A0A3Q0KUR2_SCHMA Loading...

Histone acetyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KUR2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 512 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.3	Very low	33.8	Very low	242 Å²	242	174.6 Å²	174.6	100%	1.192	88%	0.875	S	S	*	*				0	90.8	0	-77	-177.7	169.2	0	0	107.6	R3	M1-R3 PolarHBondContact O-N 3.34Å
2	E	33.6	Very low	33.4	Very low	198 Å²	198	173.8 Å²	173.8	93%	0.925	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-69.9	125.4	-178.6	-70.3	178.6	155	0	0	109.7
3	R	32.6	Very low	33.2	Very low	232 Å²	232	169.5 Å²	169.5	88%	0.875	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-73.2	132.8	178.3	-72.9	179.6	-179.3	178.8	0.4	109	M1 V5	M1-R3 PolarHBondContact O-N 3.34Å; R3-V5 PolarHBondContact O-N 3.47Å
4	P	36	Very low	33.1	Very low	123 Å²	123	171.9 Å²	171.9	80%	0.799	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-68.8	128	-178.9	26.1	-31.2	0	0	0	110.9
5	V	34.7	Very low	33.1	Very low	129 Å²	129	168.5 Å²	168.5	78%	0.782	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-66.8	128.3	176.9	-175.1	0	0	0	0	109.1	R3 F7	R3-V5 PolarHBondContact O-N 3.47Å; V5-F7 PolarHBondContact O-N 2.85Å
6	P	36.1	Very low	33	Very low	117 Å²	117	170.5 Å²	170.5	76%	0.76	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-75.5	125.8	-175.8	28.3	-31.8	0	0	0	111.3	S8	P6-S8 PolarHBondContact O-N 2.7Å
7	F	31.9	Very low	32.9	Very low	209 Å²	209	170.5 Å²	170.5	92%	0.917	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-52.8	121.9	172.3	-95	-97	0	0	0	111.6	V5 R9	V5-F7 PolarHBondContact O-N 2.85Å; F7-R9 PolarHBondContact O-N 2.74Å; F7-R9 VanDerWaalsContact O-N 3.17Å
8	S	31.1	Very low	33.1	Very low	115 Å²	115	173.2 Å²	173.2	80%	0.804	86%	0.86	S	S	*	*			trans	-67.2	108.9	173.6	59.8	0	0	0	0	110.2	P6 S10	P6-S8 PolarHBondContact O-N 2.7Å; S8-S10 PolarHBondContact O-N 2.73Å; S8-S10 VanDerWaalsContact O-N 3.11Å
9	R	32.1	Very low	32.9	Very low	243 Å²	243	174.8 Å²	174.8	92%	0.917	86%	0.861	S	S	*	*			trans	-60.7	111.4	169.8	-80.3	178.7	171.5	173.2	-2.8	109.7	F7 K11	F7-R9 PolarHBondContact O-N 2.74Å; F7-R9 VanDerWaalsContact O-N 3.17Å; R9-K11 PolarHBondContact O-N 2.71Å
10	S	31.7	Very low	33.1	Very low	112 Å²	112	169.7 Å²	169.7	78%	0.783	84%	0.84	S	S	*	*			trans	-58.5	126.3	167.2	48.3	0	0	0	0	109.3	S8 L12	S8-S10 PolarHBondContact O-N 2.73Å; S8-S10 VanDerWaalsContact O-N 3.11Å; S10-L12 PolarHBondContact O-N 3.43Å
11	K	32.3	Very low	33.1	Very low	201 Å²	201	164.9 Å²	164.9	87%	0.874	82%	0.823	S	S	*	*			trans	-71.1	110.5	178.4	-71.9	176.4	177.8	172.8	0	108.7	R9	R9-K11 PolarHBondContact O-N 2.71Å
12	L	29	Very low	32.7	Very low	164 Å²	164	162.2 Å²	162.2	86%	0.859	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-54.7	131.8	166.6	-83.5	151	0	0	0	109.9	S10 K14	S10-L12 PolarHBondContact O-N 3.43Å; L12-K14 PolarHBondContact O-N 3.38Å
13	P	30.1	Very low	32.8	Very low	119 Å²	119	156.6 Å²	156.6	77%	0.773	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-68.9	127.4	-178.4	20.4	-21.8	0	0	0	110.5	S15	P13-S15 PolarHBondContact O-N 2.88Å
14	K	31.4	Very low	33.3	Very low	203 Å²	203	149 Å²	149	88%	0.883	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-58.6	124.7	175.4	-68	-178.8	176.9	-179.3	0	109.3	L12 K16	L12-K14 PolarHBondContact O-N 3.38Å; K14-K16 PolarHBondContact O-N 2.87Å
15	S	34.1	Very low	33.5	Very low	120 Å²	120	149.8 Å²	149.8	84%	0.839	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-56.4	124.1	179.6	58.2	0	0	0	0	111	P13	P13-S15 PolarHBondContact O-N 2.88Å
16	K	31.3	Very low	33.6	Very low	201 Å²	201	148.4 Å²	148.4	87%	0.874	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-70.3	135.2	179.6	-78.3	179	175.5	176.3	0	110.6	K14	K14-K16 PolarHBondContact O-N 2.87Å
17	H	30.4	Very low	33.9	Very low	171 Å²	171	150.9 Å²	150.9	79%	0.792	74%	0.736	S	S	*	*			trans	-9.6	113.1	171.9	-70.7	-93.5	0	0	0	117.7	F19	H17-F19 PolarHBondContact O-N 3.21Å; H17-F19 VanDerWaalsContact O-N 3.17Å
18	R	36.6	Very low	34.2	Very low	219 Å²	219	144.7 Å²	144.7	83%	0.826	71%	0.71	S	S	*	*			trans	-70.7	98.2	169.2	-132.3	177.2	-178.2	179.3	0.6	109.3	V20	R18-V20 HydrophobicContact CB-CG2 4.29Å; R18-V20 HydrophobicContact CG-CG2 4.24Å; R18-V20 PolarHBondContact O-N 3.25Å
19	F	30.3	Very low	34.7	Very low	204 Å²	204	146 Å²	146	90%	0.895	70%	0.701	S	S	*	*			trans	-71.7	95.5	166.8	-80.6	-86.3	0	0	0	109	H17	H17-F19 PolarHBondContact O-N 3.21Å; H17-F19 VanDerWaalsContact O-N 3.17Å
20	V	35.8	Very low	35	Very low	71 Å²	71	141.8 Å²	141.8	43%	0.43	69%	0.69	S	S	.	*			trans	-94.8	111.9	174.7	-178.1	0	0	0	0	108.4	R18 V24 K25	R18-V20 HydrophobicContact CB-CG2 4.29Å; R18-V20 HydrophobicContact CG-CG2 4.24Å; R18-V20 PolarHBondContact O-N 3.25Å; V20-V24 HydrophobicContact CG1-CB 4.08Å; V20-V24 HydrophobicContact CG1-CG1 4.11Å; V20-K25 HydrophobicContact CG1-CG 4.24Å
21	S	33.8	Very low	35.3	Very low	69 Å²	69	142.1 Å²	142.1	48%	0.483	68%	0.677	S	S	.	*			trans	-52.7	138	173.5	159.4	0	0	0	0	111.5	S23 V24 K25	S21-S23 PolarHBondContact O-N 3.43Å; S21-S23 PolarHBondContact OG-N 2.65Å; S21-V24 WeakPolarHBondContact O-CA 3.35Å; S21-V24 WeakPolarHBondContact O-CB 3.12Å; S21-V24 PolarHBondContact O-N 2.91Å; S21-K25 PolarHBondContact O-N 2.96Å
22	W	32.8	Very low	35.5	Very low	186 Å²	186	136.6 Å²	136.6	71%	0.705	66%	0.657	S	S	*	*	H	α-helix	trans	-57.3	-32.7	-177.6	-164.8	85	0	0	0	113	V24 K25 Q26	W22-V24 VanDerWaalsContact C-N 3.34Å; W22-V24 PolarHBondContact O-N 3.37Å; W22-K25 WeakPolarHBondContact O-CB 3.39Å; W22-K25 PolarHBondContact O-N 2.84Å; W22-Q26 HydrophobicContact CE3-CG 4.42Å; W22-Q26 HydrophobicContact CZ3-CG 4.31Å; W22-Q26 PolarHBondContact O-N 3.18Å
23	S	34.8	Very low	35.9	Very low	80 Å²	80	134.2 Å²	134.2	56%	0.559	64%	0.642	S	S	*	*	H	α-helix	trans	-66.9	-33.8	175.4	-49	0	0	0	0	112.6	S21 Q26 K27	S21-S23 PolarHBondContact O-N 3.43Å; S21-S23 PolarHBondContact OG-N 2.65Å; S23-Q26 PolarHBondContact O-N 2.82Å; S23-K27 PolarHBondContact O-N 3.19Å; S23-K27 VanDerWaalsContact O-N 3.13Å
24	V	43	Very low	36.2	Very low	73 Å²	73	131.2 Å²	131.2	44%	0.442	63%	0.627	S	S	.	*	H	α-helix	trans	-69.3	-40.3	173.4	-179	0	0	0	0	109.6	V20 S21 W22 Q26 K27 Q28	V20-V24 HydrophobicContact CG1-CB 4.08Å; V20-V24 HydrophobicContact CG1-CG1 4.11Å; S21-V24 WeakPolarHBondContact O-CA 3.35Å; S21-V24 WeakPolarHBondContact O-CB 3.12Å; S21-V24 PolarHBondContact O-N 2.91Å; W22-V24 VanDerWaalsContact C-N 3.34Å; W22-V24 PolarHBondContact O-N 3.37Å; V24-Q26 PolarHBondContact O-N 2.98Å; V24-K27 PolarHBondContact O-N 3.45Å; V24-Q28 VanDerWaalsContact O-CB 3.3Å; V24-Q28 WeakPolarHBondContact O-CB 3.08Å; V24-Q28 PolarHBondContact O-N 2.83Å
25	K	40.6	Very low	36.3	Very low	140 Å²	140	125.6 Å²	125.6	61%	0.609	61%	0.606	S	S	*	*	H	α-helix	trans	-59.9	-41	173.6	-96.3	-176.1	177.7	178.2	0	112.8	V20 S21 W22 Q28 K29	V20-K25 HydrophobicContact CG1-CG 4.24Å; S21-K25 PolarHBondContact O-N 2.96Å; W22-K25 WeakPolarHBondContact O-CB 3.39Å; W22-K25 PolarHBondContact O-N 2.84Å; K25-Q28 PolarHBondContact O-N 3Å; K25-K29 VanDerWaalsContact O-CB 3.28Å; K25-K29 WeakPolarHBondContact O-CB 3.41Å; K25-K29 PolarHBondContact O-N 3.36Å
26	Q	36.6	Very low	36.3	Very low	99 Å²	99	123.4 Å²	123.4	46%	0.463	59%	0.591	S	S	.	*	H	α-helix	trans	-69	-41.7	177.5	-78.9	-155.6	-10.9	0	0	112.8	W22 S23 V24 Q28 K29 K30	W22-Q26 HydrophobicContact CE3-CG 4.42Å; W22-Q26 HydrophobicContact CZ3-CG 4.31Å; W22-Q26 PolarHBondContact O-N 3.18Å; S23-Q26 PolarHBondContact O-N 2.82Å; V24-Q26 PolarHBondContact O-N 2.98Å; Q26-Q28 VanDerWaalsContact C-N 3.35Å; Q26-K29 PolarHBondContact O-N 3.16Å; Q26-K30 PolarHBondContact O-N 3.26Å
27	K	41.9	Very low	36.6	Very low	169 Å²	169	117.1 Å²	117.1	74%	0.735	58%	0.576	S	S	*	*	H	α-helix	trans	-62.6	-42.2	172.4	-89.2	-175.2	174.7	-178.4	0	111.3	S23 V24 K29 K30 F31	S23-K27 PolarHBondContact O-N 3.19Å; S23-K27 VanDerWaalsContact O-N 3.13Å; V24-K27 PolarHBondContact O-N 3.45Å; K27-K29 VanDerWaalsContact C-N 3.32Å; K27-K29 PolarHBondContact O-N 3.5Å; K27-K30 PolarHBondContact O-N 2.82Å; K27-F31 WeakPolarHBondContact O-CB 3.4Å; K27-F31 PolarHBondContact O-N 3.1Å
28	Q	39.5	Very low	36.7	Very low	79 Å²	79	115.5 Å²	115.5	37%	0.369	57%	0.573	S	S	.	*	H	α-helix	trans	-64.1	-35.6	174.4	-151.3	92.3	28.6	0	0	111.7	V24 K25 Q26 N32	V24-Q28 VanDerWaalsContact O-CB 3.3Å; V24-Q28 WeakPolarHBondContact O-CB 3.08Å; V24-Q28 PolarHBondContact O-N 2.83Å; K25-Q28 PolarHBondContact O-N 3Å; Q26-Q28 VanDerWaalsContact C-N 3.35Å; Q28-N32 WeakPolarHBondContact O-CA 3.21Å; Q28-N32 WeakPolarHBondContact O-CB 2.94Å; Q28-N32 PolarHBondContact O-N 3.38Å; Q28-N32 PolarHBondContact O-ND2 2.89Å; Q28-N32 PolarHBondContact O-OD1 3.43Å
29	K	40	Very low	36.4	Very low	143 Å²	143	108.4 Å²	108.4	62%	0.622	56%	0.558	S	S	*	*	H	α-helix	trans	-72	-41.9	178.6	-156.7	177.4	-173.2	-176.3	0	111.5	K25 Q26 K27 Q33	K25-K29 VanDerWaalsContact O-CB 3.28Å; K25-K29 WeakPolarHBondContact O-CB 3.41Å; K25-K29 PolarHBondContact O-N 3.36Å; Q26-K29 PolarHBondContact O-N 3.16Å; K27-K29 VanDerWaalsContact C-N 3.32Å; K27-K29 PolarHBondContact O-N 3.5Å; K29-Q33 VanDerWaalsContact O-CB 3.29Å; K29-Q33 WeakPolarHBondContact O-CB 2.94Å; K29-Q33 VanDerWaalsContact O-CG 3.25Å; K29-Q33 WeakPolarHBondContact O-CG 3.4Å; K29-Q33 PolarHBondContact O-N 3.14Å
30	K	39.3	Very low	36.4	Very low	155 Å²	155	102.7 Å²	102.7	67%	0.674	54%	0.543	S	S	*	.	H	α-helix	trans	-66.8	-37.9	171.8	-77.7	-172.1	174.7	-176.3	0	112	Q26 K27 Q33 A34	Q26-K30 PolarHBondContact O-N 3.26Å; K27-K30 PolarHBondContact O-N 2.82Å; K30-Q33 PolarHBondContact O-N 2.63Å; K30-A34 WeakPolarHBondContact O-CB 3.42Å; K30-A34 PolarHBondContact O-N 3.28Å
31	F	38.3	Very low	36.4	Very low	118 Å²	118	104.6 Å²	104.6	52%	0.518	55%	0.55	S	S	.	*	H	α-helix	trans	-69.2	-40.7	175.4	-174	-107.2	0	0	0	111.8	K27 Q33 A34 L35	K27-F31 WeakPolarHBondContact O-CB 3.4Å; K27-F31 PolarHBondContact O-N 3.1Å; F31-Q33 VanDerWaalsContact C-N 3.33Å; F31-A34 CarbonylContact O-C 3.51Å; F31-A34 PolarHBondContact O-N 2.94Å; F31-L35 HydrophobicContact CD1-CD1 3.52Å; F31-L35 HydrophobicContact CD1-CG 4.32Å; F31-L35 HydrophobicContact CE1-CD1 3.29Å; F31-L35 HydrophobicContact CE1-CG 4.11Å; F31-L35 HydrophobicContact CG-CD1 4.37Å; F31-L35 HydrophobicContact CZ-CD1 3.95Å; F31-L35 HydrophobicContact CZ-CG 4.33Å; F31-L35 WeakPolarHBondContact O-CB 3.37Å; F31-L35 WeakPolarHBondContact O-CG 3.44Å; F31-L35 PolarHBondContact O-N 2.84Å
32	N	35.4	Very low	36.7	Very low	85 Å²	85	107.5 Å²	107.5	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-69.7	-31.1	173.7	-71.3	-5.3	0	0	0	111.6	Q28 S36	Q28-N32 WeakPolarHBondContact O-CA 3.21Å; Q28-N32 WeakPolarHBondContact O-CB 2.94Å; Q28-N32 PolarHBondContact O-N 3.38Å; Q28-N32 PolarHBondContact O-ND2 2.89Å; Q28-N32 PolarHBondContact O-OD1 3.43Å; N32-S36 WeakPolarHBondContact O-CB 2.99Å; N32-S36 PolarHBondContact O-N 2.83Å; N32-S36 PolarHBondContact O-OG 3.33Å
33	Q	37.6	Very low	37.2	Very low	115 Å²	115	101.2 Å²	101.2	54%	0.537	54%	0.542	S	S	.	.	H	α-helix	trans	-70	-40.6	171.3	-80.2	173.8	-10.6	0	0	111.7	K29 K30 F31 S36 A37	K29-Q33 VanDerWaalsContact O-CB 3.29Å; K29-Q33 WeakPolarHBondContact O-CB 2.94Å; K29-Q33 VanDerWaalsContact O-CG 3.25Å; K29-Q33 WeakPolarHBondContact O-CG 3.4Å; K29-Q33 PolarHBondContact O-N 3.14Å; K30-Q33 PolarHBondContact O-N 2.63Å; F31-Q33 VanDerWaalsContact C-N 3.33Å; Q33-S36 VanDerWaalsContact CA-OG 3.27Å; Q33-S36 WeakPolarHBondContact CA-OG 3.46Å; Q33-S36 PolarHBondContact O-N 3.46Å; Q33-S36 PolarHBondContact O-OG 3.13Å; Q33-A37 PolarHBondContact O-N 3.36Å
34	A	36.1	Very low	38	Very low	55 Å²	55	104.4 Å²	104.4	46%	0.455	55%	0.552	S	S	.	*	H	α-helix	trans	-66.5	-37.6	172.2	0	0	0	0	0	112	K30 F31 A37 N38	K30-A34 WeakPolarHBondContact O-CB 3.42Å; K30-A34 PolarHBondContact O-N 3.28Å; F31-A34 CarbonylContact O-C 3.51Å; F31-A34 PolarHBondContact O-N 2.94Å; A34-A37 PolarHBondContact O-N 3.13Å; A34-N38 PolarHBondContact O-N 3.44Å; A34-N38 VanDerWaalsContact O-N 3.14Å
35	L	34.2	Very low	39	Very low	85 Å²	85	105.2 Å²	105.2	45%	0.445	55%	0.554	S	S	.	*	H	α-helix	trans	-67.8	-35.6	171.8	-80.1	167.1	0	0	0	111.7	F31 A37 N38 S39	F31-L35 HydrophobicContact CD1-CD1 3.52Å; F31-L35 HydrophobicContact CD1-CG 4.32Å; F31-L35 HydrophobicContact CE1-CD1 3.29Å; F31-L35 HydrophobicContact CE1-CG 4.11Å; F31-L35 HydrophobicContact CG-CD1 4.37Å; F31-L35 HydrophobicContact CZ-CD1 3.95Å; F31-L35 HydrophobicContact CZ-CG 4.33Å; F31-L35 WeakPolarHBondContact O-CB 3.37Å; F31-L35 WeakPolarHBondContact O-CG 3.44Å; F31-L35 PolarHBondContact O-N 2.84Å; L35-A37 VanDerWaalsContact C-N 3.28Å; L35-A37 PolarHBondContact O-N 3.38Å; L35-N38 CarbonylContact O-C 3.59Å; L35-N38 PolarHBondContact O-N 2.63Å; L35-S39 VanDerWaalsContact O-CB 3.23Å; L35-S39 WeakPolarHBondContact O-CB 3.29Å; L35-S39 PolarHBondContact O-N 2.82Å
36	S	34.1	Very low	40.5	Very low	75 Å²	75	99.2 Å²	99.2	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-70.1	-26.3	174.1	63.7	0	0	0	0	112.8	N32 Q33 N38 S39	N32-S36 WeakPolarHBondContact O-CB 2.99Å; N32-S36 PolarHBondContact O-N 2.83Å; N32-S36 PolarHBondContact O-OG 3.33Å; Q33-S36 VanDerWaalsContact CA-OG 3.27Å; Q33-S36 WeakPolarHBondContact CA-OG 3.46Å; Q33-S36 PolarHBondContact O-N 3.46Å; Q33-S36 PolarHBondContact O-OG 3.13Å; S36-N38 VanDerWaalsContact C-N 3.33Å; S36-S39 PolarHBondContact O-OG 2.84Å
37	A	36.8	Very low	42.1	Very low	68 Å²	68	95.1 Å²	95.1	56%	0.562	51%	0.512	S	S	*	.	H	α-helix	trans	-72.5	-29.1	170.7	0	0	0	0	0	111.9	Q33 A34 L35	Q33-A37 PolarHBondContact O-N 3.36Å; A34-A37 PolarHBondContact O-N 3.13Å; L35-A37 VanDerWaalsContact C-N 3.28Å; L35-A37 PolarHBondContact O-N 3.38Å
38	N	32.8	Very low	43.8	Very low	137 Å²	137	87.3 Å²	87.3	73%	0.733	48%	0.478	S	S	*	.	H	α-helix	trans	-101.4	0.9	178.4	-77.1	0.1	0	0	0	114.6	A34 L35 S36 S40	A34-N38 PolarHBondContact O-N 3.44Å; A34-N38 VanDerWaalsContact O-N 3.14Å; L35-N38 CarbonylContact O-C 3.59Å; L35-N38 PolarHBondContact O-N 2.63Å; S36-N38 VanDerWaalsContact C-N 3.33Å; N38-S40 PolarHBondContact O-N 2.95Å
39	S	29.8	Very low	45.5	Very low	71 Å²	71	88 Å²	88	50%	0.497	48%	0.483	S	S	.	.			trans	-84.5	9.9	-179.4	69.2	0	0	0	0	113.8	L35 S36 N41	L35-S39 VanDerWaalsContact O-CB 3.23Å; L35-S39 WeakPolarHBondContact O-CB 3.29Å; L35-S39 PolarHBondContact O-N 2.82Å; S36-S39 PolarHBondContact O-OG 2.84Å; S39-N41 VanDerWaalsContact C-N 3.25Å; S39-N41 PolarHBondContact O-N 3.31Å
40	S	30.9	Very low	47.3	Very low	83 Å²	83	84.1 Å²	84.1	58%	0.58	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	5.9	-172.8	52.7	0	0	0	0	115.8	N38	N38-S40 PolarHBondContact O-N 2.95Å
41	N	36.2	Very low	49.4	Very low	111 Å²	111	77.8 Å²	77.8	59%	0.594	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	18.1	-172.8	-72.3	-4.4	0	0	0	115.5	S39 P43	S39-N41 VanDerWaalsContact C-N 3.25Å; S39-N41 PolarHBondContact O-N 3.31Å; N41-P43 WeakPolarHBondContact O-CD 3.37Å
42	I	39.3	Very low	51.3	Low	131 Å²	131	75.1 Å²	75.1	67%	0.672	46%	0.455	S	S	*	.			trans	-85.3	116.6	170.3	-56.5	175	0	0	0	108.6	L44	I42-L44 PolarHBondContact O-N 3.38Å; I42-L44 VanDerWaalsContact O-N 3.11Å
43	P	43.4	Very low	53.2	Low	53 Å²	53	71.5 Å²	71.5	34%	0.344	44%	0.438	S	S	.	.			trans	-65	113.5	175.8	-8.2	21.5	0	0	0	109.3	N41 N45 Q119	N41-P43 WeakPolarHBondContact O-CD 3.37Å; P43-N45 PolarHBondContact O-N 3.11Å; P43-Q119 HydrophobicContact CB-CG 4.17Å; P43-Q119 HydrophobicContact CG-CG 4.08Å
44	L	53	Low	55	Low	147 Å²	147	68.5 Å²	68.5	77%	0.77	42%	0.424	S	S	*	.			trans	-76.8	9.4	172.5	-72.9	167	0	0	0	113.1	I42 V65	I42-L44 PolarHBondContact O-N 3.38Å; I42-L44 VanDerWaalsContact O-N 3.11Å; L44-V65 WeakPolarHBondContact O-CG1 3.12Å
45	N	64.3	Low	57.1	Low	91 Å²	91	65.9 Å²	65.9	49%	0.487	40%	0.403	S	S	.	.	S	Bend	trans	-134.5	146.6	-171.1	-64.6	-20.1	0	0	0	111.3	P43	P43-N45 PolarHBondContact O-N 3.11Å
46	C	70.6	Confident	59.3	Low	13 Å²	13	62.4 Å²	62.4	9%	0.088	38%	0.384	C	S	.	.			trans	-57.1	132.9	171	-173.9	0	0	0	0	111.2	L48 C51 H64 C70	C46-L48 VanDerWaalsContact C-N 3.28Å; C46-L48 PolarHBondContact O-N 3.45Å; C46-L48 PolarHBondContact SG-N 2.97Å; C46-C51 HydrophobicContact CB-CB 4.13Å; C46-H64 VanDerWaalsContact CB-NE2 3.35Å; C46-H64 WeakPolarHBondContact CB-NE2 3.32Å; C46-H64 PolarHBondContact SG-NE2 3Å; C46-H64 VanDerWaalsContact SG-NE2 3.38Å; C46-C70 VanDerWaalsContact SG-SG 3.69Å
47	P	71	Confident	61.5	Low	14 Å²	14	59 Å²	59	9%	0.091	36%	0.361	C	S	.	.			trans	-80	-5.2	177.7	34.4	-39.5	0	0	0	113.9	I49 L67 F120 K121 T122 H159	P47-I49 PolarHBondContact O-N 3.39Å; P47-I49 VanDerWaalsContact O-N 3.16Å; P47-L67 HydrophobicContact CG-CD1 4.49Å; P47-L67 HydrophobicContact CG-CD2 4.11Å; P47-L67 HydrophobicContact CG-CG 3.98Å; P47-F120 WeakPolarHBondContact CB-O 3.31Å; P47-K121 WeakPolarHBondContact O-CA 3.38Å; P47-T122 PolarHBondContact O-N 3.05Å; P47-H159 WeakPolarHBondContact CD-CE1 3.3Å; P47-H159 WeakPolarHBondContact CD-NE2 3.25Å; P47-H159 WeakPolarHBondContact CG-CE1 3.48Å; P47-H159 WeakPolarHBondContact CG-NE2 3.11Å
48	L	77.5	Confident	63.4	Low	4 Å²	4	57.6 Å²	57.6	2%	0.021	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-64.6	116.5	170.6	-177.6	66.8	0	0	0	108.6	C46 G50 C51 L67 L72 Y73 T122 R125	C46-L48 VanDerWaalsContact C-N 3.28Å; C46-L48 PolarHBondContact O-N 3.45Å; C46-L48 PolarHBondContact SG-N 2.97Å; L48-G50 PolarHBondContact O-N 3.33Å; L48-C51 HydrophobicContact CB-CB 3.85Å; L48-C51 HydrophobicContact CD2-CB 4.18Å; L48-C51 HydrophobicContact CG-CB 4.22Å; L48-C51 WeakPolarHBondContact O-CB 3.44Å; L48-C51 PolarHBondContact O-N 3.46Å; L48-L67 HydrophobicContact CB-CD2 3.68Å; L48-L72 HydrophobicContact CD2-CB 3.68Å; L48-Y73 HydrophobicContact CD1-CD2 4.4Å; L48-T122 HydrophobicContact CD1-CG2 4.34Å; L48-R125 HydrophobicContact CD1-CG 4.26Å
49	I	75.2	Confident	65.5	Low	95 Å²	95	51.2 Å²	51.2	49%	0.487	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	126.9	179.7	-67.4	167	0	0	0	109	P47 C51 K121 T122 T123	P47-I49 PolarHBondContact O-N 3.39Å; P47-I49 VanDerWaalsContact O-N 3.16Å; I49-C51 VanDerWaalsContact C-N 3.34Å; I49-K121 HydrophobicContact CD1-CB 3.91Å; I49-K121 HydrophobicContact CG1-CB 3.89Å; I49-K121 HydrophobicContact CG1-CD 4.4Å; I49-T122 PolarHBondContact N-O 3.48Å; I49-T123 HydrophobicContact CB-CG2 4.17Å; I49-T123 HydrophobicContact CD1-CG2 3.61Å; I49-T123 HydrophobicContact CG1-CG2 4.43Å; I49-T123 HydrophobicContact CG2-CG2 4.46Å
50	G	78.5	Confident	67.7	Low	61 Å²	61	55.8 Å²	55.8	63%	0.629	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-4.2	-175.9	0	0	0	0	0	114.6	L48	L48-G50 PolarHBondContact O-N 3.33Å
51	C	81.6	Confident	69.7	Low	21 Å²	21	54.3 Å²	54.3	14%	0.142	30%	0.302	C	S	.	.			trans	-79.3	135.9	171	-168.7	0	0	0	0	111.4	C46 L48 I49 G53 H64 C70 L72	C46-C51 HydrophobicContact CB-CB 4.13Å; L48-C51 HydrophobicContact CB-CB 3.85Å; L48-C51 HydrophobicContact CD2-CB 4.18Å; L48-C51 HydrophobicContact CG-CB 4.22Å; L48-C51 WeakPolarHBondContact O-CB 3.44Å; L48-C51 PolarHBondContact O-N 3.46Å; I49-C51 VanDerWaalsContact C-N 3.34Å; C51-G53 VanDerWaalsContact C-N 3.34Å; C51-G53 PolarHBondContact SG-N 3.28Å; C51-G53 VanDerWaalsContact SG-N 3.4Å; C51-H64 PolarHBondContact SG-CE1 3.08Å; C51-H64 PolarHBondContact SG-NE2 3.01Å; C51-C70 PolarHBondContact SG-SG 3.46Å; C51-L72 HydrophobicContact CB-CD1 4.28Å
52	S	78.2	Confident	71.6	Confident	63 Å²	63	53.1 Å²	53.1	44%	0.441	30%	0.299	S	S	.	.			trans	-84.5	-5.6	175.5	56.4	0	0	0	0	113.8	I54	S52-I54 PolarHBondContact O-N 2.94Å; S52-I54 WeakPolarHBondContact OG-CG1 3.43Å
53	G	75.7	Confident	73.2	Confident	9 Å²	9	49.8 Å²	49.8	9%	0.093	29%	0.291	C	S	.	.			trans	73.7	4.5	-171.7	0	0	0	0	0	114	C51 A63 H64	C51-G53 VanDerWaalsContact C-N 3.34Å; C51-G53 PolarHBondContact SG-N 3.28Å; C51-G53 VanDerWaalsContact SG-N 3.4Å; G53-A63 CarbonylContact O-C 3.36Å; G53-A63 WeakPolarHBondContact O-CA 3.28Å; G53-H64 VanDerWaalsContact C-CE1 3.46Å; G53-H64 VanDerWaalsContact CA-CE1 3.47Å; G53-H64 WeakPolarHBondContact CA-CE1 3.44Å; G53-H64 PolarHBondContact O-N 3.45Å; G53-H64 PolarHBondContact O-ND1 2.94Å
54	I	76.9	Confident	74.7	Confident	51 Å²	51	47.7 Å²	47.7	26%	0.262	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-85.1	138.1	-176.9	-61.5	173.1	0	0	0	110.7	S52 I100	S52-I54 PolarHBondContact O-N 2.94Å; S52-I54 WeakPolarHBondContact OG-CG1 3.43Å; I54-I100 HydrophobicContact CG2-CG2 3.4Å; I54-I100 VanDerWaalsContact CG2-CG2 3.4Å
55	G	78.5	Confident	75.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	77	169.3	-179.3	0	0	0	0	0	113.1	D61 T62 A63 H64	G55-D61 CarbonylContact C-O 3.59Å; G55-T62 VanDerWaalsContact N-C 3.33Å; G55-T62 PolarHBondContact N-O 3.21Å; G55-A63 CarbonylContact O-C 3.52Å; G55-H64 PolarHBondContact O-ND1 3.48Å
56	H	81.1	Confident	75.7	Confident	12 Å²	12	39.5 Å²	39.5	6%	0.056	24%	0.235	C	C	.	.			trans	-142	151.1	177.7	-169.5	-88.9	0	0	0	110	N58 G59 D61 G69 Q146	H56-N58 PolarHBondContact ND1-N 2.97Å; H56-N58 PolarHBondContact ND1-ND2 2.92Å; H56-N58 PolarHBondContact ND1-OD1 3.01Å; H56-N58 VanDerWaalsContact ND1-OD1 3.16Å; H56-N58 PolarHBondContact O-N 3.34Å; H56-N58 VanDerWaalsContact O-N 3.14Å; H56-G59 PolarHBondContact O-N 3.19Å; H56-D61 HydrophobicContact CB-CB 3.66Å; H56-D61 WeakPolarHBondContact CB-O 3.35Å; H56-D61 PolarHBondContact N-O 3.34Å; H56-G69 WeakPolarHBondContact CA-O 3.21Å; H56-G69 WeakPolarHBondContact NE2-CA 3.27Å; H56-Q146 PolarHBondContact CE1-OE1 2.88Å
57	I	80.2	Confident	75.8	Confident	5 Å²	5	38.9 Å²	38.9	3%	0.026	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.9	-176.5	-156.3	-178.5	0	0	0	113.1	G59 S68 G69 H74 W81 R142 Q146	I57-G59 PolarHBondContact O-N 2.99Å; I57-G59 VanDerWaalsContact O-N 3.15Å; I57-S68 WeakPolarHBondContact CG2-O 3.43Å; I57-G69 PolarHBondContact N-O 3.08Å; I57-H74 HydrophobicContact CD1-CB 3.97Å; I57-H74 WeakPolarHBondContact CD1-CD2 3.36Å; I57-W81 HydrophobicContact CD1-CH2 3.81Å; I57-W81 HydrophobicContact CD1-CZ2 3.77Å; I57-W81 HydrophobicContact CD1-CZ3 4.22Å; I57-W81 HydrophobicContact CG1-CD2 3.63Å; I57-W81 VanDerWaalsContact CG1-CE2 3.43Å; I57-W81 HydrophobicContact CG1-CE3 3.7Å; I57-W81 HydrophobicContact CG1-CG 4.46Å; I57-W81 HydrophobicContact CG1-CH2 3.59Å; I57-W81 HydrophobicContact CG1-CZ2 3.42Å; I57-W81 VanDerWaalsContact CG1-CZ2 3.42Å; I57-W81 HydrophobicContact CG1-CZ3 3.66Å; I57-R142 HydrophobicContact CD1-CB 4.04Å; I57-R142 HydrophobicContact CD1-CG 4.26Å; I57-Q146 HydrophobicContact CG2-CG 3.74Å
58	N	76.7	Confident	76	Confident	38 Å²	38	39.1 Å²	39.1	20%	0.203	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-6.1	175.9	69.3	5.1	0	0	0	113.4	H56 R60 D61 R85	H56-N58 PolarHBondContact ND1-N 2.97Å; H56-N58 PolarHBondContact ND1-ND2 2.92Å; H56-N58 PolarHBondContact ND1-OD1 3.01Å; H56-N58 VanDerWaalsContact ND1-OD1 3.16Å; H56-N58 PolarHBondContact O-N 3.34Å; H56-N58 VanDerWaalsContact O-N 3.14Å; N58-R60 PolarHBondContact O-N 2.99Å; N58-R60 PolarHBondContact OD1-N 3.03Å; N58-D61 PolarHBondContact ND2-OD2 3.21Å; N58-D61 PolarHBondContact OD1-N 2.91Å; N58-R85 WeakPolarHBondContact O-CD 3.36Å
59	G	77.2	Confident	76	Confident	2 Å²	2	38.9 Å²	38.9	2%	0.021	23%	0.232	C	C	.	.	S	Bend	trans	66.9	15.3	-179.1	0	0	0	0	0	114	H56 I57	H56-G59 PolarHBondContact O-N 3.19Å; I57-G59 PolarHBondContact O-N 2.99Å; I57-G59 VanDerWaalsContact O-N 3.15Å
60	R	75.7	Confident	76.4	Confident	167 Å²	167	34.4 Å²	34.4	63%	0.63	21%	0.209	S	C	*	.	S	Bend	trans	-119.6	-51.3	-178.3	-178.1	178.5	-179.6	-179.9	-0.1	111.7	N58	N58-R60 PolarHBondContact O-N 2.99Å; N58-R60 PolarHBondContact OD1-N 3.03Å
61	D	73.2	Confident	76.8	Confident	52 Å²	52	31.7 Å²	31.7	28%	0.278	18%	0.18	S	C	.	.			trans	-80.9	141	-172.8	-55.2	-38.6	0	0	0	110.4	G55 H56 N58 A63 F78	G55-D61 CarbonylContact C-O 3.59Å; H56-D61 HydrophobicContact CB-CB 3.66Å; H56-D61 WeakPolarHBondContact CB-O 3.35Å; H56-D61 PolarHBondContact N-O 3.34Å; N58-D61 PolarHBondContact ND2-OD2 3.21Å; N58-D61 PolarHBondContact OD1-N 2.91Å; D61-A63 VanDerWaalsContact C-N 3.3Å; D61-F78 WeakPolarHBondContact O-CE2 3.32Å
62	T	75.8	Confident	77	Confident	87 Å²	87	33.4 Å²	33.4	53%	0.534	19%	0.188	S	C	.	.	S	Bend	trans	-86.5	-3.7	-173.7	55.7	0	0	0	0	113.2	G55 I100	G55-T62 VanDerWaalsContact N-C 3.33Å; G55-T62 PolarHBondContact N-O 3.21Å; T62-I100 HydrophobicContact CG2-CD1 4.25Å
63	A	73.8	Confident	77.3	Confident	61 Å²	61	31.4 Å²	31.4	50%	0.504	17%	0.171	S	C	.	.	B	Isolated β-bridge	trans	-150	156.9	178.6	0	0	0	0	0	111.3	G53 G55 D61	G53-A63 CarbonylContact O-C 3.36Å; G53-A63 WeakPolarHBondContact O-CA 3.28Å; G55-A63 CarbonylContact O-C 3.52Å; D61-A63 VanDerWaalsContact C-N 3.3Å
64	H	73.3	Confident	77.6	Confident	9 Å²	9	31.7 Å²	31.7	4%	0.042	17%	0.17	C	C	.	.			trans	-142.2	155.3	173.6	68.2	-84.9	0	0	0	110.2	C46 C51 G53 G55 T66 C70	C46-H64 VanDerWaalsContact CB-NE2 3.35Å; C46-H64 WeakPolarHBondContact CB-NE2 3.32Å; C46-H64 PolarHBondContact SG-NE2 3Å; C46-H64 VanDerWaalsContact SG-NE2 3.38Å; C51-H64 PolarHBondContact SG-CE1 3.08Å; C51-H64 PolarHBondContact SG-NE2 3.01Å; G53-H64 VanDerWaalsContact C-CE1 3.46Å; G53-H64 VanDerWaalsContact CA-CE1 3.47Å; G53-H64 WeakPolarHBondContact CA-CE1 3.44Å; G53-H64 PolarHBondContact O-N 3.45Å; G53-H64 PolarHBondContact O-ND1 2.94Å; G55-H64 PolarHBondContact O-ND1 3.48Å; H64-T66 PolarHBondContact CD2-O 2.93Å; H64-T66 VanDerWaalsContact CD2-O 3.23Å; H64-C70 VanDerWaalsContact NE2-CB 3.33Å; H64-C70 WeakPolarHBondContact NE2-CB 3.49Å; H64-C70 PolarHBondContact NE2-SG 2.81Å
65	V	69.2	Low	78	Confident	64 Å²	64	31.7 Å²	31.7	39%	0.388	17%	0.17	S	C	.	.			trans	-120.6	-6.3	172.1	-60.3	0	0	0	0	112.5	L44 H159	L44-V65 WeakPolarHBondContact O-CG1 3.12Å; V65-H159 PolarHBondContact O-NE2 3.15Å
66	T	69.7	Low	78.3	Confident	2 Å²	2	33 Å²	33	1%	0.012	18%	0.176	C	C	.	.	S	Bend	trans	-110.1	158.1	-173.8	61.1	0	0	0	0	111.7	H64 S68 G69 C70 D155 H159	H64-T66 PolarHBondContact CD2-O 2.93Å; H64-T66 VanDerWaalsContact CD2-O 3.23Å; T66-S68 WeakPolarHBondContact CB-OG 3.22Å; T66-S68 PolarHBondContact OG1-OG 3.29Å; T66-G69 WeakPolarHBondContact OG1-CA 3.26Å; T66-G69 PolarHBondContact OG1-N 3.4Å; T66-C70 VanDerWaalsContact O-CB 3.26Å; T66-C70 WeakPolarHBondContact O-CB 3.38Å; T66-C70 PolarHBondContact O-N 2.89Å; T66-C70 VanDerWaalsContact O-N 3.16Å; T66-D155 WeakPolarHBondContact CB-OD2 3.5Å; T66-D155 HydrophobicContact CG2-CB 4.08Å; T66-D155 WeakPolarHBondContact CG2-OD2 3.27Å; T66-D155 PolarHBondContact OG1-OD2 3.08Å; T66-H159 VanDerWaalsContact CA-CE1 3.44Å; T66-H159 WeakPolarHBondContact CA-CE1 3.28Å; T66-H159 WeakPolarHBondContact CA-ND1 3.28Å; T66-H159 HydrophobicContact CG2-CB 3.81Å
67	L	73.4	Confident	78.5	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-72.3	-39.9	173.8	-75.6	176.5	0	0	0	110.3	P47 L48 G69 C70 Y73 H74 T122 H159 L162	P47-L67 HydrophobicContact CG-CD1 4.49Å; P47-L67 HydrophobicContact CG-CD2 4.11Å; P47-L67 HydrophobicContact CG-CG 3.98Å; L48-L67 HydrophobicContact CB-CD2 3.68Å; L67-G69 PolarHBondContact O-N 3.18Å; L67-C70 VanDerWaalsContact O-CB 3.29Å; L67-C70 WeakPolarHBondContact O-CB 3.47Å; L67-C70 PolarHBondContact O-N 3.36Å; L67-Y73 HydrophobicContact CB-CD1 4.11Å; L67-Y73 HydrophobicContact CB-CD2 4.36Å; L67-Y73 HydrophobicContact CB-CE1 4.37Å; L67-Y73 HydrophobicContact CB-CG 4.11Å; L67-Y73 HydrophobicContact CD1-CD2 4.43Å; L67-Y73 HydrophobicContact CD1-CE2 4.23Å; L67-Y73 HydrophobicContact CD2-CD2 3.71Å; L67-Y73 HydrophobicContact CD2-CE2 4.33Å; L67-Y73 HydrophobicContact CD2-CG 3.98Å; L67-Y73 HydrophobicContact CG-CD2 4.35Å; L67-Y73 VanDerWaalsContact O-CD1 3.3Å; L67-Y73 WeakPolarHBondContact O-CD1 3.46Å; L67-H74 PolarHBondContact O-CD2 3.46Å; L67-H74 PolarHBondContact O-NE2 3.33Å; L67-T122 HydrophobicContact CD1-CG2 3.68Å; L67-T122 HydrophobicContact CD2-CG2 3.8Å; L67-T122 HydrophobicContact CG-CG2 4.34Å; L67-H159 PolarHBondContact N-CE1 2.93Å; L67-H159 PolarHBondContact N-ND1 3.02Å; L67-L162 HydrophobicContact CB-CD2 3.6Å; L67-L162 HydrophobicContact CD1-CD2 3.64Å; L67-L162 HydrophobicContact CD1-CG 3.9Å; L67-L162 HydrophobicContact CG-CD2 4.26Å
68	S	74.7	Confident	78.7	Confident	18 Å²	18	35.1 Å²	35.1	13%	0.126	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-33.9	173.3	43	0	0	0	0	112.9	I57 T66 H74 Q146 D155	I57-S68 WeakPolarHBondContact CG2-O 3.43Å; T66-S68 WeakPolarHBondContact CB-OG 3.22Å; T66-S68 PolarHBondContact OG1-OG 3.29Å; S68-H74 PolarHBondContact O-NE2 2.88Å; S68-Q146 PolarHBondContact O-NE2 3.27Å; S68-Q146 VanDerWaalsContact O-NE2 3.13Å; S68-D155 PolarHBondContact OG-OD1 3.01Å
69	G	77.9	Confident	79.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-9.8	173.6	0	0	0	0	0	114.2	H56 I57 T66 L67 P71	H56-G69 WeakPolarHBondContact CA-O 3.21Å; H56-G69 WeakPolarHBondContact NE2-CA 3.27Å; I57-G69 PolarHBondContact N-O 3.08Å; T66-G69 WeakPolarHBondContact OG1-CA 3.26Å; T66-G69 PolarHBondContact OG1-N 3.4Å; L67-G69 PolarHBondContact O-N 3.18Å; G69-P71 VanDerWaalsContact O-CD 3.27Å; G69-P71 WeakPolarHBondContact O-CD 3.49Å
70	C	83.6	Confident	79.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.			trans	-83.1	113.4	-169.2	-178.1	0	0	0	0	112.4	C46 C51 H64 T66 L67 L72 Y73 H74	C46-C70 VanDerWaalsContact SG-SG 3.69Å; C51-C70 PolarHBondContact SG-SG 3.46Å; H64-C70 VanDerWaalsContact NE2-CB 3.33Å; H64-C70 WeakPolarHBondContact NE2-CB 3.49Å; H64-C70 PolarHBondContact NE2-SG 2.81Å; T66-C70 VanDerWaalsContact O-CB 3.26Å; T66-C70 WeakPolarHBondContact O-CB 3.38Å; T66-C70 PolarHBondContact O-N 2.89Å; T66-C70 VanDerWaalsContact O-N 3.16Å; L67-C70 VanDerWaalsContact O-CB 3.29Å; L67-C70 WeakPolarHBondContact O-CB 3.47Å; L67-C70 PolarHBondContact O-N 3.36Å; C70-L72 VanDerWaalsContact C-N 3.29Å; C70-L72 PolarHBondContact O-N 2.59Å; C70-Y73 PolarHBondContact O-N 3.07Å; C70-Y73 PolarHBondContact SG-N 3.26Å; C70-H74 PolarHBondContact O-CD2 3.17Å; C70-H74 PolarHBondContact O-N 3.04Å
71	P	86.6	Confident	79.8	Confident	4 Å²	4	30.6 Å²	30.6	3%	0.026	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-45.2	176.2	-28.2	38.8	0	0	0	112.8	G69 Y73 H74 N75 M76 F78	G69-P71 VanDerWaalsContact O-CD 3.27Å; G69-P71 WeakPolarHBondContact O-CD 3.49Å; P71-Y73 PolarHBondContact O-N 3.44Å; P71-H74 CarbonylContact O-C 3.39Å; P71-H74 PolarHBondContact O-N 2.93Å; P71-H74 VanDerWaalsContact O-N 3.14Å; P71-N75 PolarHBondContact O-N 3.34Å; P71-M76 CarbonylContact C-O 2.96Å; P71-M76 WeakPolarHBondContact CA-O 3.22Å; P71-M76 WeakPolarHBondContact CB-O 3.39Å; P71-M76 CarbonylContact O-C 3.59Å; P71-M76 PolarHBondContact O-N 2.9Å; P71-M76 VanDerWaalsContact O-N 3.13Å; P71-F78 HydrophobicContact CB-CB 4.46Å; P71-F78 HydrophobicContact CG-CB 4.16Å
72	L	85.7	Confident	80.3	Confident	58 Å²	58	28.2 Å²	28.2	30%	0.304	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-34.8	-178.2	-86.5	152.6	0	0	0	113.3	L48 C51 C70 H74 N75	L48-L72 HydrophobicContact CD2-CB 3.68Å; C51-L72 HydrophobicContact CB-CD1 4.28Å; C70-L72 VanDerWaalsContact C-N 3.29Å; C70-L72 PolarHBondContact O-N 2.59Å; L72-H74 VanDerWaalsContact C-N 3.26Å; L72-H74 PolarHBondContact O-N 2.94Å; L72-N75 PolarHBondContact O-N 2.99Å
73	Y	83.8	Confident	80.8	Confident	21 Å²	21	28.3 Å²	28.3	8%	0.082	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-38.4	175.2	177.1	-107.1	0	0	0	110.6	L48 L67 C70 P71 N75 Q124 E126 L162	L48-Y73 HydrophobicContact CD1-CD2 4.4Å; L67-Y73 HydrophobicContact CB-CD1 4.11Å; L67-Y73 HydrophobicContact CB-CD2 4.36Å; L67-Y73 HydrophobicContact CB-CE1 4.37Å; L67-Y73 HydrophobicContact CB-CG 4.11Å; L67-Y73 HydrophobicContact CD1-CD2 4.43Å; L67-Y73 HydrophobicContact CD1-CE2 4.23Å; L67-Y73 HydrophobicContact CD2-CD2 3.71Å; L67-Y73 HydrophobicContact CD2-CE2 4.33Å; L67-Y73 HydrophobicContact CD2-CG 3.98Å; L67-Y73 HydrophobicContact CG-CD2 4.35Å; L67-Y73 VanDerWaalsContact O-CD1 3.3Å; L67-Y73 WeakPolarHBondContact O-CD1 3.46Å; C70-Y73 PolarHBondContact O-N 3.07Å; C70-Y73 PolarHBondContact SG-N 3.26Å; P71-Y73 PolarHBondContact O-N 3.44Å; Y73-N75 PolarHBondContact O-N 2.96Å; Y73-Q124 WeakPolarHBondContact CE2-O 3.37Å; Y73-E126 HydrophobicContact CD1-CB 4.42Å; Y73-E126 HydrophobicContact CE1-CB 4.06Å; Y73-E126 WeakPolarHBondContact O-CB 3.43Å; Y73-E126 PolarHBondContact O-N 3.39Å; Y73-L162 HydrophobicContact CE1-CD2 3.89Å
74	H	83	Confident	81.2	Confident	15 Å²	15	26.7 Å²	26.7	7%	0.069	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	25.8	-179.5	-70.4	-65	0	0	0	113.9	I57 L67 S68 C70 P71 L72 M76 W81 E126 R142	I57-H74 HydrophobicContact CD1-CB 3.97Å; I57-H74 WeakPolarHBondContact CD1-CD2 3.36Å; L67-H74 PolarHBondContact O-CD2 3.46Å; L67-H74 PolarHBondContact O-NE2 3.33Å; S68-H74 PolarHBondContact O-NE2 2.88Å; C70-H74 PolarHBondContact O-CD2 3.17Å; C70-H74 PolarHBondContact O-N 3.04Å; P71-H74 CarbonylContact O-C 3.39Å; P71-H74 PolarHBondContact O-N 2.93Å; P71-H74 VanDerWaalsContact O-N 3.14Å; L72-H74 VanDerWaalsContact C-N 3.26Å; L72-H74 PolarHBondContact O-N 2.94Å; H74-M76 PolarHBondContact O-N 2.86Å; H74-M76 VanDerWaalsContact O-N 3.15Å; H74-W81 HydrophobicContact CB-CZ2 4.11Å; H74-E126 IonicContact CE1-OE2 2.72Å; H74-E126 IonicContact CG-OE2 2.63Å; H74-E126 IonicContact ND1-OE1 3.6Å; H74-E126 IonicContact ND1-OE2 3.61Å; H74-E126 PolarHBondContact ND1-OE2 3.24Å; H74-R142 PolarHBondContact O-NH1 3.22Å
75	N	85.6	Confident	81.6	Confident	50 Å²	50	28.6 Å²	28.6	27%	0.267	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	25.6	174.9	-59.2	-44.5	0	0	0	115.9	P71 L72 Y73 E126 M128	P71-N75 PolarHBondContact O-N 3.34Å; L72-N75 PolarHBondContact O-N 2.99Å; Y73-N75 PolarHBondContact O-N 2.96Å; N75-E126 PolarHBondContact ND2-O 2.81Å; N75-M128 HydrophobicContact CB-CE 4.14Å
76	M	84.2	Confident	82.3	Confident	27 Å²	27	25.9 Å²	25.9	13%	0.133	14%	0.138	C	C	.	.	S	Bend	trans	-149.9	133.8	-176.1	-175.9	148.2	52.4	0	0	112.9	P71 H74 K80 W81 M84	P71-M76 CarbonylContact C-O 2.96Å; P71-M76 WeakPolarHBondContact CA-O 3.22Å; P71-M76 WeakPolarHBondContact CB-O 3.39Å; P71-M76 CarbonylContact O-C 3.59Å; P71-M76 PolarHBondContact O-N 2.9Å; P71-M76 VanDerWaalsContact O-N 3.13Å; H74-M76 PolarHBondContact O-N 2.86Å; H74-M76 VanDerWaalsContact O-N 3.15Å; M76-K80 HydrophobicContact CG-CB 3.75Å; M76-K80 HydrophobicContact CG-CD 3.76Å; M76-K80 HydrophobicContact CG-CG 3.88Å; M76-K80 HydrophobicContact SD-CB 4.1Å; M76-K80 HydrophobicContact SD-CD 3.3Å; M76-K80 WeakPolarHBondContact SD-CD 3.28Å; M76-K80 WeakPolarHBondContact SD-CE 3.39Å; M76-K80 HydrophobicContact SD-CG 3.53Å; M76-K80 VanDerWaalsContact SD-CG 3.53Å; M76-W81 HydrophobicContact CB-CZ2 4.27Å; M76-W81 HydrophobicContact CE-CD2 4.29Å; M76-W81 HydrophobicContact CE-CH2 3.75Å; M76-W81 HydrophobicContact CE-CZ2 3.44Å; M76-W81 VanDerWaalsContact CE-CZ2 3.44Å; M76-W81 HydrophobicContact CE-CZ3 4.38Å; M76-W81 PolarHBondContact O-NE1 3.1Å; M76-M84 HydrophobicContact CE-CE 3.19Å; M76-M84 HydrophobicContact CE-SD 3.99Å; M76-M84 HydrophobicContact SD-CE 3.76Å; M76-M84 HydrophobicContact SD-SD 4.33Å
77	G	85.6	Confident	82.9	Confident	42 Å²	42	35.7 Å²	35.7	43%	0.433	18%	0.175	S	C	.	.			trans	-67.6	152.2	-178	0	0	0	0	0	113.7	V79 K80 W81	G77-V79 VanDerWaalsContact C-N 3.27Å; G77-V79 PolarHBondContact O-N 3.14Å; G77-K80 PolarHBondContact O-N 3.28Å; G77-K80 VanDerWaalsContact O-N 3.08Å; G77-W81 VanDerWaalsContact O-CD1 3.25Å; G77-W81 PolarHBondContact O-N 3.46Å
