-C181 WeakPolarHBondContact SG-CB 3.13Å; C97-C181 CovalentContact SG-SG 2.02Å; C97-C181 PolarHBondContact SG-SG 2.96Å
98	L	91.3	Very high	74.8	Confident	95 Å²	95	100.3 Å²	100.3	50%	0.497	56%	0.556	S	S	.	*			trans	-73.1	143.2	179.9	-60.7	179	0	0	0	109.9	P96 R180	P96-L98 VanDerWaalsContact C-N 3.28Å; P96-L98 HydrophobicContact CB-CD2 4.29Å; P96-L98 PolarHBondContact O-N 3.04Å; L98-R180 HydrophobicContact CB-CB 3.92Å; L98-R180 CarbonylContact O-C 3.57Å; L98-R180 VanDerWaalsContact O-CB 3.29Å; L98-R180 WeakPolarHBondContact O-CB 3.25Å
99	Q	93.4	Very high	77.4	Confident	156 Å²	156	94.7 Å²	94.7	73%	0.729	53%	0.534	S	S	*	.			trans	-79.8	158.8	177.1	-64.3	-61.3	-36.2	0	0	111.8	R180	Q99-R180 PolarHBondContact O-NH1 3.39Å; Q99-R180 VanDerWaalsContact O-NH1 3.14Å
100	G	95.7	Very high	80.2	Confident	39 Å²	39	89.9 Å²	89.9	40%	0.402	51%	0.509	S	S	.	.	S	Bend	trans	80.4	-157.2	176.9	0	0	0	0	0	114.2	R180	G100-R180 PolarHBondContact O-N 3.14Å
101	Y	97.9	Very high	82.9	Confident	120 Å²	120	87 Å²	87	47%	0.471	50%	0.495	S	S	.	.	B	Isolated β-bridge	trans	-119.1	148.1	-172.7	-60.2	-90.9	0	0	0	111.4	K177 F178 K179 R180	Y101-K177 HydrophobicContact CD1-CB 3.41Å; Y101-K177 VanDerWaalsContact CD1-CB 3.41Å; Y101-K177 HydrophobicContact CE1-CB 3.97Å; Y101-K177 HydrophobicContact CG-CB 3.8Å; Y101-F178 CarbonylContact C-O 3.19Å; Y101-F178 WeakPolarHBondContact CA-O 3.38Å; Y101-F178 WeakPolarHBondContact CB-O 3.33Å; Y101-K179 HydrophobicContact CD1-CG 4.02Å; Y101-K179 HydrophobicContact CE1-CG 3.55Å; Y101-R180 PolarHBondContact O-NH1 2.92Å; Y101-R180 PolarHBondContact O-NH2 2.81Å
102	Y	97.8	Very high	85.7	Confident	33 Å²	33	84.6 Å²	84.6	13%	0.129	48%	0.482	C	S	.	.			trans	-57.7	138.1	171.1	-68.8	-86.6	0	0	0	110.7	E106 L107 F178 K179 R180 L184 I215	Y102-E106 HydrophobicContact CD1-CB 4.23Å; Y102-L107 HydrophobicContact CD1-CD2 4.47Å; Y102-L107 HydrophobicContact CG-CD2 4.29Å; Y102-F178 HydrophobicContact CD2-CB 4.19Å; Y102-F178 WeakPolarHBondContact CD2-O 3.5Å; Y102-F178 PolarHBondContact N-O 3.26Å; Y102-K179 WeakPolarHBondContact CE2-O 2.83Å; Y102-R180 HydrophobicContact CD1-CG 4.13Å; Y102-R180 HydrophobicContact CD2-CG 3.87Å; Y102-R180 HydrophobicContact CE1-CG 4.14Å; Y102-R180 HydrophobicContact CE2-CB 4.22Å; Y102-R180 HydrophobicContact CE2-CG 3.86Å; Y102-R180 HydrophobicContact CG-CG 4Å; Y102-L184 HydrophobicContact CD2-CD1 4Å; Y102-L184 HydrophobicContact CD2-CG 4.26Å; Y102-L184 HydrophobicContact CE2-CB 4.2Å; Y102-L184 HydrophobicContact CE2-CD1 3.87Å; Y102-L184 HydrophobicContact CE2-CG 3.69Å; Y102-L184 PolarHBondContact OH-N 3.48Å; Y102-I215 HydrophobicContact CD1-CD1 3.79Å; Y102-I215 HydrophobicContact CE1-CD1 3.63Å
103	T	97.7	Very high	88.4	Confident	66 Å²	66	81.6 Å²	81.6	41%	0.405	46%	0.458	S	S	.	.			trans	-83.8	160.5	173.7	63.4	0	0	0	0	110.7	A105 E106 L107	T103-A105 PolarHBondContact O-N 3.4Å; T103-E106 VanDerWaalsContact CB-OE2 3.31Å; T103-E106 WeakPolarHBondContact CB-OE2 3.48Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.34Å; T103-E106 PolarHBondContact N-OE2 3.4Å; T103-E106 PolarHBondContact O-N 3.19Å; T103-E106 VanDerWaalsContact O-N 3.15Å; T103-E106 WeakPolarHBondContact OG1-CG 3.27Å; T103-E106 PolarHBondContact OG1-N 2.96Å; T103-E106 PolarHBondContact OG1-OE2 2.94Å; T103-L107 PolarHBondContact O-N 3.19Å; T103-L107 VanDerWaalsContact O-N 3.1Å
104	A	94.9	Very high	90.9	Very high	92 Å²	92	81.1 Å²	81.1	76%	0.76	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.1	174.1	0	0	0	0	0	112.8	L107 K108	A104-L107 CarbonylContact O-C 3.52Å; A104-L107 PolarHBondContact O-N 3.38Å; A104-K108 PolarHBondContact O-N 3.11Å
105	A	96.5	Very high	93.1	Very high	84 Å²	84	78.6 Å²	78.6	69%	0.694	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-38.5	176.3	0	0	0	0	0	112.3	T103 L107 K108	T103-A105 PolarHBondContact O-N 3.4Å; A105-L107 VanDerWaalsContact C-N 3.3Å; A105-K108 WeakPolarHBondContact O-CB 3.47Å; A105-K108 PolarHBondContact O-N 3.19Å
106	E	97.2	Very high	94.8	Very high	61 Å²	61	75.3 Å²	75.3	29%	0.285	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-32.2	173.5	-74.5	161.3	110.1	0	0	112.1	Y102 T103 K108 R180 I215	Y102-E106 HydrophobicContact CD1-CB 4.23Å; T103-E106 VanDerWaalsContact CB-OE2 3.31Å; T103-E106 WeakPolarHBondContact CB-OE2 3.48Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.34Å; T103-E106 PolarHBondContact N-OE2 3.4Å; T103-E106 PolarHBondContact O-N 3.19Å; T103-E106 VanDerWaalsContact O-N 3.15Å; T103-E106 WeakPolarHBondContact OG1-CG 3.27Å; T103-E106 PolarHBondContact OG1-N 2.96Å; T103-E106 PolarHBondContact OG1-OE2 2.94Å; E106-K108 VanDerWaalsContact C-N 3.3Å; E106-K108 PolarHBondContact O-N 2.93Å; E106-R180 VanDerWaalsContact CD-NH2 3.31Å; E106-R180 IonicContact OE1-CZ 2.68Å; E106-R180 IonicContact OE1-NE 2.73Å; E106-R180 PolarHBondContact OE1-NE 2.99Å; E106-R180 IonicContact OE1-NH2 3.75Å; E106-R180 PolarHBondContact OE1-NH2 3.21Å; E106-R180 VanDerWaalsContact OE1-NH2 3.16Å; E106-R180 IonicContact OE2-CZ 3.47Å; E106-R180 IonicContact OE2-NE 3.69Å; E106-R180 IonicContact OE2-NH2 3.38Å; E106-R180 PolarHBondContact OE2-NH2 3.01Å; E106-I215 HydrophobicContact CB-CD1 4.41Å; E106-I215 WeakPolarHBondContact O-CD1 3.09Å
107	L	97.8	Very high	95.9	Very high	28 Å²	28	75.3 Å²	75.3	15%	0.147	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	18.8	179.4	-62.3	177.5	0	0	0	113.9	Y102 T103 A104 A105 F178 L184 P213 I215 L216 E288	Y102-L107 HydrophobicContact CD1-CD2 4.47Å; Y102-L107 HydrophobicContact CG-CD2 4.29Å; T103-L107 PolarHBondContact O-N 3.19Å; T103-L107 VanDerWaalsContact O-N 3.1Å; A104-L107 CarbonylContact O-C 3.52Å; A104-L107 PolarHBondContact O-N 3.38Å; A105-L107 VanDerWaalsContact C-N 3.3Å; L107-F178 HydrophobicContact CD1-CD2 4.18Å; L107-L184 HydrophobicContact CD2-CD1 4.45Å; L107-P213 HydrophobicContact CB-CB 4.38Å; L107-P213 HydrophobicContact CB-CG 4.2Å; L107-P213 HydrophobicContact CD2-CB 4.08Å; L107-P213 HydrophobicContact CD2-CG 4.08Å; L107-I215 HydrophobicContact CD2-CD1 4.21Å; L107-L216 HydrophobicContact CD2-CD1 4.42Å; L107-E288 HydrophobicContact CD1-CG 4.48Å; L107-E288 HydrophobicContact CD2-CG 4.42Å
108	K	97.5	Very high	96.4	Very high	106 Å²	106	75.7 Å²	75.7	46%	0.461	43%	0.431	S	S	.	.			trans	-61.8	138.4	175.7	-168.7	-178.4	177.7	-172.9	0	110.5	A104 A105 E106 D112 P213 A214	A104-K108 PolarHBondContact O-N 3.11Å; A105-K108 WeakPolarHBondContact O-CB 3.47Å; A105-K108 PolarHBondContact O-N 3.19Å; E106-K108 VanDerWaalsContact C-N 3.3Å; E106-K108 PolarHBondContact O-N 2.93Å; K108-D112 VanDerWaalsContact CE-CG 3.46Å; K108-D112 WeakPolarHBondContact CE-OD1 3.41Å; K108-D112 VanDerWaalsContact CE-OD2 3.28Å; K108-D112 WeakPolarHBondContact CE-OD2 3.48Å; K108-D112 IonicContact NZ-OD1 2.71Å; K108-D112 PolarHBondContact NZ-OD1 3.4Å; K108-D112 IonicContact NZ-OD2 3.35Å; K108-D112 PolarHBondContact NZ-OD2 3.43Å; K108-P213 WeakPolarHBondContact O-CA 3.33Å; K108-A214 PolarHBondContact O-N 2.77Å
109	P	97.7	Very high	96.7	Very high	37 Å²	37	77.9 Å²	77.9	24%	0.24	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-65.1	164.8	179.6	27.6	-37.2	0	0	0	113.3	L111 Y210 S212	P109-L111 VanDerWaalsContact C-N 3.3Å; P109-L111 WeakPolarHBondContact CG-O 3.27Å; P109-L111 PolarHBondContact O-N 2.81Å; P109-Y210 VanDerWaalsContact CB-O 3.3Å; P109-Y210 WeakPolarHBondContact CB-O 3.13Å; P109-S212 VanDerWaalsContact CA-O 3.26Å; P109-S212 WeakPolarHBondContact CA-O 3.3Å
110	V	95.8	Very high	96.9	Very high	47 Å²	47	72 Å²	72	29%	0.285	42%	0.422	S	S	.	.	S	Bend	trans	-59.1	-42.6	175.7	177.2	0	0	0	0	111.6	L209 S212 A214 L217 I245	V110-L209 HydrophobicContact CB-CD2 4.25Å; V110-L209 HydrophobicContact CG1-CD2 3.93Å; V110-L209 PolarHBondContact N-O 2.86Å; V110-S212 PolarHBondContact N-O 3.12Å; V110-A214 HydrophobicContact CG2-CB 4.02Å; V110-L217 HydrophobicContact CG2-CB 4.09Å; V110-L217 HydrophobicContact CG2-CD2 3.94Å; V110-L217 HydrophobicContact CG2-CG 4.45Å; V110-I245 HydrophobicContact CG1-CD1 3.98Å; V110-I245 HydrophobicContact CG2-CD1 4.08Å
111	L	97.1	Very high	97	Very high	59 Å²	59	72.6 Å²	72.6	31%	0.309	42%	0.418	S	S	.	.	S	Bend	trans	-124.9	142.5	175.9	-63.9	179.8	0	0	0	110.4	P109 L209 Y210 F243	P109-L111 VanDerWaalsContact C-N 3.3Å; P109-L111 WeakPolarHBondContact CG-O 3.27Å; P109-L111 PolarHBondContact O-N 2.81Å; L111-L209 HydrophobicContact CB-CB 4.49Å; L111-L209 HydrophobicContact CD1-CB 3.99Å; L111-L209 HydrophobicContact CD1-CD1 3.93Å; L111-L209 HydrophobicContact CD1-CG 4.45Å; L111-L209 HydrophobicContact CG-CB 4.28Å; L111-L209 PolarHBondContact N-O 2.87Å; L111-L209 VanDerWaalsContact N-O 3.14Å; L111-Y210 HydrophobicContact CB-CD1 3.77Å; L111-Y210 HydrophobicContact CB-CE1 3.7Å; L111-Y210 HydrophobicContact CD1-CE1 4.38Å; L111-Y210 WeakPolarHBondContact O-CD1 3.35Å; L111-F243 HydrophobicContact CD1-CD1 4.06Å; L111-F243 HydrophobicContact CD1-CE1 3.9Å
112	D	97.3	Very high	97	Very high	100 Å²	100	67.1 Å²	67.1	54%	0.535	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-77.2	130.4	167.6	-69.2	-42.3	0	0	0	109.2	K108 Y210	K108-D112 VanDerWaalsContact CE-CG 3.46Å; K108-D112 WeakPolarHBondContact CE-OD1 3.41Å; K108-D112 VanDerWaalsContact CE-OD2 3.28Å; K108-D112 WeakPolarHBondContact CE-OD2 3.48Å; K108-D112 IonicContact NZ-OD1 2.71Å; K108-D112 PolarHBondContact NZ-OD1 3.4Å; K108-D112 IonicContact NZ-OD2 3.35Å; K108-D112 PolarHBondContact NZ-OD2 3.43Å; D112-Y210 WeakPolarHBondContact O-CE1 3.2Å
113	R	97.8	Very high	97	Very high	58 Å²	58	65.9 Å²	65.9	22%	0.219	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-67.6	129.1	175.8	-176.1	178.4	-74.6	151.1	-2.4	109.1	H161 Y210 Y284	R113-H161 VanDerWaalsContact CD-O 3.24Å; R113-H161 WeakPolarHBondContact CD-O 3.38Å; R113-H161 WeakPolarHBondContact CG-O 3.41Å; R113-H161 PolarHBondContact NE-O 3.5Å; R113-Y210 HydrophobicContact CB-CD1 3.98Å; R113-Y210 HydrophobicContact CB-CD2 4.48Å; R113-Y210 HydrophobicContact CB-CE1 4.45Å; R113-Y210 HydrophobicContact CB-CG 4.03Å; R113-Y210 HydrophobicContact CG-CD2 4.37Å; R113-Y210 HydrophobicContact CG-CG 4.41Å; R113-Y284 PolarHBondContact NH1-OH 3.12Å
114	P	97.6	Very high	97	Very high	50 Å²	50	63.9 Å²	63.9	33%	0.325	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-64.4	155	176.5	24.7	-31.6	0	0	0	111.1	Q116 H161	P114-Q116 PolarHBondContact O-N 3.1Å; P114-Q116 PolarHBondContact O-NE2 2.04Å; P114-H161 HydrophobicContact CG-CB 3.89Å
115	P	96.3	Very high	97.2	Very high	133 Å²	133	59.6 Å²	59.6	86%	0.864	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-53.6	135.3	171.9	-24.5	34.3	0	0	0	111.3
116	Q	96	Very high	97.3	Very high	53 Å²	53	61.7 Å²	61.7	25%	0.248	34%	0.342	C	S	.	.			trans	-104.7	145.6	-179.9	-59.9	-57.5	-68.8	0	0	110.7	P114 S159 H161 D163	P114-Q116 PolarHBondContact O-N 3.1Å; P114-Q116 PolarHBondContact O-NE2 2.04Å; Q116-S159 PolarHBondContact OE1-OG 3.03Å; Q116-S159 VanDerWaalsContact OE1-OG 3.08Å; Q116-H161 VanDerWaalsContact CD-O 3.24Å; Q116-H161 PolarHBondContact NE2-O 3.21Å; Q116-H161 PolarHBondContact OE1-O 2.88Å; Q116-D163 VanDerWaalsContact CB-OD2 3.3Å; Q116-D163 WeakPolarHBondContact CB-OD2 3.43Å; Q116-D163 HydrophobicContact CG-CB 4.38Å; Q116-D163 WeakPolarHBondContact CG-OD2 3.43Å
117	D	96.3	Very high	97.3	Very high	95 Å²	95	60.4 Å²	60.4	51%	0.508	34%	0.341	S	S	.	.			trans	-78.3	118.4	169.6	174.9	9.2	0	0	0	109.5	N119 A120 A123	D117-N119 PolarHBondContact O-N 3.25Å; D117-N119 VanDerWaalsContact O-N 3.16Å; D117-N119 WeakPolarHBondContact OD1-CB 3.48Å; D117-N119 PolarHBondContact OD1-N 2.96Å; D117-A120 HydrophobicContact CB-CB 4.04Å; D117-A120 WeakPolarHBondContact O-CB 3.1Å; D117-A120 PolarHBondContact O-N 2.84Å; D117-A120 VanDerWaalsContact O-N 3.09Å; D117-A123 VanDerWaalsContact O-CB 3.3Å; D117-A123 WeakPolarHBondContact O-CB 3.21Å
118	S	95.3	Very high	97.3	Very high	78 Å²	78	61.1 Å²	61.1	55%	0.545	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.6	-179.5	58.6	0	0	0	0	114
119	N	96.3	Very high	97.2	Very high	141 Å²	141	63.5 Å²	63.5	75%	0.754	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-5.6	178.6	-59.2	-37.9	0	0	0	112.9	D117	D117-N119 PolarHBondContact O-N 3.25Å; D117-N119 VanDerWaalsContact O-N 3.16Å; D117-N119 WeakPolarHBondContact OD1-CB 3.48Å; D117-N119 PolarHBondContact OD1-N 2.96Å
120	A	97.9	Very high	97	Very high	33 Å²	33	62.7 Å²	62.7	27%	0.273	35%	0.348	S	S	.	.	S	Bend	trans	-65.6	153.4	179.1	0	0	0	0	0	111.7	D117 G122 A123	D117-A120 HydrophobicContact CB-CB 4.04Å; D117-A120 WeakPolarHBondContact O-CB 3.1Å; D117-A120 PolarHBondContact O-N 2.84Å; D117-A120 VanDerWaalsContact O-N 3.09Å; A120-G122 PolarHBondContact O-N 2.9Å; A120-A123 HydrophobicContact CB-CB 4.44Å; A120-A123 VanDerWaalsContact O-CB 3.24Å; A120-A123 WeakPolarHBondContact O-CB 3.32Å; A120-A123 PolarHBondContact O-N 3.27Å
121	P	98.1	Very high	96.8	Very high	51 Å²	51	65 Å²	65	33%	0.331	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	126.9	175.5	-26.7	35.2	0	0	0	112.1	A123 F128 I158	P121-A123 PolarHBondContact O-N 3.43Å; P121-F128 HydrophobicContact CB-CD1 4.09Å; P121-F128 HydrophobicContact CB-CD2 3.83Å; P121-F128 HydrophobicContact CB-CE1 4.15Å; P121-F128 HydrophobicContact CB-CE2 3.9Å; P121-F128 HydrophobicContact CB-CG 3.95Å; P121-F128 HydrophobicContact CB-CZ 4.06Å; P121-F128 HydrophobicContact CG-CE2 4.29Å; P121-F128 HydrophobicContact CG-CZ 4.39Å; P121-I158 HydrophobicContact CB-CG1 4.37Å
122	G	98.1	Very high	96.6	Very high	4 Å²	4	70 Å²	70	4%	0.041	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	13	178.8	0	0	0	0	0	115.3	A120 G125 K126 R162	A120-G122 PolarHBondContact O-N 2.9Å; G122-G125 PolarHBondContact O-N 3Å; G122-K126 WeakPolarHBondContact CA-O 3.03Å; G122-R162 WeakPolarHBondContact O-CD 3.43Å; G122-R162 PolarHBondContact O-NH1 3.5Å
123	A	98.3	Very high	96.5	Very high	8 Å²	8	67.1 Å²	67.1	7%	0.066	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-54.7	141.8	178.3	0	0	0	0	0	112	D117 A120 P121 G125 K126	D117-A123 VanDerWaalsContact O-CB 3.3Å; D117-A123 WeakPolarHBondContact O-CB 3.21Å; A120-A123 HydrophobicContact CB-CB 4.44Å; A120-A123 VanDerWaalsContact O-CB 3.24Å; A120-A123 WeakPolarHBondContact O-CB 3.32Å; A120-A123 PolarHBondContact O-N 3.27Å; P121-A123 PolarHBondContact O-N 3.43Å; A123-G125 PolarHBondContact O-N 3.25Å; A123-G125 VanDerWaalsContact O-N 3.16Å; A123-K126 WeakPolarHBondContact O-CB 3.34Å; A123-K126 WeakPolarHBondContact O-CG 3.44Å; A123-K126 PolarHBondContact O-N 2.78Å
124	S	98	Very high	96.5	Very high	24 Å²	24	66.7 Å²	66.7	17%	0.168	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	54.7	28.7	-178.4	-56.5	0	0	0	0	115	K126 D163 L164 K318	S124-K126 VanDerWaalsContact C-N 3.33Å; S124-K126 PolarHBondContact O-N 2.98Å; S124-D163 CarbonylContact C-O 3.48Å; S124-D163 WeakPolarHBondContact CA-O 3.41Å; S124-D163 VanDerWaalsContact CA-OD1 3.27Å; S124-D163 WeakPolarHBondContact CA-OD1 3.37Å; S124-D163 WeakPolarHBondContact CB-OD1 3.31Å; S124-D163 PolarHBondContact N-O 3.31Å; S124-D163 PolarHBondContact OG-OD1 3.05Å; S124-L164 CarbonylContact O-C 3.56Å; S124-K318 VanDerWaalsContact O-CE 3.22Å; S124-K318 WeakPolarHBondContact O-CE 3.33Å; S124-K318 PolarHBondContact O-NZ 3.37Å
125	G	98.1	Very high	96.4	Very high	2 Å²	2	68.8 Å²	68.8	2%	0.021	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	78.5	8.9	178.8	0	0	0	0	0	115.4	G122 A123 D163 E315 F316	G122-G125 PolarHBondContact O-N 3Å; A123-G125 PolarHBondContact O-N 3.25Å; A123-G125 VanDerWaalsContact O-N 3.16Å; G125-D163 PolarHBondContact N-O 3.09Å; G125-E315 WeakPolarHBondContact O-CA 3.47Å; G125-F316 PolarHBondContact O-N 2.95Å
126	K	98.3	Very high	96.5	Very high	127 Å²	127	68.8 Å²	68.8	55%	0.552	38%	0.38	S	S	*	.			trans	-73.3	156.8	-178	-63.6	173.1	-174	170.7	0	111.8	G122 A123 S124 F128	G122-K126 WeakPolarHBondContact CA-O 3.03Å; A123-K126 WeakPolarHBondContact O-CB 3.34Å; A123-K126 WeakPolarHBondContact O-CG 3.44Å; A123-K126 PolarHBondContact O-N 2.78Å; S124-K126 VanDerWaalsContact C-N 3.33Å; S124-K126 PolarHBondContact O-N 2.98Å; K126-F128 PolarHBondContact O-N 2.81Å
127	A	98.3	Very high	96.5	Very high	34 Å²	34	69.3 Å²	69.3	28%	0.281	38%	0.383	S	S	.	.			trans	-59.1	128.9	173.3	0	0	0	0	0	112.4	E315	A127-E315 HydrophobicContact CB-CB 3.91Å; A127-E315 HydrophobicContact CB-CG 4.27Å
128	F	97.9	Very high	96.6	Very high	44 Å²	44	68.1 Å²	68.1	19%	0.193	37%	0.374	C	S	.	.			trans	-98.5	106.4	166	179.7	-140.5	0	0	0	110.3	P121 K126 T130 A154 R157 I158 T313	P121-F128 HydrophobicContact CB-CD1 4.09Å; P121-F128 HydrophobicContact CB-CD2 3.83Å; P121-F128 HydrophobicContact CB-CE1 4.15Å; P121-F128 HydrophobicContact CB-CE2 3.9Å; P121-F128 HydrophobicContact CB-CG 3.95Å; P121-F128 HydrophobicContact CB-CZ 4.06Å; P121-F128 HydrophobicContact CG-CE2 4.29Å; P121-F128 HydrophobicContact CG-CZ 4.39Å; K126-F128 PolarHBondContact O-N 2.81Å; F128-T130 HydrophobicContact CD1-CG2 3.99Å; F128-T130 HydrophobicContact CE1-CG2 3.73Å; F128-T130 HydrophobicContact CZ-CG2 4.17Å; F128-T130 PolarHBondContact O-N 2.93Å; F128-A154 HydrophobicContact CD1-CB 3.83Å; F128-A154 HydrophobicContact CE1-CB 4.36Å; F128-R157 HydrophobicContact CE1-CB 3.96Å; F128-I158 HydrophobicContact CB-CD1 4.05Å; F128-I158 HydrophobicContact CB-CG1 4.39Å; F128-I158 HydrophobicContact CD1-CD1 4.3Å; F128-I158 HydrophobicContact CD1-CG1 4.18Å; F128-T313 PolarHBondContact N-O 2.89Å
129	K	95.6	Very high	96.7	Very high	156 Å²	156	70.1 Å²	70.1	68%	0.678	37%	0.373	S	S	*	.			trans	-86.9	110.2	177.5	-63.9	-176.6	-178.8	-179.7	0	110.1	T131	K129-T131 VanDerWaalsContact C-N 3.33Å; K129-T131 HydrophobicContact CB-CG2 4.43Å; K129-T131 PolarHBondContact O-N 3.29Å
130	T	92.9	Very high	96.8	Very high	20 Å²	20	66.3 Å²	66.3	12%	0.123	35%	0.35	C	S	.	.			trans	-82.5	74.7	177.1	63.9	0	0	0	0	110.3	F128 K141 N151 F153 A154	F128-T130 HydrophobicContact CD1-CG2 3.99Å; F128-T130 HydrophobicContact CE1-CG2 3.73Å; F128-T130 HydrophobicContact CZ-CG2 4.17Å; F128-T130 PolarHBondContact O-N 2.93Å; T130-K141 PolarHBondContact OG1-NZ 3.17Å; T130-N151 PolarHBondContact OG1-ND2 3.37Å; T130-F153 HydrophobicContact CG2-CD1 3.8Å; T130-F153 HydrophobicContact CG2-CE1 4.03Å; T130-A154 HydrophobicContact CG2-CB 3.87Å
131	T	91.9	Very high	96.7	Very high	96 Å²	96	66.4 Å²	66.4	59%	0.589	35%	0.345	S	S	*	.			trans	-103.9	158.4	177.7	53.8	0	0	0	0	111.8	K129 L133	K129-T131 VanDerWaalsContact C-N 3.33Å; K129-T131 HydrophobicContact CB-CG2 4.43Å; K129-T131 PolarHBondContact O-N 3.29Å; T131-L133 PolarHBondContact O-N 3.4Å
132	N	92.4	Very high	96.6	Very high	163 Å²	163	68.6 Å²	68.6	87%	0.872	35%	0.351	S	S	*	.	S	Bend	trans	59.6	41	178	-53.8	-28.8	0	0	0	113.7
133	L	95.8	Very high	96.6	Very high	39 Å²	39	76.7 Å²	76.7	20%	0.204	38%	0.38	C	S	.	.			trans	-72.8	141.8	176.8	-58	-175.5	0	0	0	110.7	T131 E137 Q138 K141 F153	T131-L133 PolarHBondContact O-N 3.4Å; L133-E137 HydrophobicContact CB-CB 3.9Å; L133-E137 HydrophobicContact CD2-CB 4.32Å; L133-E137 HydrophobicContact CG-CB 4.49Å; L133-Q138 HydrophobicContact CB-CB 4.45Å; L133-K141 HydrophobicContact CD1-CB 4.32Å; L133-K141 HydrophobicContact CD1-CD 3.85Å; L133-F153 HydrophobicContact CD1-CE1 4.22Å; L133-F153 HydrophobicContact CD1-CZ 4.35Å; L133-F153 HydrophobicContact CD2-CE1 3.7Å; L133-F153 HydrophobicContact CD2-CZ 3.69Å
134	S	96.9	Very high	96.5	Very high	49 Å²	49	76.8 Å²	76.8	34%	0.343	38%	0.382	S	S	.	.			trans	-61.2	165.9	164.3	60.7	0	0	0	0	111.1	E136 E137 Q138	S134-E136 PolarHBondContact O-N 3.19Å; S134-E137 WeakPolarHBondContact CB-OE2 3.3Å; S134-E137 PolarHBondContact N-OE2 2.81Å; S134-E137 PolarHBondContact O-N 3.06Å; S134-E137 WeakPolarHBondContact OG-CB 3.47Å; S134-E137 VanDerWaalsContact OG-CD 3.28Å; S134-E137 WeakPolarHBondContact OG-CG 3.43Å; S134-E137 PolarHBondContact OG-N 3.36Å; S134-E137 PolarHBondContact OG-OE2 3.38Å; S134-Q138 WeakPolarHBondContact O-CB 3.46Å; S134-Q138 PolarHBondContact O-N 3.04Å
135	V	96.4	Very high	96.4	Very high	95 Å²	95	78.6 Å²	78.6	58%	0.576	39%	0.387	S	S	*	.	H	α-helix	trans	-61.2	-37.2	179.4	176.3	0	0	0	0	111	K139	V135-K139 WeakPolarHBondContact O-CG 3.4Å; V135-K139 PolarHBondContact O-N 3.34Å
136	E	97	Very high	96.2	Very high	133 Å²	133	82.4 Å²	82.4	62%	0.621	42%	0.419	S	S	*	.	H	α-helix	trans	-67	-45.5	177.1	-67.8	69	-152.4	0	0	111.8	S134 K139 E140	S134-E136 PolarHBondContact O-N 3.19Å; E136-K139 PolarHBondContact O-N 3.25Å; E136-E140 PolarHBondContact O-N 3.4Å
137	E	97.6	Very high	96	Very high	63 Å²	63	80.6 Å²	80.6	29%	0.294	41%	0.411	S	S	.	.	H	α-helix	trans	-66.3	-37.7	177.6	-73.6	170.7	129.4	0	0	112.2	L133 S134 K139 E140 K141 F153	L133-E137 HydrophobicContact CB-CB 3.9Å; L133-E137 HydrophobicContact CD2-CB 4.32Å; L133-E137 HydrophobicContact CG-CB 4.49Å; S134-E137 WeakPolarHBondContact CB-OE2 3.3Å; S134-E137 PolarHBondContact N-OE2 2.81Å; S134-E137 PolarHBondContact O-N 3.06Å; S134-E137 WeakPolarHBondContact OG-CB 3.47Å; S134-E137 VanDerWaalsContact OG-CD 3.28Å; S134-E137 WeakPolarHBondContact OG-CG 3.43Å; S134-E137 PolarHBondContact OG-N 3.36Å; S134-E137 PolarHBondContact OG-OE2 3.38Å; E137-K139 VanDerWaalsContact C-N 3.32Å; E137-K139 PolarHBondContact O-N 2.8Å; E137-E140 WeakPolarHBondContact O-CB 3.38Å; E137-E140 PolarHBondContact O-N 2.75Å; E137-K141 WeakPolarHBondContact O-CB 3.14Å; E137-K141 PolarHBondContact O-N 2.82Å; E137-F153 HydrophobicContact CB-CE2 3.65Å; E137-F153 HydrophobicContact CB-CZ 3.85Å; E137-F153 HydrophobicContact CG-CE2 3.86Å; E137-F153 HydrophobicContact CG-CZ 3.99Å
138	Q	97.1	Very high	95.9	Very high	70 Å²	70	79.6 Å²	79.6	33%	0.327	40%	0.401	S	S	.	.	H	α-helix	trans	-61.5	-42.1	174.7	-176.7	58.6	40.6	0	0	111	L133 S134 K141 E142	L133-Q138 HydrophobicContact CB-CB 4.45Å; S134-Q138 WeakPolarHBondContact O-CB 3.46Å; S134-Q138 PolarHBondContact O-N 3.04Å; Q138-K141 PolarHBondContact O-N 3.36Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.18Å; Q138-E142 PolarHBondContact NE2-OE1 3.04Å; Q138-E142 WeakPolarHBondContact O-CG 3.24Å; Q138-E142 PolarHBondContact O-N 3.39Å
139	K	97.4	Very high	95.8	Very high	121 Å²	121	79.1 Å²	79.1	53%	0.526	40%	0.402	S	S	.	.	H	α-helix	trans	-66.7	-34.9	173.5	-71.8	174.3	-177.9	174.4	0	113	V135 E136 E137 R143	V135-K139 WeakPolarHBondContact O-CG 3.4Å; V135-K139 PolarHBondContact O-N 3.34Å; E136-K139 PolarHBondContact O-N 3.25Å; E137-K139 VanDerWaalsContact C-N 3.32Å; E137-K139 PolarHBondContact O-N 2.8Å; K139-R143 WeakPolarHBondContact O-CB 3.19Å; K139-R143 VanDerWaalsContact O-CG 3.28Å; K139-R143 WeakPolarHBondContact O-CG 3.24Å; K139-R143 PolarHBondContact O-N 2.89Å; K139-R143 VanDerWaalsContact O-N 3.1Å; K139-R143 PolarHBondContact O-NE 3.17Å
140	E	97.8	Very high	95.9	Very high	60 Å²	60	71.7 Å²	71.7	28%	0.28	37%	0.37	S	S	.	.	H	α-helix	trans	-62.6	-48	173	-173	-167.1	143.1	0	0	110.7	E136 E137 R143 G144 F153 R157	E136-E140 PolarHBondContact O-N 3.4Å; E137-E140 WeakPolarHBondContact O-CB 3.38Å; E137-E140 PolarHBondContact O-N 2.75Å; E140-R143 PolarHBondContact O-N 2.9Å; E140-G144 PolarHBondContact O-N 2.77Å; E140-F153 HydrophobicContact CB-CD2 3.95Å; E140-F153 HydrophobicContact CB-CE2 4.35Å; E140-F153 VanDerWaalsContact CD-CD2 3.43Å; E140-F153 HydrophobicContact CG-CD2 3.85Å; E140-F153 HydrophobicContact CG-CE2 4.47Å; E140-F153 WeakPolarHBondContact OE1-CD2 3.44Å; E140-R157 IonicContact OE1-CZ 2.89Å; E140-R157 IonicContact OE1-NH1 2.73Å; E140-R157 PolarHBondContact OE1-NH1 2.79Å; E140-R157 IonicContact OE1-NH2 3.97Å; E140-R157 PolarHBondContact OE1-NH2 3.24Å; E140-R157 IonicContact OE2-NH2 3.39Å; E140-R157 PolarHBondContact OE2-NH2 2.76Å; E140-R157 VanDerWaalsContact OE2-NH2 3.16Å
141	K	97.3	Very high	96.1	Very high	36 Å²	36	70.8 Å²	70.8	16%	0.157	36%	0.364	C	S	.	.	H	α-helix	trans	-57.3	-51.5	175.4	176.7	175.8	174.1	174.5	0	112.5	T130 L133 E137 Q138 R143 G144 E145 F153	T130-K141 PolarHBondContact OG1-NZ 3.17Å; L133-K141 HydrophobicContact CD1-CB 4.32Å; L133-K141 HydrophobicContact CD1-CD 3.85Å; E137-K141 WeakPolarHBondContact O-CB 3.14Å; E137-K141 PolarHBondContact O-N 2.82Å; Q138-K141 PolarHBondContact O-N 3.36Å; K141-R143 VanDerWaalsContact C-N 3.3Å; K141-R143 PolarHBondContact O-N 3.31Å; K141-G144 PolarHBondContact O-N 2.73Å; K141-G144 VanDerWaalsContact O-N 3.1Å; K141-E145 WeakPolarHBondContact CE-OE1 3.33Å; K141-E145 HydrophobicContact CG-CG 4.48Å; K141-E145 IonicContact NZ-OE1 3.95Å; K141-E145 PolarHBondContact O-N 2.72Å; K141-F153 HydrophobicContact CB-CB 3.87Å; K141-F153 HydrophobicContact CB-CD2 4.27Å; K141-F153 HydrophobicContact CB-CG 4.04Å; K141-F153 HydrophobicContact CG-CB 4.29Å
142	E	96.7	Very high	96.4	Very high	96 Å²	96	66.4 Å²	66.4	45%	0.449	34%	0.338	S	S	.	.	H	α-helix	trans	-60.2	-39.3	179.8	-74.6	167.4	-167.5	0	0	112.2	Q138 A146	Q138-E142 WeakPolarHBondContact CG-OE1 3.18Å; Q138-E142 PolarHBondContact NE2-OE1 3.04Å; Q138-E142 WeakPolarHBondContact O-CG 3.24Å; Q138-E142 PolarHBondContact O-N 3.39Å; E142-A146 VanDerWaalsContact O-CB 3.27Å; E142-A146 WeakPolarHBondContact O-CB 3.44Å; E142-A146 PolarHBondContact O-N 2.91Å
143	R	96.9	Very high	96.7	Very high	174 Å²	174	58.9 Å²	58.9	66%	0.657	30%	0.297	S	S	*	.	H	α-helix	trans	-64.7	-41.6	174.1	-75.5	-174.8	-63.2	167.4	2.4	112.1	K139 E140 K141 K147	K139-R143 WeakPolarHBondContact O-CB 3.19Å; K139-R143 VanDerWaalsContact O-CG 3.28Å; K139-R143 WeakPolarHBondContact O-CG 3.24Å; K139-R143 PolarHBondContact O-N 2.89Å; K139-R143 VanDerWaalsContact O-N 3.1Å; K139-R143 PolarHBondContact O-NE 3.17Å; E140-R143 PolarHBondContact O-N 2.9Å; K141-R143 VanDerWaalsContact C-N 3.3Å; K141-R143 PolarHBondContact O-N 3.31Å; R143-K147 VanDerWaalsContact O-CB 3.32Å; R143-K147 WeakPolarHBondContact O-CB 3.38Å; R143-K147 PolarHBondContact O-N 3.28Å
144	G	96.3	Very high	96.8	Very high	10 Å²	10	57 Å²	57	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-48.1	175.7	0	0	0	0	0	112.3	E140 K141 K147 H148	E140-G144 PolarHBondContact O-N 2.77Å; K141-G144 PolarHBondContact O-N 2.73Å; K141-G144 VanDerWaalsContact O-N 3.1Å; G144-K147 PolarHBondContact O-N 2.74Å; G144-H148 WeakPolarHBondContact O-CB 3.4Å; G144-H148 PolarHBondContact O-N 3.08Å
145	E	95.1	Very high	96.9	Very high	62 Å²	62	54.7 Å²	54.7	29%	0.29	27%	0.271	S	S	.	.	H	α-helix	trans	-63	-43.1	177.6	-72.1	174.9	168.8	0	0	112	K141 K147 C149 F150	K141-E145 WeakPolarHBondContact CE-OE1 3.33Å; K141-E145 HydrophobicContact CG-CG 4.48Å; K141-E145 IonicContact NZ-OE1 3.95Å; K141-E145 PolarHBondContact O-N 2.72Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 3.45Å; E145-C149 WeakPolarHBondContact O-CA 3.24Å; E145-C149 PolarHBondContact O-N 2.96Å; E145-F150 WeakPolarHBondContact CA-O 3.42Å
146	A	94.3	Very high	97	Very high	83 Å²	83	54.3 Å²	54.3	69%	0.686	27%	0.266	S	S	*	.	H	α-helix	trans	-63.8	-38.3	177.4	0	0	0	0	0	112.6	E142	E142-A146 VanDerWaalsContact O-CB 3.27Å; E142-A146 WeakPolarHBondContact O-CB 3.44Å; E142-A146 PolarHBondContact O-N 2.91Å
147	K	94.9	Very high	97.1	Very high	89 Å²	89	52.1 Å²	52.1	39%	0.387	25%	0.252	S	S	.	.	H	α-helix	trans	-79.7	-44.2	-177.9	-176	176	176.1	-173.3	0	113	R143 G144 E145 D229	R143-K147 VanDerWaalsContact O-CB 3.32Å; R143-K147 WeakPolarHBondContact O-CB 3.38Å; R143-K147 PolarHBondContact O-N 3.28Å; G144-K147 PolarHBondContact O-N 2.74Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 3.45Å; K147-D229 VanDerWaalsContact CE-OD2 3.28Å; K147-D229 WeakPolarHBondContact CE-OD2 3.44Å; K147-D229 IonicContact NZ-OD1 3.67Å; K147-D229 PolarHBondContact NZ-OD1 3.48Å; K147-D229 IonicContact NZ-OD2 2.71Å; K147-D229 PolarHBondContact NZ-OD2 3.09Å
148	H	95.5	Very high	97.1	Very high	13 Å²	13	49.4 Å²	49.4	6%	0.06	24%	0.24	C	C	.	.	H	α-helix	trans	-107.9	-9.3	-168.9	-59.8	-68.8	0	0	0	113.7	G144 F150 N195 R418	G144-H148 WeakPolarHBondContact O-CB 3.4Å; G144-H148 PolarHBondContact O-N 3.08Å; H148-F150 HydrophobicContact CB-CD1 3.92Å; H148-F150 HydrophobicContact CB-CD2 4.34Å; H148-F150 HydrophobicContact CB-CE1 3.61Å; H148-F150 HydrophobicContact CB-CE2 4.04Å; H148-F150 HydrophobicContact CB-CG 4.28Å; H148-F150 HydrophobicContact CB-CZ 3.65Å; H148-F150 WeakPolarHBondContact O-CD1 3.35Å; H148-F150 PolarHBondContact O-N 2.84Å; H148-N195 PolarHBondContact ND1-O 3.06Å; H148-R418 PolarHBondContact O-NH1 2.6Å
149	C	95.9	Very high	97.2	Very high	33 Å²	33	48 Å²	48	22%	0.223	24%	0.237	C	C	.	.	S	Bend	trans	59.4	24.3	-174.4	-62.4	0	0	0	0	113.9	E145 P422	E145-C149 WeakPolarHBondContact O-CA 3.24Å; E145-C149 PolarHBondContact O-N 2.96Å; C149-P422 HydrophobicContact CB-CB 4.42Å
150	F	97.2	Very high	97.2	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	22%	0.22	C	C	.	.	S	Bend	trans	-150.1	166	168.8	61.9	-106	0	0	0	109.2	E145 H148 A152 E196 A197 T200 L311 F314 V416 R418	E145-F150 WeakPolarHBondContact CA-O 3.42Å; H148-F150 HydrophobicContact CB-CD1 3.92Å; H148-F150 HydrophobicContact CB-CD2 4.34Å; H148-F150 HydrophobicContact CB-CE1 3.61Å; H148-F150 HydrophobicContact CB-CE2 4.04Å; H148-F150 HydrophobicContact CB-CG 4.28Å; H148-F150 HydrophobicContact CB-CZ 3.65Å; H148-F150 WeakPolarHBondContact O-CD1 3.35Å; H148-F150 PolarHBondContact O-N 2.84Å; F150-A152 VanDerWaalsContact C-N 3.31Å; F150-A152 HydrophobicContact CD2-CB 4.32Å; F150-A152 HydrophobicContact CE2-CB 3.9Å; F150-A152 PolarHBondContact O-N 2.73Å; F150-E196 WeakPolarHBondContact CZ-OE1 3.49Å; F150-A197 HydrophobicContact CE2-CB 4.31Å; F150-A197 HydrophobicContact CZ-CB 3.93Å; F150-T200 HydrophobicContact CE2-CG2 3.76Å; F150-T200 HydrophobicContact CZ-CG2 3.68Å; F150-L311 HydrophobicContact CB-CB 3.86Å; F150-F314 HydrophobicContact CD2-CE2 4.03Å; F150-F314 AromaticContact CD2-CZ 3.68Å; F150-F314 HydrophobicContact CD2-CZ 3.68Å; F150-F314 HydrophobicContact CE2-CZ 4Å; F150-F314 HydrophobicContact CG-CZ 4.45Å; F150-V416 HydrophobicContact CB-CG1 4.03Å; F150-V416 HydrophobicContact CD1-CG1 4.28Å; F150-V416 HydrophobicContact CG-CG1 4.22Å; F150-R418 VanDerWaalsContact CE1-CZ 3.45Å
151	N	97.8	Very high	97.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.219	C	C	.	.			trans	-73.8	78.1	-178.8	-173.8	-4.3	0	0	0	111.7	T130 F153 A154 S155 L311 N312 F314	T130-N151 PolarHBondContact OG1-ND2 3.37Å; N151-F153 PolarHBondContact O-N 2.97Å; N151-F153 WeakPolarHBondContact OD1-CB 3.39Å; N151-F153 PolarHBondContact OD1-N 3.44Å; N151-A154 HydrophobicContact CB-CB 4.2Å; N151-A154 WeakPolarHBondContact O-CB 3.48Å; N151-A154 PolarHBondContact O-N 3.1Å; N151-A154 VanDerWaalsContact O-N 3.12Å; N151-A154 PolarHBondContact OD1-N 3.14Å; N151-S155 PolarHBondContact O-N 2.92Å; N151-L311 WeakPolarHBondContact CB-O 3.05Å; N151-L311 PolarHBondContact N-O 3.35Å; N151-N312 WeakPolarHBondContact CB-O 3.5Å; N151-N312 PolarHBondContact ND2-O 3.04Å; N151-F314 VanDerWaalsContact O-CE2 3.29Å; N151-F314 WeakPolarHBondContact O-CE2 3.04Å
152	A	97.9	Very high	97.3	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.033	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-31.5	178.6	0	0	0	0	0	112.4	F150 A154 S155 D156	F150-A152 VanDerWaalsContact C-N 3.31Å; F150-A152 HydrophobicContact CD2-CB 4.32Å; F150-A152 HydrophobicContact CE2-CB 3.9Å; F150-A152 PolarHBondContact O-N 2.73Å; A152-A154 VanDerWaalsContact C-N 3.3Å; A152-A154 PolarHBondContact O-N 3.35Å; A152-S155 WeakPolarHBondContact O-CB 3.44Å; A152-S155 PolarHBondContact O-N 3.26Å; A152-S155 VanDerWaalsContact O-N 3.09Å; A152-D156 PolarHBondContact O-N 2.93Å
153	F	98.5	Very high	97.4	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-57.5	-41.5	174.1	175.6	-79	0	0	0	112.5	T130 L133 E137 E140 K141 N151 R157	T130-F153 HydrophobicContact CG2-CD1 3.8Å; T130-F153 HydrophobicContact CG2-CE1 4.03Å; L133-F153 HydrophobicContact CD1-CE1 4.22Å; L133-F153 HydrophobicContact CD1-CZ 4.35Å; L133-F153 HydrophobicContact CD2-CE1 3.7Å; L133-F153 HydrophobicContact CD2-CZ 3.69Å; E137-F153 HydrophobicContact CB-CE2 3.65Å; E137-F153 HydrophobicContact CB-CZ 3.85Å; E137-F153 HydrophobicContact CG-CE2 3.86Å; E137-F153 HydrophobicContact CG-CZ 3.99Å; E140-F153 HydrophobicContact CB-CD2 3.95Å; E140-F153 HydrophobicContact CB-CE2 4.35Å; E140-F153 VanDerWaalsContact CD-CD2 3.43Å; E140-F153 HydrophobicContact CG-CD2 3.85Å; E140-F153 HydrophobicContact CG-CE2 4.47Å; E140-F153 WeakPolarHBondContact OE1-CD2 3.44Å; K141-F153 HydrophobicContact CB-CB 3.87Å; K141-F153 HydrophobicContact CB-CD2 4.27Å; K141-F153 HydrophobicContact CB-CG 4.04Å; K141-F153 HydrophobicContact CG-CB 4.29Å; N151-F153 PolarHBondContact O-N 2.97Å; N151-F153 WeakPolarHBondContact OD1-CB 3.39Å; N151-F153 PolarHBondContact OD1-N 3.44Å; F153-R157 VanDerWaalsContact CD2-NH1 3.32Å; F153-R157 VanDerWaalsContact CZ-NE 3.33Å; F153-R157 PolarHBondContact O-NH1 3.49Å
154	A	98.4	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.1	-48.8	172.9	0	0	0	0	0	110.8	F128 T130 N151 A152 D156 R157 I158 F314	F128-A154 HydrophobicContact CD1-CB 3.83Å; F128-A154 HydrophobicContact CE1-CB 4.36Å; T130-A154 HydrophobicContact CG2-CB 3.87Å; N151-A154 HydrophobicContact CB-CB 4.2Å; N151-A154 WeakPolarHBondContact O-CB 3.48Å; N151-A154 PolarHBondContact O-N 3.1Å; N151-A154 VanDerWaalsContact O-N 3.12Å; N151-A154 PolarHBondContact OD1-N 3.14Å; A152-A154 VanDerWaalsContact C-N 3.3Å; A152-A154 PolarHBondContact O-N 3.35Å; A154-D156 VanDerWaalsContact C-N 3.3Å; A154-D156 PolarHBondContact O-N 3.42Å; A154-R157 PolarHBondContact O-N 2.77Å; A154-R157 VanDerWaalsContact O-N 3.12Å; A154-I158 VanDerWaalsContact O-CG1 3.32Å; A154-I158 WeakPolarHBondContact O-CG1 3.21Å; A154-I158 PolarHBondContact O-N 3.04Å; A154-F314 HydrophobicContact CB-CD2 4.13Å
155	S	98.6	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56	-43.3	179.2	-174.7	0	0	0	0	112.5	N151 A152 R157 I158 S199 T200 R203	N151-S155 PolarHBondContact O-N 2.92Å; A152-S155 WeakPolarHBondContact O-CB 3.44Å; A152-S155 PolarHBondContact O-N 3.26Å; A152-S155 VanDerWaalsContact O-N 3.09Å; S155-R157 PolarHBondContact O-N 3.3Å; S155-I158 PolarHBondContact O-N 3.39Å; S155-I158 VanDerWaalsContact O-N 3.13Å; S155-S199 WeakPolarHBondContact CB-OG 3.35Å; S155-S199 WeakPolarHBondContact OG-CB 3.24Å; S155-S199 PolarHBondContact OG-OG 2.78Å; S155-T200 WeakPolarHBondContact OG-CG2 3.16Å; S155-R203 PolarHBondContact O-NH2 2.88Å; S155-R203 PolarHBondContact OG-NH1 3.01Å; S155-R203 PolarHBondContact OG-NH2 3.43Å
156	D	98.6	Very high	97.6	Very high	87 Å²	87	32.1 Å²	32.1	47%	0.465	18%	0.183	S	C	.	.	H	α-helix	trans	-66.8	-18.4	-177	-67.4	-17.2	0	0	0	113.2	A152 A154 S199	A152-D156 PolarHBondContact O-N 2.93Å; A154-D156 VanDerWaalsContact C-N 3.3Å; A154-D156 PolarHBondContact O-N 3.42Å; D156-S199 WeakPolarHBondContact OD1-CB 3.43Å; D156-S199 PolarHBondContact OD1-OG 2.83Å
157	R	98.4	Very high	97.8	Very high	88 Å²	88	30.3 Å²	30.3	33%	0.332	16%	0.161	S	C	.	.	H	α-helix	trans	-102.4	-4.4	178	-70.8	163.4	176.8	71.8	-2.2	113.3	F128 E140 F153 A154 S155	F128-R157 HydrophobicContact CE1-CB 3.96Å; E140-R157 IonicContact OE1-CZ 2.89Å; E140-R157 IonicContact OE1-NH1 2.73Å; E140-R157 PolarHBondContact OE1-NH1 2.79Å; E140-R157 IonicContact OE1-NH2 3.97Å; E140-R157 PolarHBondContact OE1-NH2 3.24Å; E140-R157 IonicContact OE2-NH2 3.39Å; E140-R157 PolarHBondContact OE2-NH2 2.76Å; E140-R157 VanDerWaalsContact OE2-NH2 3.16Å; F153-R157 VanDerWaalsContact CD2-NH1 3.32Å; F153-R157 VanDerWaalsContact CZ-NE 3.33Å; F153-R157 PolarHBondContact O-NH1 3.49Å; A154-R157 PolarHBondContact O-N 2.77Å; A154-R157 VanDerWaalsContact O-N 3.12Å; S155-R157 PolarHBondContact O-N 3.3Å
158	I	98.8	Very high	97.9	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.031	15%	0.153	C	C	.	.	S	Bend	trans	-95.9	132.4	174.5	-67.7	167.1	0	0	0	109	P121 F128 A154 S155 L160 R162 R203 F314	P121-I158 HydrophobicContact CB-CG1 4.37Å; F128-I158 HydrophobicContact CB-CD1 4.05Å; F128-I158 HydrophobicContact CB-CG1 4.39Å; F128-I158 HydrophobicContact CD1-CD1 4.3Å; F128-I158 HydrophobicContact CD1-CG1 4.18Å; A154-I158 VanDerWaalsContact O-CG1 3.32Å; A154-I158 WeakPolarHBondContact O-CG1 3.21Å; A154-I158 PolarHBondContact O-N 3.04Å; S155-I158 PolarHBondContact O-N 3.39Å; S155-I158 VanDerWaalsContact O-N 3.13Å; I158-L160 PolarHBondContact O-N 3.22Å; I158-R162 VanDerWaalsContact CG2-CD 3.45Å; I158-R162 HydrophobicContact CG2-CG 4.49Å; I158-R203 PolarHBondContact O-NH2 2.98Å; I158-F314 HydrophobicContact CD1-CB 3.42Å; I158-F314 VanDerWaalsContact CD1-CB 3.42Å; I158-F314 HydrophobicContact CD1-CG 3.99Å
159	S	98.7	Very high	98	Very high	39 Å²	39	27.9 Å²	27.9	27%	0.273	15%	0.153	S	C	.	.			trans	-48.7	137.1	178.6	175.9	0	0	0	0	112.4	Q116 H161 R162 R203	Q116-S159 PolarHBondContact OE1-OG 3.03Å; Q116-S159 VanDerWaalsContact OE1-OG 3.08Å; S159-H161 PolarHBondContact O-N 2.96Å; S159-H161 PolarHBondContact OG-N 3.44Å; S159-R162 PolarHBondContact OG-N 2.92Å; S159-R203 PolarHBondContact O-NE 3.21Å; S159-R203 VanDerWaalsContact O-NE 3.15Å
160	L	98.7	Very high	98.1	Very high	34 Å²	34	26.7 Å²	26.7	18%	0.178	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.3	169.6	-56.6	-178.1	0	0	0	111.9	I158 S199 L202 R203 H206	I158-L160 PolarHBondContact O-N 3.22Å; L160-S199 VanDerWaalsContact CD2-O 3.28Å; L160-S199 WeakPolarHBondContact CD2-O 3.46Å; L160-L202 HydrophobicContact CD1-CB 4.05Å; L160-L202 HydrophobicContact CD1-CD1 4.23Å; L160-L202 HydrophobicContact CD2-CB 4.34Å; L160-R203 HydrophobicContact CD2-CB 4.29Å; L160-H206 WeakPolarHBondContact O-CB 3.23Å
161	H	98.6	Very high	98.2	Very high	54 Å²	54	29.8 Å²	29.8	25%	0.25	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	9.3	-172.3	-41.2	-64.7	0	0	0	113	R113 P114 Q116 S159 D163 H206 Y210	R113-H161 VanDerWaalsContact CD-O 3.24Å; R113-H161 WeakPolarHBondContact CD-O 3.38Å; R113-H161 WeakPolarHBondContact CG-O 3.41Å; R113-H161 PolarHBondContact NE-O 3.5Å; P114-H161 HydrophobicContact CG-CB 3.89Å; Q116-H161 VanDerWaalsContact CD-O 3.24Å; Q116-H161 PolarHBondContact NE2-O 3.21Å; Q116-H161 PolarHBondContact OE1-O 2.88Å; S159-H161 PolarHBondContact O-N 2.96Å; S159-H161 PolarHBondContact OG-N 3.44Å; H161-D163 PolarHBondContact O-N 3.37Å; H161-H206 AromaticContact CE1-CE1 3.48Å; H161-H206 PolarHBondContact CE1-CE1 3.48Å; H161-H206 VanDerWaalsContact CE1-CE1 3.48Å; H161-H206 AromaticContact CE1-ND1 3.68Å; H161-H206 AromaticContact CE1-NE2 3.69Å; H161-H206 AromaticContact ND1-CE1 3.78Å; H161-H206 AromaticContact ND1-CG 3.78Å; H161-H206 AromaticContact ND1-ND1 3.5Å; H161-H206 PolarHBondContact ND1-ND1 2.89Å; H161-Y210 HydrophobicContact CB-CE2 3.88Å; H161-Y210 AromaticContact ND1-CE2 3.61Å; H161-Y210 AromaticContact ND1-CZ 3.69Å; H161-Y210 PolarHBondContact ND1-OH 3.1Å
162	R	98.6	Very high	98.2	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.026	18%	0.179	C	C	.	.			trans	-53.9	141.6	-172.8	81	179.3	-155.2	166.9	-11.9	111.4	G122 I158 S159 E281 F314	G122-R162 WeakPolarHBondContact O-CD 3.43Å; G122-R162 PolarHBondContact O-NH1 3.5Å; I158-R162 VanDerWaalsContact CG2-CD 3.45Å; I158-R162 HydrophobicContact CG2-CG 4.49Å; S159-R162 PolarHBondContact OG-N 2.92Å; R162-E281 IonicContact CZ-OE1 2.95Å; R162-E281 IonicContact CZ-OE2 2.67Å; R162-E281 IonicContact NE-OE1 3.57Å; R162-E281 PolarHBondContact NE-OE1 2.75Å; R162-E281 IonicContact NE-OE2 3.34Å; R162-E281 PolarHBondContact NE-OE2 3.49Å; R162-E281 IonicContact NH2-OE1 3.03Å; R162-E281 PolarHBondContact NH2-OE1 3.09Å; R162-E281 IonicContact NH2-OE2 3.63Å; R162-F314 PolarHBondContact NH1-O 3.35Å; R162-F314 PolarHBondContact NH2-O 3.09Å
163	D	98.3	Very high	98.2	Very high	27 Å²	27	32.7 Å²	32.7	14%	0.144	18%	0.179	C	C	.	.			trans	-78.8	167.4	165.3	67.7	92.5	0	0	0	111.1	Q116 S124 G125 H161 G165	Q116-D163 VanDerWaalsContact CB-OD2 3.3Å; Q116-D163 WeakPolarHBondContact CB-OD2 3.43Å; Q116-D163 HydrophobicContact CG-CB 4.38Å; Q116-D163 WeakPolarHBondContact CG-OD2 3.43Å; S124-D163 CarbonylContact C-O 3.48Å; S124-D163 WeakPolarHBondContact CA-O 3.41Å; S124-D163 VanDerWaalsContact CA-OD1 3.27Å; S124-D163 WeakPolarHBondContact CA-OD1 3.37Å; S124-D163 WeakPolarHBondContact CB-OD1 3.31Å; S124-D163 PolarHBondContact N-O 3.31Å; S124-D163 PolarHBondContact OG-OD1 3.05Å; G125-D163 PolarHBondContact N-O 3.09Å; H161-D163 PolarHBondContact O-N 3.37Å; D163-G165 VanDerWaalsContact OD1-CA 3.3Å; D163-G165 WeakPolarHBondContact OD1-CA 3.4Å; D163-G165 PolarHBondContact OD1-N 3.49Å
164	L	98.4	Very high	98.1	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	20%	0.198	C	C	.	.			trans	-108.7	25.2	176.4	-60.8	178.1	0	0	0	111.2	S124 E281 F283 Y284 F316 K318	S124-L164 CarbonylContact O-C 3.56Å; L164-E281 HydrophobicContact CD1-CB 4.37Å; L164-F283 HydrophobicContact CB-CD2 3.93Å; L164-F283 HydrophobicContact CB-CE2 3.73Å; L164-F283 HydrophobicContact CD1-CD2 3.63Å; L164-F283 HydrophobicContact CD1-CE2 4.29Å; L164-F283 HydrophobicContact CG-CD2 4.44Å; L164-Y284 PolarHBondContact N-OH 3.21Å; L164-F316 HydrophobicContact CD1-CD2 3.85Å; L164-F316 HydrophobicContact CD1-CE2 3.6Å; L164-F316 HydrophobicContact CD1-CG 4.42Å; L164-F316 HydrophobicContact CD1-CZ 4Å; L164-F316 HydrophobicContact CD2-CB 4.15Å; L164-F316 HydrophobicContact CD2-CD2 3.79Å; L164-F316 HydrophobicContact CD2-CE2 4.4Å; L164-F316 HydrophobicContact CD2-CG 4.03Å; L164-F316 HydrophobicContact CG-CD2 4.46Å; L164-K318 WeakPolarHBondContact O-CE 3.39Å; L164-K318 PolarHBondContact O-NZ 2.95Å
165	G	97.3	Very high	98.1	Very high	11 Å²	11	42.9 Å²	42.9	11%	0.113	23%	0.228	C	C	.	.			trans	71.4	-154.9	-177.6	0	0	0	0	0	113.1	D163 Y284	D163-G165 VanDerWaalsContact OD1-CA 3.3Å; D163-G165 WeakPolarHBondContact OD1-CA 3.4Å; D163-G165 PolarHBondContact OD1-N 3.49Å; G165-Y284 WeakPolarHBondContact O-CE2 3.16Å; G165-Y284 PolarHBondContact O-OH 3.17Å
166	P	97.3	Very high	98.1	Very high	92 Å²	92	45.2 Å²	45.2	60%	0.597	24%	0.239	S	C	*	.	S	Bend	trans	-66.7	153.5	175.7	29	-34.5	0	0	0	111.4	T168	P166-T168 HydrophobicContact CG-CG2 4.33Å; P166-T168 PolarHBondContact O-N 3.3Å
167	D	97.8	Very high	98	Very high	44 Å²	44	47.5 Å²	47.5	24%	0.235	25%	0.245	C	C	.	.			trans	-70	114.3	170	-167.8	-16.9	0	0	0	109.3	R169 I174 F283 Y284	D167-R169 VanDerWaalsContact OD1-CB 3.32Å; D167-R169 WeakPolarHBondContact OD1-CB 3.41Å; D167-R169 WeakPolarHBondContact OD1-CG 3.41Å; D167-R169 IonicContact OD1-CZ 3.42Å; D167-R169 PolarHBondContact OD1-N 3.22Å; D167-R169 IonicContact OD1-NE 2.76Å; D167-R169 PolarHBondContact OD1-NE 3.29Å; D167-R169 IonicContact OD2-CZ 3.57Å; D167-R169 IonicContact OD2-NE 3.54Å; D167-R169 PolarHBondContact OD2-NE 3.23Å; D167-R169 IonicContact OD2-NH2 2.68Å; D167-R169 PolarHBondContact OD2-NH2 2.89Å; D167-I174 HydrophobicContact CB-CD1 4.2Å; D167-F283 WeakPolarHBondContact OD1-CE1 3.26Å; D167-Y284 HydrophobicContact CB-CD2 3.99Å
168	T	97.4	Very high	98	Very high	35 Å²	35	44.2 Å²	44.2	22%	0.215	23%	0.233	C	C	.	.			trans	-109.4	16.5	-178.2	57.9	0	0	0	0	112.5	P166 P319 S320 P321	P166-T168 HydrophobicContact CG-CG2 4.33Å; P166-T168 PolarHBondContact O-N 3.3Å; T168-P319 VanDerWaalsContact CB-O 3.25Å; T168-P319 WeakPolarHBondContact CB-O 3.46Å; T168-P319 CarbonylContact O-C 3.51Å; T168-P319 VanDerWaalsContact O-O 3.07Å; T168-P319 PolarHBondContact OG1-O 2.8Å; T168-S320 CarbonylContact O-C 3.48Å; T168-P321 WeakPolarHBondContact O-CA 3.13Å; T168-P321 WeakPolarHBondContact O-CD 3.25Å
169	R	97.9	Very high	97.9	Very high	16 Å²	16	49.4 Å²	49.4	6%	0.06	26%	0.255	C	S	.	.	S	Bend	trans	-65.2	161.8	172.4	-69.5	178.7	-60.7	157.9	4.9	111	D167 C173 I174 F283 Y284 G285 P319 C410 V412	D167-R169 VanDerWaalsContact OD1-CB 3.32Å; D167-R169 WeakPolarHBondContact OD1-CB 3.41Å; D167-R169 WeakPolarHBondContact OD1-CG 3.41Å; D167-R169 IonicContact OD1-CZ 3.42Å; D167-R169 PolarHBondContact OD1-N 3.22Å; D167-R169 IonicContact OD1-NE 2.76Å; D167-R169 PolarHBondContact OD1-NE 3.29Å; D167-R169 IonicContact OD2-CZ 3.57Å; D167-R169 IonicContact OD2-NE 3.54Å; D167-R169 PolarHBondContact OD2-NE 3.23Å; D167-R169 IonicContact OD2-NH2 2.68Å; D167-R169 PolarHBondContact OD2-NH2 2.89Å; R169-C173 HydrophobicContact CB-CB 4.03Å; R169-I174 HydrophobicContact CB-CG1 4.24Å; R169-F283 HydrophobicContact CG-CD1 4.06Å; R169-F283 HydrophobicContact CG-CE1 3.99Å; R169-Y284 PolarHBondContact NE-O 3.42Å; R169-Y284 PolarHBondContact NH1-O 3.28Å; R169-Y284 VanDerWaalsContact NH1-O 3.14Å; R169-Y284 PolarHBondContact NH2-O 3.38Å; R169-G285 PolarHBondContact NH1-O 3.49Å; R169-P319 HydrophobicContact CG-CB 4.19Å; R169-P319 HydrophobicContact CG-CG 3.63Å; R169-C410 WeakPolarHBondContact CD-O 3.49Å; R169-C410 PolarHBondContact NH1-O 2.85Å; R169-V412 HydrophobicContact CG-CG2 4.41Å
170	P	97.7	Very high	97.8	Very high	9 Å²	9	49.6 Å²	49.6	6%	0.058	25%	0.25	C	C	.	.			trans	-49.7	140.6	169.2	-27.4	34.8	0	0	0	112	E172 C173 I174 E353	P170-E172 HydrophobicContact CB-CG 4.31Å; P170-E172 WeakPolarHBondContact CB-OE2 3.31Å; P170-E172 PolarHBondContact O-N 3.32Å; P170-C173 VanDerWaalsContact O-CB 3.28Å; P170-C173 WeakPolarHBondContact O-CB 3.48Å; P170-C173 PolarHBondContact O-N 3.02Å; P170-I174 PolarHBondContact O-N 2.96Å; P170-E353 HydrophobicContact CB-CB 3.92Å; P170-E353 HydrophobicContact CB-CG 3.98Å; P170-E353 HydrophobicContact CG-CB 3.83Å; P170-E353 HydrophobicContact CG-CG 3.68Å
171	P	97.8	Very high	97.6	Very high	66 Å²	66	50 Å²	50	43%	0.429	26%	0.256	S	S	.	.	H	α-helix	trans	-53	-39.6	-175.9	-28	35.2	0	0	0	113.7	C173 I174 E175	P171-C173 PolarHBondContact O-N 3.21Å; P171-I174 PolarHBondContact O-N 3.01Å; P171-E175 WeakPolarHBondContact O-CB 3.48Å; P171-E175 WeakPolarHBondContact O-CG 3.37Å; P171-E175 PolarHBondContact O-N 3.26Å
172	E	97.6	Very high	97.4	Very high	61 Å²	61	50.5 Å²	50.5	29%	0.285	26%	0.263	S	S	.	.	H	α-helix	trans	-61.2	-28	177.9	63.2	-93.1	-142.3	0	0	113.4	P170 Q176 D352 E353 T354	P170-E172 HydrophobicContact CB-CG 4.31Å; P170-E172 WeakPolarHBondContact CB-OE2 3.31Å; P170-E172 PolarHBondContact O-N 3.32Å; E172-Q176 WeakPolarHBondContact O-CB 3.45Å; E172-Q176 PolarHBondContact O-N 2.88Å; E172-Q176 VanDerWaalsContact O-N 3.1Å; E172-D352 HydrophobicContact CG-CB 4.08Å; E172-E353 HydrophobicContact CG-CB 4.11Å; E172-E353 WeakPolarHBondContact OE1-CB 3.19Å; E172-E353 WeakPolarHBondContact OE1-CG 3.29Å; E172-E353 PolarHBondContact OE1-N 3.24Å; E172-T354 HydrophobicContact CB-CG2 4.12Å; E172-T354 HydrophobicContact CG-CG2 4.01Å
173	C	98.1	Very high	97.3	Very high	5 Å²	5	52 Å²	52	3%	0.034	27%	0.274	C	S	.	.	H	α-helix	trans	-75.2	-37.6	174.6	-65.2	0	0	0	0	111.9	R169 P170 P171 C410	R169-C173 HydrophobicContact CB-CB 4.03Å; P170-C173 VanDerWaalsContact O-CB 3.28Å; P170-C173 WeakPolarHBondContact O-CB 3.48Å; P170-C173 PolarHBondContact O-N 3.02Å; P171-C173 PolarHBondContact O-N 3.21Å; C173-C410 WeakPolarHBondContact CA-SG 3.22Å; C173-C410 HydrophobicContact CB-CB 3.53Å; C173-C410 WeakPolarHBondContact CB-SG 3.08Å; C173-C410 WeakPolarHBondContact SG-CA 3.37Å; C173-C410 WeakPolarHBondContact SG-CB 3.31Å; C173-C410 CovalentContact SG-SG 2.04Å; C173-C410 PolarHBondContact SG-SG 2.76Å