78	F	84.1	Confident	83	Confident	21 Å²	21	39 Å²	39	9%	0.092	19%	0.191	C	C	.	.	H	α-helix	trans	-52.1	-40.9	-179.3	172.8	-135.8	0	0	0	113.7	D61 P71 K80 W81 A82 I97	D61-F78 WeakPolarHBondContact O-CE2 3.32Å; P71-F78 HydrophobicContact CB-CB 4.46Å; P71-F78 HydrophobicContact CG-CB 4.16Å; F78-K80 VanDerWaalsContact C-N 3.32Å; F78-K80 PolarHBondContact O-N 3.02Å; F78-W81 WeakPolarHBondContact O-CB 3.39Å; F78-W81 PolarHBondContact O-N 2.93Å; F78-A82 PolarHBondContact O-N 2.86Å; F78-I97 HydrophobicContact CD1-CG2 4.09Å; F78-I97 HydrophobicContact CE1-CB 4.38Å; F78-I97 HydrophobicContact CE1-CG1 4.24Å; F78-I97 HydrophobicContact CE1-CG2 3.63Å; F78-I97 HydrophobicContact CZ-CD1 4.03Å; F78-I97 HydrophobicContact CZ-CG1 4.11Å; F78-I97 HydrophobicContact CZ-CG2 3.97Å
79	V	84.9	Confident	83.3	Confident	32 Å²	32	41.5 Å²	41.5	19%	0.194	20%	0.2	C	C	.	.	H	α-helix	trans	-59.3	-44.2	179.8	-179.2	0	0	0	0	111.2	G77 W81 A82 E83	G77-V79 VanDerWaalsContact C-N 3.27Å; G77-V79 PolarHBondContact O-N 3.14Å; V79-W81 VanDerWaalsContact C-N 3.32Å; V79-W81 PolarHBondContact O-N 2.84Å; V79-A82 WeakPolarHBondContact O-CB 3.44Å; V79-A82 PolarHBondContact O-N 3.3Å; V79-A82 VanDerWaalsContact O-N 3.13Å; V79-E83 HydrophobicContact CG1-CG 4.44Å; V79-E83 WeakPolarHBondContact O-CG 3.23Å; V79-E83 PolarHBondContact O-N 3.15Å
80	K	84.8	Confident	83.4	Confident	78 Å²	78	44.9 Å²	44.9	34%	0.339	24%	0.235	S	C	.	.	H	α-helix	trans	-66.6	-34.5	179.7	-168	169.3	168.6	-161.9	0	111.6	M76 G77 F78 E83 M84 Q135	M76-K80 HydrophobicContact CG-CB 3.75Å; M76-K80 HydrophobicContact CG-CD 3.76Å; M76-K80 HydrophobicContact CG-CG 3.88Å; M76-K80 HydrophobicContact SD-CB 4.1Å; M76-K80 HydrophobicContact SD-CD 3.3Å; M76-K80 WeakPolarHBondContact SD-CD 3.28Å; M76-K80 WeakPolarHBondContact SD-CE 3.39Å; M76-K80 HydrophobicContact SD-CG 3.53Å; M76-K80 VanDerWaalsContact SD-CG 3.53Å; G77-K80 PolarHBondContact O-N 3.28Å; G77-K80 VanDerWaalsContact O-N 3.08Å; F78-K80 VanDerWaalsContact C-N 3.32Å; F78-K80 PolarHBondContact O-N 3.02Å; K80-E83 PolarHBondContact O-N 3.33Å; K80-M84 WeakPolarHBondContact O-CG 3.4Å; K80-M84 PolarHBondContact O-N 3.31Å; K80-Q135 VanDerWaalsContact NZ-NE2 3.17Å
81	W	83.3	Confident	83.2	Confident	1 Å²	1	49.3 Å²	49.3	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-62.5	-43.7	170.1	-73.4	100.7	0	0	0	113.1	I57 H74 M76 G77 F78 V79 E83 M84 R85 Y139 R142	I57-W81 HydrophobicContact CD1-CH2 3.81Å; I57-W81 HydrophobicContact CD1-CZ2 3.77Å; I57-W81 HydrophobicContact CD1-CZ3 4.22Å; I57-W81 HydrophobicContact CG1-CD2 3.63Å; I57-W81 VanDerWaalsContact CG1-CE2 3.43Å; I57-W81 HydrophobicContact CG1-CE3 3.7Å; I57-W81 HydrophobicContact CG1-CG 4.46Å; I57-W81 HydrophobicContact CG1-CH2 3.59Å; I57-W81 HydrophobicContact CG1-CZ2 3.42Å; I57-W81 VanDerWaalsContact CG1-CZ2 3.42Å; I57-W81 HydrophobicContact CG1-CZ3 3.66Å; H74-W81 HydrophobicContact CB-CZ2 4.11Å; M76-W81 HydrophobicContact CB-CZ2 4.27Å; M76-W81 HydrophobicContact CE-CD2 4.29Å; M76-W81 HydrophobicContact CE-CH2 3.75Å; M76-W81 HydrophobicContact CE-CZ2 3.44Å; M76-W81 VanDerWaalsContact CE-CZ2 3.44Å; M76-W81 HydrophobicContact CE-CZ3 4.38Å; M76-W81 PolarHBondContact O-NE1 3.1Å; G77-W81 VanDerWaalsContact O-CD1 3.25Å; G77-W81 PolarHBondContact O-N 3.46Å; F78-W81 WeakPolarHBondContact O-CB 3.39Å; F78-W81 PolarHBondContact O-N 2.93Å; V79-W81 VanDerWaalsContact C-N 3.32Å; V79-W81 PolarHBondContact O-N 2.84Å; W81-E83 VanDerWaalsContact C-N 3.35Å; W81-M84 HydrophobicContact CD2-CE 3.77Å; W81-M84 HydrophobicContact CE3-CE 3.49Å; W81-M84 VanDerWaalsContact CE3-CE 3.49Å; W81-M84 HydrophobicContact CG-CE 4.3Å; W81-M84 HydrophobicContact CH2-CE 4.25Å; W81-M84 HydrophobicContact CZ3-CE 3.78Å; W81-M84 PolarHBondContact O-N 3.23Å; W81-R85 PolarHBondContact O-N 3.02Å; W81-Y139 AromaticContact CE3-CD2 3.52Å; W81-Y139 HydrophobicContact CE3-CD2 3.52Å; W81-Y139 AromaticContact CE3-CE2 3.79Å; W81-Y139 HydrophobicContact CE3-CE2 3.79Å; W81-Y139 AromaticContact CZ3-CD2 3.43Å; W81-Y139 HydrophobicContact CZ3-CD2 3.43Å; W81-Y139 VanDerWaalsContact CZ3-CD2 3.43Å; W81-Y139 HydrophobicContact CZ3-CE2 4.07Å; W81-Y139 HydrophobicContact CZ3-CG 4.36Å; W81-R142 HydrophobicContact CH2-CB 4.35Å; W81-R142 HydrophobicContact CH2-CG 4.41Å; W81-R142 HydrophobicContact CZ3-CB 4.43Å
82	A	83.3	Confident	82.9	Confident	3 Å²	3	55.2 Å²	55.2	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-38.7	176.8	0	0	0	0	0	111.9	F78 V79 R85 A86 V93 I97	F78-A82 PolarHBondContact O-N 2.86Å; V79-A82 WeakPolarHBondContact O-CB 3.44Å; V79-A82 PolarHBondContact O-N 3.3Å; V79-A82 VanDerWaalsContact O-N 3.13Å; A82-R85 PolarHBondContact O-N 2.68Å; A82-A86 VanDerWaalsContact O-CB 3.25Å; A82-A86 WeakPolarHBondContact O-CB 3.49Å; A82-A86 PolarHBondContact O-N 3.05Å; A82-V93 HydrophobicContact CB-CG1 4.06Å; A82-I97 HydrophobicContact CB-CD1 3.86Å; A82-I97 HydrophobicContact CB-CG2 3.8Å
83	E	85.8	Confident	82.4	Confident	89 Å²	89	53 Å²	53	42%	0.416	28%	0.282	S	S	.	.	H	α-helix	trans	-63.1	-45.6	174.9	-74.4	170.8	172.4	0	0	112.6	V79 K80 W81 R85 A86 R87 V93	V79-E83 HydrophobicContact CG1-CG 4.44Å; V79-E83 WeakPolarHBondContact O-CG 3.23Å; V79-E83 PolarHBondContact O-N 3.15Å; K80-E83 PolarHBondContact O-N 3.33Å; W81-E83 VanDerWaalsContact C-N 3.35Å; E83-R85 PolarHBondContact O-N 3.08Å; E83-A86 PolarHBondContact O-N 3.48Å; E83-R87 WeakPolarHBondContact O-CB 3.24Å; E83-R87 PolarHBondContact O-N 2.95Å; E83-V93 HydrophobicContact CB-CG2 4.27Å; E83-V93 HydrophobicContact CG-CG2 3.78Å
84	M	83.2	Confident	81.8	Confident	27 Å²	27	55.2 Å²	55.2	13%	0.133	30%	0.299	C	S	.	.	H	α-helix	trans	-63.5	-41.8	176.7	-69.1	-176.4	-63.1	0	0	111.8	M76 K80 W81 R87 E88 Y139	M76-M84 HydrophobicContact CE-CE 3.19Å; M76-M84 HydrophobicContact CE-SD 3.99Å; M76-M84 HydrophobicContact SD-CE 3.76Å; M76-M84 HydrophobicContact SD-SD 4.33Å; K80-M84 WeakPolarHBondContact O-CG 3.4Å; K80-M84 PolarHBondContact O-N 3.31Å; W81-M84 HydrophobicContact CD2-CE 3.77Å; W81-M84 HydrophobicContact CE3-CE 3.49Å; W81-M84 VanDerWaalsContact CE3-CE 3.49Å; W81-M84 HydrophobicContact CG-CE 4.3Å; W81-M84 HydrophobicContact CH2-CE 4.25Å; W81-M84 HydrophobicContact CZ3-CE 3.78Å; W81-M84 PolarHBondContact O-N 3.23Å; M84-R87 PolarHBondContact O-N 3.42Å; M84-E88 PolarHBondContact O-N 3.47Å; M84-Y139 HydrophobicContact CB-CD1 4.43Å; M84-Y139 HydrophobicContact CB-CD2 3.64Å; M84-Y139 HydrophobicContact CB-CE2 3.93Å; M84-Y139 HydrophobicContact CB-CG 3.96Å; M84-Y139 HydrophobicContact CE-CD2 3.63Å; M84-Y139 HydrophobicContact CE-CE2 4.46Å; M84-Y139 HydrophobicContact CE-CG 4.33Å; M84-Y139 HydrophobicContact CG-CD2 4.48Å; M84-Y139 HydrophobicContact SD-CD2 4.09Å; M84-Y139 HydrophobicContact SD-CG 4.23Å
85	R	81.5	Confident	81.5	Confident	48 Å²	48	59.1 Å²	59.1	18%	0.181	32%	0.318	C	S	.	.	H	α-helix	trans	-59.7	-48.7	173.6	-176.6	-172.2	170.6	-137.9	-10.5	111.4	N58 W81 A82 E83 R87 E88 E89 Y139	N58-R85 WeakPolarHBondContact O-CD 3.36Å; W81-R85 PolarHBondContact O-N 3.02Å; A82-R85 PolarHBondContact O-N 2.68Å; E83-R85 PolarHBondContact O-N 3.08Å; R85-R87 VanDerWaalsContact C-N 3.27Å; R85-R87 PolarHBondContact O-N 2.96Å; R85-E88 PolarHBondContact O-N 2.92Å; R85-E89 HydrophobicContact CG-CG 4.28Å; R85-E89 IonicContact CZ-OE2 2.78Å; R85-E89 IonicContact NE-OE1 3.3Å; R85-E89 IonicContact NE-OE2 3.31Å; R85-E89 PolarHBondContact NE-OE2 3.2Å; R85-E89 IonicContact NH2-OE2 3.43Å; R85-E89 PolarHBondContact NH2-OE2 3.22Å; R85-E89 WeakPolarHBondContact O-CB 3.33Å; R85-E89 PolarHBondContact O-N 3.47Å; R85-Y139 VanDerWaalsContact CA-OH 3.23Å; R85-Y139 WeakPolarHBondContact CA-OH 3.45Å; R85-Y139 HydrophobicContact CB-CE2 4.49Å; R85-Y139 WeakPolarHBondContact CB-OH 3.27Å
86	A	83.1	Confident	80.8	Confident	8 Å²	8	60.2 Å²	60.2	7%	0.066	33%	0.329	C	S	.	.	H	α-helix	trans	-58.8	-43.2	-179.5	0	0	0	0	0	110.8	A82 E83 E88 G90 L91 V93	A82-A86 VanDerWaalsContact O-CB 3.25Å; A82-A86 WeakPolarHBondContact O-CB 3.49Å; A82-A86 PolarHBondContact O-N 3.05Å; E83-A86 PolarHBondContact O-N 3.48Å; A86-E88 PolarHBondContact O-N 3.19Å; A86-G90 CarbonylContact O-C 3.59Å; A86-G90 PolarHBondContact O-N 3.37Å; A86-L91 CarbonylContact C-O 3.57Å; A86-L91 HydrophobicContact CB-CB 4.5Å; A86-L91 WeakPolarHBondContact CB-O 3.29Å; A86-L91 PolarHBondContact O-N 3.43Å; A86-L91 VanDerWaalsContact O-O 3.09Å; A86-V93 HydrophobicContact CB-CB 4.49Å; A86-V93 HydrophobicContact CB-CG2 3.48Å; A86-V93 VanDerWaalsContact CB-CG2 3.48Å
87	R	82.1	Confident	80.2	Confident	207 Å²	207	59.4 Å²	59.4	78%	0.781	33%	0.325	S	S	*	.	H	α-helix	trans	-61.4	-43	174.8	-172.8	179.7	179.3	-175.8	-0.2	113.1	E83 M84 R85	E83-R87 WeakPolarHBondContact O-CB 3.24Å; E83-R87 PolarHBondContact O-N 2.95Å; M84-R87 PolarHBondContact O-N 3.42Å; R85-R87 VanDerWaalsContact C-N 3.27Å; R85-R87 PolarHBondContact O-N 2.96Å
88	E	77	Confident	79.4	Confident	71 Å²	71	63 Å²	63	33%	0.332	33%	0.326	S	S	.	.	H	α-helix	trans	-75	-39.1	-178.1	-163.1	-169.8	-153.1	0	0	112.7	M84 R85 A86 G90 Y139 Q140 R143	M84-E88 PolarHBondContact O-N 3.47Å; R85-E88 PolarHBondContact O-N 2.92Å; A86-E88 PolarHBondContact O-N 3.19Å; E88-G90 VanDerWaalsContact C-N 3.29Å; E88-G90 PolarHBondContact O-N 3.13Å; E88-Y139 HydrophobicContact CB-CE1 4.34Å; E88-Y139 VanDerWaalsContact OE2-CE1 3.29Å; E88-Y139 WeakPolarHBondContact OE2-CE1 3.23Å; E88-Q140 WeakPolarHBondContact OE1-CG 3.29Å; E88-Q140 PolarHBondContact OE1-NE2 2.64Å; E88-R143 IonicContact OE1-NH1 3.35Å; E88-R143 WeakPolarHBondContact OE2-CD 3.31Å; E88-R143 IonicContact OE2-CZ 3.26Å; E88-R143 IonicContact OE2-NE 3.69Å; E88-R143 IonicContact OE2-NH1 2.99Å; E88-R143 PolarHBondContact OE2-NH1 2.96Å
89	E	80.2	Confident	78.7	Confident	70 Å²	70	69.6 Å²	69.6	33%	0.327	35%	0.35	S	S	.	.	H	α-helix	trans	-85.6	1.2	-179.5	-64.7	-173.8	174.9	0	0	113	R85 L91 R143	R85-E89 HydrophobicContact CG-CG 4.28Å; R85-E89 IonicContact CZ-OE2 2.78Å; R85-E89 IonicContact NE-OE1 3.3Å; R85-E89 IonicContact NE-OE2 3.31Å; R85-E89 PolarHBondContact NE-OE2 3.2Å; R85-E89 IonicContact NH2-OE2 3.43Å; R85-E89 PolarHBondContact NH2-OE2 3.22Å; R85-E89 WeakPolarHBondContact O-CB 3.33Å; R85-E89 PolarHBondContact O-N 3.47Å; E89-L91 VanDerWaalsContact C-N 3.26Å; E89-L91 HydrophobicContact CB-CD1 3.75Å; E89-L91 HydrophobicContact CB-CG 3.79Å; E89-L91 PolarHBondContact O-N 2.9Å; E89-L91 WeakPolarHBondContact OE2-CD1 3.33Å; E89-R143 IonicContact OE1-CZ 3.57Å; E89-R143 IonicContact OE1-NH2 3.72Å; E89-R143 PolarHBondContact OE1-NH2 3.08Å
90	G	79.8	Confident	77.7	Confident	70 Å²	70	70.5 Å²	70.5	72%	0.722	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	30.2	-176.9	0	0	0	0	0	113.2	A86 E88	A86-G90 CarbonylContact O-C 3.59Å; A86-G90 PolarHBondContact O-N 3.37Å; E88-G90 VanDerWaalsContact C-N 3.29Å; E88-G90 PolarHBondContact O-N 3.13Å
91	L	79.6	Confident	76.5	Confident	93 Å²	93	69.9 Å²	69.9	49%	0.487	36%	0.359	S	S	.	.			trans	-104.8	164.3	-177.8	-56.4	176.4	0	0	0	110.9	A86 E89	A86-L91 CarbonylContact C-O 3.57Å; A86-L91 HydrophobicContact CB-CB 4.5Å; A86-L91 WeakPolarHBondContact CB-O 3.29Å; A86-L91 PolarHBondContact O-N 3.43Å; A86-L91 VanDerWaalsContact O-O 3.09Å; E89-L91 VanDerWaalsContact C-N 3.26Å; E89-L91 HydrophobicContact CB-CD1 3.75Å; E89-L91 HydrophobicContact CB-CG 3.79Å; E89-L91 PolarHBondContact O-N 2.9Å; E89-L91 WeakPolarHBondContact OE2-CD1 3.33Å
92	V	80.4	Confident	75.1	Confident	128 Å²	128	77.5 Å²	77.5	78%	0.776	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-96.1	138.1	166.1	-178.7	0	0	0	0	108.4	P94	V92-P94 WeakPolarHBondContact O-CD 3.48Å
93	V	74.5	Confident	73.4	Confident	12 Å²	12	83.7 Å²	83.7	7%	0.073	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-61	123.3	175.7	-178.6	0	0	0	0	109.3	A82 E83 A86 E95 I97	A82-V93 HydrophobicContact CB-CG1 4.06Å; E83-V93 HydrophobicContact CB-CG2 4.27Å; E83-V93 HydrophobicContact CG-CG2 3.78Å; A86-V93 HydrophobicContact CB-CB 4.49Å; A86-V93 HydrophobicContact CB-CG2 3.48Å; A86-V93 VanDerWaalsContact CB-CG2 3.48Å; V93-E95 PolarHBondContact O-N 3.49Å; V93-I97 HydrophobicContact CG1-CB 4.14Å; V93-I97 HydrophobicContact CG1-CG2 4.23Å
94	P	72	Confident	71.5	Confident	67 Å²	67	82.6 Å²	82.6	44%	0.435	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-56.7	133.8	177.5	-26.2	34	0	0	0	112.2	V92 S96 I97	V92-P94 WeakPolarHBondContact O-CD 3.48Å; P94-S96 PolarHBondContact O-N 3.47Å; P94-S96 VanDerWaalsContact O-N 3.09Å; P94-I97 HydrophobicContact CB-CG1 4.41Å; P94-I97 HydrophobicContact CG-CD1 4.27Å; P94-I97 WeakPolarHBondContact O-CB 3.34Å; P94-I97 PolarHBondContact O-N 2.95Å
95	E	76	Confident	69.3	Low	98 Å²	98	86.1 Å²	86.1	46%	0.458	45%	0.454	S	S	.	.	H	α-helix	trans	-58.6	-26.6	179.9	-168.4	55.7	-144	0	0	112.5	V93 I97 R98 R99	V93-E95 PolarHBondContact O-N 3.49Å; E95-I97 VanDerWaalsContact C-N 3.29Å; E95-I97 PolarHBondContact O-N 3.24Å; E95-R98 PolarHBondContact O-N 2.9Å; E95-R98 WeakPolarHBondContact OE2-CD 3.47Å; E95-R98 IonicContact OE2-NH1 3.74Å; E95-R99 WeakPolarHBondContact O-CG 3.13Å; E95-R99 PolarHBondContact O-N 3.29Å
96	S	72.2	Confident	66.9	Low	73 Å²	73	88.3 Å²	88.3	51%	0.51	48%	0.477	S	S	.	.	H	α-helix	trans	-58.2	-38.3	172.3	53.6	0	0	0	0	112.8	P94 R99 I100	P94-S96 PolarHBondContact O-N 3.47Å; P94-S96 VanDerWaalsContact O-N 3.09Å; S96-R99 PolarHBondContact O-N 2.8Å; S96-I100 WeakPolarHBondContact O-CD1 3.41Å; S96-I100 WeakPolarHBondContact O-CG1 3.46Å; S96-I100 PolarHBondContact O-N 3.43Å; S96-I100 VanDerWaalsContact O-N 3.1Å
97	I	70	Confident	64.7	Low	9 Å²	9	93.3 Å²	93.3	5%	0.046	51%	0.509	C	S	.	.	H	α-helix	trans	-68.8	-39	177.6	-63.9	-178.4	0	0	0	110.7	F78 A82 V93 P94 E95 R99 I100 S101	F78-I97 HydrophobicContact CD1-CG2 4.09Å; F78-I97 HydrophobicContact CE1-CB 4.38Å; F78-I97 HydrophobicContact CE1-CG1 4.24Å; F78-I97 HydrophobicContact CE1-CG2 3.63Å; F78-I97 HydrophobicContact CZ-CD1 4.03Å; F78-I97 HydrophobicContact CZ-CG1 4.11Å; F78-I97 HydrophobicContact CZ-CG2 3.97Å; A82-I97 HydrophobicContact CB-CD1 3.86Å; A82-I97 HydrophobicContact CB-CG2 3.8Å; V93-I97 HydrophobicContact CG1-CB 4.14Å; V93-I97 HydrophobicContact CG1-CG2 4.23Å; P94-I97 HydrophobicContact CB-CG1 4.41Å; P94-I97 HydrophobicContact CG-CD1 4.27Å; P94-I97 WeakPolarHBondContact O-CB 3.34Å; P94-I97 PolarHBondContact O-N 2.95Å; E95-I97 VanDerWaalsContact C-N 3.29Å; E95-I97 PolarHBondContact O-N 3.24Å; I97-R99 PolarHBondContact O-N 3.23Å; I97-I100 PolarHBondContact O-N 3.18Å; I97-S101 PolarHBondContact O-N 2.8Å
98	R	70.5	Confident	62.4	Low	118 Å²	118	88.4 Å²	88.4	45%	0.445	51%	0.506	S	S	.	.	H	α-helix	trans	-63.3	-40.5	176.4	-69.9	-178.3	171.1	178.1	-3.1	112	E95 S101	E95-R98 PolarHBondContact O-N 2.9Å; E95-R98 WeakPolarHBondContact OE2-CD 3.47Å; E95-R98 IonicContact OE2-NH1 3.74Å; R98-S101 WeakPolarHBondContact O-CB 3.43Å; R98-S101 PolarHBondContact O-N 2.59Å
99	R	68.4	Low	60.2	Low	159 Å²	159	94.3 Å²	94.3	60%	0.6	53%	0.531	S	S	*	.	H	α-helix	trans	-69.7	-35	176.8	-65.9	-173.2	-151.7	177.8	5.9	113.7	E95 S96 I97 S101 Q102 N103	E95-R99 WeakPolarHBondContact O-CG 3.13Å; E95-R99 PolarHBondContact O-N 3.29Å; S96-R99 PolarHBondContact O-N 2.8Å; I97-R99 PolarHBondContact O-N 3.23Å; R99-S101 PolarHBondContact O-N 3.17Å; R99-Q102 PolarHBondContact O-N 2.98Å; R99-Q102 VanDerWaalsContact O-N 3.11Å; R99-N103 PolarHBondContact O-N 3.4Å
100	I	64.6	Low	57.9	Low	51 Å²	51	96.4 Å²	96.4	26%	0.262	55%	0.548	S	S	.	.	H	α-helix	trans	-58.7	-35.9	176.9	-72.3	163.2	0	0	0	110.8	I54 T62 S96 I97 Q102 S104	I54-I100 HydrophobicContact CG2-CG2 3.4Å; I54-I100 VanDerWaalsContact CG2-CG2 3.4Å; T62-I100 HydrophobicContact CG2-CD1 4.25Å; S96-I100 WeakPolarHBondContact O-CD1 3.41Å; S96-I100 WeakPolarHBondContact O-CG1 3.46Å; S96-I100 PolarHBondContact O-N 3.43Å; S96-I100 VanDerWaalsContact O-N 3.1Å; I97-I100 PolarHBondContact O-N 3.18Å; I100-Q102 PolarHBondContact O-N 3.2Å; I100-S104 PolarHBondContact O-OG 3.44Å
101	S	59.3	Low	55.4	Low	66 Å²	66	102.8 Å²	102.8	46%	0.462	56%	0.556	S	S	.	*	H	α-helix	trans	-58.9	-44.9	174.8	-172.7	0	0	0	0	112.5	I97 R98 R99 N103 S104	I97-S101 PolarHBondContact O-N 2.8Å; R98-S101 WeakPolarHBondContact O-CB 3.43Å; R98-S101 PolarHBondContact O-N 2.59Å; R99-S101 PolarHBondContact O-N 3.17Å; S101-N103 PolarHBondContact O-N 2.86Å; S101-S104 PolarHBondContact O-OG 3.21Å
102	Q	54.2	Low	53.1	Low	160 Å²	160	105.3 Å²	105.3	75%	0.748	57%	0.565	S	S	*	*	H	α-helix	trans	-74	-26.5	-173.9	-66.5	-179	-14.2	0	0	113.4	R99 I100	R99-Q102 PolarHBondContact O-N 2.98Å; R99-Q102 VanDerWaalsContact O-N 3.11Å; I100-Q102 PolarHBondContact O-N 3.2Å
103	N	48	Very low	50.6	Low	134 Å²	134	111.6 Å²	111.6	72%	0.717	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	19.9	-175.6	-77.3	-7.8	0	0	0	114.3	R99 S101 P105	R99-N103 PolarHBondContact O-N 3.4Å; S101-N103 PolarHBondContact O-N 2.86Å; N103-P105 WeakPolarHBondContact O-CD 3.31Å
104	S	44.7	Very low	48.8	Very low	66 Å²	66	115.2 Å²	115.2	46%	0.462	60%	0.597	S	S	.	*			trans	-55	110	175.7	-55	0	0	0	0	110.4	I100 S101 S106	I100-S104 PolarHBondContact O-OG 3.44Å; S101-S104 PolarHBondContact O-OG 3.21Å; S104-S106 PolarHBondContact O-N 2.94Å
105	P	36.7	Very low	47.1	Very low	100 Å²	100	118.1 Å²	118.1	65%	0.649	61%	0.609	S	S	*	*			trans	-68.1	129.7	178.3	-6.5	21	0	0	0	108.4	N103	N103-P105 WeakPolarHBondContact O-CD 3.31Å
106	S	31.6	Very low	45.3	Very low	94 Å²	94	119.3 Å²	119.3	66%	0.657	61%	0.609	S	S	*	*			trans	-54.8	143.2	174.4	-51	0	0	0	0	110.3	S104 S108	S104-S106 PolarHBondContact O-N 2.94Å; S106-S108 PolarHBondContact O-N 3.17Å
107	P	37.9	Very low	43.7	Very low	113 Å²	113	119.5 Å²	119.5	73%	0.734	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	7.1	-162.8	-19.3	31.8	0	0	0	116.7
108	S	33.8	Very low	42.3	Very low	105 Å²	105	125.6 Å²	125.6	73%	0.734	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	11.4	-164.6	38.1	0	0	0	0	116	S106	S106-S108 PolarHBondContact O-N 3.17Å
109	K	30.4	Very low	41.3	Very low	194 Å²	194	122.9 Å²	122.9	84%	0.843	63%	0.631	S	S	*	*			trans	-124.5	18	-176.8	-73.6	-167.6	179.9	179.7	0	118.6	K111	K109-K111 PolarHBondContact O-N 3.25Å
110	V	32.3	Very low	40.8	Very low	114 Å²	114	119.7 Å²	119.7	69%	0.691	62%	0.621	S	S	*	*			trans	-94.7	87.9	170.4	-171.1	0	0	0	0	110.5	H112	V110-H112 VanDerWaalsContact C-N 3.32Å; V110-H112 PolarHBondContact O-N 2.96Å; V110-H112 VanDerWaalsContact O-N 3.13Å
111	K	27.6	Very low	40.7	Very low	205 Å²	205	122.3 Å²	122.3	89%	0.891	63%	0.631	S	S	*	*			trans	-79.5	74.4	170.3	-77.2	-175.2	176.1	179.8	0	110.4	K109	K109-K111 PolarHBondContact O-N 3.25Å
112	H	30.1	Very low	40.9	Very low	146 Å²	146	119.4 Å²	119.4	68%	0.676	61%	0.61	S	S	*	*			trans	-121	114.4	156.6	-82.1	-78.4	0	0	0	108.5	V110 V114	V110-H112 VanDerWaalsContact C-N 3.32Å; V110-H112 PolarHBondContact O-N 2.96Å; V110-H112 VanDerWaalsContact O-N 3.13Å; H112-V114 HydrophobicContact CB-CG2 4.4Å; H112-V114 PolarHBondContact O-N 3.29Å
113	R	28.7	Very low	41.8	Very low	260 Å²	260	116.8 Å²	116.8	98%	0.981	61%	0.605	S	S	*	*			trans	-69.2	79.3	167.2	-82.5	-175.8	170.8	-178.7	-2.7	107.8
114	V	36.2	Very low	43.1	Very low	88 Å²	88	113.8 Å²	113.8	53%	0.533	59%	0.587	S	S	.	*			trans	-98.1	125.7	159.2	-178.3	0	0	0	0	105.2	H112 R116	H112-V114 HydrophobicContact CB-CG2 4.4Å; H112-V114 PolarHBondContact O-N 3.29Å; V114-R116 WeakPolarHBondContact O-CG 3.31Å; V114-R116 PolarHBondContact O-N 3.1Å
115	D	35.1	Very low	44.7	Very low	127 Å²	127	116.6 Å²	116.6	68%	0.679	59%	0.587	S	S	*	*			trans	-56.3	120.4	179	-170.7	-2.8	0	0	0	109.7	S117	D115-S117 PolarHBondContact OD1-N 3.46Å; D115-S117 PolarHBondContact OD1-OG 3.22Å; D115-S117 VanDerWaalsContact OD1-OG 3.07Å
116	R	38.9	Very low	46.6	Very low	123 Å²	123	113.4 Å²	113.4	46%	0.464	56%	0.564	S	S	.	*			trans	-105.5	9	-170.3	-58.3	-169.9	173.5	176	-8.6	112.7	V114 H118 Q119	V114-R116 WeakPolarHBondContact O-CG 3.31Å; V114-R116 PolarHBondContact O-N 3.1Å; R116-H118 PolarHBondContact O-N 2.64Å; R116-Q119 PolarHBondContact O-N 2.63Å
117	S	39.4	Very low	48.8	Very low	78 Å²	78	113.5 Å²	113.5	55%	0.545	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.1	-29.4	-172.6	51.2	0	0	0	0	113.7	D115	D115-S117 PolarHBondContact OD1-N 3.46Å; D115-S117 PolarHBondContact OD1-OG 3.22Å; D115-S117 VanDerWaalsContact OD1-OG 3.07Å
118	H	39.4	Very low	50.6	Low	137 Å²	137	113.7 Å²	113.7	63%	0.634	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	10.8	-175.5	-54.8	-62.8	0	0	0	115.4	R116	R116-H118 PolarHBondContact O-N 2.64Å
119	Q	50.9	Low	52.6	Low	61 Å²	61	110.4 Å²	110.4	29%	0.285	53%	0.529	S	S	.	.			trans	-94.8	112.9	-178.6	-72.2	179.9	-6.4	0	0	111.7	P43 R116 K121	P43-Q119 HydrophobicContact CB-CG 4.17Å; P43-Q119 HydrophobicContact CG-CG 4.08Å; R116-Q119 PolarHBondContact O-N 2.63Å; Q119-K121 PolarHBondContact O-N 3.06Å
120	F	57.8	Low	54.5	Low	91 Å²	91	105.2 Å²	105.2	40%	0.399	51%	0.51	S	S	.	.			trans	-61.3	117.7	167.3	-62.5	-78.1	0	0	0	109.3	P47 C163 A185	P47-F120 WeakPolarHBondContact CB-O 3.31Å; F120-C163 HydrophobicContact CB-CB 3.71Å; F120-C163 HydrophobicContact CG-CB 4.27Å; F120-A185 HydrophobicContact CZ-CB 4.34Å
121	K	62.8	Low	56.4	Low	107 Å²	107	108 Å²	108	47%	0.465	52%	0.521	S	S	.	.			trans	-116.7	145.5	177.2	-70.6	176.6	-174.5	167.5	0	109.9	P47 I49 Q119	P47-K121 WeakPolarHBondContact O-CA 3.38Å; I49-K121 HydrophobicContact CD1-CB 3.91Å; I49-K121 HydrophobicContact CG1-CB 3.89Å; I49-K121 HydrophobicContact CG1-CD 4.4Å; Q119-K121 PolarHBondContact O-N 3.06Å
122	T	63.4	Low	58.7	Low	5 Å²	5	104.6 Å²	104.6	3%	0.031	51%	0.512	C	S	.	.	B	Isolated β-bridge	trans	-128.2	140.8	177.5	174.8	0	0	0	0	111.1	P47 L48 I49 L67 Q124 V166	P47-T122 PolarHBondContact O-N 3.05Å; L48-T122 HydrophobicContact CD1-CG2 4.34Å; I49-T122 PolarHBondContact N-O 3.48Å; L67-T122 HydrophobicContact CD1-CG2 3.68Å; L67-T122 HydrophobicContact CD2-CG2 3.8Å; L67-T122 HydrophobicContact CG-CG2 4.34Å; T122-Q124 WeakPolarHBondContact OG1-CA 3.34Å; T122-Q124 WeakPolarHBondContact OG1-CB 3.45Å; T122-Q124 PolarHBondContact OG1-N 3.11Å; T122-Q124 PolarHBondContact OG1-O 3.05Å; T122-V166 WeakPolarHBondContact OG1-CG1 3.45Å
123	T	73	Confident	61	Low	104 Å²	104	99.5 Å²	99.5	64%	0.638	50%	0.495	S	S	*	.			trans	-92.6	-16.1	161.8	52.2	0	0	0	0	112.2	I49 R125	I49-T123 HydrophobicContact CB-CG2 4.17Å; I49-T123 HydrophobicContact CD1-CG2 3.61Å; I49-T123 HydrophobicContact CG1-CG2 4.43Å; I49-T123 HydrophobicContact CG2-CG2 4.46Å; T123-R125 PolarHBondContact O-N 3.39Å
124	Q	74	Confident	63.4	Low	71 Å²	71	89.8 Å²	89.8	33%	0.332	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-71.5	128.3	-179.1	-58	-162.8	-2.2	0	0	110.5	Y73 T122 V166	Y73-Q124 WeakPolarHBondContact CE2-O 3.37Å; T122-Q124 WeakPolarHBondContact OG1-CA 3.34Å; T122-Q124 WeakPolarHBondContact OG1-CB 3.45Å; T122-Q124 PolarHBondContact OG1-N 3.11Å; T122-Q124 PolarHBondContact OG1-O 3.05Å; Q124-V166 HydrophobicContact CB-CG1 3.87Å; Q124-V166 HydrophobicContact CG-CG1 3.9Å
125	R	79	Confident	65.3	Low	125 Å²	125	90.4 Å²	90.4	47%	0.472	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-95.1	165.8	169.2	-63.9	-173.9	-178.8	-163.9	0.5	109.4	L48 T123	L48-R125 HydrophobicContact CD1-CG 4.26Å; T123-R125 PolarHBondContact O-N 3.39Å
126	E	77.3	Confident	67.2	Low	33 Å²	33	87.5 Å²	87.5	15%	0.154	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-55.7	143.5	168.1	-168.5	178.8	-148.9	0	0	109.5	Y73 H74 N75 R142	Y73-E126 HydrophobicContact CD1-CB 4.42Å; Y73-E126 HydrophobicContact CE1-CB 4.06Å; Y73-E126 WeakPolarHBondContact O-CB 3.43Å; Y73-E126 PolarHBondContact O-N 3.39Å; H74-E126 IonicContact CE1-OE2 2.72Å; H74-E126 IonicContact CG-OE2 2.63Å; H74-E126 IonicContact ND1-OE1 3.6Å; H74-E126 IonicContact ND1-OE2 3.61Å; H74-E126 PolarHBondContact ND1-OE2 3.24Å; N75-E126 PolarHBondContact ND2-O 2.81Å; E126-R142 IonicContact OE1-NH2 3.87Å; E126-R142 IonicContact OE2-CZ 2.79Å; E126-R142 VanDerWaalsContact OE2-CZ 3.3Å; E126-R142 IonicContact OE2-NE 3.99Å; E126-R142 IonicContact OE2-NH2 3.65Å; E126-R142 PolarHBondContact OE2-NH2 3.46Å
127	P	76.3	Confident	69.1	Low	96 Å²	96	86.6 Å²	86.6	62%	0.623	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-53.1	148.8	168.3	-25.6	35	0	0	0	111.1	L129	P127-L129 PolarHBondContact O-N 2.84Å
128	M	77.3	Confident	70.9	Confident	118 Å²	118	83.9 Å²	83.9	58%	0.581	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-65.1	124.8	172.7	-61.8	-139.8	75.2	0	0	108.4	N75 D130	N75-M128 HydrophobicContact CB-CE 4.14Å; M128-D130 VanDerWaalsContact C-N 3.32Å; M128-D130 WeakPolarHBondContact CE-OD2 3.3Å
129	L	75.6	Confident	72.7	Confident	36 Å²	36	77.7 Å²	77.7	19%	0.188	40%	0.403	C	S	.	.			trans	-97.9	8.7	177.5	-55.8	178.4	0	0	0	111.5	P127 D131 L132 L138	P127-L129 PolarHBondContact O-N 2.84Å; L129-D131 PolarHBondContact O-N 2.89Å; L129-L132 HydrophobicContact CB-CD1 4.24Å; L129-L132 HydrophobicContact CD2-CD1 3.97Å; L129-L132 PolarHBondContact O-N 3.07Å; L129-L138 HydrophobicContact CB-CD1 4Å; L129-L138 HydrophobicContact CB-CD2 3.92Å; L129-L138 HydrophobicContact CD1-CD2 3.95Å
130	D	69.2	Low	74	Confident	85 Å²	85	79 Å²	79	46%	0.455	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	127.9	171.6	-59.9	-23.4	0	0	0	106.1	M128	M128-D130 VanDerWaalsContact C-N 3.32Å; M128-D130 WeakPolarHBondContact CE-OD2 3.3Å
131	D	72	Confident	74.9	Confident	171 Å²	171	80 Å²	80	91%	0.914	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-15.6	-172.6	-45.6	-34.8	0	0	0	117.4	L129	L129-D131 PolarHBondContact O-N 2.89Å
132	L	76.4	Confident	75.5	Confident	135 Å²	135	75.5 Å²	75.5	71%	0.707	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-34.2	173.8	-83.9	108.7	0	0	0	113.2	L129	L129-L132 HydrophobicContact CB-CD1 4.24Å; L129-L132 HydrophobicContact CD2-CD1 3.97Å; L129-L132 PolarHBondContact O-N 3.07Å
133	A	77.4	Confident	75.9	Confident	39 Å²	39	77.9 Å²	77.9	32%	0.322	40%	0.402	S	S	.	.	S	Bend	trans	-162.2	167.6	179.7	0	0	0	0	0	110.2	E137 L138	A133-E137 HydrophobicContact CB-CB 3.87Å; A133-L138 HydrophobicContact CB-CD2 4.15Å; A133-L138 HydrophobicContact CB-CG 4.11Å
134	S	79.9	Confident	75.7	Confident	56 Å²	56	75.2 Å²	75.2	39%	0.392	39%	0.39	S	S	.	.			trans	-64.2	155.3	172.6	68.8	0	0	0	0	111.4	V136 E137 L138	S134-V136 PolarHBondContact O-N 2.81Å; S134-V136 VanDerWaalsContact O-N 3.09Å; S134-E137 VanDerWaalsContact CB-OE2 3.28Å; S134-E137 WeakPolarHBondContact CB-OE2 3.47Å; S134-E137 PolarHBondContact N-OE2 2.8Å; S134-E137 PolarHBondContact O-N 3.24Å; S134-E137 VanDerWaalsContact OG-CD 3.26Å; S134-E137 VanDerWaalsContact OG-CG 3.27Å; S134-E137 WeakPolarHBondContact OG-CG 3.25Å; S134-E137 PolarHBondContact OG-N 3.45Å; S134-E137 PolarHBondContact OG-OE2 3.22Å; S134-L138 PolarHBondContact O-N 3.35Å
135	Q	75.7	Confident	75.5	Confident	100 Å²	100	75.7 Å²	75.7	47%	0.467	39%	0.392	S	S	.	.	H	α-helix	trans	-56.1	-30.3	176.9	-73.7	-177.4	1.1	0	0	112.8	K80 Y139	K80-Q135 VanDerWaalsContact NZ-NE2 3.17Å; Q135-Y139 VanDerWaalsContact O-CB 3.32Å; Q135-Y139 WeakPolarHBondContact O-CB 3.26Å; Q135-Y139 PolarHBondContact O-N 3.48Å
136	V	75.6	Confident	74.9	Confident	66 Å²	66	71.5 Å²	71.5	40%	0.4	38%	0.378	S	S	.	.	H	α-helix	trans	-71.2	-45.5	177.2	179.5	0	0	0	0	110.8	S134 Y139 Q140	S134-V136 PolarHBondContact O-N 2.81Å; S134-V136 VanDerWaalsContact O-N 3.09Å; V136-Y139 WeakPolarHBondContact O-CB 3.35Å; V136-Y139 PolarHBondContact O-N 3.44Å; V136-Q140 WeakPolarHBondContact O-CG 3.42Å; V136-Q140 PolarHBondContact O-N 3.43Å
137	E	78.2	Confident	74.4	Confident	104 Å²	104	78 Å²	78	49%	0.486	40%	0.401	S	S	.	.	H	α-helix	trans	-65.2	-42.4	177.2	-72.2	163.2	139.1	0	0	111.6	A133 S134 Y139 Q140 F141	A133-E137 HydrophobicContact CB-CB 3.87Å; S134-E137 VanDerWaalsContact CB-OE2 3.28Å; S134-E137 WeakPolarHBondContact CB-OE2 3.47Å; S134-E137 PolarHBondContact N-OE2 2.8Å; S134-E137 PolarHBondContact O-N 3.24Å; S134-E137 VanDerWaalsContact OG-CD 3.26Å; S134-E137 VanDerWaalsContact OG-CG 3.27Å; S134-E137 WeakPolarHBondContact OG-CG 3.25Å; S134-E137 PolarHBondContact OG-N 3.45Å; S134-E137 PolarHBondContact OG-OE2 3.22Å; E137-Y139 VanDerWaalsContact C-N 3.3Å; E137-Y139 PolarHBondContact O-N 2.79Å; E137-Q140 PolarHBondContact O-N 2.91Å; E137-F141 WeakPolarHBondContact O-CB 3.36Å; E137-F141 PolarHBondContact O-N 2.85Å
138	L	77.5	Confident	73.6	Confident	22 Å²	22	80.1 Å²	80.1	12%	0.115	41%	0.406	C	S	.	.	H	α-helix	trans	-59.6	-42.6	173.7	-70.3	175.1	0	0	0	111.2	L129 A133 S134 F141 R142	L129-L138 HydrophobicContact CB-CD1 4Å; L129-L138 HydrophobicContact CB-CD2 3.92Å; L129-L138 HydrophobicContact CD1-CD2 3.95Å; A133-L138 HydrophobicContact CB-CD2 4.15Å; A133-L138 HydrophobicContact CB-CG 4.11Å; S134-L138 PolarHBondContact O-N 3.35Å; L138-F141 PolarHBondContact O-N 3.4Å; L138-R142 WeakPolarHBondContact O-CG 3.49Å; L138-R142 PolarHBondContact O-N 3.12Å
139	Y	77.6	Confident	72.8	Confident	7 Å²	7	75.5 Å²	75.5	3%	0.027	39%	0.385	C	S	.	.	H	α-helix	trans	-60.1	-48	174.6	172.5	-95.1	0	0	0	111.8	W81 M84 R85 E88 Q135 V136 E137 F141 R142 R143	W81-Y139 AromaticContact CE3-CD2 3.52Å; W81-Y139 HydrophobicContact CE3-CD2 3.52Å; W81-Y139 AromaticContact CE3-CE2 3.79Å; W81-Y139 HydrophobicContact CE3-CE2 3.79Å; W81-Y139 AromaticContact CZ3-CD2 3.43Å; W81-Y139 HydrophobicContact CZ3-CD2 3.43Å; W81-Y139 VanDerWaalsContact CZ3-CD2 3.43Å; W81-Y139 HydrophobicContact CZ3-CE2 4.07Å; W81-Y139 HydrophobicContact CZ3-CG 4.36Å; M84-Y139 HydrophobicContact CB-CD1 4.43Å; M84-Y139 HydrophobicContact CB-CD2 3.64Å; M84-Y139 HydrophobicContact CB-CE2 3.93Å; M84-Y139 HydrophobicContact CB-CG 3.96Å; M84-Y139 HydrophobicContact CE-CD2 3.63Å; M84-Y139 HydrophobicContact CE-CE2 4.46Å; M84-Y139 HydrophobicContact CE-CG 4.33Å; M84-Y139 HydrophobicContact CG-CD2 4.48Å; M84-Y139 HydrophobicContact SD-CD2 4.09Å; M84-Y139 HydrophobicContact SD-CG 4.23Å; R85-Y139 VanDerWaalsContact CA-OH 3.23Å; R85-Y139 WeakPolarHBondContact CA-OH 3.45Å; R85-Y139 HydrophobicContact CB-CE2 4.49Å; R85-Y139 WeakPolarHBondContact CB-OH 3.27Å; E88-Y139 HydrophobicContact CB-CE1 4.34Å; E88-Y139 VanDerWaalsContact OE2-CE1 3.29Å; E88-Y139 WeakPolarHBondContact OE2-CE1 3.23Å; Q135-Y139 VanDerWaalsContact O-CB 3.32Å; Q135-Y139 WeakPolarHBondContact O-CB 3.26Å; Q135-Y139 PolarHBondContact O-N 3.48Å; V136-Y139 WeakPolarHBondContact O-CB 3.35Å; V136-Y139 PolarHBondContact O-N 3.44Å; E137-Y139 VanDerWaalsContact C-N 3.3Å; E137-Y139 PolarHBondContact O-N 2.79Å; Y139-F141 PolarHBondContact O-N 2.92Å; Y139-R142 PolarHBondContact O-N 3.43Å; Y139-R143 WeakPolarHBondContact O-CB 3.35Å; Y139-R143 PolarHBondContact O-N 2.9Å
140	Q	77.5	Confident	71.8	Confident	87 Å²	87	77.5 Å²	77.5	41%	0.407	40%	0.401	S	S	.	.	H	α-helix	trans	-62.5	-42.1	179.1	-74.7	-179.7	-23.3	0	0	112.3	E88 V136 E137 R143 A144	E88-Q140 WeakPolarHBondContact OE1-CG 3.29Å; E88-Q140 PolarHBondContact OE1-NE2 2.64Å; V136-Q140 WeakPolarHBondContact O-CG 3.42Å; V136-Q140 PolarHBondContact O-N 3.43Å; E137-Q140 PolarHBondContact O-N 2.91Å; Q140-R143 PolarHBondContact O-N 2.84Å; Q140-A144 WeakPolarHBondContact O-CB 3.29Å; Q140-A144 PolarHBondContact O-N 3.42Å
141	F	77.5	Confident	71	Confident	112 Å²	112	76.5 Å²	76.5	49%	0.491	40%	0.399	S	S	.	.	H	α-helix	trans	-58.1	-49.4	174.1	173.8	-102.6	0	0	0	111.4	E137 L138 Y139 R143 A144 Q145	E137-F141 WeakPolarHBondContact O-CB 3.36Å; E137-F141 PolarHBondContact O-N 2.85Å; L138-F141 PolarHBondContact O-N 3.4Å; Y139-F141 PolarHBondContact O-N 2.92Å; F141-R143 PolarHBondContact O-N 3.05Å; F141-A144 WeakPolarHBondContact O-CB 3.28Å; F141-A144 PolarHBondContact O-N 2.97Å; F141-A144 VanDerWaalsContact O-N 3.14Å; F141-Q145 VanDerWaalsContact CE1-CD 3.4Å; F141-Q145 HydrophobicContact CE1-CG 4.16Å; F141-Q145 HydrophobicContact CZ-CG 4.13Å; F141-Q145 PolarHBondContact O-N 3.29Å
142	R	74.7	Confident	69.9	Low	14 Å²	14	78 Å²	78	5%	0.053	39%	0.393	C	S	.	.	H	α-helix	trans	-67.1	-35.6	179.3	-66	-159.3	-166.1	134.3	-7.5	112.4	I57 H74 W81 E126 L138 Y139 A144 Q145 Q146	I57-R142 HydrophobicContact CD1-CB 4.04Å; I57-R142 HydrophobicContact CD1-CG 4.26Å; H74-R142 PolarHBondContact O-NH1 3.22Å; W81-R142 HydrophobicContact CH2-CB 4.35Å; W81-R142 HydrophobicContact CH2-CG 4.41Å; W81-R142 HydrophobicContact CZ3-CB 4.43Å; E126-R142 IonicContact OE1-NH2 3.87Å; E126-R142 IonicContact OE2-CZ 2.79Å; E126-R142 VanDerWaalsContact OE2-CZ 3.3Å; E126-R142 IonicContact OE2-NE 3.99Å; E126-R142 IonicContact OE2-NH2 3.65Å; E126-R142 PolarHBondContact OE2-NH2 3.46Å; L138-R142 WeakPolarHBondContact O-CG 3.49Å; L138-R142 PolarHBondContact O-N 3.12Å; Y139-R142 PolarHBondContact O-N 3.43Å; R142-A144 VanDerWaalsContact C-N 3.31Å; R142-A144 PolarHBondContact O-N 3.18Å; R142-Q145 PolarHBondContact O-N 3.37Å; R142-Q146 WeakPolarHBondContact O-CG 3.46Å; R142-Q146 PolarHBondContact O-N 3Å
143	R	72.2	Confident	68.6	Low	55 Å²	55	76.5 Å²	76.5	21%	0.208	38%	0.382	C	S	.	.	H	α-helix	trans	-63.7	-37.4	172.2	-167.6	-178.1	179.5	-151	4.4	111.4	E88 E89 Y139 Q140 F141 Q146 R147	E88-R143 IonicContact OE1-NH1 3.35Å; E88-R143 WeakPolarHBondContact OE2-CD 3.31Å; E88-R143 IonicContact OE2-CZ 3.26Å; E88-R143 IonicContact OE2-NE 3.69Å; E88-R143 IonicContact OE2-NH1 2.99Å; E88-R143 PolarHBondContact OE2-NH1 2.96Å; E89-R143 IonicContact OE1-CZ 3.57Å; E89-R143 IonicContact OE1-NH2 3.72Å; E89-R143 PolarHBondContact OE1-NH2 3.08Å; Y139-R143 WeakPolarHBondContact O-CB 3.35Å; Y139-R143 PolarHBondContact O-N 2.9Å; Q140-R143 PolarHBondContact O-N 2.84Å; F141-R143 PolarHBondContact O-N 3.05Å; R143-Q146 PolarHBondContact O-N 3.09Å; R143-R147 WeakPolarHBondContact O-CG 3.3Å; R143-R147 PolarHBondContact O-N 2.9Å
144	A	68.4	Low	67.4	Low	47 Å²	47	75.5 Å²	75.5	39%	0.388	37%	0.372	S	S	.	.	H	α-helix	trans	-66.4	-44.3	174.3	0	0	0	0	0	111.7	Q140 F141 R142 Q146 R147 L148	Q140-A144 WeakPolarHBondContact O-CB 3.29Å; Q140-A144 PolarHBondContact O-N 3.42Å; F141-A144 WeakPolarHBondContact O-CB 3.28Å; F141-A144 PolarHBondContact O-N 2.97Å; F141-A144 VanDerWaalsContact O-N 3.14Å; R142-A144 VanDerWaalsContact C-N 3.31Å; R142-A144 PolarHBondContact O-N 3.18Å; A144-Q146 VanDerWaalsContact C-N 3.33Å; A144-Q146 PolarHBondContact O-N 3.4Å; A144-R147 PolarHBondContact O-N 2.97Å; A144-R147 VanDerWaalsContact O-N 3.13Å; A144-L148 WeakPolarHBondContact O-CG 3.26Å; A144-L148 PolarHBondContact O-N 3.37Å; A144-L148 VanDerWaalsContact O-N 3.16Å
145	Q	70	Confident	66.1	Low	82 Å²	82	73.5 Å²	73.5	38%	0.383	36%	0.357	S	S	.	.	H	α-helix	trans	-56.1	-47.6	173.3	-69.9	-179.4	-53.5	0	0	111.3	F141 R142 R147 L148 V149	F141-Q145 VanDerWaalsContact CE1-CD 3.4Å; F141-Q145 HydrophobicContact CE1-CG 4.16Å; F141-Q145 HydrophobicContact CZ-CG 4.13Å; F141-Q145 PolarHBondContact O-N 3.29Å; R142-Q145 PolarHBondContact O-N 3.37Å; Q145-R147 VanDerWaalsContact C-N 3.28Å; Q145-R147 PolarHBondContact O-N 3.19Å; Q145-L148 WeakPolarHBondContact O-CA 3.35Å; Q145-L148 WeakPolarHBondContact O-CB 3.47Å; Q145-L148 PolarHBondContact O-N 2.95Å; Q145-V149 PolarHBondContact O-N 3.44Å
146	Q	67.2	Low	65	Low	36 Å²	36	70.7 Å²	70.7	17%	0.168	35%	0.351	C	S	.	.	H	α-helix	trans	-61.1	-33.1	177.3	-75.8	-73.3	-28	0	0	113.3	H56 I57 S68 R142 R143 A144 L148 V149	H56-Q146 PolarHBondContact CE1-OE1 2.88Å; I57-Q146 HydrophobicContact CG2-CG 3.74Å; S68-Q146 PolarHBondContact O-NE2 3.27Å; S68-Q146 VanDerWaalsContact O-NE2 3.13Å; R142-Q146 WeakPolarHBondContact O-CG 3.46Å; R142-Q146 PolarHBondContact O-N 3Å; R143-Q146 PolarHBondContact O-N 3.09Å; A144-Q146 VanDerWaalsContact C-N 3.33Å; A144-Q146 PolarHBondContact O-N 3.4Å; Q146-L148 VanDerWaalsContact C-N 3.3Å; Q146-L148 PolarHBondContact O-N 3.05Å; Q146-V149 WeakPolarHBondContact O-CB 3.28Å; Q146-V149 PolarHBondContact O-N 2.96Å
147	R	66.2	Low	63.9	Low	170 Å²	170	69.4 Å²	69.4	64%	0.642	34%	0.339	S	S	*	.	H	α-helix	trans	-71.3	-25.4	174.1	-74.4	171.4	175.3	171.6	-2.4	113.1	R143 A144 Q145 V149	R143-R147 WeakPolarHBondContact O-CG 3.3Å; R143-R147 PolarHBondContact O-N 2.9Å; A144-R147 PolarHBondContact O-N 2.97Å; A144-R147 VanDerWaalsContact O-N 3.13Å; Q145-R147 VanDerWaalsContact C-N 3.28Å; Q145-R147 PolarHBondContact O-N 3.19Å; R147-V149 VanDerWaalsContact C-N 3.29Å
148	L	60.2	Low	62.8	Low	141 Å²	141	68.5 Å²	68.5	74%	0.738	34%	0.335	S	S	*	.	H	α-helix	trans	-74.8	-24.1	173.4	-63.1	171.8	0	0	0	111.6	A144 Q145 Q146 S150	A144-L148 WeakPolarHBondContact O-CG 3.26Å; A144-L148 PolarHBondContact O-N 3.37Å; A144-L148 VanDerWaalsContact O-N 3.16Å; Q145-L148 WeakPolarHBondContact O-CA 3.35Å; Q145-L148 WeakPolarHBondContact O-CB 3.47Å; Q145-L148 PolarHBondContact O-N 2.95Å; Q146-L148 VanDerWaalsContact C-N 3.3Å; Q146-L148 PolarHBondContact O-N 3.05Å; L148-S150 VanDerWaalsContact C-N 3.35Å; L148-S150 PolarHBondContact O-N 3.39Å
149	V	59.2	Low	61.8	Low	21 Å²	21	68.4 Å²	68.4	13%	0.127	33%	0.334	C	S	.	.			trans	-72.8	87.8	172.6	-176.7	0	0	0	0	109.3	Q145 Q146 R147 T151 T154 D155	Q145-V149 PolarHBondContact O-N 3.44Å; Q146-V149 WeakPolarHBondContact O-CB 3.28Å; Q146-V149 PolarHBondContact O-N 2.96Å; R147-V149 VanDerWaalsContact C-N 3.29Å; V149-T151 VanDerWaalsContact C-N 3.29Å; V149-T151 PolarHBondContact O-N 3.46Å; V149-T154 HydrophobicContact CG1-CG2 4.2Å; V149-D155 HydrophobicContact CG1-CB 3.62Å
150	S	54.8	Low	60.6	Low	77 Å²	77	71.3 Å²	71.3	54%	0.538	35%	0.349	S	S	.	.			trans	-71.3	-16.8	-171.9	63.4	0	0	0	0	115.2	L148	L148-S150 VanDerWaalsContact C-N 3.35Å; L148-S150 PolarHBondContact O-N 3.39Å
151	T	53.1	Low	59.5	Low	65 Å²	65	69.8 Å²	69.8	40%	0.399	34%	0.343	S	S	.	.	S	Bend	trans	-149.4	154.8	-177.7	63.2	0	0	0	0	111.8	V149 E153 T154 D155	V149-T151 VanDerWaalsContact C-N 3.29Å; V149-T151 PolarHBondContact O-N 3.46Å; T151-E153 PolarHBondContact O-N 3.45Å; T151-E153 VanDerWaalsContact O-N 3.15Å; T151-T154 WeakPolarHBondContact O-CA 3.45Å; T151-T154 VanDerWaalsContact O-CB 3.3Å; T151-T154 WeakPolarHBondContact O-CB 3.24Å; T151-T154 PolarHBondContact O-N 3.48Å; T151-T154 PolarHBondContact OG1-N 3.2Å; T151-T154 PolarHBondContact OG1-OG1 3.33Å; T151-D155 PolarHBondContact O-N 2.9Å
152	Y	49.2	Very low	58.3	Low	201 Å²	201	66.2 Å²	66.2	79%	0.788	33%	0.329	S	S	*	.	H	α-helix	trans	-52.1	-32.9	171.3	-81.2	-77.2	0	0	0	113	D155 A156	Y152-D155 PolarHBondContact O-N 3.34Å; Y152-A156 PolarHBondContact O-N 3.22Å
153	E	49.3	Very low	57.1	Low	104 Å²	104	66 Å²	66	49%	0.486	33%	0.33	S	S	.	.	H	α-helix	trans	-67.8	-35.4	174.8	-67.7	-175.7	152.2	0	0	112.8	T151 D155 A156 R157	T151-E153 PolarHBondContact O-N 3.45Å; T151-E153 VanDerWaalsContact O-N 3.15Å; E153-D155 VanDerWaalsContact C-N 3.3Å; E153-A156 PolarHBondContact O-N 3.07Å; E153-R157 VanDerWaalsContact O-CB 3.28Å; E153-R157 WeakPolarHBondContact O-CB 3.49Å; E153-R157 PolarHBondContact O-N 2.81Å
154	T	52.5	Low	56	Low	19 Å²	19	65.3 Å²	65.3	12%	0.117	34%	0.336	C	S	.	.	H	α-helix	trans	-64.2	-41.7	177.1	-49.9	0	0	0	0	109.8	V149 T151 R157 E158	V149-T154 HydrophobicContact CG1-CG2 4.2Å; T151-T154 WeakPolarHBondContact O-CA 3.45Å; T151-T154 VanDerWaalsContact O-CB 3.3Å; T151-T154 WeakPolarHBondContact O-CB 3.24Å; T151-T154 PolarHBondContact O-N 3.48Å; T151-T154 PolarHBondContact OG1-N 3.2Å; T151-T154 PolarHBondContact OG1-OG1 3.33Å; T154-R157 WeakPolarHBondContact O-CB 3.37Å; T154-R157 PolarHBondContact O-N 3.19Å; T154-E158 PolarHBondContact O-N 3.37Å
155	D	51.5	Low	54.9	Low	14 Å²	14	70.9 Å²	70.9	8%	0.075	35%	0.347	C	S	.	.	H	α-helix	trans	-64	-49.2	176.9	-156.3	33.4	0	0	0	111	T66 S68 V149 T151 Y152 E153 R157 E158 H159	T66-D155 WeakPolarHBondContact CB-OD2 3.5Å; T66-D155 HydrophobicContact CG2-CB 4.08Å; T66-D155 WeakPolarHBondContact CG2-OD2 3.27Å; T66-D155 PolarHBondContact OG1-OD2 3.08Å; S68-D155 PolarHBondContact OG-OD1 3.01Å; V149-D155 HydrophobicContact CG1-CB 3.62Å; T151-D155 PolarHBondContact O-N 2.9Å; Y152-D155 PolarHBondContact O-N 3.34Å; E153-D155 VanDerWaalsContact C-N 3.3Å; D155-R157 PolarHBondContact O-N 2.95Å; D155-R157 VanDerWaalsContact O-N 3.16Å; D155-E158 PolarHBondContact O-N 3.1Å; D155-H159 WeakPolarHBondContact O-CB 3.41Å; D155-H159 PolarHBondContact O-N 3.44Å
156	A	51.9	Low	53.8	Low	40 Å²	40	67.5 Å²	67.5	33%	0.331	33%	0.332	S	S	.	.	H	α-helix	trans	-60.3	-26.3	176.1	0	0	0	0	0	112.8	Y152 E153 H159 L160	Y152-A156 PolarHBondContact O-N 3.22Å; E153-A156 PolarHBondContact O-N 3.07Å; A156-H159 WeakPolarHBondContact O-CB 3.41Å; A156-L160 VanDerWaalsContact O-CG 3.31Å; A156-L160 WeakPolarHBondContact O-CG 3.34Å; A156-L160 PolarHBondContact O-N 2.88Å
157	R	53.2	Low	52.9	Low	40 Å²	40	67.5 Å²	67.5	15%	0.151	34%	0.338	C	S	.	.	H	α-helix	trans	-81.9	-47.5	178.9	-167.9	-170.8	79.5	88.8	-0.9	113	E153 T154 D155 H159 L160 L161 L215	E153-R157 VanDerWaalsContact O-CB 3.28Å; E153-R157 WeakPolarHBondContact O-CB 3.49Å; E153-R157 PolarHBondContact O-N 2.81Å; T154-R157 WeakPolarHBondContact O-CB 3.37Å; T154-R157 PolarHBondContact O-N 3.19Å; D155-R157 PolarHBondContact O-N 2.95Å; D155-R157 VanDerWaalsContact O-N 3.16Å; R157-H159 PolarHBondContact O-N 2.96Å; R157-L160 PolarHBondContact O-N 3.05Å; R157-L160 VanDerWaalsContact O-N 3.16Å; R157-L161 PolarHBondContact O-N 3.48Å; R157-L215 VanDerWaalsContact CD-CD2 3.43Å
158	E	55	Low	51.9	Low	84 Å²	84	63.8 Å²	63.8	39%	0.393	34%	0.338	S	S	.	.	H	α-helix	trans	-56.3	-37.2	172.8	-72.9	-166.4	165.9	0	0	110.4	T154 D155 L161 L162	T154-E158 PolarHBondContact O-N 3.37Å; D155-E158 PolarHBondContact O-N 3.1Å; E158-L161 PolarHBondContact O-N 3.37Å; E158-L162 VanDerWaalsContact O-CB 3.31Å; E158-L162 WeakPolarHBondContact O-CB 3.47Å; E158-L162 PolarHBondContact O-N 3.28Å
159	H	55.9	Low	51.3	Low	21 Å²	21	63.1 Å²	63.1	10%	0.097	34%	0.335	C	S	.	.	H	α-helix	trans	-58.9	-51.9	172.8	-176.6	57.1	0	0	0	114.6	P47 V65 T66 L67 D155 A156 R157 L161 L162 C163	P47-H159 WeakPolarHBondContact CD-CE1 3.3Å; P47-H159 WeakPolarHBondContact CD-NE2 3.25Å; P47-H159 WeakPolarHBondContact CG-CE1 3.48Å; P47-H159 WeakPolarHBondContact CG-NE2 3.11Å; V65-H159 PolarHBondContact O-NE2 3.15Å; T66-H159 VanDerWaalsContact CA-CE1 3.44Å; T66-H159 WeakPolarHBondContact CA-CE1 3.28Å; T66-H159 WeakPolarHBondContact CA-ND1 3.28Å; T66-H159 HydrophobicContact CG2-CB 3.81Å; L67-H159 PolarHBondContact N-CE1 2.93Å; L67-H159 PolarHBondContact N-ND1 3.02Å; D155-H159 WeakPolarHBondContact O-CB 3.41Å; D155-H159 PolarHBondContact O-N 3.44Å; A156-H159 WeakPolarHBondContact O-CB 3.41Å; R157-H159 PolarHBondContact O-N 2.96Å; H159-L161 VanDerWaalsContact C-N 3.3Å; H159-L161 PolarHBondContact O-N 3.18Å; H159-L162 PolarHBondContact O-N 3.29Å; H159-C163 WeakPolarHBondContact O-CB 3.18Å; H159-C163 PolarHBondContact O-N 3.46Å; H159-C163 PolarHBondContact O-SG 3.07Å; H159-C163 VanDerWaalsContact O-SG 3.33Å
160	L	53.7	Low	50.6	Low	67 Å²	67	64.8 Å²	64.8	35%	0.351	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-39.2	177.6	-73.4	168.2	0	0	0	111.9	A156 R157 C163 A164	A156-L160 VanDerWaalsContact O-CG 3.31Å; A156-L160 WeakPolarHBondContact O-CG 3.34Å; A156-L160 PolarHBondContact O-N 2.88Å; R157-L160 PolarHBondContact O-N 3.05Å; R157-L160 VanDerWaalsContact O-N 3.16Å; L160-C163 PolarHBondContact O-N 2.92Å; L160-A164 PolarHBondContact O-N 2.73Å
161	L	54.2	Low	50	Low	55 Å²	55	64.5 Å²	64.5	29%	0.288	36%	0.357	S	S	.	.	H	α-helix	trans	-65.6	-40.3	175.9	-81.5	164.5	0	0	0	112.6	R157 E158 H159 A164 R165	R157-L161 PolarHBondContact O-N 3.48Å; E158-L161 PolarHBondContact O-N 3.37Å; H159-L161 VanDerWaalsContact C-N 3.3Å; H159-L161 PolarHBondContact O-N 3.18Å; L161-A164 PolarHBondContact O-N 2.94Å; L161-R165 PolarHBondContact O-N 2.94Å
162	L	52	Low	49.4	Very low	38 Å²	38	69.2 Å²	69.2	20%	0.199	38%	0.38	C	S	.	.	H	α-helix	trans	-67.6	-43.6	176.7	-176.2	62.9	0	0	0	110.8	L67 Y73 E158 H159 A164 R165 V166	L67-L162 HydrophobicContact CB-CD2 3.6Å; L67-L162 HydrophobicContact CD1-CD2 3.64Å; L67-L162 HydrophobicContact CD1-CG 3.9Å; L67-L162 HydrophobicContact CG-CD2 4.26Å; Y73-L162 HydrophobicContact CE1-CD2 3.89Å; E158-L162 VanDerWaalsContact O-CB 3.31Å; E158-L162 WeakPolarHBondContact O-CB 3.47Å; E158-L162 PolarHBondContact O-N 3.28Å; H159-L162 PolarHBondContact O-N 3.29Å; L162-A164 VanDerWaalsContact C-N 3.29Å; L162-A164 PolarHBondContact O-N 3.49Å; L162-R165 PolarHBondContact O-N 2.93Å; L162-V166 HydrophobicContact CD1-CG2 4.27Å; L162-V166 HydrophobicContact CG-CG2 4.39Å; L162-V166 VanDerWaalsContact O-CG2 3.28Å; L162-V166 WeakPolarHBondContact O-CG2 3.29Å; L162-V166 PolarHBondContact O-N 3.33Å
163	C	50.1	Low	48.8	Very low	8 Å²	8	63.9 Å²	63.9	5%	0.054	37%	0.368	C	S	.	.	H	α-helix	trans	-55.4	-44.5	172.9	-76.1	0	0	0	0	111.9	F120 H159 L160 A167	F120-C163 HydrophobicContact CB-CB 3.71Å; F120-C163 HydrophobicContact CG-CB 4.27Å; H159-C163 WeakPolarHBondContact O-CB 3.18Å; H159-C163 PolarHBondContact O-N 3.46Å; H159-C163 PolarHBondContact O-SG 3.07Å; H159-C163 VanDerWaalsContact O-SG 3.33Å; L160-C163 PolarHBondContact O-N 2.92Å; C163-A167 PolarHBondContact O-N 2.75Å; C163-A167 VanDerWaalsContact O-N 3.11Å
164	A	47.6	Very low	48.3	Very low	41 Å²	41	63.7 Å²	63.7	34%	0.339	38%	0.376	S	S	.	.	H	α-helix	trans	-62.2	-46.1	176	0	0	0	0	0	112	L160 L161 L162 V166 A167 S168	L160-A164 PolarHBondContact O-N 2.73Å; L161-A164 PolarHBondContact O-N 2.94Å; L162-A164 VanDerWaalsContact C-N 3.29Å; L162-A164 PolarHBondContact O-N 3.49Å; A164-V166 PolarHBondContact O-N 2.79Å; A164-A167 PolarHBondContact O-N 3.36Å; A164-S168 PolarHBondContact O-N 2.99Å; A164-S168 PolarHBondContact O-OG 3.3Å; A164-S168 VanDerWaalsContact O-OG 3.06Å
165	R	46.6	Very low	47.7	Very low	165 Å²	165	69 Å²	69	62%	0.623	40%	0.403	S	S	*	.	H	α-helix	trans	-62.7	-41.2	178.9	-110.7	179.9	-86.9	167.8	-8.1	113.1	L161 L162 A167 S168 N169	L161-R165 PolarHBondContact O-N 2.94Å; L162-R165 PolarHBondContact O-N 2.93Å; R165-A167 VanDerWaalsContact C-N 3.32Å; R165-S168 WeakPolarHBondContact O-CB 3.36Å; R165-S168 PolarHBondContact O-N 3.25Å; R165-N169 PolarHBondContact O-N 3.45Å
166	V	46.6	Very low	47.1	Very low	11 Å²	11	75.3 Å²	75.3	7%	0.067	44%	0.437	C	S	.	.	H	α-helix	trans	-68.9	-34.1	179.4	174.8	0	0	0	0	111.5	T122 Q124 L162 A164 N169 S170	T122-V166 WeakPolarHBondContact OG1-CG1 3.45Å; Q124-V166 HydrophobicContact CB-CG1 3.87Å; Q124-V166 HydrophobicContact CG-CG1 3.9Å; L162-V166 HydrophobicContact CD1-CG2 4.27Å; L162-V166 HydrophobicContact CG-CG2 4.39Å; L162-V166 VanDerWaalsContact O-CG2 3.28Å; L162-V166 WeakPolarHBondContact O-CG2 3.29Å; L162-V166 PolarHBondContact O-N 3.33Å; A164-V166 PolarHBondContact O-N 2.79Å; V166-N169 PolarHBondContact O-N 3.24Å; V166-S170 PolarHBondContact O-OG 2.72Å
167	A	47.1	Very low	46.5	Very low	35 Å²	35	75.7 Å²	75.7	29%	0.289	44%	0.44	S	S	.	.	H	α-helix	trans	-64.4	-39.2	173.8	0	0	0	0	0	111.9	C163 A164 R165 N169 S170	C163-A167 PolarHBondContact O-N 2.75Å; C163-A167 VanDerWaalsContact O-N 3.11Å; A164-A167 PolarHBondContact O-N 3.36Å; R165-A167 VanDerWaalsContact C-N 3.32Å; A167-N169 PolarHBondContact O-N 3.32Å; A167-S170 PolarHBondContact O-N 2.74Å
168	S	46.8	Very low	45.8	Very low	92 Å²	92	76.6 Å²	76.6	64%	0.643	45%	0.446	S	S	*	.	H	α-helix	trans	-60.6	-31.6	177.1	-47.3	0	0	0	0	113.6	A164 R165	A164-S168 PolarHBondContact O-N 2.99Å; A164-S168 PolarHBondContact O-OG 3.3Å; A164-S168 VanDerWaalsContact O-OG 3.06Å; R165-S168 WeakPolarHBondContact O-CB 3.36Å; R165-S168 PolarHBondContact O-N 3.25Å
169	N	46.2	Very low	44.8	Very low	127 Å²	127	76.3 Å²	76.3	68%	0.679	45%	0.453	S	S	*	.	H	α-helix	trans	-83.5	-13.1	-179.5	-75	-6.5	0	0	0	113.6	R165 V166 A167 G171	R165-N169 PolarHBondContact O-N 3.45Å; V166-N169 PolarHBondContact O-N 3.24Å; A167-N169 PolarHBondContact O-N 3.32Å; N169-G171 PolarHBondContact O-N 2.99Å
170	S	44.7	Very low	43.9	Very low	56 Å²	56	81.5 Å²	81.5	39%	0.392	48%	0.477	S	S	.	.			trans	-90.5	75.8	178	-60.9	0	0	0	0	109.2	V166 A167 N172	V166-S170 PolarHBondContact O-OG 2.72Å; A167-S170 PolarHBondContact O-N 2.74Å; S170-N172 PolarHBondContact O-N 3.48Å
171	G	42.9	Very low	42.9	Very low	72 Å²	72	82.3 Å²	82.3	74%	0.742	48%	0.482	S	S	*	.			trans	-68.3	51.8	-171.5	0	0	0	0	0	116.5	N169	N169-G171 PolarHBondContact O-N 2.99Å
172	N	40.4	Very low	42.1	Very low	163 Å²	163	84.1 Å²	84.1	87%	0.872	49%	0.491	S	S	*	.			trans	-145.1	31.1	-176.3	-106.9	-8	0	0	0	115.7	S170	S170-N172 PolarHBondContact O-N 3.48Å
173	V	37.4	Very low	41.2	Very low	89 Å²	89	89 Å²	89	54%	0.539	51%	0.512	S	S	.	.	S	Bend	trans	-131.5	137.5	175.5	-176.1	0	0	0	0	108.2	N175 F178	V173-N175 PolarHBondContact O-N 3.14Å; V173-F178 VanDerWaalsContact C-CE2 3.41Å; V173-F178 HydrophobicContact CB-CD2 4.48Å; V173-F178 HydrophobicContact CB-CE2 3.22Å; V173-F178 HydrophobicContact CB-CZ 3.46Å; V173-F178 VanDerWaalsContact CB-CZ 3.46Å; V173-F178 HydrophobicContact CG1-CD2 4.41Å; V173-F178 HydrophobicContact CG1-CE2 3.32Å; V173-F178 HydrophobicContact CG1-CZ 3.73Å; V173-F178 HydrophobicContact CG2-CE2 4.48Å; V173-F178 HydrophobicContact CG2-CZ 4.31Å; V173-F178 WeakPolarHBondContact O-CE2 3.31Å
174	P	37	Very low	40.5	Very low	100 Å²	100	94.9 Å²	94.9	65%	0.649	54%	0.537	S	S	*	.			trans	-66	126.7	-164.1	22	-33.4	0	0	0	113.4	N176 A177 F178	P174-N176 PolarHBondContact O-N 3.28Å; P174-A177 PolarHBondContact O-N 2.9Å; P174-A177 VanDerWaalsContact O-N 3.14Å; P174-F178 WeakPolarHBondContact O-CD2 3.46Å
175	N	41.3	Very low	40	Very low	131 Å²	131	94.3 Å²	94.3	70%	0.701	53%	0.533	S	S	*	.	H	α-helix	trans	-44.9	-28.1	-174.1	-71.1	-16.2	0	0	0	115.9	V173 F178 S179	V173-N175 PolarHBondContact O-N 3.14Å; N175-F178 PolarHBondContact O-N 3.1Å; N175-S179 PolarHBondContact O-OG 3.48Å
176	N	39.1	Very low	39.6	Very low	146 Å²	146	90.5 Å²	90.5	78%	0.781	53%	0.528	S	S	*	.	H	α-helix	trans	-76.8	-28.9	-175.5	-72	2.2	0	0	0	113.9	P174 F178	P174-N176 PolarHBondContact O-N 3.28Å; N176-F178 VanDerWaalsContact C-N 3.31Å
177	A	38.3	Very low	39.6	Very low	48 Å²	48	95 Å²	95	40%	0.397	55%	0.548	S	S	.	.	H	α-helix	trans	-82.6	-12	173.5	0	0	0	0	0	112.5	P174 N181	P174-A177 PolarHBondContact O-N 2.9Å; P174-A177 VanDerWaalsContact O-N 3.14Å; A177-N181 PolarHBondContact O-ND2 2.88Å
178	F	37.8	Very low	40.1	Very low	60 Å²	60	95.4 Å²	95.4	26%	0.263	54%	0.544	S	S	.	.	H	α-helix	trans	-79.6	-42.2	179	-86.2	-88.5	0	0	0	113.3	V173 P174 N175 N176 E180 N181 I182	V173-F178 VanDerWaalsContact C-CE2 3.41Å; V173-F178 HydrophobicContact CB-CD2 4.48Å; V173-F178 HydrophobicContact CB-CE2 3.22Å; V173-F178 HydrophobicContact CB-CZ 3.46Å; V173-F178 VanDerWaalsContact CB-CZ 3.46Å; V173-F178 HydrophobicContact CG1-CD2 4.41Å; V173-F178 HydrophobicContact CG1-CE2 3.32Å; V173-F178 HydrophobicContact CG1-CZ 3.73Å; V173-F178 HydrophobicContact CG2-CE2 4.48Å; V173-F178 HydrophobicContact CG2-CZ 4.31Å; V173-F178 WeakPolarHBondContact O-CE2 3.31Å; P174-F178 WeakPolarHBondContact O-CD2 3.46Å; N175-F178 PolarHBondContact O-N 3.1Å; N176-F178 VanDerWaalsContact C-N 3.31Å; F178-E180 VanDerWaalsContact C-N 3.28Å; F178-E180 PolarHBondContact O-N 2.76Å; F178-N181 PolarHBondContact O-N 2.86Å; F178-I182 HydrophobicContact CB-CD1 4.47Å; F178-I182 WeakPolarHBondContact O-CB 3.43Å; F178-I182 VanDerWaalsContact O-CG1 3.3Å; F178-I182 WeakPolarHBondContact O-CG1 3.33Å; F178-I182 PolarHBondContact O-N 2.53Å
179	S	35	Very low	41	Very low	77 Å²	77	93.6 Å²	93.6	54%	0.538	52%	0.523	S	S	.	.	H	α-helix	trans	-58.5	-43.8	-178.3	-55.8	0	0	0	0	110.9	N175 E183	N175-S179 PolarHBondContact O-OG 3.48Å; S179-E183 PolarHBondContact O-N 3.07Å
180	E	36	Very low	42.4	Very low	130 Å²	130	88.5 Å²	88.5	61%	0.607	50%	0.496	S	S	*	.	H	α-helix	trans	-65.4	-44.8	176.3	-70.2	-175.6	163.2	0	0	112.1	F178 I182 E183 F184	F178-E180 VanDerWaalsContact C-N 3.28Å; F178-E180 PolarHBondContact O-N 2.76Å; E180-I182 PolarHBondContact O-N 2.76Å; E180-E183 PolarHBondContact O-N 3.17Å; E180-F184 VanDerWaalsContact O-CD2 3.29Å; E180-F184 WeakPolarHBondContact O-CD2 3.42Å; E180-F184 PolarHBondContact O-N 2.97Å; E180-F184 VanDerWaalsContact O-N 3.13Å
181	N	34.3	Very low	44	Very low	85 Å²	85	93.9 Å²	93.9	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-74.1	-25.2	-176.9	-75.5	-55.2	0	0	0	114	A177 F178 F184 A185	A177-N181 PolarHBondContact O-ND2 2.88Å; F178-N181 PolarHBondContact O-N 2.86Å; N181-F184 PolarHBondContact O-N 3.48Å; N181-A185 WeakPolarHBondContact O-CB 3.39Å; N181-A185 PolarHBondContact O-N 2.65Å
182	I	35.9	Very low	46	Very low	93 Å²	93	91.1 Å²	91.1	48%	0.477	48%	0.477	S	S	.	.	H	α-helix	trans	-73.8	-35.7	171.9	-67.7	169.9	0	0	0	110.4	F178 E180 F184 A185 T186	F178-I182 HydrophobicContact CB-CD1 4.47Å; F178-I182 WeakPolarHBondContact O-CB 3.43Å; F178-I182 VanDerWaalsContact O-CG1 3.3Å; F178-I182 WeakPolarHBondContact O-CG1 3.33Å; F178-I182 PolarHBondContact O-N 2.53Å; E180-I182 PolarHBondContact O-N 2.76Å; I182-F184 VanDerWaalsContact C-N 3.3Å; I182-F184 PolarHBondContact O-N 3.33Å; I182-A185 PolarHBondContact O-N 2.99Å; I182-T186 HydrophobicContact CG2-CG2 4.24Å; I182-T186 WeakPolarHBondContact O-CB 3.37Å; I182-T186 WeakPolarHBondContact O-CG2 3.46Å; I182-T186 PolarHBondContact O-N 3.46Å; I182-T186 PolarHBondContact O-OG1 2.86Å
183	E	33.9	Very low	48.5	Very low	139 Å²	139	83.4 Å²	83.4	65%	0.65	44%	0.435	S	S	*	.	H	α-helix	trans	-60.6	-41.8	170.4	-76.8	-176	166	0	0	111	S179 E180 A185 T186 E187	S179-E183 PolarHBondContact O-N 3.07Å; E180-E183 PolarHBondContact O-N 3.17Å; E183-A185 PolarHBondContact O-N 2.8Å; E183-T186 WeakPolarHBondContact CA-OG1 3.31Å; E183-T186 CarbonylContact O-C 3.5Å; E183-T186 PolarHBondContact O-N 2.89Å; E183-T186 PolarHBondContact O-OG1 3.28Å; E183-E187 PolarHBondContact O-N 2.86Å
184	F	36	Very low	51.2	Low	132 Å²	132	81 Å²	81	58%	0.579	42%	0.419	S	S	*	.	H	α-helix	trans	-64.6	-36.8	172.8	-84.6	-78	0	0	0	113.4	E180 N181 I182 E187	E180-F184 VanDerWaalsContact O-CD2 3.29Å; E180-F184 WeakPolarHBondContact O-CD2 3.42Å; E180-F184 PolarHBondContact O-N 2.97Å; E180-F184 VanDerWaalsContact O-N 3.13Å; N181-F184 PolarHBondContact O-N 3.48Å; I182-F184 VanDerWaalsContact C-N 3.3Å; I182-F184 PolarHBondContact O-N 3.33Å; F184-E187 HydrophobicContact CD1-CG 4.5Å; F184-E187 WeakPolarHBondContact CD1-OE1 3.29Å; F184-E187 WeakPolarHBondContact CE1-OE1 3.43Å; F184-E187 VanDerWaalsContact O-CB 3.3Å; F184-E187 WeakPolarHBondContact O-CB 3.15Å; F184-E187 WeakPolarHBondContact O-CG 3.42Å; F184-E187 PolarHBondContact O-N 2.73Å
185	A	37	Very low	54	Low	30 Å²	30	76.6 Å²	76.6	25%	0.248	39%	0.39	C	S	.	.	H	α-helix	trans	-76.8	-23	178.5	0	0	0	0	0	113.8	F120 N181 I182 E183 R189	F120-A185 HydrophobicContact CZ-CB 4.34Å; N181-A185 WeakPolarHBondContact O-CB 3.39Å; N181-A185 PolarHBondContact O-N 2.65Å; I182-A185 PolarHBondContact O-N 2.99Å; E183-A185 PolarHBondContact O-N 2.8Å; A185-R189 PolarHBondContact O-NH1 3.38Å
186	T	37.2	Very low	56.4	Low	85 Å²	85	70.9 Å²	70.9	52%	0.521	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.7	173.1	55.1	0	0	0	0	113	I182 E183 Q188	I182-T186 HydrophobicContact CG2-CG2 4.24Å; I182-T186 WeakPolarHBondContact O-CB 3.37Å; I182-T186 WeakPolarHBondContact O-CG2 3.46Å; I182-T186 PolarHBondContact O-N 3.46Å; I182-T186 PolarHBondContact O-OG1 2.86Å; E183-T186 WeakPolarHBondContact CA-OG1 3.31Å; E183-T186 CarbonylContact O-C 3.5Å; E183-T186 PolarHBondContact O-N 2.89Å; E183-T186 PolarHBondContact O-OG1 3.28Å; T186-Q188 PolarHBondContact O-N 2.64Å
187	E	47.9	Very low	58.9	Low	104 Å²	104	70 Å²	70	49%	0.486	36%	0.361	S	S	.	.	S	Bend	trans	-46.7	134	170.9	-84.8	179.9	169.2	0	0	110.4	E183 F184 R189	E183-E187 PolarHBondContact O-N 2.86Å; F184-E187 HydrophobicContact CD1-CG 4.5Å; F184-E187 WeakPolarHBondContact CD1-OE1 3.29Å; F184-E187 WeakPolarHBondContact CE1-OE1 3.43Å; F184-E187 VanDerWaalsContact O-CB 3.3Å; F184-E187 WeakPolarHBondContact O-CB 3.15Å; F184-E187 WeakPolarHBondContact O-CG 3.42Å; F184-E187 PolarHBondContact O-N 2.73Å; E187-R189 VanDerWaalsContact O-CG 3.31Å; E187-R189 WeakPolarHBondContact O-CG 3.44Å; E187-R189 PolarHBondContact O-N 3.31Å
188	Q	57.4	Low	61.6	Low	45 Å²	45	72.2 Å²	72.2	21%	0.21	36%	0.36	C	S	.	.			trans	-64.6	106.8	-177.5	-61.1	-173.7	0.3	0	0	109.5	T186 H205 S206 N207 S213	T186-Q188 PolarHBondContact O-N 2.64Å; Q188-H205 HydrophobicContact CB-CB 4.21Å; Q188-H205 PolarHBondContact O-ND1 2.78Å; Q188-H205 VanDerWaalsContact OE1-CA 3.29Å; Q188-S206 PolarHBondContact NE2-O 2.74Å; Q188-S206 PolarHBondContact OE1-O 2.84Å; Q188-N207 PolarHBondContact NE2-OD1 3.46Å; Q188-S213 CarbonylContact C-O 3.55Å; Q188-S213 WeakPolarHBondContact CA-O 3.49Å
189	R	65.9	Low	64.3	Low	54 Å²	54	74.1 Å²	74.1	20%	0.204	37%	0.373	C	S	.	.			trans	-91	2.2	-168.9	-78.8	-165.4	-69.3	-126.6	-2	114.2	A185 E187 R191 S213 C214 L215 P216	A185-R189 PolarHBondContact O-NH1 3.38Å; E187-R189 VanDerWaalsContact O-CG 3.31Å; E187-R189 WeakPolarHBondContact O-CG 3.44Å; E187-R189 PolarHBondContact O-N 3.31Å; R189-R191 WeakPolarHBondContact O-CG 3.31Å; R189-R191 PolarHBondContact O-N 2.98Å; R189-S213 PolarHBondContact N-O 3.18Å; R189-C214 PolarHBondContact NE-O 2.81Å; R189-C214 PolarHBondContact NH2-O 2.81Å; R189-C214 VanDerWaalsContact NH2-O 3.15Å; R189-L215 CarbonylContact C-O 3.49Å; R189-P216 WeakPolarHBondContact O-CA 3.08Å
190	I	74.6	Confident	67	Low	19 Å²	19	70.9 Å²	70.9	10%	0.097	35%	0.349	C	S	.	.			trans	-61	109.5	-175.6	-51.9	168.8	0	0	0	109.6	V193 P202 Y208 L215 I218 L280	I190-V193 HydrophobicContact CG2-CG2 3.64Å; I190-P202 HydrophobicContact CG2-CG 3.93Å; I190-Y208 HydrophobicContact CD1-CD2 3.75Å; I190-Y208 HydrophobicContact CD1-CE2 4.44Å; I190-Y208 HydrophobicContact CD1-CG 4.27Å; I190-L215 VanDerWaalsContact CA-O 3.24Å; I190-L215 WeakPolarHBondContact CA-O 3.44Å; I190-L215 PolarHBondContact N-O 2.62Å; I190-I218 HydrophobicContact CD1-CD1 3.81Å; I190-I218 HydrophobicContact CD1-CG1 4.49Å; I190-I218 HydrophobicContact CD1-CG2 4.49Å; I190-I218 HydrophobicContact CG1-CG2 4.3Å; I190-I218 HydrophobicContact CG2-CD1 4.23Å; I190-I218 HydrophobicContact CG2-CG1 3.94Å; I190-L280 HydrophobicContact CD1-CD2 4.31Å
191	R	77.9	Confident	69.6	Low	170 Å²	170	70.3 Å²	70.3	64%	0.642	35%	0.347	S	S	*	.			trans	-106.5	-24.1	177.7	-72.4	173.4	-173.8	143.4	2.3	112.4	R189 P202 P216	R189-R191 WeakPolarHBondContact O-CG 3.31Å; R189-R191 PolarHBondContact O-N 2.98Å; R191-P202 VanDerWaalsContact O-CD 3.27Å; R191-P202 WeakPolarHBondContact O-CD 3.32Å; R191-P216 WeakPolarHBondContact CA-O 3.24Å; R191-P216 PolarHBondContact N-O 3.26Å
192	S	86.1	Confident	72.2	Confident	14 Å²	14	67.5 Å²	67.5	10%	0.098	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	139.8	179	169.3	0	0	0	0	110.5	D199 L200 P216 T217 I218	S192-D199 WeakPolarHBondContact CB-OD1 3.49Å; S192-D199 PolarHBondContact OG-OD1 3.02Å; S192-L200 CarbonylContact C-O 3.58Å; S192-L200 WeakPolarHBondContact CA-O 3.35Å; S192-P216 PolarHBondContact N-O 3.37Å; S192-T217 VanDerWaalsContact O-CA 3.28Å; S192-T217 WeakPolarHBondContact O-CA 3.17Å; S192-I218 PolarHBondContact O-N 2.99Å; S192-I218 VanDerWaalsContact O-N 3.09Å
193	V	91.9	Very high	74.6	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.7	171.6	176	0	0	0	0	108.5	I190 F195 L200 P202 I218 I220 L280	I190-V193 HydrophobicContact CG2-CG2 3.64Å; V193-F195 HydrophobicContact CG1-CB 4.49Å; V193-F195 PolarHBondContact O-N 3.32Å; V193-L200 HydrophobicContact CB-CB 4.36Å; V193-L200 PolarHBondContact N-O 2.92Å; V193-L200 PolarHBondContact O-N 2.83Å; V193-P202 HydrophobicContact CG2-CG 3.95Å; V193-I218 WeakPolarHBondContact CA-O 3.41Å; V193-I218 HydrophobicContact CB-CG1 4.4Å; V193-I218 HydrophobicContact CG1-CG1 4.36Å; V193-I218 HydrophobicContact CG2-CD1 4.07Å; V193-I218 HydrophobicContact CG2-CG1 3.68Å; V193-I220 HydrophobicContact CG1-CB 4.33Å; V193-I220 HydrophobicContact CG1-CD1 3.5Å; V193-I220 HydrophobicContact CG1-CG1 3.88Å; V193-L280 HydrophobicContact CG2-CD1 3.64Å
194	I	94	Very high	77.2	Confident	39 Å²	39	66.2 Å²	66.2	20%	0.2	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	116	171.6	-53.9	-53.8	0	0	0	108.1	W198 D199 T217 I218 Y219 I220 Y234	I194-W198 WeakPolarHBondContact CA-O 3.11Å; I194-D199 HydrophobicContact CD1-CB 3.93Å; I194-T217 HydrophobicContact CD1-CG2 4.49Å; I194-T217 HydrophobicContact CG1-CG2 4.02Å; I194-I218 PolarHBondContact N-O 3.4Å; I194-Y219 HydrophobicContact CB-CD1 3.63Å; I194-Y219 HydrophobicContact CB-CE1 4.06Å; I194-Y219 HydrophobicContact CB-CG 4.29Å; I194-Y219 HydrophobicContact CG1-CD1 3.79Å; I194-Y219 HydrophobicContact CG1-CE1 3.69Å; I194-Y219 HydrophobicContact CG2-CD1 3.94Å; I194-Y219 HydrophobicContact CG2-CE1 4.34Å; I194-I220 PolarHBondContact O-N 2.88Å; I194-Y234 HydrophobicContact CG2-CE1 4.39Å
195	F	95.8	Very high	79.4	Confident	8 Å²	8	66 Å²	66	4%	0.035	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	103.5	-177.4	-171.2	-94.7	0	0	0	109.9	V193 T197 W198 L200 I220 E222 L225 L277 L341	V193-F195 HydrophobicContact CG1-CB 4.49Å; V193-F195 PolarHBondContact O-N 3.32Å; F195-T197 PolarHBondContact O-N 2.86Å; F195-W198 PolarHBondContact N-O 2.9Å; F195-W198 WeakPolarHBondContact O-CB 3.35Å; F195-W198 PolarHBondContact O-N 2.95Å; F195-L200 HydrophobicContact CB-CD1 3.79Å; F195-L200 HydrophobicContact CB-CG 4.33Å; F195-L200 HydrophobicContact CG-CD1 4.31Å; F195-I220 HydrophobicContact CD2-CB 3.97Å; F195-I220 HydrophobicContact CD2-CG2 3.76Å; F195-I220 HydrophobicContact CE2-CG2 3.91Å; F195-E222 HydrophobicContact CD1-CB 4.43Å; F195-E222 HydrophobicContact CE1-CB 4.04Å; F195-E222 HydrophobicContact CE2-CB 4.35Å; F195-E222 HydrophobicContact CZ-CB 4Å; F195-L225 HydrophobicContact CE2-CD2 3.68Å; F195-L225 HydrophobicContact CZ-CD2 3.96Å; F195-L277 HydrophobicContact CD2-CD2 4.21Å; F195-L277 HydrophobicContact CE2-CD2 3.69Å; F195-L277 HydrophobicContact CZ-CD2 4.14Å; F195-L341 HydrophobicContact CD1-CD1 4.39Å; F195-L341 HydrophobicContact CE1-CD1 3.85Å; F195-L341 HydrophobicContact CZ-CD1 4.31Å
196	G	92.4	Very high	81.7	Confident	10 Å²	10	64.6 Å²	64.6	10%	0.103	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	-120.9	-170.9	0	0	0	0	0	110.7	W198 E222 Y234	G196-W198 VanDerWaalsContact C-N 3.35Å; G196-E222 WeakPolarHBondContact CA-OE1 3.4Å; G196-Y234 PolarHBondContact N-OH 3.46Å
197	T	91.2	Very high	83.9	Confident	127 Å²	127	63.7 Å²	63.7	78%	0.779	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.5	175.4	60.2	0	0	0	0	114	F195	F195-T197 PolarHBondContact O-N 2.86Å
198	W	95.2	Very high	85.5	Confident	95 Å²	95	59.2 Å²	59.2	36%	0.36	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	141	-173.2	-57.4	103.5	0	0	0	112.1	I194 F195 G196 L200 P343	I194-W198 WeakPolarHBondContact CA-O 3.11Å; F195-W198 PolarHBondContact N-O 2.9Å; F195-W198 WeakPolarHBondContact O-CB 3.35Å; F195-W198 PolarHBondContact O-N 2.95Å; G196-W198 VanDerWaalsContact C-N 3.35Å; W198-L200 HydrophobicContact CB-CD2 3.72Å; W198-L200 HydrophobicContact CB-CG 4.1Å; W198-L200 HydrophobicContact CG-CD2 4.45Å; W198-P343 HydrophobicContact CB-CG 4.37Å; W198-P343 HydrophobicContact CD2-CB 3.88Å; W198-P343 HydrophobicContact CD2-CG 3.66Å; W198-P343 HydrophobicContact CE3-CB 4.15Å; W198-P343 HydrophobicContact CE3-CG 4.05Å; W198-P343 HydrophobicContact CG-CB 4.45Å; W198-P343 HydrophobicContact CG-CG 3.8Å; W198-P343 HydrophobicContact CH2-CB 4.17Å; W198-P343 HydrophobicContact CZ2-CB 3.89Å; W198-P343 HydrophobicContact CZ3-CB 4.29Å
199	D	93.7	Very high	86.5	Confident	101 Å²	101	59.8 Å²	59.8	54%	0.54	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	104.3	162.3	-179.7	-5.2	0	0	0	107.5	S192 I194	S192-D199 WeakPolarHBondContact CB-OD1 3.49Å; S192-D199 PolarHBondContact OG-OD1 3.02Å; I194-D199 HydrophobicContact CD1-CB 3.93Å
200	L	93.3	Very high	86.8	Confident	8 Å²	8	61 Å²	61	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.3	-175.3	-55.1	-179.5	0	0	0	109.9	S192 V193 F195 W198 P202 F281 P343	S192-L200 CarbonylContact C-O 3.58Å; S192-L200 WeakPolarHBondContact CA-O 3.35Å; V193-L200 HydrophobicContact CB-CB 4.36Å; V193-L200 PolarHBondContact N-O 2.92Å; V193-L200 PolarHBondContact O-N 2.83Å; F195-L200 HydrophobicContact CB-CD1 3.79Å; F195-L200 HydrophobicContact CB-CG 4.33Å; F195-L200 HydrophobicContact CG-CD1 4.31Å; W198-L200 HydrophobicContact CB-CD2 3.72Å; W198-L200 HydrophobicContact CB-CG 4.1Å; W198-L200 HydrophobicContact CG-CD2 4.45Å; L200-P202 WeakPolarHBondContact O-CD 3.27Å; L200-F281 HydrophobicContact CB-CE1 4.37Å; L200-F281 HydrophobicContact CB-CZ 3.89Å; L200-F281 HydrophobicContact CD1-CE2 4.35Å; L200-F281 HydrophobicContact CD1-CZ 3.93Å; L200-P343 HydrophobicContact CD2-CG 3.57Å
201	Q	90.4	Very high	86.5	Confident	119 Å²	119	63 Å²	63	56%	0.556	32%	0.317	S	S	*	.			trans	-94.7	112.5	173.6	-65	-176.2	-43.9	0	0	109.2
202	P	88.9	Confident	86.5	Confident	25 Å²	25	55.5 Å²	55.5	16%	0.162	29%	0.289	C	S	.	.			trans	-56.5	148.7	173.9	-27.1	38.6	0	0	0	112.1	I190 R191 V193 L200 L280	I190-P202 HydrophobicContact CG2-CG 3.93Å; R191-P202 VanDerWaalsContact O-CD 3.27Å; R191-P202 WeakPolarHBondContact O-CD 3.32Å; V193-P202 HydrophobicContact CG2-CG 3.95Å; L200-P202 WeakPolarHBondContact O-CD 3.27Å; P202-L280 HydrophobicContact CB-CB 4.04Å; P202-L280 HydrophobicContact CB-CD2 3.97Å; P202-L280 HydrophobicContact CG-CB 4.39Å; P202-L280 HydrophobicContact CG-CD1 4.45Å; P202-L280 HydrophobicContact CG-CD2 4.03Å
203	W	86.9	Confident	85.9	Confident	120 Å²	120	55.4 Å²	55.4	46%	0.455	29%	0.288	S	S	.	.	S	Bend	trans	-99.7	-24.3	171.8	-57.1	-19	0	0	0	111.8	L280 F281 P342	W203-L280 PolarHBondContact N-O 3.34Å; W203-F281 HydrophobicContact CD2-CD1 4.35Å; W203-F281 HydrophobicContact CE3-CB 4.25Å; W203-P342 HydrophobicContact CZ2-CG 4.47Å
204	Y	86.7	Confident	84.7	Confident	86 Å²	86	56.5 Å²	56.5	34%	0.337	30%	0.296	S	S	.	.	S	Bend	trans	-140.2	167.7	-175.4	-51	-73.8	0	0	0	111.3	L280 K283	Y204-L280 PolarHBondContact N-O 3.37Å; Y204-K283 HydrophobicContact CD1-CB 4.24Å; Y204-K283 HydrophobicContact CD1-CG 4.26Å; Y204-K283 HydrophobicContact CE1-CB 3.65Å; Y204-K283 HydrophobicContact CE1-CD 4.34Å; Y204-K283 HydrophobicContact CE1-CG 3.67Å; Y204-K283 HydrophobicContact CE2-CB 3.96Å; Y204-K283 VanDerWaalsContact CZ-CB 3.49Å
205	H	82.9	Confident	83.5	Confident	126 Å²	126	54.8 Å²	54.8	58%	0.583	29%	0.287	S	S	*	.			trans	-79.3	140.4	176.7	-57.4	-65.9	0	0	0	110.4	Q188 K279	Q188-H205 HydrophobicContact CB-CB 4.21Å; Q188-H205 PolarHBondContact O-ND1 2.78Å; Q188-H205 VanDerWaalsContact OE1-CA 3.29Å; H205-K279 VanDerWaalsContact O-CG 3.31Å; H205-K279 WeakPolarHBondContact O-CG 3.48Å
206	S	85.7	Confident	82.5	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.007	29%	0.291	C	S	.	.			trans	-131.7	142.3	173.8	-177.3	0	0	0	0	112.6	Q188 Y208 L276	Q188-S206 PolarHBondContact NE2-O 2.74Å; Q188-S206 PolarHBondContact OE1-O 2.84Å; S206-Y208 PolarHBondContact O-N 3.39Å; S206-L276 VanDerWaalsContact CB-O 3.31Å; S206-L276 WeakPolarHBondContact CB-O 3.24Å; S206-L276 WeakPolarHBondContact OG-CA 3.44Å; S206-L276 PolarHBondContact OG-O 2.87Å
207	N	82.6	Confident	82	Confident	67 Å²	67	55.9 Å²	55.9	36%	0.358	29%	0.293	S	S	.	.			trans	-77.6	51.6	-173.1	-64.3	-10.1	0	0	0	113.4	Q188 L276 V287 L290	Q188-N207 PolarHBondContact NE2-OD1 3.46Å; N207-L276 VanDerWaalsContact C-CD2 3.45Å; N207-L276 HydrophobicContact CB-CD2 4.41Å; N207-L276 WeakPolarHBondContact O-CD2 3.49Å; N207-V287 VanDerWaalsContact ND2-CG2 3.3Å; N207-V287 WeakPolarHBondContact ND2-CG2 3.19Å; N207-L290 HydrophobicContact CB-CD1 4.28Å
208	Y	82.6	Confident	81.8	Confident	10 Å²	10	49.9 Å²	49.9	4%	0.039	26%	0.256	C	S	.	.			trans	-59.9	152.8	166.5	-79.5	-86.5	0	0	0	110.2	I190 S206 L212 I218 I220 L276 L277 L280	I190-Y208 HydrophobicContact CD1-CD2 3.75Å; I190-Y208 HydrophobicContact CD1-CE2 4.44Å; I190-Y208 HydrophobicContact CD1-CG 4.27Å; S206-Y208 PolarHBondContact O-N 3.39Å; Y208-L212 HydrophobicContact CD1-CD1 3.96Å; Y208-I218 HydrophobicContact CD1-CD1 4.31Å; Y208-I218 HydrophobicContact CD2-CD1 4.23Å; Y208-I218 HydrophobicContact CE1-CD1 4.16Å; Y208-I218 HydrophobicContact CE2-CD1 4.07Å; Y208-I218 HydrophobicContact CG-CD1 4.35Å; Y208-I220 HydrophobicContact CE1-CD1 4.29Å; Y208-I220 WeakPolarHBondContact OH-CD1 3.32Å; Y208-L276 HydrophobicContact CD1-CB 4.37Å; Y208-L276 HydrophobicContact CD1-CD1 4.02Å; Y208-L276 HydrophobicContact CD2-CB 4.34Å; Y208-L276 HydrophobicContact CE1-CB 3.86Å; Y208-L276 HydrophobicContact CE1-CD1 4.06Å; Y208-L276 HydrophobicContact CE2-CB 3.82Å; Y208-L277 VanDerWaalsContact OH-CA 3.31Å; Y208-L277 WeakPolarHBondContact OH-CA 3.25Å; Y208-L277 PolarHBondContact OH-N 3.32Å; Y208-L277 VanDerWaalsContact OH-N 3.13Å; Y208-L280 HydrophobicContact CE2-CD1 3.87Å; Y208-L280 HydrophobicContact CE2-CD2 4.33Å; Y208-L280 HydrophobicContact CE2-CG 4.12Å
209	P	77.5	Confident	81.7	Confident	57 Å²	57	47.4 Å²	47.4	37%	0.37	25%	0.247	S	C	.	.			trans	-45.9	145.6	170.4	-30.8	37.4	0	0	0	112.4	D211 L212 S213	P209-D211 WeakPolarHBondContact CB-OD1 3.43Å; P209-D211 PolarHBondContact O-N 2.78Å; P209-L212 WeakPolarHBondContact O-CA 2.97Å; P209-L212 PolarHBondContact O-N 2.98Å; P209-S213 PolarHBondContact O-N 2.95Å; P209-S213 PolarHBondContact O-OG 3.33Å
210	A	72.3	Confident	81.8	Confident	78 Å²	78	42.6 Å²	42.6	65%	0.645	22%	0.221	S	C	*	.	H	α-helix	trans	-54.1	-32.2	-171.7	0	0	0	0	0	113.9	L212 S213 C214	A210-L212 VanDerWaalsContact C-N 3.28Å; A210-L212 PolarHBondContact O-N 3.42Å; A210-S213 WeakPolarHBondContact CA-OG 3.45Å; A210-S213 PolarHBondContact O-OG 2.85Å; A210-C214 WeakPolarHBondContact O-CB 3.44Å; A210-C214 PolarHBondContact O-N 3.27Å; A210-C214 PolarHBondContact O-SG 2.65Å
211	D	68.4	Low	82	Confident	63 Å²	63	42.4 Å²	42.4	34%	0.337	22%	0.22	S	C	.	.	H	α-helix	trans	-71	-20.9	177.4	63.9	-61.7	0	0	0	113.9	P209 L215 R229	P209-D211 WeakPolarHBondContact CB-OD1 3.43Å; P209-D211 PolarHBondContact O-N 2.78Å; D211-L215 WeakPolarHBondContact O-CD1 3.35Å; D211-L215 WeakPolarHBondContact O-CG 3.34Å; D211-R229 IonicContact OD2-CZ 3.77Å; D211-R229 IonicContact OD2-NE 3.75Å; D211-R229 PolarHBondContact OD2-NE 3.17Å; D211-R229 IonicContact OD2-NH2 3.78Å; D211-R229 PolarHBondContact OD2-NH2 3.46Å
212	L	77.3	Confident	82.3	Confident	11 Å²	11	37.8 Å²	37.8	6%	0.058	20%	0.199	C	C	.	.	H	α-helix	trans	-98.6	-43	173.1	-68.7	177.5	0	0	0	112	Y208 P209 A210 C214 L215 I218 R229	Y208-L212 HydrophobicContact CD1-CD1 3.96Å; P209-L212 WeakPolarHBondContact O-CA 2.97Å; P209-L212 PolarHBondContact O-N 2.98Å; A210-L212 VanDerWaalsContact C-N 3.28Å; A210-L212 PolarHBondContact O-N 3.42Å; L212-C214 PolarHBondContact O-N 2.76Å; L212-L215 HydrophobicContact CD2-CD1 4.11Å; L212-L215 VanDerWaalsContact O-CB 3.27Å; L212-L215 WeakPolarHBondContact O-CB 3.47Å; L212-L215 WeakPolarHBondContact O-CG 3.26Å; L212-L215 PolarHBondContact O-N 2.91Å; L212-I218 HydrophobicContact CB-CG2 4.28Å; L212-I218 HydrophobicContact CD2-CG2 4.24Å; L212-I218 WeakPolarHBondContact O-CG2 3.33Å; L212-R229 HydrophobicContact CD2-CB 4.41Å; L212-R229 HydrophobicContact CD2-CG 3.69Å