174	I	97.9	Very high	97.3	Very high	81 Å²	81	51 Å²	51	42%	0.415	27%	0.269	S	S	.	.	H	α-helix	trans	-71.8	-38	178.5	-57.4	176.5	0	0	0	110	D167 R169 P170 P171	D167-I174 HydrophobicContact CB-CD1 4.2Å; R169-I174 HydrophobicContact CB-CG1 4.24Å; P170-I174 PolarHBondContact O-N 2.96Å; P171-I174 PolarHBondContact O-N 3.01Å
175	E	97.9	Very high	97.2	Very high	136 Å²	136	51.4 Å²	51.4	64%	0.636	27%	0.272	S	S	*	.	H	α-helix	trans	-83.5	-13	-177.8	-67.3	177.4	-175.7	0	0	113.5	P171 K177	P171-E175 WeakPolarHBondContact O-CB 3.48Å; P171-E175 WeakPolarHBondContact O-CG 3.37Å; P171-E175 PolarHBondContact O-N 3.26Å; E175-K177 WeakPolarHBondContact O-CE 3.5Å; E175-K177 PolarHBondContact O-N 2.56Å
176	Q	98.1	Very high	97.3	Very high	49 Å²	49	51.8 Å²	51.8	23%	0.229	27%	0.271	C	S	.	.			trans	-51	134.4	-176.1	-165.3	174.9	13.5	0	0	112.1	E172 F178 T354	E172-Q176 WeakPolarHBondContact O-CB 3.45Å; E172-Q176 PolarHBondContact O-N 2.88Å; E172-Q176 VanDerWaalsContact O-N 3.1Å; Q176-F178 HydrophobicContact CB-CZ 4.31Å; Q176-F178 HydrophobicContact CG-CE1 4.02Å; Q176-F178 HydrophobicContact CG-CZ 3.95Å; Q176-T354 HydrophobicContact CG-CG2 4.39Å
177	K	98	Very high	97.4	Very high	135 Å²	135	47.4 Å²	47.4	59%	0.587	24%	0.243	S	C	*	.			trans	-114.9	137.6	175.7	-56.2	-58.5	174	-156.8	0	110.1	Y101 E175	Y101-K177 HydrophobicContact CD1-CB 3.41Å; Y101-K177 VanDerWaalsContact CD1-CB 3.41Å; Y101-K177 HydrophobicContact CE1-CB 3.97Å; Y101-K177 HydrophobicContact CG-CB 3.8Å; E175-K177 WeakPolarHBondContact O-CE 3.5Å; E175-K177 PolarHBondContact O-N 2.56Å
178	F	98	Very high	97.4	Very high	20 Å²	20	45.3 Å²	45.3	9%	0.088	23%	0.232	C	C	.	.			trans	-103.6	125.9	-178.6	-56.9	-74.9	0	0	0	110.4	Y101 Y102 L107 Q176 L184 E288 P289 A292	Y101-F178 CarbonylContact C-O 3.19Å; Y101-F178 WeakPolarHBondContact CA-O 3.38Å; Y101-F178 WeakPolarHBondContact CB-O 3.33Å; Y102-F178 HydrophobicContact CD2-CB 4.19Å; Y102-F178 WeakPolarHBondContact CD2-O 3.5Å; Y102-F178 PolarHBondContact N-O 3.26Å; L107-F178 HydrophobicContact CD1-CD2 4.18Å; Q176-F178 HydrophobicContact CB-CZ 4.31Å; Q176-F178 HydrophobicContact CG-CE1 4.02Å; Q176-F178 HydrophobicContact CG-CZ 3.95Å; F178-L184 HydrophobicContact CB-CD1 3.96Å; F178-L184 HydrophobicContact CB-CD2 4.39Å; F178-L184 HydrophobicContact CB-CG 4.44Å; F178-L184 HydrophobicContact CG-CD1 4.35Å; F178-E288 HydrophobicContact CD1-CB 4.22Å; F178-E288 HydrophobicContact CD2-CB 3.69Å; F178-E288 HydrophobicContact CD2-CG 4.25Å; F178-E288 HydrophobicContact CE1-CB 3.88Å; F178-E288 HydrophobicContact CE2-CB 3.31Å; F178-E288 HydrophobicContact CE2-CG 4.05Å; F178-E288 HydrophobicContact CG-CB 4.14Å; F178-E288 HydrophobicContact CZ-CB 3.42Å; F178-E288 VanDerWaalsContact CZ-CB 3.42Å; F178-P289 HydrophobicContact CE1-CG 4.43Å; F178-P289 HydrophobicContact CZ-CG 4.07Å; F178-A292 HydrophobicContact CD1-CB 3.61Å; F178-A292 HydrophobicContact CE1-CB 3.98Å
179	K	96.9	Very high	97.5	Very high	114 Å²	114	43.6 Å²	43.6	50%	0.496	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-66.4	145.9	179.2	-65.7	174.3	-175.8	167.3	0	109.4	Y101 Y102	Y101-K179 HydrophobicContact CD1-CG 4.02Å; Y101-K179 HydrophobicContact CE1-CG 3.55Å; Y102-K179 WeakPolarHBondContact CE2-O 2.83Å
180	R	96.1	Very high	97.6	Very high	43 Å²	43	42.9 Å²	42.9	16%	0.162	22%	0.219	C	C	.	.	S	Bend	trans	-80.1	-7.5	170	-64	-168.4	-173.4	93.8	1.1	113.2	L98 Q99 G100 Y101 Y102 E106 P182 P183	L98-R180 HydrophobicContact CB-CB 3.92Å; L98-R180 CarbonylContact O-C 3.57Å; L98-R180 VanDerWaalsContact O-CB 3.29Å; L98-R180 WeakPolarHBondContact O-CB 3.25Å; Q99-R180 PolarHBondContact O-NH1 3.39Å; Q99-R180 VanDerWaalsContact O-NH1 3.14Å; G100-R180 PolarHBondContact O-N 3.14Å; Y101-R180 PolarHBondContact O-NH1 2.92Å; Y101-R180 PolarHBondContact O-NH2 2.81Å; Y102-R180 HydrophobicContact CD1-CG 4.13Å; Y102-R180 HydrophobicContact CD2-CG 3.87Å; Y102-R180 HydrophobicContact CE1-CG 4.14Å; Y102-R180 HydrophobicContact CE2-CB 4.22Å; Y102-R180 HydrophobicContact CE2-CG 3.86Å; Y102-R180 HydrophobicContact CG-CG 4Å; E106-R180 VanDerWaalsContact CD-NH2 3.31Å; E106-R180 IonicContact OE1-CZ 2.68Å; E106-R180 IonicContact OE1-NE 2.73Å; E106-R180 PolarHBondContact OE1-NE 2.99Å; E106-R180 IonicContact OE1-NH2 3.75Å; E106-R180 PolarHBondContact OE1-NH2 3.21Å; E106-R180 VanDerWaalsContact OE1-NH2 3.16Å; E106-R180 IonicContact OE2-CZ 3.47Å; E106-R180 IonicContact OE2-NE 3.69Å; E106-R180 IonicContact OE2-NH2 3.38Å; E106-R180 PolarHBondContact OE2-NH2 3.01Å; R180-P182 CarbonylContact C-O 3.49Å; R180-P182 CarbonylContact O-C 3.55Å; R180-P183 WeakPolarHBondContact O-CA 3.4Å
181	C	94.1	Very high	97.6	Very high	44 Å²	44	42.5 Å²	42.5	30%	0.297	22%	0.216	S	C	.	.	S	Bend	trans	-137.8	121.7	175.3	-166.1	0	0	0	0	112.1	C97	C97-C181 HydrophobicContact CB-CB 4.04Å; C97-C181 WeakPolarHBondContact CB-SG 3.49Å; C97-C181 WeakPolarHBondContact SG-CB 3.13Å; C97-C181 CovalentContact SG-SG 2.02Å; C97-C181 PolarHBondContact SG-SG 2.96Å
182	P	94.5	Very high	97.7	Very high	63 Å²	63	40 Å²	40	41%	0.409	20%	0.2	S	C	.	.	S	Bend	cis	-56.8	146.8	-10.4	27.7	-34.7	0	0	0	111	R180 A295	R180-P182 CarbonylContact C-O 3.49Å; R180-P182 CarbonylContact O-C 3.55Å; P182-A295 HydrophobicContact CB-CB 4.38Å; P182-A295 HydrophobicContact CG-CB 4Å; P182-A295 WeakPolarHBondContact CG-O 3.36Å
183	P	96.1	Very high	97.7	Very high	39 Å²	39	37.4 Å²	37.4	25%	0.253	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-64.7	149.9	179.2	27.8	-34.4	0	0	0	110	R180	R180-P183 WeakPolarHBondContact O-CA 3.4Å
184	L	97.8	Very high	97.7	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.031	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-63.1	127.5	171	-67.4	178.2	0	0	0	108.9	Y102 L107 F178 L216 A292	Y102-L184 HydrophobicContact CD2-CD1 4Å; Y102-L184 HydrophobicContact CD2-CG 4.26Å; Y102-L184 HydrophobicContact CE2-CB 4.2Å; Y102-L184 HydrophobicContact CE2-CD1 3.87Å; Y102-L184 HydrophobicContact CE2-CG 3.69Å; Y102-L184 PolarHBondContact OH-N 3.48Å; L107-L184 HydrophobicContact CD2-CD1 4.45Å; F178-L184 HydrophobicContact CB-CD1 3.96Å; F178-L184 HydrophobicContact CB-CD2 4.39Å; F178-L184 HydrophobicContact CB-CG 4.44Å; F178-L184 HydrophobicContact CG-CD1 4.35Å; L184-L216 HydrophobicContact CB-CD1 4.46Å; L184-L216 HydrophobicContact CB-CD2 3.51Å; L184-L216 HydrophobicContact CD1-CD1 3.86Å; L184-L216 HydrophobicContact CD1-CD2 4.17Å; L184-L216 HydrophobicContact CG-CD2 4.5Å; L184-A292 VanDerWaalsContact CD2-CA 3.44Å; L184-A292 HydrophobicContact CD2-CB 3.64Å
185	P	98.1	Very high	97.6	Very high	11 Å²	11	36.3 Å²	36.3	7%	0.071	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-68.8	153.8	178.4	28.4	-35.4	0	0	0	110.6	E271 T272 L291	P185-E271 HydrophobicContact CB-CB 3.85Å; P185-T272 HydrophobicContact CB-CG2 3.83Å; P185-T272 HydrophobicContact CG-CG2 3.63Å; P185-L291 WeakPolarHBondContact CD-O 3.29Å; P185-L291 HydrophobicContact CG-CB 4.12Å; P185-L291 HydrophobicContact CG-CD2 4.44Å; P185-L291 WeakPolarHBondContact O-CD1 3.39Å
186	T	98.8	Very high	97.6	Very high	18 Å²	18	30.1 Å²	30.1	11%	0.11	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-75.3	150.6	167.8	55.1	0	0	0	0	110.7	L216 A270 E271 T272	T186-L216 CarbonylContact C-O 3.6Å; T186-L216 WeakPolarHBondContact CA-O 3.5Å; T186-A270 WeakPolarHBondContact O-CB 3.34Å; T186-E271 PolarHBondContact N-OE1 3.42Å; T186-E271 PolarHBondContact O-N 3.24Å; T186-E271 PolarHBondContact OG1-OE1 3.49Å; T186-T272 PolarHBondContact O-N 2.84Å; T186-T272 PolarHBondContact O-OG1 2.92Å; T186-T272 VanDerWaalsContact O-OG1 3.05Å
187	T	98.9	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.2	178.1	-156.3	0	0	0	0	113.6	V189 L216 L217 K218 T272 T274 L287 L291	T187-V189 HydrophobicContact CG2-CG2 4.07Å; T187-L216 PolarHBondContact N-O 3.42Å; T187-L217 HydrophobicContact CG2-CD1 4.33Å; T187-K218 WeakPolarHBondContact O-CB 3.1Å; T187-K218 PolarHBondContact O-N 3.16Å; T187-T272 WeakPolarHBondContact CA-O 3.19Å; T187-T272 WeakPolarHBondContact CA-OG1 3.3Å; T187-T272 WeakPolarHBondContact CB-OG1 3.31Å; T187-T272 PolarHBondContact OG1-O 3.39Å; T187-T272 PolarHBondContact OG1-OG1 2.92Å; T187-T274 PolarHBondContact OG1-OG1 3.4Å; T187-L287 HydrophobicContact CG2-CD1 4.13Å; T187-L287 HydrophobicContact CG2-CD2 4.03Å; T187-L291 HydrophobicContact CG2-CD1 4.34Å
188	S	98.9	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113.2	165	-65.3	0	0	0	0	107.1	E219 T269 A270 T272 T274	S188-E219 WeakPolarHBondContact OG-CG 3.41Å; S188-E219 PolarHBondContact OG-OE1 2.76Å; S188-T269 PolarHBondContact OG-N 2.79Å; S188-A270 WeakPolarHBondContact OG-CB 3.49Å; S188-A270 PolarHBondContact OG-N 3.42Å; S188-A270 VanDerWaalsContact OG-N 3.15Å; S188-T272 PolarHBondContact N-O 3.21Å; S188-T274 PolarHBondContact O-N 2.81Å
189	V	98.9	Very high	97.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	121.3	176.1	175.9	0	0	0	0	108.6	T187 I191 V208 L217 E219 I220 I221 T274 L276	T187-V189 HydrophobicContact CG2-CG2 4.07Å; V189-I191 HydrophobicContact CG1-CD1 4.18Å; V189-I191 HydrophobicContact CG1-CG1 4.07Å; V189-V208 HydrophobicContact CB-CG1 4.47Å; V189-V208 HydrophobicContact CG1-CG1 4.34Å; V189-V208 HydrophobicContact CG1-CG2 4.36Å; V189-V208 HydrophobicContact CG2-CG1 4.07Å; V189-L217 HydrophobicContact CB-CD1 4.22Å; V189-L217 HydrophobicContact CG2-CD1 3.49Å; V189-L217 VanDerWaalsContact CG2-CD1 3.49Å; V189-E219 PolarHBondContact N-O 2.83Å; V189-I220 HydrophobicContact CB-CG1 4.38Å; V189-I220 CarbonylContact O-C 3.5Å; V189-I220 WeakPolarHBondContact O-CA 3.49Å; V189-I221 PolarHBondContact O-N 3.25Å; V189-T274 CarbonylContact C-O 3.47Å; V189-T274 VanDerWaalsContact CA-O 3.25Å; V189-T274 WeakPolarHBondContact CA-O 3.43Å; V189-T274 HydrophobicContact CG2-CG2 4.48Å; V189-L276 HydrophobicContact CG1-CD1 4Å; V189-L276 HydrophobicContact CG1-CG 4.4Å
190	I	98.9	Very high	97.8	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.9	-178.6	-61.6	163.7	0	0	0	108.6	I221 V223 A265 A268 L273 T274 F275 L276	I190-I221 WeakPolarHBondContact CA-O 3.21Å; I190-I221 HydrophobicContact CG1-CB 4.33Å; I190-I221 HydrophobicContact CG1-CD1 4.24Å; I190-V223 HydrophobicContact CG2-CG2 4.18Å; I190-A265 HydrophobicContact CD1-CB 4.26Å; I190-A268 HydrophobicContact CD1-CB 4.37Å; I190-L273 HydrophobicContact CD1-CB 4.39Å; I190-L273 HydrophobicContact CD1-CD2 4.03Å; I190-T274 PolarHBondContact N-O 3.36Å; I190-F275 HydrophobicContact CB-CD1 3.82Å; I190-F275 HydrophobicContact CB-CE1 3.96Å; I190-F275 HydrophobicContact CD1-CD1 4.28Å; I190-F275 HydrophobicContact CD1-CE1 3.61Å; I190-F275 HydrophobicContact CD1-CZ 3.94Å; I190-F275 HydrophobicContact CG1-CE1 4.4Å; I190-F275 HydrophobicContact CG2-CD1 3.97Å; I190-F275 HydrophobicContact CG2-CE1 3.98Å; I190-F275 WeakPolarHBondContact O-CA 3.27Å; I190-L276 PolarHBondContact O-N 3.34Å; I190-L276 VanDerWaalsContact O-N 3.08Å
191	I	98.9	Very high	97.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	111.1	178.7	-59.5	162.6	0	0	0	108.4	V189 L201 T204 V205 I220 I221 L222 V223 L276 A278	V189-I191 HydrophobicContact CG1-CD1 4.18Å; V189-I191 HydrophobicContact CG1-CG1 4.07Å; I191-L201 HydrophobicContact CG2-CD1 4.41Å; I191-T204 HydrophobicContact CD1-CG2 3.93Å; I191-V205 HydrophobicContact CD1-CG2 4.45Å; I191-I220 HydrophobicContact CD1-CG2 3.98Å; I191-I221 PolarHBondContact N-O 3.25Å; I191-L222 HydrophobicContact CB-CD2 3.79Å; I191-L222 HydrophobicContact CD1-CD2 3.93Å; I191-L222 HydrophobicContact CG1-CD2 4.39Å; I191-L222 HydrophobicContact CG2-CD2 4.28Å; I191-L222 CarbonylContact O-C 3.53Å; I191-L222 WeakPolarHBondContact O-CA 3.29Å; I191-V223 PolarHBondContact O-N 3.25Å; I191-L276 WeakPolarHBondContact CA-O 3.45Å; I191-L276 HydrophobicContact CG1-CB 4.1Å; I191-A278 HydrophobicContact CG2-CB 3.76Å
192	V	98.6	Very high	98.2	Very high	15 Å²	15	13.8 Å²	13.8	9%	0.091	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	138.5	173.4	177.5	0	0	0	0	109.3	V223 D225 L257 A260 R261	V192-V223 WeakPolarHBondContact CA-O 3.3Å; V192-V223 HydrophobicContact CG2-CB 4.19Å; V192-D225 HydrophobicContact CG1-CB 4.46Å; V192-L257 HydrophobicContact CB-CD1 3.85Å; V192-L257 HydrophobicContact CG1-CD1 3.96Å; V192-L257 HydrophobicContact CG2-CD1 4.2Å; V192-A260 HydrophobicContact CB-CB 4.32Å; V192-A260 HydrophobicContact CG1-CB 3.48Å; V192-A260 VanDerWaalsContact CG1-CB 3.48Å; V192-A260 HydrophobicContact CG2-CB 3.82Å; V192-R261 HydrophobicContact CG2-CB 4.44Å; V192-R261 HydrophobicContact CG2-CG 3.6Å
193	F	98.4	Very high	98.4	Very high	5 Å²	5	11.1 Å²	11.1	2%	0.022	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	151.8	175.1	70.2	-83.9	0	0	0	112.3	E196 L201 L222 V223 D224 D225 L232 L236 A278	F193-E196 HydrophobicContact CB-CB 4.09Å; F193-L201 HydrophobicContact CB-CD1 4.39Å; F193-L201 HydrophobicContact CD1-CD1 4.29Å; F193-L201 HydrophobicContact CD2-CD2 4.25Å; F193-L201 HydrophobicContact CE2-CD2 4.35Å; F193-L201 HydrophobicContact CG-CD1 4.33Å; F193-L201 HydrophobicContact CG-CD2 4.33Å; F193-L222 HydrophobicContact CD1-CB 4.48Å; F193-L222 HydrophobicContact CE1-CB 3.96Å; F193-V223 WeakPolarHBondContact CD1-O 3.42Å; F193-V223 PolarHBondContact N-O 2.8Å; F193-D224 HydrophobicContact CE1-CB 3.88Å; F193-D224 HydrophobicContact CE2-CB 3.89Å; F193-D224 HydrophobicContact CZ-CB 3.43Å; F193-D224 VanDerWaalsContact CZ-CB 3.43Å; F193-D225 PolarHBondContact O-N 2.87Å; F193-L232 HydrophobicContact CD2-CD1 4.12Å; F193-L232 HydrophobicContact CD2-CD2 4.42Å; F193-L232 HydrophobicContact CE2-CB 4.15Å; F193-L232 HydrophobicContact CE2-CD1 4.04Å; F193-L232 HydrophobicContact CE2-CD2 4.09Å; F193-L232 HydrophobicContact CE2-CG 4.32Å; F193-L236 HydrophobicContact CE1-CD2 4.41Å; F193-L236 HydrophobicContact CE2-CD2 4.26Å; F193-L236 HydrophobicContact CZ-CD2 3.71Å; F193-A278 HydrophobicContact CB-CB 3.74Å
194	H	97.2	Very high	98.5	Very high	21 Å²	21	9.2 Å²	9.2	10%	0.097	5%	0.047	C	C	.	.	S	Bend	trans	-145.9	111.1	172.2	176.7	73.5	0	0	0	108.8	E196 D225 A226 S227 R254 H423	H194-E196 PolarHBondContact O-N 3.08Å; H194-D225 HydrophobicContact CB-CB 4.34Å; H194-D225 PolarHBondContact ND1-O 3.15Å; H194-A226 PolarHBondContact CE1-O 3.18Å; H194-A226 PolarHBondContact ND1-O 3.08Å; H194-S227 WeakPolarHBondContact CA-OG 3.31Å; H194-R254 PolarHBondContact CE1-NE 2.78Å; H194-R254 PolarHBondContact NE2-NE 2.75Å; H194-H423 AromaticContact CD2-ND1 3.56Å; H194-H423 PolarHBondContact O-CE1 3.42Å; H194-H423 VanDerWaalsContact O-CE1 3.31Å
195	N	97.1	Very high	98.6	Very high	42 Å²	42	9 Å²	9	23%	0.225	5%	0.045	C	C	.	.	S	Bend	trans	52.9	37.2	-177.3	-61.7	-34.4	0	0	0	113.8	H148 S227 V228	H148-N195 PolarHBondContact ND1-O 3.06Å; N195-S227 PolarHBondContact N-OG 3.04Å; N195-S227 WeakPolarHBondContact OD1-CA 3.26Å; N195-V228 PolarHBondContact OD1-N 2.66Å
196	E	98.4	Very high	98.6	Very high	7 Å²	7	8.7 Å²	8.7	3%	0.033	4%	0.043	C	C	.	.			trans	-73.3	147.1	177.1	-170.6	57.4	-98.3	0	0	111	F150 F193 H194 T200 L201 Y231 A278 H279 R418	F150-E196 WeakPolarHBondContact CZ-OE1 3.49Å; F193-E196 HydrophobicContact CB-CB 4.09Å; H194-E196 PolarHBondContact O-N 3.08Å; E196-T200 PolarHBondContact OE1-OG1 3.08Å; E196-L201 HydrophobicContact CB-CB 4.43Å; E196-L201 HydrophobicContact CG-CB 4.02Å; E196-Y231 PolarHBondContact O-OH 2.84Å; E196-A278 HydrophobicContact CB-CB 4.25Å; E196-A278 HydrophobicContact CG-CB 3.76Å; E196-H279 IonicContact OE2-CE1 3.16Å; E196-H279 IonicContact OE2-CG 3.83Å; E196-H279 IonicContact OE2-ND1 2.71Å; E196-H279 PolarHBondContact OE2-ND1 3.38Å; E196-R418 IonicContact OE1-NH2 2.74Å; E196-R418 IonicContact OE2-NH2 2.77Å; E196-R418 PolarHBondContact OE2-NH2 2.81Å
197	A	98.4	Very high	98.6	Very high	3 Å²	3	8.1 Å²	8.1	3%	0.025	4%	0.039	C	C	.	.			trans	-64.7	140.9	175.9	0	0	0	0	0	110.6	F150 S199 T200 L201	F150-A197 HydrophobicContact CE2-CB 4.31Å; F150-A197 HydrophobicContact CZ-CB 3.93Å; A197-S199 VanDerWaalsContact C-N 3.27Å; A197-S199 PolarHBondContact O-N 2.83Å; A197-T200 PolarHBondContact O-N 2.77Å; A197-T200 PolarHBondContact O-OG1 3.2Å; A197-L201 WeakPolarHBondContact O-CB 3.12Å; A197-L201 PolarHBondContact O-N 2.96Å
198	W	98.8	Very high	98.6	Very high	52 Å²	52	8.1 Å²	8.1	20%	0.197	4%	0.039	C	C	.	.	H	α-helix	trans	-54.1	-44.6	-178.9	176.1	-90.8	0	0	0	112.3	L202 Y231 K235 L236 Y239	W198-L202 HydrophobicContact CD2-CD1 3.9Å; W198-L202 HydrophobicContact CD2-CG 4.48Å; W198-L202 HydrophobicContact CG-CD1 4.4Å; W198-L202 HydrophobicContact CH2-CD1 4.06Å; W198-L202 HydrophobicContact CZ2-CD1 3.36Å; W198-L202 WeakPolarHBondContact O-CB 3.31Å; W198-L202 PolarHBondContact O-N 2.92Å; W198-Y231 HydrophobicContact CB-CD2 4.09Å; W198-Y231 HydrophobicContact CB-CE2 4.12Å; W198-Y231 HydrophobicContact CE3-CD2 4.02Å; W198-Y231 VanDerWaalsContact CZ3-O 3.3Å; W198-Y231 WeakPolarHBondContact CZ3-O 3.43Å; W198-K235 HydrophobicContact CH2-CD 4.1Å; W198-K235 HydrophobicContact CH2-CG 3.8Å; W198-K235 HydrophobicContact CZ3-CB 4.5Å; W198-K235 HydrophobicContact CZ3-CD 4.07Å; W198-K235 HydrophobicContact CZ3-CG 3.96Å; W198-L236 HydrophobicContact CZ3-CB 4.1Å; W198-L236 HydrophobicContact CZ3-CD1 4.05Å; W198-Y239 HydrophobicContact CH2-CD2 4.35Å; W198-Y239 HydrophobicContact CH2-CG 4.01Å; W198-Y239 AromaticContact CZ2-CD2 3.98Å; W198-Y239 HydrophobicContact CZ2-CD2 3.98Å; W198-Y239 HydrophobicContact CZ2-CE2 4.47Å; W198-Y239 HydrophobicContact CZ2-CG 4.01Å
199	S	98.8	Very high	98.6	Very high	4 Å²	4	8.1 Å²	8.1	3%	0.028	4%	0.04	C	C	.	.	H	α-helix	trans	-66.8	-40.9	-177.1	56	0	0	0	0	113.1	S155 D156 L160 A197 R203	S155-S199 WeakPolarHBondContact CB-OG 3.35Å; S155-S199 WeakPolarHBondContact OG-CB 3.24Å; S155-S199 PolarHBondContact OG-OG 2.78Å; D156-S199 WeakPolarHBondContact OD1-CB 3.43Å; D156-S199 PolarHBondContact OD1-OG 2.83Å; L160-S199 VanDerWaalsContact CD2-O 3.28Å; L160-S199 WeakPolarHBondContact CD2-O 3.46Å; A197-S199 VanDerWaalsContact C-N 3.27Å; A197-S199 PolarHBondContact O-N 2.83Å; S199-R203 WeakPolarHBondContact O-CB 3.37Å; S199-R203 PolarHBondContact O-N 2.95Å
200	T	98.6	Very high	98.6	Very high	3 Å²	3	9.4 Å²	9.4	2%	0.018	5%	0.045	C	C	.	.	H	α-helix	trans	-72.5	-44.2	178.8	46.3	0	0	0	0	112	F150 S155 E196 A197 R203 T204 A278 H279 F314	F150-T200 HydrophobicContact CE2-CG2 3.76Å; F150-T200 HydrophobicContact CZ-CG2 3.68Å; S155-T200 WeakPolarHBondContact OG-CG2 3.16Å; E196-T200 PolarHBondContact OE1-OG1 3.08Å; A197-T200 PolarHBondContact O-N 2.77Å; A197-T200 PolarHBondContact O-OG1 3.2Å; T200-R203 PolarHBondContact O-N 3.3Å; T200-T204 PolarHBondContact O-N 3.45Å; T200-T204 PolarHBondContact O-OG1 2.05Å; T200-A278 CarbonylContact C-O 3.52Å; T200-A278 VanDerWaalsContact C-O 3.25Å; T200-H279 HydrophobicContact CG2-CB 4.49Å; T200-F314 HydrophobicContact CG2-CE1 3.91Å; T200-F314 HydrophobicContact CG2-CZ 4.06Å
201	L	98.9	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-58.1	-52.4	177	174.5	61.5	0	0	0	111	I191 F193 E196 A197 T204 V205 L222 L232 L236 A278	I191-L201 HydrophobicContact CG2-CD1 4.41Å; F193-L201 HydrophobicContact CB-CD1 4.39Å; F193-L201 HydrophobicContact CD1-CD1 4.29Å; F193-L201 HydrophobicContact CD2-CD2 4.25Å; F193-L201 HydrophobicContact CE2-CD2 4.35Å; F193-L201 HydrophobicContact CG-CD1 4.33Å; F193-L201 HydrophobicContact CG-CD2 4.33Å; E196-L201 HydrophobicContact CB-CB 4.43Å; E196-L201 HydrophobicContact CG-CB 4.02Å; A197-L201 WeakPolarHBondContact O-CB 3.12Å; A197-L201 PolarHBondContact O-N 2.96Å; L201-T204 WeakPolarHBondContact O-CB 3.46Å; L201-T204 PolarHBondContact O-N 2.92Å; L201-V205 PolarHBondContact O-N 3.3Å; L201-V205 VanDerWaalsContact O-N 3.13Å; L201-L222 HydrophobicContact CD1-CD2 4.48Å; L201-L232 HydrophobicContact CD2-CD2 3.77Å; L201-L236 HydrophobicContact CD2-CD1 4.19Å; L201-L236 HydrophobicContact CD2-CD2 3.93Å; L201-A278 VanDerWaalsContact CA-O 3.28Å; L201-A278 WeakPolarHBondContact CA-O 3.03Å; L201-A278 HydrophobicContact CD1-CB 3.89Å; L201-A278 PolarHBondContact N-O 3.19Å
202	L	98.8	Very high	98.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-71.9	-33	-178.3	-71.2	-173.5	0	0	0	113.3	L160 W198 T204 V205 H206 L236 Y239	L160-L202 HydrophobicContact CD1-CB 4.05Å; L160-L202 HydrophobicContact CD1-CD1 4.23Å; L160-L202 HydrophobicContact CD2-CB 4.34Å; W198-L202 HydrophobicContact CD2-CD1 3.9Å; W198-L202 HydrophobicContact CD2-CG 4.48Å; W198-L202 HydrophobicContact CG-CD1 4.4Å; W198-L202 HydrophobicContact CH2-CD1 4.06Å; W198-L202 HydrophobicContact CZ2-CD1 3.36Å; W198-L202 WeakPolarHBondContact O-CB 3.31Å; W198-L202 PolarHBondContact O-N 2.92Å; L202-T204 PolarHBondContact O-N 2.84Å; L202-V205 PolarHBondContact O-N 3.38Å; L202-H206 WeakPolarHBondContact O-CB 3.37Å; L202-H206 PolarHBondContact O-CD2 3.37Å; L202-H206 VanDerWaalsContact O-CD2 3.25Å; L202-H206 PolarHBondContact O-N 3.31Å; L202-L236 HydrophobicContact CD2-CD1 4.01Å; L202-Y239 HydrophobicContact CD1-CD1 3.7Å; L202-Y239 HydrophobicContact CD1-CE1 3.4Å; L202-Y239 VanDerWaalsContact CD1-CE1 3.4Å; L202-Y239 HydrophobicContact CD1-CE2 4.27Å; L202-Y239 HydrophobicContact CD1-CG 4.26Å; L202-Y239 HydrophobicContact CD2-CD1 3.66Å; L202-Y239 HydrophobicContact CD2-CE1 3.61Å; L202-Y239 HydrophobicContact CG-CD1 4.36Å; L202-Y239 HydrophobicContact CG-CE1 4.1Å
203	R	98.9	Very high	98.6	Very high	6 Å²	6	9.4 Å²	9.4	2%	0.023	5%	0.045	C	C	.	.	H	α-helix	trans	-60.4	-37.5	171.8	-171.1	178.7	-56.6	107.8	7.2	110.8	S155 I158 S159 L160 S199 T200 S207 E281	S155-R203 PolarHBondContact O-NH2 2.88Å; S155-R203 PolarHBondContact OG-NH1 3.01Å; S155-R203 PolarHBondContact OG-NH2 3.43Å; I158-R203 PolarHBondContact O-NH2 2.98Å; S159-R203 PolarHBondContact O-NE 3.21Å; S159-R203 VanDerWaalsContact O-NE 3.15Å; L160-R203 HydrophobicContact CD2-CB 4.29Å; S199-R203 WeakPolarHBondContact O-CB 3.37Å; S199-R203 PolarHBondContact O-N 2.95Å; T200-R203 PolarHBondContact O-N 3.3Å; R203-S207 WeakPolarHBondContact O-CB 3.3Å; R203-S207 PolarHBondContact O-N 3.3Å; R203-E281 HydrophobicContact CG-CG 4.12Å
204	T	98.9	Very high	98.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.3	-51.6	173.5	-53.2	0	0	0	0	111.4	I191 T200 L201 L202 H206 S207 V208 A278 H279 C280	I191-T204 HydrophobicContact CD1-CG2 3.93Å; T200-T204 PolarHBondContact O-N 3.45Å; T200-T204 PolarHBondContact O-OG1 2.05Å; L201-T204 WeakPolarHBondContact O-CB 3.46Å; L201-T204 PolarHBondContact O-N 2.92Å; L202-T204 PolarHBondContact O-N 2.84Å; T204-H206 PolarHBondContact O-N 3.49Å; T204-S207 PolarHBondContact O-N 3.43Å; T204-V208 WeakPolarHBondContact O-CG2 3.38Å; T204-V208 PolarHBondContact O-N 2.77Å; T204-A278 PolarHBondContact OG1-O 3.3Å; T204-A278 VanDerWaalsContact OG1-O 3.07Å; T204-H279 PolarHBondContact OG1-N 2.76Å; T204-C280 VanDerWaalsContact CA-O 3.31Å; T204-C280 WeakPolarHBondContact CA-O 3.05Å; T204-C280 HydrophobicContact CG2-CB 4.05Å; T204-C280 PolarHBondContact OG1-N 2.9Å; T204-C280 PolarHBondContact OG1-O 2.72Å
205	V	98.9	Very high	98.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.4	-49	179	175.7	0	0	0	0	111.6	I191 L201 L202 S207 V208 L209 I220 L222 V246	I191-V205 HydrophobicContact CD1-CG2 4.45Å; L201-V205 PolarHBondContact O-N 3.3Å; L201-V205 VanDerWaalsContact O-N 3.13Å; L202-V205 PolarHBondContact O-N 3.38Å; V205-S207 VanDerWaalsContact C-N 3.35Å; V205-S207 PolarHBondContact O-N 2.95Å; V205-V208 PolarHBondContact O-N 3.42Å; V205-L209 HydrophobicContact CG1-CD1 4.04Å; V205-L209 WeakPolarHBondContact O-CG 3.38Å; V205-L209 PolarHBondContact O-N 2.85Å; V205-I220 HydrophobicContact CG1-CD1 4.34Å; V205-L222 HydrophobicContact CG2-CD1 4.11Å; V205-L222 HydrophobicContact CG2-CD2 3.81Å; V205-V246 HydrophobicContact CG1-CG2 4.23Å
206	H	98.9	Very high	98.7	Very high	5 Å²	5	12.6 Å²	12.6	2%	0.023	7%	0.07	C	C	.	.	H	α-helix	trans	-61.7	-43	176.9	-87	-71.8	0	0	0	112.1	L160 H161 L202 T204 V208 L209 Y210 Y239 F243	L160-H206 WeakPolarHBondContact O-CB 3.23Å; H161-H206 AromaticContact CE1-CE1 3.48Å; H161-H206 PolarHBondContact CE1-CE1 3.48Å; H161-H206 VanDerWaalsContact CE1-CE1 3.48Å; H161-H206 AromaticContact CE1-ND1 3.68Å; H161-H206 AromaticContact CE1-NE2 3.69Å; H161-H206 AromaticContact ND1-CE1 3.78Å; H161-H206 AromaticContact ND1-CG 3.78Å; H161-H206 AromaticContact ND1-ND1 3.5Å; H161-H206 PolarHBondContact ND1-ND1 2.89Å; L202-H206 WeakPolarHBondContact O-CB 3.37Å; L202-H206 PolarHBondContact O-CD2 3.37Å; L202-H206 VanDerWaalsContact O-CD2 3.25Å; L202-H206 PolarHBondContact O-N 3.31Å; T204-H206 PolarHBondContact O-N 3.49Å; H206-V208 VanDerWaalsContact C-N 3.32Å; H206-V208 PolarHBondContact O-N 2.78Å; H206-L209 PolarHBondContact O-N 3.47Å; H206-Y210 HydrophobicContact CB-CD2 4.12Å; H206-Y210 HydrophobicContact CB-CE2 3.7Å; H206-Y210 AromaticContact ND1-CE2 3.71Å; H206-Y210 AromaticContact ND1-CZ 3.66Å; H206-Y210 PolarHBondContact ND1-OH 3.18Å; H206-Y210 WeakPolarHBondContact O-CB 3.11Å; H206-Y210 WeakPolarHBondContact O-CD2 3.26Å; H206-Y210 VanDerWaalsContact O-CG 3.27Å; H206-Y210 PolarHBondContact O-N 2.97Å; H206-Y239 AromaticContact NE2-CZ 3.94Å; H206-Y239 PolarHBondContact NE2-OH 3.17Å; H206-F243 AromaticContact CE1-CZ 3.46Å; H206-F243 VanDerWaalsContact CE1-CZ 3.46Å; H206-F243 WeakPolarHBondContact CE1-CZ 3.2Å; H206-F243 AromaticContact NE2-CZ 3.75Å
207	S	98.9	Very high	98.7	Very high	6 Å²	6	12.7 Å²	12.7	4%	0.042	7%	0.07	C	C	.	.	H	α-helix	trans	-59.2	-44.2	178.8	-167.6	0	0	0	0	111.4	R203 T204 V205 Y210 S211 C282	R203-S207 WeakPolarHBondContact O-CB 3.3Å; R203-S207 PolarHBondContact O-N 3.3Å; T204-S207 PolarHBondContact O-N 3.43Å; V205-S207 VanDerWaalsContact C-N 3.35Å; V205-S207 PolarHBondContact O-N 2.95Å; S207-Y210 PolarHBondContact O-N 3.12Å; S207-S211 WeakPolarHBondContact O-CB 3.2Å; S207-S211 PolarHBondContact O-N 3.4Å; S207-S211 VanDerWaalsContact O-N 3.11Å; S207-S211 PolarHBondContact O-OG 3.12Å; S207-C282 PolarHBondContact OG-N 2.85Å; S207-C282 PolarHBondContact OG-O 2.97Å
208	V	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.3	-48.8	173.5	172.9	0	0	0	0	111	V189 T204 V205 H206 Y210 S211 S212 L217 I220 L276 W286	V189-V208 HydrophobicContact CB-CG1 4.47Å; V189-V208 HydrophobicContact CG1-CG1 4.34Å; V189-V208 HydrophobicContact CG1-CG2 4.36Å; V189-V208 HydrophobicContact CG2-CG1 4.07Å; T204-V208 WeakPolarHBondContact O-CG2 3.38Å; T204-V208 PolarHBondContact O-N 2.77Å; V205-V208 PolarHBondContact O-N 3.42Å; H206-V208 VanDerWaalsContact C-N 3.32Å; H206-V208 PolarHBondContact O-N 2.78Å; V208-Y210 VanDerWaalsContact C-N 3.31Å; V208-Y210 PolarHBondContact O-N 2.84Å; V208-S211 PolarHBondContact O-N 3.44Å; V208-S212 WeakPolarHBondContact O-CB 3.13Å; V208-S212 PolarHBondContact O-N 3.27Å; V208-S212 PolarHBondContact O-OG 3.36Å; V208-L217 HydrophobicContact CG1-CD1 4.29Å; V208-L217 HydrophobicContact CG1-CD2 3.82Å; V208-I220 HydrophobicContact CB-CD1 4.09Å; V208-I220 HydrophobicContact CG1-CD1 3.64Å; V208-I220 HydrophobicContact CG1-CG1 4.12Å; V208-L276 HydrophobicContact CG2-CD1 3.6Å; V208-W286 HydrophobicContact CG2-CZ2 4.49Å
209	L	98.8	Very high	98.7	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-62.6	-34.8	-179.4	-69	168.1	0	0	0	113.4	V110 L111 V205 H206 L217 I220 F243 I245	V110-L209 HydrophobicContact CB-CD2 4.25Å; V110-L209 HydrophobicContact CG1-CD2 3.93Å; V110-L209 PolarHBondContact N-O 2.86Å; L111-L209 HydrophobicContact CB-CB 4.49Å; L111-L209 HydrophobicContact CD1-CB 3.99Å; L111-L209 HydrophobicContact CD1-CD1 3.93Å; L111-L209 HydrophobicContact CD1-CG 4.45Å; L111-L209 HydrophobicContact CG-CB 4.28Å; L111-L209 PolarHBondContact N-O 2.87Å; L111-L209 VanDerWaalsContact N-O 3.14Å; V205-L209 HydrophobicContact CG1-CD1 4.04Å; V205-L209 WeakPolarHBondContact O-CG 3.38Å; V205-L209 PolarHBondContact O-N 2.85Å; H206-L209 PolarHBondContact O-N 3.47Å; L209-L217 HydrophobicContact CD2-CD2 4.25Å; L209-I220 HydrophobicContact CD2-CD1 3.81Å; L209-I220 HydrophobicContact CG-CD1 3.86Å; L209-F243 HydrophobicContact CD1-CD1 3.75Å; L209-F243 HydrophobicContact CD1-CD2 4.37Å; L209-F243 HydrophobicContact CD1-CE1 4.01Å; L209-F243 HydrophobicContact CD1-CG 3.95Å; L209-F243 HydrophobicContact CD1-CZ 4.45Å; L209-I245 HydrophobicContact CD2-CD1 3.96Å; L209-I245 HydrophobicContact CD2-CG1 4.27Å
210	Y	98.7	Very high	98.7	Very high	27 Å²	27	15.5 Å²	15.5	11%	0.106	8%	0.083	C	C	.	.	H	α-helix	trans	-81.7	-18.8	-179.9	-65.7	-43.6	0	0	0	114.5	P109 L111 D112 R113 H161 H206 S207 V208	P109-Y210 VanDerWaalsContact CB-O 3.3Å; P109-Y210 WeakPolarHBondContact CB-O 3.13Å; L111-Y210 HydrophobicContact CB-CD1 3.77Å; L111-Y210 HydrophobicContact CB-CE1 3.7Å; L111-Y210 HydrophobicContact CD1-CE1 4.38Å; L111-Y210 WeakPolarHBondContact O-CD1 3.35Å; D112-Y210 WeakPolarHBondContact O-CE1 3.2Å; R113-Y210 HydrophobicContact CB-CD1 3.98Å; R113-Y210 HydrophobicContact CB-CD2 4.48Å; R113-Y210 HydrophobicContact CB-CE1 4.45Å; R113-Y210 HydrophobicContact CB-CG 4.03Å; R113-Y210 HydrophobicContact CG-CD2 4.37Å; R113-Y210 HydrophobicContact CG-CG 4.41Å; H161-Y210 HydrophobicContact CB-CE2 3.88Å; H161-Y210 AromaticContact ND1-CE2 3.61Å; H161-Y210 AromaticContact ND1-CZ 3.69Å; H161-Y210 PolarHBondContact ND1-OH 3.1Å; H206-Y210 HydrophobicContact CB-CD2 4.12Å; H206-Y210 HydrophobicContact CB-CE2 3.7Å; H206-Y210 AromaticContact ND1-CE2 3.71Å; H206-Y210 AromaticContact ND1-CZ 3.66Å; H206-Y210 PolarHBondContact ND1-OH 3.18Å; H206-Y210 WeakPolarHBondContact O-CB 3.11Å; H206-Y210 WeakPolarHBondContact O-CD2 3.26Å; H206-Y210 VanDerWaalsContact O-CG 3.27Å; H206-Y210 PolarHBondContact O-N 2.97Å; S207-Y210 PolarHBondContact O-N 3.12Å; V208-Y210 VanDerWaalsContact C-N 3.31Å; V208-Y210 PolarHBondContact O-N 2.84Å
211	S	98.2	Very high	98.7	Very high	13 Å²	13	15.4 Å²	15.4	9%	0.091	8%	0.082	C	C	.	.	H	α-helix	trans	-118.8	-6.9	-171.4	63.4	0	0	0	0	114.1	S207 V208 C282 W286	S207-S211 WeakPolarHBondContact O-CB 3.2Å; S207-S211 PolarHBondContact O-N 3.4Å; S207-S211 VanDerWaalsContact O-N 3.11Å; S207-S211 PolarHBondContact O-OG 3.12Å; V208-S211 PolarHBondContact O-N 3.44Å; S211-C282 WeakPolarHBondContact OG-CB 3.3Å; S211-W286 PolarHBondContact OG-NE1 3.42Å
212	S	98.8	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-104.1	125.1	-179.1	-51.8	0	0	0	0	110.8	P109 V110 V208 A214	P109-S212 VanDerWaalsContact CA-O 3.26Å; P109-S212 WeakPolarHBondContact CA-O 3.3Å; V110-S212 PolarHBondContact N-O 3.12Å; V208-S212 WeakPolarHBondContact O-CB 3.13Å; V208-S212 PolarHBondContact O-N 3.27Å; V208-S212 PolarHBondContact O-OG 3.36Å; S212-A214 PolarHBondContact O-N 3.17Å
213	P	98.7	Very high	98.7	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.013	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-55.3	135.8	175.8	-29.6	37.1	0	0	0	113.3	L107 K108 I215 L216 L217 E288	L107-P213 HydrophobicContact CB-CB 4.38Å; L107-P213 HydrophobicContact CB-CG 4.2Å; L107-P213 HydrophobicContact CD2-CB 4.08Å; L107-P213 HydrophobicContact CD2-CG 4.08Å; K108-P213 WeakPolarHBondContact O-CA 3.33Å; P213-I215 HydrophobicContact CB-CG1 4.48Å; P213-I215 PolarHBondContact O-N 2.99Å; P213-L216 HydrophobicContact CB-CB 4.39Å; P213-L216 HydrophobicContact CB-CD1 3.95Å; P213-L216 HydrophobicContact CB-CG 3.98Å; P213-L216 HydrophobicContact CG-CD1 3.94Å; P213-L216 PolarHBondContact O-N 3.24Å; P213-L217 PolarHBondContact O-N 2.03Å; P213-E288 HydrophobicContact CG-CG 4Å; P213-E288 WeakPolarHBondContact CG-OE1 3.11Å
214	A	98.3	Very high	98.7	Very high	53 Å²	53	15.3 Å²	15.3	44%	0.438	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-31.4	-174.8	0	0	0	0	0	113.8	K108 V110 S212 L216	K108-A214 PolarHBondContact O-N 2.77Å; V110-A214 HydrophobicContact CG2-CB 4.02Å; S212-A214 PolarHBondContact O-N 3.17Å; A214-L216 PolarHBondContact O-N 2.85Å
215	I	98	Very high	98.7	Very high	81 Å²	81	15.6 Å²	15.6	42%	0.415	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-17	177.5	65.6	171.5	0	0	0	113.2	Y102 E106 L107 P213	Y102-I215 HydrophobicContact CD1-CD1 3.79Å; Y102-I215 HydrophobicContact CE1-CD1 3.63Å; E106-I215 HydrophobicContact CB-CD1 4.41Å; E106-I215 WeakPolarHBondContact O-CD1 3.09Å; L107-I215 HydrophobicContact CD2-CD1 4.21Å; P213-I215 HydrophobicContact CB-CG1 4.48Å; P213-I215 PolarHBondContact O-N 2.99Å
216	L	98.6	Very high	98.6	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.01	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-36	-176.4	-54.1	-178.4	0	0	0	112	L107 L184 T186 T187 P213 A214 K218 L287 E288 L291	L107-L216 HydrophobicContact CD2-CD1 4.42Å; L184-L216 HydrophobicContact CB-CD1 4.46Å; L184-L216 HydrophobicContact CB-CD2 3.51Å; L184-L216 HydrophobicContact CD1-CD1 3.86Å; L184-L216 HydrophobicContact CD1-CD2 4.17Å; L184-L216 HydrophobicContact CG-CD2 4.5Å; T186-L216 CarbonylContact C-O 3.6Å; T186-L216 WeakPolarHBondContact CA-O 3.5Å; T187-L216 PolarHBondContact N-O 3.42Å; P213-L216 HydrophobicContact CB-CB 4.39Å; P213-L216 HydrophobicContact CB-CD1 3.95Å; P213-L216 HydrophobicContact CB-CG 3.98Å; P213-L216 HydrophobicContact CG-CD1 3.94Å; P213-L216 PolarHBondContact O-N 3.24Å; A214-L216 PolarHBondContact O-N 2.85Å; L216-K218 PolarHBondContact O-N 2.86Å; L216-L287 HydrophobicContact CB-CD2 4.3Å; L216-E288 HydrophobicContact CD1-CG 4.08Å; L216-L291 HydrophobicContact CB-CD1 4.02Å; L216-L291 HydrophobicContact CD1-CD1 4.08Å; L216-L291 HydrophobicContact CG-CD1 4.48Å
217	L	98.8	Very high	98.5	Very high	8 Å²	8	16.8 Å²	16.8	4%	0.042	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	98.6	-177.5	-175.1	59.1	0	0	0	111.3	V110 T187 V189 V208 L209 P213 I220 I245	V110-L217 HydrophobicContact CG2-CB 4.09Å; V110-L217 HydrophobicContact CG2-CD2 3.94Å; V110-L217 HydrophobicContact CG2-CG 4.45Å; T187-L217 HydrophobicContact CG2-CD1 4.33Å; V189-L217 HydrophobicContact CB-CD1 4.22Å; V189-L217 HydrophobicContact CG2-CD1 3.49Å; V189-L217 VanDerWaalsContact CG2-CD1 3.49Å; V208-L217 HydrophobicContact CG1-CD1 4.29Å; V208-L217 HydrophobicContact CG1-CD2 3.82Å; L209-L217 HydrophobicContact CD2-CD2 4.25Å; P213-L217 PolarHBondContact O-N 2.03Å; L217-I220 HydrophobicContact CD1-CG1 4.16Å; L217-I220 HydrophobicContact CD2-CD1 4.15Å; L217-I220 HydrophobicContact CD2-CG1 4.13Å; L217-I245 HydrophobicContact CD2-CD1 3.95Å; L217-I245 HydrophobicContact CG-CD1 3.99Å
218	K	98.7	Very high	98.5	Very high	114 Å²	114	21.9 Å²	21.9	50%	0.496	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	-46.2	-179.2	-175.1	66.5	175.9	-174.9	0	112	T187 L216 A270	T187-K218 WeakPolarHBondContact O-CB 3.1Å; T187-K218 PolarHBondContact O-N 3.16Å; L216-K218 PolarHBondContact O-N 2.86Å; K218-A270 HydrophobicContact CB-CB 3.79Å; K218-A270 HydrophobicContact CG-CB 4.13Å
219	E	98.7	Very high	98.4	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.019	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	155.9	-177.5	60	-165	151.2	0	0	111.6	S188 V189 I221 I245 K247 T269	S188-E219 WeakPolarHBondContact OG-CG 3.41Å; S188-E219 PolarHBondContact OG-OE1 2.76Å; V189-E219 PolarHBondContact N-O 2.83Å; E219-I221 HydrophobicContact CG-CD1 4.03Å; E219-I221 HydrophobicContact CG-CG1 4.08Å; E219-I245 CarbonylContact C-O 3.55Å; E219-I245 VanDerWaalsContact CA-O 3.28Å; E219-I245 WeakPolarHBondContact CA-O 3.3Å; E219-K247 IonicContact OE2-NZ 3.09Å; E219-K247 PolarHBondContact OE2-NZ 3.04Å; E219-T269 PolarHBondContact OE1-N 2.89Å; E219-T269 PolarHBondContact OE1-OG1 2.77Å
220	I	98.9	Very high	98.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.8	166.7	-55.8	178.4	0	0	0	107.3	V189 I191 V205 V208 L209 L217 L222 I245 V246 K247	V189-I220 HydrophobicContact CB-CG1 4.38Å; V189-I220 CarbonylContact O-C 3.5Å; V189-I220 WeakPolarHBondContact O-CA 3.49Å; I191-I220 HydrophobicContact CD1-CG2 3.98Å; V205-I220 HydrophobicContact CG1-CD1 4.34Å; V208-I220 HydrophobicContact CB-CD1 4.09Å; V208-I220 HydrophobicContact CG1-CD1 3.64Å; V208-I220 HydrophobicContact CG1-CG1 4.12Å; L209-I220 HydrophobicContact CD2-CD1 3.81Å; L209-I220 HydrophobicContact CG-CD1 3.86Å; L217-I220 HydrophobicContact CD1-CG1 4.16Å; L217-I220 HydrophobicContact CD2-CD1 4.15Å; L217-I220 HydrophobicContact CD2-CG1 4.13Å; I220-L222 HydrophobicContact CG2-CD2 4Å; I220-I245 PolarHBondContact N-O 3.01Å; I220-V246 HydrophobicContact CB-CG2 4.13Å; I220-V246 HydrophobicContact CD1-CG2 4.16Å; I220-V246 HydrophobicContact CG1-CG2 4.5Å; I220-V246 CarbonylContact O-C 3.56Å; I220-V246 WeakPolarHBondContact O-CA 3.27Å; I220-K247 PolarHBondContact O-N 2.97Å
221	I	98.9	Very high	98.3	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	107.3	-179.1	-60.3	159.4	0	0	0	107.7	V189 I190 I191 E219 V223 V249 V267 A268	V189-I221 PolarHBondContact O-N 3.25Å; I190-I221 WeakPolarHBondContact CA-O 3.21Å; I190-I221 HydrophobicContact CG1-CB 4.33Å; I190-I221 HydrophobicContact CG1-CD1 4.24Å; I191-I221 PolarHBondContact N-O 3.25Å; E219-I221 HydrophobicContact CG-CD1 4.03Å; E219-I221 HydrophobicContact CG-CG1 4.08Å; I221-V223 HydrophobicContact CG2-CG2 3.91Å; I221-V249 HydrophobicContact CG2-CG2 3.82Å; I221-V267 HydrophobicContact CD1-CG2 4.09Å; I221-V267 HydrophobicContact CG2-CG2 4Å; I221-A268 HydrophobicContact CD1-CB 3.75Å
222	L	98.9	Very high	98.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117.4	172.7	-57.6	-175	0	0	0	108.6	I191 F193 L201 V205 I220 V240 V246 K247 I248 V249	I191-L222 HydrophobicContact CB-CD2 3.79Å; I191-L222 HydrophobicContact CD1-CD2 3.93Å; I191-L222 HydrophobicContact CG1-CD2 4.39Å; I191-L222 HydrophobicContact CG2-CD2 4.28Å; I191-L222 CarbonylContact O-C 3.53Å; I191-L222 WeakPolarHBondContact O-CA 3.29Å; F193-L222 HydrophobicContact CD1-CB 4.48Å; F193-L222 HydrophobicContact CE1-CB 3.96Å; L201-L222 HydrophobicContact CD1-CD2 4.48Å; V205-L222 HydrophobicContact CG2-CD1 4.11Å; V205-L222 HydrophobicContact CG2-CD2 3.81Å; I220-L222 HydrophobicContact CG2-CD2 4Å; L222-V240 HydrophobicContact CD1-CG1 4.14Å; L222-V246 HydrophobicContact CD1-CG1 4.01Å; L222-V246 HydrophobicContact CG-CG1 4.17Å; L222-K247 PolarHBondContact N-O 3.22Å; L222-I248 HydrophobicContact CB-CG1 4.02Å; L222-I248 HydrophobicContact CD1-CG1 4.13Å; L222-I248 CarbonylContact O-C 3.49Å; L222-I248 VanDerWaalsContact O-CA 3.3Å; L222-I248 WeakPolarHBondContact O-CA 3.49Å; L222-V249 PolarHBondContact O-N 3.47Å
223	V	98.8	Very high	98.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111.2	178.1	-169.1	0	0	0	0	109.5	I190 I191 V192 F193 I221 D225 V249 A260 L263	I190-V223 HydrophobicContact CG2-CG2 4.18Å; I191-V223 PolarHBondContact O-N 3.25Å; V192-V223 WeakPolarHBondContact CA-O 3.3Å; V192-V223 HydrophobicContact CG2-CB 4.19Å; F193-V223 WeakPolarHBondContact CD1-O 3.42Å; F193-V223 PolarHBondContact N-O 2.8Å; I221-V223 HydrophobicContact CG2-CG2 3.91Å; V223-D225 PolarHBondContact O-N 3.35Å; V223-V249 CarbonylContact C-O 3.55Å; V223-V249 WeakPolarHBondContact CA-O 3.45Å; V223-V249 HydrophobicContact CG2-CB 4.45Å; V223-A260 HydrophobicContact CB-CB 4.49Å; V223-A260 HydrophobicContact CG1-CB 3.85Å; V223-L263 HydrophobicContact CG1-CD2 4.08Å; V223-L263 HydrophobicContact CG1-CG 4.47Å
224	D	98.7	Very high	98.3	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	111.9	174.3	-178.7	16.8	0	0	0	110.3	F193 A226 S227 V249 R250 Q251	F193-D224 HydrophobicContact CE1-CB 3.88Å; F193-D224 HydrophobicContact CE2-CB 3.89Å; F193-D224 HydrophobicContact CZ-CB 3.43Å; F193-D224 VanDerWaalsContact CZ-CB 3.43Å; D224-A226 VanDerWaalsContact C-N 3.26Å; D224-A226 PolarHBondContact O-N 3.26Å; D224-A226 VanDerWaalsContact O-N 3.12Å; D224-S227 WeakPolarHBondContact OD1-CB 3.2Å; D224-S227 PolarHBondContact OD1-N 3.22Å; D224-S227 PolarHBondContact OD1-OG 2.76Å; D224-V249 PolarHBondContact N-O 3.47Å; D224-R250 VanDerWaalsContact CG-NH1 3.34Å; D224-R250 WeakPolarHBondContact OD2-CD 3.41Å; D224-R250 IonicContact OD2-CZ 3.34Å; D224-R250 IonicContact OD2-NE 3.77Å; D224-R250 IonicContact OD2-NH1 3.54Å; D224-R250 PolarHBondContact OD2-NH1 3.12Å; D224-Q251 VanDerWaalsContact O-CB 3.29Å; D224-Q251 WeakPolarHBondContact O-CB 3.09Å; D224-Q251 PolarHBondContact O-N 3.26Å
225	D	97.9	Very high	98.3	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.032	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	65.4	173.2	-178.4	30.1	0	0	0	111	V192 F193 H194 V223 S227 Q251 R254 K255 G256 A260	V192-D225 HydrophobicContact CG1-CB 4.46Å; F193-D225 PolarHBondContact O-N 2.87Å; H194-D225 HydrophobicContact CB-CB 4.34Å; H194-D225 PolarHBondContact ND1-O 3.15Å; V223-D225 PolarHBondContact O-N 3.35Å; D225-S227 PolarHBondContact O-N 3.4Å; D225-Q251 PolarHBondContact OD1-NE2 2.79Å; D225-R254 WeakPolarHBondContact OD1-CA 3.25Å; D225-K255 PolarHBondContact OD1-N 2.85Å; D225-G256 PolarHBondContact OD1-N 2.9Å; D225-G256 WeakPolarHBondContact OD2-CA 3.31Å; D225-G256 PolarHBondContact OD2-N 2.89Å; D225-A260 HydrophobicContact CB-CB 4.2Å
226	A	97.4	Very high	98.3	Very high	23 Å²	23	40.7 Å²	40.7	19%	0.19	20%	0.202	C	C	.	.	S	Bend	trans	52.9	53.9	177.8	0	0	0	0	0	113.8	H194 D224 Q251 R254	H194-A226 PolarHBondContact CE1-O 3.18Å; H194-A226 PolarHBondContact ND1-O 3.08Å; D224-A226 VanDerWaalsContact C-N 3.26Å; D224-A226 PolarHBondContact O-N 3.26Å; D224-A226 VanDerWaalsContact O-N 3.12Å; A226-Q251 WeakPolarHBondContact CA-O 3.19Å; A226-Q251 WeakPolarHBondContact CB-O 3.39Å; A226-Q251 PolarHBondContact N-O 3.49Å; A226-R254 HydrophobicContact CB-CB 4.12Å
227	S	98	Very high	98.3	Very high	8 Å²	8	43.2 Å²	43.2	6%	0.056	22%	0.216	C	C	.	.			trans	-60.9	153.1	168.9	-59.7	0	0	0	0	111.5	H194 N195 D224 D225 H233	H194-S227 WeakPolarHBondContact CA-OG 3.31Å; N195-S227 PolarHBondContact N-OG 3.04Å; N195-S227 WeakPolarHBondContact OD1-CA 3.26Å; D224-S227 WeakPolarHBondContact OD1-CB 3.2Å; D224-S227 PolarHBondContact OD1-N 3.22Å; D224-S227 PolarHBondContact OD1-OG 2.76Å; D225-S227 PolarHBondContact O-N 3.4Å; S227-H233 PolarHBondContact O-CE1 3.22Å; S227-H233 PolarHBondContact O-NE2 3.07Å
228	V	97.1	Very high	98.3	Very high	112 Å²	112	48.4 Å²	48.4	68%	0.679	24%	0.24	S	C	*	.			trans	-108.4	-26.5	-178.9	-179.5	0	0	0	0	111.3	N195 E230	N195-V228 PolarHBondContact OD1-N 2.66Å; V228-E230 PolarHBondContact O-N 3.39Å
229	D	97.2	Very high	98.2	Very high	29 Å²	29	45.8 Å²	45.8	16%	0.155	23%	0.227	C	C	.	.			trans	-64.1	118.6	-178.4	-74.2	-33	0	0	0	112.2	K147 Y231 L232 H233	K147-D229 VanDerWaalsContact CE-OD2 3.28Å; K147-D229 WeakPolarHBondContact CE-OD2 3.44Å; K147-D229 IonicContact NZ-OD1 3.67Å; K147-D229 PolarHBondContact NZ-OD1 3.48Å; K147-D229 IonicContact NZ-OD2 2.71Å; K147-D229 PolarHBondContact NZ-OD2 3.09Å; D229-Y231 HydrophobicContact CB-CD1 3.98Å; D229-Y231 HydrophobicContact CB-CE1 3.5Å; D229-Y231 HydrophobicContact CB-CE2 4.12Å; D229-Y231 HydrophobicContact CB-CG 4.46Å; D229-Y231 PolarHBondContact O-N 3.27Å; D229-Y231 VanDerWaalsContact O-N 3.08Å; D229-Y231 VanDerWaalsContact OD2-CZ 3.32Å; D229-Y231 PolarHBondContact OD2-OH 3.46Å; D229-L232 HydrophobicContact CB-CD1 4.03Å; D229-L232 HydrophobicContact CB-CG 4.18Å; D229-L232 WeakPolarHBondContact O-CB 3.39Å; D229-L232 PolarHBondContact O-N 3.01Å; D229-H233 PolarHBondContact O-CD2 3.4Å
230	E	97.9	Very high	98.2	Very high	174 Å²	174	46 Å²	46	81%	0.813	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-52.8	-37.1	-176	-69.7	-175.3	172.6	0	0	113.8	V228 L232 H233	V228-E230 PolarHBondContact O-N 3.39Å; E230-L232 PolarHBondContact O-N 3.18Å; E230-L232 VanDerWaalsContact O-N 3.14Å; E230-H233 PolarHBondContact O-N 3.31Å
231	Y	98	Very high	98.1	Very high	58 Å²	58	52.3 Å²	52.3	23%	0.227	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-65.3	-16.5	179.5	62.2	-103.4	0	0	0	113.6	E196 W198 D229 L236	E196-Y231 PolarHBondContact O-OH 2.84Å; W198-Y231 HydrophobicContact CB-CD2 4.09Å; W198-Y231 HydrophobicContact CB-CE2 4.12Å; W198-Y231 HydrophobicContact CE3-CD2 4.02Å; W198-Y231 VanDerWaalsContact CZ3-O 3.3Å; W198-Y231 WeakPolarHBondContact CZ3-O 3.43Å; D229-Y231 HydrophobicContact CB-CD1 3.98Å; D229-Y231 HydrophobicContact CB-CE1 3.5Å; D229-Y231 HydrophobicContact CB-CE2 4.12Å; D229-Y231 HydrophobicContact CB-CG 4.46Å; D229-Y231 PolarHBondContact O-N 3.27Å; D229-Y231 VanDerWaalsContact O-N 3.08Å; D229-Y231 VanDerWaalsContact OD2-CZ 3.32Å; D229-Y231 PolarHBondContact OD2-OH 3.46Å; Y231-L236 PolarHBondContact O-N 3.35Å
232	L	98.5	Very high	97.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-86.6	-6.2	176.1	-65.5	176.8	0	0	0	112.8	F193 L201 D229 E230 L236 R250	F193-L232 HydrophobicContact CD2-CD1 4.12Å; F193-L232 HydrophobicContact CD2-CD2 4.42Å; F193-L232 HydrophobicContact CE2-CB 4.15Å; F193-L232 HydrophobicContact CE2-CD1 4.04Å; F193-L232 HydrophobicContact CE2-CD2 4.09Å; F193-L232 HydrophobicContact CE2-CG 4.32Å; L201-L232 HydrophobicContact CD2-CD2 3.77Å; D229-L232 HydrophobicContact CB-CD1 4.03Å; D229-L232 HydrophobicContact CB-CG 4.18Å; D229-L232 WeakPolarHBondContact O-CB 3.39Å; D229-L232 PolarHBondContact O-N 3.01Å; E230-L232 PolarHBondContact O-N 3.18Å; E230-L232 VanDerWaalsContact O-N 3.14Å; L232-L236 HydrophobicContact CD2-CD2 4.37Å; L232-L236 WeakPolarHBondContact O-CB 3.41Å; L232-R250 PolarHBondContact O-NH1 3.35Å; L232-R250 PolarHBondContact O-NH2 3.45Å
233	H	98.2	Very high	97.8	Very high	65 Å²	65	59.1 Å²	59.1	30%	0.301	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-116.6	177.9	-61.8	-78.8	0	0	0	111	S227 D229 E230 K235 L236 D237 R250	S227-H233 PolarHBondContact O-CE1 3.22Å; S227-H233 PolarHBondContact O-NE2 3.07Å; D229-H233 PolarHBondContact O-CD2 3.4Å; E230-H233 PolarHBondContact O-N 3.31Å; H233-K235 VanDerWaalsContact C-N 3.25Å; H233-K235 PolarHBondContact O-N 3.25Å; H233-K235 VanDerWaalsContact O-N 3.16Å; H233-L236 WeakPolarHBondContact O-CB 3.4Å; H233-L236 PolarHBondContact O-N 3.15Å; H233-D237 PolarHBondContact O-N 2.83Å; H233-R250 PolarHBondContact O-NH2 2.95Å
234	D	98.2	Very high	97.6	Very high	124 Å²	124	64.8 Å²	64.8	66%	0.663	33%	0.327	S	S	*	.	H	α-helix	trans	-55.7	-38.2	-172.7	-60.2	-23.2	0	0	0	112.8	L236 D237 E238	D234-L236 VanDerWaalsContact C-N 3.32Å; D234-L236 PolarHBondContact O-N 2.94Å; D234-D237 PolarHBondContact O-N 2.93Å; D234-E238 WeakPolarHBondContact O-CG 3.43Å; D234-E238 PolarHBondContact O-N 3.01Å
235	K	98.5	Very high	97.6	Very high	122 Å²	122	66.3 Å²	66.3	53%	0.53	34%	0.335	S	S	.	.	H	α-helix	trans	-61.8	-40.3	177.8	-175.2	-175.5	176	-176.7	0	112	W198 H233 Y239	W198-K235 HydrophobicContact CH2-CD 4.1Å; W198-K235 HydrophobicContact CH2-CG 3.8Å; W198-K235 HydrophobicContact CZ3-CB 4.5Å; W198-K235 HydrophobicContact CZ3-CD 4.07Å; W198-K235 HydrophobicContact CZ3-CG 3.96Å; H233-K235 VanDerWaalsContact C-N 3.25Å; H233-K235 PolarHBondContact O-N 3.25Å; H233-K235 VanDerWaalsContact O-N 3.16Å; K235-Y239 WeakPolarHBondContact O-CB 3.49Å; K235-Y239 PolarHBondContact O-N 2.85Å; K235-Y239 VanDerWaalsContact O-N 3.08Å
236	L	98.6	Very high	97.6	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-70.6	-43.3	176.4	-176.3	64.4	0	0	0	110.4	F193 W198 L201 L202 Y231 L232 H233 D234 E238 Y239 V240 I248	F193-L236 HydrophobicContact CE1-CD2 4.41Å; F193-L236 HydrophobicContact CE2-CD2 4.26Å; F193-L236 HydrophobicContact CZ-CD2 3.71Å; W198-L236 HydrophobicContact CZ3-CB 4.1Å; W198-L236 HydrophobicContact CZ3-CD1 4.05Å; L201-L236 HydrophobicContact CD2-CD1 4.19Å; L201-L236 HydrophobicContact CD2-CD2 3.93Å; L202-L236 HydrophobicContact CD2-CD1 4.01Å; Y231-L236 PolarHBondContact O-N 3.35Å; L232-L236 HydrophobicContact CD2-CD2 4.37Å; L232-L236 WeakPolarHBondContact O-CB 3.41Å; H233-L236 WeakPolarHBondContact O-CB 3.4Å; H233-L236 PolarHBondContact O-N 3.15Å; D234-L236 VanDerWaalsContact C-N 3.32Å; D234-L236 PolarHBondContact O-N 2.94Å; L236-E238 VanDerWaalsContact C-N 3.34Å; L236-E238 PolarHBondContact O-N 3.15Å; L236-Y239 PolarHBondContact O-N 2.91Å; L236-V240 HydrophobicContact CD1-CG1 4.03Å; L236-V240 HydrophobicContact CG-CG1 4.41Å; L236-V240 WeakPolarHBondContact O-CG1 3.34Å; L236-V240 WeakPolarHBondContact O-CG2 3.29Å; L236-V240 PolarHBondContact O-N 2.79Å; L236-I248 HydrophobicContact CB-CD1 4.44Å; L236-I248 HydrophobicContact CD2-CD1 4.02Å; L236-I248 HydrophobicContact CG-CD1 3.75Å
237	D	97.8	Very high	97.6	Very high	56 Å²	56	70.5 Å²	70.5	30%	0.299	35%	0.349	S	S	.	.	H	α-helix	trans	-56.6	-46.8	177.1	-73.6	1.6	0	0	0	111.3	H233 D234 K241 I248 R250	H233-D237 PolarHBondContact O-N 2.83Å; D234-D237 PolarHBondContact O-N 2.93Å; D237-K241 WeakPolarHBondContact O-CG 3.39Å; D237-I248 WeakPolarHBondContact OD1-CD1 3.39Å; D237-R250 IonicContact OD1-CZ 3.95Å; D237-R250 IonicContact OD1-NE 2.75Å; D237-R250 IonicContact OD1-NH2 3.36Å; D237-R250 PolarHBondContact OD1-NH2 2.85Å
238	E	98.3	Very high	97.6	Very high	117 Å²	117	71.9 Å²	71.9	55%	0.547	36%	0.356	S	S	.	.	H	α-helix	trans	-67	-40.8	176.4	-67.3	-51.5	139.4	0	0	112.6	D234 L236 V240 K241	D234-E238 WeakPolarHBondContact O-CG 3.43Å; D234-E238 PolarHBondContact O-N 3.01Å; L236-E238 VanDerWaalsContact C-N 3.34Å; L236-E238 PolarHBondContact O-N 3.15Å; E238-V240 PolarHBondContact O-N 3.11Å; E238-K241 PolarHBondContact O-N 3.09Å; E238-K241 IonicContact OE1-NZ 2.7Å; E238-K241 PolarHBondContact OE1-NZ 2.89Å; E238-K241 WeakPolarHBondContact OE2-CD 3.11Å; E238-K241 IonicContact OE2-NZ 3.64Å; E238-K241 PolarHBondContact OE2-NZ 3.13Å
239	Y	98.4	Very high	97.7	Very high	59 Å²	59	67.9 Å²	67.9	23%	0.231	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-42.2	-178.7	-175.4	-91.4	0	0	0	112.4	W198 L202 H206 K235 L236 K241 Q242 F243	W198-Y239 HydrophobicContact CH2-CD2 4.35Å; W198-Y239 HydrophobicContact CH2-CG 4.01Å; W198-Y239 AromaticContact CZ2-CD2 3.98Å; W198-Y239 HydrophobicContact CZ2-CD2 3.98Å; W198-Y239 HydrophobicContact CZ2-CE2 4.47Å; W198-Y239 HydrophobicContact CZ2-CG 4.01Å; L202-Y239 HydrophobicContact CD1-CD1 3.7Å; L202-Y239 HydrophobicContact CD1-CE1 3.4Å; L202-Y239 VanDerWaalsContact CD1-CE1 3.4Å; L202-Y239 HydrophobicContact CD1-CE2 4.27Å; L202-Y239 HydrophobicContact CD1-CG 4.26Å; L202-Y239 HydrophobicContact CD2-CD1 3.66Å; L202-Y239 HydrophobicContact CD2-CE1 3.61Å; L202-Y239 HydrophobicContact CG-CD1 4.36Å; L202-Y239 HydrophobicContact CG-CE1 4.1Å; H206-Y239 AromaticContact NE2-CZ 3.94Å; H206-Y239 PolarHBondContact NE2-OH 3.17Å; K235-Y239 WeakPolarHBondContact O-CB 3.49Å; K235-Y239 PolarHBondContact O-N 2.85Å; K235-Y239 VanDerWaalsContact O-N 3.08Å; L236-Y239 PolarHBondContact O-N 2.91Å; Y239-K241 VanDerWaalsContact C-N 3.32Å; Y239-K241 PolarHBondContact O-N 2.89Å; Y239-Q242 WeakPolarHBondContact O-CG 3.44Å; Y239-Q242 PolarHBondContact O-NE2 3.39Å; Y239-F243 HydrophobicContact CD1-CE2 4.24Å; Y239-F243 AromaticContact CE1-CE2 3.82Å; Y239-F243 HydrophobicContact CE1-CE2 3.82Å; Y239-F243 HydrophobicContact CE1-CZ 4.26Å
240	V	97.8	Very high	97.7	Very high	7 Å²	7	70 Å²	70	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-76.3	-17.7	-174.9	-59.5	0	0	0	0	113.7	L222 L236 E238 Q242 F243 V246 I248	L222-V240 HydrophobicContact CD1-CG1 4.14Å; L236-V240 HydrophobicContact CD1-CG1 4.03Å; L236-V240 HydrophobicContact CG-CG1 4.41Å; L236-V240 WeakPolarHBondContact O-CG1 3.34Å; L236-V240 WeakPolarHBondContact O-CG2 3.29Å; L236-V240 PolarHBondContact O-N 2.79Å; E238-V240 PolarHBondContact O-N 3.11Å; V240-Q242 PolarHBondContact O-N 2.98Å; V240-Q242 VanDerWaalsContact O-N 3.08Å; V240-F243 PolarHBondContact O-N 2.73Å; V240-V246 HydrophobicContact CB-CB 4.27Å; V240-V246 HydrophobicContact CB-CG1 3.82Å; V240-V246 HydrophobicContact CG1-CG1 3.98Å; V240-V246 HydrophobicContact CG2-CG1 4.43Å; V240-I248 HydrophobicContact CB-CD1 4.49Å; V240-I248 HydrophobicContact CG1-CD1 4.25Å; V240-I248 HydrophobicContact CG2-CD1 3.48Å; V240-I248 VanDerWaalsContact CG2-CD1 3.48Å; V240-I248 HydrophobicContact CG2-CG1 4.03Å
241	K	96.4	Very high	97.6	Very high	134 Å²	134	62.6 Å²	62.6	58%	0.583	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.6	179.2	-80.5	173.3	-169.7	176.7	0	114	D237 E238 Y239 F243	D237-K241 WeakPolarHBondContact O-CG 3.39Å; E238-K241 PolarHBondContact O-N 3.09Å; E238-K241 IonicContact OE1-NZ 2.7Å; E238-K241 PolarHBondContact OE1-NZ 2.89Å; E238-K241 WeakPolarHBondContact OE2-CD 3.11Å; E238-K241 IonicContact OE2-NZ 3.64Å; E238-K241 PolarHBondContact OE2-NZ 3.13Å; Y239-K241 VanDerWaalsContact C-N 3.32Å; Y239-K241 PolarHBondContact O-N 2.89Å; K241-F243 PolarHBondContact O-N 3.02Å
242	Q	96.3	Very high	97.4	Very high	124 Å²	124	71.4 Å²	71.4	58%	0.579	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.4	176.1	75	-170.8	-69.5	0	0	112.7	Y239 V240	Y239-Q242 WeakPolarHBondContact O-CG 3.44Å; Y239-Q242 PolarHBondContact O-NE2 3.39Å; V240-Q242 PolarHBondContact O-N 2.98Å; V240-Q242 VanDerWaalsContact O-N 3.08Å
243	F	96.3	Very high	97.3	Very high	20 Å²	20	77.7 Å²	77.7	9%	0.088	37%	0.365	C	S	.	.	S	Bend	trans	-103	103.4	176.8	-46.1	-63.1	0	0	0	109.3	L111 H206 L209 Y239 V240 K241 I245 V246	L111-F243 HydrophobicContact CD1-CD1 4.06Å; L111-F243 HydrophobicContact CD1-CE1 3.9Å; H206-F243 AromaticContact CE1-CZ 3.46Å; H206-F243 VanDerWaalsContact CE1-CZ 3.46Å; H206-F243 WeakPolarHBondContact CE1-CZ 3.2Å; H206-F243 AromaticContact NE2-CZ 3.75Å; L209-F243 HydrophobicContact CD1-CD1 3.75Å; L209-F243 HydrophobicContact CD1-CD2 4.37Å; L209-F243 HydrophobicContact CD1-CE1 4.01Å; L209-F243 HydrophobicContact CD1-CG 3.95Å; L209-F243 HydrophobicContact CD1-CZ 4.45Å; Y239-F243 HydrophobicContact CD1-CE2 4.24Å; Y239-F243 AromaticContact CE1-CE2 3.82Å; Y239-F243 HydrophobicContact CE1-CE2 3.82Å; Y239-F243 HydrophobicContact CE1-CZ 4.26Å; V240-F243 PolarHBondContact O-N 2.73Å; K241-F243 PolarHBondContact O-N 3.02Å; F243-I245 PolarHBondContact O-N 3.41Å; F243-V246 HydrophobicContact CB-CB 3.98Å; F243-V246 HydrophobicContact CB-CG2 3.41Å; F243-V246 VanDerWaalsContact CB-CG2 3.41Å; F243-V246 HydrophobicContact CD2-CG2 4.12Å; F243-V246 HydrophobicContact CG-CG2 4.07Å; F243-V246 PolarHBondContact O-N 3.42Å
244	S	94.5	Very high	97	Very high	118 Å²	118	77.1 Å²	77.1	83%	0.825	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.7	-174.5	55.8	0	0	0	0	115.3
245	I	97.6	Very high	96.8	Very high	37 Å²	37	75.9 Å²	75.9	19%	0.19	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	0.7	-177.5	66.6	171.4	0	0	0	113.7	V110 L209 L217 E219 I220 F243	V110-I245 HydrophobicContact CG1-CD1 3.98Å; V110-I245 HydrophobicContact CG2-CD1 4.08Å; L209-I245 HydrophobicContact CD2-CD1 3.96Å; L209-I245 HydrophobicContact CD2-CG1 4.27Å; L217-I245 HydrophobicContact CD2-CD1 3.95Å; L217-I245 HydrophobicContact CG-CD1 3.99Å; E219-I245 CarbonylContact C-O 3.55Å; E219-I245 VanDerWaalsContact CA-O 3.28Å; E219-I245 WeakPolarHBondContact CA-O 3.3Å; I220-I245 PolarHBondContact N-O 3.01Å; F243-I245 PolarHBondContact O-N 3.41Å
246	V	98.5	Very high	96.5	Very high	12 Å²	12	70.1 Å²	70.1	7%	0.073	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.6	178.4	-176.1	0	0	0	0	109.5	V205 I220 L222 V240 F243	V205-V246 HydrophobicContact CG1-CG2 4.23Å; I220-V246 HydrophobicContact CB-CG2 4.13Å; I220-V246 HydrophobicContact CD1-CG2 4.16Å; I220-V246 HydrophobicContact CG1-CG2 4.5Å; I220-V246 CarbonylContact O-C 3.56Å; I220-V246 WeakPolarHBondContact O-CA 3.27Å; L222-V246 HydrophobicContact CD1-CG1 4.01Å; L222-V246 HydrophobicContact CG-CG1 4.17Å; V240-V246 HydrophobicContact CB-CB 4.27Å; V240-V246 HydrophobicContact CB-CG1 3.82Å; V240-V246 HydrophobicContact CG1-CG1 3.98Å; V240-V246 HydrophobicContact CG2-CG1 4.43Å; F243-V246 HydrophobicContact CB-CB 3.98Å; F243-V246 HydrophobicContact CB-CG2 3.41Å; F243-V246 VanDerWaalsContact CB-CG2 3.41Å; F243-V246 HydrophobicContact CD2-CG2 4.12Å; F243-V246 HydrophobicContact CG-CG2 4.07Å; F243-V246 PolarHBondContact O-N 3.42Å
247	K	97.4	Very high	96.3	Very high	104 Å²	104	71.4 Å²	71.4	45%	0.452	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.1	179.6	-61.4	174.4	-173.8	163.9	0	109.8	E219 I220 L222	E219-K247 IonicContact OE2-NZ 3.09Å; E219-K247 PolarHBondContact OE2-NZ 3.04Å; I220-K247 PolarHBondContact O-N 2.97Å; L222-K247 PolarHBondContact N-O 3.22Å
248	I	98.5	Very high	96.1	Very high	37 Å²	37	68.8 Å²	68.8	19%	0.19	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.4	173.8	-60.3	161.9	0	0	0	109.3	L222 L236 D237 V240 R250	L222-I248 HydrophobicContact CB-CG1 4.02Å; L222-I248 HydrophobicContact CD1-CG1 4.13Å; L222-I248 CarbonylContact O-C 3.49Å; L222-I248 VanDerWaalsContact O-CA 3.3Å; L222-I248 WeakPolarHBondContact O-CA 3.49Å; L236-I248 HydrophobicContact CB-CD1 4.44Å; L236-I248 HydrophobicContact CD2-CD1 4.02Å; L236-I248 HydrophobicContact CG-CD1 3.75Å; D237-I248 WeakPolarHBondContact OD1-CD1 3.39Å; V240-I248 HydrophobicContact CB-CD1 4.49Å; V240-I248 HydrophobicContact CG1-CD1 4.25Å; V240-I248 HydrophobicContact CG2-CD1 3.48Å; V240-I248 VanDerWaalsContact CG2-CD1 3.48Å; V240-I248 HydrophobicContact CG2-CG1 4.03Å; I248-R250 HydrophobicContact CG2-CG 4.35Å; I248-R250 VanDerWaalsContact CG2-NE 3.28Å
249	V	98.4	Very high	96	Very high	29 Å²	29	65 Å²	65	18%	0.176	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.4	174.1	-175.2	0	0	0	0	107.9	I221 L222 V223 D224 L263 V267	I221-V249 HydrophobicContact CG2-CG2 3.82Å; L222-V249 PolarHBondContact O-N 3.47Å; V223-V249 CarbonylContact C-O 3.55Å; V223-V249 WeakPolarHBondContact CA-O 3.45Å; V223-V249 HydrophobicContact CG2-CB 4.45Å; D224-V249 PolarHBondContact N-O 3.47Å; V249-L263 HydrophobicContact CG1-CD1 4.09Å; V249-L263 HydrophobicContact CG1-CD2 3.67Å; V249-L263 HydrophobicContact CG1-CG 3.68Å; V249-V267 HydrophobicContact CG2-CG2 3.91Å
250	R	98.3	Very high	95.9	Very high	72 Å²	72	62.2 Å²	62.2	27%	0.272	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.5	-174.8	-57.4	-64.5	-172.5	169.3	-7.5	110.7	D224 L232 H233 D237 I248	D224-R250 VanDerWaalsContact CG-NH1 3.34Å; D224-R250 WeakPolarHBondContact OD2-CD 3.41Å; D224-R250 IonicContact OD2-CZ 3.34Å; D224-R250 IonicContact OD2-NE 3.77Å; D224-R250 IonicContact OD2-NH1 3.54Å; D224-R250 PolarHBondContact OD2-NH1 3.12Å; L232-R250 PolarHBondContact O-NH1 3.35Å; L232-R250 PolarHBondContact O-NH2 3.45Å; H233-R250 PolarHBondContact O-NH2 2.95Å; D237-R250 IonicContact OD1-CZ 3.95Å; D237-R250 IonicContact OD1-NE 2.75Å; D237-R250 IonicContact OD1-NH2 3.36Å; D237-R250 PolarHBondContact OD1-NH2 2.85Å; I248-R250 HydrophobicContact CG2-CG 4.35Å; I248-R250 VanDerWaalsContact CG2-NE 3.28Å
251	Q	95.9	Very high	96	Very high	19 Å²	19	62 Å²	62	9%	0.089	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	119.4	165.7	-163.6	166.3	-113.3	0	0	108.8	D224 D225 A226 E253 L263	D224-Q251 VanDerWaalsContact O-CB 3.29Å; D224-Q251 WeakPolarHBondContact O-CB 3.09Å; D224-Q251 PolarHBondContact O-N 3.26Å; D225-Q251 PolarHBondContact OD1-NE2 2.79Å; A226-Q251 WeakPolarHBondContact CA-O 3.19Å; A226-Q251 WeakPolarHBondContact CB-O 3.39Å; A226-Q251 PolarHBondContact N-O 3.49Å; Q251-E253 VanDerWaalsContact C-N 3.3Å; Q251-E253 WeakPolarHBondContact CG-O 3.28Å; Q251-E253 PolarHBondContact O-N 2.82Å; Q251-L263 HydrophobicContact CB-CD2 4.14Å; Q251-L263 HydrophobicContact CG-CD2 4.46Å
252	R	94.1	Very high	96	Very high	244 Å²	244	56.8 Å²	56.8	92%	0.921	27%	0.268	S	S	*	.	S	Bend	trans	-70.4	-26.5	-172.3	-65.2	-176.3	-179.8	-177.9	-0.8	113.9
253	E	94.5	Very high	96.1	Very high	131 Å²	131	53.4 Å²	53.4	61%	0.612	25%	0.253	S	S	*	.	S	Bend	trans	-125.2	145.8	-178.7	-67.1	177.4	169.7	0	0	109.1	Q251 K255	Q251-E253 VanDerWaalsContact C-N 3.3Å; Q251-E253 WeakPolarHBondContact CG-O 3.28Å; Q251-E253 PolarHBondContact O-N 2.82Å; E253-K255 PolarHBondContact O-N 2.85Å; E253-K255 VanDerWaalsContact O-N 3.07Å
254	R	93.6	Very high	96.2	Very high	54 Å²	54	52.5 Å²	52.5	20%	0.204	25%	0.249	C	C	.	.			trans	-71.2	106.6	179.2	-171.4	172.4	-176.5	-93.8	-2.1	110.5	H194 D225 A226 S424	H194-R254 PolarHBondContact CE1-NE 2.78Å; H194-R254 PolarHBondContact NE2-NE 2.75Å; D225-R254 WeakPolarHBondContact OD1-CA 3.25Å; A226-R254 HydrophobicContact CB-CB 4.12Å; R254-S424 PolarHBondContact NH1-O 3.01Å; R254-S424 PolarHBondContact NH2-O 3.26Å
255	K	92.8	Very high	96.4	Very high	98 Å²	98	47.2 Å²	47.2	43%	0.426	21%	0.213	S	C	.	.			trans	-117.4	-4.3	-179.1	-60.2	-177.5	177.9	-174.3	0	113.5	D225 E253 T259	D225-K255 PolarHBondContact OD1-N 2.85Å; E253-K255 PolarHBondContact O-N 2.85Å; E253-K255 VanDerWaalsContact O-N 3.07Å; K255-T259 HydrophobicContact CB-CG2 3.96Å; K255-T259 HydrophobicContact CD-CG2 3.91Å; K255-T259 PolarHBondContact O-OG1 3.03Å
256	G	92.9	Very high	96.4	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.01	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	94.6	173.8	175.7	0	0	0	0	0	115	D225 I258 T259 A260 I386	D225-G256 PolarHBondContact OD1-N 2.9Å; D225-G256 WeakPolarHBondContact OD2-CA 3.31Å; D225-G256 PolarHBondContact OD2-N 2.89Å; G256-I258 VanDerWaalsContact C-N 3.28Å; G256-I258 PolarHBondContact O-N 3.35Å; G256-T259 PolarHBondContact O-N 3.35Å; G256-A260 WeakPolarHBondContact O-CB 3.47Å; G256-A260 PolarHBondContact O-N 3.49Å; G256-A260 VanDerWaalsContact O-N 3.09Å; G256-I386 CarbonylContact C-O 3.55Å; G256-I386 WeakPolarHBondContact CA-O 3.43Å
257	L	93.3	Very high	96.4	Very high	26 Å²	26	53 Å²	53	14%	0.136	25%	0.25	C	C	.	.	H	α-helix	trans	-53.1	-44.9	-177.9	179.7	64.4	0	0	0	112	V192 A260 R261 I386	V192-L257 HydrophobicContact CB-CD1 3.85Å; V192-L257 HydrophobicContact CG1-CD1 3.96Å; V192-L257 HydrophobicContact CG2-CD1 4.2Å; L257-A260 PolarHBondContact O-N 2.96Å; L257-R261 HydrophobicContact CD1-CG 4.12Å; L257-R261 HydrophobicContact CG-CG 4.43Å; L257-R261 WeakPolarHBondContact O-CB 3.31Å; L257-R261 WeakPolarHBondContact O-CG 3.36Å; L257-R261 PolarHBondContact O-N 2.89Å; L257-I386 PolarHBondContact N-O 3.08Å
258	I	94.3	Very high	96.5	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-54	-171.8	-59.1	169.7	0	0	0	110.3	G256 A260 R261 L262 Y380 M384 E390	G256-I258 VanDerWaalsContact C-N 3.28Å; G256-I258 PolarHBondContact O-N 3.35Å; I258-A260 VanDerWaalsContact C-N 3.3Å; I258-A260 PolarHBondContact O-N 3.15Å; I258-R261 PolarHBondContact O-N 2.86Å; I258-L262 HydrophobicContact CG2-CD1 4.4Å; I258-L262 WeakPolarHBondContact O-CG 3.48Å; I258-L262 PolarHBondContact O-N 3.3Å; I258-Y380 HydrophobicContact CG2-CD2 4.38Å; I258-Y380 HydrophobicContact CG2-CG 3.99Å; I258-M384 HydrophobicContact CD1-CB 3.22Å; I258-M384 HydrophobicContact CD1-CG 4.23Å; I258-M384 HydrophobicContact CD1-SD 4.05Å; I258-E390 HydrophobicContact CD1-CB 3.66Å; I258-E390 HydrophobicContact CD1-CG 4.2Å; I258-E390 HydrophobicContact CG1-CB 3.92Å; I258-E390 HydrophobicContact CG1-CG 3.98Å
259	T	96	Very high	96.5	Very high	37 Å²	37	50.6 Å²	50.6	23%	0.227	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-40.7	178.3	-46.6	0	0	0	0	111.4	K255 G256 L262 L263	K255-T259 HydrophobicContact CB-CG2 3.96Å; K255-T259 HydrophobicContact CD-CG2 3.91Å; K255-T259 PolarHBondContact O-OG1 3.03Å; G256-T259 PolarHBondContact O-N 3.35Å; T259-L262 PolarHBondContact O-N 2.89Å; T259-L263 WeakPolarHBondContact O-CB 3.48Å; T259-L263 PolarHBondContact O-N 2.95Å
260	A	97.7	Very high	96.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-39.7	177.7	0	0	0	0	0	112.5	V192 V223 D225 G256 L257 I258 L263 G264	V192-A260 HydrophobicContact CB-CB 4.32Å; V192-A260 HydrophobicContact CG1-CB 3.48Å; V192-A260 VanDerWaalsContact CG1-CB 3.48Å; V192-A260 HydrophobicContact CG2-CB 3.82Å; V223-A260 HydrophobicContact CB-CB 4.49Å; V223-A260 HydrophobicContact CG1-CB 3.85Å; D225-A260 HydrophobicContact CB-CB 4.2Å; G256-A260 WeakPolarHBondContact O-CB 3.47Å; G256-A260 PolarHBondContact O-N 3.49Å; G256-A260 VanDerWaalsContact O-N 3.09Å; L257-A260 PolarHBondContact O-N 2.96Å; I258-A260 VanDerWaalsContact C-N 3.3Å; I258-A260 PolarHBondContact O-N 3.15Å; A260-L263 WeakPolarHBondContact O-CB 3.38Å; A260-L263 PolarHBondContact O-N 3.27Å; A260-G264 PolarHBondContact O-N 3.3Å
261	R	98.1	Very high	96.5	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.011	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-41.9	173.9	-77.7	-174.2	177.3	-177	-3	112.2	V192 L257 I258 L263 G264 A265 F275 D277 G364 G365 Y380	V192-R261 HydrophobicContact CG2-CB 4.44Å; V192-R261 HydrophobicContact CG2-CG 3.6Å; L257-R261 HydrophobicContact CD1-CG 4.12Å; L257-R261 HydrophobicContact CG-CG 4.43Å; L257-R261 WeakPolarHBondContact O-CB 3.31Å; L257-R261 WeakPolarHBondContact O-CG 3.36Å; L257-R261 PolarHBondContact O-N 2.89Å; I258-R261 PolarHBondContact O-N 2.86Å; R261-L263 VanDerWaalsContact C-N 3.33Å; R261-G264 PolarHBondContact O-N 3.45Å; R261-A265 WeakPolarHBondContact O-CB 3.49Å; R261-A265 PolarHBondContact O-N 2.85Å; R261-F275 HydrophobicContact CB-CD1 4.23Å; R261-F275 HydrophobicContact CB-CE1 3.79Å; R261-F275 HydrophobicContact CG-CD1 3.8Å; R261-F275 HydrophobicContact CG-CE1 3.9Å; R261-D277 IonicContact NH2-OD1 3.91Å; R261-D277 PolarHBondContact NH2-OD1 3.49Å; R261-G364 PolarHBondContact NH1-O 2.99Å; R261-G364 PolarHBondContact NH2-O 2.61Å; R261-G365 VanDerWaalsContact NH2-CA 3.34Å; R261-G365 PolarHBondContact NH2-O 2.81Å; R261-Y380 HydrophobicContact CB-CE2 4.29Å; R261-Y380 PolarHBondContact NH1-OH 3.06Å; R261-Y380 VanDerWaalsContact NH1-OH 3.1Å
262	L	97.8	Very high	96.6	Very high	25 Å²	25	48.7 Å²	48.7	13%	0.131	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-40.4	175.3	-69.2	174.9	0	0	0	111.8	I258 T259 A265 T266 F374 Y380 E382	I258-L262 HydrophobicContact CG2-CD1 4.4Å; I258-L262 WeakPolarHBondContact O-CG 3.48Å; I258-L262 PolarHBondContact O-N 3.3Å; T259-L262 PolarHBondContact O-N 2.89Å; L262-A265 PolarHBondContact O-N 3.15Å; L262-T266 WeakPolarHBondContact O-CB 3.42Å; L262-T266 PolarHBondContact O-N 3.27Å; L262-T266 PolarHBondContact O-OG1 2.89Å; L262-F374 HydrophobicContact CD2-CE1 4.13Å; L262-F374 HydrophobicContact CD2-CZ 4.02Å; L262-Y380 HydrophobicContact CD2-CD2 4.26Å; L262-Y380 HydrophobicContact CG-CD2 4.48Å; L262-E382 HydrophobicContact CD1-CG 3.74Å
263	L	98.3	Very high	96.8	Very high	53 Å²	53	37.1 Å²	37.1	28%	0.277	20%	0.195	S	C	.	.	H	α-helix	trans	-61.1	-45.7	174.2	179	58.8	0	0	0	111.6	V223 V249 Q251 T259 A260 R261 T266 V267	V223-L263 HydrophobicContact CG1-CD2 4.08Å; V223-L263 HydrophobicContact CG1-CG 4.47Å; V249-L263 HydrophobicContact CG1-CD1 4.09Å; V249-L263 HydrophobicContact CG1-CD2 3.67Å; V249-L263 HydrophobicContact CG1-CG 3.68Å; Q251-L263 HydrophobicContact CB-CD2 4.14Å; Q251-L263 HydrophobicContact CG-CD2 4.46Å; T259-L263 WeakPolarHBondContact O-CB 3.48Å; T259-L263 PolarHBondContact O-N 2.95Å; A260-L263 WeakPolarHBondContact O-CB 3.38Å; A260-L263 PolarHBondContact O-N 3.27Å; R261-L263 VanDerWaalsContact C-N 3.33Å; L263-T266 PolarHBondContact O-N 3.01Å; L263-V267 PolarHBondContact O-N 3.3Å
264	G	98.4	Very high	97	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-45.1	173.6	0	0	0	0	0	112.8	A260 R261 T266 V267 A268	A260-G264 PolarHBondContact O-N 3.3Å; R261-G264 PolarHBondContact O-N 3.45Å; G264-T266 VanDerWaalsContact C-N 3.31Å; G264-T266 PolarHBondContact O-N 3.33Å; G264-V267 WeakPolarHBondContact O-CG2 3.46Å; G264-V267 PolarHBondContact O-N 2.9Å; G264-A268 WeakPolarHBondContact O-CB 3.29Å; G264-A268 PolarHBondContact O-N 3.42Å; G264-A268 VanDerWaalsContact O-N 3.08Å
265	A	98.3	Very high	97.3	Very high	7 Å²	7	28.3 Å²	28.3	6%	0.058	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-35	179.1	0	0	0	0	0	112.7	I190 R261 L262 V267 A268 L273 F275 F374	I190-A265 HydrophobicContact CD1-CB 4.26Å; R261-A265 WeakPolarHBondContact O-CB 3.49Å; R261-A265 PolarHBondContact O-N 2.85Å; L262-A265 PolarHBondContact O-N 3.15Å; A265-V267 PolarHBondContact O-N 3.43Å; A265-A268 PolarHBondContact O-N 3.04Å; A265-L273 HydrophobicContact CB-CD1 3.7Å; A265-F275 HydrophobicContact CB-CZ 4.47Å; A265-F374 HydrophobicContact CB-CD1 4.38Å; A265-F374 HydrophobicContact CB-CE1 3.84Å
266	T	97.8	Very high	97.6	Very high	108 Å²	108	23.8 Å²	23.8	66%	0.663	14%	0.137	S	C	*	.	H	α-helix	trans	-63.8	-39.9	178.7	-59.4	0	0	0	0	111.8	L262 L263 G264	L262-T266 WeakPolarHBondContact O-CB 3.42Å; L262-T266 PolarHBondContact O-N 3.27Å; L262-T266 PolarHBondContact O-OG1 2.89Å; L263-T266 PolarHBondContact O-N 3.01Å; G264-T266 VanDerWaalsContact C-N 3.31Å; G264-T266 PolarHBondContact O-N 3.33Å
267	V	98.3	Very high	97.9	Very high	63 Å²	63	25 Å²	25	38%	0.382	14%	0.144	S	C	.	.	H	α-helix	trans	-88.9	-12.1	-179.6	-55.7	0	0	0	0	113.6	I221 V249 L263 G264 A265	I221-V267 HydrophobicContact CD1-CG2 4.09Å; I221-V267 HydrophobicContact CG2-CG2 4Å; V249-V267 HydrophobicContact CG2-CG2 3.91Å; L263-V267 PolarHBondContact O-N 3.3Å; G264-V267 WeakPolarHBondContact O-CG2 3.46Å; G264-V267 PolarHBondContact O-N 2.9Å; A265-V267 PolarHBondContact O-N 3.43Å
268	A	98.6	Very high	98.1	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.017	14%	0.138	C	C	.	.			trans	-64.4	139.5	178.1	0	0	0	0	0	111.9	I190 I221 G264 A265 L273 K371	I190-A268 HydrophobicContact CD1-CB 4.37Å; I221-A268 HydrophobicContact CD1-CB 3.75Å; G264-A268 WeakPolarHBondContact O-CB 3.29Å; G264-A268 PolarHBondContact O-N 3.42Å; G264-A268 VanDerWaalsContact O-N 3.08Å; A265-A268 PolarHBondContact O-N 3.04Å; A268-L273 HydrophobicContact CB-CD2 3.48Å; A268-L273 VanDerWaalsContact CB-CD2 3.48Å; A268-K371 PolarHBondContact O-NZ 2.76Å
269	T	98.4	Very high	98.3	Very high	89 Å²	89	24.9 Å²	24.9	55%	0.546	14%	0.142	S	C	.	.			trans	-117.9	-7.1	-174.8	61	0	0	0	0	114.1	S188 E219	S188-T269 PolarHBondContact OG-N 2.79Å; E219-T269 PolarHBondContact OE1-N 2.89Å; E219-T269 PolarHBondContact OE1-OG1 2.77Å
270	A	98.4	Very high	98.4	Very high	5 Å²	5	23.1 Å²	23.1	4%	0.041	13%	0.132	C	C	.	.	S	Bend	trans	-78.6	170.2	178.3	0	0	0	0	0	113	T186 S188 K218	T186-A270 WeakPolarHBondContact O-CB 3.34Å; S188-A270 WeakPolarHBondContact OG-CB 3.49Å; S188-A270 PolarHBondContact OG-N 3.42Å; S188-A270 VanDerWaalsContact OG-N 3.15Å; K218-A270 HydrophobicContact CB-CB 3.79Å; K218-A270 HydrophobicContact CG-CB 4.13Å
271	E	98.5	Very high	98.5	Very high	73 Å²	73	23.5 Å²	23.5	34%	0.341	13%	0.133	S	C	.	.	S	Bend	trans	-72.3	-32.5	180	-66.6	158	-87.9	0	0	112.2	R95 P185 T186 K371	R95-E271 IonicContact CZ-OE1 3.24Å; R95-E271 IonicContact CZ-OE2 3.17Å; R95-E271 IonicContact NH1-OE1 3.83Å; R95-E271 PolarHBondContact NH1-OE1 2.9Å; R95-E271 IonicContact NH1-OE2 3.55Å; R95-E271 PolarHBondContact NH1-OE2 3.44Å; R95-E271 IonicContact NH2-OE1 3.78Å; R95-E271 PolarHBondContact NH2-OE1 3.3Å; P185-E271 HydrophobicContact CB-CB 3.85Å; T186-E271 PolarHBondContact N-OE1 3.42Å; T186-E271 PolarHBondContact O-N 3.24Å; T186-E271 PolarHBondContact OG1-OE1 3.49Å; E271-K371 WeakPolarHBondContact O-CB 3.18Å; E271-K371 PolarHBondContact O-N 3.36Å
272	T	98.9	Very high	98.5	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	155.2	175.4	60.1	0	0	0	0	111.9	P185 T186 T187 S188 L291 I294 I369	P185-T272 HydrophobicContact CB-CG2 3.83Å; P185-T272 HydrophobicContact CG-CG2 3.63Å; T186-T272 PolarHBondContact O-N 2.84Å; T186-T272 PolarHBondContact O-OG1 2.92Å; T186-T272 VanDerWaalsContact O-OG1 3.05Å; T187-T272 WeakPolarHBondContact CA-O 3.19Å; T187-T272 WeakPolarHBondContact CA-OG1 3.3Å; T187-T272 WeakPolarHBondContact CB-OG1 3.31Å; T187-T272 PolarHBondContact OG1-O 3.39Å; T187-T272 PolarHBondContact OG1-OG1 2.92Å; S188-T272 PolarHBondContact N-O 3.21Å; T272-L291 HydrophobicContact CG2-CD2 4.22Å; T272-L291 VanDerWaalsContact OG1-CD2 3.27Å; T272-L291 WeakPolarHBondContact OG1-CD2 3.17Å; T272-I294 HydrophobicContact CG2-CB 4.49Å; T272-I294 HydrophobicContact CG2-CD1 4.05Å; T272-I294 HydrophobicContact CG2-CG2 3.87Å; T272-I369 CarbonylContact C-O 3.53Å; T272-I369 VanDerWaalsContact CA-O 3.29Å; T272-I369 WeakPolarHBondContact CA-O 3.38Å; T272-I369 WeakPolarHBondContact CB-O 3.49Å
273	L	98.9	Very high	98.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130	170.3	-53	179.9	0	0	0	108.1	I190 A265 A268 F275 S368 I369 K371 F374	I190-L273 HydrophobicContact CD1-CB 4.39Å; I190-L273 HydrophobicContact CD1-CD2 4.03Å; A265-L273 HydrophobicContact CB-CD1 3.7Å; A268-L273 HydrophobicContact CB-CD2 3.48Å; A268-L273 VanDerWaalsContact CB-CD2 3.48Å; L273-F275 HydrophobicContact CB-CD2 4.46Å; L273-F275 HydrophobicContact CB-CE2 3.76Å; L273-F275 HydrophobicContact CB-CZ 4.11Å; L273-F275 HydrophobicContact CD1-CE2 4.19Å; L273-F275 HydrophobicContact CD1-CZ 3.99Å; L273-S368 CarbonylContact O-C 3.56Å; L273-S368 WeakPolarHBondContact O-CA 3.41Å; L273-I369 HydrophobicContact CB-CG2 4.14Å; L273-I369 PolarHBondContact N-O 3.33Å; L273-I369 PolarHBondContact O-N 2.88Å; L273-K371 HydrophobicContact CD1-CG 4.28Å; L273-K371 HydrophobicContact CD2-CB 4.19Å; L273-K371 HydrophobicContact CD2-CD 4.28Å; L273-K371 HydrophobicContact CD2-CG 4.08Å; L273-K371 HydrophobicContact CG-CB 4.02Å; L273-K371 HydrophobicContact CG-CG 4.17Å; L273-F374 HydrophobicContact CD1-CB 4.25Å; L273-F374 HydrophobicContact CD1-CD1 3.66Å; L273-F374 HydrophobicContact CD1-CE1 4.18Å; L273-F374 HydrophobicContact CD1-CG 4.01Å
274	T	98.9	Very high	98.6	Very high	1 Å²	1	23 Å²	23	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	108.6	172.6	-60.6	0	0	0	0	108.9	T187 S188 V189 I190 W286 F367 S368	T187-T274 PolarHBondContact OG1-OG1 3.4Å; S188-T274 PolarHBondContact O-N 2.81Å; V189-T274 CarbonylContact C-O 3.47Å; V189-T274 VanDerWaalsContact CA-O 3.25Å; V189-T274 WeakPolarHBondContact CA-O 3.43Å; V189-T274 HydrophobicContact CG2-CG2 4.48Å; I190-T274 PolarHBondContact N-O 3.36Å; T274-W286 HydrophobicContact CG2-CH2 3.69Å; T274-W286 HydrophobicContact CG2-CZ3 3.84Å; T274-F367 CarbonylContact C-O 3.47Å; T274-F367 WeakPolarHBondContact CA-O 3.41Å; T274-S368 WeakPolarHBondContact CB-OG 3.43Å; T274-S368 WeakPolarHBondContact CG2-OG 3.45Å; T274-S368 PolarHBondContact OG1-OG 2.7Å
275	F	98.9	Very high	98.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	134.9	177.9	-62	-84.7	0	0	0	110	I190 R261 A265 L273 L366 F367 I369 F374	I190-F275 HydrophobicContact CB-CD1 3.82Å; I190-F275 HydrophobicContact CB-CE1 3.96Å; I190-F275 HydrophobicContact CD1-CD1 4.28Å; I190-F275 HydrophobicContact CD1-CE1 3.61Å; I190-F275 HydrophobicContact CD1-CZ 3.94Å; I190-F275 HydrophobicContact CG1-CE1 4.4Å; I190-F275 HydrophobicContact CG2-CD1 3.97Å; I190-F275 HydrophobicContact CG2-CE1 3.98Å; I190-F275 WeakPolarHBondContact O-CA 3.27Å; R261-F275 HydrophobicContact CB-CD1 4.23Å; R261-F275 HydrophobicContact CB-CE1 3.79Å; R261-F275 HydrophobicContact CG-CD1 3.8Å; R261-F275 HydrophobicContact CG-CE1 3.9Å; A265-F275 HydrophobicContact CB-CZ 4.47Å; L273-F275 HydrophobicContact CB-CD2 4.46Å; L273-F275 HydrophobicContact CB-CE2 3.76Å; L273-F275 HydrophobicContact CB-CZ 4.11Å; L273-F275 HydrophobicContact CD1-CE2 4.19Å; L273-F275 HydrophobicContact CD1-CZ 3.99Å; F275-L366 VanDerWaalsContact O-CA 3.31Å; F275-L366 WeakPolarHBondContact O-CA 3.27Å; F275-F367 HydrophobicContact CB-CD1 4.07Å; F275-F367 HydrophobicContact CB-CE1 3.88Å; F275-F367 HydrophobicContact CB-CZ 4.45Å; F275-F367 HydrophobicContact CD2-CD1 4.14Å; F275-F367 HydrophobicContact CD2-CD2 4.17Å; F275-F367 AromaticContact CD2-CE1 3.52Å; F275-F367 HydrophobicContact CD2-CE1 3.52Å; F275-F367 AromaticContact CD2-CE2 3.56Å; F275-F367 HydrophobicContact CD2-CE2 3.56Å; F275-F367 HydrophobicContact CD2-CG 4.44Å; F275-F367 AromaticContact CD2-CZ 3.2Å; F275-F367 HydrophobicContact CD2-CZ 3.2Å; F275-F367 HydrophobicContact CE2-CE1 4.31Å; F275-F367 AromaticContact CE2-CE2 3.84Å; F275-F367 HydrophobicContact CE2-CE2 3.84Å; F275-F367 AromaticContact CE2-CZ 3.58Å; F275-F367 HydrophobicContact CE2-CZ 3.58Å; F275-F367 HydrophobicContact CG-CD1 4.48Å; F275-F367 AromaticContact CG-CE1 3.89Å; F275-F367 HydrophobicContact CG-CE1 3.89Å; F275-F367 HydrophobicContact CG-CZ 4Å; F275-F367 PolarHBondContact N-O 3.49Å; F275-F367 PolarHBondContact O-N 2.79Å; F275-I369 HydrophobicContact CE2-CG2 4.32Å; F275-F374 HydrophobicContact CZ-CZ 4.38Å
276	L	98.9	Very high	98.6	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.7	171.4	-66.8	178.2	0	0	0	109.4	V189 I190 I191 V208 W286 L366 V413	V189-L276 HydrophobicContact CG1-CD1 4Å; V189-L276 HydrophobicContact CG1-CG 4.4Å; I190-L276 PolarHBondContact O-N 3.34Å; I190-L276 VanDerWaalsContact O-N 3.08Å; I191-L276 WeakPolarHBondContact CA-O 3.45Å; I191-L276 HydrophobicContact CG1-CB 4.1Å; V208-L276 HydrophobicContact CG2-CD1 3.6Å; L276-W286 HydrophobicContact CD1-CH2 3.77Å; L276-W286 HydrophobicContact CD1-CZ2 4.35Å; L276-W286 HydrophobicContact CD1-CZ3 4.37Å; L276-W286 HydrophobicContact CD2-CH2 4.32Å; L276-W286 HydrophobicContact CD2-CZ3 4.11Å; L276-W286 HydrophobicContact CG-CH2 4.32Å; L276-L366 HydrophobicContact CD2-CB 4.16Å; L276-L366 HydrophobicContact CD2-CD2 3.78Å; L276-L366 HydrophobicContact CD2-CG 3.77Å; L276-V413 HydrophobicContact CD2-CG1 4.25Å
277	D	98.4	Very high	98.6	Very high	28 Å²	28	18.5 Å²	18.5	15%	0.15	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	160.6	169.3	-65.5	-21.9	0	0	0	110.3	R261 H279 C280 H415	R261-D277 IonicContact NH2-OD1 3.91Å; R261-D277 PolarHBondContact NH2-OD1 3.49Å; D277-H279 PolarHBondContact O-N 3.4Å; D277-H279 VanDerWaalsContact O-N 3.08Å; D277-C280 PolarHBondContact O-SG 3.4Å; D277-H415 IonicContact OD2-CD2 2.69Å; D277-H415 IonicContact OD2-NE2 3.76Å
278	A	98.5	Very high	98.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.008	9%	0.089	C	C	.	.	S	Bend	trans	-77.9	12.1	-171.4	0	0	0	0	0	115.4	I191 F193 E196 T200 L201 T204	I191-A278 HydrophobicContact CG2-CB 3.76Å; F193-A278 HydrophobicContact CB-CB 3.74Å; E196-A278 HydrophobicContact CB-CB 4.25Å; E196-A278 HydrophobicContact CG-CB 3.76Å; T200-A278 CarbonylContact C-O 3.52Å; T200-A278 VanDerWaalsContact C-O 3.25Å; L201-A278 VanDerWaalsContact CA-O 3.28Å; L201-A278 WeakPolarHBondContact CA-O 3.03Å; L201-A278 HydrophobicContact CD1-CB 3.89Å; L201-A278 PolarHBondContact N-O 3.19Å; T204-A278 PolarHBondContact OG1-O 3.3Å; T204-A278 VanDerWaalsContact OG1-O 3.07Å
279	H	98.6	Very high	98.7	Very high	23 Å²	23	16.4 Å²	16.4	11%	0.106	9%	0.088	C	C	.	.	S	Bend	trans	-141.1	54.1	-176.6	40	-83.8	0	0	0	109.6	E196 T200 T204 D277 H415 V416 R418	E196-H279 IonicContact OE2-CE1 3.16Å; E196-H279 IonicContact OE2-CG 3.83Å; E196-H279 IonicContact OE2-ND1 2.71Å; E196-H279 PolarHBondContact OE2-ND1 3.38Å; T200-H279 HydrophobicContact CG2-CB 4.49Å; T204-H279 PolarHBondContact OG1-N 2.76Å; D277-H279 PolarHBondContact O-N 3.4Å; D277-H279 VanDerWaalsContact O-N 3.08Å; H279-H415 AromaticContact CD2-CD2 3.82Å; H279-H415 AromaticContact CD2-NE2 3.48Å; H279-H415 PolarHBondContact CD2-NE2 2.72Å; H279-H415 AromaticContact NE2-NE2 3.26Å; H279-H415 PolarHBondContact NE2-NE2 2.73Å; H279-V416 HydrophobicContact CB-CB 4.25Å; H279-V416 HydrophobicContact CB-CG2 4.22Å; H279-V416 PolarHBondContact O-N 3.48Å; H279-V416 VanDerWaalsContact O-N 3.15Å; H279-R418 PolarHBondContact CE1-NH2 3.08Å; H279-R418 VanDerWaalsContact CG-NH2 3.33Å; H279-R418 PolarHBondContact ND1-NH2 2.89Å; H279-R418 PolarHBondContact NE2-NH2 2.97Å
280	C	98.9	Very high	98.7	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.007	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	153.2	-178	-70.3	0	0	0	0	112.1	T204 D277 V413 G414	T204-C280 VanDerWaalsContact CA-O 3.31Å; T204-C280 WeakPolarHBondContact CA-O 3.05Å; T204-C280 HydrophobicContact CG2-CB 4.05Å; T204-C280 PolarHBondContact OG1-N 2.9Å; T204-C280 PolarHBondContact OG1-O 2.72Å; D277-C280 PolarHBondContact O-SG 3.4Å; C280-V413 HydrophobicContact CB-CG1 3.97Å; C280-G414 CarbonylContact C-O 3.51Å; C280-G414 WeakPolarHBondContact CA-O 3.45Å; C280-G414 WeakPolarHBondContact CB-O 3.5Å
281	E	98.9	Very high	98.7	Very high	7 Å²	7	12 Å²	12	3%	0.033	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	117.8	169	-65.1	-176.9	-111.7	0	0	108.9	R162 L164 R203 I309 F316 G414	R162-E281 IonicContact CZ-OE1 2.95Å; R162-E281 IonicContact CZ-OE2 2.67Å; R162-E281 IonicContact NE-OE1 3.57Å; R162-E281 PolarHBondContact NE-OE1 2.75Å; R162-E281 IonicContact NE-OE2 3.34Å; R162-E281 PolarHBondContact NE-OE2 3.49Å; R162-E281 IonicContact NH2-OE1 3.03Å; R162-E281 PolarHBondContact NH2-OE1 3.09Å; R162-E281 IonicContact NH2-OE2 3.63Å; L164-E281 HydrophobicContact CD1-CB 4.37Å; R203-E281 HydrophobicContact CG-CG 4.12Å; E281-I309 HydrophobicContact CB-CD1 3.88Å; E281-I309 HydrophobicContact CG-CD1 3.84Å; E281-F316 HydrophobicContact CB-CD2 4.32Å; E281-F316 HydrophobicContact CB-CE2 4.16Å; E281-G414 PolarHBondContact N-O 2.89Å; E281-G414 PolarHBondContact O-N 2.59Å
282	C	98.9	Very high	98.7	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.007	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.8	-179.3	-61	0	0	0	0	111	S207 S211 W286	S207-C282 PolarHBondContact OG-N 2.85Å; S207-C282 PolarHBondContact OG-O 2.97Å; S211-C282 WeakPolarHBondContact OG-CB 3.3Å; C282-W286 HydrophobicContact CB-CD2 4.08Å; C282-W286 HydrophobicContact CB-CG 3.93Å; C282-W286 VanDerWaalsContact SG-CE2 3.59Å
283	F	98.7	Very high	98.7	Very high	1 Å²	1	11 Å²	11	0%	0.004	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-79.6	171	173.5	-150.3	-110.4	0	0	0	111.1	L164 D167 R169 W286 F316 P319 V412	L164-F283 HydrophobicContact CB-CD2 3.93Å; L164-F283 HydrophobicContact CB-CE2 3.73Å; L164-F283 HydrophobicContact CD1-CD2 3.63Å; L164-F283 HydrophobicContact CD1-CE2 4.29Å; L164-F283 HydrophobicContact CG-CD2 4.44Å; D167-F283 WeakPolarHBondContact OD1-CE1 3.26Å; R169-F283 HydrophobicContact CG-CD1 4.06Å; R169-F283 HydrophobicContact CG-CE1 3.99Å; F283-W286 WeakPolarHBondContact O-CB 3.5Å; F283-F316 AromaticContact CD2-CE1 3.89Å; F283-F316 HydrophobicContact CD2-CE1 3.89Å; F283-F316 AromaticContact CD2-CZ 3.96Å; F283-F316 HydrophobicContact CD2-CZ 3.96Å; F283-F316 HydrophobicContact CE2-CE1 4.27Å; F283-P319 HydrophobicContact CD1-CG 4.18Å; F283-P319 HydrophobicContact CE1-CG 3.76Å; F283-P319 HydrophobicContact CZ-CG 4.08Å; F283-V412 HydrophobicContact CB-CB 3.79Å; F283-V412 HydrophobicContact CB-CG1 4.13Å; F283-V412 WeakPolarHBondContact CB-O 3.39Å; F283-V412 HydrophobicContact CD1-CB 4.49Å; F283-V412 HydrophobicContact CG-CB 4.31Å; F283-V412 HydrophobicContact CG-CG1 4.47Å; F283-V412 PolarHBondContact N-O 2.99Å
284	Y	98.3	Very high	98.7	Very high	68 Å²	68	11.2 Å²	11.2	27%	0.267	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	138.5	179.1	-51.1	-72.3	0	0	0	111.2	R113 L164 G165 D167 R169 W286	R113-Y284 PolarHBondContact NH1-OH 3.12Å; L164-Y284 PolarHBondContact N-OH 3.21Å; G165-Y284 WeakPolarHBondContact O-CE2 3.16Å; G165-Y284 PolarHBondContact O-OH 3.17Å; D167-Y284 HydrophobicContact CB-CD2 3.99Å; R169-Y284 PolarHBondContact NE-O 3.42Å; R169-Y284 PolarHBondContact NH1-O 3.28Å; R169-Y284 VanDerWaalsContact NH1-O 3.14Å; R169-Y284 PolarHBondContact NH2-O 3.38Å; Y284-W286 VanDerWaalsContact C-N 3.25Å; Y284-W286 PolarHBondContact O-N 3.2Å
285	G	98.1	Very high	98.7	Very high	20 Å²	20	12.6 Å²	12.6	21%	0.206	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	30.1	176.2	0	0	0	0	0	114.5	R169 E288 P289	R169-G285 PolarHBondContact NH1-O 3.49Å; G285-E288 VanDerWaalsContact C-OE2 3.27Å; G285-E288 WeakPolarHBondContact CA-OE2 3.34Å; G285-P289 WeakPolarHBondContact O-CD 3.29Å
286	W	98.8	Very high	98.6	Very high	1 Å²	1	18.9 Å²	18.9	0%	0.004	10%	0.099	C	C	.	.			trans	-73.4	-29.9	-176	76.2	-74.7	0	0	0	113.1	V208 S211 T274 L276 C282 F283 Y284 L290 S411 V413	V208-W286 HydrophobicContact CG2-CZ2 4.49Å; S211-W286 PolarHBondContact OG-NE1 3.42Å; T274-W286 HydrophobicContact CG2-CH2 3.69Å; T274-W286 HydrophobicContact CG2-CZ3 3.84Å; L276-W286 HydrophobicContact CD1-CH2 3.77Å; L276-W286 HydrophobicContact CD1-CZ2 4.35Å; L276-W286 HydrophobicContact CD1-CZ3 4.37Å; L276-W286 HydrophobicContact CD2-CH2 4.32Å; L276-W286 HydrophobicContact CD2-CZ3 4.11Å; L276-W286 HydrophobicContact CG-CH2 4.32Å; C282-W286 HydrophobicContact CB-CD2 4.08Å; C282-W286 HydrophobicContact CB-CG 3.93Å; C282-W286 VanDerWaalsContact SG-CE2 3.59Å; F283-W286 WeakPolarHBondContact O-CB 3.5Å; Y284-W286 VanDerWaalsContact C-N 3.25Å; Y284-W286 PolarHBondContact O-N 3.2Å; W286-L290 HydrophobicContact CE3-CD1 4.03Å; W286-L290 HydrophobicContact CZ3-CD1 4.08Å; W286-S411 WeakPolarHBondContact O-CB 3.19Å; W286-S411 PolarHBondContact O-OG 2.84Å; W286-V413 HydrophobicContact CB-CG2 4.27Å; W286-V413 HydrophobicContact CD2-CG2 3.96Å; W286-V413 HydrophobicContact CE3-CG2 3.41Å; W286-V413 VanDerWaalsContact CE3-CG2 3.41Å; W286-V413 HydrophobicContact CG-CG2 4.33Å; W286-V413 HydrophobicContact CZ3-CG2 4.06Å
287	L	98.9	Very high	98.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-87.4	-40.5	-166	-176	58.6	0	0	0	112.2	T187 L216 L290 L291	T187-L287 HydrophobicContact CG2-CD1 4.13Å; T187-L287 HydrophobicContact CG2-CD2 4.03Å; L216-L287 HydrophobicContact CB-CD2 4.3Å; L287-L290 WeakPolarHBondContact O-CB 3.13Å; L287-L290 PolarHBondContact O-N 3.39Å; L287-L290 VanDerWaalsContact O-N 3.16Å; L287-L291 HydrophobicContact CD1-CD1 3.84Å; L287-L291 HydrophobicContact CD1-CD2 4.28Å; L287-L291 HydrophobicContact CD1-CG 3.89Å; L287-L291 HydrophobicContact CD2-CD1 3.99Å; L287-L291 HydrophobicContact CG-CD1 3.61Å; L287-L291 HydrophobicContact CG-CG 4.02Å; L287-L291 WeakPolarHBondContact O-CG 3.45Å; L287-L291 PolarHBondContact O-N 2.99Å; L287-L291 VanDerWaalsContact O-N 3.1Å
288	E	98.8	Very high	98.5	Very high	20 Å²	20	21.6 Å²	21.6	9%	0.093	11%	0.109	C	C	.	.	H	α-helix	trans	-60.4	-43.3	-173.4	-54	94	131.1	0	0	113.2	L107 F178 P213 L216 G285 L290 L291 A292	L107-E288 HydrophobicContact CD1-CG 4.48Å; L107-E288 HydrophobicContact CD2-CG 4.42Å; F178-E288 HydrophobicContact CD1-CB 4.22Å; F178-E288 HydrophobicContact CD2-CB 3.69Å; F178-E288 HydrophobicContact CD2-CG 4.25Å; F178-E288 HydrophobicContact CE1-CB 3.88Å; F178-E288 HydrophobicContact CE2-CB 3.31Å; F178-E288 HydrophobicContact CE2-CG 4.05Å; F178-E288 HydrophobicContact CG-CB 4.14Å; F178-E288 HydrophobicContact CZ-CB 3.42Å; F178-E288 VanDerWaalsContact CZ-CB 3.42Å; P213-E288 HydrophobicContact CG-CG 4Å; P213-E288 WeakPolarHBondContact CG-OE1 3.11Å; L216-E288 HydrophobicContact CD1-CG 4.08Å; G285-E288 VanDerWaalsContact C-OE2 3.27Å; G285-E288 WeakPolarHBondContact CA-OE2 3.34Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.33Å; E288-L291 PolarHBondContact O-N 2.96Å; E288-A292 WeakPolarHBondContact O-CB 3.27Å; E288-A292 PolarHBondContact O-N 3.33Å
289	P	98.9	Very high	98.4	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.013	11%	0.111	C	C	.	.	H	α-helix	trans	-60.8	-35.9	176.2	-22.9	33.9	0	0	0	113.3	F178 G285 R293 M408 C410	F178-P289 HydrophobicContact CE1-CG 4.43Å; F178-P289 HydrophobicContact CZ-CG 4.07Å; G285-P289 WeakPolarHBondContact O-CD 3.29Å; P289-R293 WeakPolarHBondContact O-CB 3.27Å; P289-R293 PolarHBondContact O-N 3.31Å; P289-R293 VanDerWaalsContact O-N 3.16Å; P289-M408 HydrophobicContact CB-CB 4.44Å; P289-M408 HydrophobicContact CB-CE 4.44Å; P289-C410 HydrophobicContact CB-CB 4.31Å; P289-C410 HydrophobicContact CG-CB 3.95Å
290	L	98.9	Very high	98.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.5	-51.6	178.3	-56.7	178.4	0	0	0	110.3	W286 L287 E288 R293 I294 V302 M408 S411	W286-L290 HydrophobicContact CE3-CD1 4.03Å; W286-L290 HydrophobicContact CZ3-CD1 4.08Å; L287-L290 WeakPolarHBondContact O-CB 3.13Å; L287-L290 PolarHBondContact O-N 3.39Å; L287-L290 VanDerWaalsContact O-N 3.16Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.33Å; L290-R293 PolarHBondContact O-N 3.34Å; L290-I294 WeakPolarHBondContact O-CG1 3.17Å; L290-I294 PolarHBondContact O-N 3.24Å; L290-I294 VanDerWaalsContact O-N 3.14Å; L290-V302 HydrophobicContact CB-CG2 3.83Å; L290-V302 HydrophobicContact CD2-CB 4.17Å; L290-V302 HydrophobicContact CD2-CG2 3.94Å; L290-V302 HydrophobicContact CG-CG2 4.47Å; L290-M408 HydrophobicContact CD2-CB 3.9Å; L290-M408 HydrophobicContact CD2-CG 3.82Å; L290-S411 WeakPolarHBondContact CD1-OG 3.21Å; L290-S411 WeakPolarHBondContact CG-OG 3.38Å
291	L	98.9	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-69.5	-36.2	-176.6	-59.7	-175.2	0	0	0	112.1	P185 T187 L216 T272 L287 E288 R293 I294 A295	P185-L291 WeakPolarHBondContact CD-O 3.29Å; P185-L291 HydrophobicContact CG-CB 4.12Å; P185-L291 HydrophobicContact CG-CD2 4.44Å; P185-L291 WeakPolarHBondContact O-CD1 3.39Å; T187-L291 HydrophobicContact CG2-CD1 4.34Å; L216-L291 HydrophobicContact CB-CD1 4.02Å; L216-L291 HydrophobicContact CD1-CD1 4.08Å; L216-L291 HydrophobicContact CG-CD1 4.48Å; T272-L291 HydrophobicContact CG2-CD2 4.22Å; T272-L291 VanDerWaalsContact OG1-CD2 3.27Å; T272-L291 WeakPolarHBondContact OG1-CD2 3.17Å; L287-L291 HydrophobicContact CD1-CD1 3.84Å; L287-L291 HydrophobicContact CD1-CD2 4.28Å; L287-L291 HydrophobicContact CD1-CG 3.89Å; L287-L291 HydrophobicContact CD2-CD1 3.99Å; L287-L291 HydrophobicContact CG-CD1 3.61Å; L287-L291 HydrophobicContact CG-CG 4.02Å; L287-L291 WeakPolarHBondContact O-CG 3.45Å; L287-L291 PolarHBondContact O-N 2.99Å; L287-L291 VanDerWaalsContact O-N 3.1Å; E288-L291 PolarHBondContact O-N 2.96Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.3Å; L291-I294 PolarHBondContact O-N 2.92Å; L291-A295 WeakPolarHBondContact O-CB 3.27Å; L291-A295 PolarHBondContact O-N 2.96Å
292	A	98.8	Very high	98.4	Very high	15 Å²	15	20.4 Å²	20.4	12%	0.124	10%	0.104	C	C	.	.	H	α-helix	trans	-60.7	-43.5	173.5	0	0	0	0	0	111.3	F178 L184 E288 I294 A295 E296	F178-A292 HydrophobicContact CD1-CB 3.61Å; F178-A292 HydrophobicContact CE1-CB 3.98Å; L184-A292 VanDerWaalsContact CD2-CA 3.44Å; L184-A292 HydrophobicContact CD2-CB 3.64Å; E288-A292 WeakPolarHBondContact O-CB 3.27Å; E288-A292 PolarHBondContact O-N 3.33Å; A292-I294 PolarHBondContact O-N 3.39Å; A292-A295 WeakPolarHBondContact O-CB 3.42Å; A292-A295 PolarHBondContact O-N 3.44Å; A292-E296 WeakPolarHBondContact O-CG 3.44Å; A292-E296 PolarHBondContact O-N 3.44Å
293	R	98.7	Very high	98.4	Very high	40 Å²	40	20.6 Å²	20.6	15%	0.151	11%	0.105	C	C	.	.	H	α-helix	trans	-65.7	-39	179.7	-177.7	56.2	-176.2	150.7	5.2	112.4	P289 L290 L291 E296 N297 A300 V302 E406 M408	P289-R293 WeakPolarHBondContact O-CB 3.27Å; P289-R293 PolarHBondContact O-N 3.31Å; P289-R293 VanDerWaalsContact O-N 3.16Å; L290-R293 PolarHBondContact O-N 3.34Å; L291-R293 VanDerWaalsContact C-N 3.32Å; L291-R293 PolarHBondContact O-N 3.3Å; R293-E296 IonicContact NH1-OE2 3.48Å; R293-E296 PolarHBondContact O-N 3Å; R293-N297 PolarHBondContact O-N 3.19Å; R293-A300 HydrophobicContact CG-CB 4.4Å; R293-V302 HydrophobicContact CB-CG1 4.02Å; R293-V302 HydrophobicContact CG-CG1 3.55Å; R293-E406 WeakPolarHBondContact CG-OE2 3.3Å; R293-E406 IonicContact CZ-OE1 3.57Å; R293-E406 IonicContact CZ-OE2 2.72Å; R293-E406 IonicContact NE-OE1 3.52Å; R293-E406 IonicContact NE-OE2 2.78Å; R293-E406 PolarHBondContact NE-OE2 3.01Å; R293-E406 IonicContact NH2-OE1 2.79Å; R293-E406 PolarHBondContact NH2-OE1 2.8Å; R293-E406 IonicContact NH2-OE2 2.73Å; R293-E406 PolarHBondContact NH2-OE2 2.86Å; R293-M408 HydrophobicContact CB-CE 4.37Å; R293-M408 HydrophobicContact CB-SD 4.17Å; R293-M408 HydrophobicContact CG-SD 4.05Å
294	I	98.8	Very high	98.4	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-66.9	-37.5	173.7	-63.5	166.3	0	0	0	111.1	T272 L290 L291 A292 E296 N297 Y298 V302	T272-I294 HydrophobicContact CG2-CB 4.49Å; T272-I294 HydrophobicContact CG2-CD1 4.05Å; T272-I294 HydrophobicContact CG2-CG2 3.87Å; L290-I294 WeakPolarHBondContact O-CG1 3.17Å; L290-I294 PolarHBondContact O-N 3.24Å; L290-I294 VanDerWaalsContact O-N 3.14Å; L291-I294 PolarHBondContact O-N 2.92Å; A292-I294 PolarHBondContact O-N 3.39Å; I294-E296 VanDerWaalsContact C-N 3.3Å; I294-E296 PolarHBondContact O-N 3.46Å; I294-N297 CarbonylContact O-C 3.25Å; I294-N297 PolarHBondContact O-N 3.02Å; I294-Y298 VanDerWaalsContact O-CA 3.25Å; I294-Y298 WeakPolarHBondContact O-CA 3.48Å; I294-Y298 PolarHBondContact O-N 2.89Å; I294-Y298 VanDerWaalsContact O-N 3.09Å; I294-V302 HydrophobicContact CD1-CG2 3.8Å; I294-V302 HydrophobicContact CG1-CG2 3.82Å
295	A	97.9	Very high	98.4	Very high	30 Å²	30	19 Å²	19	25%	0.248	10%	0.102	C	C	.	.	H	α-helix	trans	-62	-38.4	176.2	0	0	0	0	0	112.1	P182 L291 A292	P182-A295 HydrophobicContact CB-CB 4.38Å; P182-A295 HydrophobicContact CG-CB 4Å; P182-A295 WeakPolarHBondContact CG-O 3.36Å; L291-A295 WeakPolarHBondContact O-CB 3.27Å; L291-A295 PolarHBondContact O-N 2.96Å; A292-A295 WeakPolarHBondContact O-CB 3.42Å; A292-A295 PolarHBondContact O-N 3.44Å
296	E	97.3	Very high	98.4	Very high	131 Å²	131	19.1 Å²	19.1	61%	0.612	10%	0.098	S	C	*	.	H	α-helix	trans	-74.1	-38.1	175.4	-69.3	179.3	171.4	0	0	112.9	A292 R293 I294	A292-E296 WeakPolarHBondContact O-CG 3.44Å; A292-E296 PolarHBondContact O-N 3.44Å; R293-E296 IonicContact NH1-OE2 3.48Å; R293-E296 PolarHBondContact O-N 3Å; I294-E296 VanDerWaalsContact C-N 3.3Å; I294-E296 PolarHBondContact O-N 3.46Å
297	N	97.6	Very high	98.3	Very high	31 Å²	31	19.6 Å²	19.6	17%	0.166	10%	0.102	C	C	.	.			trans	-141.6	96.5	-179.7	-174.7	10.1	0	0	0	110.8	R293 I294 T299 A300 Q404	R293-N297 PolarHBondContact O-N 3.19Å; I294-N297 CarbonylContact O-C 3.25Å; I294-N297 PolarHBondContact O-N 3.02Å; N297-T299 PolarHBondContact O-N 2.64Å; N297-T299 VanDerWaalsContact O-N 3.1Å; N297-T299 PolarHBondContact OD1-N 2.83Å; N297-T299 PolarHBondContact OD1-OG1 2.89Å; N297-A300 HydrophobicContact CB-CB 4.18Å; N297-A300 WeakPolarHBondContact O-CB 3.42Å; N297-A300 PolarHBondContact O-N 2.84Å; N297-Q404 PolarHBondContact ND2-OE1 2.92Å; N297-Q404 VanDerWaalsContact ND2-OE1 3.12Å
298	Y	96.4	Very high	98.3	Very high	56 Å²	56	21.5 Å²	21.5	22%	0.22	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.1	-173.8	82.3	-85.7	0	0	0	114.2	P85 I294 A300 Y373	P85-Y298 VanDerWaalsContact C-OH 3.24Å; P85-Y298 WeakPolarHBondContact CA-OH 3.32Å; P85-Y298 WeakPolarHBondContact CB-OH 3.34Å; P85-Y298 WeakPolarHBondContact CD-OH 3.27Å; P85-Y298 WeakPolarHBondContact CG-OH 3.42Å; P85-Y298 PolarHBondContact O-OH 3.03Å; I294-Y298 VanDerWaalsContact O-CA 3.25Å; I294-Y298 WeakPolarHBondContact O-CA 3.48Å; I294-Y298 PolarHBondContact O-N 2.89Å; I294-Y298 VanDerWaalsContact O-N 3.09Å; Y298-A300 VanDerWaalsContact C-N 3.34Å; Y298-Y373 HydrophobicContact CD2-CD2 4.49Å; Y298-Y373 HydrophobicContact CE2-CD2 4.18Å; Y298-Y373 WeakPolarHBondContact O-CB 3.5Å