213	S	73.7	Confident	82.7	Confident	13 Å²	13	37.9 Å²	37.9	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-25.9	-175.4	65.9	0	0	0	0	113.4	Q188 R189 P209 A210 L215	Q188-S213 CarbonylContact C-O 3.55Å; Q188-S213 WeakPolarHBondContact CA-O 3.49Å; R189-S213 PolarHBondContact N-O 3.18Å; P209-S213 PolarHBondContact O-N 2.95Å; P209-S213 PolarHBondContact O-OG 3.33Å; A210-S213 WeakPolarHBondContact CA-OG 3.45Å; A210-S213 PolarHBondContact O-OG 2.85Å; S213-L215 VanDerWaalsContact C-N 3.27Å; S213-L215 PolarHBondContact O-N 2.95Å
214	C	67.4	Low	83.1	Confident	22 Å²	22	32.8 Å²	32.8	15%	0.149	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-5.6	175.8	72.7	0	0	0	0	114.1	R189 A210 L212	R189-C214 PolarHBondContact NE-O 2.81Å; R189-C214 PolarHBondContact NH2-O 2.81Å; R189-C214 VanDerWaalsContact NH2-O 3.15Å; A210-C214 WeakPolarHBondContact O-CB 3.44Å; A210-C214 PolarHBondContact O-N 3.27Å; A210-C214 PolarHBondContact O-SG 2.65Å; L212-C214 PolarHBondContact O-N 2.76Å
215	L	69.1	Low	83.7	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.016	16%	0.163	C	C	.	.			trans	-90	140.1	-176.8	-54.2	-177	0	0	0	111.4	R157 R189 I190 D211 L212 S213 T217 I218 R229	R157-L215 VanDerWaalsContact CD-CD2 3.43Å; R189-L215 CarbonylContact C-O 3.49Å; I190-L215 VanDerWaalsContact CA-O 3.24Å; I190-L215 WeakPolarHBondContact CA-O 3.44Å; I190-L215 PolarHBondContact N-O 2.62Å; D211-L215 WeakPolarHBondContact O-CD1 3.35Å; D211-L215 WeakPolarHBondContact O-CG 3.34Å; L212-L215 HydrophobicContact CD2-CD1 4.11Å; L212-L215 VanDerWaalsContact O-CB 3.27Å; L212-L215 WeakPolarHBondContact O-CB 3.47Å; L212-L215 WeakPolarHBondContact O-CG 3.26Å; L212-L215 PolarHBondContact O-N 2.91Å; S213-L215 VanDerWaalsContact C-N 3.27Å; S213-L215 PolarHBondContact O-N 2.95Å; L215-T217 VanDerWaalsContact C-N 3.32Å; L215-I218 HydrophobicContact CB-CG2 3.87Å; L215-I218 HydrophobicContact CD1-CG2 4.08Å; L215-I218 HydrophobicContact CG-CG2 4.43Å; L215-R229 HydrophobicContact CD1-CB 3.76Å; L215-R229 HydrophobicContact CD1-CG 3.98Å
216	P	74.7	Confident	84.3	Confident	18 Å²	18	24 Å²	24	12%	0.117	14%	0.144	C	C	.	.	S	Bend	trans	-69.7	-32.9	172.6	29.1	-33.7	0	0	0	112.3	R189 R191 S192	R189-P216 WeakPolarHBondContact O-CA 3.08Å; R191-P216 WeakPolarHBondContact CA-O 3.24Å; R191-P216 PolarHBondContact N-O 3.26Å; S192-P216 PolarHBondContact N-O 3.37Å
217	T	81.8	Confident	84.5	Confident	24 Å²	24	25.1 Å²	25.1	15%	0.147	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125.3	-178.4	-55.6	0	0	0	0	109	S192 I194 L215 Y219	S192-T217 VanDerWaalsContact O-CA 3.28Å; S192-T217 WeakPolarHBondContact O-CA 3.17Å; I194-T217 HydrophobicContact CD1-CG2 4.49Å; I194-T217 HydrophobicContact CG1-CG2 4.02Å; L215-T217 VanDerWaalsContact C-N 3.32Å; T217-Y219 HydrophobicContact CG2-CE2 4.28Å
218	I	86.1	Confident	84.9	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	155.8	171.5	64.8	168.5	0	0	0	110	I190 S192 V193 I194 Y208 L212 L215 I220	I190-I218 HydrophobicContact CD1-CD1 3.81Å; I190-I218 HydrophobicContact CD1-CG1 4.49Å; I190-I218 HydrophobicContact CD1-CG2 4.49Å; I190-I218 HydrophobicContact CG1-CG2 4.3Å; I190-I218 HydrophobicContact CG2-CD1 4.23Å; I190-I218 HydrophobicContact CG2-CG1 3.94Å; S192-I218 PolarHBondContact O-N 2.99Å; S192-I218 VanDerWaalsContact O-N 3.09Å; V193-I218 WeakPolarHBondContact CA-O 3.41Å; V193-I218 HydrophobicContact CB-CG1 4.4Å; V193-I218 HydrophobicContact CG1-CG1 4.36Å; V193-I218 HydrophobicContact CG2-CD1 4.07Å; V193-I218 HydrophobicContact CG2-CG1 3.68Å; I194-I218 PolarHBondContact N-O 3.4Å; Y208-I218 HydrophobicContact CD1-CD1 4.31Å; Y208-I218 HydrophobicContact CD2-CD1 4.23Å; Y208-I218 HydrophobicContact CE1-CD1 4.16Å; Y208-I218 HydrophobicContact CE2-CD1 4.07Å; Y208-I218 HydrophobicContact CG-CD1 4.35Å; L212-I218 HydrophobicContact CB-CG2 4.28Å; L212-I218 HydrophobicContact CD2-CG2 4.24Å; L212-I218 WeakPolarHBondContact O-CG2 3.33Å; L215-I218 HydrophobicContact CB-CG2 3.87Å; L215-I218 HydrophobicContact CD1-CG2 4.08Å; L215-I218 HydrophobicContact CG-CG2 4.43Å; I218-I220 HydrophobicContact CD1-CD1 3.95Å; I218-I220 HydrophobicContact CD1-CG1 4.19Å; I218-I220 HydrophobicContact CG1-CG1 4.46Å
219	Y	93.7	Very high	84.8	Confident	43 Å²	43	28.5 Å²	28.5	17%	0.169	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.9	-179.7	-59	-101.9	0	0	0	108.2	I194 T217 G227 M228 Y234	I194-Y219 HydrophobicContact CB-CD1 3.63Å; I194-Y219 HydrophobicContact CB-CE1 4.06Å; I194-Y219 HydrophobicContact CB-CG 4.29Å; I194-Y219 HydrophobicContact CG1-CD1 3.79Å; I194-Y219 HydrophobicContact CG1-CE1 3.69Å; I194-Y219 HydrophobicContact CG2-CD1 3.94Å; I194-Y219 HydrophobicContact CG2-CE1 4.34Å; T217-Y219 HydrophobicContact CG2-CE2 4.28Å; Y219-G227 CarbonylContact O-C 3.48Å; Y219-G227 WeakPolarHBondContact O-CA 3.48Å; Y219-M228 PolarHBondContact N-O 3.37Å; Y219-M228 PolarHBondContact O-N 2.85Å; Y219-Y234 AromaticContact CD1-CD1 3.88Å; Y219-Y234 HydrophobicContact CD1-CD1 3.88Å; Y219-Y234 AromaticContact CD1-CG 3.97Å; Y219-Y234 HydrophobicContact CD1-CG 3.97Å; Y219-Y234 HydrophobicContact CG-CG 4.14Å
220	I	96.9	Very high	84.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.9	-178	-61.9	-179.4	0	0	0	108.5	V193 I194 F195 Y208 I218 E222 S226 Y234 L277	V193-I220 HydrophobicContact CG1-CB 4.33Å; V193-I220 HydrophobicContact CG1-CD1 3.5Å; V193-I220 HydrophobicContact CG1-CG1 3.88Å; I194-I220 PolarHBondContact O-N 2.88Å; F195-I220 HydrophobicContact CD2-CB 3.97Å; F195-I220 HydrophobicContact CD2-CG2 3.76Å; F195-I220 HydrophobicContact CE2-CG2 3.91Å; Y208-I220 HydrophobicContact CE1-CD1 4.29Å; Y208-I220 WeakPolarHBondContact OH-CD1 3.32Å; I218-I220 HydrophobicContact CD1-CD1 3.95Å; I218-I220 HydrophobicContact CD1-CG1 4.19Å; I218-I220 HydrophobicContact CG1-CG1 4.46Å; I220-E222 PolarHBondContact O-N 3.44Å; I220-S226 WeakPolarHBondContact CA-O 3.45Å; I220-Y234 WeakPolarHBondContact O-CE2 3.45Å; I220-L277 HydrophobicContact CD1-CD1 3.99Å
221	C	97.1	Very high	85.5	Confident	4 Å²	4	28.1 Å²	28.1	3%	0.027	15%	0.148	C	C	.	.			trans	-62.4	128	172.3	-176.5	0	0	0	0	109.8	F223 C224 L225 S226 M228 H237	C221-F223 PolarHBondContact O-N 3.23Å; C221-C224 WeakPolarHBondContact CB-SG 3.1Å; C221-C224 VanDerWaalsContact SG-SG 3.67Å; C221-L225 WeakPolarHBondContact O-CA 3.12Å; C221-L225 PolarHBondContact O-N 2.83Å; C221-S226 PolarHBondContact N-O 2.8Å; C221-S226 VanDerWaalsContact N-O 3.11Å; C221-M228 HydrophobicContact CB-CE 3.92Å; C221-H237 WeakPolarHBondContact CB-NE2 3.28Å; C221-H237 PolarHBondContact SG-NE2 3.35Å; C221-H237 VanDerWaalsContact SG-NE2 3.37Å
222	E	95.8	Very high	86.2	Confident	23 Å²	23	29.8 Å²	29.8	11%	0.107	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.3	-177.5	66.6	-167.2	117.5	0	0	113.4	F195 G196 I220 K238 H310	F195-E222 HydrophobicContact CD1-CB 4.43Å; F195-E222 HydrophobicContact CE1-CB 4.04Å; F195-E222 HydrophobicContact CE2-CB 4.35Å; F195-E222 HydrophobicContact CZ-CB 4Å; G196-E222 WeakPolarHBondContact CA-OE1 3.4Å; I220-E222 PolarHBondContact O-N 3.44Å; E222-K238 IonicContact OE1-NZ 3.33Å; E222-H310 IonicContact OE2-CE1 2.9Å; E222-H310 PolarHBondContact OE2-CE1 2.92Å; E222-H310 IonicContact OE2-ND1 2.63Å; E222-H310 PolarHBondContact OE2-ND1 3.46Å
223	F	97.4	Very high	86.6	Confident	26 Å²	26	31.5 Å²	31.5	11%	0.114	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-62.1	-179.8	-54.6	-64.1	0	0	0	111.8	C221 R243 T244 Y270 H310	C221-F223 PolarHBondContact O-N 3.23Å; F223-R243 HydrophobicContact CB-CB 4.01Å; F223-R243 WeakPolarHBondContact CB-O 3.49Å; F223-R243 VanDerWaalsContact CD2-O 3.26Å; F223-R243 WeakPolarHBondContact CD2-O 3.2Å; F223-R243 WeakPolarHBondContact CG-O 3.31Å; F223-T244 VanDerWaalsContact CD1-C 3.42Å; F223-T244 VanDerWaalsContact CD1-O 3.3Å; F223-T244 WeakPolarHBondContact CD1-O 3.4Å; F223-T244 VanDerWaalsContact CE1-O 3.32Å; F223-T244 WeakPolarHBondContact CE1-O 3.26Å; F223-Y270 WeakPolarHBondContact O-CE2 3.3Å; F223-H310 AromaticContact CZ-CE1 3.89Å
224	C	96.5	Very high	87.4	Confident	13 Å²	13	31.3 Å²	31.3	9%	0.088	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-8.5	-175.7	80.5	0	0	0	0	114.8	C221 S226 H237	C221-C224 WeakPolarHBondContact CB-SG 3.1Å; C221-C224 VanDerWaalsContact SG-SG 3.67Å; C224-S226 PolarHBondContact O-N 3.29Å; C224-S226 VanDerWaalsContact O-N 3.13Å; C224-S226 VanDerWaalsContact SG-CB 3.6Å; C224-S226 PolarHBondContact SG-OG 2.77Å; C224-H237 PolarHBondContact SG-CE1 2.9Å; C224-H237 PolarHBondContact SG-NE2 2.88Å
225	L	97.4	Very high	88.5	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.			trans	64.9	7.8	179	-49.7	180	0	0	0	115.8	F195 C221 G227 Y270 N273 L274 L277 I311	F195-L225 HydrophobicContact CE2-CD2 3.68Å; F195-L225 HydrophobicContact CZ-CD2 3.96Å; C221-L225 WeakPolarHBondContact O-CA 3.12Å; C221-L225 PolarHBondContact O-N 2.83Å; L225-G227 PolarHBondContact O-N 3.14Å; L225-Y270 HydrophobicContact CD1-CD1 4.3Å; L225-Y270 HydrophobicContact CD1-CD2 4.38Å; L225-Y270 HydrophobicContact CD1-CE1 3.78Å; L225-Y270 HydrophobicContact CD1-CE2 3.93Å; L225-Y270 HydrophobicContact CG-CE2 4.02Å; L225-N273 HydrophobicContact CB-CB 3.64Å; L225-N273 WeakPolarHBondContact O-CB 3.31Å; L225-L274 HydrophobicContact CD1-CB 3.65Å; L225-L274 HydrophobicContact CD1-CD1 3.91Å; L225-L274 HydrophobicContact CD1-CG 4.34Å; L225-L277 HydrophobicContact CD2-CD2 4.21Å; L225-I311 HydrophobicContact CD1-CD1 4.01Å; L225-I311 HydrophobicContact CD2-CD1 3.76Å; L225-I311 HydrophobicContact CG-CD1 4.32Å
226	S	95.5	Very high	89.6	Confident	27 Å²	27	42 Å²	42	19%	0.189	22%	0.216	C	C	.	.			trans	-66.2	133	176.1	-54.1	0	0	0	0	110.9	I220 C221 C224 M228	I220-S226 WeakPolarHBondContact CA-O 3.45Å; C221-S226 PolarHBondContact N-O 2.8Å; C221-S226 VanDerWaalsContact N-O 3.11Å; C224-S226 PolarHBondContact O-N 3.29Å; C224-S226 VanDerWaalsContact O-N 3.13Å; C224-S226 VanDerWaalsContact SG-CB 3.6Å; C224-S226 PolarHBondContact SG-OG 2.77Å; S226-M228 WeakPolarHBondContact O-CE 3.46Å
227	G	91.8	Very high	90.5	Very high	25 Å²	25	43.5 Å²	43.5	26%	0.258	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	143.8	176.9	0	0	0	0	0	112.8	Y219 L225	Y219-G227 CarbonylContact O-C 3.48Å; Y219-G227 WeakPolarHBondContact O-CA 3.48Å; L225-G227 PolarHBondContact O-N 3.14Å
228	M	89.4	Confident	91	Very high	20 Å²	20	47.1 Å²	47.1	10%	0.099	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	149	-175.6	-70.1	164.1	-117.7	0	0	110.8	Y219 C221 S226 Y234 H237	Y219-M228 PolarHBondContact N-O 3.37Å; Y219-M228 PolarHBondContact O-N 2.85Å; C221-M228 HydrophobicContact CB-CE 3.92Å; S226-M228 WeakPolarHBondContact O-CE 3.46Å; M228-Y234 HydrophobicContact CE-CD2 4.22Å; M228-Y234 WeakPolarHBondContact SD-CA 3.16Å; M228-Y234 HydrophobicContact SD-CD2 4.11Å; M228-H237 HydrophobicContact CE-CB 3.7Å; M228-H237 VanDerWaalsContact CE-CD2 3.41Å; M228-H237 WeakPolarHBondContact CE-CD2 3.09Å; M228-H237 HydrophobicContact SD-CB 3.45Å; M228-H237 WeakPolarHBondContact SD-CB 3.31Å
229	R	81.9	Confident	91.3	Very high	129 Å²	129	53.8 Å²	53.8	49%	0.487	27%	0.27	S	S	.	.	S	Bend	trans	-79.8	-34.2	-172	-57.8	175.6	-169.1	148	3	113.8	D211 L212 L215	D211-R229 IonicContact OD2-CZ 3.77Å; D211-R229 IonicContact OD2-NE 3.75Å; D211-R229 PolarHBondContact OD2-NE 3.17Å; D211-R229 IonicContact OD2-NH2 3.78Å; D211-R229 PolarHBondContact OD2-NH2 3.46Å; L212-R229 HydrophobicContact CD2-CB 4.41Å; L212-R229 HydrophobicContact CD2-CG 3.69Å; L215-R229 HydrophobicContact CD1-CB 3.76Å; L215-R229 HydrophobicContact CD1-CG 3.98Å
230	H	79.8	Confident	91.3	Very high	79 Å²	79	56.8 Å²	56.8	37%	0.366	29%	0.288	S	S	.	.	S	Bend	trans	-142.4	153.7	-167.4	-53.3	-61.3	0	0	0	112	V232 A233 Y234	H230-V232 VanDerWaalsContact C-N 3.27Å; H230-V232 PolarHBondContact O-N 3.22Å; H230-A233 PolarHBondContact O-N 2.79Å; H230-Y234 PolarHBondContact O-N 2.87Å
231	T	83.3	Confident	91.2	Very high	47 Å²	47	58.1 Å²	58.1	29%	0.288	30%	0.297	S	S	.	.	H	α-helix	trans	-56.4	-36.8	-179.8	-173.7	0	0	0	0	113.4	Y234 N235	T231-Y234 WeakPolarHBondContact O-CB 3.01Å; T231-Y234 PolarHBondContact O-N 2.81Å; T231-N235 WeakPolarHBondContact O-CB 3.21Å; T231-N235 PolarHBondContact O-N 2.99Å; T231-N235 PolarHBondContact O-ND2 3.02Å; T231-N235 PolarHBondContact OG1-ND2 2.84Å
232	V	84.7	Confident	91.1	Very high	98 Å²	98	65.6 Å²	65.6	59%	0.594	34%	0.337	S	S	*	.	H	α-helix	trans	-65.3	-44.3	-179.8	179.5	0	0	0	0	111.4	H230 Y234 N235 R236	H230-V232 VanDerWaalsContact C-N 3.27Å; H230-V232 PolarHBondContact O-N 3.22Å; V232-Y234 VanDerWaalsContact C-N 3.32Å; V232-N235 PolarHBondContact O-N 2.95Å; V232-R236 WeakPolarHBondContact O-CB 3.03Å; V232-R236 PolarHBondContact O-N 2.88Å
233	A	84.2	Confident	91.1	Very high	48 Å²	48	69.5 Å²	69.5	40%	0.397	35%	0.351	S	S	.	.	H	α-helix	trans	-64.4	-41.1	175.9	0	0	0	0	0	110.8	H230 R236 H237	H230-A233 PolarHBondContact O-N 2.79Å; A233-R236 PolarHBondContact O-N 3.45Å; A233-H237 WeakPolarHBondContact O-CB 3.49Å; A233-H237 PolarHBondContact O-N 3.24Å
234	Y	91.3	Very high	91	Very high	9 Å²	9	71.1 Å²	71.1	4%	0.035	36%	0.363	C	S	.	.	H	α-helix	trans	-60.3	-50	175.2	-178.8	-114	0	0	0	113.2	I194 G196 Y219 I220 M228 H230 T231 V232 R236 H237 K238	I194-Y234 HydrophobicContact CG2-CE1 4.39Å; G196-Y234 PolarHBondContact N-OH 3.46Å; Y219-Y234 AromaticContact CD1-CD1 3.88Å; Y219-Y234 HydrophobicContact CD1-CD1 3.88Å; Y219-Y234 AromaticContact CD1-CG 3.97Å; Y219-Y234 HydrophobicContact CD1-CG 3.97Å; Y219-Y234 HydrophobicContact CG-CG 4.14Å; I220-Y234 WeakPolarHBondContact O-CE2 3.45Å; M228-Y234 HydrophobicContact CE-CD2 4.22Å; M228-Y234 WeakPolarHBondContact SD-CA 3.16Å; M228-Y234 HydrophobicContact SD-CD2 4.11Å; H230-Y234 PolarHBondContact O-N 2.87Å; T231-Y234 WeakPolarHBondContact O-CB 3.01Å; T231-Y234 PolarHBondContact O-N 2.81Å; V232-Y234 VanDerWaalsContact C-N 3.32Å; Y234-R236 VanDerWaalsContact C-N 3.34Å; Y234-R236 PolarHBondContact O-N 2.88Å; Y234-H237 WeakPolarHBondContact O-CB 3.36Å; Y234-H237 PolarHBondContact O-N 3.39Å; Y234-K238 HydrophobicContact CD1-CD 4.24Å; Y234-K238 HydrophobicContact CE1-CD 3.61Å; Y234-K238 HydrophobicContact CE1-CG 4.22Å; Y234-K238 HydrophobicContact CE2-CD 4.37Å; Y234-K238 HydrophobicContact CE2-CG 4.22Å; Y234-K238 WeakPolarHBondContact O-CG 3.44Å; Y234-K238 PolarHBondContact O-N 3.42Å
235	N	90.3	Very high	91	Very high	78 Å²	78	75.5 Å²	75.5	42%	0.417	38%	0.381	S	S	.	.	H	α-helix	trans	-64.8	-39.6	179.7	-66.2	-26.4	0	0	0	111.6	T231 V232 H237 K238 I239	T231-N235 WeakPolarHBondContact O-CB 3.21Å; T231-N235 PolarHBondContact O-N 2.99Å; T231-N235 PolarHBondContact O-ND2 3.02Å; T231-N235 PolarHBondContact OG1-ND2 2.84Å; V232-N235 PolarHBondContact O-N 2.95Å; N235-H237 VanDerWaalsContact C-N 3.34Å; N235-K238 PolarHBondContact O-N 3.03Å; N235-I239 WeakPolarHBondContact O-CG1 3.23Å; N235-I239 PolarHBondContact O-N 3.25Å
236	R	91.5	Very high	91.1	Very high	171 Å²	171	75.6 Å²	75.6	65%	0.645	38%	0.381	S	S	*	.	H	α-helix	trans	-62.5	-43.3	173.6	-174.4	-176.5	-67.7	177.4	-2.3	111.2	V232 A233 Y234 I239 N240	V232-R236 WeakPolarHBondContact O-CB 3.03Å; V232-R236 PolarHBondContact O-N 2.88Å; A233-R236 PolarHBondContact O-N 3.45Å; Y234-R236 VanDerWaalsContact C-N 3.34Å; Y234-R236 PolarHBondContact O-N 2.88Å; R236-I239 PolarHBondContact O-N 2.96Å; R236-N240 PolarHBondContact O-N 3.13Å
237	H	94.2	Very high	91.2	Very high	49 Å²	49	74.6 Å²	74.6	23%	0.227	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-43.1	176.9	179.7	94.1	0	0	0	111.8	C221 C224 M228 A233 Y234 N235 I239 N240 C241	C221-H237 WeakPolarHBondContact CB-NE2 3.28Å; C221-H237 PolarHBondContact SG-NE2 3.35Å; C221-H237 VanDerWaalsContact SG-NE2 3.37Å; C224-H237 PolarHBondContact SG-CE1 2.9Å; C224-H237 PolarHBondContact SG-NE2 2.88Å; M228-H237 HydrophobicContact CE-CB 3.7Å; M228-H237 VanDerWaalsContact CE-CD2 3.41Å; M228-H237 WeakPolarHBondContact CE-CD2 3.09Å; M228-H237 HydrophobicContact SD-CB 3.45Å; M228-H237 WeakPolarHBondContact SD-CB 3.31Å; A233-H237 WeakPolarHBondContact O-CB 3.49Å; A233-H237 PolarHBondContact O-N 3.24Å; Y234-H237 WeakPolarHBondContact O-CB 3.36Å; Y234-H237 PolarHBondContact O-N 3.39Å; N235-H237 VanDerWaalsContact C-N 3.34Å; H237-I239 PolarHBondContact O-N 3.24Å; H237-I239 VanDerWaalsContact O-N 3.16Å; H237-N240 CarbonylContact O-C 3.42Å; H237-N240 PolarHBondContact O-N 3.45Å; H237-C241 PolarHBondContact NE2-SG 2.98Å; H237-C241 VanDerWaalsContact NE2-SG 3.4Å; H237-C241 VanDerWaalsContact O-CB 3.27Å; H237-C241 WeakPolarHBondContact O-CB 3.48Å; H237-C241 PolarHBondContact O-N 3.48Å
238	K	92.1	Very high	91.4	Very high	100 Å²	100	75 Å²	75	44%	0.435	38%	0.378	S	S	.	.	H	α-helix	trans	-55.6	-33.3	177.8	-77.2	-166.8	64.8	155.7	0	113.3	E222 Y234 N235	E222-K238 IonicContact OE1-NZ 3.33Å; Y234-K238 HydrophobicContact CD1-CD 4.24Å; Y234-K238 HydrophobicContact CE1-CD 3.61Å; Y234-K238 HydrophobicContact CE1-CG 4.22Å; Y234-K238 HydrophobicContact CE2-CD 4.37Å; Y234-K238 HydrophobicContact CE2-CG 4.22Å; Y234-K238 WeakPolarHBondContact O-CG 3.44Å; Y234-K238 PolarHBondContact O-N 3.42Å; N235-K238 PolarHBondContact O-N 3.03Å
239	I	92.1	Very high	91.8	Very high	141 Å²	141	79 Å²	79	72%	0.723	40%	0.401	S	S	*	.	H	α-helix	trans	-77	-33.2	178.8	-63	164.4	0	0	0	111.3	N235 R236 H237	N235-I239 WeakPolarHBondContact O-CG1 3.23Å; N235-I239 PolarHBondContact O-N 3.25Å; R236-I239 PolarHBondContact O-N 2.96Å; H237-I239 PolarHBondContact O-N 3.24Å; H237-I239 VanDerWaalsContact O-N 3.16Å
240	N	94.2	Very high	92.5	Very high	105 Å²	105	77.3 Å²	77.3	56%	0.561	40%	0.398	S	S	*	.	H	α-helix	trans	-103	-0.9	-172.1	-63.2	-9.5	0	0	0	113.7	R236 H237 D242	R236-N240 PolarHBondContact O-N 3.13Å; H237-N240 CarbonylContact O-C 3.42Å; H237-N240 PolarHBondContact O-N 3.45Å; N240-D242 PolarHBondContact O-N 3.38Å
241	C	95.1	Very high	93.4	Very high	28 Å²	28	73.7 Å²	73.7	19%	0.189	38%	0.381	C	S	.	.			trans	-81.5	116	-177.9	-169.5	0	0	0	0	109.3	H237 R243	H237-C241 PolarHBondContact NE2-SG 2.98Å; H237-C241 VanDerWaalsContact NE2-SG 3.4Å; H237-C241 VanDerWaalsContact O-CB 3.27Å; H237-C241 WeakPolarHBondContact O-CB 3.48Å; H237-C241 PolarHBondContact O-N 3.48Å; C241-R243 PolarHBondContact O-N 3.1Å
242	D	93.8	Very high	94.1	Very high	162 Å²	162	71.6 Å²	71.6	87%	0.866	37%	0.368	S	S	*	.			trans	-79.7	0.9	179.9	-56	-40.9	0	0	0	113.5	N240	N240-D242 PolarHBondContact O-N 3.38Å
243	R	95.6	Very high	94.7	Very high	104 Å²	104	71.3 Å²	71.3	39%	0.392	36%	0.356	S	S	.	.			trans	-96.7	130.8	-179.6	-67.5	-169.7	-178.4	-82.5	-2	111.2	F223 C241	F223-R243 HydrophobicContact CB-CB 4.01Å; F223-R243 WeakPolarHBondContact CB-O 3.49Å; F223-R243 VanDerWaalsContact CD2-O 3.26Å; F223-R243 WeakPolarHBondContact CD2-O 3.2Å; F223-R243 WeakPolarHBondContact CG-O 3.31Å; C241-R243 PolarHBondContact O-N 3.1Å
244	T	96.1	Very high	95.3	Very high	61 Å²	61	71.9 Å²	71.9	37%	0.374	35%	0.35	S	S	.	.	S	Bend	trans	-124.3	-0.9	172.4	54.9	0	0	0	0	112.9	F223 G308 S309	F223-T244 VanDerWaalsContact CD1-C 3.42Å; F223-T244 VanDerWaalsContact CD1-O 3.3Å; F223-T244 WeakPolarHBondContact CD1-O 3.4Å; F223-T244 VanDerWaalsContact CE1-O 3.32Å; F223-T244 WeakPolarHBondContact CE1-O 3.26Å; T244-G308 CarbonylContact O-C 3.56Å; T244-G308 VanDerWaalsContact O-CA 3.3Å; T244-G308 WeakPolarHBondContact O-CA 3.36Å; T244-S309 PolarHBondContact O-N 2.81Å
245	F	97.3	Very high	95.5	Very high	105 Å²	105	78.6 Å²	78.6	46%	0.461	38%	0.381	S	S	.	.	S	Bend	trans	-151.5	162	177.1	53.8	-88.8	0	0	0	110.7	F260	F245-F260 HydrophobicContact CB-CE1 4.4Å; F245-F260 HydrophobicContact CB-CZ 4.08Å; F245-F260 AromaticContact CD2-CE1 3.93Å; F245-F260 HydrophobicContact CD2-CE1 3.93Å; F245-F260 HydrophobicContact CD2-CZ 4.4Å
246	P	98	Very high	95.8	Very high	1 Å²	1	77.2 Å²	77.2	1%	0.006	37%	0.374	C	S	.	.			trans	-58.8	145.1	175.5	-22.7	33.6	0	0	0	112.3	F260 I262 Y270 V300 T302	P246-F260 HydrophobicContact CB-CB 3.98Å; P246-F260 HydrophobicContact CB-CD1 4.37Å; P246-F260 HydrophobicContact CB-CD2 4.21Å; P246-F260 HydrophobicContact CB-CG 3.93Å; P246-F260 HydrophobicContact CG-CB 4.4Å; P246-F260 HydrophobicContact CG-CD2 3.82Å; P246-F260 HydrophobicContact CG-CE2 4.29Å; P246-F260 HydrophobicContact CG-CG 4.07Å; P246-I262 HydrophobicContact CB-CD1 3.78Å; P246-Y270 WeakPolarHBondContact CB-OH 3.48Å; P246-V300 HydrophobicContact CG-CB 4.42Å; P246-V300 HydrophobicContact CG-CG1 3.96Å; P246-T302 HydrophobicContact CG-CG2 3.56Å
247	P	97.4	Very high	96.1	Very high	6 Å²	6	69.3 Å²	69.3	4%	0.039	35%	0.345	C	S	.	.	S	Bend	trans	-65.6	172.7	171.4	29.7	-33.6	0	0	0	111.4	I262 H267 Y270	P247-I262 HydrophobicContact CG-CD1 4.31Å; P247-I262 HydrophobicContact CG-CG2 3.97Å; P247-I262 WeakPolarHBondContact O-CD1 3.43Å; P247-I262 VanDerWaalsContact O-CG1 3.24Å; P247-I262 WeakPolarHBondContact O-CG1 3.27Å; P247-H267 HydrophobicContact CB-CB 4.47Å; P247-H267 HydrophobicContact CG-CB 4.11Å; P247-Y270 HydrophobicContact CG-CD1 3.89Å; P247-Y270 HydrophobicContact CG-CD2 3.69Å; P247-Y270 HydrophobicContact CG-CE1 4.35Å; P247-Y270 HydrophobicContact CG-CE2 4.11Å; P247-Y270 HydrophobicContact CG-CG 3.56Å
248	G	96.6	Very high	96.3	Very high	33 Å²	33	67 Å²	67	34%	0.34	33%	0.334	S	S	.	.	S	Bend	trans	92	-159.5	179.5	0	0	0	0	0	112.5	E261	G248-E261 WeakPolarHBondContact CA-O 3.23Å
249	N	97.3	Very high	96.6	Very high	106 Å²	106	62.2 Å²	62.2	57%	0.567	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	130.8	-174	-63.3	-31.6	0	0	0	110.1	I251 F260 E261	N249-I251 HydrophobicContact CB-CG2 4.23Å; N249-I251 PolarHBondContact O-N 2.8Å; N249-F260 CarbonylContact O-C 3.55Å; N249-F260 VanDerWaalsContact O-CA 3.26Å; N249-F260 WeakPolarHBondContact O-CA 3.36Å; N249-E261 PolarHBondContact N-O 3.37Å; N249-E261 PolarHBondContact O-N 2.58Å
250	E	98.1	Very high	97	Very high	92 Å²	92	56 Å²	56	43%	0.43	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	109.6	165.7	-172.7	175.9	-146.8	0	0	108.7	R253 S258 F259 F260	E250-R253 WeakPolarHBondContact OE1-CD 3.3Å; E250-S258 WeakPolarHBondContact OE1-CB 3.26Å; E250-S258 PolarHBondContact OE1-OG 3.44Å; E250-F259 CarbonylContact C-O 3.55Å; E250-F259 WeakPolarHBondContact CA-O 3.44Å; E250-F260 HydrophobicContact CB-CD1 4.03Å; E250-F260 HydrophobicContact CB-CE1 3.73Å; E250-F260 HydrophobicContact CB-CZ 4.21Å; E250-F260 HydrophobicContact CG-CE1 4.18Å; E250-F260 HydrophobicContact CG-CZ 4.16Å
251	I	97.9	Very high	97.2	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-16.5	-174.2	63.8	161.7	0	0	0	112.2	N249 F259 E261 Y299 L465 H466 W467	N249-I251 HydrophobicContact CB-CG2 4.23Å; N249-I251 PolarHBondContact O-N 2.8Å; I251-F259 HydrophobicContact CD1-CB 4.34Å; I251-F259 HydrophobicContact CG1-CB 3.87Å; I251-F259 WeakPolarHBondContact CG1-O 3.49Å; I251-F259 PolarHBondContact N-O 3.3Å; I251-E261 HydrophobicContact CD1-CB 4.36Å; I251-E261 HydrophobicContact CG2-CB 3.67Å; I251-Y299 HydrophobicContact CD1-CD1 3.75Å; I251-Y299 HydrophobicContact CD1-CE1 3.84Å; I251-L465 HydrophobicContact CD1-CD1 4.29Å; I251-L465 HydrophobicContact CG1-CD1 4.48Å; I251-L465 CarbonylContact O-C 3.4Å; I251-L465 WeakPolarHBondContact O-CD1 3.49Å; I251-H466 PolarHBondContact O-N 3.47Å; I251-W467 HydrophobicContact CB-CB 4.32Å
252	Y	98.5	Very high	97.3	Very high	3 Å²	3	51.1 Å²	51.1	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	135.4	-179	172.4	-89.3	0	0	0	109.1	K254 S258 F259 M352 M356 I460 D461 C464 L465	Y252-K254 HydrophobicContact CE1-CB 3.81Å; Y252-K254 HydrophobicContact CE2-CB 4.47Å; Y252-K254 VanDerWaalsContact OH-CB 3.31Å; Y252-K254 WeakPolarHBondContact OH-CB 3.48Å; Y252-K254 WeakPolarHBondContact OH-CD 3.29Å; Y252-S258 CarbonylContact O-C 3.6Å; Y252-S258 WeakPolarHBondContact O-CA 3.28Å; Y252-F259 AromaticContact CD1-CD2 3.83Å; Y252-F259 HydrophobicContact CD1-CD2 3.83Å; Y252-F259 HydrophobicContact CG-CD2 4.27Å; Y252-F259 PolarHBondContact N-O 2.97Å; Y252-F259 PolarHBondContact O-N 3.48Å; Y252-M352 HydrophobicContact CE1-CE 4.01Å; Y252-M356 HydrophobicContact CD2-CE 4.2Å; Y252-M356 HydrophobicContact CG-CE 4Å; Y252-I460 HydrophobicContact CD2-CG2 4.29Å; Y252-I460 HydrophobicContact CE2-CG2 3.93Å; Y252-D461 HydrophobicContact CE2-CB 4.35Å; Y252-D461 WeakPolarHBondContact CE2-O 3.37Å; Y252-C464 WeakPolarHBondContact CA-O 3.3Å; Y252-C464 HydrophobicContact CD2-CB 3.95Å; Y252-C464 HydrophobicContact CE2-CB 3.69Å; Y252-L465 HydrophobicContact CD2-CB 4.34Å
253	R	97.5	Very high	97.4	Very high	91 Å²	91	44.8 Å²	44.8	34%	0.343	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	121.3	173	178.2	68.2	-179.5	166.1	-6.1	109.7	E250 E255 N256 L257 S258 T304 C464	E250-R253 WeakPolarHBondContact OE1-CD 3.3Å; R253-E255 PolarHBondContact NE-O 3.35Å; R253-E255 VanDerWaalsContact NE-O 3.1Å; R253-E255 PolarHBondContact NH2-O 3.13Å; R253-N256 PolarHBondContact NH1-O 3.29Å; R253-L257 WeakPolarHBondContact CA-O 3.36Å; R253-S258 WeakPolarHBondContact CD-OG 3.49Å; R253-S258 PolarHBondContact NH1-OG 3.11Å; R253-T304 PolarHBondContact NH1-OG1 3.47Å; R253-C464 WeakPolarHBondContact O-CB 3.33Å
254	K	97	Very high	97.3	Very high	60 Å²	60	39.9 Å²	39.9	26%	0.261	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	118.8	170.2	-176.5	171.2	-176.2	161.7	0	109.5	Y252 N256 L257 D461 C464	Y252-K254 HydrophobicContact CE1-CB 3.81Å; Y252-K254 HydrophobicContact CE2-CB 4.47Å; Y252-K254 VanDerWaalsContact OH-CB 3.31Å; Y252-K254 WeakPolarHBondContact OH-CB 3.48Å; Y252-K254 WeakPolarHBondContact OH-CD 3.29Å; K254-N256 PolarHBondContact O-N 2.9Å; K254-N256 VanDerWaalsContact O-N 3.09Å; K254-L257 PolarHBondContact N-O 2.88Å; K254-L257 PolarHBondContact O-N 3.35Å; K254-D461 HydrophobicContact CD-CB 3.9Å; K254-D461 IonicContact NZ-OD2 2.81Å; K254-D461 PolarHBondContact NZ-OD2 3.22Å; K254-C464 HydrophobicContact CB-CB 4.46Å
255	E	95.4	Very high	97.2	Very high	150 Å²	150	42.7 Å²	42.7	70%	0.701	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	-111.1	-175.2	-60.7	173.2	-171.8	0	0	111.3	R253	R253-E255 PolarHBondContact NE-O 3.35Å; R253-E255 VanDerWaalsContact NE-O 3.1Å; R253-E255 PolarHBondContact NH2-O 3.13Å
256	N	96.7	Very high	97.2	Very high	50 Å²	50	45.2 Å²	45.2	27%	0.267	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	1.8	177.7	72.4	-23.7	0	0	0	113.6	R253 K254 E303 T304	R253-N256 PolarHBondContact NH1-O 3.29Å; K254-N256 PolarHBondContact O-N 2.9Å; K254-N256 VanDerWaalsContact O-N 3.09Å; N256-E303 VanDerWaalsContact ND2-CG 3.33Å; N256-E303 WeakPolarHBondContact ND2-CG 3.26Å; N256-E303 PolarHBondContact ND2-OE1 2.98Å; N256-E303 CarbonylContact O-C 3.57Å; N256-E303 WeakPolarHBondContact O-CA 3.38Å; N256-T304 PolarHBondContact O-N 2.85Å
257	L	98.3	Very high	97.1	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.1	-180	-63.3	-177.5	0	0	0	111.9	R253 K254 L301 T302 E303 I312 F349 M352	R253-L257 WeakPolarHBondContact CA-O 3.36Å; K254-L257 PolarHBondContact N-O 2.88Å; K254-L257 PolarHBondContact O-N 3.35Å; L257-L301 HydrophobicContact CB-CD1 4.4Å; L257-T302 WeakPolarHBondContact CA-O 3.39Å; L257-E303 HydrophobicContact CD2-CB 4.29Å; L257-I312 HydrophobicContact CD2-CD1 3.67Å; L257-F349 HydrophobicContact CD1-CE1 4.13Å; L257-F349 HydrophobicContact CD2-CE1 4.09Å; L257-M352 HydrophobicContact CB-CE 4.5Å; L257-M352 HydrophobicContact CD1-CE 3.8Å; L257-M352 HydrophobicContact CD1-SD 4.01Å
258	S	98.3	Very high	96.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.4	178.3	-62.2	0	0	0	0	112.9	E250 Y252 R253 L301 T302	E250-S258 WeakPolarHBondContact OE1-CB 3.26Å; E250-S258 PolarHBondContact OE1-OG 3.44Å; Y252-S258 CarbonylContact O-C 3.6Å; Y252-S258 WeakPolarHBondContact O-CA 3.28Å; R253-S258 WeakPolarHBondContact CD-OG 3.49Å; R253-S258 PolarHBondContact NH1-OG 3.11Å; S258-L301 CarbonylContact O-C 3.51Å; S258-L301 WeakPolarHBondContact O-CA 3.17Å; S258-T302 PolarHBondContact N-O 3.11Å; S258-T302 VanDerWaalsContact N-O 3.07Å; S258-T302 PolarHBondContact O-N 3.19Å; S258-T302 PolarHBondContact O-OG1 2.88Å
259	F	98.6	Very high	96.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.5	164.1	-80	-100	0	0	0	111	E250 I251 Y252 V300 L301 F315 M352 L353 M356 I460	E250-F259 CarbonylContact C-O 3.55Å; E250-F259 WeakPolarHBondContact CA-O 3.44Å; I251-F259 HydrophobicContact CD1-CB 4.34Å; I251-F259 HydrophobicContact CG1-CB 3.87Å; I251-F259 WeakPolarHBondContact CG1-O 3.49Å; I251-F259 PolarHBondContact N-O 3.3Å; Y252-F259 AromaticContact CD1-CD2 3.83Å; Y252-F259 HydrophobicContact CD1-CD2 3.83Å; Y252-F259 HydrophobicContact CG-CD2 4.27Å; Y252-F259 PolarHBondContact N-O 2.97Å; Y252-F259 PolarHBondContact O-N 3.48Å; F259-V300 CarbonylContact C-O 3.55Å; F259-V300 WeakPolarHBondContact CA-O 3.41Å; F259-L301 HydrophobicContact CD1-CB 4.3Å; F259-L301 HydrophobicContact CD2-CD1 3.91Å; F259-L301 HydrophobicContact CE1-CB 4Å; F259-L301 HydrophobicContact CE2-CB 4.45Å; F259-L301 HydrophobicContact CE2-CD1 3.67Å; F259-L301 HydrophobicContact CE2-CG 4.46Å; F259-L301 HydrophobicContact CZ-CB 4.09Å; F259-L301 HydrophobicContact CZ-CD1 4.11Å; F259-L301 HydrophobicContact CZ-CD2 4.41Å; F259-L301 HydrophobicContact CZ-CG 4.42Å; F259-F315 HydrophobicContact CE1-CE1 4.28Å; F259-M352 HydrophobicContact CE2-CE 4.13Å; F259-M352 HydrophobicContact CE2-CG 4.26Å; F259-M352 HydrophobicContact CZ-CG 4.37Å; F259-L353 HydrophobicContact CE1-CD2 3.42Å; F259-L353 VanDerWaalsContact CE1-CD2 3.42Å; F259-L353 HydrophobicContact CZ-CD2 3.69Å; F259-M356 HydrophobicContact CB-CE 4.23Å; F259-M356 HydrophobicContact CD1-CE 4.29Å; F259-M356 HydrophobicContact CD1-CG 4.15Å; F259-M356 HydrophobicContact CD2-CE 3.38Å; F259-M356 HydrophobicContact CE1-CB 4Å; F259-M356 HydrophobicContact CE1-CE 4.48Å; F259-M356 HydrophobicContact CE1-CG 3.91Å; F259-M356 HydrophobicContact CE2-CB 4.42Å; F259-M356 HydrophobicContact CE2-CE 3.63Å; F259-M356 HydrophobicContact CE2-CG 4.48Å; F259-M356 HydrophobicContact CG-CE 3.73Å; F259-M356 HydrophobicContact CZ-CB 3.83Å; F259-M356 HydrophobicContact CZ-CE 4.18Å; F259-M356 HydrophobicContact CZ-CG 4.08Å; F259-I460 HydrophobicContact CD2-CD1 4.45Å; F259-I460 HydrophobicContact CE2-CD1 3.63Å; F259-I460 HydrophobicContact CZ-CD1 4.25Å
260	F	98.6	Very high	96.8	Very high	9 Å²	9	53 Å²	53	4%	0.039	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.6	171.6	-66.4	-96.7	0	0	0	110.1	F245 P246 N249 E250 I262 Y299 V300 T302	F245-F260 HydrophobicContact CB-CE1 4.4Å; F245-F260 HydrophobicContact CB-CZ 4.08Å; F245-F260 AromaticContact CD2-CE1 3.93Å; F245-F260 HydrophobicContact CD2-CE1 3.93Å; F245-F260 HydrophobicContact CD2-CZ 4.4Å; P246-F260 HydrophobicContact CB-CB 3.98Å; P246-F260 HydrophobicContact CB-CD1 4.37Å; P246-F260 HydrophobicContact CB-CD2 4.21Å; P246-F260 HydrophobicContact CB-CG 3.93Å; P246-F260 HydrophobicContact CG-CB 4.4Å; P246-F260 HydrophobicContact CG-CD2 3.82Å; P246-F260 HydrophobicContact CG-CE2 4.29Å; P246-F260 HydrophobicContact CG-CG 4.07Å; N249-F260 CarbonylContact O-C 3.55Å; N249-F260 VanDerWaalsContact O-CA 3.26Å; N249-F260 WeakPolarHBondContact O-CA 3.36Å; E250-F260 HydrophobicContact CB-CD1 4.03Å; E250-F260 HydrophobicContact CB-CE1 3.73Å; E250-F260 HydrophobicContact CB-CZ 4.21Å; E250-F260 HydrophobicContact CG-CE1 4.18Å; E250-F260 HydrophobicContact CG-CZ 4.16Å; F260-I262 HydrophobicContact CB-CG1 4.37Å; F260-Y299 CarbonylContact O-C 3.42Å; F260-Y299 VanDerWaalsContact O-CA 3.3Å; F260-Y299 WeakPolarHBondContact O-CA 3.08Å; F260-V300 PolarHBondContact N-O 3.48Å; F260-V300 PolarHBondContact O-N 2.84Å; F260-T302 HydrophobicContact CD2-CG2 4.07Å; F260-T302 HydrophobicContact CE2-CG2 4.16Å; F260-T302 WeakPolarHBondContact CE2-OG1 3.04Å
261	E	98.3	Very high	96.7	Very high	32 Å²	32	48.6 Å²	48.6	15%	0.15	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119	168.1	-178.3	-178.1	74.9	0	0	109.5	G248 N249 I251 F298 Y299 W467	G248-E261 WeakPolarHBondContact CA-O 3.23Å; N249-E261 PolarHBondContact N-O 3.37Å; N249-E261 PolarHBondContact O-N 2.58Å; I251-E261 HydrophobicContact CD1-CB 4.36Å; I251-E261 HydrophobicContact CG2-CB 3.67Å; E261-F298 WeakPolarHBondContact CA-O 3.43Å; E261-Y299 HydrophobicContact CB-CD1 4.11Å; E261-Y299 HydrophobicContact CB-CE1 3.86Å; E261-Y299 HydrophobicContact CG-CD1 4.26Å; E261-Y299 HydrophobicContact CG-CE1 3.64Å; E261-Y299 VanDerWaalsContact OE2-CE1 3.23Å; E261-Y299 WeakPolarHBondContact OE2-CE1 3.49Å; E261-Y299 VanDerWaalsContact OE2-CZ 3.26Å; E261-Y299 PolarHBondContact OE2-OH 3.48Å; E261-W467 PolarHBondContact OE2-NE1 3.4Å
262	I	97.7	Very high	96.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.2	-174.8	-37.4	-171.2	0	0	0	109.2	P246 P247 F260 G264 H267 Y270 L297 F298 V300	P246-I262 HydrophobicContact CB-CD1 3.78Å; P247-I262 HydrophobicContact CG-CD1 4.31Å; P247-I262 HydrophobicContact CG-CG2 3.97Å; P247-I262 WeakPolarHBondContact O-CD1 3.43Å; P247-I262 VanDerWaalsContact O-CG1 3.24Å; P247-I262 WeakPolarHBondContact O-CG1 3.27Å; F260-I262 HydrophobicContact CB-CG1 4.37Å; I262-G264 PolarHBondContact O-N 2.99Å; I262-H267 HydrophobicContact CG2-CB 3.79Å; I262-Y270 HydrophobicContact CD1-CD1 3.89Å; I262-Y270 HydrophobicContact CD1-CE1 3.46Å; I262-Y270 VanDerWaalsContact CD1-CE1 3.46Å; I262-L297 WeakPolarHBondContact O-CA 3.37Å; I262-F298 HydrophobicContact CB-CB 4.22Å; I262-F298 PolarHBondContact N-O 3.47Å; I262-F298 PolarHBondContact O-N 3.15Å; I262-V300 HydrophobicContact CD1-CB 4.3Å; I262-V300 HydrophobicContact CD1-CG2 3.54Å; I262-V300 HydrophobicContact CG1-CG2 4.24Å
263	D	95.7	Very high	96.3	Very high	29 Å²	29	55.2 Å²	55.2	16%	0.155	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	115.5	173.4	-175.1	-20.5	0	0	0	110.2	Q265 K266 H267 L297 K319	D263-Q265 PolarHBondContact O-N 2.87Å; D263-Q265 VanDerWaalsContact OD1-CB 3.31Å; D263-Q265 WeakPolarHBondContact OD1-CB 3.43Å; D263-Q265 PolarHBondContact OD1-N 3.44Å; D263-K266 HydrophobicContact CB-CB 4.12Å; D263-K266 HydrophobicContact CB-CD 4Å; D263-K266 HydrophobicContact CB-CG 4.02Å; D263-K266 PolarHBondContact O-N 3.16Å; D263-K266 VanDerWaalsContact O-N 3.11Å; D263-H267 PolarHBondContact O-N 3.15Å; D263-L297 HydrophobicContact CB-CD2 4.21Å; D263-K319 VanDerWaalsContact OD1-CE 3.25Å; D263-K319 WeakPolarHBondContact OD1-CE 3.44Å; D263-K319 IonicContact OD1-NZ 2.73Å; D263-K319 PolarHBondContact OD1-NZ 2.8Å; D263-K319 IonicContact OD2-NZ 2.65Å
264	G	94.5	Very high	96.3	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.7	178.6	0	0	0	0	0	114.1	I262 Q268 V293 F296	I262-G264 PolarHBondContact O-N 2.99Å; G264-Q268 VanDerWaalsContact O-CA 3.31Å; G264-Q268 WeakPolarHBondContact O-CA 3.47Å; G264-Q268 WeakPolarHBondContact O-CG 3.43Å; G264-Q268 PolarHBondContact O-N 3.39Å; G264-V293 WeakPolarHBondContact CA-O 3.27Å; G264-F296 WeakPolarHBondContact CA-O 3.31Å; G264-F296 PolarHBondContact N-O 3.13Å
265	Q	93.5	Very high	96.1	Very high	120 Å²	120	48.4 Å²	48.4	56%	0.561	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-36.8	175.7	-172.9	174.4	22.7	0	0	111.9	D263 Q268 P294	D263-Q265 PolarHBondContact O-N 2.87Å; D263-Q265 VanDerWaalsContact OD1-CB 3.31Å; D263-Q265 WeakPolarHBondContact OD1-CB 3.43Å; D263-Q265 PolarHBondContact OD1-N 3.44Å; Q265-Q268 PolarHBondContact O-NE2 3.44Å; Q265-P294 HydrophobicContact CB-CB 4.1Å; Q265-P294 HydrophobicContact CG-CB 4.36Å