299	T	98.2	Very high	98.3	Very high	7 Å²	7	20.6 Å²	20.6	4%	0.043	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	1.8	174.1	72.1	0	0	0	0	113	P85 N297 Y373 G403 Q404	P85-T299 HydrophobicContact CG-CG2 4.35Å; N297-T299 PolarHBondContact O-N 2.64Å; N297-T299 VanDerWaalsContact O-N 3.1Å; N297-T299 PolarHBondContact OD1-N 2.83Å; N297-T299 PolarHBondContact OD1-OG1 2.89Å; T299-Y373 HydrophobicContact CG2-CD2 4.04Å; T299-Y373 HydrophobicContact CG2-CE2 3.78Å; T299-Y373 VanDerWaalsContact O-CE1 3.29Å; T299-Y373 WeakPolarHBondContact O-CE1 3.11Å; T299-G403 WeakPolarHBondContact O-CA 3.21Å; T299-Q404 PolarHBondContact O-N 3.24Å
300	A	98.7	Very high	98.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	130	173.3	0	0	0	0	0	110.2	R293 N297 Y298 V302 Q404	R293-A300 HydrophobicContact CG-CB 4.4Å; N297-A300 HydrophobicContact CB-CB 4.18Å; N297-A300 WeakPolarHBondContact O-CB 3.42Å; N297-A300 PolarHBondContact O-N 2.84Å; Y298-A300 VanDerWaalsContact C-N 3.34Å; A300-V302 HydrophobicContact CB-CG1 3.95Å; A300-Q404 WeakPolarHBondContact CA-O 3.41Å
301	V	98.9	Very high	98.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	113.5	169.9	-175.4	0	0	0	0	106.3	F362 F367 I369 Y373 M394 V398 Q404 L405 E406	V301-F362 HydrophobicContact CG1-CE2 4.33Å; V301-F367 HydrophobicContact CG1-CD2 3.68Å; V301-F367 HydrophobicContact CG1-CE2 4.21Å; V301-F367 HydrophobicContact CG1-CG 4.45Å; V301-I369 HydrophobicContact CB-CD1 4.49Å; V301-I369 HydrophobicContact CG1-CB 4.43Å; V301-I369 HydrophobicContact CG1-CD1 4.35Å; V301-I369 HydrophobicContact CG2-CD1 3.49Å; V301-I369 VanDerWaalsContact CG2-CD1 3.49Å; V301-I369 HydrophobicContact CG2-CG1 3.9Å; V301-Y373 HydrophobicContact CG2-CD1 4.42Å; V301-Y373 HydrophobicContact CG2-CE1 4.1Å; V301-M394 HydrophobicContact CG1-CE 4.32Å; V301-V398 HydrophobicContact CG2-CG1 3.92Å; V301-V398 HydrophobicContact CG2-CG2 3.86Å; V301-Q404 PolarHBondContact N-O 3.42Å; V301-L405 HydrophobicContact CB-CD1 3.66Å; V301-L405 HydrophobicContact CG1-CD1 3.72Å; V301-L405 WeakPolarHBondContact O-CA 3.36Å; V301-E406 PolarHBondContact O-N 2.94Å
302	V	98.8	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131	-163.5	-61.8	0	0	0	0	110.7	L290 R293 I294 A300 F367 S368 E406 M408	L290-V302 HydrophobicContact CB-CG2 3.83Å; L290-V302 HydrophobicContact CD2-CB 4.17Å; L290-V302 HydrophobicContact CD2-CG2 3.94Å; L290-V302 HydrophobicContact CG-CG2 4.47Å; R293-V302 HydrophobicContact CB-CG1 4.02Å; R293-V302 HydrophobicContact CG-CG1 3.55Å; I294-V302 HydrophobicContact CD1-CG2 3.8Å; I294-V302 HydrophobicContact CG1-CG2 3.82Å; A300-V302 HydrophobicContact CB-CG1 3.95Å; V302-F367 CarbonylContact O-C 3.53Å; V302-F367 VanDerWaalsContact O-CA 3.31Å; V302-F367 WeakPolarHBondContact O-CA 3.31Å; V302-F367 WeakPolarHBondContact O-CB 3.45Å; V302-S368 PolarHBondContact N-O 3.18Å; V302-S368 PolarHBondContact O-N 2.83Å; V302-E406 CarbonylContact C-O 3.52Å; V302-E406 WeakPolarHBondContact CA-O 3.23Å; V302-E406 HydrophobicContact CG1-CB 4.35Å; V302-M408 HydrophobicContact CB-CG 4.27Å
303	S	98.8	Very high	98.1	Very high	5 Å²	5	28.6 Å²	28.6	4%	0.035	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	147.5	-179.8	-51	0	0	0	0	110	E406 I407 M408	S303-E406 PolarHBondContact N-O 2.78Å; S303-I407 CarbonylContact O-C 3.58Å; S303-I407 WeakPolarHBondContact O-CA 3.13Å; S303-M408 PolarHBondContact O-N 3.46Å
304	P	98.8	Very high	98.1	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.019	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	159.4	164.8	31.5	-34.5	0	0	0	110.1	I306 L366 S411 V413	P304-I306 HydrophobicContact CG-CG1 4.33Å; P304-I306 PolarHBondContact O-N 2.82Å; P304-L366 WeakPolarHBondContact CD-O 3.32Å; P304-L366 HydrophobicContact CG-CB 3.84Å; P304-L366 HydrophobicContact CG-CD2 4.14Å; P304-S411 CarbonylContact C-O 3.56Å; P304-S411 VanDerWaalsContact CA-O 3.28Å; P304-S411 WeakPolarHBondContact CA-O 3.36Å; P304-S411 WeakPolarHBondContact CB-O 3.32Å; P304-S411 WeakPolarHBondContact CB-OG 3.28Å; P304-V413 HydrophobicContact CB-CB 4.15Å; P304-V413 HydrophobicContact CB-CG2 3.76Å; P304-V413 HydrophobicContact CG-CB 4.04Å; P304-V413 HydrophobicContact CG-CG2 3.87Å
305	D	98	Very high	98	Very high	34 Å²	34	30.7 Å²	30.7	18%	0.182	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	117.6	157.3	-170.8	13.9	0	0	0	108.8	A307 H326 I407 S411 V412 V413	D305-A307 PolarHBondContact O-N 2.7Å; D305-H326 IonicContact OD2-ND1 3.36Å; D305-I407 HydrophobicContact CB-CG2 4.21Å; D305-S411 PolarHBondContact N-O 3.43Å; D305-V412 WeakPolarHBondContact O-CA 3.48Å; D305-V413 PolarHBondContact O-N 2.75Å
306	I	98.1	Very high	98.1	Very high	22 Å²	22	29.5 Å²	29.5	11%	0.113	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	106	-168.5	-54.8	175.5	0	0	0	108.8	P304 W339 A363 L366 V413 H415 F417	P304-I306 HydrophobicContact CG-CG1 4.33Å; P304-I306 PolarHBondContact O-N 2.82Å; I306-W339 HydrophobicContact CD1-CH2 4.47Å; I306-W339 HydrophobicContact CD1-CZ2 4.46Å; I306-A363 HydrophobicContact CD1-CB 3.86Å; I306-L366 HydrophobicContact CD1-CB 4.36Å; I306-L366 HydrophobicContact CD1-CD1 4.39Å; I306-V413 CarbonylContact C-O 3.59Å; I306-V413 WeakPolarHBondContact CA-O 3.46Å; I306-H415 HydrophobicContact CG2-CB 3.67Å; I306-F417 HydrophobicContact CB-CZ 4.45Å; I306-F417 HydrophobicContact CG2-CE2 3.95Å; I306-F417 HydrophobicContact CG2-CZ 3.58Å
307	A	97.2	Very high	98.1	Very high	11 Å²	11	27.5 Å²	27.5	9%	0.091	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	147.5	173.6	0	0	0	0	0	110.8	D305 F316 N317 V412 V413 G414 H415	D305-A307 PolarHBondContact O-N 2.7Å; A307-F316 HydrophobicContact CB-CE1 3.74Å; A307-F316 HydrophobicContact CB-CZ 3.76Å; A307-N317 WeakPolarHBondContact CB-O 3.48Å; A307-V412 HydrophobicContact CB-CG1 3.87Å; A307-V413 PolarHBondContact N-O 3.17Å; A307-G414 CarbonylContact O-C 3.45Å; A307-G414 VanDerWaalsContact O-CA 3.29Å; A307-G414 WeakPolarHBondContact O-CA 3.22Å; A307-H415 PolarHBondContact O-N 2.81Å
308	S	97.4	Very high	98	Very high	39 Å²	39	29.5 Å²	29.5	27%	0.273	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131.7	172.4	-174.7	0	0	0	0	110.5	N317	S308-N317 WeakPolarHBondContact O-CB 3.4Å; S308-N317 PolarHBondContact O-N 3.25Å
309	I	98.7	Very high	97.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	118.1	160.7	-58.8	169.8	0	0	0	106.5	E281 L311 F314 E315 F316 H415 V416	E281-I309 HydrophobicContact CB-CD1 3.88Å; E281-I309 HydrophobicContact CG-CD1 3.84Å; I309-L311 PolarHBondContact O-N 2.9Å; I309-F314 HydrophobicContact CG2-CB 4.37Å; I309-F314 HydrophobicContact CG2-CD1 4.02Å; I309-F314 HydrophobicContact CG2-CG 4.39Å; I309-E315 CarbonylContact C-O 3.58Å; I309-E315 WeakPolarHBondContact CA-O 3.28Å; I309-F316 HydrophobicContact CD1-CD2 4.16Å; I309-F316 HydrophobicContact CD1-CE2 4.46Å; I309-F316 HydrophobicContact CG1-CD2 3.8Å; I309-F316 HydrophobicContact CG1-CE2 4.32Å; I309-H415 PolarHBondContact N-O 3.46Å; I309-V416 HydrophobicContact CB-CG2 3.91Å; I309-V416 HydrophobicContact CD1-CG2 4.36Å; I309-V416 HydrophobicContact CG2-CG2 3.84Å
310	D	98.4	Very high	97.6	Very high	48 Å²	48	29.7 Å²	29.7	26%	0.257	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-62.3	124.8	-176.5	177.9	-99.3	0	0	0	111.1	N312 T313 F314 E315	D310-N312 PolarHBondContact O-N 3.12Å; D310-N312 VanDerWaalsContact O-N 3.11Å; D310-N312 WeakPolarHBondContact OD1-CA 3.42Å; D310-N312 WeakPolarHBondContact OD1-CB 3.35Å; D310-N312 PolarHBondContact OD1-N 3.48Å; D310-T313 WeakPolarHBondContact CB-OG1 3.1Å; D310-T313 WeakPolarHBondContact OD1-CB 3.43Å; D310-T313 PolarHBondContact OD1-N 3.45Å; D310-T313 PolarHBondContact OD1-OG1 3.49Å; D310-F314 VanDerWaalsContact O-CA 3.22Å; D310-F314 WeakPolarHBondContact O-CA 3.45Å; D310-F314 PolarHBondContact O-N 2.72Å; D310-E315 HydrophobicContact CB-CB 4.31Å; D310-E315 PolarHBondContact N-O 2.59Å
311	L	97.4	Very high	97.2	Very high	34 Å²	34	32.3 Å²	32.3	18%	0.178	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.3	-174.8	69.3	128.1	0	0	0	114.3	F150 N151 I309 V416 F417	F150-L311 HydrophobicContact CB-CB 3.86Å; N151-L311 WeakPolarHBondContact CB-O 3.05Å; N151-L311 PolarHBondContact N-O 3.35Å; I309-L311 PolarHBondContact O-N 2.9Å; L311-V416 HydrophobicContact CB-CG1 4.06Å; L311-F417 WeakPolarHBondContact CD2-O 3.42Å
312	N	97	Very high	96.6	Very high	75 Å²	75	42.5 Å²	42.5	40%	0.401	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-35.9	-175.5	-58.4	-63.1	0	0	0	112.4	N151 D310	N151-N312 WeakPolarHBondContact CB-O 3.5Å; N151-N312 PolarHBondContact ND2-O 3.04Å; D310-N312 PolarHBondContact O-N 3.12Å; D310-N312 VanDerWaalsContact O-N 3.11Å; D310-N312 WeakPolarHBondContact OD1-CA 3.42Å; D310-N312 WeakPolarHBondContact OD1-CB 3.35Å; D310-N312 PolarHBondContact OD1-N 3.48Å
313	T	98.2	Very high	95.3	Very high	29 Å²	29	43.5 Å²	43.5	18%	0.178	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-11.3	-171.1	63.3	0	0	0	0	113.5	F128 D310 E315	F128-T313 PolarHBondContact N-O 2.89Å; D310-T313 WeakPolarHBondContact CB-OG1 3.1Å; D310-T313 WeakPolarHBondContact OD1-CB 3.43Å; D310-T313 PolarHBondContact OD1-N 3.45Å; D310-T313 PolarHBondContact OD1-OG1 3.49Å; T313-E315 PolarHBondContact O-N 2.84Å; T313-E315 PolarHBondContact OG1-N 2.66Å
314	F	98.6	Very high	94	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	24%	0.244	C	C	.	.			trans	57.1	24.9	-174.5	-79.3	-105.8	0	0	0	113.7	F150 N151 A154 I158 R162 T200 I309 D310 F316 V416	F150-F314 HydrophobicContact CD2-CE2 4.03Å; F150-F314 AromaticContact CD2-CZ 3.68Å; F150-F314 HydrophobicContact CD2-CZ 3.68Å; F150-F314 HydrophobicContact CE2-CZ 4Å; F150-F314 HydrophobicContact CG-CZ 4.45Å; N151-F314 VanDerWaalsContact O-CE2 3.29Å; N151-F314 WeakPolarHBondContact O-CE2 3.04Å; A154-F314 HydrophobicContact CB-CD2 4.13Å; I158-F314 HydrophobicContact CD1-CB 3.42Å; I158-F314 VanDerWaalsContact CD1-CB 3.42Å; I158-F314 HydrophobicContact CD1-CG 3.99Å; R162-F314 PolarHBondContact NH1-O 3.35Å; R162-F314 PolarHBondContact NH2-O 3.09Å; T200-F314 HydrophobicContact CG2-CE1 3.91Å; T200-F314 HydrophobicContact CG2-CZ 4.06Å; I309-F314 HydrophobicContact CG2-CB 4.37Å; I309-F314 HydrophobicContact CG2-CD1 4.02Å; I309-F314 HydrophobicContact CG2-CG 4.39Å; D310-F314 VanDerWaalsContact O-CA 3.22Å; D310-F314 WeakPolarHBondContact O-CA 3.45Å; D310-F314 PolarHBondContact O-N 2.72Å; F314-F316 PolarHBondContact O-N 3.41Å; F314-V416 HydrophobicContact CE1-CG2 3.97Å; F314-V416 HydrophobicContact CZ-CG2 4.41Å
315	E	98.8	Very high	93.2	Very high	87 Å²	87	52.7 Å²	52.7	41%	0.407	28%	0.283	S	S	.	.			trans	-64.3	130.3	167.9	-172.7	163.5	-148.6	0	0	109.7	G125 A127 I309 D310 T313	G125-E315 WeakPolarHBondContact O-CA 3.47Å; A127-E315 HydrophobicContact CB-CB 3.91Å; A127-E315 HydrophobicContact CB-CG 4.27Å; I309-E315 CarbonylContact C-O 3.58Å; I309-E315 WeakPolarHBondContact CA-O 3.28Å; D310-E315 HydrophobicContact CB-CB 4.31Å; D310-E315 PolarHBondContact N-O 2.59Å; T313-E315 PolarHBondContact O-N 2.84Å; T313-E315 PolarHBondContact OG1-N 2.66Å
316	F	98.6	Very high	92.9	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.022	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-92.6	119.3	175.7	-170.9	-72.8	0	0	0	109.1	G125 L164 E281 F283 A307 I309 F314 K318 V412 G414	G125-F316 PolarHBondContact O-N 2.95Å; L164-F316 HydrophobicContact CD1-CD2 3.85Å; L164-F316 HydrophobicContact CD1-CE2 3.6Å; L164-F316 HydrophobicContact CD1-CG 4.42Å; L164-F316 HydrophobicContact CD1-CZ 4Å; L164-F316 HydrophobicContact CD2-CB 4.15Å; L164-F316 HydrophobicContact CD2-CD2 3.79Å; L164-F316 HydrophobicContact CD2-CE2 4.4Å; L164-F316 HydrophobicContact CD2-CG 4.03Å; L164-F316 HydrophobicContact CG-CD2 4.46Å; E281-F316 HydrophobicContact CB-CD2 4.32Å; E281-F316 HydrophobicContact CB-CE2 4.16Å; F283-F316 AromaticContact CD2-CE1 3.89Å; F283-F316 HydrophobicContact CD2-CE1 3.89Å; F283-F316 AromaticContact CD2-CZ 3.96Å; F283-F316 HydrophobicContact CD2-CZ 3.96Å; F283-F316 HydrophobicContact CE2-CE1 4.27Å; A307-F316 HydrophobicContact CB-CE1 3.74Å; A307-F316 HydrophobicContact CB-CZ 3.76Å; I309-F316 HydrophobicContact CD1-CD2 4.16Å; I309-F316 HydrophobicContact CD1-CE2 4.46Å; I309-F316 HydrophobicContact CG1-CD2 3.8Å; I309-F316 HydrophobicContact CG1-CE2 4.32Å; F314-F316 PolarHBondContact O-N 3.41Å; F316-K318 HydrophobicContact CD1-CG 3.92Å; F316-K318 PolarHBondContact O-N 3.4Å; F316-V412 HydrophobicContact CE1-CG1 4.43Å; F316-V412 HydrophobicContact CZ-CG1 4.25Å; F316-G414 VanDerWaalsContact CE2-CA 3.41Å
317	N	96.9	Very high	92.7	Very high	90 Å²	90	53.9 Å²	53.9	48%	0.481	29%	0.289	S	S	.	.			trans	-74.3	95.6	174.1	-73.8	-17.4	0	0	0	110.2	A307 S308	A307-N317 WeakPolarHBondContact CB-O 3.48Å; S308-N317 WeakPolarHBondContact O-CB 3.4Å; S308-N317 PolarHBondContact O-N 3.25Å
318	K	95.9	Very high	92.7	Very high	73 Å²	73	53.8 Å²	53.8	32%	0.317	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-69.6	150.1	-174.8	-60.2	-172.9	-170.1	-171	0	112.3	S124 L164 F316	S124-K318 VanDerWaalsContact O-CE 3.22Å; S124-K318 WeakPolarHBondContact O-CE 3.33Å; S124-K318 PolarHBondContact O-NZ 3.37Å; L164-K318 WeakPolarHBondContact O-CE 3.39Å; L164-K318 PolarHBondContact O-NZ 2.95Å; F316-K318 HydrophobicContact CD1-CG 3.92Å; F316-K318 PolarHBondContact O-N 3.4Å
319	P	94.4	Very high	92.7	Very high	21 Å²	21	51.9 Å²	51.9	14%	0.136	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-62.4	152.6	172.3	27.7	-34.1	0	0	0	110.9	T168 R169 F283 V412	T168-P319 VanDerWaalsContact CB-O 3.25Å; T168-P319 WeakPolarHBondContact CB-O 3.46Å; T168-P319 CarbonylContact O-C 3.51Å; T168-P319 VanDerWaalsContact O-O 3.07Å; T168-P319 PolarHBondContact OG1-O 2.8Å; R169-P319 HydrophobicContact CG-CB 4.19Å; R169-P319 HydrophobicContact CG-CG 3.63Å; F283-P319 HydrophobicContact CD1-CG 4.18Å; F283-P319 HydrophobicContact CE1-CG 3.76Å; F283-P319 HydrophobicContact CZ-CG 4.08Å; P319-V412 HydrophobicContact CB-CG2 4.21Å; P319-V412 HydrophobicContact CG-CG2 4.21Å
320	S	91.4	Very high	92.5	Very high	45 Å²	45	53.1 Å²	53.1	32%	0.315	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-94.8	138.1	175.1	174.5	0	0	0	0	110.5	T168 Y322 G323	T168-S320 CarbonylContact O-C 3.48Å; S320-Y322 PolarHBondContact O-N 2.99Å; S320-Y322 PolarHBondContact OG-N 3.37Å; S320-G323 PolarHBondContact O-N 3.31Å
321	P	90.7	Very high	92.3	Very high	55 Å²	55	51 Å²	51	36%	0.357	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.3	-179.6	29.5	-35.8	0	0	0	113.2	T168 G323	T168-P321 WeakPolarHBondContact O-CA 3.13Å; T168-P321 WeakPolarHBondContact O-CD 3.25Å; P321-G323 VanDerWaalsContact C-N 3.28Å
322	Y	87.4	Confident	91.8	Very high	214 Å²	214	51.8 Å²	51.8	84%	0.839	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	6.9	179.7	-55.2	-69.6	0	0	0	113.5	S320	S320-Y322 PolarHBondContact O-N 2.99Å; S320-Y322 PolarHBondContact OG-N 3.37Å
323	G	71.6	Confident	91.4	Very high	22 Å²	22	49 Å²	49	23%	0.227	26%	0.256	C	S	.	.			trans	76.5	138.3	-165.1	0	0	0	0	0	111.1	S320 P321	S320-G323 PolarHBondContact O-N 3.31Å; P321-G323 VanDerWaalsContact C-N 3.28Å
324	S	70.6	Confident	90.8	Very high	47 Å²	47	48.7 Å²	48.7	33%	0.329	26%	0.255	S	S	.	.			trans	-89.3	159.3	173.4	29.9	0	0	0	0	110.9	H326	S324-H326 PolarHBondContact O-CD2 3.13Å; S324-H326 PolarHBondContact O-N 2.92Å; S324-H326 PolarHBondContact OG-CE1 3.46Å; S324-H326 PolarHBondContact OG-ND1 3.31Å; S324-H326 VanDerWaalsContact OG-ND1 3.11Å
325	N	81.3	Confident	90.5	Very high	154 Å²	154	48.9 Å²	48.9	82%	0.824	26%	0.256	S	S	*	.			trans	-65.1	89.2	156.3	-78.1	-25	0	0	0	107.6
326	H	92.8	Very high	90	Very high	15 Å²	15	47.3 Å²	47.3	7%	0.069	26%	0.255	C	S	.	.			trans	-63.9	148.7	179.5	-59.5	-57.6	0	0	0	111	D305 S324 L342 E353 I357	D305-H326 IonicContact OD2-ND1 3.36Å; S324-H326 PolarHBondContact O-CD2 3.13Å; S324-H326 PolarHBondContact O-N 2.92Å; S324-H326 PolarHBondContact OG-CE1 3.46Å; S324-H326 PolarHBondContact OG-ND1 3.31Å; S324-H326 VanDerWaalsContact OG-ND1 3.11Å; H326-L342 HydrophobicContact CB-CD1 3.94Å; H326-L342 HydrophobicContact CB-CD2 4.5Å; H326-L342 HydrophobicContact CB-CG 4.12Å; H326-E353 IonicContact CD2-OE1 3.62Å; H326-E353 IonicContact CD2-OE2 3.16Å; H326-E353 IonicContact CE1-OE2 3.5Å; H326-E353 PolarHBondContact CE1-OE2 2.89Å; H326-E353 IonicContact NE2-OE1 2.99Å; H326-E353 PolarHBondContact NE2-OE1 3.42Å; H326-E353 IonicContact NE2-OE2 3.18Å; H326-E353 PolarHBondContact NE2-OE2 3.4Å; H326-I357 HydrophobicContact CB-CD1 3.64Å
327	N	93.4	Very high	89.7	Confident	66 Å²	66	49.8 Å²	49.8	35%	0.353	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	152	169.5	-61.5	-50.2	0	0	0	109.8	W339 E340	N327-W339 HydrophobicContact CB-CB 4.06Å; N327-W339 HydrophobicContact CB-CD2 4.37Å; N327-W339 HydrophobicContact CB-CE3 3.81Å; N327-E340 CarbonylContact C-O 3.55Å; N327-E340 WeakPolarHBondContact CA-O 3.3Å
328	R	96.5	Very high	89.4	Confident	8 Å²	8	46.4 Å²	46.4	3%	0.03	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	156.3	164.5	67.8	-177.8	-169.4	170.1	-0.9	109.1	W339 E340 L342 P343 I357 E495	R328-W339 WeakPolarHBondContact O-CA 3.48Å; R328-E340 HydrophobicContact CG-CG 3.82Å; R328-E340 IonicContact CZ-OE1 3.98Å; R328-E340 PolarHBondContact N-O 2.05Å; R328-E340 IonicContact NE-OE1 3.36Å; R328-E340 PolarHBondContact NE-OE1 2.92Å; R328-E340 IonicContact NH2-OE1 3.66Å; R328-E340 PolarHBondContact NH2-OE1 3.33Å; R328-E340 PolarHBondContact O-N 2.78Å; R328-L342 HydrophobicContact CB-CD2 3.74Å; R328-L342 HydrophobicContact CG-CD2 4.04Å; R328-P343 VanDerWaalsContact CZ-CD 3.47Å; R328-I357 HydrophobicContact CB-CG2 4.31Å; R328-E495 IonicContact CZ-OE2 3.2Å; R328-E495 IonicContact NH1-OE2 2.95Å; R328-E495 PolarHBondContact NH1-OE2 3.49Å; R328-E495 IonicContact NH2-OE2 2.66Å; R328-E495 PolarHBondContact NH2-OE2 2.91Å
329	G	97.3	Very high	89.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	138.3	175.7	0	0	0	0	0	111.9	G338 T359 P360 T361	G329-G338 WeakPolarHBondContact CA-O 3.24Å; G329-T359 PolarHBondContact N-OG1 3.31Å; G329-P360 VanDerWaalsContact O-CD 3.28Å; G329-P360 WeakPolarHBondContact O-CD 3.16Å; G329-T361 VanDerWaalsContact CA-O 3.32Å; G329-T361 WeakPolarHBondContact CA-O 3.34Å; G329-T361 PolarHBondContact O-N 3.1Å; G329-T361 PolarHBondContact O-OG1 3.41Å
330	N	95.4	Very high	89	Confident	26 Å²	26	48.6 Å²	48.6	14%	0.139	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	-174.1	170.8	67.3	15.4	0	0	0	112	G338 W339 E340 T361 Y493	N330-G338 PolarHBondContact N-O 3.32Å; N330-G338 PolarHBondContact O-N 3.13Å; N330-G338 WeakPolarHBondContact OD1-CA 3.23Å; N330-G338 PolarHBondContact OD1-N 3.28Å; N330-G338 PolarHBondContact OD1-O 2.87Å; N330-G338 VanDerWaalsContact OD1-O 3.13Å; N330-W339 PolarHBondContact OD1-N 3.08Å; N330-E340 HydrophobicContact CB-CG 4.06Å; N330-E340 WeakPolarHBondContact ND2-CB 3.03Å; N330-E340 PolarHBondContact ND2-OE2 3.27Å; N330-T361 WeakPolarHBondContact CA-OG1 3.46Å; N330-T361 PolarHBondContact N-OG1 3.2Å; N330-T361 VanDerWaalsContact N-OG1 3.08Å; N330-T361 PolarHBondContact O-OG1 3.19Å; N330-Y493 HydrophobicContact CB-CE1 3.89Å; N330-Y493 WeakPolarHBondContact CB-OH 3.37Å
331	F	94.1	Very high	89.1	Confident	5 Å²	5	50.1 Å²	50.1	2%	0.022	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	148.2	167.3	70.4	-78.3	0	0	0	109.7	W333 L335 S336 T361 I392 F396 F485 Y488 L489 Y493	F331-W333 HydrophobicContact CE2-CE3 4.43Å; F331-W333 HydrophobicContact CE2-CZ3 4.44Å; F331-L335 HydrophobicContact CD2-CD2 4.01Å; F331-L335 HydrophobicContact CE2-CD2 4.4Å; F331-S336 VanDerWaalsContact CA-O 3.22Å; F331-S336 WeakPolarHBondContact CA-O 3.24Å; F331-T361 HydrophobicContact CB-CG2 4.3Å; F331-T361 HydrophobicContact CD1-CG2 3.91Å; F331-I392 HydrophobicContact CB-CD1 4.07Å; F331-F396 AromaticContact CD1-CE1 3.85Å; F331-F396 HydrophobicContact CD1-CE1 3.85Å; F331-F396 AromaticContact CD1-CZ 3.98Å; F331-F396 HydrophobicContact CD1-CZ 3.98Å; F331-F396 HydrophobicContact CD2-CZ 4.09Å; F331-F396 AromaticContact CE1-CE1 3.75Å; F331-F396 HydrophobicContact CE1-CE1 3.75Å; F331-F396 AromaticContact CE1-CZ 3.9Å; F331-F396 HydrophobicContact CE1-CZ 3.9Å; F331-F396 HydrophobicContact CE2-CZ 4.03Å; F331-F396 HydrophobicContact CG-CE1 4.38Å; F331-F396 HydrophobicContact CG-CZ 4.1Å; F331-F396 HydrophobicContact CZ-CE1 4.21Å; F331-F396 AromaticContact CZ-CZ 3.94Å; F331-F396 HydrophobicContact CZ-CZ 3.94Å; F331-F485 HydrophobicContact CE2-CZ 4.41Å; F331-F485 HydrophobicContact CZ-CE1 4.43Å; F331-F485 AromaticContact CZ-CZ 3.86Å; F331-F485 HydrophobicContact CZ-CZ 3.86Å; F331-Y488 AromaticContact CE1-CE1 3.92Å; F331-Y488 HydrophobicContact CE1-CE1 3.92Å; F331-Y488 HydrophobicContact CZ-CE1 4.49Å; F331-L489 HydrophobicContact CZ-CD2 4.39Å; F331-Y493 HydrophobicContact CD1-CD1 4.23Å; F331-Y493 HydrophobicContact CD1-CE1 4.2Å; F331-Y493 AromaticContact CE1-CD1 3.82Å; F331-Y493 HydrophobicContact CE1-CD1 3.82Å; F331-Y493 HydrophobicContact CE1-CE1 4.13Å
332	D	87.3	Confident	89.4	Confident	50 Å²	50	47.9 Å²	47.9	27%	0.267	25%	0.253	S	S	.	.			trans	-90.7	169.3	165.7	71.3	16.5	0	0	0	111.3	S334 L335 S336	D332-S334 PolarHBondContact O-N 3.35Å; D332-S334 VanDerWaalsContact O-N 3.09Å; D332-S334 VanDerWaalsContact OD1-C 3.27Å; D332-S334 VanDerWaalsContact OD1-CA 3.25Å; D332-S334 WeakPolarHBondContact OD1-CA 3.48Å; D332-S334 VanDerWaalsContact OD1-CB 3.28Å; D332-S334 WeakPolarHBondContact OD1-CB 3.45Å; D332-S334 PolarHBondContact OD1-N 3.37Å; D332-L335 WeakPolarHBondContact O-CA 3.12Å; D332-L335 PolarHBondContact O-N 3.39Å; D332-L335 PolarHBondContact OD1-N 2.79Å; D332-L335 VanDerWaalsContact OD1-N 3.11Å; D332-S336 PolarHBondContact N-O 3.04Å; D332-S336 WeakPolarHBondContact OD1-CB 3.43Å; D332-S336 PolarHBondContact OD1-N 3.23Å; D332-S336 PolarHBondContact OD1-OG 2.82Å
333	W	88.7	Confident	89.6	Confident	15 Å²	15	38.7 Å²	38.7	6%	0.057	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	5	178.6	-67.3	100.3	0	0	0	114.4	F331 L335 M444 Y447 I450 F451 F485 L489 Y497 V498 P499	F331-W333 HydrophobicContact CE2-CE3 4.43Å; F331-W333 HydrophobicContact CE2-CZ3 4.44Å; W333-L335 VanDerWaalsContact C-N 3.33Å; W333-M444 HydrophobicContact CE3-CE 4.3Å; W333-M444 HydrophobicContact CZ3-CE 3.97Å; W333-Y447 HydrophobicContact CH2-CD1 4.27Å; W333-I450 HydrophobicContact CB-CG2 3.96Å; W333-I450 HydrophobicContact CD2-CG2 3.67Å; W333-I450 HydrophobicContact CE3-CB 3.87Å; W333-I450 HydrophobicContact CE3-CD1 4.18Å; W333-I450 HydrophobicContact CE3-CG2 3.5Å; W333-I450 VanDerWaalsContact CE3-CG2 3.5Å; W333-I450 HydrophobicContact CG-CG2 3.87Å; W333-I450 HydrophobicContact CH2-CD1 4.07Å; W333-I450 HydrophobicContact CZ3-CB 4.23Å; W333-I450 HydrophobicContact CZ3-CD1 3.86Å; W333-I450 HydrophobicContact CZ3-CG2 4.23Å; W333-F451 WeakPolarHBondContact O-CA 3.45Å; W333-F485 HydrophobicContact CH2-CE1 4.33Å; W333-F485 HydrophobicContact CZ3-CE1 4.44Å; W333-L489 HydrophobicContact CH2-CD1 4.36Å; W333-L489 HydrophobicContact CH2-CD2 4.37Å; W333-Y497 PolarHBondContact NE1-O 3.4Å; W333-V498 HydrophobicContact CH2-CG1 4.05Å; W333-V498 HydrophobicContact CZ2-CB 4.14Å; W333-V498 HydrophobicContact CZ2-CG1 3.93Å; W333-V498 HydrophobicContact CZ2-CG2 4.06Å; W333-P499 HydrophobicContact CD2-CG 4.32Å; W333-P499 HydrophobicContact CG-CG 4.03Å
334	S	85.1	Confident	90.6	Very high	24 Å²	24	42.8 Å²	42.8	17%	0.168	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	6.5	163.3	-56.8	0	0	0	0	111.9	D332 S336 Q436	D332-S334 PolarHBondContact O-N 3.35Å; D332-S334 VanDerWaalsContact O-N 3.09Å; D332-S334 VanDerWaalsContact OD1-C 3.27Å; D332-S334 VanDerWaalsContact OD1-CA 3.25Å; D332-S334 WeakPolarHBondContact OD1-CA 3.48Å; D332-S334 VanDerWaalsContact OD1-CB 3.28Å; D332-S334 WeakPolarHBondContact OD1-CB 3.45Å; D332-S334 PolarHBondContact OD1-N 3.37Å; S334-S336 PolarHBondContact O-N 3.24Å; S334-Q436 PolarHBondContact O-NE2 2.9Å; S334-Q436 VanDerWaalsContact O-NE2 3.15Å
335	L	92.3	Very high	91.7	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	24%	0.243	C	C	.	.			trans	58.9	32.8	-176.6	-59	176	0	0	0	113.4	F331 D332 W333 F396 Q436 L439 A440 M444 F451	F331-L335 HydrophobicContact CD2-CD2 4.01Å; F331-L335 HydrophobicContact CE2-CD2 4.4Å; D332-L335 WeakPolarHBondContact O-CA 3.12Å; D332-L335 PolarHBondContact O-N 3.39Å; D332-L335 PolarHBondContact OD1-N 2.79Å; D332-L335 VanDerWaalsContact OD1-N 3.11Å; W333-L335 VanDerWaalsContact C-N 3.33Å; L335-F396 HydrophobicContact CD2-CE2 4.41Å; L335-Q436 HydrophobicContact CB-CG 4.15Å; L335-Q436 HydrophobicContact CD1-CB 4.11Å; L335-Q436 PolarHBondContact O-NE2 2.82Å; L335-L439 HydrophobicContact CD1-CD1 4Å; L335-L439 HydrophobicContact CD1-CG 4.46Å; L335-L439 HydrophobicContact CD2-CD1 4.48Å; L335-A440 HydrophobicContact CD1-CB 4.17Å; L335-M444 HydrophobicContact CD1-SD 3.85Å; L335-M444 HydrophobicContact CD2-CE 3.91Å; L335-M444 HydrophobicContact CD2-SD 3.63Å; L335-M444 HydrophobicContact CG-SD 4.3Å; L335-F451 HydrophobicContact CB-CD2 4.36Å; L335-F451 HydrophobicContact CB-CE2 4.29Å; L335-F451 HydrophobicContact CD1-CB 4.3Å; L335-F451 HydrophobicContact CD1-CD1 3.65Å; L335-F451 HydrophobicContact CD1-CD2 3.76Å; L335-F451 HydrophobicContact CD1-CE1 3.81Å; L335-F451 HydrophobicContact CD1-CE2 3.91Å; L335-F451 HydrophobicContact CD1-CG 3.63Å; L335-F451 HydrophobicContact CD1-CZ 3.95Å; L335-F451 HydrophobicContact CG-CB 4.41Å; L335-F451 HydrophobicContact CG-CD1 4.48Å; L335-F451 HydrophobicContact CG-CD2 3.75Å; L335-F451 HydrophobicContact CG-CE2 4.1Å; L335-F451 HydrophobicContact CG-CG 3.97Å
336	S	88.3	Confident	92.4	Very high	54 Å²	54	38.2 Å²	38.2	38%	0.378	21%	0.205	S	C	.	.			trans	-89.3	138.4	169.9	-49.9	0	0	0	0	109.7	F331 D332 S334	F331-S336 VanDerWaalsContact CA-O 3.22Å; F331-S336 WeakPolarHBondContact CA-O 3.24Å; D332-S336 PolarHBondContact N-O 3.04Å; D332-S336 WeakPolarHBondContact OD1-CB 3.43Å; D332-S336 PolarHBondContact OD1-N 3.23Å; D332-S336 PolarHBondContact OD1-OG 2.82Å; S334-S336 PolarHBondContact O-N 3.24Å
337	F	93.1	Very high	92.4	Very high	58 Å²	58	42.2 Å²	42.2	25%	0.254	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	144.5	171.1	174.1	-98.2	0	0	0	111	W339 F362 A363 I392	F337-W339 HydrophobicContact CE1-CD2 4.07Å; F337-W339 AromaticContact CE1-CE2 3.53Å; F337-W339 HydrophobicContact CE1-CG 4.42Å; F337-W339 AromaticContact CE1-CZ2 3.8Å; F337-W339 HydrophobicContact CE1-CZ2 3.8Å; F337-W339 AromaticContact CE1-NE1 3.56Å; F337-W339 AromaticContact CZ-CD2 3.91Å; F337-W339 HydrophobicContact CZ-CD2 3.91Å; F337-W339 AromaticContact CZ-CE2 3.63Å; F337-W339 HydrophobicContact CZ-CE3 4.16Å; F337-W339 AromaticContact CZ-CH2 3.95Å; F337-W339 HydrophobicContact CZ-CH2 3.95Å; F337-W339 AromaticContact CZ-CZ2 3.66Å; F337-W339 HydrophobicContact CZ-CZ2 3.66Å; F337-W339 HydrophobicContact CZ-CZ3 4.19Å; F337-F362 WeakPolarHBondContact CD2-O 3.45Å; F337-F362 WeakPolarHBondContact CE2-O 3.46Å; F337-A363 HydrophobicContact CE1-CB 3.85Å; F337-A363 HydrophobicContact CE2-CB 4.4Å; F337-A363 HydrophobicContact CZ-CB 3.77Å; F337-I392 HydrophobicContact CB-CD1 4.15Å; F337-I392 HydrophobicContact CD2-CD1 4.35Å
338	G	90.4	Very high	92.5	Very high	19 Å²	19	46.7 Å²	46.7	20%	0.196	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	-177.8	172.1	0	0	0	0	0	112.7	G329 N330	G329-G338 WeakPolarHBondContact CA-O 3.24Å; N330-G338 PolarHBondContact N-O 3.32Å; N330-G338 PolarHBondContact O-N 3.13Å; N330-G338 WeakPolarHBondContact OD1-CA 3.23Å; N330-G338 PolarHBondContact OD1-N 3.28Å; N330-G338 PolarHBondContact OD1-O 2.87Å; N330-G338 VanDerWaalsContact OD1-O 3.13Å
339	W	92.2	Very high	92.5	Very high	96 Å²	96	50.6 Å²	50.6	36%	0.364	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.7	177.7	-65.9	107.1	0	0	0	109.9	I306 N327 R328 N330 F337 A363 I407	I306-W339 HydrophobicContact CD1-CH2 4.47Å; I306-W339 HydrophobicContact CD1-CZ2 4.46Å; N327-W339 HydrophobicContact CB-CB 4.06Å; N327-W339 HydrophobicContact CB-CD2 4.37Å; N327-W339 HydrophobicContact CB-CE3 3.81Å; R328-W339 WeakPolarHBondContact O-CA 3.48Å; N330-W339 PolarHBondContact OD1-N 3.08Å; F337-W339 HydrophobicContact CE1-CD2 4.07Å; F337-W339 AromaticContact CE1-CE2 3.53Å; F337-W339 HydrophobicContact CE1-CG 4.42Å; F337-W339 AromaticContact CE1-CZ2 3.8Å; F337-W339 HydrophobicContact CE1-CZ2 3.8Å; F337-W339 AromaticContact CE1-NE1 3.56Å; F337-W339 AromaticContact CZ-CD2 3.91Å; F337-W339 HydrophobicContact CZ-CD2 3.91Å; F337-W339 AromaticContact CZ-CE2 3.63Å; F337-W339 HydrophobicContact CZ-CE3 4.16Å; F337-W339 AromaticContact CZ-CH2 3.95Å; F337-W339 HydrophobicContact CZ-CH2 3.95Å; F337-W339 AromaticContact CZ-CZ2 3.66Å; F337-W339 HydrophobicContact CZ-CZ2 3.66Å; F337-W339 HydrophobicContact CZ-CZ3 4.19Å; W339-A363 HydrophobicContact CH2-CB 4.44Å; W339-A363 HydrophobicContact CZ2-CB 4.09Å; W339-I407 HydrophobicContact CZ3-CD1 4.05Å
340	E	90.3	Very high	92.5	Very high	43 Å²	43	51.9 Å²	51.9	20%	0.201	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	157.1	171.3	60.8	176.3	-150.9	0	0	111.7	N327 R328 N330 Y493	N327-E340 CarbonylContact C-O 3.55Å; N327-E340 WeakPolarHBondContact CA-O 3.3Å; R328-E340 HydrophobicContact CG-CG 3.82Å; R328-E340 IonicContact CZ-OE1 3.98Å; R328-E340 PolarHBondContact N-O 2.05Å; R328-E340 IonicContact NE-OE1 3.36Å; R328-E340 PolarHBondContact NE-OE1 2.92Å; R328-E340 IonicContact NH2-OE1 3.66Å; R328-E340 PolarHBondContact NH2-OE1 3.33Å; R328-E340 PolarHBondContact O-N 2.78Å; N330-E340 HydrophobicContact CB-CG 4.06Å; N330-E340 WeakPolarHBondContact ND2-CB 3.03Å; N330-E340 PolarHBondContact ND2-OE2 3.27Å; E340-Y493 WeakPolarHBondContact OE1-CE2 3.4Å; E340-Y493 PolarHBondContact OE1-OH 2.02Å; E340-Y493 PolarHBondContact OE2-OH 3.23Å
341	S	93.4	Very high	92.5	Very high	77 Å²	77	58.7 Å²	58.7	54%	0.538	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	152.5	174.7	-55	0	0	0	0	111.9
342	L	95.2	Very high	92.6	Very high	9 Å²	9	61 Å²	61	5%	0.047	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-63.8	140.4	177.5	-52.1	-172.1	0	0	0	112.3	H326 R328 K347 I357	H326-L342 HydrophobicContact CB-CD1 3.94Å; H326-L342 HydrophobicContact CB-CD2 4.5Å; H326-L342 HydrophobicContact CB-CG 4.12Å; R328-L342 HydrophobicContact CB-CD2 3.74Å; R328-L342 HydrophobicContact CG-CD2 4.04Å; L342-K347 HydrophobicContact CB-CG 3.98Å; L342-K347 WeakPolarHBondContact O-CE 3.36Å; L342-K347 PolarHBondContact O-NZ 2.91Å; L342-I357 HydrophobicContact CD1-CD1 3.94Å; L342-I357 HydrophobicContact CD1-CG1 4.09Å; L342-I357 HydrophobicContact CD1-CG2 4.18Å; L342-I357 HydrophobicContact CD2-CD1 4.46Å; L342-I357 HydrophobicContact CD2-CG2 3.47Å; L342-I357 VanDerWaalsContact CD2-CG2 3.47Å; L342-I357 HydrophobicContact CG-CG2 4.48Å
343	P	92.6	Very high	93.1	Very high	20 Å²	20	59.7 Å²	59.7	13%	0.13	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-72.1	159	171.1	32.4	-36.6	0	0	0	111.3	R328 H345 E346 K347 E495	R328-P343 VanDerWaalsContact CZ-CD 3.47Å; P343-H345 VanDerWaalsContact C-N 3.33Å; P343-H345 WeakPolarHBondContact CG-NE2 3.08Å; P343-H345 PolarHBondContact O-N 2.98Å; P343-E346 HydrophobicContact CG-CB 3.92Å; P343-E346 PolarHBondContact O-N 2.77Å; P343-E346 VanDerWaalsContact O-N 3.13Å; P343-K347 PolarHBondContact O-N 3.35Å; P343-K347 VanDerWaalsContact O-N 3.13Å; P343-E495 HydrophobicContact CB-CG 4.08Å
344	D	92.6	Very high	93.5	Very high	109 Å²	109	60.6 Å²	60.6	58%	0.583	30%	0.301	S	S	*	.	H	α-helix	trans	-62.5	-36.5	-172.5	-66.7	-23.9	0	0	0	113.5	E346 K347 Q348	D344-E346 VanDerWaalsContact C-N 3.3Å; D344-E346 PolarHBondContact O-N 3.33Å; D344-K347 PolarHBondContact O-N 3.11Å; D344-K347 IonicContact OD1-NZ 3.93Å; D344-Q348 WeakPolarHBondContact O-CB 3.43Å; D344-Q348 VanDerWaalsContact O-CG 3.22Å; D344-Q348 WeakPolarHBondContact O-CG 3.49Å; D344-Q348 PolarHBondContact O-N 2.97Å
345	H	93.2	Very high	94.1	Very high	98 Å²	98	62.9 Å²	62.9	45%	0.454	31%	0.306	S	S	.	.	H	α-helix	trans	-64.6	-35.4	178.1	71	86.2	0	0	0	112.1	P343 Q348 R349 E495	P343-H345 VanDerWaalsContact C-N 3.33Å; P343-H345 WeakPolarHBondContact CG-NE2 3.08Å; P343-H345 PolarHBondContact O-N 2.98Å; H345-Q348 PolarHBondContact O-N 2.89Å; H345-R349 WeakPolarHBondContact O-CB 3.18Å; H345-R349 PolarHBondContact O-N 2.69Å; H345-E495 IonicContact CD2-OE1 3.5Å; H345-E495 PolarHBondContact CD2-OE1 3.3Å; H345-E495 IonicContact CE1-OE1 3.72Å; H345-E495 IonicContact NE2-OE1 2.7Å; H345-E495 PolarHBondContact NE2-OE1 3.03Å
346	E	95.7	Very high	94.4	Very high	6 Å²	6	63.5 Å²	63.5	3%	0.028	31%	0.31	C	S	.	.	H	α-helix	trans	-74.1	-37.5	178.2	-177.1	61.6	-175.6	0	0	110.9	P343 D344 Q348 R349 R350 I357 K358	P343-E346 HydrophobicContact CG-CB 3.92Å; P343-E346 PolarHBondContact O-N 2.77Å; P343-E346 VanDerWaalsContact O-N 3.13Å; D344-E346 VanDerWaalsContact C-N 3.3Å; D344-E346 PolarHBondContact O-N 3.33Å; E346-Q348 VanDerWaalsContact C-N 3.33Å; E346-Q348 PolarHBondContact O-N 2.62Å; E346-R349 PolarHBondContact O-N 3.01Å; E346-R349 IonicContact OE1-CZ 2.82Å; E346-R349 IonicContact OE1-NE 3.43Å; E346-R349 IonicContact OE1-NH2 3.63Å; E346-R349 PolarHBondContact OE1-NH2 2.59Å; E346-R349 IonicContact OE2-CZ 2.6Å; E346-R349 IonicContact OE2-NE 2.88Å; E346-R349 PolarHBondContact OE2-NE 3.12Å; E346-R349 IonicContact OE2-NH2 3.89Å; E346-R350 WeakPolarHBondContact O-CG 3.4Å; E346-R350 PolarHBondContact O-N 2.88Å; E346-I357 WeakPolarHBondContact OE1-CA 3.46Å; E346-K358 PolarHBondContact OE1-N 3.08Å
347	K	94.2	Very high	94.9	Very high	100 Å²	100	61 Å²	61	44%	0.435	29%	0.293	S	S	.	.	H	α-helix	trans	-60.6	-42.6	170.6	-66.8	175	-175.6	158	0	111.7	L342 P343 D344	L342-K347 HydrophobicContact CB-CG 3.98Å; L342-K347 WeakPolarHBondContact O-CE 3.36Å; L342-K347 PolarHBondContact O-NZ 2.91Å; P343-K347 PolarHBondContact O-N 3.35Å; P343-K347 VanDerWaalsContact O-N 3.13Å; D344-K347 PolarHBondContact O-N 3.11Å; D344-K347 IonicContact OD1-NZ 3.93Å
348	Q	95.3	Very high	95.2	Very high	159 Å²	159	62 Å²	62	74%	0.743	30%	0.297	S	S	*	.	H	α-helix	trans	-69.8	-32.3	179	-72.1	168.4	15.8	0	0	113	D344 H345 E346	D344-Q348 WeakPolarHBondContact O-CB 3.43Å; D344-Q348 VanDerWaalsContact O-CG 3.22Å; D344-Q348 WeakPolarHBondContact O-CG 3.49Å; D344-Q348 PolarHBondContact O-N 2.97Å; H345-Q348 PolarHBondContact O-N 2.89Å; E346-Q348 VanDerWaalsContact C-N 3.33Å; E346-Q348 PolarHBondContact O-N 2.62Å
349	R	96.8	Very high	95.6	Very high	90 Å²	90	61.1 Å²	61.1	34%	0.34	29%	0.288	S	S	.	.	H	α-helix	trans	-68	-36	178.5	-170.8	-167.1	65.2	72.3	0.1	112.2	H345 E346 P356	H345-R349 WeakPolarHBondContact O-CB 3.18Å; H345-R349 PolarHBondContact O-N 2.69Å; E346-R349 PolarHBondContact O-N 3.01Å; E346-R349 IonicContact OE1-CZ 2.82Å; E346-R349 IonicContact OE1-NE 3.43Å; E346-R349 IonicContact OE1-NH2 3.63Å; E346-R349 PolarHBondContact OE1-NH2 2.59Å; E346-R349 IonicContact OE2-CZ 2.6Å; E346-R349 IonicContact OE2-NE 2.88Å; E346-R349 PolarHBondContact OE2-NE 3.12Å; E346-R349 IonicContact OE2-NH2 3.89Å; R349-P356 PolarHBondContact NH2-O 3.04Å
350	R	96.4	Very high	95.9	Very high	27 Å²	27	56.6 Å²	56.6	10%	0.102	27%	0.271	C	S	.	.			trans	-81	125.4	-177.8	-64.9	173.2	66.7	-117.2	-4.7	109.7	E346 E353 Y355	E346-R350 WeakPolarHBondContact O-CG 3.4Å; E346-R350 PolarHBondContact O-N 2.88Å; R350-E353 IonicContact CZ-OE1 3.52Å; R350-E353 IonicContact CZ-OE2 3.67Å; R350-E353 IonicContact NH1-OE1 2.73Å; R350-E353 PolarHBondContact NH1-OE1 2.7Å; R350-E353 IonicContact NH1-OE2 2.84Å; R350-E353 IonicContact NH2-OE1 3.18Å; R350-E353 PolarHBondContact NH2-OE1 3.44Å; R350-E353 VanDerWaalsContact NH2-OE1 3.16Å; R350-E353 IonicContact NH2-OE2 3.86Å; R350-E353 PolarHBondContact NH2-OE2 3.48Å; R350-Y355 PolarHBondContact NE-O 2.81Å
351	K	95.7	Very high	96.3	Very high	169 Å²	169	54.5 Å²	54.5	74%	0.735	26%	0.261	S	S	*	.	S	Bend	trans	-89	-30.7	-179.5	-59.8	-173	-172.1	169.6	0	112.9	Y355	K351-Y355 HydrophobicContact CB-CD2 4.36Å; K351-Y355 HydrophobicContact CB-CE2 3.86Å; K351-Y355 WeakPolarHBondContact CD-OH 3.38Å; K351-Y355 HydrophobicContact CG-CE1 4.33Å; K351-Y355 HydrophobicContact CG-CE2 4.35Å
352	D	96.1	Very high	96.5	Very high	54 Å²	54	51 Å²	51	29%	0.289	24%	0.236	S	C	.	.	S	Bend	trans	-157.2	179.4	-179.5	61	57	0	0	0	109.1	E172 T354 Y355	E172-D352 HydrophobicContact CG-CB 4.08Å; D352-T354 VanDerWaalsContact C-N 3.27Å; D352-T354 PolarHBondContact O-N 2.82Å; D352-T354 WeakPolarHBondContact OD1-CA 3.29Å; D352-T354 VanDerWaalsContact OD1-CB 3.26Å; D352-T354 WeakPolarHBondContact OD1-CB 3.46Å; D352-T354 PolarHBondContact OD1-N 3.23Å; D352-T354 PolarHBondContact OD1-OG1 3.25Å; D352-Y355 PolarHBondContact O-N 3.43Å; D352-Y355 WeakPolarHBondContact OD1-CD2 3.5Å
353	E	97.2	Very high	96.4	Very high	23 Å²	23	51.9 Å²	51.9	11%	0.107	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.9	-174.1	-67.9	-64.1	147.1	0	0	115.1	P170 E172 H326 R350 Y355 P409 C410	P170-E353 HydrophobicContact CB-CB 3.92Å; P170-E353 HydrophobicContact CB-CG 3.98Å; P170-E353 HydrophobicContact CG-CB 3.83Å; P170-E353 HydrophobicContact CG-CG 3.68Å; E172-E353 HydrophobicContact CG-CB 4.11Å; E172-E353 WeakPolarHBondContact OE1-CB 3.19Å; E172-E353 WeakPolarHBondContact OE1-CG 3.29Å; E172-E353 PolarHBondContact OE1-N 3.24Å; H326-E353 IonicContact CD2-OE1 3.62Å; H326-E353 IonicContact CD2-OE2 3.16Å; H326-E353 IonicContact CE1-OE2 3.5Å; H326-E353 PolarHBondContact CE1-OE2 2.89Å; H326-E353 IonicContact NE2-OE1 2.99Å; H326-E353 PolarHBondContact NE2-OE1 3.42Å; H326-E353 IonicContact NE2-OE2 3.18Å; H326-E353 PolarHBondContact NE2-OE2 3.4Å; R350-E353 IonicContact CZ-OE1 3.52Å; R350-E353 IonicContact CZ-OE2 3.67Å; R350-E353 IonicContact NH1-OE1 2.73Å; R350-E353 PolarHBondContact NH1-OE1 2.7Å; R350-E353 IonicContact NH1-OE2 2.84Å; R350-E353 IonicContact NH2-OE1 3.18Å; R350-E353 PolarHBondContact NH2-OE1 3.44Å; R350-E353 VanDerWaalsContact NH2-OE1 3.16Å; R350-E353 IonicContact NH2-OE2 3.86Å; R350-E353 PolarHBondContact NH2-OE2 3.48Å; E353-Y355 PolarHBondContact O-N 3.18Å; E353-P409 WeakPolarHBondContact OE2-CB 3.25Å; E353-P409 WeakPolarHBondContact OE2-CG 3.46Å; E353-C410 PolarHBondContact O-SG 2.92Å; E353-C410 VanDerWaalsContact O-SG 3.34Å
354	T	97.8	Very high	96.3	Very high	34 Å²	34	51 Å²	51	21%	0.209	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-16.1	171.8	76	0	0	0	0	112.7	E172 Q176 D352	E172-T354 HydrophobicContact CB-CG2 4.12Å; E172-T354 HydrophobicContact CG-CG2 4.01Å; Q176-T354 HydrophobicContact CG-CG2 4.39Å; D352-T354 VanDerWaalsContact C-N 3.27Å; D352-T354 PolarHBondContact O-N 2.82Å; D352-T354 WeakPolarHBondContact OD1-CA 3.29Å; D352-T354 VanDerWaalsContact OD1-CB 3.26Å; D352-T354 WeakPolarHBondContact OD1-CB 3.46Å; D352-T354 PolarHBondContact OD1-N 3.23Å; D352-T354 PolarHBondContact OD1-OG1 3.25Å
355	Y	98.1	Very high	96.2	Very high	71 Å²	71	46.2 Å²	46.2	28%	0.278	22%	0.216	S	C	.	.	S	Bend	trans	-75.6	131.5	178.9	-78.2	-115.4	0	0	0	110.9	R350 K351 D352 E353	R350-Y355 PolarHBondContact NE-O 2.81Å; K351-Y355 HydrophobicContact CB-CD2 4.36Å; K351-Y355 HydrophobicContact CB-CE2 3.86Å; K351-Y355 WeakPolarHBondContact CD-OH 3.38Å; K351-Y355 HydrophobicContact CG-CE1 4.33Å; K351-Y355 HydrophobicContact CG-CE2 4.35Å; D352-Y355 PolarHBondContact O-N 3.43Å; D352-Y355 WeakPolarHBondContact OD1-CD2 3.5Å; E353-Y355 PolarHBondContact O-N 3.18Å
356	P	98.4	Very high	96.5	Very high	17 Å²	17	41.7 Å²	41.7	11%	0.11	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-57.3	147	174.3	22.6	-32.1	0	0	0	110.3	R349 E406 M408	R349-P356 PolarHBondContact NH2-O 3.04Å; P356-E406 HydrophobicContact CB-CB 3.92Å; P356-E406 HydrophobicContact CB-CG 4.02Å; P356-M408 HydrophobicContact CB-SD 3.61Å
357	I	98.6	Very high	96.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.6	166.6	-65	167.7	0	0	0	107.7	H326 R328 L342 E346 T359 E406 I407 P409	H326-I357 HydrophobicContact CB-CD1 3.64Å; R328-I357 HydrophobicContact CB-CG2 4.31Å; L342-I357 HydrophobicContact CD1-CD1 3.94Å; L342-I357 HydrophobicContact CD1-CG1 4.09Å; L342-I357 HydrophobicContact CD1-CG2 4.18Å; L342-I357 HydrophobicContact CD2-CD1 4.46Å; L342-I357 HydrophobicContact CD2-CG2 3.47Å; L342-I357 VanDerWaalsContact CD2-CG2 3.47Å; L342-I357 HydrophobicContact CG-CG2 4.48Å; E346-I357 WeakPolarHBondContact OE1-CA 3.46Å; I357-T359 PolarHBondContact O-N 2.9Å; I357-E406 CarbonylContact O-C 3.58Å; I357-E406 WeakPolarHBondContact O-CA 3.37Å; I357-I407 HydrophobicContact CB-CB 4.24Å; I357-I407 PolarHBondContact N-O 3.39Å; I357-I407 PolarHBondContact O-N 3.06Å; I357-P409 HydrophobicContact CD1-CG 3.65Å; I357-P409 HydrophobicContact CG1-CG 4.03Å
358	K	98.5	Very high	96.9	Very high	80 Å²	80	36.8 Å²	36.8	35%	0.348	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126.7	171.3	-70.3	-175.9	176.5	-176	0	110.1	E346 W399	E346-K358 PolarHBondContact OE1-N 3.08Å; K358-W399 HydrophobicContact CB-CH2 4.46Å; K358-W399 HydrophobicContact CD-CH2 4.3Å; K358-W399 HydrophobicContact CG-CH2 4.35Å
359	T	98.7	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.			trans	-121.6	127.4	-175.2	-168.6	0	0	0	0	111.2	G329 I357 T361 W399 L405 I407	G329-T359 PolarHBondContact N-OG1 3.31Å; I357-T359 PolarHBondContact O-N 2.9Å; T359-T361 VanDerWaalsContact C-N 3.3Å; T359-T361 WeakPolarHBondContact CB-O 3.47Å; T359-T361 WeakPolarHBondContact CG2-O 3.47Å; T359-T361 PolarHBondContact O-N 3.27Å; T359-T361 PolarHBondContact OG1-O 3Å; T359-W399 PolarHBondContact O-NE1 2.96Å; T359-L405 HydrophobicContact CG2-CB 4.18Å; T359-L405 HydrophobicContact CG2-CD2 4.13Å; T359-L405 HydrophobicContact CG2-CG 3.84Å; T359-L405 PolarHBondContact N-O 2.97Å; T359-I407 HydrophobicContact CG2-CD1 4.19Å; T359-I407 HydrophobicContact CG2-CG1 3.99Å
360	P	98.5	Very high	97.1	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	13%	0.126	C	C	.	.	S	Bend	trans	-54.2	-47.5	175.7	-28.9	34	0	0	0	112.4	G329 W399 Y488 Y493	G329-P360 VanDerWaalsContact O-CD 3.28Å; G329-P360 WeakPolarHBondContact O-CD 3.16Å; P360-W399 VanDerWaalsContact O-CD1 3.32Å; P360-W399 PolarHBondContact O-NE1 2.94Å; P360-Y488 PolarHBondContact O-OH 3.3Å; P360-Y493 HydrophobicContact CB-CD1 3.73Å; P360-Y493 HydrophobicContact CB-CD2 4.36Å; P360-Y493 HydrophobicContact CB-CE1 4.33Å; P360-Y493 HydrophobicContact CB-CG 3.76Å; P360-Y493 HydrophobicContact CG-CD1 4Å; P360-Y493 HydrophobicContact CG-CD2 3.72Å; P360-Y493 HydrophobicContact CG-CE1 4.46Å; P360-Y493 HydrophobicContact CG-CE2 4.21Å; P360-Y493 HydrophobicContact CG-CG 3.61Å
361	T	98.7	Very high	97.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-130.2	168.6	175.5	69.3	0	0	0	0	110.6	G329 N330 F331 T359 I392 S395 F396	G329-T361 VanDerWaalsContact CA-O 3.32Å; G329-T361 WeakPolarHBondContact CA-O 3.34Å; G329-T361 PolarHBondContact O-N 3.1Å; G329-T361 PolarHBondContact O-OG1 3.41Å; N330-T361 WeakPolarHBondContact CA-OG1 3.46Å; N330-T361 PolarHBondContact N-OG1 3.2Å; N330-T361 VanDerWaalsContact N-OG1 3.08Å; N330-T361 PolarHBondContact O-OG1 3.19Å; F331-T361 HydrophobicContact CB-CG2 4.3Å; F331-T361 HydrophobicContact CD1-CG2 3.91Å; T359-T361 VanDerWaalsContact C-N 3.3Å; T359-T361 WeakPolarHBondContact CB-O 3.47Å; T359-T361 WeakPolarHBondContact CG2-O 3.47Å; T359-T361 PolarHBondContact O-N 3.27Å; T359-T361 PolarHBondContact OG1-O 3Å; T361-I392 HydrophobicContact CG2-CD1 3.96Å; T361-S395 VanDerWaalsContact CA-OG 3.31Å; T361-S395 WeakPolarHBondContact CA-OG 3.48Å; T361-F396 HydrophobicContact CG2-CE1 4.37Å
362	F	98.1	Very high	97.4	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.009	11%	0.114	C	C	.	.			trans	-125.6	159.3	171.8	75.2	-30.1	0	0	0	110.8	V301 F337 G364 F367 N391 M394 S395 L405	V301-F362 HydrophobicContact CG1-CE2 4.33Å; F337-F362 WeakPolarHBondContact CD2-O 3.45Å; F337-F362 WeakPolarHBondContact CE2-O 3.46Å; F362-G364 PolarHBondContact O-N 3.18Å; F362-F367 HydrophobicContact CD2-CB 4.06Å; F362-F367 HydrophobicContact CD2-CD1 4.34Å; F362-F367 HydrophobicContact CD2-CG 4.24Å; F362-F367 HydrophobicContact CE2-CB 3.89Å; F362-F367 AromaticContact CE2-CD1 3.52Å; F362-F367 HydrophobicContact CE2-CD1 3.52Å; F362-F367 HydrophobicContact CE2-CD2 4.03Å; F362-F367 AromaticContact CE2-CE1 3.94Å; F362-F367 HydrophobicContact CE2-CE1 3.94Å; F362-F367 HydrophobicContact CE2-CE2 4.41Å; F362-F367 AromaticContact CE2-CG 3.56Å; F362-F367 HydrophobicContact CE2-CG 3.56Å; F362-F367 HydrophobicContact CE2-CZ 4.36Å; F362-F367 HydrophobicContact CZ-CD1 4.31Å; F362-F367 HydrophobicContact CZ-CE1 4.31Å; F362-N391 HydrophobicContact CD1-CB 4.3Å; F362-N391 HydrophobicContact CE1-CB 4.06Å; F362-N391 VanDerWaalsContact CE1-O 3.23Å; F362-N391 WeakPolarHBondContact CE1-O 3.45Å; F362-N391 PolarHBondContact O-ND2 2.8Å; F362-M394 HydrophobicContact CE1-CB 4.15Å; F362-M394 HydrophobicContact CE1-CG 4.39Å; F362-M394 HydrophobicContact CZ-CB 4.29Å; F362-M394 HydrophobicContact CZ-CG 4.15Å; F362-M394 HydrophobicContact CZ-SD 3.84Å; F362-S395 VanDerWaalsContact CD1-OG 3.27Å; F362-S395 WeakPolarHBondContact CD1-OG 3.37Å; F362-S395 PolarHBondContact N-OG 3.45Å; F362-L405 HydrophobicContact CB-CD1 4.3Å; F362-L405 HydrophobicContact CB-CD2 3.87Å; F362-L405 HydrophobicContact CB-CG 4.14Å; F362-L405 HydrophobicContact CD1-CD1 4.34Å; F362-L405 HydrophobicContact CD1-CD2 4.01Å; F362-L405 HydrophobicContact CD2-CD1 4.06Å; F362-L405 HydrophobicContact CE2-CD1 4.45Å; F362-L405 HydrophobicContact CG-CD1 4Å; F362-L405 HydrophobicContact CG-CD2 4.03Å; F362-L405 HydrophobicContact CG-CG 4.33Å
363	A	94.3	Very high	97.5	Very high	29 Å²	29	19.7 Å²	19.7	24%	0.24	10%	0.101	C	C	.	.			trans	-63.8	-26.4	178.1	0	0	0	0	0	112.2	I306 F337 W339 G365	I306-A363 HydrophobicContact CD1-CB 3.86Å; F337-A363 HydrophobicContact CE1-CB 3.85Å; F337-A363 HydrophobicContact CE2-CB 4.4Å; F337-A363 HydrophobicContact CZ-CB 3.77Å; W339-A363 HydrophobicContact CH2-CB 4.44Å; W339-A363 HydrophobicContact CZ2-CB 4.09Å; A363-G365 PolarHBondContact O-N 3.14Å
364	G	90	Very high	97.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	82.2	-23.1	176	0	0	0	0	0	114.9	R261 F362 F367	R261-G364 PolarHBondContact NH1-O 2.99Å; R261-G364 PolarHBondContact NH2-O 2.61Å; F362-G364 PolarHBondContact O-N 3.18Å; G364-F367 WeakPolarHBondContact O-CD1 3.3Å; G364-F367 WeakPolarHBondContact O-CE1 3.39Å
365	G	90.9	Very high	97.6	Very high	10 Å²	10	22.7 Å²	22.7	10%	0.103	11%	0.112	C	C	.	.	S	Bend	trans	-60	-47.2	175.7	0	0	0	0	0	113.2	R261 A363	R261-G365 VanDerWaalsContact NH2-CA 3.34Å; R261-G365 PolarHBondContact NH2-O 2.81Å; A363-G365 PolarHBondContact O-N 3.14Å
366	L	98.6	Very high	97.6	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.016	12%	0.116	C	C	.	.	S	Bend	trans	-126.6	116.2	-171	-66.9	75.9	0	0	0	110.8	F275 L276 P304 I306 V413	F275-L366 VanDerWaalsContact O-CA 3.31Å; F275-L366 WeakPolarHBondContact O-CA 3.27Å; L276-L366 HydrophobicContact CD2-CB 4.16Å; L276-L366 HydrophobicContact CD2-CD2 3.78Å; L276-L366 HydrophobicContact CD2-CG 3.77Å; P304-L366 WeakPolarHBondContact CD-O 3.32Å; P304-L366 HydrophobicContact CG-CB 3.84Å; P304-L366 HydrophobicContact CG-CD2 4.14Å; I306-L366 HydrophobicContact CD1-CB 4.36Å; I306-L366 HydrophobicContact CD1-CD1 4.39Å; L366-V413 HydrophobicContact CD2-CB 3.63Å; L366-V413 HydrophobicContact CD2-CG1 3.36Å; L366-V413 HydrophobicContact CD2-CG2 4.46Å
367	F	98.9	Very high	97.6	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.009	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	161.3	175.4	69	-79.9	0	0	0	112.5	T274 F275 V301 V302 F362 G364 I369 Y380 M394	T274-F367 CarbonylContact C-O 3.47Å; T274-F367 WeakPolarHBondContact CA-O 3.41Å; F275-F367 HydrophobicContact CB-CD1 4.07Å; F275-F367 HydrophobicContact CB-CE1 3.88Å; F275-F367 HydrophobicContact CB-CZ 4.45Å; F275-F367 HydrophobicContact CD2-CD1 4.14Å; F275-F367 HydrophobicContact CD2-CD2 4.17Å; F275-F367 AromaticContact CD2-CE1 3.52Å; F275-F367 HydrophobicContact CD2-CE1 3.52Å; F275-F367 AromaticContact CD2-CE2 3.56Å; F275-F367 HydrophobicContact CD2-CE2 3.56Å; F275-F367 HydrophobicContact CD2-CG 4.44Å; F275-F367 AromaticContact CD2-CZ 3.2Å; F275-F367 HydrophobicContact CD2-CZ 3.2Å; F275-F367 HydrophobicContact CE2-CE1 4.31Å; F275-F367 AromaticContact CE2-CE2 3.84Å; F275-F367 HydrophobicContact CE2-CE2 3.84Å; F275-F367 AromaticContact CE2-CZ 3.58Å; F275-F367 HydrophobicContact CE2-CZ 3.58Å; F275-F367 HydrophobicContact CG-CD1 4.48Å; F275-F367 AromaticContact CG-CE1 3.89Å; F275-F367 HydrophobicContact CG-CE1 3.89Å; F275-F367 HydrophobicContact CG-CZ 4Å; F275-F367 PolarHBondContact N-O 3.49Å; F275-F367 PolarHBondContact O-N 2.79Å; V301-F367 HydrophobicContact CG1-CD2 3.68Å; V301-F367 HydrophobicContact CG1-CE2 4.21Å; V301-F367 HydrophobicContact CG1-CG 4.45Å; V302-F367 CarbonylContact O-C 3.53Å; V302-F367 VanDerWaalsContact O-CA 3.31Å; V302-F367 WeakPolarHBondContact O-CA 3.31Å; V302-F367 WeakPolarHBondContact O-CB 3.45Å; F362-F367 HydrophobicContact CD2-CB 4.06Å; F362-F367 HydrophobicContact CD2-CD1 4.34Å; F362-F367 HydrophobicContact CD2-CG 4.24Å; F362-F367 HydrophobicContact CE2-CB 3.89Å; F362-F367 AromaticContact CE2-CD1 3.52Å; F362-F367 HydrophobicContact CE2-CD1 3.52Å; F362-F367 HydrophobicContact CE2-CD2 4.03Å; F362-F367 AromaticContact CE2-CE1 3.94Å; F362-F367 HydrophobicContact CE2-CE1 3.94Å; F362-F367 HydrophobicContact CE2-CE2 4.41Å; F362-F367 AromaticContact CE2-CG 3.56Å; F362-F367 HydrophobicContact CE2-CG 3.56Å; F362-F367 HydrophobicContact CE2-CZ 4.36Å; F362-F367 HydrophobicContact CZ-CD1 4.31Å; F362-F367 HydrophobicContact CZ-CE1 4.31Å; G364-F367 WeakPolarHBondContact O-CD1 3.3Å; G364-F367 WeakPolarHBondContact O-CE1 3.39Å; F367-I369 HydrophobicContact CD2-CB 4.27Å; F367-I369 HydrophobicContact CD2-CG2 4.26Å; F367-I369 HydrophobicContact CE2-CB 4.17Å; F367-I369 HydrophobicContact CE2-CG2 3.78Å; F367-Y380 WeakPolarHBondContact CE1-OH 3.41Å; F367-Y380 WeakPolarHBondContact CZ-OH 3.3Å; F367-M394 HydrophobicContact CE2-CE 3.86Å; F367-M394 HydrophobicContact CE2-SD 4.4Å; F367-M394 HydrophobicContact CZ-CE 4.18Å; F367-M394 HydrophobicContact CZ-SD 4.16Å
368	S	98.9	Very high	97.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146.1	168	-57.4	0	0	0	0	111.6	L273 T274 V302	L273-S368 CarbonylContact O-C 3.56Å; L273-S368 WeakPolarHBondContact O-CA 3.41Å; T274-S368 WeakPolarHBondContact CB-OG 3.43Å; T274-S368 WeakPolarHBondContact CG2-OG 3.45Å; T274-S368 PolarHBondContact OG1-OG 2.7Å; V302-S368 PolarHBondContact N-O 3.18Å; V302-S368 PolarHBondContact O-N 2.83Å
369	I	98.9	Very high	97.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	147.9	177.8	-170.5	170.1	0	0	0	110.1	T272 L273 F275 V301 F367 K371 Y373 F374 M394	T272-I369 CarbonylContact C-O 3.53Å; T272-I369 VanDerWaalsContact CA-O 3.29Å; T272-I369 WeakPolarHBondContact CA-O 3.38Å; T272-I369 WeakPolarHBondContact CB-O 3.49Å; L273-I369 HydrophobicContact CB-CG2 4.14Å; L273-I369 PolarHBondContact N-O 3.33Å; L273-I369 PolarHBondContact O-N 2.88Å; F275-I369 HydrophobicContact CE2-CG2 4.32Å; V301-I369 HydrophobicContact CB-CD1 4.49Å; V301-I369 HydrophobicContact CG1-CB 4.43Å; V301-I369 HydrophobicContact CG1-CD1 4.35Å; V301-I369 HydrophobicContact CG2-CD1 3.49Å; V301-I369 VanDerWaalsContact CG2-CD1 3.49Å; V301-I369 HydrophobicContact CG2-CG1 3.9Å; F367-I369 HydrophobicContact CD2-CB 4.27Å; F367-I369 HydrophobicContact CD2-CG2 4.26Å; F367-I369 HydrophobicContact CE2-CB 4.17Å; F367-I369 HydrophobicContact CE2-CG2 3.78Å; I369-K371 PolarHBondContact O-N 3.19Å; I369-Y373 HydrophobicContact CD1-CD1 3.91Å; I369-Y373 HydrophobicContact CD1-CE1 4.5Å; I369-Y373 HydrophobicContact CG1-CD1 4.03Å; I369-F374 HydrophobicContact CD1-CB 3.95Å; I369-F374 HydrophobicContact CD1-CD2 4.12Å; I369-F374 HydrophobicContact CG1-CB 4.28Å; I369-F374 HydrophobicContact CG2-CB 3.92Å; I369-F374 HydrophobicContact CG2-CD2 4.11Å; I369-F374 HydrophobicContact CG2-CG 4.27Å; I369-M394 HydrophobicContact CD1-CE 3.69Å
370	S	98.9	Very high	97.5	Very high	12 Å²	12	20.5 Å²	20.5	8%	0.084	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	132.4	166.2	162.9	0	0	0	0	110.1	E372 Y373 F374	S370-E372 VanDerWaalsContact C-N 3.33Å; S370-E372 PolarHBondContact O-N 3.08Å; S370-E372 PolarHBondContact OG-N 3.35Å; S370-Y373 PolarHBondContact O-N 3.21Å; S370-Y373 PolarHBondContact OG-N 2.9Å; S370-F374 WeakPolarHBondContact O-CB 3.37Å; S370-F374 PolarHBondContact O-N 3.42Å
371	K	98.7	Very high	97.4	Very high	43 Å²	43	20.8 Å²	20.8	19%	0.187	11%	0.107	C	C	.	.	H	α-helix	trans	-60.8	-45.5	178.2	-176.7	-178	178.1	-169.9	0	110.8	A268 E271 L273 I369 Y373 F374 E375	A268-K371 PolarHBondContact O-NZ 2.76Å; E271-K371 WeakPolarHBondContact O-CB 3.18Å; E271-K371 PolarHBondContact O-N 3.36Å; L273-K371 HydrophobicContact CD1-CG 4.28Å; L273-K371 HydrophobicContact CD2-CB 4.19Å; L273-K371 HydrophobicContact CD2-CD 4.28Å; L273-K371 HydrophobicContact CD2-CG 4.08Å; L273-K371 HydrophobicContact CG-CB 4.02Å; L273-K371 HydrophobicContact CG-CG 4.17Å; I369-K371 PolarHBondContact O-N 3.19Å; K371-Y373 VanDerWaalsContact C-N 3.31Å; K371-Y373 PolarHBondContact O-N 3.27Å; K371-F374 WeakPolarHBondContact O-CB 3.12Å; K371-F374 PolarHBondContact O-N 3.19Å; K371-E375 WeakPolarHBondContact CE-OE1 3.25Å; K371-E375 IonicContact NZ-OE1 3.16Å; K371-E375 WeakPolarHBondContact O-CG 3.37Å; K371-E375 PolarHBondContact O-N 2.7Å
372	E	98.4	Very high	97.3	Very high	83 Å²	83	26 Å²	26	39%	0.388	13%	0.131	S	C	.	.	H	α-helix	trans	-59.2	-43.8	176.2	-175.5	-175	173.1	0	0	111	S370 E375 Y376	S370-E372 VanDerWaalsContact C-N 3.33Å; S370-E372 PolarHBondContact O-N 3.08Å; S370-E372 PolarHBondContact OG-N 3.35Å; E372-E375 PolarHBondContact O-N 3.33Å; E372-Y376 VanDerWaalsContact O-CB 3.26Å; E372-Y376 WeakPolarHBondContact O-CB 3.49Å; E372-Y376 PolarHBondContact O-N 2.7Å
373	Y	98.6	Very high	97.2	Very high	3 Å²	3	30.7 Å²	30.7	1%	0.012	15%	0.153	C	C	.	.	H	α-helix	trans	-69	-38.4	178.2	-171.9	-119.4	0	0	0	112.4	Y298 T299 V301 I369 S370 K371 E375 Y376 I377 G403	Y298-Y373 HydrophobicContact CD2-CD2 4.49Å; Y298-Y373 HydrophobicContact CE2-CD2 4.18Å; Y298-Y373 WeakPolarHBondContact O-CB 3.5Å; T299-Y373 HydrophobicContact CG2-CD2 4.04Å; T299-Y373 HydrophobicContact CG2-CE2 3.78Å; T299-Y373 VanDerWaalsContact O-CE1 3.29Å; T299-Y373 WeakPolarHBondContact O-CE1 3.11Å; V301-Y373 HydrophobicContact CG2-CD1 4.42Å; V301-Y373 HydrophobicContact CG2-CE1 4.1Å; I369-Y373 HydrophobicContact CD1-CD1 3.91Å; I369-Y373 HydrophobicContact CD1-CE1 4.5Å; I369-Y373 HydrophobicContact CG1-CD1 4.03Å; S370-Y373 PolarHBondContact O-N 3.21Å; S370-Y373 PolarHBondContact OG-N 2.9Å; K371-Y373 VanDerWaalsContact C-N 3.31Å; K371-Y373 PolarHBondContact O-N 3.27Å; Y373-E375 VanDerWaalsContact C-N 3.31Å; Y373-E375 PolarHBondContact O-N 2.73Å; Y373-Y376 AromaticContact CD2-CD1 3.99Å; Y373-Y376 HydrophobicContact CD2-CD1 3.99Å; Y373-Y376 AromaticContact CE2-CD1 3.98Å; Y373-Y376 HydrophobicContact CE2-CD1 3.98Å; Y373-Y376 HydrophobicContact CE2-CE1 4.46Å; Y373-Y376 PolarHBondContact O-N 2.93Å; Y373-I377 HydrophobicContact CE1-CB 4.49Å; Y373-I377 HydrophobicContact CE2-CB 4.33Å; Y373-I377 HydrophobicContact CE2-CD1 4.3Å; Y373-I377 VanDerWaalsContact O-CB 3.29Å; Y373-I377 WeakPolarHBondContact O-CB 3.26Å; Y373-I377 WeakPolarHBondContact O-CG2 3.22Å; Y373-I377 PolarHBondContact O-N 3.13Å; Y373-G403 WeakPolarHBondContact OH-CA 3.38Å; Y373-G403 PolarHBondContact OH-N 2.58Å
374	F	98.7	Very high	97.3	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.018	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-42.8	174.9	-179.7	-106.6	0	0	0	111.6	L262 A265 L273 F275 I369 S370 K371 S379 Y380 M394	L262-F374 HydrophobicContact CD2-CE1 4.13Å; L262-F374 HydrophobicContact CD2-CZ 4.02Å; A265-F374 HydrophobicContact CB-CD1 4.38Å; A265-F374 HydrophobicContact CB-CE1 3.84Å; L273-F374 HydrophobicContact CD1-CB 4.25Å; L273-F374 HydrophobicContact CD1-CD1 3.66Å; L273-F374 HydrophobicContact CD1-CE1 4.18Å; L273-F374 HydrophobicContact CD1-CG 4.01Å; F275-F374 HydrophobicContact CZ-CZ 4.38Å; I369-F374 HydrophobicContact CD1-CB 3.95Å; I369-F374 HydrophobicContact CD1-CD2 4.12Å; I369-F374 HydrophobicContact CG1-CB 4.28Å; I369-F374 HydrophobicContact CG2-CB 3.92Å; I369-F374 HydrophobicContact CG2-CD2 4.11Å; I369-F374 HydrophobicContact CG2-CG 4.27Å; S370-F374 WeakPolarHBondContact O-CB 3.37Å; S370-F374 PolarHBondContact O-N 3.42Å; K371-F374 WeakPolarHBondContact O-CB 3.12Å; K371-F374 PolarHBondContact O-N 3.19Å; F374-S379 VanDerWaalsContact CE1-CB 3.45Å; F374-S379 WeakPolarHBondContact O-CA 3.02Å; F374-S379 PolarHBondContact O-N 2.86Å; F374-Y380 HydrophobicContact CE2-CD2 4.12Å; F374-Y380 HydrophobicContact CE2-CE2 4.07Å; F374-Y380 AromaticContact CZ-CD2 3.88Å; F374-Y380 HydrophobicContact CZ-CD2 3.88Å; F374-Y380 HydrophobicContact CZ-CE2 4.11Å; F374-M394 HydrophobicContact CD2-CE 4.07Å; F374-M394 HydrophobicContact CE2-CE 4.26Å
375	E	98.2	Very high	97.3	Very high	115 Å²	115	31.8 Å²	31.8	54%	0.537	15%	0.153	S	C	.	.	H	α-helix	trans	-68.7	-48.5	174.6	-68.7	171.1	-177.1	0	0	111.4	K371 E372 Y373 I377 G378	K371-E375 WeakPolarHBondContact CE-OE1 3.25Å; K371-E375 IonicContact NZ-OE1 3.16Å; K371-E375 WeakPolarHBondContact O-CG 3.37Å; K371-E375 PolarHBondContact O-N 2.7Å; E372-E375 PolarHBondContact O-N 3.33Å; Y373-E375 VanDerWaalsContact C-N 3.31Å; Y373-E375 PolarHBondContact O-N 2.73Å; E375-I377 VanDerWaalsContact C-N 3.33Å; E375-I377 PolarHBondContact O-N 3.26Å; E375-G378 PolarHBondContact O-N 2.7Å
376	Y	98.1	Very high	97.3	Very high	92 Å²	92	32.1 Å²	32.1	36%	0.361	15%	0.153	S	C	.	.	H	α-helix	trans	-56.4	-44.5	-178.9	174.3	-98.6	0	0	0	113.2	P85 E372 Y373 G378 R479 L480	P85-Y376 HydrophobicContact CB-CE1 4.24Å; P85-Y376 HydrophobicContact CG-CD1 4.48Å; P85-Y376 HydrophobicContact CG-CE1 3.73Å; E372-Y376 VanDerWaalsContact O-CB 3.26Å; E372-Y376 WeakPolarHBondContact O-CB 3.49Å; E372-Y376 PolarHBondContact O-N 2.7Å; Y373-Y376 AromaticContact CD2-CD1 3.99Å; Y373-Y376 HydrophobicContact CD2-CD1 3.99Å; Y373-Y376 AromaticContact CE2-CD1 3.98Å; Y373-Y376 HydrophobicContact CE2-CD1 3.98Å; Y373-Y376 HydrophobicContact CE2-CE1 4.46Å; Y373-Y376 PolarHBondContact O-N 2.93Å; Y376-G378 PolarHBondContact O-N 3.05Å; Y376-R479 PolarHBondContact O-NH2 2.81Å; Y376-R479 VanDerWaalsContact O-NH2 3.12Å; Y376-L480 HydrophobicContact CD1-CD2 4.28Å; Y376-L480 HydrophobicContact CE1-CD2 3.55Å; Y376-L480 HydrophobicContact CE2-CD2 3.95Å; Y376-L480 WeakPolarHBondContact OH-CD2 3.33Å
377	I	97.6	Very high	97	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	3.1	-178.6	-154.3	60.2	0	0	0	112.2	Y373 E375 R397 C401 L480	Y373-I377 HydrophobicContact CE1-CB 4.49Å; Y373-I377 HydrophobicContact CE2-CB 4.33Å; Y373-I377 HydrophobicContact CE2-CD1 4.3Å; Y373-I377 VanDerWaalsContact O-CB 3.29Å; Y373-I377 WeakPolarHBondContact O-CB 3.26Å; Y373-I377 WeakPolarHBondContact O-CG2 3.22Å; Y373-I377 PolarHBondContact O-N 3.13Å; E375-I377 VanDerWaalsContact C-N 3.33Å; E375-I377 PolarHBondContact O-N 3.26Å; I377-R397 HydrophobicContact CG1-CG 4.26Å; I377-R397 WeakPolarHBondContact O-CD 3.28Å; I377-R397 PolarHBondContact O-NH1 3.49Å; I377-C401 HydrophobicContact CD1-CB 3.5Å; I377-L480 HydrophobicContact CD1-CD1 3.73Å
378	G	97.6	Very high	96.6	Very high	8 Å²	8	37.9 Å²	37.9	8%	0.082	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	32.5	174	0	0	0	0	0	114.6	E375 Y376 Y380 R473	E375-G378 PolarHBondContact O-N 2.7Å; Y376-G378 PolarHBondContact O-N 3.05Å; G378-Y380 PolarHBondContact O-N 3.49Å; G378-R473 PolarHBondContact O-NH1 3.25Å
379	S	97.8	Very high	96.4	Very high	22 Å²	22	38.1 Å²	38.1	15%	0.154	18%	0.177	C	C	.	.			trans	41.7	-112.8	172.6	67.3	0	0	0	0	114.2	F374 R397	F374-S379 VanDerWaalsContact CE1-CB 3.45Å; F374-S379 WeakPolarHBondContact O-CA 3.02Å; F374-S379 PolarHBondContact O-N 2.86Å; S379-R397 PolarHBondContact O-NH1 3.37Å; S379-R397 PolarHBondContact O-NH2 2.97Å
380	Y	98.2	Very high	96.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.008	18%	0.178	C	C	.	.	S	Bend	trans	-118.4	165.7	167.1	-77.3	-68	0	0	0	110.7	I258 R261 L262 F367 F374 G378 E382 E390 M394 R473	I258-Y380 HydrophobicContact CG2-CD2 4.38Å; I258-Y380 HydrophobicContact CG2-CG 3.99Å; R261-Y380 HydrophobicContact CB-CE2 4.29Å; R261-Y380 PolarHBondContact NH1-OH 3.06Å; R261-Y380 VanDerWaalsContact NH1-OH 3.1Å; L262-Y380 HydrophobicContact CD2-CD2 4.26Å; L262-Y380 HydrophobicContact CG-CD2 4.48Å; F367-Y380 WeakPolarHBondContact CE1-OH 3.41Å; F367-Y380 WeakPolarHBondContact CZ-OH 3.3Å; F374-Y380 HydrophobicContact CE2-CD2 4.12Å; F374-Y380 HydrophobicContact CE2-CE2 4.07Å; F374-Y380 AromaticContact CZ-CD2 3.88Å; F374-Y380 HydrophobicContact CZ-CD2 3.88Å; F374-Y380 HydrophobicContact CZ-CE2 4.11Å; G378-Y380 PolarHBondContact O-N 3.49Å; Y380-E382 PolarHBondContact O-N 3.16Å; Y380-E390 HydrophobicContact CD1-CB 4.04Å; Y380-E390 HydrophobicContact CD1-CG 4.39Å; Y380-E390 HydrophobicContact CE1-CB 3.99Å; Y380-E390 HydrophobicContact CE1-CG 3.9Å; Y380-M394 HydrophobicContact CD1-SD 4.47Å; Y380-M394 HydrophobicContact CE1-CB 4.27Å; Y380-M394 HydrophobicContact CE1-SD 3.72Å; Y380-R473 PolarHBondContact O-NH1 2.98Å
381	D	97.9	Very high	96.3	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.037	18%	0.177	C	C	.	.			trans	-74.6	103.2	166	-177.9	13.4	0	0	0	110.1	E383 M384 R438 R473	D381-E383 PolarHBondContact O-N 3.25Å; D381-E383 VanDerWaalsContact O-N 3.08Å; D381-E383 PolarHBondContact OD1-N 3.3Å; D381-M384 HydrophobicContact CB-CE 4.34Å; D381-M384 HydrophobicContact CB-CG 3.99Å; D381-M384 HydrophobicContact CB-SD 4.27Å; D381-M384 WeakPolarHBondContact O-CB 3.34Å; D381-M384 PolarHBondContact O-N 3.14Å; D381-R438 VanDerWaalsContact CG-NH2 3.31Å; D381-R438 IonicContact OD1-CZ 3.56Å; D381-R438 IonicContact OD1-NE 2.71Å; D381-R438 IonicContact OD1-NH2 3.65Å; D381-R438 PolarHBondContact OD1-NH2 2.87Å; D381-R438 IonicContact OD2-CZ 3.72Å; D381-R438 VanDerWaalsContact OD2-CZ 3.24Å; D381-R438 IonicContact OD2-NE 3.78Å; D381-R438 PolarHBondContact OD2-NE 3.33Å; D381-R438 IonicContact OD2-NH2 2.84Å; D381-R438 PolarHBondContact OD2-NH2 3.36Å; D381-R473 HydrophobicContact CB-CG 4.47Å
382	E	95.3	Very high	96.3	Very high	110 Å²	110	36.3 Å²	36.3	51%	0.514	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.9	-176.7	-67.1	167.9	-170.5	0	0	114.2	L262 Y380 K472	L262-E382 HydrophobicContact CD1-CG 3.74Å; Y380-E382 PolarHBondContact O-N 3.16Å; E382-K472 IonicContact OE2-NZ 3.68Å
383	E	96.4	Very high	96.3	Very high	100 Å²	100	32.5 Å²	32.5	47%	0.467	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-1	-178.2	-64.1	-65.2	142.7	0	0	113	D381 R434 R438	D381-E383 PolarHBondContact O-N 3.25Å; D381-E383 VanDerWaalsContact O-N 3.08Å; D381-E383 PolarHBondContact OD1-N 3.3Å; E383-R434 PolarHBondContact O-NH1 3.3Å; E383-R434 PolarHBondContact O-NH2 2.88Å; E383-R434 VanDerWaalsContact O-NH2 3.12Å; E383-R438 VanDerWaalsContact CB-NH2 3.31Å
384	M	96	Very high	96.3	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	15%	0.15	C	C	.	.			trans	-75.6	134.6	167.6	-73.1	-173.3	174.6	0	0	110.1	I258 D381 E390 E393 N435 R438 L439	I258-M384 HydrophobicContact CD1-CB 3.22Å; I258-M384 HydrophobicContact CD1-CG 4.23Å; I258-M384 HydrophobicContact CD1-SD 4.05Å; D381-M384 HydrophobicContact CB-CE 4.34Å; D381-M384 HydrophobicContact CB-CG 3.99Å; D381-M384 HydrophobicContact CB-SD 4.27Å; D381-M384 WeakPolarHBondContact O-CB 3.34Å; D381-M384 PolarHBondContact O-N 3.14Å; M384-E390 HydrophobicContact SD-CB 3.99Å; M384-E393 HydrophobicContact CE-CB 3.79Å; M384-E393 HydrophobicContact CE-CG 3.77Å; M384-N435 VanDerWaalsContact CA-OD1 3.31Å; M384-N435 WeakPolarHBondContact CA-OD1 3.32Å; M384-N435 HydrophobicContact CB-CB 4.42Å; M384-N435 HydrophobicContact CE-CB 4.46Å; M384-N435 WeakPolarHBondContact CE-O 3.19Å; M384-N435 HydrophobicContact CG-CB 4.03Å; M384-N435 HydrophobicContact SD-CB 4.24Å; M384-R438 HydrophobicContact CE-CB 4.47Å; M384-L439 HydrophobicContact CE-CB 3.99Å
385	E	91.8	Very high	96.3	Very high	49 Å²	49	32.1 Å²	32.1	23%	0.229	15%	0.149	C	C	.	.			trans	-109.3	147.5	-170.7	-62.9	169.4	108.1	0	0	111.7	W387 K427 V431 R434 N435	E385-W387 PolarHBondContact O-N 2.64Å; E385-K427 IonicContact OE1-NZ 2.66Å; E385-K427 PolarHBondContact OE1-NZ 3.19Å; E385-V431 HydrophobicContact CB-CG1 3.66Å; E385-V431 WeakPolarHBondContact O-CG1 3.47Å; E385-R434 IonicContact OE2-CZ 3.56Å; E385-R434 IonicContact OE2-NE 3.88Å; E385-R434 IonicContact OE2-NH1 3.24Å; E385-R434 PolarHBondContact OE2-NH1 2.91Å; E385-N435 PolarHBondContact N-OD1 2.93Å; E385-N435 PolarHBondContact O-ND2 3.06Å
386	I	90.3	Very high	96.4	Very high	18 Å²	18	26.7 Å²	26.7	9%	0.092	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	59.9	-81.8	172.6	-51.8	-52.3	0	0	0	113.9	G256 L257 F425 V431	G256-I386 CarbonylContact C-O 3.55Å; G256-I386 WeakPolarHBondContact CA-O 3.43Å; L257-I386 PolarHBondContact N-O 3.08Å; I386-F425 HydrophobicContact CG2-CD1 3.97Å; I386-F425 HydrophobicContact CG2-CE1 3.95Å; I386-V431 HydrophobicContact CB-CG1 4.21Å; I386-V431 HydrophobicContact CG1-CG1 4.34Å
387	W	91.9	Very high	96.4	Very high	124 Å²	124	22.3 Å²	22.3	47%	0.47	11%	0.106	S	C	.	.	S	Bend	trans	-168.4	150.7	-174.8	178.3	80.6	0	0	0	110.2	E385 F425 I432	E385-W387 PolarHBondContact O-N 2.64Å; W387-F425 HydrophobicContact CE3-CZ 4.5Å; W387-I432 HydrophobicContact CE3-CD1 4.26Å; W387-I432 HydrophobicContact CZ3-CD1 4.19Å
388	G	90.6	Very high	96.4	Very high	2 Å²	2	22.3 Å²	22.3	2%	0.021	11%	0.106	C	C	.	.	S	Bend	trans	108.5	132.1	167.9	0	0	0	0	0	112.3	E390 N435	G388-E390 VanDerWaalsContact C-N 3.31Å; G388-E390 VanDerWaalsContact CA-OE2 3.32Å; G388-E390 WeakPolarHBondContact CA-OE2 3.28Å; G388-E390 PolarHBondContact N-OE2 3.28Å; G388-E390 PolarHBondContact O-N 2.69Å; G388-N435 WeakPolarHBondContact O-CB 3.28Å; G388-N435 PolarHBondContact O-ND2 2.77Å
389	G	94.6	Very high	96.5	Very high	5 Å²	5	22.5 Å²	22.5	5%	0.052	11%	0.105	C	C	.	.	S	Bend	trans	88.2	-20.5	177.8	0	0	0	0	0	114.6	N391 I392 E393 L439	G389-N391 VanDerWaalsContact C-N 3.28Å; G389-N391 PolarHBondContact O-N 3.49Å; G389-I392 PolarHBondContact O-N 2.78Å; G389-E393 WeakPolarHBondContact O-CB 3.5Å; G389-E393 PolarHBondContact O-N 3.02Å; G389-L439 WeakPolarHBondContact O-CD2 2.89Å
390	E	97.6	Very high	96.6	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.019	10%	0.097	C	C	.	.	H	α-helix	trans	-65.1	-32.5	-176.4	79.6	-67.9	167.4	0	0	113	I258 Y380 M384 G388 M394	I258-E390 HydrophobicContact CD1-CB 3.66Å; I258-E390 HydrophobicContact CD1-CG 4.2Å; I258-E390 HydrophobicContact CG1-CB 3.92Å; I258-E390 HydrophobicContact CG1-CG 3.98Å; Y380-E390 HydrophobicContact CD1-CB 4.04Å; Y380-E390 HydrophobicContact CD1-CG 4.39Å; Y380-E390 HydrophobicContact CE1-CB 3.99Å; Y380-E390 HydrophobicContact CE1-CG 3.9Å; M384-E390 HydrophobicContact SD-CB 3.99Å; G388-E390 VanDerWaalsContact C-N 3.31Å; G388-E390 VanDerWaalsContact CA-OE2 3.32Å; G388-E390 WeakPolarHBondContact CA-OE2 3.28Å; G388-E390 PolarHBondContact N-OE2 3.28Å; G388-E390 PolarHBondContact O-N 2.69Å; E390-M394 VanDerWaalsContact O-CB 3.27Å; E390-M394 WeakPolarHBondContact O-CB 3.39Å; E390-M394 PolarHBondContact O-N 3.33Å
391	N	97.9	Very high	96.6	Very high	12 Å²	12	21.9 Å²	21.9	6%	0.064	10%	0.101	C	C	.	.	H	α-helix	trans	-69.9	-39.3	176.7	67	-49.5	0	0	0	111.4	F362 G389 S395	F362-N391 HydrophobicContact CD1-CB 4.3Å; F362-N391 HydrophobicContact CE1-CB 4.06Å; F362-N391 VanDerWaalsContact CE1-O 3.23Å; F362-N391 WeakPolarHBondContact CE1-O 3.45Å; F362-N391 PolarHBondContact O-ND2 2.8Å; G389-N391 VanDerWaalsContact C-N 3.28Å; G389-N391 PolarHBondContact O-N 3.49Å; N391-S395 WeakPolarHBondContact O-CB 3.27Å; N391-S395 PolarHBondContact O-N 3.45Å; N391-S395 PolarHBondContact O-OG 3.17Å
392	I	98.6	Very high	96.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-71	-43.5	175.5	-56.4	-55.5	0	0	0	110.7	F331 F337 T361 G389 M394 S395 F396 L439	F331-I392 HydrophobicContact CB-CD1 4.07Å; F337-I392 HydrophobicContact CB-CD1 4.15Å; F337-I392 HydrophobicContact CD2-CD1 4.35Å; T361-I392 HydrophobicContact CG2-CD1 3.96Å; G389-I392 PolarHBondContact O-N 2.78Å; I392-M394 PolarHBondContact O-N 3.03Å; I392-S395 WeakPolarHBondContact O-CB 3.25Å; I392-S395 PolarHBondContact O-N 2.87Å; I392-F396 HydrophobicContact CG2-CD1 4.46Å; I392-F396 HydrophobicContact CG2-CD2 4.09Å; I392-F396 HydrophobicContact CG2-CE1 3.93Å; I392-F396 HydrophobicContact CG2-CE2 3.52Å; I392-F396 HydrophobicContact CG2-CZ 3.43Å; I392-F396 VanDerWaalsContact CG2-CZ 3.43Å; I392-F396 WeakPolarHBondContact O-CG 3.14Å; I392-F396 PolarHBondContact O-N 2.92Å; I392-L439 HydrophobicContact CB-CD2 4.13Å; I392-L439 HydrophobicContact CG2-CD1 4.08Å; I392-L439 HydrophobicContact CG2-CD2 4.31Å
393	E	98.8	Very high	96.7	Very high	3 Å²	3	18.3 Å²	18.3	1%	0.014	10%	0.095	C	C	.	.	H	α-helix	trans	-56.5	-49.4	175.7	-170.3	-80.4	162.2	0	0	111.8	M384 G389 S395 F396 R397 L439 W443 R473	M384-E393 HydrophobicContact CE-CB 3.79Å; M384-E393 HydrophobicContact CE-CG 3.77Å; G389-E393 WeakPolarHBondContact O-CB 3.5Å; G389-E393 PolarHBondContact O-N 3.02Å; E393-S395 VanDerWaalsContact C-N 3.31Å; E393-S395 PolarHBondContact O-N 3.32Å; E393-F396 PolarHBondContact O-N 3.35Å; E393-R397 VanDerWaalsContact O-CB 3.27Å; E393-R397 WeakPolarHBondContact O-CB 3.21Å; E393-R397 PolarHBondContact O-N 3.1Å; E393-R397 IonicContact OE1-NE 2.81Å; E393-R397 PolarHBondContact OE1-NE 3.39Å; E393-R397 VanDerWaalsContact OE1-NE 3.12Å; E393-R397 IonicContact OE2-CZ 3.61Å; E393-R397 IonicContact OE2-NE 3.71Å; E393-R397 PolarHBondContact OE2-NE 3.03Å; E393-R397 VanDerWaalsContact OE2-NE 3.09Å; E393-R397 IonicContact OE2-NH2 2.76Å; E393-R397 PolarHBondContact OE2-NH2 2.72Å; E393-L439 HydrophobicContact CB-CB 3.64Å; E393-L439 HydrophobicContact CB-CD2 4.22Å; E393-L439 HydrophobicContact CB-CG 4.49Å; E393-L439 HydrophobicContact CG-CB 3.71Å; E393-W443 PolarHBondContact OE1-NE1 2.87Å; E393-R473 IonicContact OE1-CZ 2.73Å; E393-R473 IonicContact OE1-NE 3.14Å; E393-R473 IonicContact OE1-NH2 2.79Å; E393-R473 PolarHBondContact OE1-NH2 3.15Å; E393-R473 IonicContact OE2-NH2 3.26Å
394	M	98.8	Very high	96.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67.3	-35.7	-179.9	-174.4	168.7	-178.2	0	0	110.9	V301 F362 F367 I369 F374 Y380 E390 I392 V398	V301-M394 HydrophobicContact CG1-CE 4.32Å; F362-M394 HydrophobicContact CE1-CB 4.15Å; F362-M394 HydrophobicContact CE1-CG 4.39Å; F362-M394 HydrophobicContact CZ-CB 4.29Å; F362-M394 HydrophobicContact CZ-CG 4.15Å; F362-M394 HydrophobicContact CZ-SD 3.84Å; F367-M394 HydrophobicContact CE2-CE 3.86Å; F367-M394 HydrophobicContact CE2-SD 4.4Å; F367-M394 HydrophobicContact CZ-CE 4.18Å; F367-M394 HydrophobicContact CZ-SD 4.16Å; I369-M394 HydrophobicContact CD1-CE 3.69Å; F374-M394 HydrophobicContact CD2-CE 4.07Å; F374-M394 HydrophobicContact CE2-CE 4.26Å; Y380-M394 HydrophobicContact CD1-SD 4.47Å; Y380-M394 HydrophobicContact CE1-CB 4.27Å; Y380-M394 HydrophobicContact CE1-SD 3.72Å; E390-M394 VanDerWaalsContact O-CB 3.27Å; E390-M394 WeakPolarHBondContact O-CB 3.39Å; E390-M394 PolarHBondContact O-N 3.33Å; I392-M394 PolarHBondContact O-N 3.03Å; M394-V398 HydrophobicContact CE-CG2 4.45Å; M394-V398 HydrophobicContact CG-CG2 4.04Å; M394-V398 VanDerWaalsContact O-CB 3.3Å; M394-V398 WeakPolarHBondContact O-CB 3.29Å; M394-V398 WeakPolarHBondContact O-CG2 3.21Å; M394-V398 PolarHBondContact O-N 3.18Å
395	S	98.9	Very high	96.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.1	-51.7	176.1	-60.9	0	0	0	0	111.8	T361 F362 N391 I392 E393 V398 W399 L405	T361-S395 VanDerWaalsContact CA-OG 3.31Å; T361-S395 WeakPolarHBondContact CA-OG 3.48Å; F362-S395 VanDerWaalsContact CD1-OG 3.27Å; F362-S395 WeakPolarHBondContact CD1-OG 3.37Å; F362-S395 PolarHBondContact N-OG 3.45Å; N391-S395 WeakPolarHBondContact O-CB 3.27Å; N391-S395 PolarHBondContact O-N 3.45Å; N391-S395 PolarHBondContact O-OG 3.17Å; I392-S395 WeakPolarHBondContact O-CB 3.25Å; I392-S395 PolarHBondContact O-N 2.87Å; E393-S395 VanDerWaalsContact C-N 3.31Å; E393-S395 PolarHBondContact O-N 3.32Å; S395-V398 PolarHBondContact O-N 3.15Å; S395-W399 PolarHBondContact O-N 2.86Å; S395-L405 WeakPolarHBondContact OG-CD2 3.39Å
396	F	98.8	Very high	97.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.5	-48.2	179.2	-67.5	-10.1	0	0	0	111.1	F331 L335 T361 I392 E393 W399 Q400 L439 W443 M444 F485 Y488	F331-F396 AromaticContact CD1-CE1 3.85Å; F331-F396 HydrophobicContact CD1-CE1 3.85Å; F331-F396 AromaticContact CD1-CZ 3.98Å; F331-F396 HydrophobicContact CD1-CZ 3.98Å; F331-F396 HydrophobicContact CD2-CZ 4.09Å; F331-F396 AromaticContact CE1-CE1 3.75Å; F331-F396 HydrophobicContact CE1-CE1 3.75Å; F331-F396 AromaticContact CE1-CZ 3.9Å; F331-F396 HydrophobicContact CE1-CZ 3.9Å; F331-F396 HydrophobicContact CE2-CZ 4.03Å; F331-F396 HydrophobicContact CG-CE1 4.38Å; F331-F396 HydrophobicContact CG-CZ 4.1Å; F331-F396 HydrophobicContact CZ-CE1 4.21Å; F331-F396 AromaticContact CZ-CZ 3.94Å; F331-F396 HydrophobicContact CZ-CZ 3.94Å; L335-F396 HydrophobicContact CD2-CE2 4.41Å; T361-F396 HydrophobicContact CG2-CE1 4.37Å; I392-F396 HydrophobicContact CG2-CD1 4.46Å; I392-F396 HydrophobicContact CG2-CD2 4.09Å; I392-F396 HydrophobicContact CG2-CE1 3.93Å; I392-F396 HydrophobicContact CG2-CE2 3.52Å; I392-F396 HydrophobicContact CG2-CZ 3.43Å; I392-F396 VanDerWaalsContact CG2-CZ 3.43Å; I392-F396 WeakPolarHBondContact O-CG 3.14Å; I392-F396 PolarHBondContact O-N 2.92Å; E393-F396 PolarHBondContact O-N 3.35Å; F396-W399 PolarHBondContact O-N 2.74Å; F396-Q400 WeakPolarHBondContact O-CB 3.37Å; F396-Q400 VanDerWaalsContact O-CG 3.27Å; F396-Q400 WeakPolarHBondContact O-CG 3.37Å; F396-Q400 PolarHBondContact O-N 3.12Å; F396-Q400 PolarHBondContact O-OE1 3.14Å; F396-L439 HydrophobicContact CD2-CD1 3.95Å; F396-L439 HydrophobicContact CE2-CD1 3.8Å; F396-W443 HydrophobicContact CB-CB 3.97Å; F396-W443 HydrophobicContact CB-CG 4.24Å; F396-W443 HydrophobicContact CD2-CB 4.06Å; F396-M444 HydrophobicContact CD2-CG 4.27Å; F396-M444 HydrophobicContact CE2-CG 3.87Å; F396-M444 HydrophobicContact CE2-SD 4.21Å; F396-F485 AromaticContact CD1-CE2 3.94Å; F396-F485 HydrophobicContact CD1-CE2 3.94Å; F396-F485 AromaticContact CD2-CE2 3.72Å; F396-F485 HydrophobicContact CD2-CE2 3.72Å; F396-F485 HydrophobicContact CD2-CZ 4.43Å; F396-F485 AromaticContact CE1-CE2 3.87Å; F396-F485 HydrophobicContact CE1-CE2 3.87Å; F396-F485 HydrophobicContact CE1-CZ 4.09Å; F396-F485 AromaticContact CE2-CE2 3.63Å; F396-F485 HydrophobicContact CE2-CE2 3.63Å; F396-F485 AromaticContact CE2-CZ 3.88Å; F396-F485 HydrophobicContact CE2-CZ 3.88Å; F396-F485 AromaticContact CG-CE2 3.89Å; F396-F485 HydrophobicContact CG-CE2 3.89Å; F396-F485 AromaticContact CZ-CE2 3.71Å; F396-F485 HydrophobicContact CZ-CE2 3.71Å; F396-F485 AromaticContact CZ-CZ 3.69Å; F396-F485 HydrophobicContact CZ-CZ 3.69Å; F396-Y488 AromaticContact CD1-CE1 3.96Å; F396-Y488 HydrophobicContact CD1-CE1 3.96Å; F396-Y488 HydrophobicContact CD1-CE2 4.08Å; F396-Y488 AromaticContact CD1-CZ 3.68Å; F396-Y488 AromaticContact CE1-CE1 3.78Å; F396-Y488 HydrophobicContact CE1-CE1 3.78Å; F396-Y488 AromaticContact CE1-CZ 3.77Å
397	R	98.8	Very high	97.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.3	-49.6	178.2	175.6	164.8	47.5	95.1	2.3	112.8	I377 S379 E393 W399 Q400 C401 W443 R473	I377-R397 HydrophobicContact CG1-CG 4.26Å; I377-R397 WeakPolarHBondContact O-CD 3.28Å; I377-R397 PolarHBondContact O-NH1 3.49Å; S379-R397 PolarHBondContact O-NH1 3.37Å; S379-R397 PolarHBondContact O-NH2 2.97Å; E393-R397 VanDerWaalsContact O-CB 3.27Å; E393-R397 WeakPolarHBondContact O-CB 3.21Å; E393-R397 PolarHBondContact O-N 3.1Å; E393-R397 IonicContact OE1-NE 2.81Å; E393-R397 PolarHBondContact OE1-NE 3.39Å; E393-R397 VanDerWaalsContact OE1-NE 3.12Å; E393-R397 IonicContact OE2-CZ 3.61Å; E393-R397 IonicContact OE2-NE 3.71Å; E393-R397 PolarHBondContact OE2-NE 3.03Å; E393-R397 VanDerWaalsContact OE2-NE 3.09Å; E393-R397 IonicContact OE2-NH2 2.76Å; E393-R397 PolarHBondContact OE2-NH2 2.72Å; R397-W399 VanDerWaalsContact C-N 3.34Å; R397-W399 PolarHBondContact O-N 3.43Å; R397-Q400 PolarHBondContact O-N 3.09Å; R397-C401 WeakPolarHBondContact O-CB 3.48Å; R397-C401 PolarHBondContact O-N 2.74Å; R397-C401 PolarHBondContact O-SG 2.92Å; R397-W443 HydrophobicContact CB-CD2 4.21Å; R397-W443 HydrophobicContact CB-CE3 4.37Å; R397-W443 HydrophobicContact CB-CH2 3.83Å; R397-W443 HydrophobicContact CB-CZ2 3.64Å; R397-W443 HydrophobicContact CB-CZ3 4.17Å; R397-W443 VanDerWaalsContact CD-CZ2 3.47Å; R397-W443 HydrophobicContact CG-CH2 3.58Å; R397-W443 HydrophobicContact CG-CZ2 3.58Å; R397-W443 HydrophobicContact CG-CZ3 4.28Å; R397-R473 VanDerWaalsContact CD-NH2 3.31Å
398	V	98.8	Very high	98	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-57.5	-49.6	-179.4	166	0	0	0	0	110.1	V301 M394 S395 G402 G403	V301-V398 HydrophobicContact CG2-CG1 3.92Å; V301-V398 HydrophobicContact CG2-CG2 3.86Å; M394-V398 HydrophobicContact CE-CG2 4.45Å; M394-V398 HydrophobicContact CG-CG2 4.04Å; M394-V398 VanDerWaalsContact O-CB 3.3Å; M394-V398 WeakPolarHBondContact O-CB 3.29Å; M394-V398 WeakPolarHBondContact O-CG2 3.21Å; M394-V398 PolarHBondContact O-N 3.18Å; S395-V398 PolarHBondContact O-N 3.15Å; V398-G402 PolarHBondContact O-N 3.43Å; V398-G403 VanDerWaalsContact O-CA 3.29Å; V398-G403 WeakPolarHBondContact O-CA 3.33Å; V398-G403 PolarHBondContact O-N 2.83Å
399	W	98.8	Very high	98.3	Very high	12 Å²	12	7.7 Å²	7.7	5%	0.045	5%	0.05	C	C	.	.	H	α-helix	trans	-67.3	-50.1	180	-81.3	120	0	0	0	113.2	K358 T359 P360 S395 F396 R397 C401 G402 Q404 L405 W487 Y488 I492	K358-W399 HydrophobicContact CB-CH2 4.46Å; K358-W399 HydrophobicContact CD-CH2 4.3Å; K358-W399 HydrophobicContact CG-CH2 4.35Å; T359-W399 PolarHBondContact O-NE1 2.96Å; P360-W399 VanDerWaalsContact O-CD1 3.32Å; P360-W399 PolarHBondContact O-NE1 2.94Å; S395-W399 PolarHBondContact O-N 2.86Å; F396-W399 PolarHBondContact O-N 2.74Å; R397-W399 VanDerWaalsContact C-N 3.34Å; R397-W399 PolarHBondContact O-N 3.43Å; W399-C401 PolarHBondContact O-N 2.79Å; W399-G402 PolarHBondContact O-N 2.96Å; W399-Q404 HydrophobicContact CH2-CB 4.19Å; W399-Q404 HydrophobicContact CH2-CG 4.36Å; W399-Q404 HydrophobicContact CZ3-CB 4.23Å; W399-Q404 HydrophobicContact CZ3-CG 4.04Å; W399-L405 HydrophobicContact CZ2-CB 4.02Å; W399-L405 WeakPolarHBondContact CZ2-O 3.41Å; W399-W487 WeakPolarHBondContact O-CZ3 3.46Å; W399-Y488 HydrophobicContact CB-CD2 3.76Å; W399-Y488 HydrophobicContact CB-CE2 3.89Å; W399-Y488 AromaticContact CD1-CE2 3.75Å; W399-Y488 HydrophobicContact CG-CD2 4.3Å; W399-Y488 HydrophobicContact CG-CE2 4.01Å; W399-I492 HydrophobicContact CB-CG1 4.15Å; W399-I492 HydrophobicContact CD2-CB 4.47Å; W399-I492 HydrophobicContact CD2-CD1 3.78Å; W399-I492 HydrophobicContact CD2-CG1 3.95Å; W399-I492 HydrophobicContact CD2-CG2 3.68Å; W399-I492 HydrophobicContact CE3-CD1 3.32Å; W399-I492 HydrophobicContact CE3-CG1 3.98Å; W399-I492 HydrophobicContact CE3-CG2 4.36Å; W399-I492 HydrophobicContact CG-CD1 4.41Å; W399-I492 HydrophobicContact CG-CG1 4.07Å; W399-I492 HydrophobicContact CG-CG2 3.78Å; W399-I492 HydrophobicContact CH2-CD1 4.35Å; W399-I492 HydrophobicContact CZ2-CG2 4.17Å; W399-I492 HydrophobicContact CZ3-CD1 3.65Å
400	Q	98.8	Very high	98.5	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.9	-31.3	-177.5	-73	177.2	-93.8	0	0	111.9	F396 R397 W443 C482 K483 N484	F396-Q400 WeakPolarHBondContact O-CB 3.37Å; F396-Q400 VanDerWaalsContact O-CG 3.27Å; F396-Q400 WeakPolarHBondContact O-CG 3.37Å; F396-Q400 PolarHBondContact O-N 3.12Å; F396-Q400 PolarHBondContact O-OE1 3.14Å; R397-Q400 PolarHBondContact O-N 3.09Å; Q400-W443 HydrophobicContact CB-CE3 4.37Å; Q400-W443 HydrophobicContact CB-CZ3 4.37Å; Q400-W443 PolarHBondContact NE2-O 2.84Å; Q400-W443 VanDerWaalsContact NE2-O 3.15Å; Q400-W443 PolarHBondContact OE1-O 2.84Å; Q400-C482 HydrophobicContact CB-CB 4.22Å; Q400-C482 CarbonylContact O-C 3.1Å; Q400-C482 VanDerWaalsContact O-CA 3.27Å; Q400-C482 WeakPolarHBondContact O-CA 3.33Å; Q400-K483 WeakPolarHBondContact CB-O 3.29Å; Q400-K483 WeakPolarHBondContact CG-O 3.38Å; Q400-K483 PolarHBondContact NE2-O 3.35Å; Q400-K483 PolarHBondContact O-N 3.09Å; Q400-N484 VanDerWaalsContact NE2-C 3.33Å
401	C	98.6	Very high	98.6	Very high	12 Å²	12	7.3 Å²	7.3	8%	0.081	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	15.7	-178.9	-53.4	0	0	0	0	113.9	I377 R397 W399 W443 L480 C482	I377-C401 HydrophobicContact CD1-CB 3.5Å; R397-C401 WeakPolarHBondContact O-CB 3.48Å; R397-C401 PolarHBondContact O-N 2.74Å; R397-C401 PolarHBondContact O-SG 2.92Å; W399-C401 PolarHBondContact O-N 2.79Å; C401-W443 VanDerWaalsContact SG-CH2 3.58Å; C401-W443 VanDerWaalsContact SG-CZ3 3.56Å; C401-L480 HydrophobicContact CB-CB 4.34Å; C401-L480 HydrophobicContact CB-CD1 4.25Å; C401-C482 HydrophobicContact CB-CB 4.02Å; C401-C482 WeakPolarHBondContact CB-SG 3.39Å; C401-C482 WeakPolarHBondContact SG-CB 3.14Å; C401-C482 CovalentContact SG-SG 2.03Å; C401-C482 PolarHBondContact SG-SG 3.33Å
402	G	97.4	Very high	98.6	Very high	38 Å²	38	6.9 Å²	6.9	39%	0.392	5%	0.045	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	5.1	167.2	0	0	0	0	0	116.5	V398 W399	V398-G402 PolarHBondContact O-N 3.43Å; W399-G402 PolarHBondContact O-N 2.96Å
403	G	98.3	Very high	98.6	Very high	4 Å²	4	6.9 Å²	6.9	4%	0.041	5%	0.045	C	C	.	.			trans	-81.4	-173.5	171.7	0	0	0	0	0	113.6	T299 Y373 V398	T299-G403 WeakPolarHBondContact O-CA 3.21Å; Y373-G403 WeakPolarHBondContact OH-CA 3.38Å; Y373-G403 PolarHBondContact OH-N 2.58Å; V398-G403 VanDerWaalsContact O-CA 3.29Å; V398-G403 WeakPolarHBondContact O-CA 3.33Å; V398-G403 PolarHBondContact O-N 2.83Å
404	Q	98.4	Very high	98.6	Very high	52 Å²	52	6.8 Å²	6.8	24%	0.243	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	137.7	175.1	-64.1	-178.8	-9.2	0	0	109.7	N297 T299 A300 V301 W399 E406	N297-Q404 PolarHBondContact ND2-OE1 2.92Å; N297-Q404 VanDerWaalsContact ND2-OE1 3.12Å; T299-Q404 PolarHBondContact O-N 3.24Å; A300-Q404 WeakPolarHBondContact CA-O 3.41Å; V301-Q404 PolarHBondContact N-O 3.42Å; W399-Q404 HydrophobicContact CH2-CB 4.19Å; W399-Q404 HydrophobicContact CH2-CG 4.36Å; W399-Q404 HydrophobicContact CZ3-CB 4.23Å; W399-Q404 HydrophobicContact CZ3-CG 4.04Å; Q404-E406 HydrophobicContact CB-CG 4.35Å; Q404-E406 PolarHBondContact OE1-OE1 3Å; Q404-E406 VanDerWaalsContact OE1-OE1 3.14Å
405	L	98.8	Very high	98.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.8	173.7	-158.8	66.4	0	0	0	108.6	V301 T359 F362 S395 W399	V301-L405 HydrophobicContact CB-CD1 3.66Å; V301-L405 HydrophobicContact CG1-CD1 3.72Å; V301-L405 WeakPolarHBondContact O-CA 3.36Å; T359-L405 HydrophobicContact CG2-CB 4.18Å; T359-L405 HydrophobicContact CG2-CD2 4.13Å; T359-L405 HydrophobicContact CG2-CG 3.84Å; T359-L405 PolarHBondContact N-O 2.97Å; F362-L405 HydrophobicContact CB-CD1 4.3Å; F362-L405 HydrophobicContact CB-CD2 3.87Å; F362-L405 HydrophobicContact CB-CG 4.14Å; F362-L405 HydrophobicContact CD1-CD1 4.34Å; F362-L405 HydrophobicContact CD1-CD2 4.01Å; F362-L405 HydrophobicContact CD2-CD1 4.06Å; F362-L405 HydrophobicContact CE2-CD1 4.45Å; F362-L405 HydrophobicContact CG-CD1 4Å; F362-L405 HydrophobicContact CG-CD2 4.03Å; F362-L405 HydrophobicContact CG-CG 4.33Å; S395-L405 WeakPolarHBondContact OG-CD2 3.39Å; W399-L405 HydrophobicContact CZ2-CB 4.02Å; W399-L405 WeakPolarHBondContact CZ2-O 3.41Å
406	E	98.9	Very high	98.6	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.009	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.9	-169.2	-63	176.3	158.2	0	0	112.1	R293 V301 V302 S303 P356 I357 Q404	R293-E406 WeakPolarHBondContact CG-OE2 3.3Å; R293-E406 IonicContact CZ-OE1 3.57Å; R293-E406 IonicContact CZ-OE2 2.72Å; R293-E406 IonicContact NE-OE1 3.52Å; R293-E406 IonicContact NE-OE2 2.78Å; R293-E406 PolarHBondContact NE-OE2 3.01Å; R293-E406 IonicContact NH2-OE1 2.79Å; R293-E406 PolarHBondContact NH2-OE1 2.8Å; R293-E406 IonicContact NH2-OE2 2.73Å; R293-E406 PolarHBondContact NH2-OE2 2.86Å; V301-E406 PolarHBondContact O-N 2.94Å; V302-E406 CarbonylContact C-O 3.52Å; V302-E406 WeakPolarHBondContact CA-O 3.23Å; V302-E406 HydrophobicContact CG1-CB 4.35Å; S303-E406 PolarHBondContact N-O 2.78Å; P356-E406 HydrophobicContact CB-CB 3.92Å; P356-E406 HydrophobicContact CB-CG 4.02Å; I357-E406 CarbonylContact O-C 3.58Å; I357-E406 WeakPolarHBondContact O-CA 3.37Å; Q404-E406 HydrophobicContact CB-CG 4.35Å; Q404-E406 PolarHBondContact OE1-OE1 3Å; Q404-E406 VanDerWaalsContact OE1-OE1 3.14Å
407	I	98.8	Very high	98.3	Very high	5 Å²	5	11.2 Å²	11.2	3%	0.026	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.5	168.5	-62.7	164.3	0	0	0	107.7	S303 D305 W339 I357 T359 P409	S303-I407 CarbonylContact O-C 3.58Å; S303-I407 WeakPolarHBondContact O-CA 3.13Å; D305-I407 HydrophobicContact CB-CG2 4.21Å; W339-I407 HydrophobicContact CZ3-CD1 4.05Å; I357-I407 HydrophobicContact CB-CB 4.24Å; I357-I407 PolarHBondContact N-O 3.39Å; I357-I407 PolarHBondContact O-N 3.06Å; T359-I407 HydrophobicContact CG2-CD1 4.19Å; T359-I407 HydrophobicContact CG2-CG1 3.99Å; I407-P409 WeakPolarHBondContact O-CD 3.44Å
408	M	98.6	Very high	97.7	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.03	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	104.4	177.7	-62.9	-54.1	-62.1	0	0	109.9	P289 L290 R293 V302 S303 P356 C410 S411	P289-M408 HydrophobicContact CB-CB 4.44Å; P289-M408 HydrophobicContact CB-CE 4.44Å; L290-M408 HydrophobicContact CD2-CB 3.9Å; L290-M408 HydrophobicContact CD2-CG 3.82Å; R293-M408 HydrophobicContact CB-CE 4.37Å; R293-M408 HydrophobicContact CB-SD 4.17Å; R293-M408 HydrophobicContact CG-SD 4.05Å; V302-M408 HydrophobicContact CB-CG 4.27Å; S303-M408 PolarHBondContact O-N 3.46Å; P356-M408 HydrophobicContact CB-SD 3.61Å; M408-C410 VanDerWaalsContact C-N 3.28Å; M408-C410 PolarHBondContact O-N 2.71Å; M408-S411 WeakPolarHBondContact O-CA 3.32Å; M408-S411 WeakPolarHBondContact O-CB 3.43Å; M408-S411 PolarHBondContact O-N 2.81Å
409	P	98.2	Very high	96.6	Very high	6 Å²	6	18.8 Å²	18.8	4%	0.039	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-30.8	-175.6	-25.4	37.2	0	0	0	114.3	E353 I357 I407 S411	E353-P409 WeakPolarHBondContact OE2-CB 3.25Å; E353-P409 WeakPolarHBondContact OE2-CG 3.46Å; I357-P409 HydrophobicContact CD1-CG 3.65Å; I357-P409 HydrophobicContact CG1-CG 4.03Å; I407-P409 WeakPolarHBondContact O-CD 3.44Å; P409-S411 PolarHBondContact O-N 2.82Å
410	C	98.4	Very high	95.4	Very high	1 Å²	1	26 Å²	26	1%	0.007	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-16.9	173.9	-61.6	0	0	0	0	113.4	R169 C173 P289 E353 M408	R169-C410 WeakPolarHBondContact CD-O 3.49Å; R169-C410 PolarHBondContact NH1-O 2.85Å; C173-C410 WeakPolarHBondContact CA-SG 3.22Å; C173-C410 HydrophobicContact CB-CB 3.53Å; C173-C410 WeakPolarHBondContact CB-SG 3.08Å; C173-C410 WeakPolarHBondContact SG-CA 3.37Å; C173-C410 WeakPolarHBondContact SG-CB 3.31Å; C173-C410 CovalentContact SG-SG 2.04Å; C173-C410 PolarHBondContact SG-SG 2.76Å; P289-C410 HydrophobicContact CB-CB 4.31Å; P289-C410 HydrophobicContact CG-CB 3.95Å; E353-C410 PolarHBondContact O-SG 2.92Å; E353-C410 VanDerWaalsContact O-SG 3.34Å; M408-C410 VanDerWaalsContact C-N 3.28Å; M408-C410 PolarHBondContact O-N 2.71Å
411	S	98.8	Very high	94.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110.9	174.1	-179.5	0	0	0	0	109.4	W286 L290 P304 D305 M408 P409	W286-S411 WeakPolarHBondContact O-CB 3.19Å; W286-S411 PolarHBondContact O-OG 2.84Å; L290-S411 WeakPolarHBondContact CD1-OG 3.21Å; L290-S411 WeakPolarHBondContact CG-OG 3.38Å; P304-S411 CarbonylContact C-O 3.56Å; P304-S411 VanDerWaalsContact CA-O 3.28Å; P304-S411 WeakPolarHBondContact CA-O 3.36Å; P304-S411 WeakPolarHBondContact CB-O 3.32Å; P304-S411 WeakPolarHBondContact CB-OG 3.28Å; D305-S411 PolarHBondContact N-O 3.43Å; M408-S411 WeakPolarHBondContact O-CA 3.32Å; M408-S411 WeakPolarHBondContact O-CB 3.43Å; M408-S411 PolarHBondContact O-N 2.81Å; P409-S411 PolarHBondContact O-N 2.82Å
412	V	98.7	Very high	93.1	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.024	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.2	-179	-178.7	0	0	0	0	109.9	R169 F283 D305 A307 F316 P319	R169-V412 HydrophobicContact CG-CG2 4.41Å; F283-V412 HydrophobicContact CB-CB 3.79Å; F283-V412 HydrophobicContact CB-CG1 4.13Å; F283-V412 WeakPolarHBondContact CB-O 3.39Å; F283-V412 HydrophobicContact CD1-CB 4.49Å; F283-V412 HydrophobicContact CG-CB 4.31Å; F283-V412 HydrophobicContact CG-CG1 4.47Å; F283-V412 PolarHBondContact N-O 2.99Å; D305-V412 WeakPolarHBondContact O-CA 3.48Å; A307-V412 HydrophobicContact CB-CG1 3.87Å; F316-V412 HydrophobicContact CE1-CG1 4.43Å; F316-V412 HydrophobicContact CZ-CG1 4.25Å; P319-V412 HydrophobicContact CB-CG2 4.21Å; P319-V412 HydrophobicContact CG-CG2 4.21Å
413	V	98.9	Very high	92.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	124.4	173.3	-175.9	0	0	0	0	108.9	L276 C280 W286 P304 D305 I306 A307 L366	L276-V413 HydrophobicContact CD2-CG1 4.25Å; C280-V413 HydrophobicContact CB-CG1 3.97Å; W286-V413 HydrophobicContact CB-CG2 4.27Å; W286-V413 HydrophobicContact CD2-CG2 3.96Å; W286-V413 HydrophobicContact CE3-CG2 3.41Å; W286-V413 VanDerWaalsContact CE3-CG2 3.41Å; W286-V413 HydrophobicContact CG-CG2 4.33Å; W286-V413 HydrophobicContact CZ3-CG2 4.06Å; P304-V413 HydrophobicContact CB-CB 4.15Å; P304-V413 HydrophobicContact CB-CG2 3.76Å; P304-V413 HydrophobicContact CG-CB 4.04Å; P304-V413 HydrophobicContact CG-CG2 3.87Å; D305-V413 PolarHBondContact O-N 2.75Å; I306-V413 CarbonylContact C-O 3.59Å; I306-V413 WeakPolarHBondContact CA-O 3.46Å; A307-V413 PolarHBondContact N-O 3.17Å; L366-V413 HydrophobicContact CD2-CB 3.63Å; L366-V413 HydrophobicContact CD2-CG1 3.36Å; L366-V413 HydrophobicContact CD2-CG2 4.46Å
414	G	98.6	Very high	90.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	142.9	173.8	0	0	0	0	0	111.4	C280 E281 A307 F316	C280-G414 CarbonylContact C-O 3.51Å; C280-G414 WeakPolarHBondContact CA-O 3.45Å; C280-G414 WeakPolarHBondContact CB-O 3.5Å; E281-G414 PolarHBondContact N-O 2.89Å; E281-G414 PolarHBondContact O-N 2.59Å; A307-G414 CarbonylContact O-C 3.45Å; A307-G414 VanDerWaalsContact O-CA 3.29Å; A307-G414 WeakPolarHBondContact O-CA 3.22Å; F316-G414 VanDerWaalsContact CE2-CA 3.41Å
415	H	98.6	Very high	89.7	Confident	20 Å²	20	34.6 Å²	34.6	9%	0.093	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.3	177.5	171.6	-89.5	0	0	0	110.2	D277 H279 I306 A307 I309 F417	D277-H415 IonicContact OD2-CD2 2.69Å; D277-H415 IonicContact OD2-NE2 3.76Å; H279-H415 AromaticContact CD2-CD2 3.82Å; H279-H415 AromaticContact CD2-NE2 3.48Å; H279-H415 PolarHBondContact CD2-NE2 2.72Å; H279-H415 AromaticContact NE2-NE2 3.26Å; H279-H415 PolarHBondContact NE2-NE2 2.73Å; I306-H415 HydrophobicContact CG2-CB 3.67Å; A307-H415 PolarHBondContact O-N 2.81Å; I309-H415 PolarHBondContact N-O 3.46Å; H415-F417 HydrophobicContact CB-CE2 4.18Å; H415-F417 HydrophobicContact CB-CZ 4.37Å; H415-F417 AromaticContact CE1-CD1 3.9Å; H415-F417 AromaticContact ND1-CD1 3.47Å; H415-F417 WeakPolarHBondContact ND1-CD1 3.31Å; H415-F417 AromaticContact ND1-CD2 3.77Å; H415-F417 AromaticContact ND1-CE1 3.58Å; H415-F417 AromaticContact ND1-CE2 3.88Å; H415-F417 AromaticContact ND1-CG 3.57Å; H415-F417 AromaticContact ND1-CZ 3.8Å; H415-F417 WeakPolarHBondContact O-CD2 3.4Å; H415-F417 PolarHBondContact O-N 2.82Å; H415-F417 VanDerWaalsContact O-N 3.08Å
416	V	98.3	Very high	88.2	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	93.4	174.5	-176.4	0	0	0	0	109.8	F150 H279 I309 L311 F314 R418	F150-V416 HydrophobicContact CB-CG1 4.03Å; F150-V416 HydrophobicContact CD1-CG1 4.28Å; F150-V416 HydrophobicContact CG-CG1 4.22Å; H279-V416 HydrophobicContact CB-CB 4.25Å; H279-V416 HydrophobicContact CB-CG2 4.22Å; H279-V416 PolarHBondContact O-N 3.48Å; H279-V416 VanDerWaalsContact O-N 3.15Å; I309-V416 HydrophobicContact CB-CG2 3.91Å; I309-V416 HydrophobicContact CD1-CG2 4.36Å; I309-V416 HydrophobicContact CG2-CG2 3.84Å; L311-V416 HydrophobicContact CB-CG1 4.06Å; F314-V416 HydrophobicContact CE1-CG2 3.97Å; F314-V416 HydrophobicContact CZ-CG2 4.41Å; V416-R418 PolarHBondContact O-N 2.78Å
417	F	92.1	Very high	86.8	Confident	72 Å²	72	45.4 Å²	45.4	32%	0.316	24%	0.243	S	C	.	.			trans	-71.3	128.4	176.9	-70.4	-81	0	0	0	111.1	I306 L311 H415	I306-F417 HydrophobicContact CB-CZ 4.45Å; I306-F417 HydrophobicContact CG2-CE2 3.95Å; I306-F417 HydrophobicContact CG2-CZ 3.58Å; L311-F417 WeakPolarHBondContact CD2-O 3.42Å; H415-F417 HydrophobicContact CB-CE2 4.18Å; H415-F417 HydrophobicContact CB-CZ 4.37Å; H415-F417 AromaticContact CE1-CD1 3.9Å; H415-F417 AromaticContact ND1-CD1 3.47Å; H415-F417 WeakPolarHBondContact ND1-CD1 3.31Å; H415-F417 AromaticContact ND1-CD2 3.77Å; H415-F417 AromaticContact ND1-CE1 3.58Å; H415-F417 AromaticContact ND1-CE2 3.88Å; H415-F417 AromaticContact ND1-CG 3.57Å; H415-F417 AromaticContact ND1-CZ 3.8Å; H415-F417 WeakPolarHBondContact O-CD2 3.4Å; H415-F417 PolarHBondContact O-N 2.82Å; H415-F417 VanDerWaalsContact O-N 3.08Å
418	R	87.9	Confident	85.7	Confident	50 Å²	50	46.7 Å²	46.7	19%	0.189	26%	0.258	C	S	.	.			trans	-107.7	143.1	-179.5	-51.4	178.7	-157.9	-159.6	8.7	109.8	H148 F150 E196 H279 V416 K420 P422	H148-R418 PolarHBondContact O-NH1 2.6Å; F150-R418 VanDerWaalsContact CE1-CZ 3.45Å; E196-R418 IonicContact OE1-NH2 2.74Å; E196-R418 IonicContact OE2-NH2 2.77Å; E196-R418 PolarHBondContact OE2-NH2 2.81Å; H279-R418 PolarHBondContact CE1-NH2 3.08Å; H279-R418 VanDerWaalsContact CG-NH2 3.33Å; H279-R418 PolarHBondContact ND1-NH2 2.89Å; H279-R418 PolarHBondContact NE2-NH2 2.97Å; V416-R418 PolarHBondContact O-N 2.78Å; R418-K420 VanDerWaalsContact C-N 3.29Å; R418-K420 WeakPolarHBondContact CB-O 3.49Å; R418-P422 VanDerWaalsContact NH1-CG 3.34Å
419	S	73.9	Confident	84.6	Confident	109 Å²	109	51.1 Å²	51.1	76%	0.762	29%	0.286	S	S	*	.	S	Bend	trans	-78.2	-16.2	175.9	-46.7	0	0	0	0	113.1