266	K	96.4	Very high	96	Very high	158 Å²	158	41.4 Å²	41.4	69%	0.687	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-33.4	179.3	-62.6	-179.5	-174.5	174	0	112.4	D263	D263-K266 HydrophobicContact CB-CB 4.12Å; D263-K266 HydrophobicContact CB-CD 4Å; D263-K266 HydrophobicContact CB-CG 4.02Å; D263-K266 PolarHBondContact O-N 3.16Å; D263-K266 VanDerWaalsContact O-N 3.11Å
267	H	96.3	Very high	95.9	Very high	54 Å²	54	39.1 Å²	39.1	25%	0.25	18%	0.177	C	C	.	.	S	Bend	trans	-123.9	50	-174.8	-59.3	-58.5	0	0	0	112.4	P247 I262 D263 E269 Y270 C271	P247-H267 HydrophobicContact CB-CB 4.47Å; P247-H267 HydrophobicContact CG-CB 4.11Å; I262-H267 HydrophobicContact CG2-CB 3.79Å; D263-H267 PolarHBondContact O-N 3.15Å; H267-E269 VanDerWaalsContact C-N 3.35Å; H267-E269 PolarHBondContact O-N 2.9Å; H267-Y270 PolarHBondContact O-N 3.44Å; H267-C271 PolarHBondContact O-N 3.12Å; H267-C271 PolarHBondContact O-SG 2.9Å
268	Q	94.3	Very high	95.7	Very high	112 Å²	112	38.9 Å²	38.9	52%	0.523	18%	0.175	S	C	.	.	H	α-helix	trans	-52.8	-46.7	-174.3	-69.7	178	44.8	0	0	113.6	G264 Q265 Y270 C271 R272 P294	G264-Q268 VanDerWaalsContact O-CA 3.31Å; G264-Q268 WeakPolarHBondContact O-CA 3.47Å; G264-Q268 WeakPolarHBondContact O-CG 3.43Å; G264-Q268 PolarHBondContact O-N 3.39Å; Q265-Q268 PolarHBondContact O-NE2 3.44Å; Q268-Y270 PolarHBondContact O-N 2.92Å; Q268-C271 PolarHBondContact O-N 3.39Å; Q268-R272 WeakPolarHBondContact O-CB 3.32Å; Q268-R272 PolarHBondContact O-N 2.86Å; Q268-P294 HydrophobicContact CG-CG 4.28Å
269	E	93.9	Very high	95.3	Very high	132 Å²	132	40.8 Å²	40.8	62%	0.617	18%	0.184	S	C	*	.	H	α-helix	trans	-62.2	-46.8	-179	-172.2	-174.6	168.6	0	0	111.8	H267 R272 N273	H267-E269 VanDerWaalsContact C-N 3.35Å; H267-E269 PolarHBondContact O-N 2.9Å; E269-R272 PolarHBondContact O-N 2.85Å; E269-N273 WeakPolarHBondContact O-CB 3.26Å; E269-N273 PolarHBondContact O-N 2.63Å; E269-N273 PolarHBondContact O-ND2 3.17Å
270	Y	96.6	Very high	94.9	Very high	11 Å²	11	40.8 Å²	40.8	4%	0.043	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-50	179.3	-174.5	-84.6	0	0	0	111.2	F223 L225 P246 P247 I262 H267 Q268 R272 N273 L274 I311	F223-Y270 WeakPolarHBondContact O-CE2 3.3Å; L225-Y270 HydrophobicContact CD1-CD1 4.3Å; L225-Y270 HydrophobicContact CD1-CD2 4.38Å; L225-Y270 HydrophobicContact CD1-CE1 3.78Å; L225-Y270 HydrophobicContact CD1-CE2 3.93Å; L225-Y270 HydrophobicContact CG-CE2 4.02Å; P246-Y270 WeakPolarHBondContact CB-OH 3.48Å; P247-Y270 HydrophobicContact CG-CD1 3.89Å; P247-Y270 HydrophobicContact CG-CD2 3.69Å; P247-Y270 HydrophobicContact CG-CE1 4.35Å; P247-Y270 HydrophobicContact CG-CE2 4.11Å; P247-Y270 HydrophobicContact CG-CG 3.56Å; I262-Y270 HydrophobicContact CD1-CD1 3.89Å; I262-Y270 HydrophobicContact CD1-CE1 3.46Å; I262-Y270 VanDerWaalsContact CD1-CE1 3.46Å; H267-Y270 PolarHBondContact O-N 3.44Å; Q268-Y270 PolarHBondContact O-N 2.92Å; Y270-R272 PolarHBondContact O-N 3.27Å; Y270-N273 PolarHBondContact O-N 3.36Å; Y270-L274 HydrophobicContact CE1-CD2 4.46Å; Y270-L274 WeakPolarHBondContact O-CB 3.4Å; Y270-L274 PolarHBondContact O-N 3.19Å; Y270-I311 VanDerWaalsContact OH-CD1 3.29Å; Y270-I311 WeakPolarHBondContact OH-CD1 3.3Å
271	C	96.1	Very high	94.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.6	-36	-178.2	-65.8	0	0	0	0	111.9	H267 Q268 L274 C275 V293 F298	H267-C271 PolarHBondContact O-N 3.12Å; H267-C271 PolarHBondContact O-SG 2.9Å; Q268-C271 PolarHBondContact O-N 3.39Å; C271-L274 PolarHBondContact O-N 3.09Å; C271-C275 WeakPolarHBondContact O-CB 3.09Å; C271-C275 PolarHBondContact O-N 3.35Å; C271-C275 PolarHBondContact O-SG 2.97Å; C271-C275 VanDerWaalsContact O-SG 3.36Å; C271-V293 HydrophobicContact CB-CG1 3.38Å; C271-F298 HydrophobicContact CB-CD2 3.9Å; C271-F298 HydrophobicContact CB-CE2 3.57Å; C271-F298 HydrophobicContact CB-CZ 3.92Å; C271-F298 WeakPolarHBondContact SG-CD2 3.31Å
272	R	94	Very high	94	Very high	127 Å²	127	40.4 Å²	40.4	48%	0.479	18%	0.183	S	C	.	.	H	α-helix	trans	-60.6	-48	171	-175.9	-173.3	177.7	-160.4	0.3	111	Q268 E269 Y270 C275 L276 L290 V293	Q268-R272 WeakPolarHBondContact O-CB 3.32Å; Q268-R272 PolarHBondContact O-N 2.86Å; E269-R272 PolarHBondContact O-N 2.85Å; Y270-R272 PolarHBondContact O-N 3.27Å; R272-C275 WeakPolarHBondContact O-CB 3.4Å; R272-C275 PolarHBondContact O-N 2.77Å; R272-C275 VanDerWaalsContact O-N 3.15Å; R272-L276 WeakPolarHBondContact O-CG 3.3Å; R272-L276 PolarHBondContact O-N 3.13Å; R272-L290 HydrophobicContact CG-CD2 3.63Å; R272-V293 HydrophobicContact CB-CG2 4.43Å
273	N	95.4	Very high	93.1	Very high	19 Å²	19	47.6 Å²	47.6	10%	0.102	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-39.9	178.8	-71.9	-16.7	0	0	0	112.2	L225 E269 Y270 C275 L276 L277	L225-N273 HydrophobicContact CB-CB 3.64Å; L225-N273 WeakPolarHBondContact O-CB 3.31Å; E269-N273 WeakPolarHBondContact O-CB 3.26Å; E269-N273 PolarHBondContact O-N 2.63Å; E269-N273 PolarHBondContact O-ND2 3.17Å; Y270-N273 PolarHBondContact O-N 3.36Å; N273-C275 VanDerWaalsContact C-N 3.29Å; N273-C275 PolarHBondContact O-N 2.75Å; N273-L276 PolarHBondContact O-N 2.97Å; N273-L277 PolarHBondContact O-N 3.13Å
274	L	96.2	Very high	91.8	Very high	4 Å²	4	53 Å²	53	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-42.5	171.6	-177.7	60	0	0	0	110.9	L225 Y270 C271 L277 A278 F298 V300 Y314	L225-L274 HydrophobicContact CD1-CB 3.65Å; L225-L274 HydrophobicContact CD1-CD1 3.91Å; L225-L274 HydrophobicContact CD1-CG 4.34Å; Y270-L274 HydrophobicContact CE1-CD2 4.46Å; Y270-L274 WeakPolarHBondContact O-CB 3.4Å; Y270-L274 PolarHBondContact O-N 3.19Å; C271-L274 PolarHBondContact O-N 3.09Å; L274-L277 PolarHBondContact O-N 2.89Å; L274-A278 VanDerWaalsContact O-CB 3.24Å; L274-A278 WeakPolarHBondContact O-CB 3.2Å; L274-A278 PolarHBondContact O-N 2.8Å; L274-F298 HydrophobicContact CD2-CB 4.49Å; L274-F298 HydrophobicContact CD2-CD1 3.9Å; L274-F298 HydrophobicContact CD2-CG 4.48Å; L274-V300 HydrophobicContact CD2-CG2 3.93Å; L274-Y314 HydrophobicContact CD1-CD1 3.76Å; L274-Y314 HydrophobicContact CD1-CE1 3.99Å; L274-Y314 HydrophobicContact CD1-CG 4.29Å; L274-Y314 HydrophobicContact CD2-CD1 4.08Å; L274-Y314 HydrophobicContact CD2-CD2 3.85Å; L274-Y314 HydrophobicContact CD2-CE1 4.41Å; L274-Y314 HydrophobicContact CD2-CE2 4.22Å; L274-Y314 HydrophobicContact CD2-CG 3.79Å; L274-Y314 HydrophobicContact CG-CD1 4.01Å; L274-Y314 HydrophobicContact CG-CD2 4.44Å; L274-Y314 HydrophobicContact CG-CE1 3.99Å; L274-Y314 HydrophobicContact CG-CE2 4.44Å; L274-Y314 HydrophobicContact CG-CG 4.24Å
275	C	93.9	Very high	90.3	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.027	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-41.9	176.7	-79.4	0	0	0	0	113	C271 R272 N273 A278 K279 K285 L290	C271-C275 WeakPolarHBondContact O-CB 3.09Å; C271-C275 PolarHBondContact O-N 3.35Å; C271-C275 PolarHBondContact O-SG 2.97Å; C271-C275 VanDerWaalsContact O-SG 3.36Å; R272-C275 WeakPolarHBondContact O-CB 3.4Å; R272-C275 PolarHBondContact O-N 2.77Å; R272-C275 VanDerWaalsContact O-N 3.15Å; N273-C275 VanDerWaalsContact C-N 3.29Å; N273-C275 PolarHBondContact O-N 2.75Å; C275-A278 PolarHBondContact O-N 3.34Å; C275-K279 WeakPolarHBondContact O-CB 3.38Å; C275-K279 PolarHBondContact O-N 3.07Å; C275-K285 VanDerWaalsContact CA-NZ 3.27Å; C275-K285 PolarHBondContact O-NZ 3.29Å; C275-K285 PolarHBondContact SG-NZ 3.24Å; C275-L290 HydrophobicContact CB-CD2 3.97Å
276	L	92.5	Very high	88.3	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-46.5	175.2	-68.9	174.5	0	0	0	111.5	S206 N207 Y208 R272 N273 A278 K279 L290	S206-L276 VanDerWaalsContact CB-O 3.31Å; S206-L276 WeakPolarHBondContact CB-O 3.24Å; S206-L276 WeakPolarHBondContact OG-CA 3.44Å; S206-L276 PolarHBondContact OG-O 2.87Å; N207-L276 VanDerWaalsContact C-CD2 3.45Å; N207-L276 HydrophobicContact CB-CD2 4.41Å; N207-L276 WeakPolarHBondContact O-CD2 3.49Å; Y208-L276 HydrophobicContact CD1-CB 4.37Å; Y208-L276 HydrophobicContact CD1-CD1 4.02Å; Y208-L276 HydrophobicContact CD2-CB 4.34Å; Y208-L276 HydrophobicContact CE1-CB 3.86Å; Y208-L276 HydrophobicContact CE1-CD1 4.06Å; Y208-L276 HydrophobicContact CE2-CB 3.82Å; R272-L276 WeakPolarHBondContact O-CG 3.3Å; R272-L276 PolarHBondContact O-N 3.13Å; N273-L276 PolarHBondContact O-N 2.97Å; L276-A278 VanDerWaalsContact C-N 3.32Å; L276-A278 PolarHBondContact O-N 3.11Å; L276-K279 PolarHBondContact O-N 3.21Å; L276-L290 HydrophobicContact CD2-CD1 3.94Å; L276-L290 HydrophobicContact CD2-CD2 3.85Å; L276-L290 HydrophobicContact CG-CD2 3.91Å
277	L	94.6	Very high	85.8	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-44.6	176.1	175.3	62	0	0	0	110.6	F195 Y208 I220 L225 N273 L274 K279 L280 F281 L341	F195-L277 HydrophobicContact CD2-CD2 4.21Å; F195-L277 HydrophobicContact CE2-CD2 3.69Å; F195-L277 HydrophobicContact CZ-CD2 4.14Å; Y208-L277 VanDerWaalsContact OH-CA 3.31Å; Y208-L277 WeakPolarHBondContact OH-CA 3.25Å; Y208-L277 PolarHBondContact OH-N 3.32Å; Y208-L277 VanDerWaalsContact OH-N 3.13Å; I220-L277 HydrophobicContact CD1-CD1 3.99Å; L225-L277 HydrophobicContact CD2-CD2 4.21Å; N273-L277 PolarHBondContact O-N 3.13Å; L274-L277 PolarHBondContact O-N 2.89Å; L277-K279 VanDerWaalsContact C-N 3.32Å; L277-K279 PolarHBondContact O-N 2.94Å; L277-L280 HydrophobicContact CD1-CD1 4.32Å; L277-L280 WeakPolarHBondContact O-CB 3.39Å; L277-L280 PolarHBondContact O-N 3.28Å; L277-F281 HydrophobicContact CD1-CE2 3.99Å; L277-F281 WeakPolarHBondContact O-CD2 3.47Å; L277-L341 HydrophobicContact CD2-CD2 4.29Å; L277-L341 HydrophobicContact CG-CD2 4.4Å
278	A	93.6	Very high	83.4	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-38.9	-176.9	0	0	0	0	0	112.9	L274 C275 L276 L280 F281 L282 Y314 L339	L274-A278 VanDerWaalsContact O-CB 3.24Å; L274-A278 WeakPolarHBondContact O-CB 3.2Å; L274-A278 PolarHBondContact O-N 2.8Å; C275-A278 PolarHBondContact O-N 3.34Å; L276-A278 VanDerWaalsContact C-N 3.32Å; L276-A278 PolarHBondContact O-N 3.11Å; A278-L280 PolarHBondContact O-N 3.23Å; A278-F281 PolarHBondContact O-N 3.25Å; A278-L282 HydrophobicContact CB-CD1 4.2Å; A278-L282 WeakPolarHBondContact O-CG 3.46Å; A278-L282 PolarHBondContact O-N 3.31Å; A278-L282 VanDerWaalsContact O-N 3.13Å; A278-Y314 HydrophobicContact CB-CE1 3.56Å; A278-Y314 WeakPolarHBondContact CB-OH 3.37Å; A278-L339 VanDerWaalsContact CA-CD2 3.43Å; A278-L339 HydrophobicContact CB-CD2 3.71Å
279	K	90.4	Very high	81.5	Confident	39 Å²	39	48.2 Å²	48.2	17%	0.17	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-26	179.9	179.3	49.2	165.7	-178.2	0	112.6	H205 C275 L276 L277 F281 L282 K283 K285	H205-K279 VanDerWaalsContact O-CG 3.31Å; H205-K279 WeakPolarHBondContact O-CG 3.48Å; C275-K279 WeakPolarHBondContact O-CB 3.38Å; C275-K279 PolarHBondContact O-N 3.07Å; L276-K279 PolarHBondContact O-N 3.21Å; L277-K279 VanDerWaalsContact C-N 3.32Å; L277-K279 PolarHBondContact O-N 2.94Å; K279-F281 PolarHBondContact O-N 3.15Å; K279-F281 VanDerWaalsContact O-N 3.11Å; K279-L282 WeakPolarHBondContact CD-O 3.16Å; K279-L282 PolarHBondContact O-N 3.22Å; K279-K283 PolarHBondContact NZ-O 3.28Å; K279-K285 HydrophobicContact CB-CD 4.18Å; K279-K285 HydrophobicContact CD-CB 3.65Å; K279-K285 PolarHBondContact NZ-O 3.45Å
280	L	90.7	Very high	80.1	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.4	172.2	-64.5	170.5	0	0	0	113.3	I190 V193 P202 W203 Y204 Y208 L277 A278	I190-L280 HydrophobicContact CD1-CD2 4.31Å; V193-L280 HydrophobicContact CG2-CD1 3.64Å; P202-L280 HydrophobicContact CB-CB 4.04Å; P202-L280 HydrophobicContact CB-CD2 3.97Å; P202-L280 HydrophobicContact CG-CB 4.39Å; P202-L280 HydrophobicContact CG-CD1 4.45Å; P202-L280 HydrophobicContact CG-CD2 4.03Å; W203-L280 PolarHBondContact N-O 3.34Å; Y204-L280 PolarHBondContact N-O 3.37Å; Y208-L280 HydrophobicContact CE2-CD1 3.87Å; Y208-L280 HydrophobicContact CE2-CD2 4.33Å; Y208-L280 HydrophobicContact CE2-CG 4.12Å; L277-L280 HydrophobicContact CD1-CD1 4.32Å; L277-L280 WeakPolarHBondContact O-CB 3.39Å; L277-L280 PolarHBondContact O-N 3.28Å; A278-L280 PolarHBondContact O-N 3.23Å
281	F	91.4	Very high	78.8	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.018	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	1.6	-176.2	-51	-69.4	0	0	0	113.5	L200 W203 L277 A278 K279 L339 L341 P342	L200-F281 HydrophobicContact CB-CE1 4.37Å; L200-F281 HydrophobicContact CB-CZ 3.89Å; L200-F281 HydrophobicContact CD1-CE2 4.35Å; L200-F281 HydrophobicContact CD1-CZ 3.93Å; W203-F281 HydrophobicContact CD2-CD1 4.35Å; W203-F281 HydrophobicContact CE3-CB 4.25Å; L277-F281 HydrophobicContact CD1-CE2 3.99Å; L277-F281 WeakPolarHBondContact O-CD2 3.47Å; A278-F281 PolarHBondContact O-N 3.25Å; K279-F281 PolarHBondContact O-N 3.15Å; K279-F281 VanDerWaalsContact O-N 3.11Å; F281-L339 HydrophobicContact CB-CD1 3.76Å; F281-L339 HydrophobicContact CB-CD2 4.26Å; F281-L339 HydrophobicContact CD2-CD2 4.15Å; F281-L341 HydrophobicContact CD2-CD2 4.35Å; F281-L341 HydrophobicContact CE2-CD2 4.24Å; F281-P342 HydrophobicContact CD1-CG 3.59Å; F281-P342 HydrophobicContact CE1-CG 3.56Å; F281-P342 HydrophobicContact CG-CG 4.16Å; F281-P342 HydrophobicContact CZ-CG 4.09Å
282	L	86.3	Confident	78.3	Confident	28 Å²	28	53.7 Å²	53.7	15%	0.147	26%	0.26	C	S	.	.			trans	-120.8	122	179.3	-65.9	175.7	0	0	0	112	A278 K279 Q284 C337 L339	A278-L282 HydrophobicContact CB-CD1 4.2Å; A278-L282 WeakPolarHBondContact O-CG 3.46Å; A278-L282 PolarHBondContact O-N 3.31Å; A278-L282 VanDerWaalsContact O-N 3.13Å; K279-L282 WeakPolarHBondContact CD-O 3.16Å; K279-L282 PolarHBondContact O-N 3.22Å; L282-Q284 PolarHBondContact O-N 3.17Å; L282-C337 WeakPolarHBondContact CD1-SG 3.4Å; L282-L339 HydrophobicContact CD1-CB 4.3Å; L282-L339 HydrophobicContact CD2-CD1 4.08Å; L282-L339 HydrophobicContact CG-CD1 4.21Å
283	K	79.1	Confident	78.1	Confident	152 Å²	152	47.9 Å²	47.9	66%	0.661	24%	0.239	S	C	*	.	S	Bend	trans	-58.2	-51.7	-177.6	-169.2	175.9	179.7	-177.6	0	111.9	Y204 K279	Y204-K283 HydrophobicContact CD1-CB 4.24Å; Y204-K283 HydrophobicContact CD1-CG 4.26Å; Y204-K283 HydrophobicContact CE1-CB 3.65Å; Y204-K283 HydrophobicContact CE1-CD 4.34Å; Y204-K283 HydrophobicContact CE1-CG 3.67Å; Y204-K283 HydrophobicContact CE2-CB 3.96Å; Y204-K283 VanDerWaalsContact CZ-CB 3.49Å; K279-K283 PolarHBondContact NZ-O 3.28Å
284	Q	68.5	Low	77.9	Confident	143 Å²	143	49 Å²	49	67%	0.668	25%	0.247	S	C	*	.			trans	-108.6	127.7	-179.6	-72.6	174.7	-15.7	0	0	109.3	L282	L282-Q284 PolarHBondContact O-N 3.17Å
285	K	63.7	Low	77.7	Confident	24 Å²	24	49.7 Å²	49.7	10%	0.104	25%	0.253	C	S	.	.			trans	-162.4	119.4	169.2	-157.4	172.9	-176.7	158.9	0	104.6	C275 K279 E289 Y314	C275-K285 VanDerWaalsContact CA-NZ 3.27Å; C275-K285 PolarHBondContact O-NZ 3.29Å; C275-K285 PolarHBondContact SG-NZ 3.24Å; K279-K285 HydrophobicContact CB-CD 4.18Å; K279-K285 HydrophobicContact CD-CB 3.65Å; K279-K285 PolarHBondContact NZ-O 3.45Å; K285-E289 WeakPolarHBondContact CE-OE2 3.3Å; K285-E289 WeakPolarHBondContact CG-OE2 3.5Å; K285-Y314 PolarHBondContact NZ-OH 3.38Å
286	T	50	Low	77.6	Confident	79 Å²	79	50.1 Å²	50.1	49%	0.485	26%	0.255	S	S	.	.			trans	-73.7	140.2	-175.9	54.3	0	0	0	0	108.9	H288 E289	T286-H288 PolarHBondContact O-N 2.92Å; T286-H288 VanDerWaalsContact O-N 3.17Å; T286-E289 PolarHBondContact N-OE1 2.82Å; T286-E289 WeakPolarHBondContact O-CB 3.24Å; T286-E289 PolarHBondContact O-N 3.18Å; T286-E289 PolarHBondContact OG1-OE1 2.86Å; T286-E289 VanDerWaalsContact OG1-OE1 3.1Å
287	V	43.6	Very low	77.7	Confident	84 Å²	84	51.4 Å²	51.4	51%	0.509	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.2	176	-178.8	0	0	0	0	110.4	N207 E289 L290	N207-V287 VanDerWaalsContact ND2-CG2 3.3Å; N207-V287 WeakPolarHBondContact ND2-CG2 3.19Å; V287-E289 PolarHBondContact O-N 3.11Å; V287-E289 VanDerWaalsContact O-N 3.13Å; V287-L290 WeakPolarHBondContact O-CB 3.42Å; V287-L290 PolarHBondContact O-N 3.39Å
288	H	46.5	Very low	77.9	Confident	123 Å²	123	51.4 Å²	51.4	57%	0.569	26%	0.261	S	S	*	.	H	α-helix	trans	-53.1	-28.9	173.9	-56.6	-58.1	0	0	0	113.9	T286 L290 D291 Q292	T286-H288 PolarHBondContact O-N 2.92Å; T286-H288 VanDerWaalsContact O-N 3.17Å; H288-L290 VanDerWaalsContact C-N 3.3Å; H288-L290 PolarHBondContact O-N 3.4Å; H288-D291 PolarHBondContact O-N 3.17Å; H288-Q292 WeakPolarHBondContact O-CB 3.38Å; H288-Q292 WeakPolarHBondContact O-CG 3.38Å; H288-Q292 PolarHBondContact O-N 3.47Å
289	E	55.5	Low	78.1	Confident	32 Å²	32	51.4 Å²	51.4	15%	0.15	26%	0.261	C	S	.	.	H	α-helix	trans	-68.2	-25.5	177.8	-75	164.6	-123.2	0	0	113.5	K285 T286 V287 Q292 V293	K285-E289 WeakPolarHBondContact CE-OE2 3.3Å; K285-E289 WeakPolarHBondContact CG-OE2 3.5Å; T286-E289 PolarHBondContact N-OE1 2.82Å; T286-E289 WeakPolarHBondContact O-CB 3.24Å; T286-E289 PolarHBondContact O-N 3.18Å; T286-E289 PolarHBondContact OG1-OE1 2.86Å; T286-E289 VanDerWaalsContact OG1-OE1 3.1Å; V287-E289 PolarHBondContact O-N 3.11Å; V287-E289 VanDerWaalsContact O-N 3.13Å; E289-Q292 CarbonylContact O-C 3.6Å; E289-Q292 PolarHBondContact O-N 2.68Å; E289-V293 PolarHBondContact O-N 2.85Å; E289-V293 VanDerWaalsContact O-N 3.12Å
290	L	64.1	Low	78.5	Confident	33 Å²	33	49.6 Å²	49.6	17%	0.173	25%	0.253	C	S	.	.	H	α-helix	trans	-68.4	-39.5	176	-80.4	155.2	0	0	0	111.2	N207 R272 C275 L276 V287 H288 Q292 V293	N207-L290 HydrophobicContact CB-CD1 4.28Å; R272-L290 HydrophobicContact CG-CD2 3.63Å; C275-L290 HydrophobicContact CB-CD2 3.97Å; L276-L290 HydrophobicContact CD2-CD1 3.94Å; L276-L290 HydrophobicContact CD2-CD2 3.85Å; L276-L290 HydrophobicContact CG-CD2 3.91Å; V287-L290 WeakPolarHBondContact O-CB 3.42Å; V287-L290 PolarHBondContact O-N 3.39Å; H288-L290 VanDerWaalsContact C-N 3.3Å; H288-L290 PolarHBondContact O-N 3.4Å; L290-Q292 VanDerWaalsContact C-N 3.32Å; L290-V293 VanDerWaalsContact O-CG2 3.29Å; L290-V293 WeakPolarHBondContact O-CG2 3.37Å
291	D	69.8	Low	78.9	Confident	135 Å²	135	49.5 Å²	49.5	72%	0.722	25%	0.253	S	S	*	.	H	α-helix	trans	-77.8	-22.2	176.3	-60.3	-34	0	0	0	111.7	H288	H288-D291 PolarHBondContact O-N 3.17Å
292	Q	84.2	Confident	79.2	Confident	91 Å²	91	49.3 Å²	49.3	43%	0.425	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	7.4	178	-66.8	174.7	19.2	0	0	114.1	H288 E289 L290 A295 F296	H288-Q292 WeakPolarHBondContact O-CB 3.38Å; H288-Q292 WeakPolarHBondContact O-CG 3.38Å; H288-Q292 PolarHBondContact O-N 3.47Å; E289-Q292 CarbonylContact O-C 3.6Å; E289-Q292 PolarHBondContact O-N 2.68Å; L290-Q292 VanDerWaalsContact C-N 3.32Å; Q292-A295 VanDerWaalsContact O-CB 3.3Å; Q292-A295 WeakPolarHBondContact O-CB 3.39Å; Q292-A295 PolarHBondContact O-N 3.37Å; Q292-F296 HydrophobicContact CB-CE2 4.04Å; Q292-F296 VanDerWaalsContact O-CD2 3.27Å; Q292-F296 WeakPolarHBondContact O-CD2 3.14Å
293	V	89.5	Confident	79.8	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.024	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-43.7	-42	175.9	164.8	0	0	0	0	113.3	G264 C271 R272 E289 L290 A295 F296 F298	G264-V293 WeakPolarHBondContact CA-O 3.27Å; C271-V293 HydrophobicContact CB-CG1 3.38Å; R272-V293 HydrophobicContact CB-CG2 4.43Å; E289-V293 PolarHBondContact O-N 2.85Å; E289-V293 VanDerWaalsContact O-N 3.12Å; L290-V293 VanDerWaalsContact O-CG2 3.29Å; L290-V293 WeakPolarHBondContact O-CG2 3.37Å; V293-A295 PolarHBondContact O-N 3.15Å; V293-A295 VanDerWaalsContact O-N 3.14Å; V293-F296 PolarHBondContact O-N 3.02Å; V293-F296 VanDerWaalsContact O-N 3.15Å; V293-F298 HydrophobicContact CG1-CE2 4.4Å
294	P	92	Very high	80.6	Confident	42 Å²	42	45.2 Å²	45.2	27%	0.273	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-58.4	-24.2	177.3	-27.1	37	0	0	0	116.1	Q265 Q268 F296 K319	Q265-P294 HydrophobicContact CB-CB 4.1Å; Q265-P294 HydrophobicContact CG-CB 4.36Å; Q268-P294 HydrophobicContact CG-CG 4.28Å; P294-F296 VanDerWaalsContact C-N 3.31Å; P294-K319 WeakPolarHBondContact O-CE 3.31Å; P294-K319 PolarHBondContact O-NZ 3.24Å
295	A	91	Very high	81.9	Confident	19 Å²	19	42.4 Å²	42.4	16%	0.157	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-81.2	-6.9	-179.1	0	0	0	0	0	113.6	Q292 V293 K319	Q292-A295 VanDerWaalsContact O-CB 3.3Å; Q292-A295 WeakPolarHBondContact O-CB 3.39Å; Q292-A295 PolarHBondContact O-N 3.37Å; V293-A295 PolarHBondContact O-N 3.15Å; V293-A295 VanDerWaalsContact O-N 3.14Å; A295-K319 WeakPolarHBondContact O-CB 3.49Å; A295-K319 WeakPolarHBondContact O-CG 3.5Å; A295-K319 PolarHBondContact O-N 2.92Å
296	F	93.2	Very high	83.4	Confident	14 Å²	14	50 Å²	50	6%	0.061	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146.5	-174.7	-66.9	-89.5	0	0	0	113.1	G264 Q292 V293 P294 F298 K317 Q318	G264-F296 WeakPolarHBondContact CA-O 3.31Å; G264-F296 PolarHBondContact N-O 3.13Å; Q292-F296 HydrophobicContact CB-CE2 4.04Å; Q292-F296 VanDerWaalsContact O-CD2 3.27Å; Q292-F296 WeakPolarHBondContact O-CD2 3.14Å; V293-F296 PolarHBondContact O-N 3.02Å; V293-F296 VanDerWaalsContact O-N 3.15Å; P294-F296 VanDerWaalsContact C-N 3.31Å; F296-F298 HydrophobicContact CB-CD2 4.3Å; F296-F298 HydrophobicContact CB-CE2 3.62Å; F296-F298 HydrophobicContact CB-CZ 3.94Å; F296-K317 CarbonylContact C-O 3.59Å; F296-K317 WeakPolarHBondContact CA-O 3.27Å; F296-Q318 HydrophobicContact CD1-CB 4.18Å; F296-Q318 HydrophobicContact CE1-CB 3.92Å; F296-Q318 HydrophobicContact CE1-CG 4.42Å
297	L	95.1	Very high	85.4	Confident	30 Å²	30	51.3 Å²	51.3	16%	0.157	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	143.2	156.8	-64.5	173.7	0	0	0	108.7	I262 D263 Y299 S316 K317 K319	I262-L297 WeakPolarHBondContact O-CA 3.37Å; D263-L297 HydrophobicContact CB-CD2 4.21Å; L297-Y299 HydrophobicContact CB-CE2 3.97Å; L297-S316 CarbonylContact O-C 3.58Å; L297-S316 VanDerWaalsContact O-CA 3.26Å; L297-S316 WeakPolarHBondContact O-CA 3.48Å; L297-K317 PolarHBondContact N-O 2.99Å; L297-K317 PolarHBondContact O-N 3.21Å; L297-K319 HydrophobicContact CG-CG 4.11Å
298	F	97.5	Very high	87.9	Confident	3 Å²	3	47.7 Å²	47.7	1%	0.013	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.8	176.8	-62.6	-102.9	0	0	0	109.2	E261 I262 C271 L274 V293 F296 Y314	E261-F298 WeakPolarHBondContact CA-O 3.43Å; I262-F298 HydrophobicContact CB-CB 4.22Å; I262-F298 PolarHBondContact N-O 3.47Å; I262-F298 PolarHBondContact O-N 3.15Å; C271-F298 HydrophobicContact CB-CD2 3.9Å; C271-F298 HydrophobicContact CB-CE2 3.57Å; C271-F298 HydrophobicContact CB-CZ 3.92Å; C271-F298 WeakPolarHBondContact SG-CD2 3.31Å; L274-F298 HydrophobicContact CD2-CB 4.49Å; L274-F298 HydrophobicContact CD2-CD1 3.9Å; L274-F298 HydrophobicContact CD2-CG 4.48Å; V293-F298 HydrophobicContact CG1-CE2 4.4Å; F296-F298 HydrophobicContact CB-CD2 4.3Å; F296-F298 HydrophobicContact CB-CE2 3.62Å; F296-F298 HydrophobicContact CB-CZ 3.94Å; F298-Y314 AromaticContact CD1-CD2 3.86Å; F298-Y314 HydrophobicContact CD1-CD2 3.86Å; F298-Y314 AromaticContact CD1-CE2 3.74Å; F298-Y314 HydrophobicContact CD1-CE2 3.74Å; F298-Y314 HydrophobicContact CE1-CE2 4.09Å
299	Y	98.5	Very high	90.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	102.8	177.5	-65.5	-87.3	0	0	0	108.6	I251 F260 E261 L297 Y314 F315 K317 L360	I251-Y299 HydrophobicContact CD1-CD1 3.75Å; I251-Y299 HydrophobicContact CD1-CE1 3.84Å; F260-Y299 CarbonylContact O-C 3.42Å; F260-Y299 VanDerWaalsContact O-CA 3.3Å; F260-Y299 WeakPolarHBondContact O-CA 3.08Å; E261-Y299 HydrophobicContact CB-CD1 4.11Å; E261-Y299 HydrophobicContact CB-CE1 3.86Å; E261-Y299 HydrophobicContact CG-CD1 4.26Å; E261-Y299 HydrophobicContact CG-CE1 3.64Å; E261-Y299 VanDerWaalsContact OE2-CE1 3.23Å; E261-Y299 WeakPolarHBondContact OE2-CE1 3.49Å; E261-Y299 VanDerWaalsContact OE2-CZ 3.26Å; E261-Y299 PolarHBondContact OE2-OH 3.48Å; L297-Y299 HydrophobicContact CB-CE2 3.97Å; Y299-Y314 CarbonylContact O-C 3.56Å; Y299-Y314 WeakPolarHBondContact O-CA 3.16Å; Y299-Y314 WeakPolarHBondContact O-CB 3.39Å; Y299-F315 VanDerWaalsContact CB-CZ 3.47Å; Y299-F315 HydrophobicContact CD1-CZ 4.27Å; Y299-F315 AromaticContact CD2-CD2 3.94Å; Y299-F315 HydrophobicContact CD2-CD2 3.94Å; Y299-F315 HydrophobicContact CD2-CE1 4.21Å; Y299-F315 AromaticContact CD2-CE2 3.23Å; Y299-F315 HydrophobicContact CD2-CE2 3.23Å; Y299-F315 AromaticContact CD2-CZ 3.4Å; Y299-F315 HydrophobicContact CD2-CZ 3.4Å; Y299-F315 AromaticContact CE2-CE2 3.89Å; Y299-F315 HydrophobicContact CE2-CE2 3.89Å; Y299-F315 HydrophobicContact CE2-CZ 4.17Å; Y299-F315 AromaticContact CG-CE1 3.92Å; Y299-F315 HydrophobicContact CG-CE1 3.92Å; Y299-F315 AromaticContact CG-CE2 3.81Å; Y299-F315 HydrophobicContact CG-CE2 3.81Å; Y299-F315 AromaticContact CG-CZ 3.44Å; Y299-F315 HydrophobicContact CG-CZ 3.44Å; Y299-F315 VanDerWaalsContact CG-CZ 3.44Å; Y299-F315 PolarHBondContact N-O 3.02Å; Y299-F315 PolarHBondContact O-N 3.24Å; Y299-K317 HydrophobicContact CE2-CB 4.2Å; Y299-K317 HydrophobicContact CE2-CD 4.35Å; Y299-L360 HydrophobicContact CD1-CD1 3.86Å; Y299-L360 HydrophobicContact CD2-CD1 4.5Å; Y299-L360 HydrophobicContact CE1-CD1 3.43Å; Y299-L360 VanDerWaalsContact CE1-CD1 3.43Å; Y299-L360 HydrophobicContact CE2-CD1 4.12Å; Y299-L360 HydrophobicContact CG-CD1 4.37Å
300	V	98.7	Very high	92.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.9	-173.2	-177.7	0	0	0	0	109.5	P246 F259 F260 I262 L274 T302 I311	P246-V300 HydrophobicContact CG-CB 4.42Å; P246-V300 HydrophobicContact CG-CG1 3.96Å; F259-V300 CarbonylContact C-O 3.55Å; F259-V300 WeakPolarHBondContact CA-O 3.41Å; F260-V300 PolarHBondContact N-O 3.48Å; F260-V300 PolarHBondContact O-N 2.84Å; I262-V300 HydrophobicContact CD1-CB 4.3Å; I262-V300 HydrophobicContact CD1-CG2 3.54Å; I262-V300 HydrophobicContact CG1-CG2 4.24Å; L274-V300 HydrophobicContact CD2-CG2 3.93Å; V300-T302 HydrophobicContact CG1-CG2 4.01Å; V300-I311 HydrophobicContact CG1-CB 4.42Å; V300-I311 HydrophobicContact CG1-CD1 4.15Å; V300-I311 HydrophobicContact CG1-CG1 3.9Å; V300-I311 HydrophobicContact CG1-CG2 3.92Å
301	L	98.8	Very high	93.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	131.6	171.5	175.1	63.2	0	0	0	109.5	L257 S258 F259 I312 G313 F349 M352 L353	L257-L301 HydrophobicContact CB-CD1 4.4Å; S258-L301 CarbonylContact O-C 3.51Å; S258-L301 WeakPolarHBondContact O-CA 3.17Å; F259-L301 HydrophobicContact CD1-CB 4.3Å; F259-L301 HydrophobicContact CD2-CD1 3.91Å; F259-L301 HydrophobicContact CE1-CB 4Å; F259-L301 HydrophobicContact CE2-CB 4.45Å; F259-L301 HydrophobicContact CE2-CD1 3.67Å; F259-L301 HydrophobicContact CE2-CG 4.46Å; F259-L301 HydrophobicContact CZ-CB 4.09Å; F259-L301 HydrophobicContact CZ-CD1 4.11Å; F259-L301 HydrophobicContact CZ-CD2 4.41Å; F259-L301 HydrophobicContact CZ-CG 4.42Å; L301-I312 HydrophobicContact CD2-CB 4.3Å; L301-I312 HydrophobicContact CD2-CD1 4.3Å; L301-I312 HydrophobicContact CD2-CG2 3.97Å; L301-I312 HydrophobicContact CG-CB 4.13Å; L301-I312 HydrophobicContact CG-CD1 4.06Å; L301-I312 HydrophobicContact CG-CG2 4.36Å; L301-I312 PolarHBondContact O-N 2.84Å; L301-G313 PolarHBondContact N-O 3.49Å; L301-G313 PolarHBondContact O-N 2.97Å; L301-F349 HydrophobicContact CD2-CB 4.14Å; L301-F349 HydrophobicContact CD2-CD1 3.67Å; L301-F349 HydrophobicContact CD2-CE1 4.42Å; L301-F349 HydrophobicContact CD2-CG 4.21Å; L301-M352 HydrophobicContact CD1-CE 4.46Å; L301-M352 HydrophobicContact CD1-SD 4.32Å; L301-M352 HydrophobicContact CD2-SD 4.02Å; L301-L353 HydrophobicContact CB-CD2 3.7Å; L301-L353 HydrophobicContact CD2-CD2 4.15Å
302	T	98.6	Very high	95.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.3	179.8	61.6	0	0	0	0	112.2	P246 L257 S258 F260 V300 H310 I311	P246-T302 HydrophobicContact CG-CG2 3.56Å; L257-T302 WeakPolarHBondContact CA-O 3.39Å; S258-T302 PolarHBondContact N-O 3.11Å; S258-T302 VanDerWaalsContact N-O 3.07Å; S258-T302 PolarHBondContact O-N 3.19Å; S258-T302 PolarHBondContact O-OG1 2.88Å; F260-T302 HydrophobicContact CD2-CG2 4.07Å; F260-T302 HydrophobicContact CE2-CG2 4.16Å; F260-T302 WeakPolarHBondContact CE2-OG1 3.04Å; V300-T302 HydrophobicContact CG1-CG2 4.01Å; T302-H310 CarbonylContact C-O 3.49Å; T302-H310 WeakPolarHBondContact CA-O 3.4Å; T302-H310 WeakPolarHBondContact CB-O 3.24Å; T302-I311 HydrophobicContact CG2-CG1 4.41Å
303	E	97.5	Very high	95.9	Very high	58 Å²	58	29.7 Å²	29.7	27%	0.271	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125	165.4	-175.3	165.1	-131.9	0	0	108.6	N256 L257 S309 H310 I312	N256-E303 VanDerWaalsContact ND2-CG 3.33Å; N256-E303 WeakPolarHBondContact ND2-CG 3.26Å; N256-E303 PolarHBondContact ND2-OE1 2.98Å; N256-E303 CarbonylContact O-C 3.57Å; N256-E303 WeakPolarHBondContact O-CA 3.38Å; L257-E303 HydrophobicContact CD2-CB 4.29Å; E303-S309 CarbonylContact O-C 3.51Å; E303-H310 PolarHBondContact N-O 3.32Å; E303-H310 PolarHBondContact O-CD2 3.14Å; E303-H310 PolarHBondContact O-N 3.28Å; E303-I312 HydrophobicContact CB-CD1 3.78Å; E303-I312 HydrophobicContact CB-CG1 4.2Å
304	T	97.1	Very high	96.3	Very high	35 Å²	35	29.6 Å²	29.6	22%	0.215	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.8	-177.8	-47.5	0	0	0	0	110.8	R253 N256 G308 S309	R253-T304 PolarHBondContact NH1-OG1 3.47Å; N256-T304 PolarHBondContact O-N 2.85Å; T304-G308 CarbonylContact C-O 3.59Å; T304-G308 VanDerWaalsContact CA-O 3.26Å; T304-G308 WeakPolarHBondContact CA-O 3.28Å; T304-S309 PolarHBondContact OG1-OG 3.44Å
305	D	95.5	Very high	96.6	Very high	85 Å²	85	27.6 Å²	27.6	46%	0.455	15%	0.145	S	C	.	.			trans	-125.8	-156.8	167.3	69.2	20.7	0	0	0	110.7	D307 G308 H310	D305-D307 VanDerWaalsContact C-N 3.34Å; D305-D307 WeakPolarHBondContact OD1-CA 3.31Å; D305-D307 WeakPolarHBondContact OD1-CB 3.3Å; D305-D307 PolarHBondContact OD1-N 3.17Å; D305-G308 PolarHBondContact N-O 3.29Å; D305-G308 PolarHBondContact OD1-N 3.48Å; D305-H310 VanDerWaalsContact CG-NE2 3.3Å; D305-H310 IonicContact OD1-CD2 3.88Å; D305-H310 IonicContact OD1-NE2 2.9Å; D305-H310 PolarHBondContact OD1-NE2 2.95Å; D305-H310 IonicContact OD2-CD2 3.22Å; D305-H310 IonicContact OD2-NE2 3.38Å; D305-H310 PolarHBondContact OD2-NE2 3.42Å
306	Q	94.5	Very high	96.8	Very high	183 Å²	183	26.8 Å²	26.8	86%	0.855	14%	0.138	S	C	*	.	S	Bend	trans	-71.1	-25.2	179.5	67.5	-165.6	9.3	0	0	114.1
307	D	91.9	Very high	96.7	Very high	106 Å²	106	26.4 Å²	26.4	57%	0.567	14%	0.137	S	C	*	.	S	Bend	trans	-90.5	-28.8	-176.9	-66	-26	0	0	0	110.9	D305	D305-D307 VanDerWaalsContact C-N 3.34Å; D305-D307 WeakPolarHBondContact OD1-CA 3.31Å; D305-D307 WeakPolarHBondContact OD1-CB 3.3Å; D305-D307 PolarHBondContact OD1-N 3.17Å
308	G	95.6	Very high	96.5	Very high	9 Å²	9	27.5 Å²	27.5	9%	0.093	14%	0.141	C	C	.	.			trans	158.5	-159.5	173	0	0	0	0	0	113.7	T244 T304 D305 H310	T244-G308 CarbonylContact O-C 3.56Å; T244-G308 VanDerWaalsContact O-CA 3.3Å; T244-G308 WeakPolarHBondContact O-CA 3.36Å; T304-G308 CarbonylContact C-O 3.59Å; T304-G308 VanDerWaalsContact CA-O 3.26Å; T304-G308 WeakPolarHBondContact CA-O 3.28Å; D305-G308 PolarHBondContact N-O 3.29Å; D305-G308 PolarHBondContact OD1-N 3.48Å; G308-H310 PolarHBondContact O-CD2 3.37Å
309	S	97.7	Very high	96	Very high	10 Å²	10	28.8 Å²	28.8	7%	0.07	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	102.6	176.5	-62.4	0	0	0	0	110.6	T244 E303 T304	T244-S309 PolarHBondContact O-N 2.81Å; E303-S309 CarbonylContact O-C 3.51Å; T304-S309 PolarHBondContact OG1-OG 3.44Å
310	H	97.5	Very high	94.9	Very high	22 Å²	22	30.3 Å²	30.3	10%	0.102	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	130.4	-175.5	-54.1	-85.7	0	0	0	111.1	E222 F223 T302 E303 D305 G308 I312	E222-H310 IonicContact OE2-CE1 2.9Å; E222-H310 PolarHBondContact OE2-CE1 2.92Å; E222-H310 IonicContact OE2-ND1 2.63Å; E222-H310 PolarHBondContact OE2-ND1 3.46Å; F223-H310 AromaticContact CZ-CE1 3.89Å; T302-H310 CarbonylContact C-O 3.49Å; T302-H310 WeakPolarHBondContact CA-O 3.4Å; T302-H310 WeakPolarHBondContact CB-O 3.24Å; E303-H310 PolarHBondContact N-O 3.32Å; E303-H310 PolarHBondContact O-CD2 3.14Å; E303-H310 PolarHBondContact O-N 3.28Å; D305-H310 VanDerWaalsContact CG-NE2 3.3Å; D305-H310 IonicContact OD1-CD2 3.88Å; D305-H310 IonicContact OD1-NE2 2.9Å; D305-H310 PolarHBondContact OD1-NE2 2.95Å; D305-H310 IonicContact OD2-CD2 3.22Å; D305-H310 IonicContact OD2-NE2 3.38Å; D305-H310 PolarHBondContact OD2-NE2 3.42Å; G308-H310 PolarHBondContact O-CD2 3.37Å; H310-I312 PolarHBondContact O-N 3.11Å
311	I	98.2	Very high	93.4	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	125.5	-179.1	-57.1	-179.3	0	0	0	110.7	L225 Y270 V300 T302 L341 Y344	L225-I311 HydrophobicContact CD1-CD1 4.01Å; L225-I311 HydrophobicContact CD2-CD1 3.76Å; L225-I311 HydrophobicContact CG-CD1 4.32Å; Y270-I311 VanDerWaalsContact OH-CD1 3.29Å; Y270-I311 WeakPolarHBondContact OH-CD1 3.3Å; V300-I311 HydrophobicContact CG1-CB 4.42Å; V300-I311 HydrophobicContact CG1-CD1 4.15Å; V300-I311 HydrophobicContact CG1-CG1 3.9Å; V300-I311 HydrophobicContact CG1-CG2 3.92Å; T302-I311 HydrophobicContact CG2-CG1 4.41Å; I311-L341 HydrophobicContact CB-CD1 4.35Å; I311-L341 HydrophobicContact CG2-CD1 4.16Å; I311-L341 WeakPolarHBondContact O-CD1 3.45Å; I311-Y344 VanDerWaalsContact O-CE2 3.31Å; I311-Y344 WeakPolarHBondContact O-CE2 3.38Å
312	I	98.2	Very high	91.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-43.9	168.3	-73.6	165	0	0	0	109.9	L257 L301 E303 H310 I340 L341 Y344 F349	L257-I312 HydrophobicContact CD2-CD1 3.67Å; L301-I312 HydrophobicContact CD2-CB 4.3Å; L301-I312 HydrophobicContact CD2-CD1 4.3Å; L301-I312 HydrophobicContact CD2-CG2 3.97Å; L301-I312 HydrophobicContact CG-CB 4.13Å; L301-I312 HydrophobicContact CG-CD1 4.06Å; L301-I312 HydrophobicContact CG-CG2 4.36Å; L301-I312 PolarHBondContact O-N 2.84Å; E303-I312 HydrophobicContact CB-CD1 3.78Å; E303-I312 HydrophobicContact CB-CG1 4.2Å; H310-I312 PolarHBondContact O-N 3.11Å; I312-I340 HydrophobicContact CG2-CD1 4.5Å; I312-I340 HydrophobicContact CG2-CG2 4.44Å; I312-L341 PolarHBondContact O-N 3.03Å; I312-Y344 HydrophobicContact CB-CD2 4.43Å; I312-Y344 HydrophobicContact CB-CG 4.34Å; I312-Y344 HydrophobicContact CG1-CD1 4Å; I312-Y344 HydrophobicContact CG1-CD2 4.43Å; I312-Y344 HydrophobicContact CG1-CE1 4.19Å; I312-Y344 HydrophobicContact CG1-CG 4.13Å; I312-Y344 HydrophobicContact CG2-CG 4.12Å; I312-F349 HydrophobicContact CD1-CD1 4.21Å; I312-F349 HydrophobicContact CD1-CE1 3.68Å; I312-F349 HydrophobicContact CD1-CE2 4.16Å; I312-F349 HydrophobicContact CD1-CZ 3.65Å; I312-F349 HydrophobicContact CG1-CE2 4.49Å; I312-F349 HydrophobicContact CG1-CZ 4.44Å; I312-F349 HydrophobicContact CG2-CB 3.82Å; I312-F349 HydrophobicContact CG2-CD1 4.05Å; I312-F349 HydrophobicContact CG2-CD2 3.52Å; I312-F349 HydrophobicContact CG2-CE1 4.46Å; I312-F349 HydrophobicContact CG2-CE2 3.99Å; I312-F349 HydrophobicContact CG2-CG 3.55Å; I312-F349 HydrophobicContact CG2-CZ 4.43Å
313	G	97.9	Very high	89.5	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.5	178.1	-173.5	0	0	0	0	0	111.2	L301 L339	L301-G313 PolarHBondContact N-O 3.49Å; L301-G313 PolarHBondContact O-N 2.97Å; G313-L339 CarbonylContact C-O 3.42Å; G313-L339 WeakPolarHBondContact CA-O 3.38Å