420	K	74.3	Confident	83.8	Confident	162 Å²	162	55.3 Å²	55.3	70%	0.704	31%	0.305	S	S	*	.	S	Bend	trans	-141.5	148	180	-65.6	-179	-178	176.9	0	109.3	R418	R418-K420 VanDerWaalsContact C-N 3.29Å; R418-K420 WeakPolarHBondContact CB-O 3.49Å
421	S	76.2	Confident	83.3	Confident	61 Å²	61	55.5 Å²	55.5	43%	0.427	31%	0.306	S	S	.	.			trans	-70.6	130.4	172	-175.9	0	0	0	0	109.7	H423	S421-H423 PolarHBondContact O-N 2.88Å; S421-H423 PolarHBondContact OG-N 3.17Å
422	P	72.5	Confident	82.9	Confident	39 Å²	39	57.3 Å²	57.3	25%	0.253	32%	0.315	S	S	.	.			trans	-75.2	-9.2	174.8	37.1	-42.6	0	0	0	112.2	C149 R418	C149-P422 HydrophobicContact CB-CB 4.42Å; R418-P422 VanDerWaalsContact NH1-CG 3.34Å
423	H	77.1	Confident	82.6	Confident	66 Å²	66	57.5 Å²	57.5	31%	0.306	32%	0.317	S	S	.	.	S	Bend	trans	-95.6	140.6	-166.7	-61.1	-45.3	0	0	0	112	H194 S421	H194-H423 AromaticContact CD2-ND1 3.56Å; H194-H423 PolarHBondContact O-CE1 3.42Å; H194-H423 VanDerWaalsContact O-CE1 3.31Å; S421-H423 PolarHBondContact O-N 2.88Å; S421-H423 PolarHBondContact OG-N 3.17Å
424	S	71.9	Confident	82.5	Confident	79 Å²	79	59.1 Å²	59.1	55%	0.552	32%	0.323	S	S	*	.			trans	-70.9	146.9	167.5	63.1	0	0	0	0	110.4	R254 P426	R254-S424 PolarHBondContact NH1-O 3.01Å; R254-S424 PolarHBondContact NH2-O 3.26Å; S424-P426 WeakPolarHBondContact O-CD 3.46Å
425	F	74.9	Confident	82.4	Confident	42 Å²	42	59.1 Å²	59.1	18%	0.184	32%	0.323	C	S	.	.			trans	-109.2	98.1	171.4	-71	-97	0	0	0	107.6	I386 W387 K427 G428 I432	I386-F425 HydrophobicContact CG2-CD1 3.97Å; I386-F425 HydrophobicContact CG2-CE1 3.95Å; W387-F425 HydrophobicContact CE3-CZ 4.5Å; F425-K427 PolarHBondContact O-N 3.01Å; F425-G428 WeakPolarHBondContact CB-O 3.47Å; F425-G428 WeakPolarHBondContact O-CA 3.42Å; F425-G428 PolarHBondContact O-N 3.08Å; F425-I432 HydrophobicContact CE1-CD1 4.01Å; F425-I432 HydrophobicContact CE1-CG1 4.11Å; F425-I432 HydrophobicContact CZ-CD1 4.16Å
426	P	66.6	Low	82.3	Confident	90 Å²	90	59 Å²	59	58%	0.584	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-30.4	-172.9	-29	33.3	0	0	0	113.9	S424	S424-P426 WeakPolarHBondContact O-CD 3.46Å
427	K	69	Low	82.3	Confident	139 Å²	139	58.9 Å²	58.9	60%	0.604	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	14.6	177.2	-59.6	-179.5	-178	175.8	0	113	E385 F425 V431	E385-K427 IonicContact OE1-NZ 2.66Å; E385-K427 PolarHBondContact OE1-NZ 3.19Å; F425-K427 PolarHBondContact O-N 3.01Å; K427-V431 HydrophobicContact CB-CG2 3.77Å
428	G	76.5	Confident	82.6	Confident	32 Å²	32	55.5 Å²	55.5	33%	0.33	31%	0.307	S	S	.	.			trans	77	177.2	-175.6	0	0	0	0	0	114.3	F425 Q430 V431	F425-G428 WeakPolarHBondContact CB-O 3.47Å; F425-G428 WeakPolarHBondContact O-CA 3.42Å; F425-G428 PolarHBondContact O-N 3.08Å; G428-Q430 PolarHBondContact O-N 3.34Å; G428-V431 WeakPolarHBondContact O-CG2 3.44Å; G428-V431 PolarHBondContact O-N 3.48Å
429	T	76.1	Confident	83.1	Confident	100 Å²	100	53.2 Å²	53.2	61%	0.613	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.3	-179.5	50.2	0	0	0	0	113.5	V431 I432	T429-V431 PolarHBondContact O-N 3.48Å; T429-V431 VanDerWaalsContact O-N 3.08Å; T429-I432 PolarHBondContact O-N 3.4Å
430	Q	80.3	Confident	84.3	Confident	93 Å²	93	48 Å²	48	44%	0.435	26%	0.262	S	S	.	.	H	α-helix	trans	-55.1	-26.2	173.7	-165.5	-165.3	23.6	0	0	112.4	G428 I432 A433 R434 I461	G428-Q430 PolarHBondContact O-N 3.34Å; Q430-I432 VanDerWaalsContact C-N 3.25Å; Q430-I432 PolarHBondContact O-N 3.48Å; Q430-A433 PolarHBondContact O-N 3.26Å; Q430-R434 PolarHBondContact O-N 3.04Å; Q430-I461 HydrophobicContact CG-CD1 4.04Å
431	V	89.3	Confident	85.4	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.03	24%	0.236	C	C	.	.	H	α-helix	trans	-54.9	-41.1	174.8	172	0	0	0	0	111.9	E385 I386 K427 G428 T429 R434 N435	E385-V431 HydrophobicContact CB-CG1 3.66Å; E385-V431 WeakPolarHBondContact O-CG1 3.47Å; I386-V431 HydrophobicContact CB-CG1 4.21Å; I386-V431 HydrophobicContact CG1-CG1 4.34Å; K427-V431 HydrophobicContact CB-CG2 3.77Å; G428-V431 WeakPolarHBondContact O-CG2 3.44Å; G428-V431 PolarHBondContact O-N 3.48Å; T429-V431 PolarHBondContact O-N 3.48Å; T429-V431 VanDerWaalsContact O-N 3.08Å; V431-R434 WeakPolarHBondContact O-CB 3.49Å; V431-R434 PolarHBondContact O-N 3.29Å; V431-N435 VanDerWaalsContact O-CG 3.26Å; V431-N435 PolarHBondContact O-N 2.99Å; V431-N435 PolarHBondContact O-OD1 3.49Å
432	I	90.3	Very high	86.5	Confident	39 Å²	39	39 Å²	39	20%	0.2	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-47.3	179.7	-59.2	170.6	0	0	0	109.8	W387 F425 T429 Q430 R434 N435 Q436	W387-I432 HydrophobicContact CE3-CD1 4.26Å; W387-I432 HydrophobicContact CZ3-CD1 4.19Å; F425-I432 HydrophobicContact CE1-CD1 4.01Å; F425-I432 HydrophobicContact CE1-CG1 4.11Å; F425-I432 HydrophobicContact CZ-CD1 4.16Å; T429-I432 PolarHBondContact O-N 3.4Å; Q430-I432 VanDerWaalsContact C-N 3.25Å; Q430-I432 PolarHBondContact O-N 3.48Å; I432-R434 VanDerWaalsContact C-N 3.29Å; I432-R434 PolarHBondContact O-N 2.99Å; I432-N435 PolarHBondContact O-N 2.73Å; I432-Q436 HydrophobicContact CG2-CG 4.49Å; I432-Q436 WeakPolarHBondContact O-CG 3.3Å; I432-Q436 PolarHBondContact O-N 3.08Å
433	A	91.5	Very high	87.8	Confident	7 Å²	7	37.1 Å²	37.1	6%	0.058	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-38.6	177.1	0	0	0	0	0	111.6	Q430 Q436 V437 D457 I461	Q430-A433 PolarHBondContact O-N 3.26Å; A433-Q436 PolarHBondContact O-N 2.85Å; A433-V437 VanDerWaalsContact O-CG2 3.32Å; A433-V437 WeakPolarHBondContact O-CG2 3.46Å; A433-V437 PolarHBondContact O-N 3.37Å; A433-D457 HydrophobicContact CB-CB 4.28Å; A433-I461 HydrophobicContact CB-CD1 3.97Å
434	R	95.8	Very high	88.8	Confident	35 Å²	35	34 Å²	34	13%	0.132	19%	0.189	C	C	.	.	H	α-helix	trans	-60.7	-49.2	174.3	-177.3	-178.7	164.1	-87.5	-12.2	111.2	E383 E385 Q430 V431 I432 Q436 V437 R438 I461 F467	E383-R434 PolarHBondContact O-NH1 3.3Å; E383-R434 PolarHBondContact O-NH2 2.88Å; E383-R434 VanDerWaalsContact O-NH2 3.12Å; E385-R434 IonicContact OE2-CZ 3.56Å; E385-R434 IonicContact OE2-NE 3.88Å; E385-R434 IonicContact OE2-NH1 3.24Å; E385-R434 PolarHBondContact OE2-NH1 2.91Å; Q430-R434 PolarHBondContact O-N 3.04Å; V431-R434 WeakPolarHBondContact O-CB 3.49Å; V431-R434 PolarHBondContact O-N 3.29Å; I432-R434 VanDerWaalsContact C-N 3.29Å; I432-R434 PolarHBondContact O-N 2.99Å; R434-Q436 VanDerWaalsContact C-N 3.32Å; R434-Q436 PolarHBondContact O-N 2.99Å; R434-V437 PolarHBondContact O-N 3.29Å; R434-R438 WeakPolarHBondContact O-CG 3.39Å; R434-R438 PolarHBondContact O-N 3.26Å; R434-I461 HydrophobicContact CB-CD1 4.25Å; R434-F467 PolarHBondContact NH2-O 3.35Å
435	N	97.1	Very high	90.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-41.9	177.7	-64.1	-11.8	0	0	0	111.4	M384 E385 G388 V431 I432 R438 L439	M384-N435 VanDerWaalsContact CA-OD1 3.31Å; M384-N435 WeakPolarHBondContact CA-OD1 3.32Å; M384-N435 HydrophobicContact CB-CB 4.42Å; M384-N435 HydrophobicContact CE-CB 4.46Å; M384-N435 WeakPolarHBondContact CE-O 3.19Å; M384-N435 HydrophobicContact CG-CB 4.03Å; M384-N435 HydrophobicContact SD-CB 4.24Å; E385-N435 PolarHBondContact N-OD1 2.93Å; E385-N435 PolarHBondContact O-ND2 3.06Å; G388-N435 WeakPolarHBondContact O-CB 3.28Å; G388-N435 PolarHBondContact O-ND2 2.77Å; V431-N435 VanDerWaalsContact O-CG 3.26Å; V431-N435 PolarHBondContact O-N 2.99Å; V431-N435 PolarHBondContact O-OD1 3.49Å; I432-N435 PolarHBondContact O-N 2.73Å; N435-R438 WeakPolarHBondContact O-CB 3.33Å; N435-R438 PolarHBondContact O-N 2.98Å; N435-L439 PolarHBondContact O-N 3.1Å; N435-L439 VanDerWaalsContact O-N 3.1Å
436	Q	97.2	Very high	91.1	Very high	16 Å²	16	34.5 Å²	34.5	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-64.9	-37.3	175.6	-71.7	174.8	-35.3	0	0	112.8	S334 L335 I432 A433 R434 R438 L439 A440 F451	S334-Q436 PolarHBondContact O-NE2 2.9Å; S334-Q436 VanDerWaalsContact O-NE2 3.15Å; L335-Q436 HydrophobicContact CB-CG 4.15Å; L335-Q436 HydrophobicContact CD1-CB 4.11Å; L335-Q436 PolarHBondContact O-NE2 2.82Å; I432-Q436 HydrophobicContact CG2-CG 4.49Å; I432-Q436 WeakPolarHBondContact O-CG 3.3Å; I432-Q436 PolarHBondContact O-N 3.08Å; A433-Q436 PolarHBondContact O-N 2.85Å; R434-Q436 VanDerWaalsContact C-N 3.32Å; R434-Q436 PolarHBondContact O-N 2.99Å; Q436-R438 VanDerWaalsContact C-N 3.34Å; Q436-L439 WeakPolarHBondContact O-CG 3.47Å; Q436-L439 PolarHBondContact O-N 2.95Å; Q436-A440 VanDerWaalsContact O-CB 3.25Å; Q436-A440 WeakPolarHBondContact O-CB 3.47Å; Q436-A440 PolarHBondContact O-N 2.88Å; Q436-F451 HydrophobicContact CB-CE1 4.13Å; Q436-F451 HydrophobicContact CB-CE2 4.4Å; Q436-F451 HydrophobicContact CB-CZ 3.63Å
437	V	98.3	Very high	92.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.2	-42.4	172.2	171.3	0	0	0	0	110.7	A433 R434 L439 A440 E441 F451 Y452 A458 I461 V462 F467	A433-V437 VanDerWaalsContact O-CG2 3.32Å; A433-V437 WeakPolarHBondContact O-CG2 3.46Å; A433-V437 PolarHBondContact O-N 3.37Å; R434-V437 PolarHBondContact O-N 3.29Å; V437-L439 PolarHBondContact O-N 3.37Å; V437-A440 PolarHBondContact O-N 3.19Å; V437-E441 HydrophobicContact CG1-CG 4.18Å; V437-E441 WeakPolarHBondContact O-CB 3.35Å; V437-E441 WeakPolarHBondContact O-CG 3.39Å; V437-E441 PolarHBondContact O-N 2.96Å; V437-F451 HydrophobicContact CG2-CE1 4.21Å; V437-Y452 HydrophobicContact CG1-CE1 4.46Å; V437-Y452 HydrophobicContact CG2-CE1 4.11Å; V437-A458 HydrophobicContact CG2-CB 3.61Å; V437-I461 HydrophobicContact CB-CG2 4.23Å; V437-I461 HydrophobicContact CG1-CG2 4.16Å; V437-I461 HydrophobicContact CG2-CB 4.25Å; V437-I461 HydrophobicContact CG2-CG2 4.09Å; V437-V462 HydrophobicContact CG1-CG2 3.55Å; V437-V462 HydrophobicContact CG2-CG2 4.13Å; V437-F467 HydrophobicContact CB-CB 4.23Å; V437-F467 HydrophobicContact CG1-CB 3.64Å; V437-F467 HydrophobicContact CG1-CD1 3.57Å; V437-F467 HydrophobicContact CG1-CE1 4.37Å; V437-F467 HydrophobicContact CG1-CG 3.69Å
438	R	98.5	Very high	93.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-58.7	-46.7	178.2	-67.1	-179.8	63.9	74	5	112	D381 E383 M384 R434 N435 Q436 V442 F467 D469 L470	D381-R438 VanDerWaalsContact CG-NH2 3.31Å; D381-R438 IonicContact OD1-CZ 3.56Å; D381-R438 IonicContact OD1-NE 2.71Å; D381-R438 IonicContact OD1-NH2 3.65Å; D381-R438 PolarHBondContact OD1-NH2 2.87Å; D381-R438 IonicContact OD2-CZ 3.72Å; D381-R438 VanDerWaalsContact OD2-CZ 3.24Å; D381-R438 IonicContact OD2-NE 3.78Å; D381-R438 PolarHBondContact OD2-NE 3.33Å; D381-R438 IonicContact OD2-NH2 2.84Å; D381-R438 PolarHBondContact OD2-NH2 3.36Å; E383-R438 VanDerWaalsContact CB-NH2 3.31Å; M384-R438 HydrophobicContact CE-CB 4.47Å; R434-R438 WeakPolarHBondContact O-CG 3.39Å; R434-R438 PolarHBondContact O-N 3.26Å; N435-R438 WeakPolarHBondContact O-CB 3.33Å; N435-R438 PolarHBondContact O-N 2.98Å; Q436-R438 VanDerWaalsContact C-N 3.34Å; R438-V442 WeakPolarHBondContact O-CG2 3.33Å; R438-V442 PolarHBondContact O-N 3.29Å; R438-F467 WeakPolarHBondContact CD-O 3.34Å; R438-F467 HydrophobicContact CG-CB 4.1Å; R438-F467 WeakPolarHBondContact CG-O 3.36Å; R438-F467 PolarHBondContact NH1-O 3.1Å; R438-D469 PolarHBondContact NH1-O 3.25Å; R438-D469 PolarHBondContact NH2-O 3.47Å; R438-L470 HydrophobicContact CB-CD2 3.91Å; R438-L470 HydrophobicContact CG-CD2 4.04Å; R438-L470 VanDerWaalsContact CZ-CD2 3.49Å
439	L	98.4	Very high	94.8	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-68.4	-38.3	177.9	81.5	86.5	0	0	0	112.1	L335 M384 G389 I392 E393 F396 N435 Q436 V437 V442 W443 M444	L335-L439 HydrophobicContact CD1-CD1 4Å; L335-L439 HydrophobicContact CD1-CG 4.46Å; L335-L439 HydrophobicContact CD2-CD1 4.48Å; M384-L439 HydrophobicContact CE-CB 3.99Å; G389-L439 WeakPolarHBondContact O-CD2 2.89Å; I392-L439 HydrophobicContact CB-CD2 4.13Å; I392-L439 HydrophobicContact CG2-CD1 4.08Å; I392-L439 HydrophobicContact CG2-CD2 4.31Å; E393-L439 HydrophobicContact CB-CB 3.64Å; E393-L439 HydrophobicContact CB-CD2 4.22Å; E393-L439 HydrophobicContact CB-CG 4.49Å; E393-L439 HydrophobicContact CG-CB 3.71Å; F396-L439 HydrophobicContact CD2-CD1 3.95Å; F396-L439 HydrophobicContact CE2-CD1 3.8Å; N435-L439 PolarHBondContact O-N 3.1Å; N435-L439 VanDerWaalsContact O-N 3.1Å; Q436-L439 WeakPolarHBondContact O-CG 3.47Å; Q436-L439 PolarHBondContact O-N 2.95Å; V437-L439 PolarHBondContact O-N 3.37Å; L439-V442 PolarHBondContact O-N 3.18Å; L439-W443 WeakPolarHBondContact O-CB 3.46Å; L439-W443 PolarHBondContact O-N 3.43Å; L439-M444 HydrophobicContact CD1-SD 4.31Å
440	A	98.6	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65	-44.5	-179.4	0	0	0	0	0	111.5	L335 Q436 V437 V442 M444 K448 F451 Y452	L335-A440 HydrophobicContact CD1-CB 4.17Å; Q436-A440 VanDerWaalsContact O-CB 3.25Å; Q436-A440 WeakPolarHBondContact O-CB 3.47Å; Q436-A440 PolarHBondContact O-N 2.88Å; V437-A440 PolarHBondContact O-N 3.19Å; A440-V442 VanDerWaalsContact C-N 3.29Å; A440-V442 PolarHBondContact O-N 2.9Å; A440-M444 HydrophobicContact CB-CG 4.46Å; A440-M444 HydrophobicContact CB-SD 3.67Å; A440-M444 WeakPolarHBondContact O-CB 3.46Å; A440-M444 PolarHBondContact O-N 2.73Å; A440-M444 VanDerWaalsContact O-N 3.14Å; A440-K448 HydrophobicContact CB-CB 3.95Å; A440-F451 HydrophobicContact CB-CD1 4.02Å; A440-F451 HydrophobicContact CB-CE1 4.41Å; A440-Y452 HydrophobicContact CB-CE1 4.22Å
441	E	98.6	Very high	95.9	Very high	32 Å²	32	20.5 Å²	20.5	15%	0.15	10%	0.096	C	C	.	.	H	α-helix	trans	-59.4	-37.5	176.6	-79.4	-57.2	134.8	0	0	113	V437 K448 Y452 F467 L470 F474	V437-E441 HydrophobicContact CG1-CG 4.18Å; V437-E441 WeakPolarHBondContact O-CB 3.35Å; V437-E441 WeakPolarHBondContact O-CG 3.39Å; V437-E441 PolarHBondContact O-N 2.96Å; E441-K448 VanDerWaalsContact CD-NZ 3.28Å; E441-K448 IonicContact OE1-NZ 3.23Å; E441-K448 PolarHBondContact OE1-NZ 3.38Å; E441-K448 IonicContact OE2-NZ 2.7Å; E441-K448 PolarHBondContact OE2-NZ 3.05Å; E441-Y452 VanDerWaalsContact CD-OH 3.3Å; E441-Y452 WeakPolarHBondContact CG-OH 3.47Å; E441-Y452 PolarHBondContact OE1-OH 3.46Å; E441-F467 HydrophobicContact CG-CE1 4.5Å; E441-F467 HydrophobicContact CG-CE2 4.22Å; E441-F467 HydrophobicContact CG-CZ 4.17Å; E441-L470 HydrophobicContact CB-CD1 3.33Å; E441-L470 HydrophobicContact CG-CD1 3.97Å; E441-F474 WeakPolarHBondContact O-CZ 3.39Å
442	V	98.8	Very high	96	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-85	-42.4	-176.8	-178.2	0	0	0	0	111.9	R438 L439 A440 L470 R473 F474 K477	R438-V442 WeakPolarHBondContact O-CG2 3.33Å; R438-V442 PolarHBondContact O-N 3.29Å; L439-V442 PolarHBondContact O-N 3.18Å; A440-V442 VanDerWaalsContact C-N 3.29Å; A440-V442 PolarHBondContact O-N 2.9Å; V442-L470 HydrophobicContact CG2-CB 4.23Å; V442-L470 HydrophobicContact CG2-CD1 4.07Å; V442-L470 HydrophobicContact CG2-CD2 3.98Å; V442-L470 HydrophobicContact CG2-CG 4.33Å; V442-R473 HydrophobicContact CG1-CB 4.04Å; V442-R473 HydrophobicContact CG2-CB 3.76Å; V442-F474 HydrophobicContact CG1-CD1 4.49Å; V442-F474 HydrophobicContact CG2-CE1 4.45Å; V442-F474 HydrophobicContact CG2-CE2 4.47Å; V442-F474 HydrophobicContact CG2-CZ 4.29Å; V442-K477 HydrophobicContact CG1-CD 4.33Å; V442-K477 VanDerWaalsContact O-CD 3.24Å; V442-K477 WeakPolarHBondContact O-CD 3.29Å; V442-K477 WeakPolarHBondContact O-CE 3.44Å; V442-K477 PolarHBondContact O-NZ 3.41Å
443	W	98.8	Very high	95.7	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-109.8	-24.6	-162.7	-62.5	107.8	0	0	0	115.2	E393 F396 R397 Q400 C401 L439 K477 C482 F485	E393-W443 PolarHBondContact OE1-NE1 2.87Å; F396-W443 HydrophobicContact CB-CB 3.97Å; F396-W443 HydrophobicContact CB-CG 4.24Å; F396-W443 HydrophobicContact CD2-CB 4.06Å; R397-W443 HydrophobicContact CB-CD2 4.21Å; R397-W443 HydrophobicContact CB-CE3 4.37Å; R397-W443 HydrophobicContact CB-CH2 3.83Å; R397-W443 HydrophobicContact CB-CZ2 3.64Å; R397-W443 HydrophobicContact CB-CZ3 4.17Å; R397-W443 VanDerWaalsContact CD-CZ2 3.47Å; R397-W443 HydrophobicContact CG-CH2 3.58Å; R397-W443 HydrophobicContact CG-CZ2 3.58Å; R397-W443 HydrophobicContact CG-CZ3 4.28Å; Q400-W443 HydrophobicContact CB-CE3 4.37Å; Q400-W443 HydrophobicContact CB-CZ3 4.37Å; Q400-W443 PolarHBondContact NE2-O 2.84Å; Q400-W443 VanDerWaalsContact NE2-O 3.15Å; Q400-W443 PolarHBondContact OE1-O 2.84Å; C401-W443 VanDerWaalsContact SG-CH2 3.58Å; C401-W443 VanDerWaalsContact SG-CZ3 3.56Å; L439-W443 WeakPolarHBondContact O-CB 3.46Å; L439-W443 PolarHBondContact O-N 3.43Å; W443-K477 HydrophobicContact CE3-CD 4.37Å; W443-K477 HydrophobicContact CH2-CB 3.96Å; W443-K477 HydrophobicContact CH2-CG 4.18Å; W443-K477 HydrophobicContact CZ3-CB 4.23Å; W443-K477 HydrophobicContact CZ3-CD 4.23Å; W443-K477 HydrophobicContact CZ3-CG 3.91Å; W443-C482 HydrophobicContact CZ3-CB 4.06Å; W443-F485 WeakPolarHBondContact O-CB 3.47Å; W443-F485 VanDerWaalsContact O-CD2 3.31Å; W443-F485 WeakPolarHBondContact O-CD2 3.42Å
444	M	98.6	Very high	95.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.1	C	C	.	.			trans	-94.2	-2.5	-169.4	-65.4	178.3	69.2	0	0	115.2	W333 L335 F396 L439 A440 E446 Y447 K448 F451 F485	W333-M444 HydrophobicContact CE3-CE 4.3Å; W333-M444 HydrophobicContact CZ3-CE 3.97Å; L335-M444 HydrophobicContact CD1-SD 3.85Å; L335-M444 HydrophobicContact CD2-CE 3.91Å; L335-M444 HydrophobicContact CD2-SD 3.63Å; L335-M444 HydrophobicContact CG-SD 4.3Å; F396-M444 HydrophobicContact CD2-CG 4.27Å; F396-M444 HydrophobicContact CE2-CG 3.87Å; F396-M444 HydrophobicContact CE2-SD 4.21Å; L439-M444 HydrophobicContact CD1-SD 4.31Å; A440-M444 HydrophobicContact CB-CG 4.46Å; A440-M444 HydrophobicContact CB-SD 3.67Å; A440-M444 WeakPolarHBondContact O-CB 3.46Å; A440-M444 PolarHBondContact O-N 2.73Å; A440-M444 VanDerWaalsContact O-N 3.14Å; M444-E446 PolarHBondContact O-N 2.94Å; M444-Y447 WeakPolarHBondContact O-CB 3.4Å; M444-Y447 WeakPolarHBondContact O-CD2 3.37Å; M444-Y447 PolarHBondContact O-N 3.33Å; M444-K448 HydrophobicContact CB-CB 4.1Å; M444-F451 HydrophobicContact CE-CB 4.48Å; M444-F485 HydrophobicContact CB-CD1 4.39Å; M444-F485 HydrophobicContact CB-CG 4.38Å; M444-F485 HydrophobicContact CE-CE1 4.28Å; M444-F485 HydrophobicContact CE-CZ 4.41Å; M444-F485 HydrophobicContact CG-CD2 4.3Å; M444-F485 HydrophobicContact CG-CE1 4.28Å; M444-F485 HydrophobicContact CG-CE2 4.02Å; M444-F485 HydrophobicContact CG-CZ 4Å
445	D	98.4	Very high	94.5	Very high	40 Å²	40	22.5 Å²	22.5	21%	0.214	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	48.5	-126.2	-180	-54.1	-42.4	0	0	0	111.5	Y447 K448 K477 N484 F485	D445-Y447 VanDerWaalsContact C-N 3.3Å; D445-Y447 PolarHBondContact O-N 2.91Å; D445-K448 VanDerWaalsContact O-CD 3.26Å; D445-K448 WeakPolarHBondContact O-CD 3.27Å; D445-K448 WeakPolarHBondContact O-CE 3.34Å; D445-K448 WeakPolarHBondContact O-CG 3.32Å; D445-K477 IonicContact OD1-NZ 2.73Å; D445-K477 PolarHBondContact OD1-NZ 2.98Å; D445-N484 VanDerWaalsContact OD2-CA 3.26Å; D445-N484 WeakPolarHBondContact OD2-CA 3.41Å; D445-N484 WeakPolarHBondContact OD2-CB 3.22Å; D445-F485 HydrophobicContact CB-CB 4.43Å; D445-F485 PolarHBondContact OD2-N 2.81Å
446	E	97.6	Very high	93.8	Very high	91 Å²	91	26.8 Å²	26.8	43%	0.425	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-70.7	-19.4	178.1	64.2	-89.3	-150.9	0	0	114.5	M444 K448 E449 L501	M444-E446 PolarHBondContact O-N 2.94Å; E446-K448 PolarHBondContact O-N 3.02Å; E446-E449 PolarHBondContact O-N 3.42Å; E446-L501 HydrophobicContact CB-CD2 4.38Å; E446-L501 HydrophobicContact CG-CD1 3.65Å; E446-L501 HydrophobicContact CG-CD2 3.95Å; E446-L501 HydrophobicContact CG-CG 4.48Å; E446-L501 WeakPolarHBondContact O-CD2 3.37Å
447	Y	97	Very high	93.2	Very high	26 Å²	26	30 Å²	30	10%	0.102	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-75.1	-12.4	-176	-58.3	-93.1	0	0	0	113.2	W333 M444 D445 E449 I450 F485 T486 L489 V498 L501	W333-Y447 HydrophobicContact CH2-CD1 4.27Å; M444-Y447 WeakPolarHBondContact O-CB 3.4Å; M444-Y447 WeakPolarHBondContact O-CD2 3.37Å; M444-Y447 PolarHBondContact O-N 3.33Å; D445-Y447 VanDerWaalsContact C-N 3.3Å; D445-Y447 PolarHBondContact O-N 2.91Å; Y447-E449 PolarHBondContact O-N 2.91Å; Y447-I450 HydrophobicContact CD1-CD1 4.06Å; Y447-I450 VanDerWaalsContact O-CB 3.31Å; Y447-I450 WeakPolarHBondContact O-CB 3.1Å; Y447-I450 PolarHBondContact O-N 3.38Å; Y447-I450 VanDerWaalsContact O-N 3.09Å; Y447-F485 HydrophobicContact CD2-CB 4.01Å; Y447-F485 AromaticContact CD2-CD1 3.57Å; Y447-F485 HydrophobicContact CD2-CD1 3.57Å; Y447-F485 HydrophobicContact CD2-CG 4.28Å; Y447-F485 HydrophobicContact CE2-CB 4.39Å; Y447-F485 HydrophobicContact CE2-CD1 4.3Å; Y447-F485 AromaticContact CG-CD1 3.74Å; Y447-F485 HydrophobicContact CG-CD1 3.74Å; Y447-F485 HydrophobicContact CG-CE1 4.34Å; Y447-T486 WeakPolarHBondContact CE2-OG1 3.44Å; Y447-T486 PolarHBondContact OH-OG1 2.82Å; Y447-L489 HydrophobicContact CD1-CD1 3.7Å; Y447-L489 HydrophobicContact CD2-CD1 4.29Å; Y447-L489 HydrophobicContact CE1-CD1 3.48Å; Y447-L489 VanDerWaalsContact CE1-CD1 3.48Å; Y447-L489 HydrophobicContact CE2-CD1 4.08Å; Y447-L489 HydrophobicContact CG-CD1 4.1Å; Y447-V498 HydrophobicContact CD1-CG1 3.85Å; Y447-V498 HydrophobicContact CE1-CG1 3.72Å; Y447-L501 HydrophobicContact CD1-CD2 3.72Å; Y447-L501 HydrophobicContact CD1-CG 4.43Å; Y447-L501 HydrophobicContact CE1-CD1 4.49Å; Y447-L501 HydrophobicContact CE1-CD2 4.19Å; Y447-L501 HydrophobicContact CE1-CG 4.46Å; Y447-L501 HydrophobicContact CG-CD2 4.05Å
448	K	97.1	Very high	92.8	Very high	41 Å²	41	30 Å²	30	18%	0.178	15%	0.146	C	C	.	.	H	α-helix	trans	-58.5	-27.3	172.7	67.9	-168.6	178.1	174.3	0	113.1	A440 E441 M444 D445 E446 I450 F451 Y452	A440-K448 HydrophobicContact CB-CB 3.95Å; E441-K448 VanDerWaalsContact CD-NZ 3.28Å; E441-K448 IonicContact OE1-NZ 3.23Å; E441-K448 PolarHBondContact OE1-NZ 3.38Å; E441-K448 IonicContact OE2-NZ 2.7Å; E441-K448 PolarHBondContact OE2-NZ 3.05Å; M444-K448 HydrophobicContact CB-CB 4.1Å; D445-K448 VanDerWaalsContact O-CD 3.26Å; D445-K448 WeakPolarHBondContact O-CD 3.27Å; D445-K448 WeakPolarHBondContact O-CE 3.34Å; D445-K448 WeakPolarHBondContact O-CG 3.32Å; E446-K448 PolarHBondContact O-N 3.02Å; K448-I450 PolarHBondContact O-N 3.47Å; K448-F451 WeakPolarHBondContact O-CB 3.45Å; K448-F451 PolarHBondContact O-N 2.76Å; K448-F451 VanDerWaalsContact O-N 3.09Å; K448-Y452 HydrophobicContact CB-CE2 3.9Å; K448-Y452 HydrophobicContact CD-CE2 3.88Å; K448-Y452 HydrophobicContact CG-CD2 4.27Å; K448-Y452 HydrophobicContact CG-CE2 3.62Å; K448-Y452 WeakPolarHBondContact O-CD2 3.41Å; K448-Y452 VanDerWaalsContact O-CG 3.31Å; K448-Y452 PolarHBondContact O-N 3.42Å
449	E	93.8	Very high	92.4	Very high	94 Å²	94	31.7 Å²	31.7	44%	0.439	16%	0.161	S	C	.	.	H	α-helix	trans	-63.8	-30.3	177.1	-61.7	-55.1	144.5	0	0	112.4	E446 Y447 F451 Y452 R453	E446-E449 PolarHBondContact O-N 3.42Å; Y447-E449 PolarHBondContact O-N 2.91Å; E449-F451 VanDerWaalsContact C-N 3.32Å; E449-F451 PolarHBondContact O-N 3.38Å; E449-Y452 PolarHBondContact O-N 3.19Å; E449-R453 WeakPolarHBondContact O-CB 3.49Å; E449-R453 PolarHBondContact O-N 3.48Å
450	I	90.1	Very high	92	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-42.3	174.8	-59.8	177.1	0	0	0	110	W333 Y447 K448 R454 V498 P499 L501	W333-I450 HydrophobicContact CB-CG2 3.96Å; W333-I450 HydrophobicContact CD2-CG2 3.67Å; W333-I450 HydrophobicContact CE3-CB 3.87Å; W333-I450 HydrophobicContact CE3-CD1 4.18Å; W333-I450 HydrophobicContact CE3-CG2 3.5Å; W333-I450 VanDerWaalsContact CE3-CG2 3.5Å; W333-I450 HydrophobicContact CG-CG2 3.87Å; W333-I450 HydrophobicContact CH2-CD1 4.07Å; W333-I450 HydrophobicContact CZ3-CB 4.23Å; W333-I450 HydrophobicContact CZ3-CD1 3.86Å; W333-I450 HydrophobicContact CZ3-CG2 4.23Å; Y447-I450 HydrophobicContact CD1-CD1 4.06Å; Y447-I450 VanDerWaalsContact O-CB 3.31Å; Y447-I450 WeakPolarHBondContact O-CB 3.1Å; Y447-I450 PolarHBondContact O-N 3.38Å; Y447-I450 VanDerWaalsContact O-N 3.09Å; K448-I450 PolarHBondContact O-N 3.47Å; I450-R454 WeakPolarHBondContact O-CD 3.48Å; I450-R454 PolarHBondContact O-NH1 3.14Å; I450-V498 HydrophobicContact CD1-CG1 4.15Å; I450-P499 HydrophobicContact CD1-CB 4.32Å; I450-P499 VanDerWaalsContact CD1-O 3.3Å; I450-P499 WeakPolarHBondContact CD1-O 3.45Å; I450-P499 HydrophobicContact CG2-CB 3.9Å; I450-P499 HydrophobicContact CG2-CG 3.67Å; I450-L501 HydrophobicContact CD1-CD2 4.02Å; I450-L501 HydrophobicContact CG1-CD2 4.18Å
451	F	90.9	Very high	91.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.8	-48.1	176.9	164.2	-117.4	0	0	0	111.6	W333 L335 Q436 V437 A440 M444 K448 E449 R453 R454 N455 A458	W333-F451 WeakPolarHBondContact O-CA 3.45Å; L335-F451 HydrophobicContact CB-CD2 4.36Å; L335-F451 HydrophobicContact CB-CE2 4.29Å; L335-F451 HydrophobicContact CD1-CB 4.3Å; L335-F451 HydrophobicContact CD1-CD1 3.65Å; L335-F451 HydrophobicContact CD1-CD2 3.76Å; L335-F451 HydrophobicContact CD1-CE1 3.81Å; L335-F451 HydrophobicContact CD1-CE2 3.91Å; L335-F451 HydrophobicContact CD1-CG 3.63Å; L335-F451 HydrophobicContact CD1-CZ 3.95Å; L335-F451 HydrophobicContact CG-CB 4.41Å; L335-F451 HydrophobicContact CG-CD1 4.48Å; L335-F451 HydrophobicContact CG-CD2 3.75Å; L335-F451 HydrophobicContact CG-CE2 4.1Å; L335-F451 HydrophobicContact CG-CG 3.97Å; Q436-F451 HydrophobicContact CB-CE1 4.13Å; Q436-F451 HydrophobicContact CB-CE2 4.4Å; Q436-F451 HydrophobicContact CB-CZ 3.63Å; V437-F451 HydrophobicContact CG2-CE1 4.21Å; A440-F451 HydrophobicContact CB-CD1 4.02Å; A440-F451 HydrophobicContact CB-CE1 4.41Å; M444-F451 HydrophobicContact CE-CB 4.48Å; K448-F451 WeakPolarHBondContact O-CB 3.45Å; K448-F451 PolarHBondContact O-N 2.76Å; K448-F451 VanDerWaalsContact O-N 3.09Å; E449-F451 VanDerWaalsContact C-N 3.32Å; E449-F451 PolarHBondContact O-N 3.38Å; F451-R453 VanDerWaalsContact C-N 3.25Å; F451-R453 PolarHBondContact O-N 3.2Å; F451-R454 PolarHBondContact O-N 2.81Å; F451-N455 HydrophobicContact CD2-CB 4.23Å; F451-N455 HydrophobicContact CE2-CB 3.75Å; F451-N455 HydrophobicContact CZ-CB 4.23Å; F451-N455 PolarHBondContact O-N 2.82Å; F451-A458 HydrophobicContact CD1-CB 4.32Å; F451-A458 HydrophobicContact CE1-CB 3.45Å; F451-A458 VanDerWaalsContact CE1-CB 3.45Å; F451-A458 HydrophobicContact CE2-CB 4.29Å; F451-A458 HydrophobicContact CZ-CB 3.43Å; F451-A458 VanDerWaalsContact CZ-CB 3.43Å
452	Y	90.4	Very high	91.7	Very high	12 Å²	12	37.2 Å²	37.2	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-35.4	-179.8	-60.2	-24.3	0	0	0	112.7	V437 A440 E441 K448 E449 R454 N455 A458 V462	V437-Y452 HydrophobicContact CG1-CE1 4.46Å; V437-Y452 HydrophobicContact CG2-CE1 4.11Å; A440-Y452 HydrophobicContact CB-CE1 4.22Å; E441-Y452 VanDerWaalsContact CD-OH 3.3Å; E441-Y452 WeakPolarHBondContact CG-OH 3.47Å; E441-Y452 PolarHBondContact OE1-OH 3.46Å; K448-Y452 HydrophobicContact CB-CE2 3.9Å; K448-Y452 HydrophobicContact CD-CE2 3.88Å; K448-Y452 HydrophobicContact CG-CD2 4.27Å; K448-Y452 HydrophobicContact CG-CE2 3.62Å; K448-Y452 WeakPolarHBondContact O-CD2 3.41Å; K448-Y452 VanDerWaalsContact O-CG 3.31Å; K448-Y452 PolarHBondContact O-N 3.42Å; E449-Y452 PolarHBondContact O-N 3.19Å; Y452-R454 VanDerWaalsContact C-N 3.29Å; Y452-R454 PolarHBondContact O-N 2.68Å; Y452-N455 CarbonylContact O-C 3.55Å; Y452-N455 VanDerWaalsContact O-O 3.12Å; Y452-A458 HydrophobicContact CD1-CB 4.1Å; Y452-V462 HydrophobicContact CD1-CG2 4.04Å; Y452-V462 HydrophobicContact CD2-CG2 4.2Å; Y452-V462 HydrophobicContact CE1-CG2 3.58Å; Y452-V462 HydrophobicContact CE2-CG1 4.27Å; Y452-V462 HydrophobicContact CE2-CG2 3.71Å; Y452-V462 HydrophobicContact CG-CG2 4.35Å
453	R	84.9	Confident	91.5	Very high	60 Å²	60	46.1 Å²	46.1	23%	0.226	23%	0.226	C	C	.	.	H	α-helix	trans	-66.1	-30.7	175.8	-163.7	-174	-61.1	137.1	6.8	113.3	E449 F451 D500 L501 P503 Y543 E545	E449-R453 WeakPolarHBondContact O-CB 3.49Å; E449-R453 PolarHBondContact O-N 3.48Å; F451-R453 VanDerWaalsContact C-N 3.25Å; F451-R453 PolarHBondContact O-N 3.2Å; R453-D500 PolarHBondContact NH1-O 3.22Å; R453-L501 PolarHBondContact NH2-O 2.95Å; R453-P503 VanDerWaalsContact NH1-CG 3.31Å; R453-Y543 WeakPolarHBondContact CD-OH 3.1Å; R453-Y543 HydrophobicContact CG-CE2 4.11Å; R453-Y543 WeakPolarHBondContact CG-OH 3.28Å; R453-E545 IonicContact NH1-OE1 3.53Å; R453-E545 PolarHBondContact NH1-OE1 3.39Å; R453-E545 VanDerWaalsContact NH1-OE1 3.14Å
454	R	80.6	Confident	91.3	Very high	23 Å²	23	51.4 Å²	51.4	9%	0.087	25%	0.25	C	S	.	.	H	α-helix	trans	-88	-27.9	-178	-73.2	167.3	177.1	62.7	8.3	112.9	I450 F451 Y452 E545 N555 I556	I450-R454 WeakPolarHBondContact O-CD 3.48Å; I450-R454 PolarHBondContact O-NH1 3.14Å; F451-R454 PolarHBondContact O-N 2.81Å; Y452-R454 VanDerWaalsContact C-N 3.29Å; Y452-R454 PolarHBondContact O-N 2.68Å; R454-E545 IonicContact CZ-OE1 2.84Å; R454-E545 IonicContact NH1-OE1 3.54Å; R454-E545 PolarHBondContact NH1-OE1 2.89Å; R454-E545 VanDerWaalsContact NH2-CD 3.32Å; R454-E545 IonicContact NH2-OE1 3.46Å; R454-E545 PolarHBondContact NH2-OE1 2.88Å; R454-E545 IonicContact NH2-OE2 3.48Å; R454-E545 PolarHBondContact NH2-OE2 2.75Å; R454-E545 VanDerWaalsContact NH2-OE2 3.13Å; R454-N555 PolarHBondContact NE-O 2.92Å; R454-N555 PolarHBondContact NH2-ND2 2.8Å; R454-N555 PolarHBondContact NH2-OD1 2.84Å; R454-I556 HydrophobicContact CB-CD1 4.41Å; R454-I556 HydrophobicContact CG-CD1 4.03Å
455	N	81.5	Confident	91.1	Very high	33 Å²	33	59.5 Å²	59.5	18%	0.176	29%	0.286	C	S	.	.			trans	-118.7	100.2	-178.2	-171.3	-33.4	0	0	0	110.6	F451 Y452 D457 A458 A459	F451-N455 HydrophobicContact CD2-CB 4.23Å; F451-N455 HydrophobicContact CE2-CB 3.75Å; F451-N455 HydrophobicContact CZ-CB 4.23Å; F451-N455 PolarHBondContact O-N 2.82Å; Y452-N455 CarbonylContact O-C 3.55Å; Y452-N455 VanDerWaalsContact O-O 3.12Å; N455-D457 VanDerWaalsContact C-N 3.31Å; N455-D457 PolarHBondContact O-N 2.71Å; N455-D457 WeakPolarHBondContact OD1-CB 3.41Å; N455-D457 PolarHBondContact OD1-N 2.63Å; N455-A458 HydrophobicContact CB-CB 3.88Å; N455-A458 WeakPolarHBondContact O-CB 3.49Å; N455-A458 PolarHBondContact O-N 2.84Å; N455-A458 VanDerWaalsContact O-N 3.16Å; N455-A458 PolarHBondContact OD1-N 3.41Å; N455-A459 PolarHBondContact O-N 3.13Å
456	T	81.2	Confident	90.9	Very high	90 Å²	90	59.9 Å²	59.9	55%	0.552	29%	0.294	S	S	*	.	H	α-helix	trans	-64.2	-33.3	-177.7	49.5	0	0	0	0	113	A459 K460	T456-A459 PolarHBondContact O-N 3.46Å; T456-K460 WeakPolarHBondContact O-CB 3.45Å; T456-K460 PolarHBondContact O-N 3.41Å
457	D	85.3	Confident	90.8	Very high	82 Å²	82	56.9 Å²	56.9	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-65	-41.8	174	-75.8	-30	0	0	0	111.1	A433 N455 K460 I461	A433-D457 HydrophobicContact CB-CB 4.28Å; N455-D457 VanDerWaalsContact C-N 3.31Å; N455-D457 PolarHBondContact O-N 2.71Å; N455-D457 WeakPolarHBondContact OD1-CB 3.41Å; N455-D457 PolarHBondContact OD1-N 2.63Å; D457-K460 PolarHBondContact O-N 2.95Å; D457-I461 WeakPolarHBondContact O-CD1 3.36Å; D457-I461 VanDerWaalsContact O-CG1 3.25Å; D457-I461 WeakPolarHBondContact O-CG1 3.28Å; D457-I461 PolarHBondContact O-N 3.04Å
458	A	90	Very high	90.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62	-48.4	174.5	0	0	0	0	0	111.6	V437 F451 Y452 N455 K460 I461 V462	V437-A458 HydrophobicContact CG2-CB 3.61Å; F451-A458 HydrophobicContact CD1-CB 4.32Å; F451-A458 HydrophobicContact CE1-CB 3.45Å; F451-A458 VanDerWaalsContact CE1-CB 3.45Å; F451-A458 HydrophobicContact CE2-CB 4.29Å; F451-A458 HydrophobicContact CZ-CB 3.43Å; F451-A458 VanDerWaalsContact CZ-CB 3.43Å; Y452-A458 HydrophobicContact CD1-CB 4.1Å; N455-A458 HydrophobicContact CB-CB 3.88Å; N455-A458 WeakPolarHBondContact O-CB 3.49Å; N455-A458 PolarHBondContact O-N 2.84Å; N455-A458 VanDerWaalsContact O-N 3.16Å; N455-A458 PolarHBondContact OD1-N 3.41Å; A458-K460 VanDerWaalsContact C-N 3.28Å; A458-K460 PolarHBondContact O-N 2.96Å; A458-I461 PolarHBondContact O-N 2.86Å; A458-I461 VanDerWaalsContact O-N 3.15Å; A458-V462 WeakPolarHBondContact O-CG2 3.41Å; A458-V462 PolarHBondContact O-N 2.79Å
459	A	89.8	Confident	90.8	Very high	39 Å²	39	60.5 Å²	60.5	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-57.8	-40.6	176	0	0	0	0	0	112.4	N455 T456 V462 K463	N455-A459 PolarHBondContact O-N 3.13Å; T456-A459 PolarHBondContact O-N 3.46Å; A459-V462 PolarHBondContact O-N 2.86Å; A459-K463 WeakPolarHBondContact O-CB 3.42Å; A459-K463 PolarHBondContact O-N 3.08Å
460	K	90.7	Very high	91	Very high	109 Å²	109	56.5 Å²	56.5	47%	0.474	29%	0.294	S	S	.	.	H	α-helix	trans	-63.6	-44.8	175.9	-177.4	179.7	176.8	-177.1	0	111.8	T456 D457 A458 V462 K463 Q464	T456-K460 WeakPolarHBondContact O-CB 3.45Å; T456-K460 PolarHBondContact O-N 3.41Å; D457-K460 PolarHBondContact O-N 2.95Å; A458-K460 VanDerWaalsContact C-N 3.28Å; A458-K460 PolarHBondContact O-N 2.96Å; K460-V462 VanDerWaalsContact C-N 3.31Å; K460-V462 PolarHBondContact O-N 3.3Å; K460-K463 PolarHBondContact O-N 3.29Å; K460-Q464 WeakPolarHBondContact O-CB 3.35Å; K460-Q464 VanDerWaalsContact O-CG 3.26Å; K460-Q464 WeakPolarHBondContact O-CG 3.17Å; K460-Q464 PolarHBondContact O-N 2.89Å
461	I	94.1	Very high	91.4	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-42.8	176.9	-71.4	164.5	0	0	0	110.7	Q430 A433 R434 V437 D457 A458 Q464 K465 A466 F467	Q430-I461 HydrophobicContact CG-CD1 4.04Å; A433-I461 HydrophobicContact CB-CD1 3.97Å; R434-I461 HydrophobicContact CB-CD1 4.25Å; V437-I461 HydrophobicContact CB-CG2 4.23Å; V437-I461 HydrophobicContact CG1-CG2 4.16Å; V437-I461 HydrophobicContact CG2-CB 4.25Å; V437-I461 HydrophobicContact CG2-CG2 4.09Å; D457-I461 WeakPolarHBondContact O-CD1 3.36Å; D457-I461 VanDerWaalsContact O-CG1 3.25Å; D457-I461 WeakPolarHBondContact O-CG1 3.28Å; D457-I461 PolarHBondContact O-N 3.04Å; A458-I461 PolarHBondContact O-N 2.86Å; A458-I461 VanDerWaalsContact O-N 3.15Å; I461-Q464 CarbonylContact O-C 3.49Å; I461-Q464 PolarHBondContact O-N 2.85Å; I461-K465 WeakPolarHBondContact O-CA 3.11Å; I461-K465 PolarHBondContact O-N 3.47Å; I461-A466 HydrophobicContact CG2-CB 4.23Å; I461-A466 PolarHBondContact O-N 2.81Å; I461-F467 HydrophobicContact CG2-CB 3.86Å; I461-F467 HydrophobicContact CG2-CD1 4.21Å
462	V	95.7	Very high	91.7	Very high	38 Å²	38	66 Å²	66	23%	0.23	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-49.8	176.6	174.7	0	0	0	0	111.1	V437 Y452 A458 A459 K460 Q464 K465	V437-V462 HydrophobicContact CG1-CG2 3.55Å; V437-V462 HydrophobicContact CG2-CG2 4.13Å; Y452-V462 HydrophobicContact CD1-CG2 4.04Å; Y452-V462 HydrophobicContact CD2-CG2 4.2Å; Y452-V462 HydrophobicContact CE1-CG2 3.58Å; Y452-V462 HydrophobicContact CE2-CG1 4.27Å; Y452-V462 HydrophobicContact CE2-CG2 3.71Å; Y452-V462 HydrophobicContact CG-CG2 4.35Å; A458-V462 WeakPolarHBondContact O-CG2 3.41Å; A458-V462 PolarHBondContact O-N 2.79Å; A459-V462 PolarHBondContact O-N 2.86Å; K460-V462 VanDerWaalsContact C-N 3.31Å; K460-V462 PolarHBondContact O-N 3.3Å; V462-Q464 PolarHBondContact O-N 3.13Å; V462-K465 PolarHBondContact O-N 3.4Å
463	K	94.1	Very high	92.1	Very high	187 Å²	187	66 Å²	66	81%	0.813	34%	0.344	S	S	*	.	H	α-helix	trans	-58	-35.6	178.2	-173.7	174.8	-178.1	173.8	0	112.3	A459 K460	A459-K463 WeakPolarHBondContact O-CB 3.42Å; A459-K463 PolarHBondContact O-N 3.08Å; K460-K463 PolarHBondContact O-N 3.29Å
464	Q	95.4	Very high	92.7	Very high	112 Å²	112	66.2 Å²	66.2	52%	0.523	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-5.4	178.4	-66.1	177.3	-9.1	0	0	113.5	K460 I461 V462 A466	K460-Q464 WeakPolarHBondContact O-CB 3.35Å; K460-Q464 VanDerWaalsContact O-CG 3.26Å; K460-Q464 WeakPolarHBondContact O-CG 3.17Å; K460-Q464 PolarHBondContact O-N 2.89Å; I461-Q464 CarbonylContact O-C 3.49Å; I461-Q464 PolarHBondContact O-N 2.85Å; V462-Q464 PolarHBondContact O-N 3.13Å; Q464-A466 HydrophobicContact CB-CB 4.18Å; Q464-A466 PolarHBondContact O-N 3.44Å
465	K	94.7	Very high	93.6	Very high	171 Å²	171	71.2 Å²	71.2	74%	0.743	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	34.9	-170.7	-59.8	-174.5	176.3	-175.3	0	113.1	I461 V462 F467	I461-K465 WeakPolarHBondContact O-CA 3.11Å; I461-K465 PolarHBondContact O-N 3.47Å; V462-K465 PolarHBondContact O-N 3.4Å; K465-F467 VanDerWaalsContact C-N 3.26Å; K465-F467 PolarHBondContact O-N 2.75Å
466	A	94.8	Very high	94.3	Very high	47 Å²	47	70.8 Å²	70.8	39%	0.388	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	9	-173.7	0	0	0	0	0	113.8	I461 Q464	I461-A466 HydrophobicContact CG2-CB 4.23Å; I461-A466 PolarHBondContact O-N 2.81Å; Q464-A466 HydrophobicContact CB-CB 4.18Å; Q464-A466 PolarHBondContact O-N 3.44Å
467	F	95.5	Very high	95.1	Very high	29 Å²	29	67.6 Å²	67.6	13%	0.127	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.2	-179.8	54.3	-96.3	0	0	0	114	R434 V437 R438 E441 I461 K465 L470	R434-F467 PolarHBondContact NH2-O 3.35Å; V437-F467 HydrophobicContact CB-CB 4.23Å; V437-F467 HydrophobicContact CG1-CB 3.64Å; V437-F467 HydrophobicContact CG1-CD1 3.57Å; V437-F467 HydrophobicContact CG1-CE1 4.37Å; V437-F467 HydrophobicContact CG1-CG 3.69Å; R438-F467 WeakPolarHBondContact CD-O 3.34Å; R438-F467 HydrophobicContact CG-CB 4.1Å; R438-F467 WeakPolarHBondContact CG-O 3.36Å; R438-F467 PolarHBondContact NH1-O 3.1Å; E441-F467 HydrophobicContact CG-CE1 4.5Å; E441-F467 HydrophobicContact CG-CE2 4.22Å; E441-F467 HydrophobicContact CG-CZ 4.17Å; I461-F467 HydrophobicContact CG2-CB 3.86Å; I461-F467 HydrophobicContact CG2-CD1 4.21Å; K465-F467 VanDerWaalsContact C-N 3.26Å; K465-F467 PolarHBondContact O-N 2.75Å; F467-L470 HydrophobicContact CD2-CD1 3.77Å; F467-L470 HydrophobicContact CD2-CG 4.07Å; F467-L470 HydrophobicContact CE2-CD1 3.56Å; F467-L470 HydrophobicContact CE2-CG 4.09Å
468	G	96	Very high	95.7	Very high	39 Å²	39	70 Å²	70	40%	0.402	36%	0.355	S	S	.	.			trans	82.2	-175.8	178.7	0	0	0	0	0	113.6
469	D	97.4	Very high	96.1	Very high	104 Å²	104	76 Å²	76	56%	0.556	38%	0.378	S	S	*	.			trans	-73.2	140.8	-179.8	-178.7	32.7	0	0	0	111.8	R438 S471	R438-D469 PolarHBondContact NH1-O 3.25Å; R438-D469 PolarHBondContact NH2-O 3.47Å; D469-S471 WeakPolarHBondContact OD1-CB 3.31Å; D469-S471 PolarHBondContact OD1-N 2.82Å; D469-S471 PolarHBondContact OD1-OG 3.38Å; D469-S471 WeakPolarHBondContact OD2-CB 3.38Å; D469-S471 PolarHBondContact OD2-OG 3.23Å
470	L	98.1	Very high	96.5	Very high	9 Å²	9	74.9 Å²	74.9	5%	0.047	37%	0.366	C	S	.	.			trans	-119.8	2.8	179.5	-64.4	176.4	0	0	0	112.4	R438 E441 V442 F467 K472 R473 F474	R438-L470 HydrophobicContact CB-CD2 3.91Å; R438-L470 HydrophobicContact CG-CD2 4.04Å; R438-L470 VanDerWaalsContact CZ-CD2 3.49Å; E441-L470 HydrophobicContact CB-CD1 3.33Å; E441-L470 HydrophobicContact CG-CD1 3.97Å; V442-L470 HydrophobicContact CG2-CB 4.23Å; V442-L470 HydrophobicContact CG2-CD1 4.07Å; V442-L470 HydrophobicContact CG2-CD2 3.98Å; V442-L470 HydrophobicContact CG2-CG 4.33Å; F467-L470 HydrophobicContact CD2-CD1 3.77Å; F467-L470 HydrophobicContact CD2-CG 4.07Å; F467-L470 HydrophobicContact CE2-CD1 3.56Å; F467-L470 HydrophobicContact CE2-CG 4.09Å; L470-K472 VanDerWaalsContact C-N 3.33Å; L470-K472 PolarHBondContact O-N 3Å; L470-R473 PolarHBondContact O-N 3.08Å; L470-F474 HydrophobicContact CB-CD2 3.79Å; L470-F474 HydrophobicContact CB-CE2 3.62Å; L470-F474 HydrophobicContact CD1-CE2 4.11Å; L470-F474 WeakPolarHBondContact O-CD2 3.33Å; L470-F474 PolarHBondContact O-N 3.25Å
471	S	98	Very high	96.8	Very high	72 Å²	72	77.3 Å²	77.3	50%	0.503	38%	0.379	S	S	.	.	H	α-helix	trans	-53.6	-46.1	-172.7	-60.1	0	0	0	0	112.7	D469 R473 F474 E475	D469-S471 WeakPolarHBondContact OD1-CB 3.31Å; D469-S471 PolarHBondContact OD1-N 2.82Å; D469-S471 PolarHBondContact OD1-OG 3.38Å; D469-S471 WeakPolarHBondContact OD2-CB 3.38Å; D469-S471 PolarHBondContact OD2-OG 3.23Å; S471-R473 VanDerWaalsContact C-N 3.3Å; S471-R473 PolarHBondContact O-N 3.13Å; S471-F474 PolarHBondContact O-N 3.22Å; S471-E475 WeakPolarHBondContact O-CB 3.35Å; S471-E475 PolarHBondContact O-N 3.45Å
472	K	97.9	Very high	97	Very high	128 Å²	128	78.1 Å²	78.1	56%	0.557	39%	0.385	S	S	*	.	H	α-helix	trans	-59.5	-38.2	176.2	-67.5	-178.1	178.8	177.3	0	112.8	E382 L470 I476	E382-K472 IonicContact OE2-NZ 3.68Å; L470-K472 VanDerWaalsContact C-N 3.33Å; L470-K472 PolarHBondContact O-N 3Å; K472-I476 WeakPolarHBondContact O-CG1 3.1Å; K472-I476 PolarHBondContact O-N 2.87Å; K472-I476 VanDerWaalsContact O-N 3.17Å
473	R	98.4	Very high	97.2	Very high	12 Å²	12	80 Å²	80	5%	0.045	39%	0.39	C	S	.	.	H	α-helix	trans	-73.9	-39.9	-178.3	-56.2	-51.2	-61.9	174.1	-1.8	111.1	G378 Y380 D381 E393 R397 V442 L470 S471 I476 K477	G378-R473 PolarHBondContact O-NH1 3.25Å; Y380-R473 PolarHBondContact O-NH1 2.98Å; D381-R473 HydrophobicContact CB-CG 4.47Å; E393-R473 IonicContact OE1-CZ 2.73Å; E393-R473 IonicContact OE1-NE 3.14Å; E393-R473 IonicContact OE1-NH2 2.79Å; E393-R473 PolarHBondContact OE1-NH2 3.15Å; E393-R473 IonicContact OE2-NH2 3.26Å; R397-R473 VanDerWaalsContact CD-NH2 3.31Å; V442-R473 HydrophobicContact CG1-CB 4.04Å; V442-R473 HydrophobicContact CG2-CB 3.76Å; L470-R473 PolarHBondContact O-N 3.08Å; S471-R473 VanDerWaalsContact C-N 3.3Å; S471-R473 PolarHBondContact O-N 3.13Å; R473-I476 PolarHBondContact O-N 2.86Å; R473-K477 PolarHBondContact O-N 2.87Å
474	F	98.4	Very high	97.4	Very high	65 Å²	65	74.9 Å²	74.9	29%	0.285	37%	0.372	S	S	.	.	H	α-helix	trans	-63.9	-41	171.8	-75.8	-61.3	0	0	0	112.3	E441 V442 L470 S471 I476 K477 H478	E441-F474 WeakPolarHBondContact O-CZ 3.39Å; V442-F474 HydrophobicContact CG1-CD1 4.49Å; V442-F474 HydrophobicContact CG2-CE1 4.45Å; V442-F474 HydrophobicContact CG2-CE2 4.47Å; V442-F474 HydrophobicContact CG2-CZ 4.29Å; L470-F474 HydrophobicContact CB-CD2 3.79Å; L470-F474 HydrophobicContact CB-CE2 3.62Å; L470-F474 HydrophobicContact CD1-CE2 4.11Å; L470-F474 WeakPolarHBondContact O-CD2 3.33Å; L470-F474 PolarHBondContact O-N 3.25Å; S471-F474 PolarHBondContact O-N 3.22Å; F474-I476 VanDerWaalsContact C-N 3.31Å; F474-I476 PolarHBondContact O-N 2.93Å; F474-K477 PolarHBondContact O-N 3.06Å; F474-H478 PolarHBondContact O-CD2 2.71Å; F474-H478 VanDerWaalsContact O-CG 3.31Å; F474-H478 PolarHBondContact O-N 2.88Å
475	E	97.9	Very high	97.5	Very high	127 Å²	127	69.5 Å²	69.5	59%	0.593	35%	0.347	S	S	*	.	H	α-helix	trans	-56.8	-44.9	174.9	-174	-174.8	166.3	0	0	111.4	S471 H478 R479	S471-E475 WeakPolarHBondContact O-CB 3.35Å; S471-E475 PolarHBondContact O-N 3.45Å; E475-H478 PolarHBondContact O-N 2.98Å; E475-R479 WeakPolarHBondContact O-CB 3.13Å; E475-R479 PolarHBondContact O-N 3.07Å
476	I	97.3	Very high	97.7	Very high	24 Å²	24	63.1 Å²	63.1	12%	0.123	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-48.7	175.1	-67	164.6	0	0	0	110.9	K472 R473 F474 H478 R479 L480	K472-I476 WeakPolarHBondContact O-CG1 3.1Å; K472-I476 PolarHBondContact O-N 2.87Å; K472-I476 VanDerWaalsContact O-N 3.17Å; R473-I476 PolarHBondContact O-N 2.86Å; F474-I476 VanDerWaalsContact C-N 3.31Å; F474-I476 PolarHBondContact O-N 2.93Å; I476-H478 VanDerWaalsContact C-N 3.27Å; I476-H478 PolarHBondContact O-N 3.15Å; I476-R479 PolarHBondContact O-N 3.35Å; I476-L480 HydrophobicContact CG2-CD1 3.69Å; I476-L480 HydrophobicContact CG2-CG 4.32Å; I476-L480 WeakPolarHBondContact O-CB 3.28Å; I476-L480 WeakPolarHBondContact O-CG 3.34Å; I476-L480 PolarHBondContact O-N 3.11Å
477	K	97.9	Very high	97.9	Very high	23 Å²	23	64.2 Å²	64.2	10%	0.1	32%	0.316	C	S	.	.	H	α-helix	trans	-56.1	-42.2	178.4	-174.3	177.9	180	-177.2	0	111.7	V442 W443 D445 R473 F474 Q481 C482	V442-K477 HydrophobicContact CG1-CD 4.33Å; V442-K477 VanDerWaalsContact O-CD 3.24Å; V442-K477 WeakPolarHBondContact O-CD 3.29Å; V442-K477 WeakPolarHBondContact O-CE 3.44Å; V442-K477 PolarHBondContact O-NZ 3.41Å; W443-K477 HydrophobicContact CE3-CD 4.37Å; W443-K477 HydrophobicContact CH2-CB 3.96Å; W443-K477 HydrophobicContact CH2-CG 4.18Å; W443-K477 HydrophobicContact CZ3-CB 4.23Å; W443-K477 HydrophobicContact CZ3-CD 4.23Å; W443-K477 HydrophobicContact CZ3-CG 3.91Å; D445-K477 IonicContact OD1-NZ 2.73Å; D445-K477 PolarHBondContact OD1-NZ 2.98Å; R473-K477 PolarHBondContact O-N 2.87Å; F474-K477 PolarHBondContact O-N 3.06Å; K477-Q481 PolarHBondContact O-N 3.27Å; K477-C482 HydrophobicContact CG-CB 4.09Å; K477-C482 PolarHBondContact O-N 2.9Å; K477-C482 VanDerWaalsContact O-N 3.12Å; K477-C482 PolarHBondContact O-SG 3.34Å
478	H	97.9	Very high	98	Very high	134 Å²	134	62.9 Å²	62.9	62%	0.62	31%	0.31	S	S	*	.	H	α-helix	trans	-73.6	-48	179.1	-66.6	-46	0	0	0	112.9	F474 E475 I476 L480 Q481	F474-H478 PolarHBondContact O-CD2 2.71Å; F474-H478 VanDerWaalsContact O-CG 3.31Å; F474-H478 PolarHBondContact O-N 2.88Å; E475-H478 PolarHBondContact O-N 2.98Å; I476-H478 VanDerWaalsContact C-N 3.27Å; I476-H478 PolarHBondContact O-N 3.15Å; H478-L480 VanDerWaalsContact C-N 3.28Å; H478-L480 PolarHBondContact O-N 2.89Å; H478-Q481 PolarHBondContact O-N 2.55Å
479	R	97.8	Very high	98	Very high	125 Å²	125	61.2 Å²	61.2	47%	0.472	29%	0.292	S	S	.	.	H	α-helix	trans	-57.9	-41.2	179.8	179.4	179.1	61.3	78.9	-0.1	111.8	Y376 E475 I476 Q481	Y376-R479 PolarHBondContact O-NH2 2.81Å; Y376-R479 VanDerWaalsContact O-NH2 3.12Å; E475-R479 WeakPolarHBondContact O-CB 3.13Å; E475-R479 PolarHBondContact O-N 3.07Å; I476-R479 PolarHBondContact O-N 3.35Å; R479-Q481 VanDerWaalsContact C-N 3.29Å
480	L	97.6	Very high	97.9	Very high	15 Å²	15	60.9 Å²	60.9	8%	0.079	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-0.6	179.9	-63.1	-178.5	0	0	0	113.6	Y376 I377 C401 I476 H478 C482	Y376-L480 HydrophobicContact CD1-CD2 4.28Å; Y376-L480 HydrophobicContact CE1-CD2 3.55Å; Y376-L480 HydrophobicContact CE2-CD2 3.95Å; Y376-L480 WeakPolarHBondContact OH-CD2 3.33Å; I377-L480 HydrophobicContact CD1-CD1 3.73Å; C401-L480 HydrophobicContact CB-CB 4.34Å; C401-L480 HydrophobicContact CB-CD1 4.25Å; I476-L480 HydrophobicContact CG2-CD1 3.69Å; I476-L480 HydrophobicContact CG2-CG 4.32Å; I476-L480 WeakPolarHBondContact O-CB 3.28Å; I476-L480 WeakPolarHBondContact O-CG 3.34Å; I476-L480 PolarHBondContact O-N 3.11Å; H478-L480 VanDerWaalsContact C-N 3.28Å; H478-L480 PolarHBondContact O-N 2.89Å; L480-C482 VanDerWaalsContact CB-SG 3.56Å; L480-C482 PolarHBondContact O-N 2.83Å
481	Q	98.2	Very high	97.8	Very high	160 Å²	160	65 Å²	65	75%	0.748	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	43.3	-179.8	-54.9	-177.9	13.2	0	0	112.7	K477 H478 R479	K477-Q481 PolarHBondContact O-N 3.27Å; H478-Q481 PolarHBondContact O-N 2.55Å; R479-Q481 VanDerWaalsContact C-N 3.29Å
482	C	98.6	Very high	97.8	Very high	20 Å²	20	62.9 Å²	62.9	14%	0.135	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-64.7	145	-174.1	-48.2	0	0	0	0	111.4	Q400 C401 W443 K477 L480	Q400-C482 HydrophobicContact CB-CB 4.22Å; Q400-C482 CarbonylContact O-C 3.1Å; Q400-C482 VanDerWaalsContact O-CA 3.27Å; Q400-C482 WeakPolarHBondContact O-CA 3.33Å; C401-C482 HydrophobicContact CB-CB 4.02Å; C401-C482 WeakPolarHBondContact CB-SG 3.39Å; C401-C482 WeakPolarHBondContact SG-CB 3.14Å; C401-C482 CovalentContact SG-SG 2.03Å; C401-C482 PolarHBondContact SG-SG 3.33Å; W443-C482 HydrophobicContact CZ3-CB 4.06Å; K477-C482 HydrophobicContact CG-CB 4.09Å; K477-C482 PolarHBondContact O-N 2.9Å; K477-C482 VanDerWaalsContact O-N 3.12Å; K477-C482 PolarHBondContact O-SG 3.34Å; L480-C482 VanDerWaalsContact CB-SG 3.56Å; L480-C482 PolarHBondContact O-N 2.83Å