314	Y	98.3	Very high	87.7	Confident	2 Å²	2	51 Å²	51	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	165.5	178	81.3	-77.7	0	0	0	110.9	L274 A278 K285 F298 Y299 I338 L339 L353	L274-Y314 HydrophobicContact CD1-CD1 3.76Å; L274-Y314 HydrophobicContact CD1-CE1 3.99Å; L274-Y314 HydrophobicContact CD1-CG 4.29Å; L274-Y314 HydrophobicContact CD2-CD1 4.08Å; L274-Y314 HydrophobicContact CD2-CD2 3.85Å; L274-Y314 HydrophobicContact CD2-CE1 4.41Å; L274-Y314 HydrophobicContact CD2-CE2 4.22Å; L274-Y314 HydrophobicContact CD2-CG 3.79Å; L274-Y314 HydrophobicContact CG-CD1 4.01Å; L274-Y314 HydrophobicContact CG-CD2 4.44Å; L274-Y314 HydrophobicContact CG-CE1 3.99Å; L274-Y314 HydrophobicContact CG-CE2 4.44Å; L274-Y314 HydrophobicContact CG-CG 4.24Å; A278-Y314 HydrophobicContact CB-CE1 3.56Å; A278-Y314 WeakPolarHBondContact CB-OH 3.37Å; K285-Y314 PolarHBondContact NZ-OH 3.38Å; F298-Y314 AromaticContact CD1-CD2 3.86Å; F298-Y314 HydrophobicContact CD1-CD2 3.86Å; F298-Y314 AromaticContact CD1-CE2 3.74Å; F298-Y314 HydrophobicContact CD1-CE2 3.74Å; F298-Y314 HydrophobicContact CE1-CE2 4.09Å; Y299-Y314 CarbonylContact O-C 3.56Å; Y299-Y314 WeakPolarHBondContact O-CA 3.16Å; Y299-Y314 WeakPolarHBondContact O-CB 3.39Å; Y314-I338 WeakPolarHBondContact O-CA 2.95Å; Y314-L339 HydrophobicContact CD1-CB 4.27Å; Y314-L339 HydrophobicContact CE1-CB 3.93Å; Y314-L339 HydrophobicContact CE1-CD2 4.41Å; Y314-L339 PolarHBondContact N-O 2.73Å; Y314-L339 PolarHBondContact O-N 3.34Å; Y314-L353 WeakPolarHBondContact O-CD1 3.19Å
315	F	97.3	Very high	86.1	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	155.2	157.4	72.2	-90.6	0	0	0	111.4	F259 Y299 L335 C337 I338 L353 M356 L360	F259-F315 HydrophobicContact CE1-CE1 4.28Å; Y299-F315 VanDerWaalsContact CB-CZ 3.47Å; Y299-F315 HydrophobicContact CD1-CZ 4.27Å; Y299-F315 AromaticContact CD2-CD2 3.94Å; Y299-F315 HydrophobicContact CD2-CD2 3.94Å; Y299-F315 HydrophobicContact CD2-CE1 4.21Å; Y299-F315 AromaticContact CD2-CE2 3.23Å; Y299-F315 HydrophobicContact CD2-CE2 3.23Å; Y299-F315 AromaticContact CD2-CZ 3.4Å; Y299-F315 HydrophobicContact CD2-CZ 3.4Å; Y299-F315 AromaticContact CE2-CE2 3.89Å; Y299-F315 HydrophobicContact CE2-CE2 3.89Å; Y299-F315 HydrophobicContact CE2-CZ 4.17Å; Y299-F315 AromaticContact CG-CE1 3.92Å; Y299-F315 HydrophobicContact CG-CE1 3.92Å; Y299-F315 AromaticContact CG-CE2 3.81Å; Y299-F315 HydrophobicContact CG-CE2 3.81Å; Y299-F315 AromaticContact CG-CZ 3.44Å; Y299-F315 HydrophobicContact CG-CZ 3.44Å; Y299-F315 VanDerWaalsContact CG-CZ 3.44Å; Y299-F315 PolarHBondContact N-O 3.02Å; Y299-F315 PolarHBondContact O-N 3.24Å; F315-L335 HydrophobicContact CB-CD1 3.53Å; F315-L335 HydrophobicContact CB-CG 3.89Å; F315-L335 HydrophobicContact CD1-CD1 4.44Å; F315-L335 HydrophobicContact CD2-CD1 3.94Å; F315-L335 HydrophobicContact CD2-CG 4.09Å; F315-L335 HydrophobicContact CG-CD1 3.73Å; F315-L335 HydrophobicContact CG-CG 4.24Å; F315-C337 CarbonylContact C-O 3.36Å; F315-C337 WeakPolarHBondContact CA-O 3.41Å; F315-C337 WeakPolarHBondContact CB-O 3.16Å; F315-I338 HydrophobicContact CB-CB 4.27Å; F315-I338 HydrophobicContact CB-CG1 4.46Å; F315-L353 HydrophobicContact CD1-CB 4.11Å; F315-L353 HydrophobicContact CD1-CD2 4.22Å; F315-L353 WeakPolarHBondContact CE1-O 3.31Å; F315-M356 HydrophobicContact CE1-CB 4.18Å; F315-M356 HydrophobicContact CE1-CG 4.13Å; F315-M356 HydrophobicContact CZ-CG 4.36Å; F315-L360 HydrophobicContact CZ-CD1 4.08Å
316	S	95.1	Very high	84.6	Confident	3 Å²	3	54 Å²	54	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	153.7	172	64.3	0	0	0	0	111.4	L297 S336 C337	L297-S316 CarbonylContact O-C 3.58Å; L297-S316 VanDerWaalsContact O-CA 3.26Å; L297-S316 WeakPolarHBondContact O-CA 3.48Å; S316-S336 PolarHBondContact O-N 2.88Å; S316-C337 PolarHBondContact N-O 3.03Å; S316-C337 VanDerWaalsContact OG-CB 3.26Å; S316-C337 WeakPolarHBondContact OG-CB 3.48Å; S316-C337 PolarHBondContact OG-N 3.21Å
317	K	91.8	Very high	83.5	Confident	5 Å²	5	48 Å²	48	2%	0.022	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	133.4	178.3	167.8	178.5	164.4	174.6	0	109	F296 L297 Y299 Y332 E364	F296-K317 CarbonylContact C-O 3.59Å; F296-K317 WeakPolarHBondContact CA-O 3.27Å; L297-K317 PolarHBondContact N-O 2.99Å; L297-K317 PolarHBondContact O-N 3.21Å; Y299-K317 HydrophobicContact CE2-CB 4.2Å; Y299-K317 HydrophobicContact CE2-CD 4.35Å; K317-Y332 HydrophobicContact CD-CE2 4.36Å; K317-Y332 PolarHBondContact NZ-OH 3.16Å; K317-E364 IonicContact NZ-OE1 3.57Å; K317-E364 PolarHBondContact NZ-OE1 2.76Å; K317-E364 IonicContact NZ-OE2 2.74Å; K317-E364 PolarHBondContact NZ-OE2 3.35Å
318	Q	89.9	Confident	82.7	Confident	53 Å²	53	48.1 Å²	48.1	25%	0.248	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	142.1	175.4	-167.4	174.9	7.2	0	0	111	F296 D322	F296-Q318 HydrophobicContact CD1-CB 4.18Å; F296-Q318 HydrophobicContact CE1-CB 3.92Å; F296-Q318 HydrophobicContact CE1-CG 4.42Å; Q318-D322 HydrophobicContact CG-CB 4.25Å; Q318-D322 VanDerWaalsContact NE2-CB 3.3Å; Q318-D322 PolarHBondContact NE2-OD2 3.44Å; Q318-D322 VanDerWaalsContact NE2-OD2 3.16Å
319	K	88	Confident	81.8	Confident	31 Å²	31	50.5 Å²	50.5	14%	0.135	26%	0.259	C	S	.	.			trans	-66.8	153.6	178.2	-71.5	174.1	177.5	176.6	0	112	D263 P294 A295 L297 D321 D322	D263-K319 VanDerWaalsContact OD1-CE 3.25Å; D263-K319 WeakPolarHBondContact OD1-CE 3.44Å; D263-K319 IonicContact OD1-NZ 2.73Å; D263-K319 PolarHBondContact OD1-NZ 2.8Å; D263-K319 IonicContact OD2-NZ 2.65Å; P294-K319 WeakPolarHBondContact O-CE 3.31Å; P294-K319 PolarHBondContact O-NZ 3.24Å; A295-K319 WeakPolarHBondContact O-CB 3.49Å; A295-K319 WeakPolarHBondContact O-CG 3.5Å; A295-K319 PolarHBondContact O-N 2.92Å; L297-K319 HydrophobicContact CG-CG 4.11Å; K319-D321 PolarHBondContact O-N 3.15Å; K319-D322 PolarHBondContact O-N 3.3Å
320	A	75.7	Confident	81.1	Confident	31 Å²	31	50.2 Å²	50.2	26%	0.256	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-69.6	-28.2	-175.2	0	0	0	0	0	114.1	D322 Q323	A320-D322 PolarHBondContact O-N 2.89Å; A320-D322 VanDerWaalsContact O-N 3.14Å; A320-Q323 WeakPolarHBondContact O-CA 3.4Å; A320-Q323 PolarHBondContact O-N 3.28Å
321	D	67.3	Low	80.5	Confident	113 Å²	113	53.5 Å²	53.5	60%	0.604	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-61.9	-23.2	179.7	-61.6	-32.9	0	0	0	112.5	K319	K319-D321 PolarHBondContact O-N 3.15Å
322	D	58.2	Low	80.2	Confident	91 Å²	91	53.9 Å²	53.9	49%	0.487	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-87.5	-9.1	173.6	-71.4	-20.8	0	0	0	113.4	Q318 K319 A320	Q318-D322 HydrophobicContact CG-CB 4.25Å; Q318-D322 VanDerWaalsContact NE2-CB 3.3Å; Q318-D322 PolarHBondContact NE2-OD2 3.44Å; Q318-D322 VanDerWaalsContact NE2-OD2 3.16Å; K319-D322 PolarHBondContact O-N 3.3Å; A320-D322 PolarHBondContact O-N 2.89Å; A320-D322 VanDerWaalsContact O-N 3.14Å
323	Q	57.5	Low	79.9	Confident	27 Å²	27	56.6 Å²	56.6	13%	0.126	30%	0.295	C	S	.	.	S	Bend	trans	-101.3	115.4	-177.1	-62.6	-172.1	6	0	0	110	A320 D325 Y332	A320-Q323 WeakPolarHBondContact O-CA 3.4Å; A320-Q323 PolarHBondContact O-N 3.28Å; Q323-D325 PolarHBondContact O-N 3.15Å; Q323-Y332 VanDerWaalsContact OE1-CB 3.28Å
324	R	57.7	Low	79.7	Confident	263 Å²	263	56.6 Å²	56.6	99%	0.992	29%	0.294	S	S	*	.	S	Bend	trans	-61.1	-13.6	-171	-66.9	-170.1	-68.5	-118.1	-0.5	115.6
325	D	64.4	Low	79.5	Confident	88 Å²	88	56.8 Å²	56.8	47%	0.471	30%	0.295	S	S	.	.			trans	-133.6	100.6	-173.3	-171.3	3.4	0	0	0	110.9	Q323 S327 A330	Q323-D325 PolarHBondContact O-N 3.15Å; D325-S327 VanDerWaalsContact C-N 3.35Å; D325-S327 WeakPolarHBondContact OD1-CB 3.06Å; D325-S327 PolarHBondContact OD1-N 2.92Å; D325-S327 PolarHBondContact OD1-OG 3.38Å; D325-S327 PolarHBondContact OD2-OG 3.46Å; D325-A330 HydrophobicContact CB-CB 4.39Å
326	N	63.9	Low	79.3	Confident	94 Å²	94	57.9 Å²	57.9	50%	0.503	30%	0.303	S	S	.	.			trans	-98.5	22.3	173.8	-71.3	-36.8	0	0	0	111.8
327	S	72.4	Confident	79.2	Confident	57 Å²	57	58.4 Å²	58.4	40%	0.399	31%	0.307	S	S	.	.			trans	-69.8	154	177.1	66.5	0	0	0	0	112.5	D325 N329 A330	D325-S327 VanDerWaalsContact C-N 3.35Å; D325-S327 WeakPolarHBondContact OD1-CB 3.06Å; D325-S327 PolarHBondContact OD1-N 2.92Å; D325-S327 PolarHBondContact OD1-OG 3.38Å; D325-S327 PolarHBondContact OD2-OG 3.46Å; S327-N329 PolarHBondContact O-N 3.06Å; S327-A330 WeakPolarHBondContact O-CB 3.42Å; S327-A330 PolarHBondContact O-N 3.44Å
328	V	74.4	Confident	79.3	Confident	108 Å²	108	60 Å²	60	66%	0.655	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	131.5	172.2	179.2	0	0	0	0	108.5	A330 Q365	V328-A330 VanDerWaalsContact C-N 3.26Å; V328-A330 PolarHBondContact O-N 2.71Å; V328-Q365 HydrophobicContact CG1-CB 4.38Å
329	N	76	Confident	79.5	Confident	59 Å²	59	57.9 Å²	57.9	32%	0.316	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	16.3	-173.3	-51.8	-50.9	0	0	0	115.7	S327 V331 Q365 I367 Q409	S327-N329 PolarHBondContact O-N 3.06Å; N329-V331 PolarHBondContact O-N 3.44Å; N329-Q365 PolarHBondContact N-O 2.62Å; N329-I367 HydrophobicContact CB-CD1 4.06Å; N329-Q409 PolarHBondContact ND2-NE2 2.98Å
330	A	83.2	Confident	79.9	Confident	5 Å²	5	57.3 Å²	57.3	4%	0.041	30%	0.304	C	S	.	.			trans	-59.7	137.5	168.2	0	0	0	0	0	110.5	D325 S327 V328 I367	D325-A330 HydrophobicContact CB-CB 4.39Å; S327-A330 WeakPolarHBondContact O-CB 3.42Å; S327-A330 PolarHBondContact O-N 3.44Å; V328-A330 VanDerWaalsContact C-N 3.26Å; V328-A330 PolarHBondContact O-N 2.71Å; A330-I367 PolarHBondContact O-N 3.3Å
331	V	86.2	Confident	80.9	Confident	91 Å²	91	56.1 Å²	56.1	55%	0.552	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	128	173.2	-179	0	0	0	0	108.7	N329 I367 T369 A414	N329-V331 PolarHBondContact O-N 3.44Å; V331-I367 CarbonylContact C-O 3.57Å; V331-I367 VanDerWaalsContact CA-O 3.31Å; V331-I367 WeakPolarHBondContact CA-O 3.29Å; V331-I367 HydrophobicContact CG2-CB 4.14Å; V331-I367 HydrophobicContact CG2-CG2 4.07Å; V331-T369 HydrophobicContact CG1-CG2 4.03Å; V331-A414 HydrophobicContact CG1-CB 3.95Å
332	Y	90.8	Very high	82.3	Confident	10 Å²	10	52.5 Å²	52.5	4%	0.039	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	162.6	-177.7	82.4	-73.4	0	0	0	113.5	K317 Q323 N334 S361 E364 R366 I367 T369	K317-Y332 HydrophobicContact CD-CE2 4.36Å; K317-Y332 PolarHBondContact NZ-OH 3.16Å; Q323-Y332 VanDerWaalsContact OE1-CB 3.28Å; Y332-N334 HydrophobicContact CE1-CB 4.35Å; Y332-N334 HydrophobicContact CE2-CB 3.79Å; Y332-N334 PolarHBondContact O-N 2.95Å; Y332-N334 VanDerWaalsContact O-N 3.15Å; Y332-S361 VanDerWaalsContact OH-CA 3.29Å; Y332-S361 WeakPolarHBondContact OH-CA 3.37Å; Y332-S361 WeakPolarHBondContact OH-CB 3.39Å; Y332-S361 PolarHBondContact OH-OG 3.44Å; Y332-E364 PolarHBondContact OH-OE2 3.36Å; Y332-R366 HydrophobicContact CD1-CB 3.54Å; Y332-R366 HydrophobicContact CD1-CG 4.38Å; Y332-R366 HydrophobicContact CE1-CB 3.3Å; Y332-R366 HydrophobicContact CE1-CG 4.33Å; Y332-I367 VanDerWaalsContact CD1-O 3.31Å; Y332-I367 WeakPolarHBondContact CD1-O 3.5Å; Y332-I367 PolarHBondContact N-O 3.27Å; Y332-T369 PolarHBondContact O-N 3.16Å
333	N	91.6	Very high	84	Confident	57 Å²	57	49.2 Å²	49.2	31%	0.305	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	102.3	175.2	-70.8	-8.9	0	0	0	109.8	T369	N333-T369 CarbonylContact C-O 3.57Å; N333-T369 VanDerWaalsContact CA-O 3.24Å; N333-T369 WeakPolarHBondContact CA-O 3.43Å
334	N	94.3	Very high	85.8	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-14.2	-179.8	71.8	-18.6	0	0	0	113.4	Y332 S357 S361 T369	Y332-N334 HydrophobicContact CE1-CB 4.35Å; Y332-N334 HydrophobicContact CE2-CB 3.79Å; Y332-N334 PolarHBondContact O-N 2.95Å; Y332-N334 VanDerWaalsContact O-N 3.15Å; N334-S357 PolarHBondContact ND2-O 3.37Å; N334-S357 PolarHBondContact ND2-OG 3.16Å; N334-S361 WeakPolarHBondContact CB-OG 3.31Å; N334-S361 PolarHBondContact ND2-OG 2.69Å; N334-T369 PolarHBondContact N-O 3.04Å; N334-T369 PolarHBondContact OD1-O 3.4Å; N334-T369 VanDerWaalsContact OD1-O 3.07Å
335	L	94.5	Very high	87.5	Confident	5 Å²	5	39.3 Å²	39.3	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	119.4	178.6	-170.5	146.9	0	0	0	109.8	F315 I338 E371 Y382	F315-L335 HydrophobicContact CB-CD1 3.53Å; F315-L335 HydrophobicContact CB-CG 3.89Å; F315-L335 HydrophobicContact CD1-CD1 4.44Å; F315-L335 HydrophobicContact CD2-CD1 3.94Å; F315-L335 HydrophobicContact CD2-CG 4.09Å; F315-L335 HydrophobicContact CG-CD1 3.73Å; F315-L335 HydrophobicContact CG-CG 4.24Å; L335-I338 HydrophobicContact CD1-CB 4.15Å; L335-I338 HydrophobicContact CD1-CD1 4.19Å; L335-I338 HydrophobicContact CD2-CB 3.78Å; L335-I338 HydrophobicContact CD2-CG2 3.83Å; L335-I338 HydrophobicContact CG-CB 4.45Å; L335-E371 WeakPolarHBondContact O-CB 3.45Å; L335-E371 PolarHBondContact O-N 3.4Å; L335-Y382 WeakPolarHBondContact CD1-OH 3.49Å
336	S	91.9	Very high	88.7	Confident	24 Å²	24	42 Å²	42	17%	0.168	25%	0.247	C	C	.	.	S	Bend	trans	-93.5	-52.6	176.7	-72.5	0	0	0	0	111.8	S316 E371	S316-S336 PolarHBondContact O-N 2.88Å; S336-E371 VanDerWaalsContact CA-OE2 3.31Å; S336-E371 WeakPolarHBondContact CA-OE2 3.35Å; S336-E371 WeakPolarHBondContact CB-OE2 3.18Å; S336-E371 PolarHBondContact OG-OE2 2.75Å
337	C	92.5	Very high	90.1	Very high	14 Å²	14	44 Å²	44	10%	0.095	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.5	-179.5	-169.7	0	0	0	0	109.5	L282 F315 S316	L282-C337 WeakPolarHBondContact CD1-SG 3.4Å; F315-C337 CarbonylContact C-O 3.36Å; F315-C337 WeakPolarHBondContact CA-O 3.41Å; F315-C337 WeakPolarHBondContact CB-O 3.16Å; S316-C337 PolarHBondContact N-O 3.03Å; S316-C337 VanDerWaalsContact OG-CB 3.26Å; S316-C337 WeakPolarHBondContact OG-CB 3.48Å; S316-C337 PolarHBondContact OG-N 3.21Å
338	I	94.3	Very high	91.1	Very high	37 Å²	37	43 Å²	43	19%	0.19	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	135.7	175	-179.2	169.6	0	0	0	109.7	Y314 F315 L335 L353 I354	Y314-I338 WeakPolarHBondContact O-CA 2.95Å; F315-I338 HydrophobicContact CB-CB 4.27Å; F315-I338 HydrophobicContact CB-CG1 4.46Å; L335-I338 HydrophobicContact CD1-CB 4.15Å; L335-I338 HydrophobicContact CD1-CD1 4.19Å; L335-I338 HydrophobicContact CD2-CB 3.78Å; L335-I338 HydrophobicContact CD2-CG2 3.83Å; L335-I338 HydrophobicContact CG-CB 4.45Å; I338-L353 HydrophobicContact CD1-CB 3.76Å; I338-L353 HydrophobicContact CD1-CD1 3.9Å; I338-L353 HydrophobicContact CD1-CG 4.47Å; I338-L353 HydrophobicContact CG1-CB 4.42Å; I338-L353 HydrophobicContact CG1-CD1 3.7Å; I338-I354 HydrophobicContact CD1-CD1 4.46Å; I338-I354 HydrophobicContact CD1-CG1 3.97Å
339	L	94.8	Very high	92.2	Very high	10 Å²	10	38 Å²	38	5%	0.052	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	135.7	172.7	179	65.2	0	0	0	110.9	A278 F281 L282 G313 Y314 L341	A278-L339 VanDerWaalsContact CA-CD2 3.43Å; A278-L339 HydrophobicContact CB-CD2 3.71Å; F281-L339 HydrophobicContact CB-CD1 3.76Å; F281-L339 HydrophobicContact CB-CD2 4.26Å; F281-L339 HydrophobicContact CD2-CD2 4.15Å; L282-L339 HydrophobicContact CD1-CB 4.3Å; L282-L339 HydrophobicContact CD2-CD1 4.08Å; L282-L339 HydrophobicContact CG-CD1 4.21Å; G313-L339 CarbonylContact C-O 3.42Å; G313-L339 WeakPolarHBondContact CA-O 3.38Å; Y314-L339 HydrophobicContact CD1-CB 4.27Å; Y314-L339 HydrophobicContact CE1-CB 3.93Å; Y314-L339 HydrophobicContact CE1-CD2 4.41Å; Y314-L339 PolarHBondContact N-O 2.73Å; Y314-L339 PolarHBondContact O-N 3.34Å; L339-L341 HydrophobicContact CD2-CD2 4.2Å
340	I	97.2	Very high	93.2	Very high	19 Å²	19	35.8 Å²	35.8	10%	0.097	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.6	159.9	-56.7	-60	0	0	0	107.3	I312 Q345 F349 L353	I312-I340 HydrophobicContact CG2-CD1 4.5Å; I312-I340 HydrophobicContact CG2-CG2 4.44Å; I340-Q345 HydrophobicContact CB-CG 4.05Å; I340-Q345 HydrophobicContact CG2-CG 3.88Å; I340-Q345 PolarHBondContact O-NE2 3.17Å; I340-F349 HydrophobicContact CD1-CB 3.76Å; I340-F349 HydrophobicContact CG1-CB 4.46Å; I340-L353 HydrophobicContact CD1-CD1 3.37Å; I340-L353 HydrophobicContact CD1-CG 3.94Å; I340-L353 HydrophobicContact CG1-CD1 4.41Å
341	L	96.2	Very high	93.8	Very high	6 Å²	6	37 Å²	37	3%	0.031	21%	0.21	C	C	.	.			trans	-59.9	142.9	178.5	-69.9	179.5	0	0	0	110	F195 L277 F281 I311 I312 L339 P343 Y344 Q345	F195-L341 HydrophobicContact CD1-CD1 4.39Å; F195-L341 HydrophobicContact CE1-CD1 3.85Å; F195-L341 HydrophobicContact CZ-CD1 4.31Å; L277-L341 HydrophobicContact CD2-CD2 4.29Å; L277-L341 HydrophobicContact CG-CD2 4.4Å; F281-L341 HydrophobicContact CD2-CD2 4.35Å; F281-L341 HydrophobicContact CE2-CD2 4.24Å; I311-L341 HydrophobicContact CB-CD1 4.35Å; I311-L341 HydrophobicContact CG2-CD1 4.16Å; I311-L341 WeakPolarHBondContact O-CD1 3.45Å; I312-L341 PolarHBondContact O-N 3.03Å; L339-L341 HydrophobicContact CD2-CD2 4.2Å; L341-P343 VanDerWaalsContact C-N 3.33Å; L341-P343 VanDerWaalsContact O-N 3.09Å; L341-Y344 HydrophobicContact CB-CD2 4.09Å; L341-Y344 PolarHBondContact O-N 3.47Å; L341-Q345 PolarHBondContact O-N 3.05Å
342	P	95.4	Very high	94.3	Very high	36 Å²	36	32.7 Å²	32.7	23%	0.234	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-48.3	-41.5	-171.3	-27.2	32.5	0	0	0	116	W203 F281 Y344 Q345	W203-P342 HydrophobicContact CZ2-CG 4.47Å; F281-P342 HydrophobicContact CD1-CG 3.59Å; F281-P342 HydrophobicContact CE1-CG 3.56Å; F281-P342 HydrophobicContact CG-CG 4.16Å; F281-P342 HydrophobicContact CZ-CG 4.09Å; P342-Y344 PolarHBondContact O-N 3.4Å; P342-Q345 PolarHBondContact O-N 2.87Å
343	P	94	Very high	94.7	Very high	23 Å²	23	32.2 Å²	32.2	15%	0.149	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-61.5	-25.9	179.9	-23.8	35.5	0	0	0	114.3	W198 L200 L341 R347	W198-P343 HydrophobicContact CB-CG 4.37Å; W198-P343 HydrophobicContact CD2-CB 3.88Å; W198-P343 HydrophobicContact CD2-CG 3.66Å; W198-P343 HydrophobicContact CE3-CB 4.15Å; W198-P343 HydrophobicContact CE3-CG 4.05Å; W198-P343 HydrophobicContact CG-CB 4.45Å; W198-P343 HydrophobicContact CG-CG 3.8Å; W198-P343 HydrophobicContact CH2-CB 4.17Å; W198-P343 HydrophobicContact CZ2-CB 3.89Å; W198-P343 HydrophobicContact CZ3-CB 4.29Å; L200-P343 HydrophobicContact CD2-CG 3.57Å; L341-P343 VanDerWaalsContact C-N 3.33Å; L341-P343 VanDerWaalsContact O-N 3.09Å; P343-R347 VanDerWaalsContact O-CZ 3.3Å; P343-R347 PolarHBondContact O-NE 3.2Å; P343-R347 PolarHBondContact O-NH2 3.47Å
344	Y	95.6	Very high	95	Very high	24 Å²	24	29.5 Å²	29.5	9%	0.094	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-102.8	-0.2	-173.8	-54.8	-78.3	0	0	0	113.7	I311 I312 L341 P342 F349	I311-Y344 VanDerWaalsContact O-CE2 3.31Å; I311-Y344 WeakPolarHBondContact O-CE2 3.38Å; I312-Y344 HydrophobicContact CB-CD2 4.43Å; I312-Y344 HydrophobicContact CB-CG 4.34Å; I312-Y344 HydrophobicContact CG1-CD1 4Å; I312-Y344 HydrophobicContact CG1-CD2 4.43Å; I312-Y344 HydrophobicContact CG1-CE1 4.19Å; I312-Y344 HydrophobicContact CG1-CG 4.13Å; I312-Y344 HydrophobicContact CG2-CG 4.12Å; L341-Y344 HydrophobicContact CB-CD2 4.09Å; L341-Y344 PolarHBondContact O-N 3.47Å; P342-Y344 PolarHBondContact O-N 3.4Å; Y344-F349 HydrophobicContact CD1-CE2 4.34Å; Y344-F349 WeakPolarHBondContact O-CD2 3.29Å
345	Q	93.4	Very high	95.1	Very high	58 Å²	58	30.4 Å²	30.4	27%	0.271	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	157.4	179.6	-68.9	-179.9	2.2	0	0	112.5	I340 L341 P342 R347	I340-Q345 HydrophobicContact CB-CG 4.05Å; I340-Q345 HydrophobicContact CG2-CG 3.88Å; I340-Q345 PolarHBondContact O-NE2 3.17Å; L341-Q345 PolarHBondContact O-N 3.05Å; P342-Q345 PolarHBondContact O-N 2.87Å; Q345-R347 WeakPolarHBondContact O-CG 3.41Å; Q345-R347 PolarHBondContact O-N 3.35Å
346	C	90.4	Very high	95.3	Very high	143 Å²	143	30.1 Å²	30.1	97%	0.966	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	20.3	-179.8	-56.9	0	0	0	0	115.5
347	R	93.3	Very high	95.6	Very high	137 Å²	137	29 Å²	29	52%	0.517	16%	0.163	S	C	.	.	S	Bend	trans	-112.5	14.4	178.8	-54.6	-176.7	-164.8	-161.5	5.8	114.8	P343 Q345 F349	P343-R347 VanDerWaalsContact O-CZ 3.3Å; P343-R347 PolarHBondContact O-NE 3.2Å; P343-R347 PolarHBondContact O-NH2 3.47Å; Q345-R347 WeakPolarHBondContact O-CG 3.41Å; Q345-R347 PolarHBondContact O-N 3.35Å; R347-F349 HydrophobicContact CB-CD2 3.93Å; R347-F349 HydrophobicContact CB-CE2 3.9Å
348	G	93.9	Very high	95.8	Very high	36 Å²	36	28.4 Å²	28.4	37%	0.371	16%	0.158	S	C	.	.	S	Bend	trans	90.5	-14.6	179.3	0	0	0	0	0	115.5	G350 R351 M352	G348-G350 VanDerWaalsContact C-N 3.27Å; G348-G350 PolarHBondContact O-N 2.99Å; G348-R351 WeakPolarHBondContact O-CB 3.44Å; G348-R351 PolarHBondContact O-N 3.13Å; G348-M352 PolarHBondContact O-N 2.82Å
349	F	97.1	Very high	95.9	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-59	-32.3	-177.8	-62.6	-57.8	0	0	0	114.8	L257 L301 I312 I340 Y344 R347 R351 M352 L353 R458	L257-F349 HydrophobicContact CD1-CE1 4.13Å; L257-F349 HydrophobicContact CD2-CE1 4.09Å; L301-F349 HydrophobicContact CD2-CB 4.14Å; L301-F349 HydrophobicContact CD2-CD1 3.67Å; L301-F349 HydrophobicContact CD2-CE1 4.42Å; L301-F349 HydrophobicContact CD2-CG 4.21Å; I312-F349 HydrophobicContact CD1-CD1 4.21Å; I312-F349 HydrophobicContact CD1-CE1 3.68Å; I312-F349 HydrophobicContact CD1-CE2 4.16Å; I312-F349 HydrophobicContact CD1-CZ 3.65Å; I312-F349 HydrophobicContact CG1-CE2 4.49Å; I312-F349 HydrophobicContact CG1-CZ 4.44Å; I312-F349 HydrophobicContact CG2-CB 3.82Å; I312-F349 HydrophobicContact CG2-CD1 4.05Å; I312-F349 HydrophobicContact CG2-CD2 3.52Å; I312-F349 HydrophobicContact CG2-CE1 4.46Å; I312-F349 HydrophobicContact CG2-CE2 3.99Å; I312-F349 HydrophobicContact CG2-CG 3.55Å; I312-F349 HydrophobicContact CG2-CZ 4.43Å; I340-F349 HydrophobicContact CD1-CB 3.76Å; I340-F349 HydrophobicContact CG1-CB 4.46Å; Y344-F349 HydrophobicContact CD1-CE2 4.34Å; Y344-F349 WeakPolarHBondContact O-CD2 3.29Å; R347-F349 HydrophobicContact CB-CD2 3.93Å; R347-F349 HydrophobicContact CB-CE2 3.9Å; F349-R351 VanDerWaalsContact C-N 3.3Å; F349-R351 PolarHBondContact O-N 3.47Å; F349-M352 HydrophobicContact CD1-SD 4.29Å; F349-M352 WeakPolarHBondContact O-CB 3.22Å; F349-M352 PolarHBondContact O-N 3.21Å; F349-M352 VanDerWaalsContact O-N 3.17Å; F349-L353 WeakPolarHBondContact O-CG 3.5Å; F349-L353 PolarHBondContact O-N 3.1Å; F349-R458 VanDerWaalsContact CE1-CD 3.5Å; F349-R458 VanDerWaalsContact CE1-NE 3.27Å
350	G	96	Very high	96	Very high	11 Å²	11	27 Å²	27	11%	0.113	15%	0.151	C	C	.	.	H	α-helix	trans	-62.6	-37.2	175	0	0	0	0	0	112.7	G348 M352 I354 I381	G348-G350 VanDerWaalsContact C-N 3.27Å; G348-G350 PolarHBondContact O-N 2.99Å; G350-M352 VanDerWaalsContact C-N 3.34Å; G350-I354 WeakPolarHBondContact O-CG1 3.14Å; G350-I354 PolarHBondContact O-N 3.49Å; G350-I381 VanDerWaalsContact CA-CD1 3.43Å
351	R	95.8	Very high	95.8	Very high	32 Å²	32	26 Å²	26	12%	0.121	15%	0.146	C	C	.	.	H	α-helix	trans	-66.7	-42.5	174.3	-175.8	-173.2	170.8	-78.8	-6.3	109.4	G348 F349 L353 I354 E355 Y385 E389	G348-R351 WeakPolarHBondContact O-CB 3.44Å; G348-R351 PolarHBondContact O-N 3.13Å; F349-R351 VanDerWaalsContact C-N 3.3Å; F349-R351 PolarHBondContact O-N 3.47Å; R351-L353 VanDerWaalsContact C-N 3.35Å; R351-L353 PolarHBondContact O-N 3.29Å; R351-I354 PolarHBondContact O-N 3.45Å; R351-E355 IonicContact CZ-OE1 2.96Å; R351-E355 IonicContact CZ-OE2 2.99Å; R351-E355 IonicContact NH1-OE1 3.07Å; R351-E355 PolarHBondContact NH1-OE1 2.85Å; R351-E355 IonicContact NH1-OE2 2.59Å; R351-E355 PolarHBondContact NH1-OE2 2.87Å; R351-E355 IonicContact NH2-OE1 3.97Å; R351-E355 PolarHBondContact NH2-OE1 3.31Å; R351-E355 WeakPolarHBondContact O-CB 3.37Å; R351-E355 PolarHBondContact O-N 3.35Å; R351-Y385 HydrophobicContact CG-CD2 3.93Å; R351-E389 IonicContact CZ-OE1 2.69Å; R351-E389 IonicContact NH2-OE1 2.75Å; R351-E389 PolarHBondContact NH2-OE1 3.49Å
352	M	97.7	Very high	95.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.4	-41.8	179.4	-166.7	178.4	-171.7	0	0	112.4	Y252 L257 F259 L301 G348 F349 G350 E355 M356 I460	Y252-M352 HydrophobicContact CE1-CE 4.01Å; L257-M352 HydrophobicContact CB-CE 4.5Å; L257-M352 HydrophobicContact CD1-CE 3.8Å; L257-M352 HydrophobicContact CD1-SD 4.01Å; F259-M352 HydrophobicContact CE2-CE 4.13Å; F259-M352 HydrophobicContact CE2-CG 4.26Å; F259-M352 HydrophobicContact CZ-CG 4.37Å; L301-M352 HydrophobicContact CD1-CE 4.46Å; L301-M352 HydrophobicContact CD1-SD 4.32Å; L301-M352 HydrophobicContact CD2-SD 4.02Å; G348-M352 PolarHBondContact O-N 2.82Å; F349-M352 HydrophobicContact CD1-SD 4.29Å; F349-M352 WeakPolarHBondContact O-CB 3.22Å; F349-M352 PolarHBondContact O-N 3.21Å; F349-M352 VanDerWaalsContact O-N 3.17Å; G350-M352 VanDerWaalsContact C-N 3.34Å; M352-E355 PolarHBondContact O-N 3.2Å; M352-M356 WeakPolarHBondContact O-CB 3.41Å; M352-M356 PolarHBondContact O-N 3.32Å; M352-I460 HydrophobicContact CE-CD1 3.6Å; M352-I460 HydrophobicContact CG-CD1 3.45Å; M352-I460 VanDerWaalsContact CG-CD1 3.45Å; M352-I460 HydrophobicContact CG-CG1 4.23Å; M352-I460 HydrophobicContact SD-CD1 4.39Å
353	L	98.2	Very high	95.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.2	-42.9	174.6	-67.1	-172.3	0	0	0	112.4	F259 L301 Y314 F315 I338 I340 F349 R351 M356 S357	F259-L353 HydrophobicContact CE1-CD2 3.42Å; F259-L353 VanDerWaalsContact CE1-CD2 3.42Å; F259-L353 HydrophobicContact CZ-CD2 3.69Å; L301-L353 HydrophobicContact CB-CD2 3.7Å; L301-L353 HydrophobicContact CD2-CD2 4.15Å; Y314-L353 WeakPolarHBondContact O-CD1 3.19Å; F315-L353 HydrophobicContact CD1-CB 4.11Å; F315-L353 HydrophobicContact CD1-CD2 4.22Å; F315-L353 WeakPolarHBondContact CE1-O 3.31Å; I338-L353 HydrophobicContact CD1-CB 3.76Å; I338-L353 HydrophobicContact CD1-CD1 3.9Å; I338-L353 HydrophobicContact CD1-CG 4.47Å; I338-L353 HydrophobicContact CG1-CB 4.42Å; I338-L353 HydrophobicContact CG1-CD1 3.7Å; I340-L353 HydrophobicContact CD1-CD1 3.37Å; I340-L353 HydrophobicContact CD1-CG 3.94Å; I340-L353 HydrophobicContact CG1-CD1 4.41Å; F349-L353 WeakPolarHBondContact O-CG 3.5Å; F349-L353 PolarHBondContact O-N 3.1Å; R351-L353 VanDerWaalsContact C-N 3.35Å; R351-L353 PolarHBondContact O-N 3.29Å; L353-M356 PolarHBondContact O-N 3.39Å; L353-S357 PolarHBondContact O-N 3.44Å
354	I	98	Very high	95.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.8	-42	177.8	-68.5	170.9	0	0	0	110.9	I338 G350 R351 M356 S357 Y358 I381 Y382 Y385	I338-I354 HydrophobicContact CD1-CD1 4.46Å; I338-I354 HydrophobicContact CD1-CG1 3.97Å; G350-I354 WeakPolarHBondContact O-CG1 3.14Å; G350-I354 PolarHBondContact O-N 3.49Å; R351-I354 PolarHBondContact O-N 3.45Å; I354-M356 VanDerWaalsContact C-N 3.31Å; I354-M356 PolarHBondContact O-N 2.83Å; I354-S357 PolarHBondContact O-N 3.23Å; I354-S357 PolarHBondContact O-OG 3.45Å; I354-Y358 HydrophobicContact CG2-CD2 3.79Å; I354-Y358 HydrophobicContact CG2-CE2 3.79Å; I354-Y358 VanDerWaalsContact O-CD2 3.31Å; I354-Y358 WeakPolarHBondContact O-CD2 3.46Å; I354-Y358 PolarHBondContact O-N 3.36Å; I354-Y358 VanDerWaalsContact O-N 3.1Å; I354-I381 HydrophobicContact CD1-CB 4.24Å; I354-I381 HydrophobicContact CD1-CD1 4.13Å; I354-I381 HydrophobicContact CD1-CG1 3.88Å; I354-I381 HydrophobicContact CD1-CG2 3.53Å; I354-Y382 HydrophobicContact CD1-CD1 4.23Å; I354-Y382 HydrophobicContact CD1-CD2 4.04Å; I354-Y382 HydrophobicContact CD1-CE1 4.1Å; I354-Y382 HydrophobicContact CD1-CE2 3.89Å; I354-Y382 HydrophobicContact CD1-CG 4.2Å; I354-Y382 HydrophobicContact CG1-CE1 4.13Å; I354-Y382 HydrophobicContact CG1-CE2 4.27Å; I354-Y382 HydrophobicContact CG2-CD1 4.1Å; I354-Y382 HydrophobicContact CG2-CE1 3.69Å; I354-Y385 HydrophobicContact CG2-CD1 3.64Å; I354-Y385 HydrophobicContact CG2-CD2 4.03Å; I354-Y385 HydrophobicContact CG2-CE1 3.96Å; I354-Y385 HydrophobicContact CG2-CE2 4.29Å; I354-Y385 HydrophobicContact CG2-CG 3.69Å
355	E	97.9	Very high	95.3	Very high	19 Å²	19	36.9 Å²	36.9	9%	0.089	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-43.8	176.3	-174.9	169.5	-123.6	0	0	110.9	R351 M352 S357 Y358 I359 Y385 C459 I460	R351-E355 IonicContact CZ-OE1 2.96Å; R351-E355 IonicContact CZ-OE2 2.99Å; R351-E355 IonicContact NH1-OE1 3.07Å; R351-E355 PolarHBondContact NH1-OE1 2.85Å; R351-E355 IonicContact NH1-OE2 2.59Å; R351-E355 PolarHBondContact NH1-OE2 2.87Å; R351-E355 IonicContact NH2-OE1 3.97Å; R351-E355 PolarHBondContact NH2-OE1 3.31Å; R351-E355 WeakPolarHBondContact O-CB 3.37Å; R351-E355 PolarHBondContact O-N 3.35Å; M352-E355 PolarHBondContact O-N 3.2Å; E355-S357 PolarHBondContact O-N 3.38Å; E355-Y358 PolarHBondContact O-N 2.77Å; E355-I359 HydrophobicContact CG-CD1 3.92Å; E355-I359 VanDerWaalsContact O-CG1 3.29Å; E355-I359 WeakPolarHBondContact O-CG1 3.47Å; E355-I359 PolarHBondContact O-N 3.19Å; E355-Y385 HydrophobicContact CB-CE2 3.83Å; E355-Y385 HydrophobicContact CG-CE2 4.28Å; E355-C459 VanDerWaalsContact OE2-CA 3.31Å; E355-C459 WeakPolarHBondContact OE2-CA 3.34Å; E355-I460 HydrophobicContact CB-CG1 4.23Å; E355-I460 HydrophobicContact CG-CB 4.27Å; E355-I460 HydrophobicContact CG-CG1 4.02Å; E355-I460 PolarHBondContact OE2-N 3.13Å
356	M	98.2	Very high	95.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.9	-46.4	173.9	-175.6	60.8	85.2	0	0	111.5	Y252 F259 F315 M352 L353 I354 Y358 I359 L360 I460 L465	Y252-M356 HydrophobicContact CD2-CE 4.2Å; Y252-M356 HydrophobicContact CG-CE 4Å; F259-M356 HydrophobicContact CB-CE 4.23Å; F259-M356 HydrophobicContact CD1-CE 4.29Å; F259-M356 HydrophobicContact CD1-CG 4.15Å; F259-M356 HydrophobicContact CD2-CE 3.38Å; F259-M356 HydrophobicContact CE1-CB 4Å; F259-M356 HydrophobicContact CE1-CE 4.48Å; F259-M356 HydrophobicContact CE1-CG 3.91Å; F259-M356 HydrophobicContact CE2-CB 4.42Å; F259-M356 HydrophobicContact CE2-CE 3.63Å; F259-M356 HydrophobicContact CE2-CG 4.48Å; F259-M356 HydrophobicContact CG-CE 3.73Å; F259-M356 HydrophobicContact CZ-CB 3.83Å; F259-M356 HydrophobicContact CZ-CE 4.18Å; F259-M356 HydrophobicContact CZ-CG 4.08Å; F315-M356 HydrophobicContact CE1-CB 4.18Å; F315-M356 HydrophobicContact CE1-CG 4.13Å; F315-M356 HydrophobicContact CZ-CG 4.36Å; M352-M356 WeakPolarHBondContact O-CB 3.41Å; M352-M356 PolarHBondContact O-N 3.32Å; L353-M356 PolarHBondContact O-N 3.39Å; I354-M356 VanDerWaalsContact C-N 3.31Å; I354-M356 PolarHBondContact O-N 2.83Å; M356-Y358 VanDerWaalsContact C-N 3.31Å; M356-Y358 PolarHBondContact O-N 2.89Å; M356-I359 PolarHBondContact O-N 3Å; M356-L360 HydrophobicContact CG-CD1 4.21Å; M356-L360 HydrophobicContact CG-CG 4.44Å; M356-L360 VanDerWaalsContact O-CG 3.32Å; M356-L360 WeakPolarHBondContact O-CG 3.3Å; M356-L360 PolarHBondContact O-N 3.23Å; M356-L360 HydrophobicContact SD-CG 4.3Å; M356-I460 HydrophobicContact CB-CD1 4.35Å; M356-I460 HydrophobicContact CB-CG1 4.26Å; M356-I460 HydrophobicContact CE-CD1 3.75Å; M356-I460 HydrophobicContact CE-CG1 4.29Å; M356-I460 HydrophobicContact CE-CG2 4.03Å; M356-I460 HydrophobicContact SD-CG2 4.46Å; M356-L465 HydrophobicContact CE-CD1 4.08Å; M356-L465 HydrophobicContact SD-CD1 4.02Å
357	S	97.4	Very high	95.4	Very high	1 Å²	1	29 Å²	29	1%	0.007	14%	0.139	C	C	.	.	H	α-helix	trans	-61.2	-38.3	-179.6	74.2	0	0	0	0	112.7	N334 L353 I354 E355 S361	N334-S357 PolarHBondContact ND2-O 3.37Å; N334-S357 PolarHBondContact ND2-OG 3.16Å; L353-S357 PolarHBondContact O-N 3.44Å; I354-S357 PolarHBondContact O-N 3.23Å; I354-S357 PolarHBondContact O-OG 3.45Å; E355-S357 PolarHBondContact O-N 3.38Å; S357-S361 PolarHBondContact O-N 3.02Å; S357-S361 VanDerWaalsContact O-N 3.08Å; S357-S361 PolarHBondContact O-OG 3.31Å
358	Y	97.7	Very high	95.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-73.6	-34.4	175	-81.9	-69.4	0	0	0	113.9	I354 E355 M356 S361 R362 G368 Y382 Y385 W386 G412 I413	I354-Y358 HydrophobicContact CG2-CD2 3.79Å; I354-Y358 HydrophobicContact CG2-CE2 3.79Å; I354-Y358 VanDerWaalsContact O-CD2 3.31Å; I354-Y358 WeakPolarHBondContact O-CD2 3.46Å; I354-Y358 PolarHBondContact O-N 3.36Å; I354-Y358 VanDerWaalsContact O-N 3.1Å; E355-Y358 PolarHBondContact O-N 2.77Å; M356-Y358 VanDerWaalsContact C-N 3.31Å; M356-Y358 PolarHBondContact O-N 2.89Å; Y358-S361 PolarHBondContact O-N 3.18Å; Y358-R362 WeakPolarHBondContact O-CG 3.28Å; Y358-R362 PolarHBondContact O-N 2.75Å; Y358-G368 WeakPolarHBondContact CE1-O 3.27Å; Y358-Y382 HydrophobicContact CE2-CD1 4.45Å; Y358-Y382 AromaticContact CE2-CE1 3.98Å; Y358-Y382 HydrophobicContact CE2-CE1 3.98Å; Y358-Y385 WeakPolarHBondContact CB-OH 3.08Å; Y358-Y385 HydrophobicContact CD2-CD1 4.03Å; Y358-Y385 AromaticContact CD2-CE1 3.21Å; Y358-Y385 HydrophobicContact CD2-CE1 3.21Å; Y358-Y385 AromaticContact CD2-CZ 3.71Å; Y358-Y385 AromaticContact CE2-CD1 3.93Å; Y358-Y385 HydrophobicContact CE2-CD1 3.93Å; Y358-Y385 AromaticContact CE2-CE1 3.52Å; Y358-Y385 HydrophobicContact CE2-CE1 3.52Å; Y358-Y385 AromaticContact CG-CE1 3.98Å; Y358-Y385 HydrophobicContact CG-CE1 3.98Å; Y358-W386 AromaticContact CE2-NE1 3.72Å; Y358-W386 AromaticContact CZ-NE1 3.5Å; Y358-W386 PolarHBondContact OH-NE1 3.4Å; Y358-G412 VanDerWaalsContact CD1-O 3.26Å; Y358-G412 WeakPolarHBondContact CD1-O 3.37Å; Y358-G412 VanDerWaalsContact CE1-O 3.28Å; Y358-G412 WeakPolarHBondContact CE1-O 3.46Å; Y358-I413 HydrophobicContact CD1-CG1 4.03Å; Y358-I413 HydrophobicContact CE1-CB 4.27Å; Y358-I413 HydrophobicContact CE1-CG1 3.69Å
359	I	96.7	Very high	95.5	Very high	16 Å²	16	21.2 Å²	21.2	8%	0.082	10%	0.099	C	C	.	.	H	α-helix	trans	-61.3	-47	172.3	-73	166.2	0	0	0	110	E355 M356 S361 R362 L363 I460 L465	E355-I359 HydrophobicContact CG-CD1 3.92Å; E355-I359 VanDerWaalsContact O-CG1 3.29Å; E355-I359 WeakPolarHBondContact O-CG1 3.47Å; E355-I359 PolarHBondContact O-N 3.19Å; M356-I359 PolarHBondContact O-N 3Å; I359-S361 VanDerWaalsContact C-N 3.33Å; I359-S361 PolarHBondContact O-N 3.46Å; I359-R362 VanDerWaalsContact CG1-NH2 3.28Å; I359-R362 PolarHBondContact O-N 3.05Å; I359-L363 HydrophobicContact CG2-CD1 4.13Å; I359-L363 HydrophobicContact CG2-CG 4.47Å; I359-L363 WeakPolarHBondContact O-CG 3.31Å; I359-L363 PolarHBondContact O-N 3.27Å; I359-I460 HydrophobicContact CD1-CB 3.46Å; I359-I460 VanDerWaalsContact CD1-CB 3.46Å; I359-I460 HydrophobicContact CD1-CG1 4.06Å; I359-I460 HydrophobicContact CD1-CG2 3.42Å; I359-I460 VanDerWaalsContact CD1-CG2 3.42Å; I359-L465 HydrophobicContact CG2-CD2 3.55Å
360	L	95.4	Very high	95.4	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-60.3	-42.2	176.3	-64.3	173.8	0	0	0	111.6	Y299 F315 M356 R362 L363 E364 W467	Y299-L360 HydrophobicContact CD1-CD1 3.86Å; Y299-L360 HydrophobicContact CD2-CD1 4.5Å; Y299-L360 HydrophobicContact CE1-CD1 3.43Å; Y299-L360 VanDerWaalsContact CE1-CD1 3.43Å; Y299-L360 HydrophobicContact CE2-CD1 4.12Å; Y299-L360 HydrophobicContact CG-CD1 4.37Å; F315-L360 HydrophobicContact CZ-CD1 4.08Å; M356-L360 HydrophobicContact CG-CD1 4.21Å; M356-L360 HydrophobicContact CG-CG 4.44Å; M356-L360 VanDerWaalsContact O-CG 3.32Å; M356-L360 WeakPolarHBondContact O-CG 3.3Å; M356-L360 PolarHBondContact O-N 3.23Å; M356-L360 HydrophobicContact SD-CG 4.3Å; L360-R362 VanDerWaalsContact C-N 3.33Å; L360-R362 PolarHBondContact O-N 3.04Å; L360-L363 PolarHBondContact O-N 3.26Å; L360-E364 VanDerWaalsContact O-CG 3.28Å; L360-E364 WeakPolarHBondContact O-CG 3.49Å; L360-E364 PolarHBondContact O-N 3.21Å; L360-W467 HydrophobicContact CD2-CD2 3.53Å; L360-W467 HydrophobicContact CD2-CE3 3.67Å; L360-W467 HydrophobicContact CD2-CG 3.94Å; L360-W467 HydrophobicContact CD2-CH2 4.31Å; L360-W467 HydrophobicContact CD2-CZ2 4.22Å; L360-W467 HydrophobicContact CD2-CZ3 4.06Å
361	S	94.2	Very high	95	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.3	-44	174.4	-58.6	0	0	0	0	112.9	Y332 N334 S357 Y358 I359 E364 Q365 R366	Y332-S361 VanDerWaalsContact OH-CA 3.29Å; Y332-S361 WeakPolarHBondContact OH-CA 3.37Å; Y332-S361 WeakPolarHBondContact OH-CB 3.39Å; Y332-S361 PolarHBondContact OH-OG 3.44Å; N334-S361 WeakPolarHBondContact CB-OG 3.31Å; N334-S361 PolarHBondContact ND2-OG 2.69Å; S357-S361 PolarHBondContact O-N 3.02Å; S357-S361 VanDerWaalsContact O-N 3.08Å; S357-S361 PolarHBondContact O-OG 3.31Å; Y358-S361 PolarHBondContact O-N 3.18Å; I359-S361 VanDerWaalsContact C-N 3.33Å; I359-S361 PolarHBondContact O-N 3.46Å; S361-E364 CarbonylContact O-C 3.55Å; S361-E364 PolarHBondContact O-N 3.19Å; S361-Q365 PolarHBondContact O-N 2.95Å; S361-R366 CarbonylContact C-O 3.43Å; S361-R366 PolarHBondContact O-N 2.82Å; S361-R366 VanDerWaalsContact O-O 3.04Å
362	R	94.2	Very high	94.5	Very high	86 Å²	86	28.5 Å²	28.5	33%	0.325	13%	0.127	S	C	.	.	H	α-helix	trans	-66.9	-40.4	178	-72.1	-177.5	-68.2	-177	-2.2	112.5	Y358 I359 L360 E364 Q365 E410	Y358-R362 WeakPolarHBondContact O-CG 3.28Å; Y358-R362 PolarHBondContact O-N 2.75Å; I359-R362 VanDerWaalsContact CG1-NH2 3.28Å; I359-R362 PolarHBondContact O-N 3.05Å; L360-R362 VanDerWaalsContact C-N 3.33Å; L360-R362 PolarHBondContact O-N 3.04Å; R362-E364 PolarHBondContact O-N 3.49Å; R362-Q365 PolarHBondContact O-N 3.27Å; R362-Q365 PolarHBondContact O-NE2 3Å; R362-E410 VanDerWaalsContact CD-O 3.28Å; R362-E410 WeakPolarHBondContact CD-O 2.95Å
363	L	92.9	Very high	94	Very high	75 Å²	75	33.4 Å²	33.4	39%	0.393	16%	0.159	S	C	.	.	H	α-helix	trans	-63.3	-32.1	174.8	-69.1	176.3	0	0	0	112.1	I359 L360 Q365 L465 W467 P469	I359-L363 HydrophobicContact CG2-CD1 4.13Å; I359-L363 HydrophobicContact CG2-CG 4.47Å; I359-L363 WeakPolarHBondContact O-CG 3.31Å; I359-L363 PolarHBondContact O-N 3.27Å; L360-L363 PolarHBondContact O-N 3.26Å; L363-Q365 VanDerWaalsContact C-N 3.27Å; L363-Q365 PolarHBondContact O-N 3.5Å; L363-L465 HydrophobicContact CD1-CD2 3.55Å; L363-W467 HydrophobicContact CB-CE3 4.15Å; L363-W467 HydrophobicContact CB-CZ3 3.82Å; L363-W467 HydrophobicContact CD1-CE3 3.88Å; L363-W467 HydrophobicContact CD1-CZ3 4.38Å; L363-P469 WeakPolarHBondContact O-CG 3.38Å
364	E	90.9	Very high	93.3	Very high	37 Å²	37	35.5 Å²	35.5	17%	0.173	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.2	172.8	-67.7	174	155.9	0	0	114.2	K317 Y332 L360 S361 R362 R366 W467 P469	K317-E364 IonicContact NZ-OE1 3.57Å; K317-E364 PolarHBondContact NZ-OE1 2.76Å; K317-E364 IonicContact NZ-OE2 2.74Å; K317-E364 PolarHBondContact NZ-OE2 3.35Å; Y332-E364 PolarHBondContact OH-OE2 3.36Å; L360-E364 VanDerWaalsContact O-CG 3.28Å; L360-E364 WeakPolarHBondContact O-CG 3.49Å; L360-E364 PolarHBondContact O-N 3.21Å; S361-E364 CarbonylContact O-C 3.55Å; S361-E364 PolarHBondContact O-N 3.19Å; R362-E364 PolarHBondContact O-N 3.49Å; E364-R366 VanDerWaalsContact C-N 3.25Å; E364-R366 HydrophobicContact CB-CB 4.48Å; E364-R366 HydrophobicContact CB-CG 4.38Å; E364-R366 VanDerWaalsContact CD-NH2 3.25Å; E364-R366 PolarHBondContact O-N 3.41Å; E364-R366 IonicContact OE1-NH2 3.53Å; E364-R366 PolarHBondContact OE1-NH2 2.92Å; E364-R366 IonicContact OE2-CZ 3.43Å; E364-R366 IonicContact OE2-NE 2.64Å; E364-R366 PolarHBondContact OE2-NE 2.62Å; E364-R366 IonicContact OE2-NH2 3.99Å; E364-R366 PolarHBondContact OE2-NH2 2.96Å; E364-W467 HydrophobicContact CG-CH2 3.55Å; E364-W467 HydrophobicContact CG-CZ3 4.01Å; E364-P469 HydrophobicContact CG-CB 4.17Å; E364-P469 HydrophobicContact CG-CG 4.27Å
365	Q	91.4	Very high	92.6	Very high	119 Å²	119	39 Å²	39	56%	0.556	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	38.2	-174.1	-55.4	-62.4	-37.1	0	0	113.1	V328 N329 S361 R362 L363	V328-Q365 HydrophobicContact CG1-CB 4.38Å; N329-Q365 PolarHBondContact N-O 2.62Å; S361-Q365 PolarHBondContact O-N 2.95Å; R362-Q365 PolarHBondContact O-N 3.27Å; R362-Q365 PolarHBondContact O-NE2 3Å; L363-Q365 VanDerWaalsContact C-N 3.27Å; L363-Q365 PolarHBondContact O-N 3.5Å
366	R	91.6	Very high	91.9	Very high	21 Å²	21	44.6 Å²	44.6	8%	0.079	22%	0.224	C	C	.	.			trans	-125.8	158.2	178.9	-67.3	-167.4	-64.6	177.1	-3.6	111.6	Y332 S361 E364	Y332-R366 HydrophobicContact CD1-CB 3.54Å; Y332-R366 HydrophobicContact CD1-CG 4.38Å; Y332-R366 HydrophobicContact CE1-CB 3.3Å; Y332-R366 HydrophobicContact CE1-CG 4.33Å; S361-R366 CarbonylContact C-O 3.43Å; S361-R366 PolarHBondContact O-N 2.82Å; S361-R366 VanDerWaalsContact O-O 3.04Å; E364-R366 VanDerWaalsContact C-N 3.25Å; E364-R366 HydrophobicContact CB-CB 4.48Å; E364-R366 HydrophobicContact CB-CG 4.38Å; E364-R366 VanDerWaalsContact CD-NH2 3.25Å; E364-R366 PolarHBondContact O-N 3.41Å; E364-R366 IonicContact OE1-NH2 3.53Å; E364-R366 PolarHBondContact OE1-NH2 2.92Å; E364-R366 IonicContact OE2-CZ 3.43Å; E364-R366 IonicContact OE2-NE 2.64Å; E364-R366 PolarHBondContact OE2-NE 2.62Å; E364-R366 IonicContact OE2-NH2 3.99Å; E364-R366 PolarHBondContact OE2-NH2 2.96Å
367	I	94.7	Very high	91.3	Very high	13 Å²	13	50 Å²	50	7%	0.067	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	116.2	-178.7	-63.8	173	0	0	0	108.8	N329 A330 V331 Y332 Q409 A414	N329-I367 HydrophobicContact CB-CD1 4.06Å; A330-I367 PolarHBondContact O-N 3.3Å; V331-I367 CarbonylContact C-O 3.57Å; V331-I367 VanDerWaalsContact CA-O 3.31Å; V331-I367 WeakPolarHBondContact CA-O 3.29Å; V331-I367 HydrophobicContact CG2-CB 4.14Å; V331-I367 HydrophobicContact CG2-CG2 4.07Å; Y332-I367 VanDerWaalsContact CD1-O 3.31Å; Y332-I367 WeakPolarHBondContact CD1-O 3.5Å; Y332-I367 PolarHBondContact N-O 3.27Å; I367-Q409 HydrophobicContact CD1-CG 4.34Å; I367-A414 VanDerWaalsContact CG2-CA 3.4Å; I367-A414 HydrophobicContact CG2-CB 4.01Å
368	G	94.5	Very high	90.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	142.7	-177.7	0	0	0	0	0	113.4	Y358 G412 A414	Y358-G368 WeakPolarHBondContact CE1-O 3.27Å; G368-G412 PolarHBondContact N-O 3.2Å; G368-A414 PolarHBondContact O-N 3.13Å
369	T	95.3	Very high	90.4	Very high	10 Å²	10	53.1 Å²	53.1	6%	0.061	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	149.6	164.2	-168	0	0	0	0	108.8	V331 Y332 N333 N334 R372 D417	V331-T369 HydrophobicContact CG1-CG2 4.03Å; Y332-T369 PolarHBondContact O-N 3.16Å; N333-T369 CarbonylContact C-O 3.57Å; N333-T369 VanDerWaalsContact CA-O 3.24Å; N333-T369 WeakPolarHBondContact CA-O 3.43Å; N334-T369 PolarHBondContact N-O 3.04Å; N334-T369 PolarHBondContact OD1-O 3.4Å; N334-T369 VanDerWaalsContact OD1-O 3.07Å; T369-R372 PolarHBondContact OG1-NH1 3.15Å; T369-R372 PolarHBondContact OG1-NH2 3.03Å; T369-D417 PolarHBondContact OG1-OD2 2.98Å
370	P	94.2	Very high	90.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	154.1	173.8	28.9	-35.1	0	0	0	112.4	R372 L374 Y382 W386	P370-R372 PolarHBondContact O-NH1 2.99Å; P370-L374 HydrophobicContact CB-CD2 3.84Å; P370-L374 HydrophobicContact CG-CD1 4.35Å; P370-L374 HydrophobicContact CG-CD2 4.01Å; P370-Y382 HydrophobicContact CB-CD2 4.46Å; P370-Y382 HydrophobicContact CB-CE1 3.94Å; P370-Y382 HydrophobicContact CB-CE2 3.79Å; P370-Y382 HydrophobicContact CG-CD1 4.08Å; P370-Y382 HydrophobicContact CG-CD2 4.34Å; P370-Y382 HydrophobicContact CG-CE1 3.84Å; P370-Y382 HydrophobicContact CG-CE2 4.12Å; P370-Y382 HydrophobicContact CG-CG 4.33Å; P370-W386 HydrophobicContact CG-CH2 4.21Å; P370-W386 HydrophobicContact CG-CZ2 3.97Å
371	E	88.8	Confident	90	Very high	75 Å²	75	60 Å²	60	35%	0.35	31%	0.305	S	S	.	.			trans	-62.1	145.7	167.7	-167.7	172.4	145.2	0	0	111.2	L335 S336	L335-E371 WeakPolarHBondContact O-CB 3.45Å; L335-E371 PolarHBondContact O-N 3.4Å; S336-E371 VanDerWaalsContact CA-OE2 3.31Å; S336-E371 WeakPolarHBondContact CA-OE2 3.35Å; S336-E371 WeakPolarHBondContact CB-OE2 3.18Å; S336-E371 PolarHBondContact OG-OE2 2.75Å
372	R	84.7	Confident	90.1	Very high	126 Å²	126	60.1 Å²	60.1	48%	0.475	31%	0.306	S	S	.	.	S	Bend	trans	-121.7	148.9	-176.9	-70.9	177	-175.7	74.2	-6.9	110.4	T369 P370 D417	T369-R372 PolarHBondContact OG1-NH1 3.15Å; T369-R372 PolarHBondContact OG1-NH2 3.03Å; P370-R372 PolarHBondContact O-NH1 2.99Å; R372-D417 IonicContact CZ-OD1 2.76Å; R372-D417 VanDerWaalsContact NH2-CG 3.3Å; R372-D417 IonicContact NH2-OD1 2.92Å; R372-D417 PolarHBondContact NH2-OD1 3.13Å; R372-D417 IonicContact NH2-OD2 3.21Å; R372-D417 PolarHBondContact NH2-OD2 3.48Å
373	P	86.7	Confident	90.1	Very high	103 Å²	103	61.7 Å²	61.7	67%	0.669	31%	0.312	S	S	*	.	S	Bend	cis	-78	144.4	4.6	31.5	-35.2	0	0	0	113.5
374	L	83.1	Confident	90.1	Very high	44 Å²	44	64 Å²	64	23%	0.23	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-73.9	143.2	172.3	-68.6	175.1	0	0	0	110.4	P370 I379 Y382	P370-L374 HydrophobicContact CB-CD2 3.84Å; P370-L374 HydrophobicContact CG-CD1 4.35Å; P370-L374 HydrophobicContact CG-CD2 4.01Å; L374-I379 HydrophobicContact CB-CD1 4.49Å; L374-I379 HydrophobicContact CB-CG1 3.62Å; L374-I379 HydrophobicContact CD1-CG1 4.23Å; L374-Y382 HydrophobicContact CD1-CD2 4.16Å; L374-Y382 HydrophobicContact CD1-CG 4.49Å; L374-Y382 HydrophobicContact CD2-CD2 3.88Å; L374-Y382 HydrophobicContact CD2-CE2 3.95Å
375	S	84.2	Confident	90.4	Very high	74 Å²	74	62.5 Å²	62.5	52%	0.517	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-67	160.9	167.2	68.2	0	0	0	0	111.3	L377 G378 I379	S375-L377 PolarHBondContact O-N 2.91Å; S375-G378 CarbonylContact O-C 3.57Å; S375-G378 VanDerWaalsContact O-CA 3.28Å; S375-G378 WeakPolarHBondContact O-CA 3.22Å; S375-G378 PolarHBondContact O-N 3.16Å; S375-G378 PolarHBondContact OG-N 3.23Å; S375-G378 VanDerWaalsContact OG-N 3.07Å; S375-I379 WeakPolarHBondContact O-CG1 3.47Å; S375-I379 PolarHBondContact O-N 2.93Å
376	D	83	Confident	90.7	Very high	135 Å²	135	57.4 Å²	57.4	72%	0.722	28%	0.284	S	S	*	.	H	α-helix	trans	-52.8	-43.6	177.3	-61	-20.3	0	0	0	112.2	I379 I380	D376-I379 PolarHBondContact O-N 3.37Å; D376-I380 WeakPolarHBondContact O-CG1 3.5Å; D376-I380 PolarHBondContact O-N 3.04Å
377	L	86.2	Confident	90.9	Very high	115 Å²	115	59.4 Å²	59.4	60%	0.602	29%	0.291	S	S	*	.	H	α-helix	trans	-66.9	-38.5	175.2	-65.3	179.1	0	0	0	111.8	S375 I380 I381	S375-L377 PolarHBondContact O-N 2.91Å; L377-I380 PolarHBondContact O-N 3.08Å; L377-I381 WeakPolarHBondContact O-CG2 3.17Å; L377-I381 PolarHBondContact O-N 3.16Å; L377-I381 VanDerWaalsContact O-N 3.1Å
378	G	88.1	Confident	91	Very high	5 Å²	5	60 Å²	60	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-57.5	-48.8	173.3	0	0	0	0	0	112.4	S375 I380 I381 Y382	S375-G378 CarbonylContact O-C 3.57Å; S375-G378 VanDerWaalsContact O-CA 3.28Å; S375-G378 WeakPolarHBondContact O-CA 3.22Å; S375-G378 PolarHBondContact O-N 3.16Å; S375-G378 PolarHBondContact OG-N 3.23Å; S375-G378 VanDerWaalsContact OG-N 3.07Å; G378-I380 VanDerWaalsContact C-N 3.33Å; G378-I380 PolarHBondContact O-N 2.9Å; G378-I381 VanDerWaalsContact O-CG2 3.27Å; G378-I381 WeakPolarHBondContact O-CG2 3.42Å; G378-I381 PolarHBondContact O-N 3.23Å; G378-Y382 WeakPolarHBondContact O-CB 3.41Å; G378-Y382 WeakPolarHBondContact O-CD2 3.4Å; G378-Y382 PolarHBondContact O-N 2.88Å
379	I	88.5	Confident	91.1	Very high	60 Å²	60	60.9 Å²	60.9	31%	0.308	30%	0.297	S	S	.	.	H	α-helix	trans	-58.3	-46.5	178.3	-65.6	169.9	0	0	0	110.6	L374 S375 D376 I381 R383	L374-I379 HydrophobicContact CB-CD1 4.49Å; L374-I379 HydrophobicContact CB-CG1 3.62Å; L374-I379 HydrophobicContact CD1-CG1 4.23Å; S375-I379 WeakPolarHBondContact O-CG1 3.47Å; S375-I379 PolarHBondContact O-N 2.93Å; D376-I379 PolarHBondContact O-N 3.37Å; I379-I381 PolarHBondContact O-N 3.22Å; I379-R383 HydrophobicContact CG2-CG 4.35Å; I379-R383 VanDerWaalsContact O-CB 3.25Å; I379-R383 WeakPolarHBondContact O-CB 3.36Å; I379-R383 VanDerWaalsContact O-CG 3.27Å; I379-R383 WeakPolarHBondContact O-CG 3.45Å; I379-R383 PolarHBondContact O-N 3.24Å
380	I	90.4	Very high	91.1	Very high	116 Å²	116	60.4 Å²	60.4	60%	0.595	29%	0.294	S	S	*	.	H	α-helix	trans	-60.7	-46.1	-179	-68.2	166.2	0	0	0	110.9	D376 L377 G378 R384	D376-I380 WeakPolarHBondContact O-CG1 3.5Å; D376-I380 PolarHBondContact O-N 3.04Å; L377-I380 PolarHBondContact O-N 3.08Å; G378-I380 VanDerWaalsContact C-N 3.33Å; G378-I380 PolarHBondContact O-N 2.9Å; I380-R384 WeakPolarHBondContact O-CB 3.47Å; I380-R384 PolarHBondContact O-N 3.33Å; I380-R384 VanDerWaalsContact O-N 3.15Å
381	I	93.1	Very high	91.2	Very high	47 Å²	47	60.5 Å²	60.5	24%	0.241	30%	0.295	C	S	.	.	H	α-helix	trans	-74.9	-40.5	-174.7	-161.6	169.2	0	0	0	112.8	G350 I354 L377 G378 I379 R384 Y385	G350-I381 VanDerWaalsContact CA-CD1 3.43Å; I354-I381 HydrophobicContact CD1-CB 4.24Å; I354-I381 HydrophobicContact CD1-CD1 4.13Å; I354-I381 HydrophobicContact CD1-CG1 3.88Å; I354-I381 HydrophobicContact CD1-CG2 3.53Å; L377-I381 WeakPolarHBondContact O-CG2 3.17Å; L377-I381 PolarHBondContact O-N 3.16Å; L377-I381 VanDerWaalsContact O-N 3.1Å; G378-I381 VanDerWaalsContact O-CG2 3.27Å; G378-I381 WeakPolarHBondContact O-CG2 3.42Å; G378-I381 PolarHBondContact O-N 3.23Å; I379-I381 PolarHBondContact O-N 3.22Å; I381-R384 PolarHBondContact O-N 3.02Å; I381-Y385 WeakPolarHBondContact O-CB 3.45Å; I381-Y385 PolarHBondContact O-N 3.2Å
382	Y	95.5	Very high	91.4	Very high	1 Å²	1	62.4 Å²	62.4	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-65.6	-45.2	176.1	-88.3	-75.9	0	0	0	111.6	L335 I354 Y358 P370 L374 G378 R384 Y385 W386	L335-Y382 WeakPolarHBondContact CD1-OH 3.49Å; I354-Y382 HydrophobicContact CD1-CD1 4.23Å; I354-Y382 HydrophobicContact CD1-CD2 4.04Å; I354-Y382 HydrophobicContact CD1-CE1 4.1Å; I354-Y382 HydrophobicContact CD1-CE2 3.89Å; I354-Y382 HydrophobicContact CD1-CG 4.2Å; I354-Y382 HydrophobicContact CG1-CE1 4.13Å; I354-Y382 HydrophobicContact CG1-CE2 4.27Å; I354-Y382 HydrophobicContact CG2-CD1 4.1Å; I354-Y382 HydrophobicContact CG2-CE1 3.69Å; Y358-Y382 HydrophobicContact CE2-CD1 4.45Å; Y358-Y382 AromaticContact CE2-CE1 3.98Å; Y358-Y382 HydrophobicContact CE2-CE1 3.98Å; P370-Y382 HydrophobicContact CB-CD2 4.46Å; P370-Y382 HydrophobicContact CB-CE1 3.94Å; P370-Y382 HydrophobicContact CB-CE2 3.79Å; P370-Y382 HydrophobicContact CG-CD1 4.08Å; P370-Y382 HydrophobicContact CG-CD2 4.34Å; P370-Y382 HydrophobicContact CG-CE1 3.84Å; P370-Y382 HydrophobicContact CG-CE2 4.12Å; P370-Y382 HydrophobicContact CG-CG 4.33Å; L374-Y382 HydrophobicContact CD1-CD2 4.16Å; L374-Y382 HydrophobicContact CD1-CG 4.49Å; L374-Y382 HydrophobicContact CD2-CD2 3.88Å; L374-Y382 HydrophobicContact CD2-CE2 3.95Å; G378-Y382 WeakPolarHBondContact O-CB 3.41Å; G378-Y382 WeakPolarHBondContact O-CD2 3.4Å; G378-Y382 PolarHBondContact O-N 2.88Å; Y382-R384 VanDerWaalsContact C-N 3.27Å; Y382-R384 PolarHBondContact O-N 3.48Å; Y382-Y385 PolarHBondContact O-N 2.89Å; Y382-Y385 VanDerWaalsContact O-N 3.14Å; Y382-W386 AromaticContact CD1-CE2 3.72Å; Y382-W386 HydrophobicContact CD1-CH2 4.32Å; Y382-W386 AromaticContact CD1-CZ2 3.56Å; Y382-W386 HydrophobicContact CD1-CZ2 3.56Å; Y382-W386 AromaticContact CD1-NE1 3.88Å; Y382-W386 HydrophobicContact CE1-CZ2 4.34Å; Y382-W386 HydrophobicContact CG-CH2 4.44Å; Y382-W386 HydrophobicContact CG-CZ2 4.1Å; Y382-W386 PolarHBondContact O-N 3.09Å
383	R	94.2	Very high	91.9	Very high	120 Å²	120	57.4 Å²	57.4	45%	0.453	28%	0.284	S	S	.	.	H	α-helix	trans	-58	-41.1	175.1	-78.1	-177.5	167.8	177.5	-6.1	111.9	I379 R387	I379-R383 HydrophobicContact CG2-CG 4.35Å; I379-R383 VanDerWaalsContact O-CB 3.25Å; I379-R383 WeakPolarHBondContact O-CB 3.36Å; I379-R383 VanDerWaalsContact O-CG 3.27Å; I379-R383 WeakPolarHBondContact O-CG 3.45Å; I379-R383 PolarHBondContact O-N 3.24Å; R383-R387 WeakPolarHBondContact O-CB 3.42Å; R383-R387 VanDerWaalsContact O-CG 3.23Å; R383-R387 WeakPolarHBondContact O-CG 3.47Å; R383-R387 PolarHBondContact O-N 2.9Å; R383-R387 VanDerWaalsContact O-N 3.08Å
384	R	93.7	Very high	92.2	Very high	123 Å²	123	52.5 Å²	52.5	46%	0.464	25%	0.252	S	S	.	.	H	α-helix	trans	-66.2	-43.3	176.6	-177	172.4	179.7	159.1	-0.3	111.9	I380 I381 Y382 F388 K452	I380-R384 WeakPolarHBondContact O-CB 3.47Å; I380-R384 PolarHBondContact O-N 3.33Å; I380-R384 VanDerWaalsContact O-N 3.15Å; I381-R384 PolarHBondContact O-N 3.02Å; Y382-R384 VanDerWaalsContact C-N 3.27Å; Y382-R384 PolarHBondContact O-N 3.48Å; R384-F388 WeakPolarHBondContact O-CB 3.42Å; R384-F388 PolarHBondContact O-N 2.65Å; R384-K452 PolarHBondContact NH2-O 3.21Å
385	Y	96.5	Very high	92.6	Very high	5 Å²	5	52.3 Å²	52.3	2%	0.02	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-53.9	178.6	177.5	-96.2	0	0	0	111.4	R351 I354 E355 Y358 I381 Y382 R387 F388 E389	R351-Y385 HydrophobicContact CG-CD2 3.93Å; I354-Y385 HydrophobicContact CG2-CD1 3.64Å; I354-Y385 HydrophobicContact CG2-CD2 4.03Å; I354-Y385 HydrophobicContact CG2-CE1 3.96Å; I354-Y385 HydrophobicContact CG2-CE2 4.29Å; I354-Y385 HydrophobicContact CG2-CG 3.69Å; E355-Y385 HydrophobicContact CB-CE2 3.83Å; E355-Y385 HydrophobicContact CG-CE2 4.28Å; Y358-Y385 WeakPolarHBondContact CB-OH 3.08Å; Y358-Y385 HydrophobicContact CD2-CD1 4.03Å; Y358-Y385 AromaticContact CD2-CE1 3.21Å; Y358-Y385 HydrophobicContact CD2-CE1 3.21Å; Y358-Y385 AromaticContact CD2-CZ 3.71Å; Y358-Y385 AromaticContact CE2-CD1 3.93Å; Y358-Y385 HydrophobicContact CE2-CD1 3.93Å; Y358-Y385 AromaticContact CE2-CE1 3.52Å; Y358-Y385 HydrophobicContact CE2-CE1 3.52Å; Y358-Y385 AromaticContact CG-CE1 3.98Å; Y358-Y385 HydrophobicContact CG-CE1 3.98Å; I381-Y385 WeakPolarHBondContact O-CB 3.45Å; I381-Y385 PolarHBondContact O-N 3.2Å; Y382-Y385 PolarHBondContact O-N 2.89Å; Y382-Y385 VanDerWaalsContact O-N 3.14Å; Y385-R387 PolarHBondContact O-N 3.21Å; Y385-F388 PolarHBondContact O-N 3.2Å; Y385-E389 HydrophobicContact CD1-CG 4.37Å; Y385-E389 HydrophobicContact CD2-CG 4.37Å; Y385-E389 HydrophobicContact CE1-CG 3.93Å; Y385-E389 HydrophobicContact CE2-CG 3.95Å; Y385-E389 PolarHBondContact O-N 3.38Å
386	W	97.5	Very high	92.9	Very high	12 Å²	12	52.9 Å²	52.9	5%	0.045	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-44.5	-179.6	-62.5	-31.2	0	0	0	113	Y358 P370 Y382 F388 E389 I390 D417 T421	Y358-W386 AromaticContact CE2-NE1 3.72Å; Y358-W386 AromaticContact CZ-NE1 3.5Å; Y358-W386 PolarHBondContact OH-NE1 3.4Å; P370-W386 HydrophobicContact CG-CH2 4.21Å; P370-W386 HydrophobicContact CG-CZ2 3.97Å; Y382-W386 AromaticContact CD1-CE2 3.72Å; Y382-W386 HydrophobicContact CD1-CH2 4.32Å; Y382-W386 AromaticContact CD1-CZ2 3.56Å; Y382-W386 HydrophobicContact CD1-CZ2 3.56Å; Y382-W386 AromaticContact CD1-NE1 3.88Å; Y382-W386 HydrophobicContact CE1-CZ2 4.34Å; Y382-W386 HydrophobicContact CG-CH2 4.44Å; Y382-W386 HydrophobicContact CG-CZ2 4.1Å; Y382-W386 PolarHBondContact O-N 3.09Å; W386-F388 VanDerWaalsContact C-N 3.27Å; W386-F388 PolarHBondContact O-N 3.2Å; W386-E389 PolarHBondContact O-N 3.37Å; W386-I390 HydrophobicContact CB-CD1 4.29Å; W386-I390 VanDerWaalsContact O-CB 3.29Å; W386-I390 WeakPolarHBondContact O-CB 3.39Å; W386-I390 WeakPolarHBondContact O-CD1 3.49Å; W386-I390 VanDerWaalsContact O-CG1 3.24Å; W386-I390 WeakPolarHBondContact O-CG1 3.14Å; W386-I390 PolarHBondContact O-N 3.37Å; W386-D417 HydrophobicContact CD2-CB 4.2Å; W386-D417 HydrophobicContact CE3-CB 4.18Å; W386-D417 HydrophobicContact CH2-CB 3.81Å; W386-D417 WeakPolarHBondContact CH2-OD1 3.34Å; W386-D417 HydrophobicContact CZ2-CB 3.81Å; W386-D417 HydrophobicContact CZ3-CB 4Å; W386-T421 HydrophobicContact CB-CG2 4.14Å
387	R	96.1	Very high	93.2	Very high	63 Å²	63	48.2 Å²	48.2	24%	0.238	23%	0.231	C	C	.	.	H	α-helix	trans	-56.7	-45.1	176.7	-75.7	-167.6	-162.5	107	-11.7	111	R383 Y385 L391 T421 D424 M425 I451	R383-R387 WeakPolarHBondContact O-CB 3.42Å; R383-R387 VanDerWaalsContact O-CG 3.23Å; R383-R387 WeakPolarHBondContact O-CG 3.47Å; R383-R387 PolarHBondContact O-N 2.9Å; R383-R387 VanDerWaalsContact O-N 3.08Å; Y385-R387 PolarHBondContact O-N 3.21Å; R387-L391 VanDerWaalsContact O-CB 3.27Å; R387-L391 WeakPolarHBondContact O-CB 3.44Å; R387-L391 WeakPolarHBondContact O-CD1 3.39Å; R387-L391 WeakPolarHBondContact O-CG 3.41Å; R387-L391 PolarHBondContact O-N 3.36Å; R387-T421 HydrophobicContact CB-CG2 4.25Å; R387-T421 HydrophobicContact CG-CG2 3.48Å; R387-T421 VanDerWaalsContact CG-CG2 3.48Å; R387-D424 IonicContact CZ-OD2 3.07Å; R387-D424 IonicContact NE-OD2 2.81Å; R387-D424 PolarHBondContact NE-OD2 3.37Å; R387-D424 IonicContact NH2-OD1 3.13Å; R387-D424 PolarHBondContact NH2-OD1 3.19Å; R387-D424 VanDerWaalsContact NH2-OD1 3.07Å; R387-D424 IonicContact NH2-OD2 2.68Å; R387-D424 PolarHBondContact NH2-OD2 3.31Å; R387-M425 HydrophobicContact CB-SD 4.03Å; R387-M425 HydrophobicContact CG-CG 4.07Å; R387-M425 HydrophobicContact CG-SD 3.67Å; R387-I451 HydrophobicContact CB-CD1 3.95Å
388	F	96.1	Very high	93.2	Very high	27 Å²	27	49.3 Å²	49.3	12%	0.118	24%	0.243	C	C	.	.	H	α-helix	trans	-64.4	-49.4	179.6	-176.9	-94.1	0	0	0	112.2	R384 Y385 W386 K392 L448 I451 P453 P454	R384-F388 WeakPolarHBondContact O-CB 3.42Å; R384-F388 PolarHBondContact O-N 2.65Å; Y385-F388 PolarHBondContact O-N 3.2Å; W386-F388 VanDerWaalsContact C-N 3.27Å; W386-F388 PolarHBondContact O-N 3.2Å; F388-K392 HydrophobicContact CE1-CD 4.32Å; F388-K392 VanDerWaalsContact O-CB 3.23Å; F388-K392 WeakPolarHBondContact O-CB 3.41Å; F388-K392 PolarHBondContact O-N 3.06Å; F388-L448 HydrophobicContact CD2-CD1 3.87Å; F388-L448 HydrophobicContact CE2-CD1 3.93Å; F388-I451 HydrophobicContact CB-CG2 4.48Å; F388-I451 HydrophobicContact CD2-CG2 4.07Å; F388-P453 HydrophobicContact CE2-CB 4.39Å; F388-P454 HydrophobicContact CE1-CG 3.98Å; F388-P454 HydrophobicContact CZ-CG 3.95Å
389	E	96.5	Very high	93	Very high	17 Å²	17	51.7 Å²	51.7	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-65.8	-39.7	-179.1	-63.8	-52.6	135.1	0	0	112.4	R351 Y385 W386 Y393 I413	R351-E389 IonicContact CZ-OE1 2.69Å; R351-E389 IonicContact NH2-OE1 2.75Å; R351-E389 PolarHBondContact NH2-OE1 3.49Å; Y385-E389 HydrophobicContact CD1-CG 4.37Å; Y385-E389 HydrophobicContact CD2-CG 4.37Å; Y385-E389 HydrophobicContact CE1-CG 3.93Å; Y385-E389 HydrophobicContact CE2-CG 3.95Å; Y385-E389 PolarHBondContact O-N 3.38Å; W386-E389 PolarHBondContact O-N 3.37Å; E389-Y393 WeakPolarHBondContact O-CB 3.21Å; E389-Y393 PolarHBondContact O-N 3.26Å; E389-I413 HydrophobicContact CB-CD1 4.41Å
390	I	96	Very high	92.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.4	-45.7	178.2	-68.2	166.3	0	0	0	111	W386 K392 Y393 L394 M407 L411 I418 T421 L422 M425	W386-I390 HydrophobicContact CB-CD1 4.29Å; W386-I390 VanDerWaalsContact O-CB 3.29Å; W386-I390 WeakPolarHBondContact O-CB 3.39Å; W386-I390 WeakPolarHBondContact O-CD1 3.49Å; W386-I390 VanDerWaalsContact O-CG1 3.24Å; W386-I390 WeakPolarHBondContact O-CG1 3.14Å; W386-I390 PolarHBondContact O-N 3.37Å; I390-K392 VanDerWaalsContact C-N 3.33Å; I390-K392 PolarHBondContact O-N 3.38Å; I390-Y393 WeakPolarHBondContact O-CB 3.34Å; I390-Y393 PolarHBondContact O-N 3.29Å; I390-L394 HydrophobicContact CG2-CD1 3.99Å; I390-L394 HydrophobicContact CG2-CG 4.37Å; I390-L394 WeakPolarHBondContact O-CB 3.35Å; I390-L394 VanDerWaalsContact O-CG 3.32Å; I390-L394 WeakPolarHBondContact O-CG 3.43Å; I390-L394 PolarHBondContact O-N 3.46Å; I390-M407 HydrophobicContact CG2-SD 4.38Å; I390-L411 HydrophobicContact CG1-CD1 4.1Å; I390-I418 HydrophobicContact CD1-CB 4.31Å; I390-I418 HydrophobicContact CD1-CG1 4.22Å; I390-I418 HydrophobicContact CD1-CG2 4.2Å; I390-T421 HydrophobicContact CD1-CG2 3.76Å; I390-L422 HydrophobicContact CG2-CD2 3.82Å; I390-L422 HydrophobicContact CG2-CG 4.46Å; I390-M425 HydrophobicContact CG2-CE 4.23Å
391	L	95.4	Very high	92.2	Very high	2 Å²	2	55 Å²	55	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-39.7	177.4	-73.3	169.6	0	0	0	111.5	R387 L394 S395 M425 M427 V444 L447 L448 I451	R387-L391 VanDerWaalsContact O-CB 3.27Å; R387-L391 WeakPolarHBondContact O-CB 3.44Å; R387-L391 WeakPolarHBondContact O-CD1 3.39Å; R387-L391 WeakPolarHBondContact O-CG 3.41Å; R387-L391 PolarHBondContact O-N 3.36Å; L391-L394 PolarHBondContact O-N 3.49Å; L391-S395 VanDerWaalsContact O-CB 3.28Å; L391-S395 WeakPolarHBondContact O-CB 3.27Å; L391-S395 PolarHBondContact O-N 3.47Å; L391-M425 HydrophobicContact CD1-SD 3.92Å; L391-M425 HydrophobicContact CD2-CE 4.33Å; L391-M425 HydrophobicContact CD2-SD 4.1Å; L391-M425 HydrophobicContact CG-CE 4.31Å; L391-M425 HydrophobicContact CG-SD 3.91Å; L391-M427 HydrophobicContact CD2-CE 4.33Å; L391-M427 HydrophobicContact CD2-SD 3.94Å; L391-V444 HydrophobicContact CD2-CG1 4.01Å; L391-L447 HydrophobicContact CD1-CB 4.03Å; L391-L447 HydrophobicContact CD2-CB 4.11Å; L391-L447 HydrophobicContact CD2-CD1 4.37Å; L391-L448 HydrophobicContact CB-CB 4.32Å; L391-L448 HydrophobicContact CB-CD1 3.98Å; L391-I451 HydrophobicContact CD1-CD1 3.62Å
392	K	94.4	Very high	91.9	Very high	116 Å²	116	53.2 Å²	53.2	50%	0.504	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-45.6	174.1	-176.5	-175.4	176	-171.3	0	111.3	F388 I390 S395 S396	F388-K392 HydrophobicContact CE1-CD 4.32Å; F388-K392 VanDerWaalsContact O-CB 3.23Å; F388-K392 WeakPolarHBondContact O-CB 3.41Å; F388-K392 PolarHBondContact O-N 3.06Å; I390-K392 VanDerWaalsContact C-N 3.33Å; I390-K392 PolarHBondContact O-N 3.38Å; K392-S395 PolarHBondContact O-N 3.11Å; K392-S396 PolarHBondContact O-N 2.97Å; K392-S396 VanDerWaalsContact O-N 3.16Å; K392-S396 PolarHBondContact O-OG 3.16Å
393	Y	94.4	Very high	91.6	Very high	21 Å²	21	56 Å²	56	8%	0.082	28%	0.283	C	S	.	.	H	α-helix	trans	-57.6	-53.5	174.4	-177	-79.7	0	0	0	110.9	E389 I390 S395 S396 F397 I402 M407 E410 L411	E389-Y393 WeakPolarHBondContact O-CB 3.21Å; E389-Y393 PolarHBondContact O-N 3.26Å; I390-Y393 WeakPolarHBondContact O-CB 3.34Å; I390-Y393 PolarHBondContact O-N 3.29Å; Y393-S395 VanDerWaalsContact C-N 3.34Å; Y393-S395 PolarHBondContact O-N 3.49Å; Y393-S396 PolarHBondContact O-N 3.29Å; Y393-S396 VanDerWaalsContact O-N 3.14Å; Y393-S396 PolarHBondContact O-OG 3.42Å; Y393-F397 HydrophobicContact CD1-CB 4.47Å; Y393-F397 HydrophobicContact CD1-CD2 4.47Å; Y393-F397 HydrophobicContact CE1-CB 4.34Å; Y393-F397 AromaticContact CE1-CD2 3.58Å; Y393-F397 HydrophobicContact CE1-CD2 3.58Å; Y393-F397 HydrophobicContact CE1-CE2 4.17Å; Y393-F397 HydrophobicContact CE1-CG 4.17Å; Y393-F397 AromaticContact CZ-CD2 3.94Å; Y393-F397 WeakPolarHBondContact O-CB 3.4Å; Y393-F397 PolarHBondContact O-N 3.14Å; Y393-I402 HydrophobicContact CE1-CD1 4.04Å; Y393-M407 HydrophobicContact CD1-CE 3.7Å; Y393-M407 HydrophobicContact CD1-CG 4.03Å; Y393-M407 HydrophobicContact CD1-SD 4.41Å; Y393-M407 HydrophobicContact CD2-CG 4.41Å; Y393-M407 HydrophobicContact CE1-CB 4.24Å; Y393-M407 HydrophobicContact CE1-CE 3.77Å; Y393-M407 HydrophobicContact CE1-CG 3.97Å; Y393-M407 HydrophobicContact CE2-CG 4.3Å; Y393-M407 HydrophobicContact CG-CG 4.27Å; Y393-E410 HydrophobicContact CE2-CB 4.06Å; Y393-E410 VanDerWaalsContact CE2-OE2 3.28Å; Y393-E410 WeakPolarHBondContact CE2-OE2 3.43Å; Y393-E410 PolarHBondContact OH-OE1 3.46Å; Y393-L411 HydrophobicContact CD2-CD1 4.33Å; Y393-L411 HydrophobicContact CD2-CD2 3.87Å; Y393-L411 HydrophobicContact CD2-CG 4.02Å; Y393-L411 HydrophobicContact CG-CD1 4.38Å; Y393-L411 HydrophobicContact CG-CD2 4.45Å
394	L	93.2	Very high	91.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-37.7	-178.3	-70.2	177	0	0	0	113.1	I390 L391 S396 F397 I402 M407 L422 M427 I437 K441 V444	I390-L394 HydrophobicContact CG2-CD1 3.99Å; I390-L394 HydrophobicContact CG2-CG 4.37Å; I390-L394 WeakPolarHBondContact O-CB 3.35Å; I390-L394 VanDerWaalsContact O-CG 3.32Å; I390-L394 WeakPolarHBondContact O-CG 3.43Å; I390-L394 PolarHBondContact O-N 3.46Å; L391-L394 PolarHBondContact O-N 3.49Å; L394-S396 VanDerWaalsContact C-N 3.34Å; L394-S396 PolarHBondContact O-N 3.45Å; L394-F397 PolarHBondContact O-N 2.96Å; L394-I402 HydrophobicContact CD2-CD1 3.41Å; L394-I402 VanDerWaalsContact CD2-CD1 3.41Å; L394-M407 HydrophobicContact CD2-CE 3.74Å; L394-M407 HydrophobicContact CG-CE 4.33Å; L394-L422 HydrophobicContact CD1-CD2 4.11Å; L394-M427 HydrophobicContact CD1-CE 3.63Å; L394-I437 HydrophobicContact CD1-CG2 4.19Å; L394-I437 HydrophobicContact CD2-CG2 4.27Å; L394-K441 PolarHBondContact O-NZ 2.95Å; L394-V444 HydrophobicContact CB-CG1 4.02Å
395	S	91.5	Very high	91.4	Very high	39 Å²	39	49.8 Å²	49.8	27%	0.273	26%	0.26	S	S	.	.	H	α-helix	trans	-62	-41.2	175.3	179.5	0	0	0	0	111.2	L391 K392 Y393 K441 D445	L391-S395 VanDerWaalsContact O-CB 3.28Å; L391-S395 WeakPolarHBondContact O-CB 3.27Å; L391-S395 PolarHBondContact O-N 3.47Å; K392-S395 PolarHBondContact O-N 3.11Å; Y393-S395 VanDerWaalsContact C-N 3.34Å; Y393-S395 PolarHBondContact O-N 3.49Å; S395-K441 PolarHBondContact O-NZ 2.89Å; S395-D445 WeakPolarHBondContact CB-OD1 3.46Å; S395-D445 PolarHBondContact OG-OD1 3.4Å
396	S	90.6	Very high	91.1	Very high	86 Å²	86	51.5 Å²	51.5	60%	0.601	27%	0.273	S	S	*	.	H	α-helix	trans	-79	-18.3	176	68.1	0	0	0	0	115.2	K392 Y393 L394 T398	K392-S396 PolarHBondContact O-N 2.97Å; K392-S396 VanDerWaalsContact O-N 3.16Å; K392-S396 PolarHBondContact O-OG 3.16Å; Y393-S396 PolarHBondContact O-N 3.29Å; Y393-S396 VanDerWaalsContact O-N 3.14Å; Y393-S396 PolarHBondContact O-OG 3.42Å; L394-S396 VanDerWaalsContact C-N 3.34Å; L394-S396 PolarHBondContact O-N 3.45Å; S396-T398 PolarHBondContact O-N 3.02Å
397	F	88.8	Confident	91	Very high	37 Å²	37	51 Å²	51	16%	0.162	27%	0.271	C	S	.	.			trans	-74.4	117.5	-172.6	-167.5	-97.5	0	0	0	112.7	Y393 L394 A399 S401 I402 K441	Y393-F397 HydrophobicContact CD1-CB 4.47Å; Y393-F397 HydrophobicContact CD1-CD2 4.47Å; Y393-F397 HydrophobicContact CE1-CB 4.34Å; Y393-F397 AromaticContact CE1-CD2 3.58Å; Y393-F397 HydrophobicContact CE1-CD2 3.58Å; Y393-F397 HydrophobicContact CE1-CE2 4.17Å; Y393-F397 HydrophobicContact CE1-CG 4.17Å; Y393-F397 AromaticContact CZ-CD2 3.94Å; Y393-F397 WeakPolarHBondContact O-CB 3.4Å; Y393-F397 PolarHBondContact O-N 3.14Å; L394-F397 PolarHBondContact O-N 2.96Å; F397-A399 HydrophobicContact CE1-CB 3.76Å; F397-A399 WeakPolarHBondContact CE1-O 3.03Å; F397-A399 HydrophobicContact CE2-CB 4.34Å; F397-A399 HydrophobicContact CZ-CB 3.65Å; F397-S401 WeakPolarHBondContact CE1-O 3.48Å; F397-S401 WeakPolarHBondContact CZ-O 3.44Å; F397-I402 HydrophobicContact CD1-CB 4.39Å; F397-I402 HydrophobicContact CD1-CD1 4.06Å; F397-I402 HydrophobicContact CD1-CG1 4.41Å; F397-I402 HydrophobicContact CE1-CB 3.69Å; F397-I402 HydrophobicContact CE1-CD1 4.13Å; F397-I402 HydrophobicContact CE1-CG1 3.97Å; F397-I402 HydrophobicContact CE2-CG1 4.34Å; F397-I402 HydrophobicContact CG-CD1 4.26Å; F397-I402 HydrophobicContact CZ-CB 3.91Å; F397-I402 HydrophobicContact CZ-CD1 4.38Å; F397-I402 HydrophobicContact CZ-CG1 3.92Å; F397-K441 WeakPolarHBondContact O-CE 3.35Å; F397-K441 PolarHBondContact O-NZ 3.47Å
398	T	86.5	Confident	91	Very high	139 Å²	139	48 Å²	48	85%	0.853	26%	0.26	S	S	*	.			trans	-107.9	-10.9	-175.5	52.6	0	0	0	0	114.5	S396	S396-T398 PolarHBondContact O-N 3.02Å
399	A	83.9	Confident	90.9	Very high	54 Å²	54	51.1 Å²	51.1	45%	0.446	28%	0.275	S	S	.	.	S	Bend	trans	-72.3	157.2	-175.6	0	0	0	0	0	112.8	F397 S401	F397-A399 HydrophobicContact CE1-CB 3.76Å; F397-A399 WeakPolarHBondContact CE1-O 3.03Å; F397-A399 HydrophobicContact CE2-CB 4.34Å; F397-A399 HydrophobicContact CZ-CB 3.65Å; A399-S401 VanDerWaalsContact C-N 3.33Å; A399-S401 PolarHBondContact O-N 3.49Å
400	K	79.4	Confident	90.8	Very high	188 Å²	188	55.9 Å²	55.9	82%	0.817	30%	0.297	S	S	*	.	S	Bend	trans	-76.5	-10.5	-176.5	-67.7	-173.8	179.3	-178.6	0	115.1	I512	K400-I512 WeakPolarHBondContact O-CD1 3.49Å; K400-I512 WeakPolarHBondContact O-CG1 2.94Å
401	S	83.4	Confident	90.8	Very high	59 Å²	59	56.7 Å²	56.7	41%	0.413	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	144.8	177	56.9	0	0	0	0	108.9	F397 A399 N511	F397-S401 WeakPolarHBondContact CE1-O 3.48Å; F397-S401 WeakPolarHBondContact CZ-O 3.44Å; A399-S401 VanDerWaalsContact C-N 3.33Å; A399-S401 PolarHBondContact O-N 3.49Å; S401-N511 WeakPolarHBondContact CB-OD1 3.26Å
402	I	86.1	Confident	90.8	Very high	9 Å²	9	56.6 Å²	56.6	5%	0.046	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.4	-174	-169.8	167.2	0	0	0	109.4	Y393 L394 F397 M407 I437 A510	Y393-I402 HydrophobicContact CE1-CD1 4.04Å; L394-I402 HydrophobicContact CD2-CD1 3.41Å; L394-I402 VanDerWaalsContact CD2-CD1 3.41Å; F397-I402 HydrophobicContact CD1-CB 4.39Å; F397-I402 HydrophobicContact CD1-CD1 4.06Å; F397-I402 HydrophobicContact CD1-CG1 4.41Å; F397-I402 HydrophobicContact CE1-CB 3.69Å; F397-I402 HydrophobicContact CE1-CD1 4.13Å; F397-I402 HydrophobicContact CE1-CG1 3.97Å; F397-I402 HydrophobicContact CE2-CG1 4.34Å; F397-I402 HydrophobicContact CG-CD1 4.26Å; F397-I402 HydrophobicContact CZ-CB 3.91Å; F397-I402 HydrophobicContact CZ-CD1 4.38Å; F397-I402 HydrophobicContact CZ-CG1 3.92Å; I402-M407 HydrophobicContact CD1-CE 3.39Å; I402-M407 HydrophobicContact CG1-CE 4.14Å; I402-I437 HydrophobicContact CD1-CD1 4.3Å; I402-I437 HydrophobicContact CG2-CB 4.4Å; I402-I437 HydrophobicContact CG2-CD1 3.98Å; I402-I437 HydrophobicContact CG2-CG1 4.42Å; I402-A510 PolarHBondContact N-O 3.3Å; I402-A510 WeakPolarHBondContact O-CB 3.17Å
403	N	88.8	Confident	91	Very high	59 Å²	59	51.1 Å²	51.1	32%	0.316	28%	0.277	S	S	.	.			trans	-102.8	120.6	175.8	-174.7	-14.8	0	0	0	109.5	R405 S406 M407	N403-R405 PolarHBondContact O-N 3.33Å; N403-R405 WeakPolarHBondContact OD1-CB 3.08Å; N403-R405 PolarHBondContact OD1-N 2.74Å; N403-S406 WeakPolarHBondContact O-CB 3.45Å; N403-S406 PolarHBondContact O-N 3.44Å; N403-M407 PolarHBondContact O-N 3.41Å
404	I	91.5	Very high	91.1	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-58.2	-31.5	178.4	-64.2	175.4	0	0	0	111.2	M407 S408 V415 I418 V419 L428 I437	I404-M407 PolarHBondContact O-N 2.99Å; I404-S408 VanDerWaalsContact O-CB 3.31Å; I404-S408 WeakPolarHBondContact O-CB 3.46Å; I404-S408 PolarHBondContact O-N 3.16Å; I404-V415 HydrophobicContact CG2-CG1 3.87Å; I404-V415 HydrophobicContact CG2-CG2 4.34Å; I404-I418 HydrophobicContact CG2-CB 4.46Å; I404-I418 HydrophobicContact CG2-CG2 4.06Å; I404-V419 HydrophobicContact CD1-CG2 4.3Å; I404-V419 HydrophobicContact CG2-CG2 4.43Å; I404-L428 HydrophobicContact CD1-CD1 4.33Å; I404-I437 HydrophobicContact CD1-CD1 4.4Å; I404-I437 HydrophobicContact CG1-CD1 4.01Å
405	R	92.1	Very high	91.2	Very high	107 Å²	107	52.5 Å²	52.5	40%	0.404	29%	0.288	S	S	.	.	H	α-helix	trans	-68.2	-39.7	175.1	-77.6	173.6	-86.3	-171.6	0.8	112.3	N403 S408 Q409 V415 I508	N403-R405 PolarHBondContact O-N 3.33Å; N403-R405 WeakPolarHBondContact OD1-CB 3.08Å; N403-R405 PolarHBondContact OD1-N 2.74Å; R405-S408 WeakPolarHBondContact O-CB 3.42Å; R405-S408 PolarHBondContact O-N 3.3Å; R405-Q409 VanDerWaalsContact O-CG 3.3Å; R405-Q409 WeakPolarHBondContact O-CG 3.35Å; R405-Q409 PolarHBondContact O-N 2.64Å; R405-V415 HydrophobicContact CG-CG2 4.29Å; R405-I508 PolarHBondContact NH2-O 2.83Å
406	S	91.7	Very high	91.4	Very high	42 Å²	42	54.8 Å²	54.8	29%	0.294	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-44.2	173.6	-56.7	0	0	0	0	111	N403 S408 Q409 E410	N403-S406 WeakPolarHBondContact O-CB 3.45Å; N403-S406 PolarHBondContact O-N 3.44Å; S406-S408 VanDerWaalsContact C-N 3.28Å; S406-S408 PolarHBondContact O-N 3.06Å; S406-Q409 PolarHBondContact O-N 3.49Å; S406-Q409 VanDerWaalsContact O-N 3.17Å; S406-E410 WeakPolarHBondContact O-CG 3.49Å; S406-E410 PolarHBondContact O-N 2.81Å