483	K	98.7	Very high	97.7	Very high	76 Å²	76	57.1 Å²	57.1	33%	0.33	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-66.7	156.6	174.3	-57.8	-57.4	-168.3	-166.2	0	111	I82 Q400 W487	I82-K483 HydrophobicContact CD1-CD 4.44Å; I82-K483 HydrophobicContact CD1-CG 4.42Å; Q400-K483 WeakPolarHBondContact CB-O 3.29Å; Q400-K483 WeakPolarHBondContact CG-O 3.38Å; Q400-K483 PolarHBondContact NE2-O 3.35Å; Q400-K483 PolarHBondContact O-N 3.09Å; K483-W487 HydrophobicContact CB-CB 3.93Å; K483-W487 HydrophobicContact CB-CD2 3.54Å; K483-W487 HydrophobicContact CB-CE3 3.52Å; K483-W487 HydrophobicContact CB-CG 3.71Å; K483-W487 HydrophobicContact CB-CZ3 4.28Å; K483-W487 HydrophobicContact CG-CD2 3.68Å; K483-W487 HydrophobicContact CG-CE3 3.93Å; K483-W487 HydrophobicContact CG-CG 3.98Å; K483-W487 HydrophobicContact CG-CZ2 4.42Å; K483-W487 HydrophobicContact CG-CZ3 4.41Å
484	N	98.5	Very high	97.4	Very high	80 Å²	80	59.6 Å²	59.6	43%	0.428	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-76.7	171.3	177.3	70.2	2.3	0	0	0	112.1	Q400 D445 T486 W487 Y488	Q400-N484 VanDerWaalsContact NE2-C 3.33Å; D445-N484 VanDerWaalsContact OD2-CA 3.26Å; D445-N484 WeakPolarHBondContact OD2-CA 3.41Å; D445-N484 WeakPolarHBondContact OD2-CB 3.22Å; N484-T486 VanDerWaalsContact C-N 3.35Å; N484-W487 WeakPolarHBondContact O-CB 3.42Å; N484-W487 PolarHBondContact O-N 3.23Å; N484-W487 VanDerWaalsContact OD1-CB 3.29Å; N484-W487 WeakPolarHBondContact OD1-CB 3.44Å; N484-W487 PolarHBondContact OD1-N 3.12Å; N484-Y488 PolarHBondContact O-N 3.06Å
485	F	98.6	Very high	96.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-71.1	-30.6	-177.3	-156.7	-112.7	0	0	0	112.5	F331 W333 F396 W443 M444 D445 Y447 W487 Y488 L489	F331-F485 HydrophobicContact CE2-CZ 4.41Å; F331-F485 HydrophobicContact CZ-CE1 4.43Å; F331-F485 AromaticContact CZ-CZ 3.86Å; F331-F485 HydrophobicContact CZ-CZ 3.86Å; W333-F485 HydrophobicContact CH2-CE1 4.33Å; W333-F485 HydrophobicContact CZ3-CE1 4.44Å; F396-F485 AromaticContact CD1-CE2 3.94Å; F396-F485 HydrophobicContact CD1-CE2 3.94Å; F396-F485 AromaticContact CD2-CE2 3.72Å; F396-F485 HydrophobicContact CD2-CE2 3.72Å; F396-F485 HydrophobicContact CD2-CZ 4.43Å; F396-F485 AromaticContact CE1-CE2 3.87Å; F396-F485 HydrophobicContact CE1-CE2 3.87Å; F396-F485 HydrophobicContact CE1-CZ 4.09Å; F396-F485 AromaticContact CE2-CE2 3.63Å; F396-F485 HydrophobicContact CE2-CE2 3.63Å; F396-F485 AromaticContact CE2-CZ 3.88Å; F396-F485 HydrophobicContact CE2-CZ 3.88Å; F396-F485 AromaticContact CG-CE2 3.89Å; F396-F485 HydrophobicContact CG-CE2 3.89Å; F396-F485 AromaticContact CZ-CE2 3.71Å; F396-F485 HydrophobicContact CZ-CE2 3.71Å; F396-F485 AromaticContact CZ-CZ 3.69Å; F396-F485 HydrophobicContact CZ-CZ 3.69Å; W443-F485 WeakPolarHBondContact O-CB 3.47Å; W443-F485 VanDerWaalsContact O-CD2 3.31Å; W443-F485 WeakPolarHBondContact O-CD2 3.42Å; M444-F485 HydrophobicContact CB-CD1 4.39Å; M444-F485 HydrophobicContact CB-CG 4.38Å; M444-F485 HydrophobicContact CE-CE1 4.28Å; M444-F485 HydrophobicContact CE-CZ 4.41Å; M444-F485 HydrophobicContact CG-CD2 4.3Å; M444-F485 HydrophobicContact CG-CE1 4.28Å; M444-F485 HydrophobicContact CG-CE2 4.02Å; M444-F485 HydrophobicContact CG-CZ 4Å; D445-F485 HydrophobicContact CB-CB 4.43Å; D445-F485 PolarHBondContact OD2-N 2.81Å; Y447-F485 HydrophobicContact CD2-CB 4.01Å; Y447-F485 AromaticContact CD2-CD1 3.57Å; Y447-F485 HydrophobicContact CD2-CD1 3.57Å; Y447-F485 HydrophobicContact CD2-CG 4.28Å; Y447-F485 HydrophobicContact CE2-CB 4.39Å; Y447-F485 HydrophobicContact CE2-CD1 4.3Å; Y447-F485 AromaticContact CG-CD1 3.74Å; Y447-F485 HydrophobicContact CG-CD1 3.74Å; Y447-F485 HydrophobicContact CG-CE1 4.34Å; F485-W487 VanDerWaalsContact C-N 3.27Å; F485-W487 PolarHBondContact O-N 3.01Å; F485-Y488 HydrophobicContact CD2-CD1 4.06Å; F485-Y488 HydrophobicContact CD2-CG 4.39Å; F485-Y488 AromaticContact CE2-CD1 3.64Å; F485-Y488 HydrophobicContact CE2-CD1 3.64Å; F485-Y488 HydrophobicContact CE2-CE1 4.05Å; F485-Y488 HydrophobicContact CE2-CG 4.3Å; F485-Y488 AromaticContact CZ-CD1 3.99Å; F485-Y488 HydrophobicContact CZ-CD1 3.99Å; F485-Y488 HydrophobicContact CZ-CE1 4.2Å; F485-Y488 WeakPolarHBondContact O-CB 3.4Å; F485-Y488 PolarHBondContact O-N 3.46Å; F485-Y488 VanDerWaalsContact O-N 3.08Å; F485-L489 HydrophobicContact CD1-CD1 3.81Å; F485-L489 HydrophobicContact CD1-CD2 4.4Å; F485-L489 HydrophobicContact CD1-CG 3.96Å; F485-L489 HydrophobicContact CE1-CD1 3.96Å; F485-L489 HydrophobicContact CE1-CD2 3.85Å; F485-L489 HydrophobicContact CE1-CG 3.94Å; F485-L489 HydrophobicContact CZ-CD2 4.31Å; F485-L489 WeakPolarHBondContact O-CG 3.46Å; F485-L489 PolarHBondContact O-N 3.29Å
486	T	97.8	Very high	96.5	Very high	36 Å²	36	54.6 Å²	54.6	22%	0.221	27%	0.266	C	S	.	.	H	α-helix	trans	-56.8	-42.8	170.4	-49.2	0	0	0	0	111.4	Y447 N484 Y488 L489 N490	Y447-T486 WeakPolarHBondContact CE2-OG1 3.44Å; Y447-T486 PolarHBondContact OH-OG1 2.82Å; N484-T486 VanDerWaalsContact C-N 3.35Å; T486-Y488 VanDerWaalsContact C-N 3.34Å; T486-L489 PolarHBondContact O-N 3.26Å; T486-N490 WeakPolarHBondContact O-CB 3.4Å; T486-N490 VanDerWaalsContact O-CG 3.25Å; T486-N490 PolarHBondContact O-N 3.32Å; T486-N490 PolarHBondContact O-ND2 3.08Å
487	W	98.4	Very high	95.9	Very high	71 Å²	71	54 Å²	54	27%	0.269	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-42.9	174.9	175.2	92.3	0	0	0	111.1	W399 K483 N484 F485 N490 N491 I492	W399-W487 WeakPolarHBondContact O-CZ3 3.46Å; K483-W487 HydrophobicContact CB-CB 3.93Å; K483-W487 HydrophobicContact CB-CD2 3.54Å; K483-W487 HydrophobicContact CB-CE3 3.52Å; K483-W487 HydrophobicContact CB-CG 3.71Å; K483-W487 HydrophobicContact CB-CZ3 4.28Å; K483-W487 HydrophobicContact CG-CD2 3.68Å; K483-W487 HydrophobicContact CG-CE3 3.93Å; K483-W487 HydrophobicContact CG-CG 3.98Å; K483-W487 HydrophobicContact CG-CZ2 4.42Å; K483-W487 HydrophobicContact CG-CZ3 4.41Å; N484-W487 WeakPolarHBondContact O-CB 3.42Å; N484-W487 PolarHBondContact O-N 3.23Å; N484-W487 VanDerWaalsContact OD1-CB 3.29Å; N484-W487 WeakPolarHBondContact OD1-CB 3.44Å; N484-W487 PolarHBondContact OD1-N 3.12Å; F485-W487 VanDerWaalsContact C-N 3.27Å; F485-W487 PolarHBondContact O-N 3.01Å; W487-N490 PolarHBondContact O-N 3.49Å; W487-N491 HydrophobicContact CD2-CB 4.36Å; W487-N491 HydrophobicContact CZ2-CB 4.16Å; W487-N491 PolarHBondContact NE1-ND2 2.81Å; W487-N491 VanDerWaalsContact O-CB 3.29Å; W487-N491 WeakPolarHBondContact O-CB 3.4Å; W487-N491 PolarHBondContact O-N 2.75Å; W487-N491 PolarHBondContact O-ND2 2.77Å; W487-I492 HydrophobicContact CH2-CD1 3.89Å; W487-I492 HydrophobicContact CH2-CG1 4.08Å; W487-I492 HydrophobicContact CZ3-CD1 4.22Å; W487-I492 HydrophobicContact CZ3-CG1 3.88Å
488	Y	98.8	Very high	95.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-50.3	177.4	171.6	-92.2	0	0	0	111.4	F331 P360 F396 W399 N484 F485 T486 N490 N491 I492 Y493	F331-Y488 AromaticContact CE1-CE1 3.92Å; F331-Y488 HydrophobicContact CE1-CE1 3.92Å; F331-Y488 HydrophobicContact CZ-CE1 4.49Å; P360-Y488 PolarHBondContact O-OH 3.3Å; F396-Y488 AromaticContact CD1-CE1 3.96Å; F396-Y488 HydrophobicContact CD1-CE1 3.96Å; F396-Y488 HydrophobicContact CD1-CE2 4.08Å; F396-Y488 AromaticContact CD1-CZ 3.68Å; F396-Y488 AromaticContact CE1-CE1 3.78Å; F396-Y488 HydrophobicContact CE1-CE1 3.78Å; F396-Y488 AromaticContact CE1-CZ 3.77Å; W399-Y488 HydrophobicContact CB-CD2 3.76Å; W399-Y488 HydrophobicContact CB-CE2 3.89Å; W399-Y488 AromaticContact CD1-CE2 3.75Å; W399-Y488 HydrophobicContact CG-CD2 4.3Å; W399-Y488 HydrophobicContact CG-CE2 4.01Å; N484-Y488 PolarHBondContact O-N 3.06Å; F485-Y488 HydrophobicContact CD2-CD1 4.06Å; F485-Y488 HydrophobicContact CD2-CG 4.39Å; F485-Y488 AromaticContact CE2-CD1 3.64Å; F485-Y488 HydrophobicContact CE2-CD1 3.64Å; F485-Y488 HydrophobicContact CE2-CE1 4.05Å; F485-Y488 HydrophobicContact CE2-CG 4.3Å; F485-Y488 AromaticContact CZ-CD1 3.99Å; F485-Y488 HydrophobicContact CZ-CD1 3.99Å; F485-Y488 HydrophobicContact CZ-CE1 4.2Å; F485-Y488 WeakPolarHBondContact O-CB 3.4Å; F485-Y488 PolarHBondContact O-N 3.46Å; F485-Y488 VanDerWaalsContact O-N 3.08Å; T486-Y488 VanDerWaalsContact C-N 3.34Å; Y488-N490 VanDerWaalsContact C-N 3.34Å; Y488-N490 PolarHBondContact O-N 3.16Å; Y488-N491 PolarHBondContact O-N 3.34Å; Y488-I492 HydrophobicContact CD2-CB 3.84Å; Y488-I492 HydrophobicContact CD2-CG1 3.91Å; Y488-I492 HydrophobicContact CD2-CG2 4.1Å; Y488-I492 HydrophobicContact CE2-CB 3.92Å; Y488-I492 HydrophobicContact CE2-CG1 4.36Å; Y488-I492 HydrophobicContact CE2-CG2 3.67Å; Y488-I492 HydrophobicContact CG-CB 4.43Å; Y488-I492 WeakPolarHBondContact O-CA 3.34Å; Y488-I492 VanDerWaalsContact O-CB 3.27Å; Y488-I492 WeakPolarHBondContact O-CB 3.43Å; Y488-I492 PolarHBondContact O-N 3.06Å; Y488-Y493 PolarHBondContact O-N 2.9Å
489	L	96.1	Very high	94.7	Very high	4 Å²	4	49 Å²	49	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-60.1	-42.9	177.7	-63.6	172.5	0	0	0	111.5	F331 W333 Y447 F485 T486 Y493 P494 V496 V498	F331-L489 HydrophobicContact CZ-CD2 4.39Å; W333-L489 HydrophobicContact CH2-CD1 4.36Å; W333-L489 HydrophobicContact CH2-CD2 4.37Å; Y447-L489 HydrophobicContact CD1-CD1 3.7Å; Y447-L489 HydrophobicContact CD2-CD1 4.29Å; Y447-L489 HydrophobicContact CE1-CD1 3.48Å; Y447-L489 VanDerWaalsContact CE1-CD1 3.48Å; Y447-L489 HydrophobicContact CE2-CD1 4.08Å; Y447-L489 HydrophobicContact CG-CD1 4.1Å; F485-L489 HydrophobicContact CD1-CD1 3.81Å; F485-L489 HydrophobicContact CD1-CD2 4.4Å; F485-L489 HydrophobicContact CD1-CG 3.96Å; F485-L489 HydrophobicContact CE1-CD1 3.96Å; F485-L489 HydrophobicContact CE1-CD2 3.85Å; F485-L489 HydrophobicContact CE1-CG 3.94Å; F485-L489 HydrophobicContact CZ-CD2 4.31Å; F485-L489 WeakPolarHBondContact O-CG 3.46Å; F485-L489 PolarHBondContact O-N 3.29Å; T486-L489 PolarHBondContact O-N 3.26Å; L489-Y493 CarbonylContact O-C 3.57Å; L489-Y493 VanDerWaalsContact O-O 3.13Å; L489-P494 WeakPolarHBondContact O-CA 3.49Å; L489-V496 HydrophobicContact CD2-CG1 3.62Å; L489-V498 HydrophobicContact CD1-CG1 4.39Å; L489-V498 HydrophobicContact CD1-CG2 4.04Å; L489-V498 HydrophobicContact CD2-CG2 4.45Å
490	N	95.3	Very high	94	Very high	98 Å²	98	45 Å²	45	52%	0.524	23%	0.231	S	C	.	.	H	α-helix	trans	-76.1	-27.3	-176.7	-70.9	-19.3	0	0	0	114.7	T486 W487 Y488	T486-N490 WeakPolarHBondContact O-CB 3.4Å; T486-N490 VanDerWaalsContact O-CG 3.25Å; T486-N490 PolarHBondContact O-N 3.32Å; T486-N490 PolarHBondContact O-ND2 3.08Å; W487-N490 PolarHBondContact O-N 3.49Å; Y488-N490 VanDerWaalsContact C-N 3.34Å; Y488-N490 PolarHBondContact O-N 3.16Å
491	N	96.7	Very high	93.4	Very high	95 Å²	95	46.6 Å²	46.6	51%	0.508	24%	0.239	S	C	.	.	H	α-helix	trans	-112.1	-30	-170.5	-65.6	-95.8	0	0	0	113.4	W487 Y488	W487-N491 HydrophobicContact CD2-CB 4.36Å; W487-N491 HydrophobicContact CZ2-CB 4.16Å; W487-N491 PolarHBondContact NE1-ND2 2.81Å; W487-N491 VanDerWaalsContact O-CB 3.29Å; W487-N491 WeakPolarHBondContact O-CB 3.4Å; W487-N491 PolarHBondContact O-N 2.75Å; W487-N491 PolarHBondContact O-ND2 2.77Å; Y488-N491 PolarHBondContact O-N 3.34Å
492	I	97.7	Very high	92.7	Very high	27 Å²	27	45.8 Å²	45.8	14%	0.138	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-42.5	-174.7	-54.2	-51.3	0	0	0	110.8	W399 W487 Y488 P494	W399-I492 HydrophobicContact CB-CG1 4.15Å; W399-I492 HydrophobicContact CD2-CB 4.47Å; W399-I492 HydrophobicContact CD2-CD1 3.78Å; W399-I492 HydrophobicContact CD2-CG1 3.95Å; W399-I492 HydrophobicContact CD2-CG2 3.68Å; W399-I492 HydrophobicContact CE3-CD1 3.32Å; W399-I492 HydrophobicContact CE3-CG1 3.98Å; W399-I492 HydrophobicContact CE3-CG2 4.36Å; W399-I492 HydrophobicContact CG-CD1 4.41Å; W399-I492 HydrophobicContact CG-CG1 4.07Å; W399-I492 HydrophobicContact CG-CG2 3.78Å; W399-I492 HydrophobicContact CH2-CD1 4.35Å; W399-I492 HydrophobicContact CZ2-CG2 4.17Å; W399-I492 HydrophobicContact CZ3-CD1 3.65Å; W487-I492 HydrophobicContact CH2-CD1 3.89Å; W487-I492 HydrophobicContact CH2-CG1 4.08Å; W487-I492 HydrophobicContact CZ3-CD1 4.22Å; W487-I492 HydrophobicContact CZ3-CG1 3.88Å; Y488-I492 HydrophobicContact CD2-CB 3.84Å; Y488-I492 HydrophobicContact CD2-CG1 3.91Å; Y488-I492 HydrophobicContact CD2-CG2 4.1Å; Y488-I492 HydrophobicContact CE2-CB 3.92Å; Y488-I492 HydrophobicContact CE2-CG1 4.36Å; Y488-I492 HydrophobicContact CE2-CG2 3.67Å; Y488-I492 HydrophobicContact CG-CB 4.43Å; Y488-I492 WeakPolarHBondContact O-CA 3.34Å; Y488-I492 VanDerWaalsContact O-CB 3.27Å; Y488-I492 WeakPolarHBondContact O-CB 3.43Å; Y488-I492 PolarHBondContact O-N 3.06Å; I492-P494 VanDerWaalsContact C-CD 3.45Å
493	Y	96.1	Very high	92	Very high	8 Å²	8	45.8 Å²	45.8	3%	0.031	24%	0.24	C	C	.	.			trans	-131.8	58.4	-177.7	-161.4	-170.2	0	0	0	113.5	N330 F331 E340 P360 Y488 L489 E495 V496	N330-Y493 HydrophobicContact CB-CE1 3.89Å; N330-Y493 WeakPolarHBondContact CB-OH 3.37Å; F331-Y493 HydrophobicContact CD1-CD1 4.23Å; F331-Y493 HydrophobicContact CD1-CE1 4.2Å; F331-Y493 AromaticContact CE1-CD1 3.82Å; F331-Y493 HydrophobicContact CE1-CD1 3.82Å; F331-Y493 HydrophobicContact CE1-CE1 4.13Å; E340-Y493 WeakPolarHBondContact OE1-CE2 3.4Å; E340-Y493 PolarHBondContact OE1-OH 2.02Å; E340-Y493 PolarHBondContact OE2-OH 3.23Å; P360-Y493 HydrophobicContact CB-CD1 3.73Å; P360-Y493 HydrophobicContact CB-CD2 4.36Å; P360-Y493 HydrophobicContact CB-CE1 4.33Å; P360-Y493 HydrophobicContact CB-CG 3.76Å; P360-Y493 HydrophobicContact CG-CD1 4Å; P360-Y493 HydrophobicContact CG-CD2 3.72Å; P360-Y493 HydrophobicContact CG-CE1 4.46Å; P360-Y493 HydrophobicContact CG-CE2 4.21Å; P360-Y493 HydrophobicContact CG-CG 3.61Å; Y488-Y493 PolarHBondContact O-N 2.9Å; L489-Y493 CarbonylContact O-C 3.57Å; L489-Y493 VanDerWaalsContact O-O 3.13Å; Y493-E495 HydrophobicContact CD2-CB 4.48Å; Y493-E495 HydrophobicContact CE2-CB 4.35Å; Y493-E495 PolarHBondContact O-N 2.84Å; Y493-V496 HydrophobicContact CD1-CB 3.68Å; Y493-V496 HydrophobicContact CD1-CG1 4.21Å; Y493-V496 HydrophobicContact CD1-CG2 4.03Å; Y493-V496 HydrophobicContact CD2-CB 4Å; Y493-V496 HydrophobicContact CE1-CB 3.64Å; Y493-V496 HydrophobicContact CE1-CG2 3.63Å; Y493-V496 HydrophobicContact CE2-CB 3.97Å; Y493-V496 HydrophobicContact CG-CB 3.85Å; Y493-V496 HydrophobicContact CG-CG1 4.27Å; Y493-V496 WeakPolarHBondContact O-CG1 3.14Å; Y493-V496 PolarHBondContact O-N 3.16Å
494	P	91.6	Very high	91.5	Very high	63 Å²	63	46.3 Å²	46.3	41%	0.409	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13	-176.1	29.9	-36.1	0	0	0	113.7	L489 I492 V496	L489-P494 WeakPolarHBondContact O-CA 3.49Å; I492-P494 VanDerWaalsContact C-CD 3.45Å; P494-V496 VanDerWaalsContact C-N 3.33Å
495	E	87.9	Confident	91	Very high	71 Å²	71	44.9 Å²	44.9	33%	0.332	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-12.9	176.8	-54.8	80.2	-165.5	0	0	113.3	R328 P343 H345 Y493 Y497	R328-E495 IonicContact CZ-OE2 3.2Å; R328-E495 IonicContact NH1-OE2 2.95Å; R328-E495 PolarHBondContact NH1-OE2 3.49Å; R328-E495 IonicContact NH2-OE2 2.66Å; R328-E495 PolarHBondContact NH2-OE2 2.91Å; P343-E495 HydrophobicContact CB-CG 4.08Å; H345-E495 IonicContact CD2-OE1 3.5Å; H345-E495 PolarHBondContact CD2-OE1 3.3Å; H345-E495 IonicContact CE1-OE1 3.72Å; H345-E495 IonicContact NE2-OE1 2.7Å; H345-E495 PolarHBondContact NE2-OE1 3.03Å; Y493-E495 HydrophobicContact CD2-CB 4.48Å; Y493-E495 HydrophobicContact CE2-CB 4.35Å; Y493-E495 PolarHBondContact O-N 2.84Å; E495-Y497 PolarHBondContact O-N 3.28Å
496	V	88.4	Confident	90.6	Very high	16 Å²	16	45.8 Å²	45.8	10%	0.097	25%	0.247	C	C	.	.	S	Bend	trans	-68	132.7	178.4	77.4	0	0	0	0	109.5	L489 Y493 P494 V498	L489-V496 HydrophobicContact CD2-CG1 3.62Å; Y493-V496 HydrophobicContact CD1-CB 3.68Å; Y493-V496 HydrophobicContact CD1-CG1 4.21Å; Y493-V496 HydrophobicContact CD1-CG2 4.03Å; Y493-V496 HydrophobicContact CD2-CB 4Å; Y493-V496 HydrophobicContact CE1-CB 3.64Å; Y493-V496 HydrophobicContact CE1-CG2 3.63Å; Y493-V496 HydrophobicContact CE2-CB 3.97Å; Y493-V496 HydrophobicContact CG-CB 3.85Å; Y493-V496 HydrophobicContact CG-CG1 4.27Å; Y493-V496 WeakPolarHBondContact O-CG1 3.14Å; Y493-V496 PolarHBondContact O-N 3.16Å; P494-V496 VanDerWaalsContact C-N 3.33Å; V496-V498 HydrophobicContact CG1-CG2 3.94Å
497	Y	84.4	Confident	90.2	Very high	11 Å²	11	44.1 Å²	44.1	4%	0.043	24%	0.238	C	C	.	.			trans	-73.6	132.5	165.9	161.1	-99.4	0	0	0	108.8	W333 E495 P499 R553 E559	W333-Y497 PolarHBondContact NE1-O 3.4Å; E495-Y497 PolarHBondContact O-N 3.28Å; Y497-P499 HydrophobicContact CD1-CG 4.22Å; Y497-P499 HydrophobicContact CE1-CB 4.18Å; Y497-P499 HydrophobicContact CE1-CG 3.68Å; Y497-R553 VanDerWaalsContact CE2-NH1 3.25Å; Y497-R553 VanDerWaalsContact OH-CD 3.31Å; Y497-R553 WeakPolarHBondContact OH-CD 3.4Å; Y497-R553 VanDerWaalsContact OH-CZ 3.32Å; Y497-R553 PolarHBondContact OH-NE 3.07Å; Y497-R553 PolarHBondContact OH-NH1 2.99Å; Y497-E559 VanDerWaalsContact CB-OE1 3.28Å; Y497-E559 WeakPolarHBondContact CB-OE1 3.2Å; Y497-E559 WeakPolarHBondContact CB-OE2 3.43Å; Y497-E559 HydrophobicContact CD1-CG 3.36Å; Y497-E559 WeakPolarHBondContact CD1-OE1 3.26Å; Y497-E559 WeakPolarHBondContact CD1-OE2 3.4Å; Y497-E559 HydrophobicContact CE1-CG 3.79Å; Y497-E559 VanDerWaalsContact CG-CD 3.41Å; Y497-E559 HydrophobicContact CG-CG 4.1Å
498	V	86.8	Confident	89.9	Confident	49 Å²	49	43.2 Å²	43.2	30%	0.297	24%	0.235	S	C	.	.			trans	-109.3	111.6	178.7	-174.2	0	0	0	0	107.9	W333 Y447 I450 L489 V496	W333-V498 HydrophobicContact CH2-CG1 4.05Å; W333-V498 HydrophobicContact CZ2-CB 4.14Å; W333-V498 HydrophobicContact CZ2-CG1 3.93Å; W333-V498 HydrophobicContact CZ2-CG2 4.06Å; Y447-V498 HydrophobicContact CD1-CG1 3.85Å; Y447-V498 HydrophobicContact CE1-CG1 3.72Å; I450-V498 HydrophobicContact CD1-CG1 4.15Å; L489-V498 HydrophobicContact CD1-CG1 4.39Å; L489-V498 HydrophobicContact CD1-CG2 4.04Å; L489-V498 HydrophobicContact CD2-CG2 4.45Å; V496-V498 HydrophobicContact CG1-CG2 3.94Å
499	P	84.6	Confident	89.7	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.019	24%	0.235	C	C	.	.			trans	-56.7	156.6	171.2	-22.3	29.8	0	0	0	112	W333 I450 Y497 L501	W333-P499 HydrophobicContact CD2-CG 4.32Å; W333-P499 HydrophobicContact CG-CG 4.03Å; I450-P499 HydrophobicContact CD1-CB 4.32Å; I450-P499 VanDerWaalsContact CD1-O 3.3Å; I450-P499 WeakPolarHBondContact CD1-O 3.45Å; I450-P499 HydrophobicContact CG2-CB 3.9Å; I450-P499 HydrophobicContact CG2-CG 3.67Å; Y497-P499 HydrophobicContact CD1-CG 4.22Å; Y497-P499 HydrophobicContact CE1-CB 4.18Å; Y497-P499 HydrophobicContact CE1-CG 3.68Å; P499-L501 PolarHBondContact O-N 3.36Å
500	D	83.4	Confident	89.7	Confident	42 Å²	42	46.9 Å²	46.9	23%	0.225	25%	0.251	C	S	.	.			trans	-59.7	126	175.8	-68.7	-24.7	0	0	0	109.9	R453 N502 P503 A548	R453-D500 PolarHBondContact NH1-O 3.22Å; D500-N502 PolarHBondContact O-N 3.1Å; D500-P503 HydrophobicContact CB-CB 4.27Å; D500-A548 PolarHBondContact OD2-N 3.2Å
501	L	85.1	Confident	89.7	Confident	48 Å²	48	42.3 Å²	42.3	25%	0.251	23%	0.226	S	C	.	.	S	Bend	trans	-54.7	-42.1	173.2	-73.6	171.5	0	0	0	110.4	E446 Y447 I450 R453 P499	E446-L501 HydrophobicContact CB-CD2 4.38Å; E446-L501 HydrophobicContact CG-CD1 3.65Å; E446-L501 HydrophobicContact CG-CD2 3.95Å; E446-L501 HydrophobicContact CG-CG 4.48Å; E446-L501 WeakPolarHBondContact O-CD2 3.37Å; Y447-L501 HydrophobicContact CD1-CD2 3.72Å; Y447-L501 HydrophobicContact CD1-CG 4.43Å; Y447-L501 HydrophobicContact CE1-CD1 4.49Å; Y447-L501 HydrophobicContact CE1-CD2 4.19Å; Y447-L501 HydrophobicContact CE1-CG 4.46Å; Y447-L501 HydrophobicContact CG-CD2 4.05Å; I450-L501 HydrophobicContact CD1-CD2 4.02Å; I450-L501 HydrophobicContact CG1-CD2 4.18Å; R453-L501 PolarHBondContact NH2-O 2.95Å; P499-L501 PolarHBondContact O-N 3.36Å
502	N	84.2	Confident	89.6	Confident	144 Å²	144	40.9 Å²	40.9	77%	0.77	22%	0.221	S	C	*	.	S	Bend	trans	-127.6	85.6	176.3	-58.3	-66.1	0	0	0	108.2	D500	D500-N502 PolarHBondContact O-N 3.1Å
503	P	83.4	Confident	89.4	Confident	20 Å²	20	41.2 Å²	41.2	13%	0.13	23%	0.231	C	C	.	.			trans	-62.8	154.3	177.1	30.8	-35.8	0	0	0	108.6	R453 D500 I505 E545	R453-P503 VanDerWaalsContact NH1-CG 3.31Å; D500-P503 HydrophobicContact CB-CB 4.27Å; P503-I505 VanDerWaalsContact C-N 3.27Å; P503-I505 PolarHBondContact O-N 3.33Å; P503-E545 HydrophobicContact CB-CB 4.48Å
504	V	87.4	Confident	89.2	Confident	87 Å²	87	43.1 Å²	43.1	53%	0.527	24%	0.24	S	C	.	.	S	Bend	trans	-58.6	-46.7	-178.9	-176.4	0	0	0	0	109.6	Y546	V504-Y546 HydrophobicContact CB-CD1 3.93Å; V504-Y546 HydrophobicContact CG1-CD1 4.05Å; V504-Y546 HydrophobicContact CG1-CE1 4.49Å; V504-Y546 HydrophobicContact CG2-CD1 4.45Å; V504-Y546 PolarHBondContact N-O 3.16Å
505	I	89	Confident	89.2	Confident	49 Å²	49	45.1 Å²	45.1	25%	0.251	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.9	173.2	-54.6	175.9	0	0	0	108.1	P503 Y546 I591 F629	P503-I505 VanDerWaalsContact C-N 3.27Å; P503-I505 PolarHBondContact O-N 3.33Å; I505-Y546 PolarHBondContact O-N 3.39Å; I505-I591 HydrophobicContact CD1-CD1 4.42Å; I505-F629 HydrophobicContact CG2-CB 4.15Å; I505-F629 HydrophobicContact CG2-CD1 4.49Å; I505-F629 HydrophobicContact CG2-CD2 3.6Å; I505-F629 HydrophobicContact CG2-CE2 4.12Å; I505-F629 HydrophobicContact CG2-CG 3.82Å
506	S	89.3	Confident	89.6	Confident	19 Å²	19	43.9 Å²	43.9	13%	0.133	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	146.8	170.5	62.1	0	0	0	0	110.7	F544 Q631	S506-F544 CarbonylContact C-O 3.6Å; S506-F544 WeakPolarHBondContact CA-O 3.13Å; S506-Q631 WeakPolarHBondContact O-CA 3.38Å; S506-Q631 WeakPolarHBondContact O-CG 3.43Å
507	G	89.1	Confident	89.9	Confident	2 Å²	2	43.1 Å²	43.1	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.3	-131.2	178	0	0	0	0	0	111	Y543 F544 S630	G507-Y543 WeakPolarHBondContact O-CA 3.18Å; G507-F544 PolarHBondContact N-O 3.3Å; G507-F544 PolarHBondContact O-N 3.3Å; G507-S630 CarbonylContact C-O 3.59Å; G507-S630 VanDerWaalsContact CA-O 3.27Å; G507-S630 WeakPolarHBondContact CA-O 3.49Å
508	Y	91.9	Very high	90.5	Very high	52 Å²	52	42.6 Å²	42.6	20%	0.204	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	155.6	179.8	60.9	-89.2	0	0	0	112.3	K510 C517 Q542 F629 S630 N632	Y508-K510 HydrophobicContact CD2-CB 4.07Å; Y508-K510 HydrophobicContact CE2-CB 4.07Å; Y508-C517 VanDerWaalsContact CD2-SG 3.53Å; Y508-Q542 WeakPolarHBondContact CA-O 3.33Å; Y508-F629 WeakPolarHBondContact O-CD2 3.24Å; Y508-S630 PolarHBondContact N-O 2.9Å; Y508-S630 PolarHBondContact O-N 3.16Å; Y508-N632 WeakPolarHBondContact CD1-OD1 3.48Å
509	I	95.7	Very high	90.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	106.6	179.3	-56.8	176.5	0	0	0	108.1	C517 L518 F544 I552 L597 W627 F629	I509-C517 CarbonylContact O-C 3.55Å; I509-C517 WeakPolarHBondContact O-CA 3.18Å; I509-L518 HydrophobicContact CB-CB 4.06Å; I509-L518 HydrophobicContact CB-CD2 4.5Å; I509-L518 HydrophobicContact CD1-CD2 4.09Å; I509-L518 HydrophobicContact CG2-CB 4.44Å; I509-L518 PolarHBondContact O-N 3.37Å; I509-F544 HydrophobicContact CD1-CB 3.81Å; I509-F544 HydrophobicContact CD1-CD1 4.4Å; I509-F544 HydrophobicContact CD1-CD2 4.03Å; I509-F544 HydrophobicContact CD1-CG 3.82Å; I509-F544 HydrophobicContact CG1-CB 4.17Å; I509-F544 HydrophobicContact CG1-CD2 4.13Å; I509-F544 HydrophobicContact CG1-CG 4.3Å; I509-I552 HydrophobicContact CD1-CG2 3.7Å; I509-L597 HydrophobicContact CG2-CD1 4.01Å; I509-W627 HydrophobicContact CG2-CB 4.1Å; I509-W627 HydrophobicContact CG2-CD2 4.12Å; I509-W627 HydrophobicContact CG2-CE3 3.6Å; I509-W627 HydrophobicContact CG2-CG 4.37Å; I509-W627 HydrophobicContact CG2-CZ3 4.27Å; I509-F629 HydrophobicContact CD1-CD1 4.07Å; I509-F629 HydrophobicContact CD1-CE1 3.64Å; I509-F629 HydrophobicContact CD1-CE2 4.49Å; I509-F629 HydrophobicContact CD1-CZ 3.89Å; I509-F629 HydrophobicContact CG1-CD1 3.85Å; I509-F629 HydrophobicContact CG1-CD2 3.97Å; I509-F629 HydrophobicContact CG1-CE1 3.75Å; I509-F629 HydrophobicContact CG1-CE2 3.86Å; I509-F629 HydrophobicContact CG1-CG 3.96Å; I509-F629 HydrophobicContact CG1-CZ 3.76Å
510	K	95.9	Very high	91.2	Very high	80 Å²	80	40.6 Å²	40.6	35%	0.348	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.3	-176.3	179.9	176.8	179	-177.6	0	111.3	Y508 W627 I628	Y508-K510 HydrophobicContact CD2-CB 4.07Å; Y508-K510 HydrophobicContact CE2-CB 4.07Å; K510-W627 CarbonylContact O-C 3.52Å; K510-W627 WeakPolarHBondContact O-CA 3.22Å; K510-I628 PolarHBondContact N-O 3.09Å; K510-I628 PolarHBondContact O-N 3.47Å
511	S	95.7	Very high	91.5	Very high	1 Å²	1	39 Å²	39	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	143	171.2	-175.7	0	0	0	0	111.2	G513 Q514 L516 A608	S511-G513 PolarHBondContact OG-N 3.01Å; S511-Q514 CarbonylContact C-O 3.01Å; S511-L516 PolarHBondContact N-O 3.49Å; S511-A608 WeakPolarHBondContact OG-CB 3.45Å
512	V	94.9	Very high	91.5	Very high	65 Å²	65	44.6 Å²	44.6	39%	0.394	25%	0.248	S	C	.	.	S	Bend	trans	-81	-36.2	172.3	176.8	0	0	0	0	111.2	Q514 K626 I628	V512-Q514 VanDerWaalsContact C-N 3.3Å; V512-Q514 PolarHBondContact O-N 2.91Å; V512-K626 HydrophobicContact CB-CB 3.74Å; V512-K626 HydrophobicContact CG1-CB 4.45Å; V512-K626 HydrophobicContact CG2-CB 3.66Å; V512-K626 PolarHBondContact N-O 2.74Å; V512-I628 HydrophobicContact CG2-CD1 3.99Å; V512-I628 HydrophobicContact CG2-CG1 3.74Å
513	G	92.7	Very high	91.2	Very high	35 Å²	35	43.8 Å²	43.8	36%	0.361	24%	0.244	S	C	.	.	S	Bend	trans	-74	-17.4	-177.6	0	0	0	0	0	114.7	S511 P623	S511-G513 PolarHBondContact OG-N 3.01Å; G513-P623 WeakPolarHBondContact CA-O 3.15Å; G513-P623 PolarHBondContact N-O 2.72Å
514	Q	92.4	Very high	91.2	Very high	47 Å²	47	43.3 Å²	43.3	22%	0.22	24%	0.24	C	C	.	.	S	Bend	trans	-148.5	150.1	177	59.6	-172.9	6.8	0	0	111.3	S511 V512 L516 A608 L624	S511-Q514 CarbonylContact C-O 3.01Å; V512-Q514 VanDerWaalsContact C-N 3.3Å; V512-Q514 PolarHBondContact O-N 2.91Å; Q514-L516 HydrophobicContact CG-CB 4.17Å; Q514-L516 HydrophobicContact CG-CD1 4.36Å; Q514-L516 HydrophobicContact CG-CG 4.3Å; Q514-L516 PolarHBondContact O-N 2.97Å; Q514-A608 PolarHBondContact NE2-O 3.4Å; Q514-L624 HydrophobicContact CG-CD2 4.28Å
515	P	91.6	Very high	90.8	Very high	105 Å²	105	43.1 Å²	43.1	68%	0.682	23%	0.233	S	C	*	.	S	Bend	trans	-77.5	41.2	-176.5	35	-37.9	0	0	0	112.9
516	L	95.8	Very high	90.5	Very high	45 Å²	45	42.2 Å²	42.2	24%	0.236	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	153.2	-177.4	-56.1	178.1	0	0	0	110.6	S511 Q514 M532 Y533	S511-L516 PolarHBondContact N-O 3.49Å; Q514-L516 HydrophobicContact CG-CB 4.17Å; Q514-L516 HydrophobicContact CG-CD1 4.36Å; Q514-L516 HydrophobicContact CG-CG 4.3Å; Q514-L516 PolarHBondContact O-N 2.97Å; L516-M532 HydrophobicContact CB-CB 4.1Å; L516-M532 HydrophobicContact CB-CE 3.73Å; L516-M532 HydrophobicContact CD1-CB 3.82Å; L516-Y533 CarbonylContact C-O 3.58Å; L516-Y533 VanDerWaalsContact CA-O 3.3Å; L516-Y533 WeakPolarHBondContact CA-O 3.44Å; L516-Y533 WeakPolarHBondContact CB-O 3.13Å
517	C	95.5	Very high	90.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	151.4	176.8	-78.3	0	0	0	0	110.2	Y508 I509 D519 Y533 C535	Y508-C517 VanDerWaalsContact CD2-SG 3.53Å; I509-C517 CarbonylContact O-C 3.55Å; I509-C517 WeakPolarHBondContact O-CA 3.18Å; C517-D519 PolarHBondContact O-N 2.56Å; C517-Y533 PolarHBondContact N-O 3Å; C517-Y533 PolarHBondContact O-N 3.36Å; C517-C535 VanDerWaalsContact CA-SG 3.6Å; C517-C535 HydrophobicContact CB-CB 4.02Å; C517-C535 WeakPolarHBondContact CB-SG 3.48Å; C517-C535 PolarHBondContact N-SG 3.48Å; C517-C535 WeakPolarHBondContact SG-CB 3.37Å; C517-C535 CovalentContact SG-SG 2.04Å; C517-C535 PolarHBondContact SG-SG 2.61Å
518	L	95.9	Very high	90.2	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	130.7	167.1	-170.4	65.4	0	0	0	108.5	I509 L530 M532 F544 L562 P613 W627	I509-L518 HydrophobicContact CB-CB 4.06Å; I509-L518 HydrophobicContact CB-CD2 4.5Å; I509-L518 HydrophobicContact CD1-CD2 4.09Å; I509-L518 HydrophobicContact CG2-CB 4.44Å; I509-L518 PolarHBondContact O-N 3.37Å; L518-L530 HydrophobicContact CD1-CB 4.03Å; L518-L530 HydrophobicContact CD1-CD2 3.73Å; L518-L530 HydrophobicContact CD2-CD2 3.85Å; L518-L530 HydrophobicContact CG-CD2 3.7Å; L518-M532 HydrophobicContact CD1-SD 4.5Å; L518-F544 HydrophobicContact CB-CE2 4.08Å; L518-F544 HydrophobicContact CB-CZ 4.42Å; L518-F544 HydrophobicContact CD2-CE1 4.08Å; L518-F544 HydrophobicContact CD2-CE2 4.02Å; L518-F544 HydrophobicContact CD2-CZ 3.73Å; L518-F544 HydrophobicContact CG-CE2 4Å; L518-F544 HydrophobicContact CG-CZ 3.83Å; L518-F544 WeakPolarHBondContact O-CE2 3.48Å; L518-L562 HydrophobicContact CD2-CD1 4.42Å; L518-P613 HydrophobicContact CD1-CB 4.15Å; L518-P613 HydrophobicContact CD1-CG 3.51Å; L518-W627 HydrophobicContact CB-CZ3 4.35Å
519	D	94.5	Very high	90.2	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.032	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.7	-175.8	-166.1	-56.1	0	0	0	109.3	C517 G521 L530 I531 H536 N541 Q542	C517-D519 PolarHBondContact O-N 2.56Å; D519-G521 PolarHBondContact O-N 2.71Å; D519-G521 PolarHBondContact OD1-N 3.16Å; D519-L530 WeakPolarHBondContact O-CB 3.38Å; D519-I531 HydrophobicContact CB-CG1 3.9Å; D519-I531 PolarHBondContact N-O 2.9Å; D519-I531 PolarHBondContact O-N 3.3Å; D519-H536 IonicContact OD2-NE2 2.96Å; D519-N541 WeakPolarHBondContact OD1-CB 3.13Å; D519-Q542 HydrophobicContact CB-CG 4.1Å; D519-Q542 WeakPolarHBondContact OD2-CG 3.41Å; D519-Q542 PolarHBondContact OD2-NE2 3.27Å
520	V	92.5	Very high	90.1	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.024	28%	0.275	C	S	.	.			trans	-72.4	-16.5	-178.3	-55.3	0	0	0	0	112.9	N524 N541 F544 H554 L571	V520-N524 HydrophobicContact CB-CB 4.24Å; V520-N524 WeakPolarHBondContact O-CB 3.41Å; V520-N524 PolarHBondContact O-ND2 3.25Å; V520-N541 HydrophobicContact CG2-CB 3.74Å; V520-N541 PolarHBondContact N-O 2.82Å; V520-N541 VanDerWaalsContact N-O 3.15Å; V520-F544 HydrophobicContact CG1-CE1 4.16Å; V520-F544 HydrophobicContact CG1-CZ 3.79Å; V520-H554 HydrophobicContact CG1-CB 4.21Å; V520-L571 HydrophobicContact CB-CD1 3.93Å; V520-L571 HydrophobicContact CG1-CD1 3.41Å; V520-L571 VanDerWaalsContact CG1-CD1 3.41Å
521	G	89.9	Confident	90.1	Very high	9 Å²	9	46 Å²	46	9%	0.093	27%	0.27	C	S	.	.			trans	74.6	176.1	-176.2	0	0	0	0	0	113.3	D519	D519-G521 PolarHBondContact O-N 2.71Å; D519-G521 PolarHBondContact OD1-N 3.16Å
522	E	84.1	Confident	90.1	Very high	165 Å²	165	47 Å²	47	77%	0.771	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	134.1	-177.7	-65.6	-174.2	176.5	0	0	112.4	N524	E522-N524 VanDerWaalsContact C-N 3.29Å; E522-N524 PolarHBondContact O-N 3.32Å
523	N	78.2	Confident	90.1	Very high	126 Å²	126	49.9 Å²	49.9	67%	0.674	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	40.6	173.8	-61.7	-47.4	0	0	0	113.6	Q525 K528	N523-Q525 PolarHBondContact O-N 3.17Å; N523-K528 PolarHBondContact O-NZ 3.24Å
524	N	82.4	Confident	90.2	Very high	11 Å²	11	52.5 Å²	52.5	6%	0.059	29%	0.288	C	S	.	.			trans	-85.8	96.2	174.1	-164.7	-17.4	0	0	0	111.1	V520 E522 G526 K528	V520-N524 HydrophobicContact CB-CB 4.24Å; V520-N524 WeakPolarHBondContact O-CB 3.41Å; V520-N524 PolarHBondContact O-ND2 3.25Å; E522-N524 VanDerWaalsContact C-N 3.29Å; E522-N524 PolarHBondContact O-N 3.32Å; N524-G526 VanDerWaalsContact C-N 3.33Å; N524-G526 PolarHBondContact OD1-N 3.07Å; N524-K528 PolarHBondContact ND2-O 3.36Å
525	Q	79.2	Confident	90.1	Very high	82 Å²	82	52.2 Å²	52.2	38%	0.383	29%	0.291	S	S	.	.			trans	-96.3	14.5	179.9	-67.6	-66.7	-25.3	0	0	112.6	N523 K558	N523-Q525 PolarHBondContact O-N 3.17Å; Q525-K558 VanDerWaalsContact OE1-CD 3.24Å; Q525-K558 VanDerWaalsContact OE1-NZ 3.11Å
526	G	83.8	Confident	89.9	Confident	31 Å²	31	50.6 Å²	50.6	32%	0.32	27%	0.274	S	S	.	.	S	Bend	trans	103.7	146.5	-168.7	0	0	0	0	0	112.6	N524 K528 L571	N524-G526 VanDerWaalsContact C-N 3.33Å; N524-G526 PolarHBondContact OD1-N 3.07Å; G526-K528 VanDerWaalsContact C-N 3.34Å; G526-K528 PolarHBondContact O-N 3.3Å; G526-L571 CarbonylContact C-O 3.55Å; G526-L571 VanDerWaalsContact CA-O 3.3Å; G526-L571 WeakPolarHBondContact CA-O 3.45Å
527	G	83.4	Confident	89.2	Confident	46 Å²	46	50.3 Å²	50.3	47%	0.474	28%	0.283	S	S	.	.	S	Bend	trans	84.7	-6.8	176.7	0	0	0	0	0	115.8	L571	G527-L571 PolarHBondContact N-O 3.41Å
528	K	88.6	Confident	88.4	Confident	100 Å²	100	56.5 Å²	56.5	44%	0.435	32%	0.315	S	S	.	.	S	Bend	trans	-95.9	148.7	173.5	-65.4	-178.8	-178.8	172.5	0	111.3	N523 N524 G526	N523-K528 PolarHBondContact O-NZ 3.24Å; N524-K528 PolarHBondContact ND2-O 3.36Å; G526-K528 VanDerWaalsContact C-N 3.34Å; G526-K528 PolarHBondContact O-N 3.3Å
529	P	90.5	Very high	87.7	Confident	41 Å²	41	56.7 Å²	56.7	27%	0.266	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-65.4	154.1	171.5	30.1	-34.8	0	0	0	110.8	L568 H612	P529-L568 HydrophobicContact CB-CB 4.3Å; P529-L568 HydrophobicContact CB-CD1 3.99Å; P529-L568 HydrophobicContact CG-CD1 4.41Å; P529-H612 HydrophobicContact CB-CB 4.32Å
530	L	94.6	Very high	87.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-80.2	167.3	171.5	-67.8	81.9	0	0	0	110	L518 D519 F544 L562 V569 L571 H612 P613	L518-L530 HydrophobicContact CD1-CB 4.03Å; L518-L530 HydrophobicContact CD1-CD2 3.73Å; L518-L530 HydrophobicContact CD2-CD2 3.85Å; L518-L530 HydrophobicContact CG-CD2 3.7Å; D519-L530 WeakPolarHBondContact O-CB 3.38Å; L530-F544 HydrophobicContact CD2-CE1 4.2Å; L530-F544 HydrophobicContact CD2-CZ 3.99Å; L530-L562 HydrophobicContact CD1-CD1 3.86Å; L530-L562 HydrophobicContact CD2-CD1 3.64Å; L530-L562 HydrophobicContact CG-CD1 4.44Å; L530-V569 HydrophobicContact CD1-CG1 4.37Å; L530-V569 WeakPolarHBondContact CD1-O 3.26Å; L530-L571 HydrophobicContact CD1-CG 4.05Å; L530-L571 HydrophobicContact CD2-CG 4.42Å; L530-L571 HydrophobicContact CG-CG 4.39Å; L530-H612 PolarHBondContact O-ND1 3.41Å; L530-P613 HydrophobicContact CB-CG 4.32Å; L530-P613 WeakPolarHBondContact O-CD 3.46Å
531	I	95.4	Very high	86.9	Confident	45 Å²	45	61.2 Å²	61.2	23%	0.231	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	166	175.1	67.2	177.1	0	0	0	110.4	D519 Y533	D519-I531 HydrophobicContact CB-CG1 3.9Å; D519-I531 PolarHBondContact N-O 2.9Å; D519-I531 PolarHBondContact O-N 3.3Å; I531-Y533 HydrophobicContact CD1-CD2 4.26Å
532	M	95.5	Very high	87	Confident	22 Å²	22	60.8 Å²	60.8	11%	0.108	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.4	165	-63.4	-58.4	-53.2	0	0	108.9	L516 L518 A608 P613 W627	L516-M532 HydrophobicContact CB-CB 4.1Å; L516-M532 HydrophobicContact CB-CE 3.73Å; L516-M532 HydrophobicContact CD1-CB 3.82Å; L518-M532 HydrophobicContact CD1-SD 4.5Å; M532-A608 HydrophobicContact CE-CB 4.11Å; M532-A608 HydrophobicContact SD-CB 4.08Å; M532-P613 HydrophobicContact CG-CG 4.23Å; M532-P613 HydrophobicContact SD-CG 3.79Å; M532-W627 HydrophobicContact CE-CH2 3.94Å; M532-W627 HydrophobicContact CE-CZ3 3.85Å; M532-W627 HydrophobicContact SD-CH2 3.69Å; M532-W627 HydrophobicContact SD-CZ3 4.11Å
533	Y	95.1	Very high	87.3	Confident	127 Å²	127	53.3 Å²	53.3	50%	0.498	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	162.7	-177.7	-159.3	-99.9	0	0	0	112.2	L516 C517 I531 C535	L516-Y533 CarbonylContact C-O 3.58Å; L516-Y533 VanDerWaalsContact CA-O 3.3Å; L516-Y533 WeakPolarHBondContact CA-O 3.44Å; L516-Y533 WeakPolarHBondContact CB-O 3.13Å; C517-Y533 PolarHBondContact N-O 3Å; C517-Y533 PolarHBondContact O-N 3.36Å; I531-Y533 HydrophobicContact CD1-CD2 4.26Å; Y533-C535 PolarHBondContact O-N 2.91Å
534	T	94.9	Very high	87.9	Confident	89 Å²	89	47.3 Å²	47.3	55%	0.546	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	126.2	176.2	-55.7	0	0	0	0	110.1	H536 Q542	T534-H536 PolarHBondContact O-N 3.11Å; T534-H536 VanDerWaalsContact O-N 3.1Å; T534-Q542 PolarHBondContact O-NE2 3.5Å
535	C	91.6	Very high	88.4	Confident	41 Å²	41	46.9 Å²	46.9	28%	0.277	28%	0.277	S	S	.	.			trans	-62.1	113.1	177.1	-63	0	0	0	0	110.1	C517 Y533	C517-C535 VanDerWaalsContact CA-SG 3.6Å; C517-C535 HydrophobicContact CB-CB 4.02Å; C517-C535 WeakPolarHBondContact CB-SG 3.48Å; C517-C535 PolarHBondContact N-SG 3.48Å; C517-C535 WeakPolarHBondContact SG-CB 3.37Å; C517-C535 CovalentContact SG-SG 2.04Å; C517-C535 PolarHBondContact SG-SG 2.61Å; Y533-C535 PolarHBondContact O-N 2.91Å
536	H	86.6	Confident	89	Confident	71 Å²	71	43.9 Å²	43.9	33%	0.329	26%	0.262	S	S	.	.			trans	-107.3	-13.9	-176.5	56.5	69.7	0	0	0	113.6	D519 T534 L538 G539 Q542	D519-H536 IonicContact OD2-NE2 2.96Å; T534-H536 PolarHBondContact O-N 3.11Å; T534-H536 VanDerWaalsContact O-N 3.1Å; H536-L538 HydrophobicContact CB-CD1 4.31Å; H536-L538 HydrophobicContact CB-CG 4.18Å; H536-L538 VanDerWaalsContact ND1-CB 3.27Å; H536-L538 WeakPolarHBondContact ND1-CB 3.18Å; H536-L538 WeakPolarHBondContact ND1-CG 3.32Å; H536-L538 PolarHBondContact ND1-N 3.22Å; H536-L538 VanDerWaalsContact ND1-N 3.11Å; H536-L538 WeakPolarHBondContact O-CG 2.99Å; H536-L538 PolarHBondContact O-N 2.99Å; H536-G539 PolarHBondContact CE1-O 3.08Å; H536-Q542 PolarHBondContact CD2-NE2 3.37Å; H536-Q542 PolarHBondContact CD2-OE1 3.48Å; H536-Q542 VanDerWaalsContact N-OE1 3.08Å; H536-Q542 WeakPolarHBondContact NE2-CG 3.46Å; H536-Q542 PolarHBondContact NE2-NE2 2.82Å; H536-Q542 PolarHBondContact NE2-OE1 2.78Å
537	G	80.9	Confident	89.3	Confident	40 Å²	40	42.5 Å²	42.5	41%	0.412	25%	0.248	S	C	.	.	S	Bend	trans	66.6	16.7	176.1	0	0	0	0	0	114.5
538	L	78.1	Confident	89.5	Confident	129 Å²	129	43.1 Å²	43.1	68%	0.675	25%	0.248	S	C	*	.			trans	-94.6	4	-176.9	-51.9	174.8	0	0	0	112.7	H536 G540	H536-L538 HydrophobicContact CB-CD1 4.31Å; H536-L538 HydrophobicContact CB-CG 4.18Å; H536-L538 VanDerWaalsContact ND1-CB 3.27Å; H536-L538 WeakPolarHBondContact ND1-CB 3.18Å; H536-L538 WeakPolarHBondContact ND1-CG 3.32Å; H536-L538 PolarHBondContact ND1-N 3.22Å; H536-L538 VanDerWaalsContact ND1-N 3.11Å; H536-L538 WeakPolarHBondContact O-CG 2.99Å; H536-L538 PolarHBondContact O-N 2.99Å; L538-G540 PolarHBondContact O-N 3.34Å
539	G	82.2	Confident	89.6	Confident	6 Å²	6	41.3 Å²	41.3	6%	0.062	24%	0.241	C	C	.	.			trans	65.1	-123.4	-168.7	0	0	0	0	0	111.1	H536 N541 Q542	H536-G539 PolarHBondContact CE1-O 3.08Å; G539-N541 PolarHBondContact O-N 3.35Å; G539-Q542 PolarHBondContact O-N 3Å
540	G	82.4	Confident	89.7	Confident	39 Å²	39	43.2 Å²	43.2	40%	0.402	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	53.8	-120.7	177.8	0	0	0	0	0	111.8	L538 Q542 Y543 H554	L538-G540 PolarHBondContact O-N 3.34Å; G540-Q542 PolarHBondContact O-N 3.48Å; G540-Y543 VanDerWaalsContact O-CB 3.24Å; G540-Y543 WeakPolarHBondContact O-CB 3.48Å; G540-Y543 PolarHBondContact O-N 2.79Å; G540-Y543 VanDerWaalsContact O-N 3.08Å; G540-H554 PolarHBondContact O-CE1 3.11Å; G540-H554 VanDerWaalsContact O-CE1 3.31Å
541	N	88.6	Confident	89.7	Confident	65 Å²	65	43.2 Å²	43.2	35%	0.348	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-63.9	-19.5	179.6	-70	-1.7	0	0	0	114.6	D519 V520 G539	D519-N541 WeakPolarHBondContact OD1-CB 3.13Å; V520-N541 HydrophobicContact CG2-CB 3.74Å; V520-N541 PolarHBondContact N-O 2.82Å; V520-N541 VanDerWaalsContact N-O 3.15Å; G539-N541 PolarHBondContact O-N 3.35Å
542	Q	91.4	Very high	89.7	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-98.9	6.7	177.6	-65.8	-176.6	-1.2	0	0	112.7	Y508 D519 T534 H536 G539 G540 F544	Y508-Q542 WeakPolarHBondContact CA-O 3.33Å; D519-Q542 HydrophobicContact CB-CG 4.1Å; D519-Q542 WeakPolarHBondContact OD2-CG 3.41Å; D519-Q542 PolarHBondContact OD2-NE2 3.27Å; T534-Q542 PolarHBondContact O-NE2 3.5Å; H536-Q542 PolarHBondContact CD2-NE2 3.37Å; H536-Q542 PolarHBondContact CD2-OE1 3.48Å; H536-Q542 VanDerWaalsContact N-OE1 3.08Å; H536-Q542 WeakPolarHBondContact NE2-CG 3.46Å; H536-Q542 PolarHBondContact NE2-NE2 2.82Å; H536-Q542 PolarHBondContact NE2-OE1 2.78Å; G539-Q542 PolarHBondContact O-N 3Å; G540-Q542 PolarHBondContact O-N 3.48Å; Q542-F544 WeakPolarHBondContact O-CD2 3.48Å
543	Y	89	Confident	89.6	Confident	7 Å²	7	40.1 Å²	40.1	3%	0.027	23%	0.23	C	C	.	.			trans	-81.5	125.4	179	-177.2	-95.4	0	0	0	111.8	R453 G507 G540 E545 H554 I556	R453-Y543 WeakPolarHBondContact CD-OH 3.1Å; R453-Y543 HydrophobicContact CG-CE2 4.11Å; R453-Y543 WeakPolarHBondContact CG-OH 3.28Å; G507-Y543 WeakPolarHBondContact O-CA 3.18Å; G540-Y543 VanDerWaalsContact O-CB 3.24Å; G540-Y543 WeakPolarHBondContact O-CB 3.48Å; G540-Y543 PolarHBondContact O-N 2.79Å; G540-Y543 VanDerWaalsContact O-N 3.08Å; Y543-E545 HydrophobicContact CE1-CG 3.62Å; Y543-E545 WeakPolarHBondContact OH-CG 3.36Å; Y543-E545 PolarHBondContact OH-OE1 3.47Å; Y543-H554 PolarHBondContact O-ND1 3.45Å; Y543-I556 HydrophobicContact CD1-CD1 3.33Å; Y543-I556 HydrophobicContact CD1-CG1 3.95Å; Y543-I556 HydrophobicContact CE1-CD1 3.92Å; Y543-I556 HydrophobicContact CG-CD1 3.72Å; Y543-I556 HydrophobicContact CG-CG1 4.35Å
544	F	92.3	Very high	89.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148	172	-63	-86.8	0	0	0	111.4	S506 G507 I509 L518 V520 L530 Q542 I552 R553 H554 F629	S506-F544 CarbonylContact C-O 3.6Å; S506-F544 WeakPolarHBondContact CA-O 3.13Å; G507-F544 PolarHBondContact N-O 3.3Å; G507-F544 PolarHBondContact O-N 3.3Å; I509-F544 HydrophobicContact CD1-CB 3.81Å; I509-F544 HydrophobicContact CD1-CD1 4.4Å; I509-F544 HydrophobicContact CD1-CD2 4.03Å; I509-F544 HydrophobicContact CD1-CG 3.82Å; I509-F544 HydrophobicContact CG1-CB 4.17Å; I509-F544 HydrophobicContact CG1-CD2 4.13Å; I509-F544 HydrophobicContact CG1-CG 4.3Å; L518-F544 HydrophobicContact CB-CE2 4.08Å; L518-F544 HydrophobicContact CB-CZ 4.42Å; L518-F544 HydrophobicContact CD2-CE1 4.08Å; L518-F544 HydrophobicContact CD2-CE2 4.02Å; L518-F544 HydrophobicContact CD2-CZ 3.73Å; L518-F544 HydrophobicContact CG-CE2 4Å; L518-F544 HydrophobicContact CG-CZ 3.83Å; L518-F544 WeakPolarHBondContact O-CE2 3.48Å; V520-F544 HydrophobicContact CG1-CE1 4.16Å; V520-F544 HydrophobicContact CG1-CZ 3.79Å; L530-F544 HydrophobicContact CD2-CE1 4.2Å; L530-F544 HydrophobicContact CD2-CZ 3.99Å; Q542-F544 WeakPolarHBondContact O-CD2 3.48Å; F544-I552 HydrophobicContact CB-CG2 4.18Å; F544-I552 HydrophobicContact CD1-CG2 3.8Å; F544-I552 HydrophobicContact CG-CG2 4.27Å; F544-R553 CarbonylContact C-O 3.52Å; F544-R553 WeakPolarHBondContact CA-O 3.41Å; F544-H554 HydrophobicContact CD1-CB 4.07Å; F544-H554 HydrophobicContact CE1-CB 3.95Å; F544-F629 HydrophobicContact CB-CE2 4.24Å; F544-F629 HydrophobicContact CB-CZ 3.66Å; F544-F629 WeakPolarHBondContact O-CE2 3.38Å; F544-F629 WeakPolarHBondContact O-CZ 3.32Å
545	E	92	Very high	88.9	Confident	3 Å²	3	30.7 Å²	30.7	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137.9	170.2	-69.6	179.7	169.1	0	0	109.8	R453 R454 P503 Y543 I552 R553 N555	R453-E545 IonicContact NH1-OE1 3.53Å; R453-E545 PolarHBondContact NH1-OE1 3.39Å; R453-E545 VanDerWaalsContact NH1-OE1 3.14Å; R454-E545 IonicContact CZ-OE1 2.84Å; R454-E545 IonicContact NH1-OE1 3.54Å; R454-E545 PolarHBondContact NH1-OE1 2.89Å; R454-E545 VanDerWaalsContact NH2-CD 3.32Å; R454-E545 IonicContact NH2-OE1 3.46Å; R454-E545 PolarHBondContact NH2-OE1 2.88Å; R454-E545 IonicContact NH2-OE2 3.48Å; R454-E545 PolarHBondContact NH2-OE2 2.75Å; R454-E545 VanDerWaalsContact NH2-OE2 3.13Å; P503-E545 HydrophobicContact CB-CB 4.48Å; Y543-E545 HydrophobicContact CE1-CG 3.62Å; Y543-E545 WeakPolarHBondContact OH-CG 3.36Å; Y543-E545 PolarHBondContact OH-OE1 3.47Å; E545-I552 CarbonylContact O-C 3.59Å; E545-I552 WeakPolarHBondContact O-CA 3.49Å; E545-R553 HydrophobicContact CB-CB 4.38Å; E545-R553 PolarHBondContact N-O 3.15Å; E545-R553 PolarHBondContact O-N 2.79Å; E545-N555 PolarHBondContact OE2-ND2 3.48Å; E545-N555 PolarHBondContact OE2-OD1 2.92Å
546	Y	92.9	Very high	88.1	Confident	19 Å²	19	30.1 Å²	30.1	8%	0.075	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	113.4	167.4	-171.9	-115.6	0	0	0	109.3	V504 I505 H550 E551 I552 W589 I591	V504-Y546 HydrophobicContact CB-CD1 3.93Å; V504-Y546 HydrophobicContact CG1-CD1 4.05Å; V504-Y546 HydrophobicContact CG1-CE1 4.49Å; V504-Y546 HydrophobicContact CG2-CD1 4.45Å; V504-Y546 PolarHBondContact N-O 3.16Å; I505-Y546 PolarHBondContact O-N 3.39Å; Y546-H550 HydrophobicContact CE2-CB 4.38Å; Y546-H550 PolarHBondContact OH-CD2 3.12Å; Y546-E551 WeakPolarHBondContact CA-O 3.4Å; Y546-I552 HydrophobicContact CD2-CG1 3.98Å; Y546-W589 VanDerWaalsContact CE2-O 3.3Å; Y546-W589 WeakPolarHBondContact CE2-O 3.33Å; Y546-W589 PolarHBondContact OH-O 2.93Å; Y546-I591 HydrophobicContact CD1-CD1 3.89Å; Y546-I591 HydrophobicContact CD2-CD1 4.04Å; Y546-I591 HydrophobicContact CD2-CG1 4.39Å; Y546-I591 HydrophobicContact CE1-CD1 4.11Å; Y546-I591 HydrophobicContact CE1-CG1 4.39Å; Y546-I591 HydrophobicContact CE2-CD1 4.23Å; Y546-I591 HydrophobicContact CE2-CG1 4.12Å; Y546-I591 HydrophobicContact CG-CD1 3.87Å
547	S	90.1	Very high	87.2	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.014	19%	0.192	C	C	.	.			trans	-81.5	161.3	-174.8	75.6	0	0	0	0	112.7	Q549 H550 E551	S547-Q549 PolarHBondContact O-N 3.47Å; S547-Q549 VanDerWaalsContact O-N 3.15Å; S547-Q549 PolarHBondContact OG-N 3.07Å; S547-H550 PolarHBondContact O-N 2.71Å; S547-H550 PolarHBondContact OG-N 3.13Å; S547-E551 PolarHBondContact N-O 2.84Å; S547-E551 WeakPolarHBondContact OG-CB 3.29Å; S547-E551 PolarHBondContact OG-N 3.21Å; S547-E551 PolarHBondContact OG-OE2 3.17Å
548	A	87.5	Confident	86.9	Confident	59 Å²	59	35.8 Å²	35.8	49%	0.488	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21	170.5	0	0	0	0	0	113.1	D500 H550	D500-A548 PolarHBondContact OD2-N 3.2Å; A548-H550 VanDerWaalsContact C-N 3.29Å
549	Q	89.6	Confident	87.2	Confident	61 Å²	61	32.1 Å²	32.1	29%	0.285	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	12.1	176.6	-66.3	73.9	34.2	0	0	113.4	S547 E551 Y576 V583	S547-Q549 PolarHBondContact O-N 3.47Å; S547-Q549 VanDerWaalsContact O-N 3.15Å; S547-Q549 PolarHBondContact OG-N 3.07Å; Q549-E551 VanDerWaalsContact C-N 3.33Å; Q549-E551 PolarHBondContact O-N 2.85Å; Q549-Y576 HydrophobicContact CG-CD1 4.09Å; Q549-Y576 HydrophobicContact CG-CE1 3.84Å; Q549-V583 HydrophobicContact CB-CG2 3.71Å; Q549-V583 HydrophobicContact CG-CG2 4.26Å
550	H	93.8	Very high	87.6	Confident	82 Å²	82	32.1 Å²	32.1	38%	0.38	17%	0.171	S	C	.	.	S	Bend	trans	65.9	30.5	178	-58.8	-174.6	0	0	0	113.7	Y546 S547 A548 I588 W589	Y546-H550 HydrophobicContact CE2-CB 4.38Å; Y546-H550 PolarHBondContact OH-CD2 3.12Å; S547-H550 PolarHBondContact O-N 2.71Å; S547-H550 PolarHBondContact OG-N 3.13Å; A548-H550 VanDerWaalsContact C-N 3.29Å; H550-I588 HydrophobicContact CB-CG2 4.04Å; H550-I588 CarbonylContact O-C 3.53Å; H550-I588 WeakPolarHBondContact O-CA 3.47Å; H550-W589 WeakPolarHBondContact CB-O 3.18Å; H550-W589 PolarHBondContact O-N 3.16Å
551	E	94.6	Very high	88.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.152	C	C	.	.			trans	-96.9	142.6	173	-61.6	159.1	112.6	0	0	110.4	Y546 S547 Q549 R553 C561 Y576 V583	Y546-E551 WeakPolarHBondContact CA-O 3.4Å; S547-E551 PolarHBondContact N-O 2.84Å; S547-E551 WeakPolarHBondContact OG-CB 3.29Å; S547-E551 PolarHBondContact OG-N 3.21Å; S547-E551 PolarHBondContact OG-OE2 3.17Å; Q549-E551 VanDerWaalsContact C-N 3.33Å; Q549-E551 PolarHBondContact O-N 2.85Å; E551-R553 HydrophobicContact CB-CG 3.94Å; E551-R553 IonicContact OE1-CZ 3.12Å; E551-R553 IonicContact OE1-NE 3.97Å; E551-R553 IonicContact OE1-NH2 2.97Å; E551-R553 PolarHBondContact OE1-NH2 2.86Å; E551-R553 IonicContact OE2-CZ 3.68Å; E551-R553 IonicContact OE2-NE 2.92Å; E551-R553 PolarHBondContact OE2-NE 2.86Å; E551-R553 IonicContact OE2-NH2 3.13Å; E551-R553 PolarHBondContact OE2-NH2 2.94Å; E551-C561 PolarHBondContact OE1-SG 3.49Å; E551-C561 VanDerWaalsContact OE1-SG 3.41Å; E551-Y576 WeakPolarHBondContact OE1-CB 3.38Å; E551-V583 HydrophobicContact CG-CG1 3.6Å; E551-V583 HydrophobicContact CG-CG2 4.33Å
552	I	95.5	Very high	88.5	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	104.9	166.3	-62.9	171	0	0	0	107.3	I509 F544 E545 Y546 C561 L562 W589 L597	I509-I552 HydrophobicContact CD1-CG2 3.7Å; F544-I552 HydrophobicContact CB-CG2 4.18Å; F544-I552 HydrophobicContact CD1-CG2 3.8Å; F544-I552 HydrophobicContact CG-CG2 4.27Å; E545-I552 CarbonylContact O-C 3.59Å; E545-I552 WeakPolarHBondContact O-CA 3.49Å; Y546-I552 HydrophobicContact CD2-CG1 3.98Å; I552-C561 WeakPolarHBondContact O-CA 2.98Å; I552-L562 HydrophobicContact CB-CB 3.86Å; I552-L562 HydrophobicContact CB-CD2 4.22Å; I552-L562 HydrophobicContact CD1-CD2 3.91Å; I552-L562 HydrophobicContact CG2-CB 4.13Å; I552-L562 HydrophobicContact CG2-CD2 4.23Å; I552-L562 WeakPolarHBondContact O-CB 3.33Å; I552-L562 PolarHBondContact O-N 2.72Å; I552-W589 HydrophobicContact CD1-CB 3.74Å; I552-W589 HydrophobicContact CD1-CD2 4.22Å; I552-W589 HydrophobicContact CD1-CG 3.78Å; I552-W589 HydrophobicContact CG1-CB 4.01Å; I552-W589 HydrophobicContact CG1-CG 4.14Å; I552-L597 HydrophobicContact CD1-CD1 4.19Å; I552-L597 HydrophobicContact CD1-CD2 4.15Å
553	R	92.7	Very high	88.7	Confident	1 Å²	1	28.2 Å²	28.2	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.4	-171.8	-65.6	-178.7	165.8	-106.2	-0.4	110.9	Y497 F544 E545 E551 L560 C574 Y576	Y497-R553 VanDerWaalsContact CE2-NH1 3.25Å; Y497-R553 VanDerWaalsContact OH-CD 3.31Å; Y497-R553 WeakPolarHBondContact OH-CD 3.4Å; Y497-R553 VanDerWaalsContact OH-CZ 3.32Å; Y497-R553 PolarHBondContact OH-NE 3.07Å; Y497-R553 PolarHBondContact OH-NH1 2.99Å; F544-R553 CarbonylContact C-O 3.52Å; F544-R553 WeakPolarHBondContact CA-O 3.41Å; E545-R553 HydrophobicContact CB-CB 4.38Å; E545-R553 PolarHBondContact N-O 3.15Å; E545-R553 PolarHBondContact O-N 2.79Å; E551-R553 HydrophobicContact CB-CG 3.94Å; E551-R553 IonicContact OE1-CZ 3.12Å; E551-R553 IonicContact OE1-NE 3.97Å; E551-R553 IonicContact OE1-NH2 2.97Å; E551-R553 PolarHBondContact OE1-NH2 2.86Å; E551-R553 IonicContact OE2-CZ 3.68Å; E551-R553 IonicContact OE2-NE 2.92Å; E551-R553 PolarHBondContact OE2-NE 2.86Å; E551-R553 IonicContact OE2-NH2 3.13Å; E551-R553 PolarHBondContact OE2-NH2 2.94Å; R553-L560 CarbonylContact C-O 3.53Å; R553-L560 VanDerWaalsContact CA-O 3.31Å; R553-L560 WeakPolarHBondContact CA-O 3.46Å; R553-C574 PolarHBondContact NH1-SG 3.5Å; R553-Y576 PolarHBondContact NH2-O 3.34Å
554	H	90.8	Very high	89	Confident	11 Å²	11	28 Å²	28	5%	0.051	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	98.5	161	178.3	75.9	0	0	0	107.4	V520 G540 Y543 F544 L560 L571	V520-H554 HydrophobicContact CG1-CB 4.21Å; G540-H554 PolarHBondContact O-CE1 3.11Å; G540-H554 VanDerWaalsContact O-CE1 3.31Å; Y543-H554 PolarHBondContact O-ND1 3.45Å; F544-H554 HydrophobicContact CD1-CB 4.07Å; F544-H554 HydrophobicContact CE1-CB 3.95Å; H554-L560 PolarHBondContact N-O 2.98Å; H554-L560 WeakPolarHBondContact O-CB 3.48Å; H554-L560 PolarHBondContact O-N 2.91Å; H554-L560 VanDerWaalsContact O-N 3.13Å; H554-L571 HydrophobicContact CB-CD1 3.91Å; H554-L571 HydrophobicContact CB-CD2 4.21Å
555	N	83.7	Confident	88.9	Confident	7 Å²	7	29.2 Å²	29.2	4%	0.037	15%	0.15	C	C	.	.			trans	-126.3	48.5	-167	58.6	-1.4	0	0	0	112.7	R454 E545 K558	R454-N555 PolarHBondContact NE-O 2.92Å; R454-N555 PolarHBondContact NH2-ND2 2.8Å; R454-N555 PolarHBondContact NH2-OD1 2.84Å; E545-N555 PolarHBondContact OE2-ND2 3.48Å; E545-N555 PolarHBondContact OE2-OD1 2.92Å; N555-K558 WeakPolarHBondContact CA-O 3.42Å
556	I	75.8	Confident	88.4	Confident	29 Å²	29	37.8 Å²	37.8	15%	0.149	19%	0.19	C	C	.	.	S	Bend	trans	-83.6	-63.8	172	-56.6	-58.1	0	0	0	110.7	R454 Y543	R454-I556 HydrophobicContact CB-CD1 4.41Å; R454-I556 HydrophobicContact CG-CD1 4.03Å; Y543-I556 HydrophobicContact CD1-CD1 3.33Å; Y543-I556 HydrophobicContact CD1-CG1 3.95Å; Y543-I556 HydrophobicContact CE1-CD1 3.92Å; Y543-I556 HydrophobicContact CG-CD1 3.72Å; Y543-I556 HydrophobicContact CG-CG1 4.35Å
557	Q	67.2	Low	88.1	Confident	128 Å²	128	38.5 Å²	38.5	60%	0.598	20%	0.203	S	C	*	.	S	Bend	trans	-98.6	-36.3	-177.3	-63.7	176.8	6.2	0	0	113.1
558	K	75.3	Confident	88.2	Confident	103 Å²	103	42.1 Å²	42.1	45%	0.448	22%	0.222	S	C	.	.	S	Bend	trans	-138.2	153.3	178	-74.3	-174.3	178.6	170	0	108.5	Q525 N555 L560	Q525-K558 VanDerWaalsContact OE1-CD 3.24Å; Q525-K558 VanDerWaalsContact OE1-NZ 3.11Å; N555-K558 WeakPolarHBondContact CA-O 3.42Å; K558-L560 VanDerWaalsContact C-N 3.29Å; K558-L560 HydrophobicContact CB-CD1 4.41Å; K558-L560 HydrophobicContact CB-CD2 4.14Å; K558-L560 HydrophobicContact CB-CG 3.92Å; K558-L560 PolarHBondContact O-N 3.47Å
559	E	83.1	Confident	88.5	Confident	52 Å²	52	39.4 Å²	39.4	24%	0.243	20%	0.199	C	C	.	.			trans	-75.2	85.3	172.1	-68.7	154.4	-143.7	0	0	110.3	Y497 A573 C574	Y497-E559 VanDerWaalsContact CB-OE1 3.28Å; Y497-E559 WeakPolarHBondContact CB-OE1 3.2Å; Y497-E559 WeakPolarHBondContact CB-OE2 3.43Å; Y497-E559 HydrophobicContact CD1-CG 3.36Å; Y497-E559 WeakPolarHBondContact CD1-OE1 3.26Å; Y497-E559 WeakPolarHBondContact CD1-OE2 3.4Å; Y497-E559 HydrophobicContact CE1-CG 3.79Å; Y497-E559 VanDerWaalsContact CG-CD 3.41Å; Y497-E559 HydrophobicContact CG-CG 4.1Å; E559-A573 WeakPolarHBondContact O-CA 3.49Å; E559-C574 HydrophobicContact CB-CB 4.47Å; E559-C574 PolarHBondContact O-N 3.45Å
560	L	90.8	Very high	88.7	Confident	6 Å²	6	39 Å²	39	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	142.4	176.8	-57	178.1	0	0	0	110.2	R553 H554 K558 L571 K572 C574	R553-L560 CarbonylContact C-O 3.53Å; R553-L560 VanDerWaalsContact CA-O 3.31Å; R553-L560 WeakPolarHBondContact CA-O 3.46Å; H554-L560 PolarHBondContact N-O 2.98Å; H554-L560 WeakPolarHBondContact O-CB 3.48Å; H554-L560 PolarHBondContact O-N 2.91Å; H554-L560 VanDerWaalsContact O-N 3.13Å; K558-L560 VanDerWaalsContact C-N 3.29Å; K558-L560 HydrophobicContact CB-CD1 4.41Å; K558-L560 HydrophobicContact CB-CD2 4.14Å; K558-L560 HydrophobicContact CB-CG 3.92Å; K558-L560 PolarHBondContact O-N 3.47Å; L560-L571 HydrophobicContact CB-CB 4.07Å; L560-L571 HydrophobicContact CB-CD1 4.17Å; L560-L571 HydrophobicContact CB-CD2 4.19Å; L560-L571 HydrophobicContact CB-CG 4.38Å; L560-L571 HydrophobicContact CD1-CB 4.11Å; L560-L571 HydrophobicContact CD1-CD1 3.99Å; L560-K572 CarbonylContact C-O 3.51Å; L560-K572 VanDerWaalsContact CA-O 3.3Å; L560-K572 WeakPolarHBondContact CA-O 3.45Å; L560-C574 PolarHBondContact O-SG 3.14Å
561	C	94.1	Very high	88.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.9	177.9	-79.7	0	0	0	0	108.7	E551 I552 H563 K572 C574 Q587	E551-C561 PolarHBondContact OE1-SG 3.49Å; E551-C561 VanDerWaalsContact OE1-SG 3.41Å; I552-C561 WeakPolarHBondContact O-CA 2.98Å; C561-H563 PolarHBondContact O-N 2.88Å; C561-K572 PolarHBondContact N-O 3.31Å; C561-K572 PolarHBondContact O-N 2.56Å; C561-C574 HydrophobicContact CB-CB 4.07Å; C561-C574 WeakPolarHBondContact CB-SG 3.34Å; C561-C574 PolarHBondContact N-SG 3.34Å; C561-C574 VanDerWaalsContact SG-CA 3.57Å; C561-C574 WeakPolarHBondContact SG-CB 3.3Å; C561-C574 CovalentContact SG-SG 2.05Å; C561-C574 PolarHBondContact SG-SG 2.04Å; C561-Q587 HydrophobicContact CB-CB 4.35Å; C561-Q587 HydrophobicContact CB-CG 4.02Å
562	L	96	Very high	88.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	120.6	170.8	-162.4	72.1	0	0	0	108.4	L518 L530 I552 V569 L571 W589 L606	L518-L562 HydrophobicContact CD2-CD1 4.42Å; L530-L562 HydrophobicContact CD1-CD1 3.86Å; L530-L562 HydrophobicContact CD2-CD1 3.64Å; L530-L562 HydrophobicContact CG-CD1 4.44Å; I552-L562 HydrophobicContact CB-CB 3.86Å; I552-L562 HydrophobicContact CB-CD2 4.22Å; I552-L562 HydrophobicContact CD1-CD2 3.91Å; I552-L562 HydrophobicContact CG2-CB 4.13Å; I552-L562 HydrophobicContact CG2-CD2 4.23Å; I552-L562 WeakPolarHBondContact O-CB 3.33Å; I552-L562 PolarHBondContact O-N 2.72Å; L562-V569 HydrophobicContact CD1-CG1 3.32Å; L562-V569 HydrophobicContact CD2-CG1 4.17Å; L562-V569 HydrophobicContact CG-CG1 3.49Å; L562-V569 VanDerWaalsContact CG-CG1 3.49Å; L562-L571 HydrophobicContact CD1-CD2 4.35Å; L562-W589 HydrophobicContact CB-CZ2 4.49Å; L562-W589 HydrophobicContact CD2-CD2 4.19Å; L562-W589 HydrophobicContact CD2-CH2 4.21Å; L562-W589 HydrophobicContact CD2-CZ2 3.74Å; L562-W589 HydrophobicContact CG-CZ2 3.86Å; L562-W589 PolarHBondContact O-NE1 3.27Å; L562-L606 HydrophobicContact CD2-CD2 4.41Å
563	H	96.3	Very high	88.3	Confident	22 Å²	22	41.9 Å²	41.9	10%	0.102	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.6	-171.2	-174.8	90.5	0	0	0	109.7	C561 Q570 K572 E586 Q587	C561-H563 PolarHBondContact O-N 2.88Å; H563-Q570 PolarHBondContact N-O 3.19Å; H563-Q570 PolarHBondContact O-N 3.34Å; H563-K572 HydrophobicContact CB-CB 4.12Å; H563-K572 HydrophobicContact CB-CD 4.26Å; H563-K572 HydrophobicContact CB-CG 4.06Å; H563-K572 PolarHBondContact CD2-NZ 3.26Å; H563-K572 PolarHBondContact NE2-NZ 3.27Å; H563-E586 WeakPolarHBondContact CE1-CB 3.01Å; H563-Q587 HydrophobicContact CB-CG 4.4Å
564	A	94.3	Very high	88.2	Confident	2 Å²	2	42 Å²	42	2%	0.017	22%	0.222	C	C	.	.			trans	-64	132.8	174.4	0	0	0	0	0	110.8	E586 W589 N599 L602 L615	A564-E586 HydrophobicContact CB-CB 4.24Å; A564-E586 VanDerWaalsContact CB-O 3.24Å; A564-E586 WeakPolarHBondContact CB-O 3.44Å; A564-E586 PolarHBondContact N-O 3.41Å; A564-W589 HydrophobicContact CB-CH2 4.38Å; A564-W589 HydrophobicContact CB-CZ2 4.03Å; A564-N599 HydrophobicContact CB-CB 4.12Å; A564-N599 VanDerWaalsContact CB-CG 3.45Å; A564-N599 WeakPolarHBondContact CB-ND2 3.36Å; A564-L602 HydrophobicContact CB-CD1 3.93Å; A564-L602 HydrophobicContact CB-CG 4.43Å; A564-L615 HydrophobicContact CB-CD1 3.52Å
565	A	90	Very high	88.2	Confident	26 Å²	26	43.8 Å²	43.8	22%	0.215	23%	0.234	C	C	.	.			trans	-140.4	158.5	172.6	0	0	0	0	0	109.4	G567	A565-G567 VanDerWaalsContact C-N 3.32Å; A565-G567 PolarHBondContact O-N 3.45Å
566	Q	83.2	Confident	88.3	Confident	184 Å²	184	46.3 Å²	46.3	86%	0.86	24%	0.243	S	C	*	.	S	Bend	trans	-68.7	92.5	171	-70.4	171.4	1.4	0	0	108.5
567	G	86.7	Confident	88.4	Confident	34 Å²	34	50.3 Å²	50.3	35%	0.351	26%	0.259	S	S	.	.	S	Bend	trans	122.9	-128.2	-174.3	0	0	0	0	0	112.3	A565 S614 L615	A565-G567 VanDerWaalsContact C-N 3.32Å; A565-G567 PolarHBondContact O-N 3.45Å; G567-S614 VanDerWaalsContact O-CA 3.31Å; G567-S614 WeakPolarHBondContact O-CA 3.4Å; G567-S614 VanDerWaalsContact O-CB 3.3Å; G567-S614 WeakPolarHBondContact O-CB 3.15Å; G567-L615 PolarHBondContact O-N 2.71Å
568	L	91.5	Very high	88.7	Confident	78 Å²	78	45.1 Å²	45.1	41%	0.408	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-71.1	136.6	-177.2	-56.2	-174.6	0	0	0	111.4	P529 H612	P529-L568 HydrophobicContact CB-CB 4.3Å; P529-L568 HydrophobicContact CB-CD1 3.99Å; P529-L568 HydrophobicContact CG-CD1 4.41Å; L568-H612 HydrophobicContact CD1-CB 3.93Å; L568-H612 HydrophobicContact CD2-CB 3.66Å; L568-H612 HydrophobicContact CG-CB 4.31Å
569	V	92.7	Very high	88.2	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	26%	0.256	C	S	.	.			trans	-77.7	141.6	173.9	174.5	0	0	0	0	109.9	L530 L562 W589 L606 P613 L615	L530-V569 HydrophobicContact CD1-CG1 4.37Å; L530-V569 WeakPolarHBondContact CD1-O 3.26Å; L562-V569 HydrophobicContact CD1-CG1 3.32Å; L562-V569 HydrophobicContact CD2-CG1 4.17Å; L562-V569 HydrophobicContact CG-CG1 3.49Å; L562-V569 VanDerWaalsContact CG-CG1 3.49Å; V569-W589 HydrophobicContact CG1-CZ2 4.27Å; V569-W589 HydrophobicContact CG2-CH2 4.17Å; V569-L606 HydrophobicContact CB-CD1 4.04Å; V569-L606 HydrophobicContact CG1-CD1 4.39Å; V569-L606 HydrophobicContact CG2-CD1 3.51Å; V569-P613 PolarHBondContact N-O 3.14Å; V569-L615 HydrophobicContact CG2-CD1 4.45Å; V569-L615 HydrophobicContact CG2-CG 3.85Å
570	Q	93.7	Very high	87.5	Confident	53 Å²	53	56.2 Å²	56.2	25%	0.248	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	161	-176.4	-63.2	179.8	-30.2	0	0	110.6	H563	H563-Q570 PolarHBondContact N-O 3.19Å; H563-Q570 PolarHBondContact O-N 3.34Å
571	L	93.3	Very high	87	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.3	159.6	-76.7	-176.7	0	0	0	109.7	V520 G526 G527 L530 H554 L560 L562	V520-L571 HydrophobicContact CB-CD1 3.93Å; V520-L571 HydrophobicContact CG1-CD1 3.41Å; V520-L571 VanDerWaalsContact CG1-CD1 3.41Å; G526-L571 CarbonylContact C-O 3.55Å; G526-L571 VanDerWaalsContact CA-O 3.3Å; G526-L571 WeakPolarHBondContact CA-O 3.45Å; G527-L571 PolarHBondContact N-O 3.41Å; L530-L571 HydrophobicContact CD1-CG 4.05Å; L530-L571 HydrophobicContact CD2-CG 4.42Å; L530-L571 HydrophobicContact CG-CG 4.39Å; H554-L571 HydrophobicContact CB-CD1 3.91Å; H554-L571 HydrophobicContact CB-CD2 4.21Å; L560-L571 HydrophobicContact CB-CB 4.07Å; L560-L571 HydrophobicContact CB-CD1 4.17Å; L560-L571 HydrophobicContact CB-CD2 4.19Å; L560-L571 HydrophobicContact CB-CG 4.38Å; L560-L571 HydrophobicContact CD1-CB 4.11Å; L560-L571 HydrophobicContact CD1-CD1 3.99Å; L562-L571 HydrophobicContact CD1-CD2 4.35Å
572	K	93.2	Very high	86.6	Confident	79 Å²	79	63.9 Å²	63.9	34%	0.343	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	162	170.5	-69.6	-169.4	-175.2	166.7	0	109.9	L560 C561 H563 C574	L560-K572 CarbonylContact C-O 3.51Å; L560-K572 VanDerWaalsContact CA-O 3.3Å; L560-K572 WeakPolarHBondContact CA-O 3.45Å; C561-K572 PolarHBondContact N-O 3.31Å; C561-K572 PolarHBondContact O-N 2.56Å; H563-K572 HydrophobicContact CB-CB 4.12Å; H563-K572 HydrophobicContact CB-CD 4.26Å; H563-K572 HydrophobicContact CB-CG 4.06Å; H563-K572 PolarHBondContact CD2-NZ 3.26Å; H563-K572 PolarHBondContact NE2-NZ 3.27Å; K572-C574 PolarHBondContact O-N 2.82Å
573	A	91.1	Very high	86.3	Confident	64 Å²	64	65.4 Å²	65.4	53%	0.529	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52	132.9	172.4	0	0	0	0	0	110.2	E559 T575 Q587	E559-A573 WeakPolarHBondContact O-CA 3.49Å; A573-T575 PolarHBondContact O-N 2.67Å; A573-Q587 PolarHBondContact O-NE2 3.02Å
574	C	89.6	Confident	86.2	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.02	35%	0.354	C	S	.	.			trans	-61.3	131.6	175.7	-66.7	0	0	0	0	109.9	R553 E559 L560 C561 K572	R553-C574 PolarHBondContact NH1-SG 3.5Å; E559-C574 HydrophobicContact CB-CB 4.47Å; E559-C574 PolarHBondContact O-N 3.45Å; L560-C574 PolarHBondContact O-SG 3.14Å; C561-C574 HydrophobicContact CB-CB 4.07Å; C561-C574 WeakPolarHBondContact CB-SG 3.34Å; C561-C574 PolarHBondContact N-SG 3.34Å; C561-C574 VanDerWaalsContact SG-CA 3.57Å; C561-C574 WeakPolarHBondContact SG-CB 3.3Å; C561-C574 CovalentContact SG-SG 2.05Å; C561-C574 PolarHBondContact SG-SG 2.04Å; K572-C574 PolarHBondContact O-N 2.82Å
575	T	89.9	Confident	86.2	Confident	49 Å²	49	67.4 Å²	67.4	30%	0.301	36%	0.363	S	S	.	.	S	Bend	trans	-77.8	-33.7	178.8	52.5	0	0	0	0	110.8	A573 T581 V582 T584 Q587	A573-T575 PolarHBondContact O-N 2.67Å; T575-T581 WeakPolarHBondContact O-CB 3.28Å; T575-V582 PolarHBondContact OG1-O 3.34Å; T575-T584 HydrophobicContact CG2-CG2 3.56Å; T575-T584 PolarHBondContact OG1-N 2.95Å; T575-Q587 PolarHBondContact OG1-OE1 3.02Å
576	Y	86.1	Confident	86.5	Confident	59 Å²	59	68.6 Å²	68.6	23%	0.231	37%	0.365	C	S	.	.			trans	-83.4	119.5	171	-174.8	-107.6	0	0	0	111.5	Q549 E551 R553 T581 V583	Q549-Y576 HydrophobicContact CG-CD1 4.09Å; Q549-Y576 HydrophobicContact CG-CE1 3.84Å; E551-Y576 WeakPolarHBondContact OE1-CB 3.38Å; R553-Y576 PolarHBondContact NH2-O 3.34Å; Y576-T581 WeakPolarHBondContact CD2-O 3.06Å; Y576-V583 HydrophobicContact CD2-CG2 4.32Å; Y576-V583 HydrophobicContact CG-CG2 4.02Å
577	K	78.1	Confident	87.1	Confident	114 Å²	114	59.9 Å²	59.9	50%	0.496	32%	0.324	S	S	.	.			trans	-125.9	18.6	177	-61	-169.5	174.5	-168.5	0	112.6	T581	K577-T581 HydrophobicContact CB-CG2 4.48Å; K577-T581 PolarHBondContact N-OG1 3.42Å
578	G	73.6	Confident	87.6	Confident	19 Å²	19	60.4 Å²	60.4	20%	0.196	32%	0.318	C	S	.	.	S	Bend	trans	85.8	-167.5	-169.2	0	0	0	0	0	112.7	T581	G578-T581 PolarHBondContact N-OG1 3.03Å; G578-T581 WeakPolarHBondContact O-CB 3.34Å; G578-T581 PolarHBondContact O-N 3.18Å; G578-T581 VanDerWaalsContact O-N 3.14Å; G578-T581 PolarHBondContact O-OG1 2.89Å
579	H	65.1	Low	87.9	Confident	169 Å²	169	56.7 Å²	56.7	78%	0.782	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	4	113.6	179.5	-75.7	-72.5	0	0	0	117.6	T581	H579-T581 PolarHBondContact O-N 3.47Å
580	K	67.3	Low	88.1	Confident	219 Å²	219	60.1 Å²	60.1	95%	0.952	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	-9.2	176.6	-56.7	-178.7	179.3	177.9	0	116.6
581	T	81.2	Confident	88.1	Confident	53 Å²	53	60.6 Å²	60.6	33%	0.325	32%	0.318	S	S	.	.			trans	-84.9	153.3	171.8	69.1	0	0	0	0	111.1	T575 Y576 K577 G578 H579	T575-T581 WeakPolarHBondContact O-CB 3.28Å; Y576-T581 WeakPolarHBondContact CD2-O 3.06Å; K577-T581 HydrophobicContact CB-CG2 4.48Å; K577-T581 PolarHBondContact N-OG1 3.42Å; G578-T581 PolarHBondContact N-OG1 3.03Å; G578-T581 WeakPolarHBondContact O-CB 3.34Å; G578-T581 PolarHBondContact O-N 3.18Å; G578-T581 VanDerWaalsContact O-N 3.14Å; G578-T581 PolarHBondContact O-OG1 2.89Å; H579-T581 PolarHBondContact O-N 3.47Å
582	V	86.1	Confident	88.1	Confident	114 Å²	114	63.8 Å²	63.8	69%	0.691	33%	0.333	S	S	*	.			trans	-125.8	147.3	-180	-67.2	0	0	0	0	109.6	T575	T575-V582 PolarHBondContact OG1-O 3.34Å
583	V	89.6	Confident	88	Confident	31 Å²	31	70.4 Å²	70.4	19%	0.188	36%	0.362	C	S	.	.			trans	-71.6	131.9	173.5	-168.2	0	0	0	0	108.8	Q549 E551 Y576 Q587 I588	Q549-V583 HydrophobicContact CB-CG2 3.71Å; Q549-V583 HydrophobicContact CG-CG2 4.26Å; E551-V583 HydrophobicContact CG-CG1 3.6Å; E551-V583 HydrophobicContact CG-CG2 4.33Å; Y576-V583 HydrophobicContact CD2-CG2 4.32Å; Y576-V583 HydrophobicContact CG-CG2 4.02Å; V583-Q587 HydrophobicContact CG1-CB 4.11Å; V583-I588 HydrophobicContact CB-CG1 4.33Å; V583-I588 HydrophobicContact CG1-CD1 4.47Å; V583-I588 HydrophobicContact CG1-CG1 3.68Å
584	T	93.6	Very high	88	Confident	46 Å²	46	69.7 Å²	69.7	28%	0.282	35%	0.349	S	S	.	.			trans	-79.7	150.6	171.9	70.5	0	0	0	0	111.5	T575 E586 Q587 I588	T575-T584 HydrophobicContact CG2-CG2 3.56Å; T575-T584 PolarHBondContact OG1-N 2.95Å; T584-E586 VanDerWaalsContact CB-OE2 3.25Å; T584-E586 WeakPolarHBondContact CB-OE2 3.43Å; T584-E586 PolarHBondContact O-N 3.47Å; T584-E586 VanDerWaalsContact O-N 3.13Å; T584-E586 PolarHBondContact OG1-OE2 3.37Å; T584-E586 VanDerWaalsContact OG1-OE2 3.06Å; T584-Q587 PolarHBondContact O-N 3.37Å; T584-I588 PolarHBondContact O-N 3.08Å
585	G	94.9	Very high	88.2	Confident	20 Å²	20	73.7 Å²	73.7	21%	0.206	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-57.7	-30.8	-175.5	0	0	0	0	0	114.1	Q587 I588 N599 F601	G585-Q587 PolarHBondContact O-N 3.48Å; G585-I588 PolarHBondContact O-N 3.35Å; G585-N599 PolarHBondContact O-ND2 2.68Å; G585-N599 VanDerWaalsContact O-ND2 3.08Å; G585-F601 VanDerWaalsContact O-CB 3.24Å; G585-F601 WeakPolarHBondContact O-CB 3.47Å
586	E	95.9	Very high	88.6	Confident	52 Å²	52	71.4 Å²	71.4	24%	0.243	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-67.7	-20.3	176.5	-56.9	84.5	172.1	0	0	113.4	H563 A564 T584 F601	H563-E586 WeakPolarHBondContact CE1-CB 3.01Å; A564-E586 HydrophobicContact CB-CB 4.24Å; A564-E586 VanDerWaalsContact CB-O 3.24Å; A564-E586 WeakPolarHBondContact CB-O 3.44Å; A564-E586 PolarHBondContact N-O 3.41Å; T584-E586 VanDerWaalsContact CB-OE2 3.25Å; T584-E586 WeakPolarHBondContact CB-OE2 3.43Å; T584-E586 PolarHBondContact O-N 3.47Å; T584-E586 VanDerWaalsContact O-N 3.13Å; T584-E586 PolarHBondContact OG1-OE2 3.37Å; T584-E586 VanDerWaalsContact OG1-OE2 3.06Å; E586-F601 HydrophobicContact CG-CD1 3.74Å; E586-F601 HydrophobicContact CG-CE1 3.72Å; E586-F601 VanDerWaalsContact OE1-CE1 3.26Å; E586-F601 WeakPolarHBondContact OE1-CE1 3.34Å; E586-F601 WeakPolarHBondContact OE1-CZ 3.42Å
587	Q	96.4	Very high	89.1	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-100.9	-1.3	179.6	-67.6	-177.3	-24.1	0	0	113.1	C561 H563 A573 T575 V583 T584 G585 W589	C561-Q587 HydrophobicContact CB-CB 4.35Å; C561-Q587 HydrophobicContact CB-CG 4.02Å; H563-Q587 HydrophobicContact CB-CG 4.4Å; A573-Q587 PolarHBondContact O-NE2 3.02Å; T575-Q587 PolarHBondContact OG1-OE1 3.02Å; V583-Q587 HydrophobicContact CG1-CB 4.11Å; T584-Q587 PolarHBondContact O-N 3.37Å; G585-Q587 PolarHBondContact O-N 3.48Å; Q587-W589 VanDerWaalsContact O-CD1 3.31Å
588	I	96.9	Very high	90	Very high	45 Å²	45	65.4 Å²	65.4	23%	0.231	33%	0.328	C	S	.	.			trans	-84.6	130.3	174.5	-60.8	176.6	0	0	0	109.1	H550 V583 T584 G585 N599 P600	H550-I588 HydrophobicContact CB-CG2 4.04Å; H550-I588 CarbonylContact O-C 3.53Å; H550-I588 WeakPolarHBondContact O-CA 3.47Å; V583-I588 HydrophobicContact CB-CG1 4.33Å; V583-I588 HydrophobicContact CG1-CD1 4.47Å; V583-I588 HydrophobicContact CG1-CG1 3.68Å; T584-I588 PolarHBondContact O-N 3.08Å; G585-I588 PolarHBondContact O-N 3.35Å; I588-N599 PolarHBondContact O-ND2 3.35Å; I588-P600 HydrophobicContact CB-CG 4.21Å; I588-P600 HydrophobicContact CG2-CG 3.64Å; I588-P600 WeakPolarHBondContact O-CD 3.31Å
589	W	97.3	Very high	91.2	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.319	C	S	.	.			trans	-133.8	134.4	177.4	-65.4	88.5	0	0	0	109.8	Y546 H550 I552 L562 A564 V569 Q587 L597 Y598 N599 L606 L615	Y546-W589 VanDerWaalsContact CE2-O 3.3Å; Y546-W589 WeakPolarHBondContact CE2-O 3.33Å; Y546-W589 PolarHBondContact OH-O 2.93Å; H550-W589 WeakPolarHBondContact CB-O 3.18Å; H550-W589 PolarHBondContact O-N 3.16Å; I552-W589 HydrophobicContact CD1-CB 3.74Å; I552-W589 HydrophobicContact CD1-CD2 4.22Å; I552-W589 HydrophobicContact CD1-CG 3.78Å; I552-W589 HydrophobicContact CG1-CB 4.01Å; I552-W589 HydrophobicContact CG1-CG 4.14Å; L562-W589 HydrophobicContact CB-CZ2 4.49Å; L562-W589 HydrophobicContact CD2-CD2 4.19Å; L562-W589 HydrophobicContact CD2-CH2 4.21Å; L562-W589 HydrophobicContact CD2-CZ2 3.74Å; L562-W589 HydrophobicContact CG-CZ2 3.86Å; L562-W589 PolarHBondContact O-NE1 3.27Å; A564-W589 HydrophobicContact CB-CH2 4.38Å; A564-W589 HydrophobicContact CB-CZ2 4.03Å; V569-W589 HydrophobicContact CG1-CZ2 4.27Å; V569-W589 HydrophobicContact CG2-CH2 4.17Å; Q587-W589 VanDerWaalsContact O-CD1 3.31Å; W589-L597 HydrophobicContact CE3-CB 4.38Å; W589-Y598 CarbonylContact C-O 3.59Å; W589-Y598 WeakPolarHBondContact CA-O 3.41Å; W589-N599 HydrophobicContact CD2-CB 4.49Å; W589-N599 HydrophobicContact CE3-CB 4.08Å; W589-N599 HydrophobicContact CH2-CB 4.26Å; W589-N599 HydrophobicContact CZ3-CB 3.95Å; W589-L606 HydrophobicContact CH2-CD1 4.4Å; W589-L606 HydrophobicContact CZ3-CB 4.07Å; W589-L615 HydrophobicContact CH2-CD1 4.35Å; W589-L615 HydrophobicContact CH2-CD2 3.7Å; W589-L615 HydrophobicContact CH2-CG 4.28Å; W589-L615 HydrophobicContact CZ3-CD2 3.82Å
590	E	96.4	Very high	92.7	Very high	72 Å²	72	58.3 Å²	58.3	34%	0.336	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.9	175.1	-65.1	178.4	-179.2	0	0	109.4	Q592 Y598	E590-Q592 PolarHBondContact O-N 3.23Å; E590-Y598 HydrophobicContact CB-CD1 4.29Å; E590-Y598 PolarHBondContact N-O 3.01Å; E590-Y598 PolarHBondContact O-N 2.83Å
591	I	94.6	Very high	94	Very high	63 Å²	63	53.3 Å²	53.3	32%	0.323	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	103.9	170.5	-50.2	179.4	0	0	0	107.6	I505 Y546 L597 F629	I505-I591 HydrophobicContact CD1-CD1 4.42Å; Y546-I591 HydrophobicContact CD1-CD1 3.89Å; Y546-I591 HydrophobicContact CD2-CD1 4.04Å; Y546-I591 HydrophobicContact CD2-CG1 4.39Å; Y546-I591 HydrophobicContact CE1-CD1 4.11Å; Y546-I591 HydrophobicContact CE1-CG1 4.39Å; Y546-I591 HydrophobicContact CE2-CD1 4.23Å; Y546-I591 HydrophobicContact CE2-CG1 4.12Å; Y546-I591 HydrophobicContact CG-CD1 3.87Å; I591-L597 HydrophobicContact CB-CD2 4.4Å; I591-L597 HydrophobicContact CG1-CD2 3.75Å; I591-L597 HydrophobicContact CG2-CD2 4.45Å; I591-F629 HydrophobicContact CD1-CD1 4.02Å
592	Q	93.9	Very high	94.8	Very high	67 Å²	67	52.7 Å²	52.7	31%	0.313	27%	0.266	S	S	.	.			trans	-82.8	162.1	-176.6	-63.8	-162.5	-8.4	0	0	112.7	E590 D594 Q595 L596	E590-Q592 PolarHBondContact O-N 3.23Å; Q592-D594 WeakPolarHBondContact CB-OD1 3.25Å; Q592-D594 PolarHBondContact O-N 3.24Å; Q592-Q595 PolarHBondContact O-N 3.41Å; Q592-L596 HydrophobicContact CB-CB 4.31Å; Q592-L596 PolarHBondContact N-O 3.07Å
593	K	91	Very high	95.3	Very high	219 Å²	219	54.8 Å²	54.8	95%	0.952	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.5	-177.4	-67.8	-177.3	-179.7	178.3	0	113.7	Q595	K593-Q595 VanDerWaalsContact C-N 3.26Å
594	D	91.2	Very high	95.6	Very high	49 Å²	49	55.6 Å²	55.6	26%	0.262	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	12.1	176.5	58.5	-3.6	0	0	0	113.3	Q592 L596 P620	Q592-D594 WeakPolarHBondContact CB-OD1 3.25Å; Q592-D594 PolarHBondContact O-N 3.24Å; D594-L596 VanDerWaalsContact C-N 3.27Å; D594-L596 PolarHBondContact O-N 3.19Å; D594-L596 WeakPolarHBondContact OD1-CG 3.15Å; D594-L596 PolarHBondContact OD1-N 3.14Å; D594-L596 WeakPolarHBondContact OD2-CD1 3.46Å; D594-P620 HydrophobicContact CB-CB 4.45Å; D594-P620 WeakPolarHBondContact OD2-CB 3.38Å; D594-P620 WeakPolarHBondContact OD2-CG 3.47Å
595	Q	93.9	Very high	95.8	Very high	86 Å²	86	53.4 Å²	53.4	40%	0.402	26%	0.255	S	S	.	.	S	Bend	trans	70	16.6	179.1	-56.9	171.1	45.5	0	0	114.3	Q592 K593 K626 W627	Q592-Q595 PolarHBondContact O-N 3.41Å; K593-Q595 VanDerWaalsContact C-N 3.26Å; Q595-K626 HydrophobicContact CB-CB 4.18Å; Q595-K626 HydrophobicContact CB-CG 4.4Å; Q595-K626 WeakPolarHBondContact O-CA 3.21Å; Q595-W627 PolarHBondContact O-N 3.05Å
596	L	96.8	Very high	95.9	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-75.7	139.2	171.7	-60.9	179.2	0	0	0	110.8	Q592 D594 C618 P620 Q625	Q592-L596 HydrophobicContact CB-CB 4.31Å; Q592-L596 PolarHBondContact N-O 3.07Å; D594-L596 VanDerWaalsContact C-N 3.27Å; D594-L596 PolarHBondContact O-N 3.19Å; D594-L596 WeakPolarHBondContact OD1-CG 3.15Å; D594-L596 PolarHBondContact OD1-N 3.14Å; D594-L596 WeakPolarHBondContact OD2-CD1 3.46Å; L596-C618 HydrophobicContact CD1-CB 4.41Å; L596-P620 HydrophobicContact CD1-CB 4.45Å; L596-P620 HydrophobicContact CD1-CG 4.06Å; L596-Q625 HydrophobicContact CD2-CB 3.56Å; L596-Q625 WeakPolarHBondContact CD2-O 3.34Å
597	L	97.1	Very high	96	Very high	3 Å²	3	50 Å²	50	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	98.3	164.7	-69.1	179.9	0	0	0	108.5	I509 I552 W589 I591 C605 L606 W627	I509-L597 HydrophobicContact CG2-CD1 4.01Å; I552-L597 HydrophobicContact CD1-CD1 4.19Å; I552-L597 HydrophobicContact CD1-CD2 4.15Å; W589-L597 HydrophobicContact CE3-CB 4.38Å; I591-L597 HydrophobicContact CB-CD2 4.4Å; I591-L597 HydrophobicContact CG1-CD2 3.75Å; I591-L597 HydrophobicContact CG2-CD2 4.45Å; L597-C605 WeakPolarHBondContact O-CA 3.45Å; L597-L606 HydrophobicContact CB-CB 4Å; L597-L606 HydrophobicContact CD1-CD2 3.87Å; L597-L606 PolarHBondContact O-N 3.16Å; L597-W627 HydrophobicContact CD1-CB 3.84Å; L597-W627 HydrophobicContact CD1-CD2 4.14Å; L597-W627 HydrophobicContact CD1-CG 3.62Å; L597-W627 HydrophobicContact CG-CB 3.93Å; L597-W627 HydrophobicContact CG-CG 3.9Å
598	Y	97.6	Very high	95.9	Very high	44 Å²	44	50 Å²	50	17%	0.173	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.7	-172.5	174.9	-116.2	0	0	0	111.5	W589 E590 P600 K603 M604 C618	W589-Y598 CarbonylContact C-O 3.59Å; W589-Y598 WeakPolarHBondContact CA-O 3.41Å; E590-Y598 HydrophobicContact CB-CD1 4.29Å; E590-Y598 PolarHBondContact N-O 3.01Å; E590-Y598 PolarHBondContact O-N 2.83Å; Y598-P600 HydrophobicContact CD1-CB 4.36Å; Y598-P600 HydrophobicContact CE1-CB 3.8Å; Y598-K603 HydrophobicContact CE2-CB 4.41Å; Y598-M604 WeakPolarHBondContact CD2-O 3.39Å; Y598-C618 VanDerWaalsContact CD2-SG 3.58Å
599	N	97.9	Very high	95.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	112.7	168.2	178	-96.2	0	0	0	109.6	A564 G585 I588 W589 F601 L602 K603 M604	A564-N599 HydrophobicContact CB-CB 4.12Å; A564-N599 VanDerWaalsContact CB-CG 3.45Å; A564-N599 WeakPolarHBondContact CB-ND2 3.36Å; G585-N599 PolarHBondContact O-ND2 2.68Å; G585-N599 VanDerWaalsContact O-ND2 3.08Å; I588-N599 PolarHBondContact O-ND2 3.35Å; W589-N599 HydrophobicContact CD2-CB 4.49Å; W589-N599 HydrophobicContact CE3-CB 4.08Å; W589-N599 HydrophobicContact CH2-CB 4.26Å; W589-N599 HydrophobicContact CZ3-CB 3.95Å; N599-F601 VanDerWaalsContact C-N 3.3Å; N599-F601 PolarHBondContact O-N 3.04Å; N599-F601 PolarHBondContact OD1-N 3.25Å; N599-L602 PolarHBondContact OD1-N 2.68Å; N599-K603 VanDerWaalsContact O-CA 3.29Å; N599-K603 WeakPolarHBondContact O-CA 3.36Å; N599-K603 PolarHBondContact O-N 2.99Å; N599-M604 PolarHBondContact N-O 2.75Å; N599-M604 PolarHBondContact O-N 3.02Å
600	P	96.6	Very high	95.1	Very high	38 Å²	38	55.4 Å²	55.4	25%	0.247	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-24.4	-175.8	26.2	-33.4	0	0	0	113.8	I588 Y598	I588-P600 HydrophobicContact CB-CG 4.21Å; I588-P600 HydrophobicContact CG2-CG 3.64Å; I588-P600 WeakPolarHBondContact O-CD 3.31Å; Y598-P600 HydrophobicContact CD1-CB 4.36Å; Y598-P600 HydrophobicContact CE1-CB 3.8Å
601	F	95.9	Very high	94.5	Very high	114 Å²	114	59 Å²	59	50%	0.5	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-48.9	-179.6	178.4	-105.6	0	0	0	112.3	G585 E586 N599	G585-F601 VanDerWaalsContact O-CB 3.24Å; G585-F601 WeakPolarHBondContact O-CB 3.47Å; E586-F601 HydrophobicContact CG-CD1 3.74Å; E586-F601 HydrophobicContact CG-CE1 3.72Å; E586-F601 VanDerWaalsContact OE1-CE1 3.26Å; E586-F601 WeakPolarHBondContact OE1-CE1 3.34Å; E586-F601 WeakPolarHBondContact OE1-CZ 3.42Å; N599-F601 VanDerWaalsContact C-N 3.3Å; N599-F601 PolarHBondContact O-N 3.04Å; N599-F601 PolarHBondContact OD1-N 3.25Å
602	L	96.1	Very high	94.5	Very high	41 Å²	41	58.5 Å²	58.5	22%	0.215	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-12.4	175.8	-62.5	-174	0	0	0	113.2	A564 N599 M604 L615	A564-L602 HydrophobicContact CB-CD1 3.93Å; A564-L602 HydrophobicContact CB-CG 4.43Å; N599-L602 PolarHBondContact OD1-N 2.68Å; L602-M604 VanDerWaalsContact C-N 3.31Å; L602-M604 HydrophobicContact CB-CB 4.45Å; L602-M604 HydrophobicContact CB-CG 4.34Å; L602-M604 HydrophobicContact CB-SD 4.38Å; L602-M604 WeakPolarHBondContact O-CG 3.28Å; L602-M604 PolarHBondContact O-N 3.15Å; L602-L615 HydrophobicContact CD1-CD1 3.69Å
603	K	96.8	Very high	94.6	Very high	157 Å²	157	55.4 Å²	55.4	68%	0.683	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	41.2	-175	-53.6	178.9	-179.3	177.4	0	112.7	Y598 N599	Y598-K603 HydrophobicContact CE2-CB 4.41Å; N599-K603 VanDerWaalsContact O-CA 3.29Å; N599-K603 WeakPolarHBondContact O-CA 3.36Å; N599-K603 PolarHBondContact O-N 2.99Å
604	M	97.4	Very high	94.8	Very high	48 Å²	48	46 Å²	46	24%	0.236	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	162.5	-175.7	-66.8	179.8	83.6	0	0	110.7	Y598 N599 L602 L615 V616	Y598-M604 WeakPolarHBondContact CD2-O 3.39Å; N599-M604 PolarHBondContact N-O 2.75Å; N599-M604 PolarHBondContact O-N 3.02Å; L602-M604 VanDerWaalsContact C-N 3.31Å; L602-M604 HydrophobicContact CB-CB 4.45Å; L602-M604 HydrophobicContact CB-CG 4.34Å; L602-M604 HydrophobicContact CB-SD 4.38Å; L602-M604 WeakPolarHBondContact O-CG 3.28Å; L602-M604 PolarHBondContact O-N 3.15Å; M604-L615 HydrophobicContact CB-CB 4Å; M604-L615 HydrophobicContact CB-CD2 4.11Å; M604-L615 HydrophobicContact CB-CG 4.44Å; M604-L615 HydrophobicContact CE-CB 4.21Å; M604-L615 VanDerWaalsContact CE-O 3.23Å; M604-L615 WeakPolarHBondContact CE-O 3.43Å; M604-L615 HydrophobicContact SD-CB 4.26Å; M604-V616 WeakPolarHBondContact CA-O 3.08Å; M604-V616 WeakPolarHBondContact CB-O 2.86Å
605	C	97.3	Very high	95	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146.4	-178.7	-70.9	0	0	0	0	111.1	L597 S607 V616 C618	L597-C605 WeakPolarHBondContact O-CA 3.45Å; C605-S607 PolarHBondContact O-N 3.44Å; C605-V616 PolarHBondContact N-O 2.68Å; C605-V616 PolarHBondContact O-N 3.24Å; C605-C618 HydrophobicContact CB-CB 3.96Å; C605-C618 WeakPolarHBondContact CB-SG 3.32Å; C605-C618 PolarHBondContact N-SG 2.89Å; C605-C618 WeakPolarHBondContact SG-CB 3.4Å; C605-C618 CovalentContact SG-SG 2.05Å; C605-C618 PolarHBondContact SG-SG 3.1Å
606	L	97.4	Very high	95.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	126.9	176.3	-171.6	70.5	0	0	0	110.4	L562 V569 W589 L597 P613 Q625 W627	L562-L606 HydrophobicContact CD2-CD2 4.41Å; V569-L606 HydrophobicContact CB-CD1 4.04Å; V569-L606 HydrophobicContact CG1-CD1 4.39Å; V569-L606 HydrophobicContact CG2-CD1 3.51Å; W589-L606 HydrophobicContact CH2-CD1 4.4Å; W589-L606 HydrophobicContact CZ3-CB 4.07Å; L597-L606 HydrophobicContact CB-CB 4Å; L597-L606 HydrophobicContact CD1-CD2 3.87Å; L597-L606 PolarHBondContact O-N 3.16Å; L606-P613 HydrophobicContact CD1-CB 3.95Å; L606-Q625 WeakPolarHBondContact O-CA 3.22Å; L606-W627 HydrophobicContact CD2-CD2 4.5Å; L606-W627 HydrophobicContact CD2-CH2 4.24Å; L606-W627 HydrophobicContact CD2-CZ2 3.65Å; L606-W627 HydrophobicContact CG-CZ2 3.74Å; L606-W627 PolarHBondContact O-NE1 2.76Å
607	S	96.5	Very high	95.1	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.5	173.3	-177.8	0	0	0	0	111.3	C605 N609 P613 S614	C605-S607 PolarHBondContact O-N 3.44Å; S607-N609 PolarHBondContact O-N 3.1Å; S607-N609 VanDerWaalsContact OG-CB 3.31Å; S607-N609 WeakPolarHBondContact OG-CB 3.24Å; S607-N609 PolarHBondContact OG-N 2.73Å; S607-P613 WeakPolarHBondContact O-CA 3.44Å; S607-S614 PolarHBondContact N-O 3.46Å; S607-S614 PolarHBondContact O-N 3.33Å; S607-S614 VanDerWaalsContact O-N 3.17Å
608	A	95.1	Very high	95.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.267	C	S	.	.			trans	-84.1	7.4	173	0	0	0	0	0	113.1	S511 Q514 M532 L624 W627	S511-A608 WeakPolarHBondContact OG-CB 3.45Å; Q514-A608 PolarHBondContact NE2-O 3.4Å; M532-A608 HydrophobicContact CE-CB 4.11Å; M532-A608 HydrophobicContact SD-CB 4.08Å; A608-L624 HydrophobicContact CB-CD2 4.47Å; A608-L624 WeakPolarHBondContact CB-O 3.27Å; A608-L624 PolarHBondContact N-O 3.27Å; A608-W627 HydrophobicContact CB-CH2 3.57Å; A608-W627 HydrophobicContact CB-CZ2 3.68Å; A608-W627 HydrophobicContact CB-CZ3 4.4Å
609	N	90.7	Very high	95.1	Very high	106 Å²	106	50.2 Å²	50.2	57%	0.567	28%	0.277	S	S	*	.			trans	-73.1	127.7	-177.7	-169.8	27.4	0	0	0	111.8	S607 L624	S607-N609 PolarHBondContact O-N 3.1Å; S607-N609 VanDerWaalsContact OG-CB 3.31Å; S607-N609 WeakPolarHBondContact OG-CB 3.24Å; S607-N609 PolarHBondContact OG-N 2.73Å; N609-L624 HydrophobicContact CB-CD1 3.97Å
610	G	86.9	Confident	94.9	Very high	52 Å²	52	53.3 Å²	53.3	54%	0.536	30%	0.297	S	S	.	.	S	Bend	trans	91.6	-173.2	-176	0	0	0	0	0	113.6
611	E	84.6	Confident	94.9	Very high	149 Å²	149	56.2 Å²	56.2	70%	0.696	32%	0.318	S	S	*	.	S	Bend	trans	-71.7	-35.8	179.8	-174.3	176.8	179.7	0	0	112.3
612	H	93.7	Very high	95	Very high	52 Å²	52	52.7 Å²	52.7	24%	0.241	31%	0.305	C	S	.	.	S	Bend	trans	-116.6	130.3	-177.8	-62.6	-58	0	0	0	110.8	P529 L530 L568 S614	P529-H612 HydrophobicContact CB-CB 4.32Å; L530-H612 PolarHBondContact O-ND1 3.41Å; L568-H612 HydrophobicContact CD1-CB 3.93Å; L568-H612 HydrophobicContact CD2-CB 3.66Å; L568-H612 HydrophobicContact CG-CB 4.31Å; H612-S614 PolarHBondContact O-N 3.35Å
613	P	95.1	Very high	94.9	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.006	31%	0.314	C	S	.	.			trans	-58.7	137.1	174.8	-23	33.5	0	0	0	112	L518 L530 M532 V569 L606 S607	L518-P613 HydrophobicContact CD1-CB 4.15Å; L518-P613 HydrophobicContact CD1-CG 3.51Å; L530-P613 HydrophobicContact CB-CG 4.32Å; L530-P613 WeakPolarHBondContact O-CD 3.46Å; M532-P613 HydrophobicContact CG-CG 4.23Å; M532-P613 HydrophobicContact SD-CG 3.79Å; V569-P613 PolarHBondContact N-O 3.14Å; L606-P613 HydrophobicContact CD1-CB 3.95Å; S607-P613 WeakPolarHBondContact O-CA 3.44Å
614	S	96.1	Very high	94.9	Very high	23 Å²	23	48.1 Å²	48.1	16%	0.161	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	160	-175.1	59.9	0	0	0	0	112	G567 S607 H612	G567-S614 VanDerWaalsContact O-CA 3.31Å; G567-S614 WeakPolarHBondContact O-CA 3.4Å; G567-S614 VanDerWaalsContact O-CB 3.3Å; G567-S614 WeakPolarHBondContact O-CB 3.15Å; S607-S614 PolarHBondContact N-O 3.46Å; S607-S614 PolarHBondContact O-N 3.33Å; S607-S614 VanDerWaalsContact O-N 3.17Å; H612-S614 PolarHBondContact O-N 3.35Å
615	L	96.4	Very high	94.9	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.047	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129.9	173.4	-77.5	177.4	0	0	0	110.9	A564 G567 V569 W589 L602 M604	A564-L615 HydrophobicContact CB-CD1 3.52Å; G567-L615 PolarHBondContact O-N 2.71Å; V569-L615 HydrophobicContact CG2-CD1 4.45Å; V569-L615 HydrophobicContact CG2-CG 3.85Å; W589-L615 HydrophobicContact CH2-CD1 4.35Å; W589-L615 HydrophobicContact CH2-CD2 3.7Å; W589-L615 HydrophobicContact CH2-CG 4.28Å; W589-L615 HydrophobicContact CZ3-CD2 3.82Å; L602-L615 HydrophobicContact CD1-CD1 3.69Å; M604-L615 HydrophobicContact CB-CB 4Å; M604-L615 HydrophobicContact CB-CD2 4.11Å; M604-L615 HydrophobicContact CB-CG 4.44Å; M604-L615 HydrophobicContact CE-CB 4.21Å; M604-L615 VanDerWaalsContact CE-O 3.23Å; M604-L615 WeakPolarHBondContact CE-O 3.43Å; M604-L615 HydrophobicContact SD-CB 4.26Å
616	V	96.1	Very high	94.9	Very high	43 Å²	43	48.8 Å²	48.8	26%	0.261	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	169.3	177.2	-60.3	0	0	0	0	110.9	M604 C605 C618 Q625	M604-V616 WeakPolarHBondContact CA-O 3.08Å; M604-V616 WeakPolarHBondContact CB-O 2.86Å; C605-V616 PolarHBondContact N-O 2.68Å; C605-V616 PolarHBondContact O-N 3.24Å; V616-C618 PolarHBondContact O-N 3.27Å; V616-Q625 HydrophobicContact CG2-CG 4.11Å; V616-Q625 VanDerWaalsContact CG2-NE2 3.29Å
617	S	96.6	Very high	94.9	Very high	97 Å²	97	49.1 Å²	49.1	68%	0.678	29%	0.294	S	S	*	.			trans	-59.3	131.3	171	-61.7	0	0	0	0	110.8	N619 Q625	S617-N619 PolarHBondContact O-N 3.07Å; S617-Q625 PolarHBondContact O-NE2 3.39Å; S617-Q625 VanDerWaalsContact O-NE2 3.12Å; S617-Q625 PolarHBondContact O-OE1 3.29Å
618	C	96.8	Very high	94.7	Very high	50 Å²	50	52.2 Å²	52.2	34%	0.338	31%	0.31	S	S	.	.			trans	-62.2	123.2	-177	-65	0	0	0	0	112.1	L596 Y598 C605 V616	L596-C618 HydrophobicContact CD1-CB 4.41Å; Y598-C618 VanDerWaalsContact CD2-SG 3.58Å; C605-C618 HydrophobicContact CB-CB 3.96Å; C605-C618 WeakPolarHBondContact CB-SG 3.32Å; C605-C618 PolarHBondContact N-SG 2.89Å; C605-C618 WeakPolarHBondContact SG-CB 3.4Å; C605-C618 CovalentContact SG-SG 2.05Å; C605-C618 PolarHBondContact SG-SG 3.1Å; V616-C618 PolarHBondContact O-N 3.27Å
619	N	96.9	Very high	94.6	Very high	73 Å²	73	53.7 Å²	53.7	39%	0.39	32%	0.316	S	S	.	.			trans	-133.2	100.9	175.5	-178.6	2.1	0	0	0	110.1	S617 S621 D622	S617-N619 PolarHBondContact O-N 3.07Å; N619-S621 PolarHBondContact O-N 3.39Å; N619-S621 WeakPolarHBondContact OD1-CB 3.3Å; N619-S621 PolarHBondContact OD1-N 2.93Å; N619-D622 HydrophobicContact CB-CB 4.02Å; N619-D622 WeakPolarHBondContact O-CB 3.34Å; N619-D622 PolarHBondContact O-N 3.23Å
620	P	94.8	Very high	94.2	Very high	64 Å²	64	50 Å²	50	42%	0.416	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.1	179.3	-23.8	33.1	0	0	0	114.9	D594 L596 K626	D594-P620 HydrophobicContact CB-CB 4.45Å; D594-P620 WeakPolarHBondContact OD2-CB 3.38Å; D594-P620 WeakPolarHBondContact OD2-CG 3.47Å; L596-P620 HydrophobicContact CD1-CB 4.45Å; L596-P620 HydrophobicContact CD1-CG 4.06Å; P620-K626 WeakPolarHBondContact O-CE 3.3Å; P620-K626 PolarHBondContact O-NZ 2.81Å
621	S	95.8	Very high	93.8	Very high	100 Å²	100	54 Å²	54	70%	0.699	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-17.6	176.5	-59.1	0	0	0	0	113	N619 P623	N619-S621 PolarHBondContact O-N 3.39Å; N619-S621 WeakPolarHBondContact OD1-CB 3.3Å; N619-S621 PolarHBondContact OD1-N 2.93Å; S621-P623 WeakPolarHBondContact O-CD 3.3Å
622	D	96.9	Very high	92.7	Very high	40 Å²	40	49.4 Å²	49.4	21%	0.214	28%	0.284	C	S	.	.			trans	-79.9	113.8	-178.4	-177.1	-3.9	0	0	0	110.5	N619 L624 Q625	N619-D622 HydrophobicContact CB-CB 4.02Å; N619-D622 WeakPolarHBondContact O-CB 3.34Å; N619-D622 PolarHBondContact O-N 3.23Å; D622-L624 PolarHBondContact O-N 3.07Å; D622-L624 WeakPolarHBondContact OD1-CB 3.34Å; D622-L624 PolarHBondContact OD1-N 3.35Å; D622-Q625 HydrophobicContact CB-CB 4.47Å; D622-Q625 HydrophobicContact CB-CG 4.1Å; D622-Q625 PolarHBondContact O-N 3.46Å; D622-Q625 PolarHBondContact OD2-NE2 2.77Å
623	P	95.6	Very high	90.5	Very high	64 Å²	64	58 Å²	58	42%	0.416	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-67.7	-21.3	-179.4	31.2	-36.8	0	0	0	112.9	G513 S621 Q625 K626	G513-P623 WeakPolarHBondContact CA-O 3.15Å; G513-P623 PolarHBondContact N-O 2.72Å; S621-P623 WeakPolarHBondContact O-CD 3.3Å; P623-Q625 PolarHBondContact O-N 3.18Å; P623-K626 PolarHBondContact O-N 2.71Å
624	L	96.4	Very high	90.3	Very high	38 Å²	38	60.8 Å²	60.8	20%	0.199	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-73.9	-14.6	176.6	-65.9	170.4	0	0	0	112.8	Q514 A608 N609 D622	Q514-L624 HydrophobicContact CG-CD2 4.28Å; A608-L624 HydrophobicContact CB-CD2 4.47Å; A608-L624 WeakPolarHBondContact CB-O 3.27Å; A608-L624 PolarHBondContact N-O 3.27Å; N609-L624 HydrophobicContact CB-CD1 3.97Å; D622-L624 PolarHBondContact O-N 3.07Å; D622-L624 WeakPolarHBondContact OD1-CB 3.34Å; D622-L624 PolarHBondContact OD1-N 3.35Å
625	Q	97.1	Very high	90	Very high	7 Å²	7	62.8 Å²	62.8	3%	0.033	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-93.9	-4.1	173.5	-61.1	-174.5	30	0	0	113.4	L596 L606 V616 S617 D622 P623 W627	L596-Q625 HydrophobicContact CD2-CB 3.56Å; L596-Q625 WeakPolarHBondContact CD2-O 3.34Å; L606-Q625 WeakPolarHBondContact O-CA 3.22Å; V616-Q625 HydrophobicContact CG2-CG 4.11Å; V616-Q625 VanDerWaalsContact CG2-NE2 3.29Å; S617-Q625 PolarHBondContact O-NE2 3.39Å; S617-Q625 VanDerWaalsContact O-NE2 3.12Å; S617-Q625 PolarHBondContact O-OE1 3.29Å; D622-Q625 HydrophobicContact CB-CB 4.47Å; D622-Q625 HydrophobicContact CB-CG 4.1Å; D622-Q625 PolarHBondContact O-N 3.46Å; D622-Q625 PolarHBondContact OD2-NE2 2.77Å; P623-Q625 PolarHBondContact O-N 3.18Å; Q625-W627 PolarHBondContact O-NE1 2.81Å
626	K	97.3	Very high	89.6	Confident	55 Å²	55	65.8 Å²	65.8	24%	0.239	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-94.6	132.3	-179.2	-67.6	-177.9	-178.8	176.7	0	110.8	V512 Q595 P620 P623	V512-K626 HydrophobicContact CB-CB 3.74Å; V512-K626 HydrophobicContact CG1-CB 4.45Å; V512-K626 HydrophobicContact CG2-CB 3.66Å; V512-K626 PolarHBondContact N-O 2.74Å; Q595-K626 HydrophobicContact CB-CB 4.18Å; Q595-K626 HydrophobicContact CB-CG 4.4Å; Q595-K626 WeakPolarHBondContact O-CA 3.21Å; P620-K626 WeakPolarHBondContact O-CE 3.3Å; P620-K626 PolarHBondContact O-NZ 2.81Å; P623-K626 PolarHBondContact O-N 2.71Å
627	W	96.5	Very high	89.2	Confident	7 Å²	7	67.1 Å²	67.1	3%	0.027	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.4	-174.3	-59.6	92.1	0	0	0	111.7	I509 K510 L518 M532 Q595 L597 L606 A608 Q625	I509-W627 HydrophobicContact CG2-CB 4.1Å; I509-W627 HydrophobicContact CG2-CD2 4.12Å; I509-W627 HydrophobicContact CG2-CE3 3.6Å; I509-W627 HydrophobicContact CG2-CG 4.37Å; I509-W627 HydrophobicContact CG2-CZ3 4.27Å; K510-W627 CarbonylContact O-C 3.52Å; K510-W627 WeakPolarHBondContact O-CA 3.22Å; L518-W627 HydrophobicContact CB-CZ3 4.35Å; M532-W627 HydrophobicContact CE-CH2 3.94Å; M532-W627 HydrophobicContact CE-CZ3 3.85Å; M532-W627 HydrophobicContact SD-CH2 3.69Å; M532-W627 HydrophobicContact SD-CZ3 4.11Å; Q595-W627 PolarHBondContact O-N 3.05Å; L597-W627 HydrophobicContact CD1-CB 3.84Å; L597-W627 HydrophobicContact CD1-CD2 4.14Å; L597-W627 HydrophobicContact CD1-CG 3.62Å; L597-W627 HydrophobicContact CG-CB 3.93Å; L597-W627 HydrophobicContact CG-CG 3.9Å; L606-W627 HydrophobicContact CD2-CD2 4.5Å; L606-W627 HydrophobicContact CD2-CH2 4.24Å; L606-W627 HydrophobicContact CD2-CZ2 3.65Å; L606-W627 HydrophobicContact CG-CZ2 3.74Å; L606-W627 PolarHBondContact O-NE1 2.76Å; A608-W627 HydrophobicContact CB-CH2 3.57Å; A608-W627 HydrophobicContact CB-CZ2 3.68Å; A608-W627 HydrophobicContact CB-CZ3 4.4Å; Q625-W627 PolarHBondContact O-NE1 2.81Å
628	I	94	Very high	88.8	Confident	67 Å²	67	65.3 Å²	65.3	34%	0.344	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	115.1	173.5	-52.8	175	0	0	0	107.4	K510 V512 S630	K510-I628 PolarHBondContact N-O 3.09Å; K510-I628 PolarHBondContact O-N 3.47Å; V512-I628 HydrophobicContact CG2-CD1 3.99Å; V512-I628 HydrophobicContact CG2-CG1 3.74Å; I628-S630 VanDerWaalsContact CG2-OG 3.26Å; I628-S630 WeakPolarHBondContact CG2-OG 3.37Å
629	F	91.7	Very high	88.2	Confident	30 Å²	30	66.3 Å²	66.3	13%	0.132	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	108.6	170.2	-147.4	144.1	0	0	0	108.1	I505 Y508 I509 F544 I591	I505-F629 HydrophobicContact CG2-CB 4.15Å; I505-F629 HydrophobicContact CG2-CD1 4.49Å; I505-F629 HydrophobicContact CG2-CD2 3.6Å; I505-F629 HydrophobicContact CG2-CE2 4.12Å; I505-F629 HydrophobicContact CG2-CG 3.82Å; Y508-F629 WeakPolarHBondContact O-CD2 3.24Å; I509-F629 HydrophobicContact CD1-CD1 4.07Å; I509-F629 HydrophobicContact CD1-CE1 3.64Å; I509-F629 HydrophobicContact CD1-CE2 4.49Å; I509-F629 HydrophobicContact CD1-CZ 3.89Å; I509-F629 HydrophobicContact CG1-CD1 3.85Å; I509-F629 HydrophobicContact CG1-CD2 3.97Å; I509-F629 HydrophobicContact CG1-CE1 3.75Å; I509-F629 HydrophobicContact CG1-CE2 3.86Å; I509-F629 HydrophobicContact CG1-CG 3.96Å; I509-F629 HydrophobicContact CG1-CZ 3.76Å; F544-F629 HydrophobicContact CB-CE2 4.24Å; F544-F629 HydrophobicContact CB-CZ 3.66Å; F544-F629 WeakPolarHBondContact O-CE2 3.38Å; F544-F629 WeakPolarHBondContact O-CZ 3.32Å; I591-F629 HydrophobicContact CD1-CD1 4.02Å
630	S	82.3	Confident	87.6	Confident	30 Å²	30	65.8 Å²	65.8	21%	0.21	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149	-176.3	-59.6	0	0	0	0	111	G507 Y508 I628	G507-S630 CarbonylContact C-O 3.59Å; G507-S630 VanDerWaalsContact CA-O 3.27Å; G507-S630 WeakPolarHBondContact CA-O 3.49Å; Y508-S630 PolarHBondContact N-O 2.9Å; Y508-S630 PolarHBondContact O-N 3.16Å; I628-S630 VanDerWaalsContact CG2-OG 3.26Å; I628-S630 WeakPolarHBondContact CG2-OG 3.37Å
631	Q	78.1	Confident	87.1	Confident	134 Å²	134	65.9 Å²	65.9	63%	0.626	36%	0.359	S	S	*	.			trans	-73	149.4	169.7	-63.5	-175.1	-0.8	0	0	109.8	S506	S506-Q631 WeakPolarHBondContact O-CA 3.38Å; S506-Q631 WeakPolarHBondContact O-CG 3.43Å
632	N	63.3	Low	86.3	Confident	53 Å²	53	63.1 Å²	63.1	28%	0.283	33%	0.33	S	S	.	.			trans	-69.3	128.6	164.9	-69.8	-32.3	0	0	0	107.6	Y508	Y508-N632 WeakPolarHBondContact CD1-OD1 3.48Å
633	D	47	Very low	85.4	Confident	232 Å²	232	65.2 Å²	65.2	100%	1.241	34%	0.341	S	S	*	.			trans	-64.2	0	175.1	-79.2	-31.3	0	0	0	113.3

Retrieved 633 of 633 residues in 870.7 ms (Link to these results)

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