407	M	93.8	Very high	91.7	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-40.5	173.4	-175.1	-169.5	-66.7	0	0	111.9	I390 Y393 L394 I402 N403 I404 E410 L411 I418 I437	I390-M407 HydrophobicContact CG2-SD 4.38Å; Y393-M407 HydrophobicContact CD1-CE 3.7Å; Y393-M407 HydrophobicContact CD1-CG 4.03Å; Y393-M407 HydrophobicContact CD1-SD 4.41Å; Y393-M407 HydrophobicContact CD2-CG 4.41Å; Y393-M407 HydrophobicContact CE1-CB 4.24Å; Y393-M407 HydrophobicContact CE1-CE 3.77Å; Y393-M407 HydrophobicContact CE1-CG 3.97Å; Y393-M407 HydrophobicContact CE2-CG 4.3Å; Y393-M407 HydrophobicContact CG-CG 4.27Å; L394-M407 HydrophobicContact CD2-CE 3.74Å; L394-M407 HydrophobicContact CG-CE 4.33Å; I402-M407 HydrophobicContact CD1-CE 3.39Å; I402-M407 HydrophobicContact CG1-CE 4.14Å; N403-M407 PolarHBondContact O-N 3.41Å; I404-M407 PolarHBondContact O-N 2.99Å; M407-E410 PolarHBondContact O-N 3.3Å; M407-L411 HydrophobicContact CG-CD1 3.66Å; M407-L411 HydrophobicContact CG-CG 4.22Å; M407-L411 VanDerWaalsContact O-CB 3.31Å; M407-L411 WeakPolarHBondContact O-CB 3.44Å; M407-L411 WeakPolarHBondContact O-CG 3.33Å; M407-L411 PolarHBondContact O-N 2.89Å; M407-L411 HydrophobicContact SD-CD1 4.25Å; M407-I418 HydrophobicContact CB-CD1 4.5Å; M407-I418 HydrophobicContact CG-CD1 4.15Å; M407-I418 HydrophobicContact SD-CD1 4.23Å; M407-I418 HydrophobicContact SD-CG2 3.68Å; M407-I437 HydrophobicContact CE-CD1 4.32Å
408	S	96.3	Very high	92.1	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-42.3	176.7	-174.6	0	0	0	0	112.5	I404 R405 S406 G412 I413	I404-S408 VanDerWaalsContact O-CB 3.31Å; I404-S408 WeakPolarHBondContact O-CB 3.46Å; I404-S408 PolarHBondContact O-N 3.16Å; R405-S408 WeakPolarHBondContact O-CB 3.42Å; R405-S408 PolarHBondContact O-N 3.3Å; S406-S408 VanDerWaalsContact C-N 3.28Å; S406-S408 PolarHBondContact O-N 3.06Å; S408-G412 CarbonylContact O-C 3.59Å; S408-G412 VanDerWaalsContact O-CA 3.24Å; S408-G412 WeakPolarHBondContact O-CA 3.2Å; S408-G412 PolarHBondContact O-N 2.87Å; S408-I413 WeakPolarHBondContact CA-O 3.3Å; S408-I413 VanDerWaalsContact CB-O 3.31Å; S408-I413 WeakPolarHBondContact CB-O 3.33Å; S408-I413 PolarHBondContact O-N 3.4Å; S408-I413 PolarHBondContact OG-O 3.13Å
409	Q	94.1	Very high	92.5	Very high	93 Å²	93	44.2 Å²	44.2	44%	0.435	24%	0.236	S	C	.	.	H	α-helix	trans	-67.2	-45.4	176.9	-69.3	169.5	-17	0	0	111.7	N329 I367 R405 S406 G412	N329-Q409 PolarHBondContact ND2-NE2 2.98Å; I367-Q409 HydrophobicContact CD1-CG 4.34Å; R405-Q409 VanDerWaalsContact O-CG 3.3Å; R405-Q409 WeakPolarHBondContact O-CG 3.35Å; R405-Q409 PolarHBondContact O-N 2.64Å; S406-Q409 PolarHBondContact O-N 3.49Å; S406-Q409 VanDerWaalsContact O-N 3.17Å; Q409-G412 PolarHBondContact O-N 3.42Å
410	E	94.1	Very high	93	Very high	116 Å²	116	44.3 Å²	44.3	54%	0.542	23%	0.233	S	C	.	.	H	α-helix	trans	-69.6	-41.5	-178.4	-71.1	-178.1	-138.6	0	0	113	R362 Y393 S406 M407	R362-E410 VanDerWaalsContact CD-O 3.28Å; R362-E410 WeakPolarHBondContact CD-O 2.95Å; Y393-E410 HydrophobicContact CE2-CB 4.06Å; Y393-E410 VanDerWaalsContact CE2-OE2 3.28Å; Y393-E410 WeakPolarHBondContact CE2-OE2 3.43Å; Y393-E410 PolarHBondContact OH-OE1 3.46Å; S406-E410 WeakPolarHBondContact O-CG 3.49Å; S406-E410 PolarHBondContact O-N 2.81Å; M407-E410 PolarHBondContact O-N 3.3Å
411	L	96.3	Very high	93.8	Very high	17 Å²	17	35.6 Å²	35.6	9%	0.089	20%	0.196	C	C	.	.	H	α-helix	trans	-82.1	-19	178.3	-63.8	-179.1	0	0	0	112.8	I390 Y393 M407 I413	I390-L411 HydrophobicContact CG1-CD1 4.1Å; Y393-L411 HydrophobicContact CD2-CD1 4.33Å; Y393-L411 HydrophobicContact CD2-CD2 3.87Å; Y393-L411 HydrophobicContact CD2-CG 4.02Å; Y393-L411 HydrophobicContact CG-CD1 4.38Å; Y393-L411 HydrophobicContact CG-CD2 4.45Å; M407-L411 HydrophobicContact CG-CD1 3.66Å; M407-L411 HydrophobicContact CG-CG 4.22Å; M407-L411 VanDerWaalsContact O-CB 3.31Å; M407-L411 WeakPolarHBondContact O-CB 3.44Å; M407-L411 WeakPolarHBondContact O-CG 3.33Å; M407-L411 PolarHBondContact O-N 2.89Å; M407-L411 HydrophobicContact SD-CD1 4.25Å; L411-I413 HydrophobicContact CB-CB 4.33Å; L411-I413 HydrophobicContact CB-CD1 3.9Å; L411-I413 HydrophobicContact CB-CG1 3.96Å; L411-I413 HydrophobicContact CD1-CD1 4.16Å; L411-I413 PolarHBondContact O-N 3.22Å
412	G	96.2	Very high	94.3	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.01	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	22.6	-170.7	0	0	0	0	0	113.2	Y358 G368 S408 Q409	Y358-G412 VanDerWaalsContact CD1-O 3.26Å; Y358-G412 WeakPolarHBondContact CD1-O 3.37Å; Y358-G412 VanDerWaalsContact CE1-O 3.28Å; Y358-G412 WeakPolarHBondContact CE1-O 3.46Å; G368-G412 PolarHBondContact N-O 3.2Å; S408-G412 CarbonylContact O-C 3.59Å; S408-G412 VanDerWaalsContact O-CA 3.24Å; S408-G412 WeakPolarHBondContact O-CA 3.2Å; S408-G412 PolarHBondContact O-N 2.87Å; Q409-G412 PolarHBondContact O-N 3.42Å
413	I	97.9	Very high	94.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-105.5	131	-178.7	-59.8	169.6	0	0	0	109.1	Y358 E389 S408 L411 D417 I418	Y358-I413 HydrophobicContact CD1-CG1 4.03Å; Y358-I413 HydrophobicContact CE1-CB 4.27Å; Y358-I413 HydrophobicContact CE1-CG1 3.69Å; E389-I413 HydrophobicContact CB-CD1 4.41Å; S408-I413 WeakPolarHBondContact CA-O 3.3Å; S408-I413 VanDerWaalsContact CB-O 3.31Å; S408-I413 WeakPolarHBondContact CB-O 3.33Å; S408-I413 PolarHBondContact O-N 3.4Å; S408-I413 PolarHBondContact OG-O 3.13Å; L411-I413 HydrophobicContact CB-CB 4.33Å; L411-I413 HydrophobicContact CB-CD1 3.9Å; L411-I413 HydrophobicContact CB-CG1 3.96Å; L411-I413 HydrophobicContact CD1-CD1 4.16Å; L411-I413 PolarHBondContact O-N 3.22Å; I413-D417 HydrophobicContact CG2-CB 3.73Å; I413-I418 HydrophobicContact CB-CD1 4.26Å; I413-I418 HydrophobicContact CB-CG1 4.08Å; I413-I418 HydrophobicContact CG2-CD1 4.47Å; I413-I418 HydrophobicContact CG2-CG1 3.78Å; I413-I418 WeakPolarHBondContact O-CD1 3.23Å
414	A	96.6	Very high	94.9	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.017	20%	0.2	C	C	.	.			trans	-58.2	141.1	178.9	0	0	0	0	0	113.1	V331 I367 G368 P416 D417 I418	V331-A414 HydrophobicContact CG1-CB 3.95Å; I367-A414 VanDerWaalsContact CG2-CA 3.4Å; I367-A414 HydrophobicContact CG2-CB 4.01Å; G368-A414 PolarHBondContact O-N 3.13Å; A414-P416 VanDerWaalsContact C-CD 3.44Å; A414-P416 VanDerWaalsContact C-N 3.33Å; A414-D417 WeakPolarHBondContact O-CA 3.34Å; A414-D417 WeakPolarHBondContact O-CB 3.5Å; A414-D417 PolarHBondContact O-N 2.88Å; A414-I418 PolarHBondContact O-N 3.15Å; A414-I418 VanDerWaalsContact O-N 3.1Å
415	V	95.9	Very high	94.9	Very high	47 Å²	47	38.4 Å²	38.4	29%	0.285	21%	0.205	S	C	.	.	H	α-helix	trans	-50.2	-44.2	179.6	173.6	0	0	0	0	113.2	I404 R405 D417 I418 V419	I404-V415 HydrophobicContact CG2-CG1 3.87Å; I404-V415 HydrophobicContact CG2-CG2 4.34Å; R405-V415 HydrophobicContact CG-CG2 4.29Å; V415-D417 VanDerWaalsContact C-N 3.26Å; V415-D417 PolarHBondContact O-N 3.41Å; V415-I418 PolarHBondContact O-N 2.95Å; V415-V419 HydrophobicContact CG1-CG2 4Å; V415-V419 WeakPolarHBondContact O-CB 3.47Å; V415-V419 VanDerWaalsContact O-CG2 3.3Å; V415-V419 WeakPolarHBondContact O-CG2 3.5Å; V415-V419 PolarHBondContact O-N 2.87Å
416	P	95	Very high	94.9	Very high	88 Å²	88	41.7 Å²	41.7	57%	0.571	22%	0.223	S	C	*	.	H	α-helix	trans	-60.5	-33.7	177	-24.5	35.9	0	0	0	113.8	A414 S420	A414-P416 VanDerWaalsContact C-CD 3.44Å; A414-P416 VanDerWaalsContact C-N 3.33Å; P416-S420 VanDerWaalsContact O-CB 3.26Å; P416-S420 WeakPolarHBondContact O-CB 3.36Å; P416-S420 PolarHBondContact O-N 3.19Å; P416-S420 PolarHBondContact O-OG 3.19Å
417	D	96.7	Very high	94.8	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.032	21%	0.211	C	C	.	.	H	α-helix	trans	-73.5	-38.5	178.6	-66.2	-37.6	0	0	0	111	T369 R372 W386 I413 A414 V415 S420 T421	T369-D417 PolarHBondContact OG1-OD2 2.98Å; R372-D417 IonicContact CZ-OD1 2.76Å; R372-D417 VanDerWaalsContact NH2-CG 3.3Å; R372-D417 IonicContact NH2-OD1 2.92Å; R372-D417 PolarHBondContact NH2-OD1 3.13Å; R372-D417 IonicContact NH2-OD2 3.21Å; R372-D417 PolarHBondContact NH2-OD2 3.48Å; W386-D417 HydrophobicContact CD2-CB 4.2Å; W386-D417 HydrophobicContact CE3-CB 4.18Å; W386-D417 HydrophobicContact CH2-CB 3.81Å; W386-D417 WeakPolarHBondContact CH2-OD1 3.34Å; W386-D417 HydrophobicContact CZ2-CB 3.81Å; W386-D417 HydrophobicContact CZ3-CB 4Å; I413-D417 HydrophobicContact CG2-CB 3.73Å; A414-D417 WeakPolarHBondContact O-CA 3.34Å; A414-D417 WeakPolarHBondContact O-CB 3.5Å; A414-D417 PolarHBondContact O-N 2.88Å; V415-D417 VanDerWaalsContact C-N 3.26Å; V415-D417 PolarHBondContact O-N 3.41Å; D417-S420 PolarHBondContact O-OG 3.49Å; D417-S420 VanDerWaalsContact O-OG 3.08Å; D417-T421 VanDerWaalsContact O-CB 3.29Å; D417-T421 WeakPolarHBondContact O-CB 3.31Å; D417-T421 PolarHBondContact O-N 3Å; D417-T421 VanDerWaalsContact O-N 3.08Å; D417-T421 PolarHBondContact O-OG1 3.04Å
418	I	97.1	Very high	94.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-52.1	172	-63.7	173.4	0	0	0	110.6	I390 I404 M407 I413 A414 V415 S420 T421 L422	I390-I418 HydrophobicContact CD1-CB 4.31Å; I390-I418 HydrophobicContact CD1-CG1 4.22Å; I390-I418 HydrophobicContact CD1-CG2 4.2Å; I404-I418 HydrophobicContact CG2-CB 4.46Å; I404-I418 HydrophobicContact CG2-CG2 4.06Å; M407-I418 HydrophobicContact CB-CD1 4.5Å; M407-I418 HydrophobicContact CG-CD1 4.15Å; M407-I418 HydrophobicContact SD-CD1 4.23Å; M407-I418 HydrophobicContact SD-CG2 3.68Å; I413-I418 HydrophobicContact CB-CD1 4.26Å; I413-I418 HydrophobicContact CB-CG1 4.08Å; I413-I418 HydrophobicContact CG2-CD1 4.47Å; I413-I418 HydrophobicContact CG2-CG1 3.78Å; I413-I418 WeakPolarHBondContact O-CD1 3.23Å; A414-I418 PolarHBondContact O-N 3.15Å; A414-I418 VanDerWaalsContact O-N 3.1Å; V415-I418 PolarHBondContact O-N 2.95Å; I418-S420 PolarHBondContact O-N 3.14Å; I418-T421 PolarHBondContact O-N 2.89Å; I418-L422 HydrophobicContact CG2-CD1 3.79Å; I418-L422 HydrophobicContact CG2-CG 4.3Å; I418-L422 WeakPolarHBondContact O-CG 3.25Å; I418-L422 PolarHBondContact O-N 3.38Å
419	V	95.7	Very high	94.4	Very high	33 Å²	33	44 Å²	44	20%	0.2	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-48	-178.4	167.7	0	0	0	0	111	I404 V415 T421 L422 L423 L428	I404-V419 HydrophobicContact CD1-CG2 4.3Å; I404-V419 HydrophobicContact CG2-CG2 4.43Å; V415-V419 HydrophobicContact CG1-CG2 4Å; V415-V419 WeakPolarHBondContact O-CB 3.47Å; V415-V419 VanDerWaalsContact O-CG2 3.3Å; V415-V419 WeakPolarHBondContact O-CG2 3.5Å; V415-V419 PolarHBondContact O-N 2.87Å; V419-T421 VanDerWaalsContact C-N 3.27Å; V419-T421 PolarHBondContact O-N 3.48Å; V419-L422 PolarHBondContact O-N 3.44Å; V419-L423 HydrophobicContact CG1-CD1 3.9Å; V419-L423 HydrophobicContact CG1-CG 4.45Å; V419-L423 WeakPolarHBondContact O-CB 3.21Å; V419-L423 WeakPolarHBondContact O-CG 3.35Å; V419-L423 PolarHBondContact O-N 3.06Å; V419-L428 HydrophobicContact CG1-CD2 3.81Å
420	S	94.8	Very high	94.1	Very high	56 Å²	56	43 Å²	43	39%	0.392	24%	0.236	S	C	.	.	H	α-helix	trans	-62.7	-35.7	178.3	64.5	0	0	0	0	112.5	P416 D417 I418 D424	P416-S420 VanDerWaalsContact O-CB 3.26Å; P416-S420 WeakPolarHBondContact O-CB 3.36Å; P416-S420 PolarHBondContact O-N 3.19Å; P416-S420 PolarHBondContact O-OG 3.19Å; D417-S420 PolarHBondContact O-OG 3.49Å; D417-S420 VanDerWaalsContact O-OG 3.08Å; I418-S420 PolarHBondContact O-N 3.14Å; S420-D424 WeakPolarHBondContact O-CB 3.38Å; S420-D424 PolarHBondContact O-N 3.3Å
421	T	95.7	Very high	93.8	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-69.9	-42.2	176.9	-57	0	0	0	0	111.8	W386 R387 I390 D417 I418 V419 D424 M425	W386-T421 HydrophobicContact CB-CG2 4.14Å; R387-T421 HydrophobicContact CB-CG2 4.25Å; R387-T421 HydrophobicContact CG-CG2 3.48Å; R387-T421 VanDerWaalsContact CG-CG2 3.48Å; I390-T421 HydrophobicContact CD1-CG2 3.76Å; D417-T421 VanDerWaalsContact O-CB 3.29Å; D417-T421 WeakPolarHBondContact O-CB 3.31Å; D417-T421 PolarHBondContact O-N 3Å; D417-T421 VanDerWaalsContact O-N 3.08Å; D417-T421 PolarHBondContact O-OG1 3.04Å; I418-T421 PolarHBondContact O-N 2.89Å; V419-T421 VanDerWaalsContact C-N 3.27Å; V419-T421 PolarHBondContact O-N 3.48Å; T421-D424 PolarHBondContact O-N 3.18Å; T421-M425 HydrophobicContact CG2-CE 4.02Å; T421-M425 HydrophobicContact CG2-SD 4.5Å; T421-M425 WeakPolarHBondContact O-CG 3.46Å; T421-M425 PolarHBondContact O-N 3.41Å
422	L	94.9	Very high	93.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66	-39.3	176.1	-68.4	169.9	0	0	0	112.3	I390 L394 I418 V419 M425 K426 M427 L428 I437	I390-L422 HydrophobicContact CG2-CD2 3.82Å; I390-L422 HydrophobicContact CG2-CG 4.46Å; L394-L422 HydrophobicContact CD1-CD2 4.11Å; I418-L422 HydrophobicContact CG2-CD1 3.79Å; I418-L422 HydrophobicContact CG2-CG 4.3Å; I418-L422 WeakPolarHBondContact O-CG 3.25Å; I418-L422 PolarHBondContact O-N 3.38Å; V419-L422 PolarHBondContact O-N 3.44Å; L422-M425 HydrophobicContact CD2-CE 4.08Å; L422-M425 CarbonylContact O-C 3.5Å; L422-M425 PolarHBondContact O-N 3.21Å; L422-K426 PolarHBondContact O-N 3.38Å; L422-K426 VanDerWaalsContact O-N 3.11Å; L422-M427 HydrophobicContact CD2-CB 4.22Å; L422-M427 PolarHBondContact O-N 3.34Å; L422-L428 HydrophobicContact CB-CB 3.9Å; L422-I437 HydrophobicContact CD1-CD1 3.72Å; L422-I437 HydrophobicContact CD1-CG1 4.09Å; L422-I437 HydrophobicContact CD2-CG2 4.27Å
423	L	93.5	Very high	93	Very high	94 Å²	94	57.9 Å²	57.9	49%	0.492	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-43.4	174.9	-74.7	169.2	0	0	0	111.7	V419 M425 K426 L428	V419-L423 HydrophobicContact CG1-CD1 3.9Å; V419-L423 HydrophobicContact CG1-CG 4.45Å; V419-L423 WeakPolarHBondContact O-CB 3.21Å; V419-L423 WeakPolarHBondContact O-CG 3.35Å; V419-L423 PolarHBondContact O-N 3.06Å; L423-M425 VanDerWaalsContact C-N 3.31Å; L423-M425 PolarHBondContact O-N 3.17Å; L423-K426 WeakPolarHBondContact O-CA 3.4Å; L423-K426 PolarHBondContact O-N 3.29Å; L423-L428 HydrophobicContact CD2-CB 4.03Å; L423-L428 HydrophobicContact CD2-CD2 4.08Å; L423-L428 HydrophobicContact CD2-CG 4.42Å; L423-L428 HydrophobicContact CG-CB 4.29Å; L423-L428 HydrophobicContact CG-CD2 4Å
424	D	92.3	Very high	92.5	Very high	69 Å²	69	61.9 Å²	61.9	37%	0.369	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-36.8	177.3	169.4	106.8	0	0	0	112.3	R387 S420 T421 K426	R387-D424 IonicContact CZ-OD2 3.07Å; R387-D424 IonicContact NE-OD2 2.81Å; R387-D424 PolarHBondContact NE-OD2 3.37Å; R387-D424 IonicContact NH2-OD1 3.13Å; R387-D424 PolarHBondContact NH2-OD1 3.19Å; R387-D424 VanDerWaalsContact NH2-OD1 3.07Å; R387-D424 IonicContact NH2-OD2 2.68Å; R387-D424 PolarHBondContact NH2-OD2 3.31Å; S420-D424 WeakPolarHBondContact O-CB 3.38Å; S420-D424 PolarHBondContact O-N 3.3Å; T421-D424 PolarHBondContact O-N 3.18Å; D424-K426 PolarHBondContact O-N 3.08Å
425	M	93.3	Very high	92.1	Very high	27 Å²	27	66.5 Å²	66.5	13%	0.133	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-0.2	172	-63.3	-174.4	-57.2	0	0	113.6	R387 I390 L391 T421 L422 L423 M427	R387-M425 HydrophobicContact CB-SD 4.03Å; R387-M425 HydrophobicContact CG-CG 4.07Å; R387-M425 HydrophobicContact CG-SD 3.67Å; I390-M425 HydrophobicContact CG2-CE 4.23Å; L391-M425 HydrophobicContact CD1-SD 3.92Å; L391-M425 HydrophobicContact CD2-CE 4.33Å; L391-M425 HydrophobicContact CD2-SD 4.1Å; L391-M425 HydrophobicContact CG-CE 4.31Å; L391-M425 HydrophobicContact CG-SD 3.91Å; T421-M425 HydrophobicContact CG2-CE 4.02Å; T421-M425 HydrophobicContact CG2-SD 4.5Å; T421-M425 WeakPolarHBondContact O-CG 3.46Å; T421-M425 PolarHBondContact O-N 3.41Å; L422-M425 HydrophobicContact CD2-CE 4.08Å; L422-M425 CarbonylContact O-C 3.5Å; L422-M425 PolarHBondContact O-N 3.21Å; L423-M425 VanDerWaalsContact C-N 3.31Å; L423-M425 PolarHBondContact O-N 3.17Å; M425-M427 HydrophobicContact CB-CG 3.98Å; M425-M427 HydrophobicContact CB-SD 3.97Å; M425-M427 HydrophobicContact CE-SD 3.87Å; M425-M427 PolarHBondContact O-N 3.21Å; M425-M427 HydrophobicContact SD-SD 4.38Å
426	K	90.9	Very high	91.7	Very high	176 Å²	176	67.1 Å²	67.1	77%	0.765	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	31.2	-175	-54.3	179.6	-179.8	178.9	0	114	L422 L423 D424	L422-K426 PolarHBondContact O-N 3.38Å; L422-K426 VanDerWaalsContact O-N 3.11Å; L423-K426 WeakPolarHBondContact O-CA 3.4Å; L423-K426 PolarHBondContact O-N 3.29Å; D424-K426 PolarHBondContact O-N 3.08Å
427	M	90.8	Very high	91.3	Very high	9 Å²	9	63.7 Å²	63.7	4%	0.044	31%	0.311	C	S	.	.			trans	-101.2	-4.7	-178.7	-67	178.1	71.2	0	0	113.2	L391 L394 L422 M425 I437 I438 V444 L447	L391-M427 HydrophobicContact CD2-CE 4.33Å; L391-M427 HydrophobicContact CD2-SD 3.94Å; L394-M427 HydrophobicContact CD1-CE 3.63Å; L422-M427 HydrophobicContact CD2-CB 4.22Å; L422-M427 PolarHBondContact O-N 3.34Å; M425-M427 HydrophobicContact CB-CG 3.98Å; M425-M427 HydrophobicContact CB-SD 3.97Å; M425-M427 HydrophobicContact CE-SD 3.87Å; M425-M427 PolarHBondContact O-N 3.21Å; M425-M427 HydrophobicContact SD-SD 4.38Å; M427-I437 CarbonylContact O-C 3.51Å; M427-I437 VanDerWaalsContact O-CA 3.26Å; M427-I437 WeakPolarHBondContact O-CA 3.38Å; M427-I438 WeakPolarHBondContact CE-O 3.1Å; M427-I438 PolarHBondContact O-N 3.11Å; M427-V444 HydrophobicContact CE-CG2 3.6Å; M427-L447 HydrophobicContact SD-CD1 3.93Å
428	L	91.6	Very high	90.7	Very high	16 Å²	16	67.2 Å²	67.2	8%	0.084	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.5	175.5	-169.7	69.5	0	0	0	110.1	I404 V419 L422 L423 Y435 Y436 I437	I404-L428 HydrophobicContact CD1-CD1 4.33Å; V419-L428 HydrophobicContact CG1-CD2 3.81Å; L422-L428 HydrophobicContact CB-CB 3.9Å; L423-L428 HydrophobicContact CD2-CB 4.03Å; L423-L428 HydrophobicContact CD2-CD2 4.08Å; L423-L428 HydrophobicContact CD2-CG 4.42Å; L423-L428 HydrophobicContact CG-CB 4.29Å; L423-L428 HydrophobicContact CG-CD2 4Å; L428-Y435 HydrophobicContact CD2-CD1 4.38Å; L428-Y435 HydrophobicContact CG-CD1 4.21Å; L428-Y436 WeakPolarHBondContact CA-O 3.3Å; L428-I437 HydrophobicContact CD1-CG1 4.04Å
429	V	89.1	Confident	90.1	Very high	66 Å²	66	69.1 Å²	69.1	40%	0.4	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.1	-178.6	178.7	0	0	0	0	110.3	Y435 Y436 I438	V429-Y435 CarbonylContact O-C 3.59Å; V429-Y435 WeakPolarHBondContact O-CA 3.23Å; V429-Y436 PolarHBondContact N-O 2.84Å; V429-Y436 PolarHBondContact O-N 3.27Å; V429-I438 HydrophobicContact CG2-CD1 3.62Å; V429-I438 HydrophobicContact CG2-CG1 4.16Å
430	C	88.1	Confident	89.6	Confident	72 Å²	72	71.2 Å²	71.2	49%	0.486	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.7	171.4	-175.9	0	0	0	0	109.8	Q434 Y435	C430-Q434 CarbonylContact C-O 3.54Å; C430-Q434 WeakPolarHBondContact CA-O 3.44Å; C430-Y435 HydrophobicContact CB-CD1 3.95Å; C430-Y435 HydrophobicContact CB-CE1 3.73Å
431	Y	88.5	Confident	89.3	Confident	126 Å²	126	71.7 Å²	71.7	49%	0.494	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	125.2	175.1	-178.9	-101.4	0	0	0	109.8	T433 Q434 Y436	Y431-T433 VanDerWaalsContact C-N 3.32Å; Y431-T433 PolarHBondContact O-N 3.28Å; Y431-Q434 PolarHBondContact N-O 3.43Å; Y431-Q434 PolarHBondContact O-N 3.47Å; Y431-Y436 HydrophobicContact CD1-CE2 4.32Å
432	R	88.7	Confident	89.1	Confident	196 Å²	196	75.5 Å²	75.5	74%	0.74	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	45	54.7	-179.8	-64.1	-177.9	176.5	166.7	-0.7	112.7	Q434	R432-Q434 PolarHBondContact O-N 3.32Å; R432-Q434 VanDerWaalsContact O-N 3.1Å
433	T	86.9	Confident	88.8	Confident	126 Å²	126	79.6 Å²	79.6	77%	0.773	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	5	-179.6	71.4	0	0	0	0	116.6	Y431	Y431-T433 VanDerWaalsContact C-N 3.32Å; Y431-T433 PolarHBondContact O-N 3.28Å
434	Q	86.5	Confident	88.7	Confident	84 Å²	84	75.1 Å²	75.1	39%	0.393	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	146.8	175.5	-63.3	-61.9	-23.8	0	0	110.9	C430 Y431 R432 Y436	C430-Q434 CarbonylContact C-O 3.54Å; C430-Q434 WeakPolarHBondContact CA-O 3.44Å; Y431-Q434 PolarHBondContact N-O 3.43Å; Y431-Q434 PolarHBondContact O-N 3.47Å; R432-Q434 PolarHBondContact O-N 3.32Å; R432-Q434 VanDerWaalsContact O-N 3.1Å; Q434-Y436 HydrophobicContact CB-CD2 4.45Å; Q434-Y436 HydrophobicContact CB-CE2 3.55Å; Q434-Y436 WeakPolarHBondContact O-CD2 3.29Å; Q434-Y436 WeakPolarHBondContact O-CE2 3.28Å
435	Y	87.4	Confident	88.7	Confident	100 Å²	100	75.2 Å²	75.2	39%	0.392	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	133.6	176.2	-71.1	-85	0	0	0	110.7	L428 V429 C430 I508 A510	L428-Y435 HydrophobicContact CD2-CD1 4.38Å; L428-Y435 HydrophobicContact CG-CD1 4.21Å; V429-Y435 CarbonylContact O-C 3.59Å; V429-Y435 WeakPolarHBondContact O-CA 3.23Å; C430-Y435 HydrophobicContact CB-CD1 3.95Å; C430-Y435 HydrophobicContact CB-CE1 3.73Å; Y435-I508 HydrophobicContact CD2-CD1 4.31Å; Y435-I508 HydrophobicContact CD2-CG2 4.44Å; Y435-A510 WeakPolarHBondContact O-CB 3.38Å
436	Y	87.3	Confident	88.6	Confident	60 Å²	60	76.3 Å²	76.3	24%	0.235	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138	-178.2	-61.4	-94.2	0	0	0	109.8	L428 V429 Y431 Q434 N511 I512	L428-Y436 WeakPolarHBondContact CA-O 3.3Å; V429-Y436 PolarHBondContact N-O 2.84Å; V429-Y436 PolarHBondContact O-N 3.27Å; Y431-Y436 HydrophobicContact CD1-CE2 4.32Å; Q434-Y436 HydrophobicContact CB-CD2 4.45Å; Q434-Y436 HydrophobicContact CB-CE2 3.55Å; Q434-Y436 WeakPolarHBondContact O-CD2 3.29Å; Q434-Y436 WeakPolarHBondContact O-CE2 3.28Å; Y436-N511 WeakPolarHBondContact CD1-O 3.03Å; Y436-N511 WeakPolarHBondContact CE1-O 3.27Å; Y436-I512 WeakPolarHBondContact CD1-OXT 3.28Å
437	I	88.4	Confident	88.6	Confident	15 Å²	15	71 Å²	71	8%	0.077	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.9	169.4	-58.2	179.1	0	0	0	107.8	L394 I402 I404 M407 L422 M427 L428 N439	L394-I437 HydrophobicContact CD1-CG2 4.19Å; L394-I437 HydrophobicContact CD2-CG2 4.27Å; I402-I437 HydrophobicContact CD1-CD1 4.3Å; I402-I437 HydrophobicContact CG2-CB 4.4Å; I402-I437 HydrophobicContact CG2-CD1 3.98Å; I402-I437 HydrophobicContact CG2-CG1 4.42Å; I404-I437 HydrophobicContact CD1-CD1 4.4Å; I404-I437 HydrophobicContact CG1-CD1 4.01Å; M407-I437 HydrophobicContact CE-CD1 4.32Å; L422-I437 HydrophobicContact CD1-CD1 3.72Å; L422-I437 HydrophobicContact CD1-CG1 4.09Å; L422-I437 HydrophobicContact CD2-CG2 4.27Å; M427-I437 CarbonylContact O-C 3.51Å; M427-I437 VanDerWaalsContact O-CA 3.26Å; M427-I437 WeakPolarHBondContact O-CA 3.38Å; L428-I437 HydrophobicContact CD1-CG1 4.04Å; I437-N439 PolarHBondContact O-N 3.19Å
438	I	83.9	Confident	88.7	Confident	80 Å²	80	72.4 Å²	72.4	41%	0.41	37%	0.369	S	S	.	.			trans	-69.3	100.8	172	-57.8	173.2	0	0	0	107.6	M427 V429	M427-I438 WeakPolarHBondContact CE-O 3.1Å; M427-I438 PolarHBondContact O-N 3.11Å; V429-I438 HydrophobicContact CG2-CD1 3.62Å; V429-I438 HydrophobicContact CG2-CG1 4.16Å
439	N	83.8	Confident	88.7	Confident	41 Å²	41	76.2 Å²	76.2	22%	0.219	40%	0.397	C	S	.	.			trans	-112.1	55.6	-179.5	-170.1	18	0	0	0	111.3	I437 K441	I437-N439 PolarHBondContact O-N 3.19Å; N439-K441 PolarHBondContact O-N 3.38Å
440	N	85.9	Confident	88.8	Confident	77 Å²	77	78.3 Å²	78.3	41%	0.412	41%	0.41	S	S	.	.			trans	-75.5	111.9	171	-175.9	18.6	0	0	0	109	P442 D443 V444	N440-P442 WeakPolarHBondContact OD1-CD 3.49Å; N440-D443 HydrophobicContact CB-CB 4.11Å; N440-D443 WeakPolarHBondContact CB-OD2 3.15Å; N440-D443 PolarHBondContact ND2-OD1 3.34Å; N440-D443 PolarHBondContact ND2-OD2 2.95Å; N440-D443 PolarHBondContact O-N 3.28Å; N440-V444 WeakPolarHBondContact O-CG2 3.44Å; N440-V444 PolarHBondContact O-N 2.87Å
441	K	88.9	Confident	88.8	Confident	65 Å²	65	76.2 Å²	76.2	28%	0.283	39%	0.394	S	S	.	.	H	α-helix	trans	-53.4	-51.2	-171.9	-68.4	-67.3	-173.6	172.8	0	113.6	L394 S395 F397 N439 D443 V444 D445	L394-K441 PolarHBondContact O-NZ 2.95Å; S395-K441 PolarHBondContact O-NZ 2.89Å; F397-K441 WeakPolarHBondContact O-CE 3.35Å; F397-K441 PolarHBondContact O-NZ 3.47Å; N439-K441 PolarHBondContact O-N 3.38Å; K441-D443 VanDerWaalsContact C-N 3.27Å; K441-D443 PolarHBondContact O-N 2.9Å; K441-V444 PolarHBondContact O-N 3.49Å; K441-D445 WeakPolarHBondContact O-CB 3.29Å; K441-D445 VanDerWaalsContact O-CG 3.29Å; K441-D445 PolarHBondContact O-N 3.45Å
442	P	89.5	Confident	88.7	Confident	86 Å²	86	77.9 Å²	77.9	56%	0.558	40%	0.404	S	S	*	.	H	α-helix	trans	-50.4	-42.6	171.6	-28.9	30.9	0	0	0	114.6	N440 A446	N440-P442 WeakPolarHBondContact OD1-CD 3.49Å; P442-A446 WeakPolarHBondContact O-CB 3.47Å; P442-A446 PolarHBondContact O-N 3.14Å
443	D	89.4	Confident	88.7	Confident	86 Å²	86	72.6 Å²	72.6	46%	0.46	40%	0.395	S	S	.	.	H	α-helix	trans	-73.3	-39.5	-178.3	-62.3	-20.6	0	0	0	111.4	N440 K441 A446 L447	N440-D443 HydrophobicContact CB-CB 4.11Å; N440-D443 WeakPolarHBondContact CB-OD2 3.15Å; N440-D443 PolarHBondContact ND2-OD1 3.34Å; N440-D443 PolarHBondContact ND2-OD2 2.95Å; N440-D443 PolarHBondContact O-N 3.28Å; K441-D443 VanDerWaalsContact C-N 3.27Å; K441-D443 PolarHBondContact O-N 2.9Å; D443-A446 PolarHBondContact O-N 3.01Å; D443-L447 WeakPolarHBondContact O-CB 3.18Å; D443-L447 VanDerWaalsContact O-CG 3.29Å; D443-L447 WeakPolarHBondContact O-CG 3.42Å; D443-L447 PolarHBondContact O-N 3.45Å
444	V	91.8	Very high	88.8	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.006	37%	0.368	C	S	.	.	H	α-helix	trans	-62.9	-46.8	175.5	174.2	0	0	0	0	110.6	L391 L394 M427 N440 K441 L447 L448	L391-V444 HydrophobicContact CD2-CG1 4.01Å; L394-V444 HydrophobicContact CB-CG1 4.02Å; M427-V444 HydrophobicContact CE-CG2 3.6Å; N440-V444 WeakPolarHBondContact O-CG2 3.44Å; N440-V444 PolarHBondContact O-N 2.87Å; K441-V444 PolarHBondContact O-N 3.49Å; V444-L447 PolarHBondContact O-N 3.07Å; V444-L448 WeakPolarHBondContact O-CB 3.46Å; V444-L448 PolarHBondContact O-N 3.33Å
445	D	91.4	Very high	88.9	Confident	70 Å²	70	66.5 Å²	66.5	37%	0.374	37%	0.369	S	S	.	.	H	α-helix	trans	-69.1	-36.8	179.3	-65.2	-28.3	0	0	0	111.1	S395 K441 L448 S449	S395-D445 WeakPolarHBondContact CB-OD1 3.46Å; S395-D445 PolarHBondContact OG-OD1 3.4Å; K441-D445 WeakPolarHBondContact O-CB 3.29Å; K441-D445 VanDerWaalsContact O-CG 3.29Å; K441-D445 PolarHBondContact O-N 3.45Å; D445-L448 PolarHBondContact O-N 3.06Å; D445-S449 WeakPolarHBondContact O-CB 3.37Å; D445-S449 PolarHBondContact O-N 3.49Å
446	A	92.4	Very high	89	Confident	50 Å²	50	67.6 Å²	67.6	41%	0.413	39%	0.386	S	S	.	.	H	α-helix	trans	-61.4	-49.8	171.6	0	0	0	0	0	111.1	P442 D443 L448 S449 T450	P442-A446 WeakPolarHBondContact O-CB 3.47Å; P442-A446 PolarHBondContact O-N 3.14Å; D443-A446 PolarHBondContact O-N 3.01Å; A446-L448 VanDerWaalsContact C-N 3.34Å; A446-L448 PolarHBondContact O-N 3.36Å; A446-S449 PolarHBondContact O-N 2.91Å; A446-S449 PolarHBondContact O-OG 3.01Å; A446-T450 WeakPolarHBondContact O-CG2 3.38Å; A446-T450 PolarHBondContact O-N 3.49Å
447	L	91.1	Very high	89.2	Confident	65 Å²	65	68.2 Å²	68.2	34%	0.34	39%	0.393	S	S	.	.	H	α-helix	trans	-59.2	-44.3	175.3	-76.1	171.3	0	0	0	111.5	L391 M427 D443 V444 S449 T450	L391-L447 HydrophobicContact CD1-CB 4.03Å; L391-L447 HydrophobicContact CD2-CB 4.11Å; L391-L447 HydrophobicContact CD2-CD1 4.37Å; M427-L447 HydrophobicContact SD-CD1 3.93Å; D443-L447 WeakPolarHBondContact O-CB 3.18Å; D443-L447 VanDerWaalsContact O-CG 3.29Å; D443-L447 WeakPolarHBondContact O-CG 3.42Å; D443-L447 PolarHBondContact O-N 3.45Å; V444-L447 PolarHBondContact O-N 3.07Å; L447-S449 VanDerWaalsContact C-N 3.29Å; L447-S449 PolarHBondContact O-N 3.28Å; L447-T450 PolarHBondContact O-N 3.22Å; L447-T450 VanDerWaalsContact O-N 3.13Å; L447-T450 PolarHBondContact O-OG1 2.88Å
448	L	92	Very high	89.5	Confident	39 Å²	39	69.4 Å²	69.4	20%	0.204	40%	0.397	C	S	.	.	H	α-helix	trans	-60.9	-39.4	177.4	-175.3	58.9	0	0	0	111.4	F388 L391 V444 D445 A446 T450 I451	F388-L448 HydrophobicContact CD2-CD1 3.87Å; F388-L448 HydrophobicContact CE2-CD1 3.93Å; L391-L448 HydrophobicContact CB-CB 4.32Å; L391-L448 HydrophobicContact CB-CD1 3.98Å; V444-L448 WeakPolarHBondContact O-CB 3.46Å; V444-L448 PolarHBondContact O-N 3.33Å; D445-L448 PolarHBondContact O-N 3.06Å; A446-L448 VanDerWaalsContact C-N 3.34Å; A446-L448 PolarHBondContact O-N 3.36Å; L448-T450 VanDerWaalsContact C-N 3.28Å; L448-T450 PolarHBondContact O-N 2.92Å; L448-I451 PolarHBondContact O-N 3.01Å; L448-I451 VanDerWaalsContact O-N 3.13Å
449	S	91.5	Very high	90	Very high	96 Å²	96	67.1 Å²	67.1	67%	0.671	39%	0.388	S	S	*	.	H	α-helix	trans	-65.5	-26.8	176.9	80.3	0	0	0	0	113.8	D445 A446 L447 I451	D445-S449 WeakPolarHBondContact O-CB 3.37Å; D445-S449 PolarHBondContact O-N 3.49Å; A446-S449 PolarHBondContact O-N 2.91Å; A446-S449 PolarHBondContact O-OG 3.01Å; L447-S449 VanDerWaalsContact C-N 3.29Å; L447-S449 PolarHBondContact O-N 3.28Å; S449-I451 VanDerWaalsContact C-N 3.26Å; S449-I451 PolarHBondContact O-N 3.18Å
450	T	90.7	Very high	90.6	Very high	109 Å²	109	66.1 Å²	66.1	67%	0.669	38%	0.382	S	S	*	.	H	α-helix	trans	-71	-23.2	174.8	69.6	0	0	0	0	112.7	A446 L447 L448	A446-T450 WeakPolarHBondContact O-CG2 3.38Å; A446-T450 PolarHBondContact O-N 3.49Å; L447-T450 PolarHBondContact O-N 3.22Å; L447-T450 VanDerWaalsContact O-N 3.13Å; L447-T450 PolarHBondContact O-OG1 2.88Å; L448-T450 VanDerWaalsContact C-N 3.28Å; L448-T450 PolarHBondContact O-N 2.92Å
451	I	89.3	Confident	91.1	Very high	28 Å²	28	64.6 Å²	64.6	14%	0.144	37%	0.374	C	S	.	.	S	Bend	trans	-88.7	113.5	179.7	-56.1	178	0	0	0	108.2	R387 F388 L391 L448 S449 P453	R387-I451 HydrophobicContact CB-CD1 3.95Å; F388-I451 HydrophobicContact CB-CG2 4.48Å; F388-I451 HydrophobicContact CD2-CG2 4.07Å; L391-I451 HydrophobicContact CD1-CD1 3.62Å; L448-I451 PolarHBondContact O-N 3.01Å; L448-I451 VanDerWaalsContact O-N 3.13Å; S449-I451 VanDerWaalsContact C-N 3.26Å; S449-I451 PolarHBondContact O-N 3.18Å; I451-P453 WeakPolarHBondContact O-CD 3.42Å
452	K	86.7	Confident	91.2	Very high	161 Å²	161	65.6 Å²	65.6	70%	0.7	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-54.1	120.3	172.8	172.9	-179.7	-176.4	178.8	0	109.1	R384	R384-K452 PolarHBondContact NH2-O 3.21Å
453	P	88.4	Confident	91.5	Very high	86 Å²	86	66.8 Å²	66.8	56%	0.558	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-62.4	154.5	-177.3	25.2	-34.1	0	0	0	110.5	F388 I451	F388-P453 HydrophobicContact CE2-CB 4.39Å; I451-P453 WeakPolarHBondContact O-CD 3.42Å
454	P	88.8	Confident	91.8	Very high	31 Å²	31	64 Å²	64	20%	0.201	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-60.8	143.7	173.5	29.5	-35.6	0	0	0	110	F388 T456 C459	F388-P454 HydrophobicContact CE1-CG 3.98Å; F388-P454 HydrophobicContact CZ-CG 3.95Å; P454-T456 PolarHBondContact O-N 3.48Å; P454-C459 VanDerWaalsContact CG-SG 3.56Å
455	A	89.3	Confident	92	Very high	50 Å²	50	65 Å²	65	41%	0.413	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-64.7	134	173.5	0	0	0	0	0	108.6	D457 R458 C459	A455-D457 WeakPolarHBondContact CB-OD1 3.32Å; A455-D457 PolarHBondContact O-N 3.15Å; A455-R458 HydrophobicContact CB-CB 4.33Å; A455-R458 HydrophobicContact CB-CG 4.19Å; A455-R458 CarbonylContact O-C 3.5Å; A455-R458 WeakPolarHBondContact O-CA 3.36Å; A455-R458 PolarHBondContact O-N 2.72Å; A455-C459 PolarHBondContact O-N 2.63Å
456	T	89.4	Confident	92.1	Very high	124 Å²	124	68.5 Å²	68.5	76%	0.761	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-61.6	-32	-172.6	45.7	0	0	0	0	112.7	P454 R458	P454-T456 PolarHBondContact O-N 3.48Å; T456-R458 PolarHBondContact O-N 3.32Å
457	D	91.5	Very high	92.2	Very high	72 Å²	72	67.8 Å²	67.8	39%	0.385	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-75	-4.8	174.3	66.7	-36.8	0	0	0	113.5	A455	A455-D457 WeakPolarHBondContact CB-OD1 3.32Å; A455-D457 PolarHBondContact O-N 3.15Å
458	R	93.8	Very high	92.1	Very high	41 Å²	41	70.2 Å²	70.2	16%	0.155	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-121.4	12.9	179.2	-56.8	-63.1	174.3	-100.7	-2	112.8	F349 A455 T456	F349-R458 VanDerWaalsContact CE1-CD 3.5Å; F349-R458 VanDerWaalsContact CE1-NE 3.27Å; A455-R458 HydrophobicContact CB-CB 4.33Å; A455-R458 HydrophobicContact CB-CG 4.19Å; A455-R458 CarbonylContact O-C 3.5Å; A455-R458 WeakPolarHBondContact O-CA 3.36Å; A455-R458 PolarHBondContact O-N 2.72Å; T456-R458 PolarHBondContact O-N 3.32Å
459	C	94.9	Very high	91.6	Very high	32 Å²	32	70.5 Å²	70.5	22%	0.216	41%	0.41	C	S	.	.	S	Bend	trans	-93.7	141.4	167.7	-66.5	0	0	0	0	109.9	E355 P454 A455 D461	E355-C459 VanDerWaalsContact OE2-CA 3.31Å; E355-C459 WeakPolarHBondContact OE2-CA 3.34Å; P454-C459 VanDerWaalsContact CG-SG 3.56Å; A455-C459 PolarHBondContact O-N 2.63Å; C459-D461 PolarHBondContact O-N 3.4Å
460	I	96.5	Very high	90.8	Very high	19 Å²	19	72.9 Å²	72.9	10%	0.097	42%	0.415	C	S	.	.			trans	-71.5	125.4	172.6	-57.6	-57.7	0	0	0	110.1	Y252 F259 M352 E355 M356 I359	Y252-I460 HydrophobicContact CD2-CG2 4.29Å; Y252-I460 HydrophobicContact CE2-CG2 3.93Å; F259-I460 HydrophobicContact CD2-CD1 4.45Å; F259-I460 HydrophobicContact CE2-CD1 3.63Å; F259-I460 HydrophobicContact CZ-CD1 4.25Å; M352-I460 HydrophobicContact CE-CD1 3.6Å; M352-I460 HydrophobicContact CG-CD1 3.45Å; M352-I460 VanDerWaalsContact CG-CD1 3.45Å; M352-I460 HydrophobicContact CG-CG1 4.23Å; M352-I460 HydrophobicContact SD-CD1 4.39Å; E355-I460 HydrophobicContact CB-CG1 4.23Å; E355-I460 HydrophobicContact CG-CB 4.27Å; E355-I460 HydrophobicContact CG-CG1 4.02Å; E355-I460 PolarHBondContact OE2-N 3.13Å; M356-I460 HydrophobicContact CB-CD1 4.35Å; M356-I460 HydrophobicContact CB-CG1 4.26Å; M356-I460 HydrophobicContact CE-CD1 3.75Å; M356-I460 HydrophobicContact CE-CG1 4.29Å; M356-I460 HydrophobicContact CE-CG2 4.03Å; M356-I460 HydrophobicContact SD-CG2 4.46Å; I359-I460 HydrophobicContact CD1-CB 3.46Å; I359-I460 VanDerWaalsContact CD1-CB 3.46Å; I359-I460 HydrophobicContact CD1-CG1 4.06Å; I359-I460 HydrophobicContact CD1-CG2 3.42Å; I359-I460 VanDerWaalsContact CD1-CG2 3.42Å
461	D	95.3	Very high	89.2	Confident	45 Å²	45	72.1 Å²	72.1	24%	0.241	41%	0.41	C	S	.	.			trans	-90.3	109.7	171.1	-163.6	-32.2	0	0	0	110.1	Y252 K254 C459 T463 C464	Y252-D461 HydrophobicContact CE2-CB 4.35Å; Y252-D461 WeakPolarHBondContact CE2-O 3.37Å; K254-D461 HydrophobicContact CD-CB 3.9Å; K254-D461 IonicContact NZ-OD2 2.81Å; K254-D461 PolarHBondContact NZ-OD2 3.22Å; C459-D461 PolarHBondContact O-N 3.4Å; D461-T463 PolarHBondContact O-N 3.44Å; D461-T463 VanDerWaalsContact O-N 3.12Å; D461-T463 WeakPolarHBondContact OD1-CB 3.48Å; D461-T463 PolarHBondContact OD1-N 3.26Å; D461-T463 VanDerWaalsContact OD1-N 3.08Å; D461-T463 PolarHBondContact OD1-OG1 3.5Å; D461-C464 HydrophobicContact CB-CB 4.26Å; D461-C464 PolarHBondContact O-N 3.14Å
462	S	92.2	Very high	87.1	Confident	87 Å²	87	73.6 Å²	73.6	61%	0.608	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-62.4	-21.1	-178.2	54.3	0	0	0	0	113.2	C464 L465	S462-C464 VanDerWaalsContact C-N 3.3Å; S462-L465 PolarHBondContact O-N 2.95Å
463	T	94.4	Very high	84.7	Confident	110 Å²	110	71.2 Å²	71.2	68%	0.675	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-74.5	-22.5	177.3	67.9	0	0	0	0	112.8	D461	D461-T463 PolarHBondContact O-N 3.44Å; D461-T463 VanDerWaalsContact O-N 3.12Å; D461-T463 WeakPolarHBondContact OD1-CB 3.48Å; D461-T463 PolarHBondContact OD1-N 3.26Å; D461-T463 VanDerWaalsContact OD1-N 3.08Å; D461-T463 PolarHBondContact OD1-OG1 3.5Å
464	C	95.9	Very high	82.3	Confident	28 Å²	28	72.5 Å²	72.5	19%	0.189	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-91.8	0.4	176.3	-60.3	0	0	0	0	113.1	Y252 R253 K254 D461 S462	Y252-C464 WeakPolarHBondContact CA-O 3.3Å; Y252-C464 HydrophobicContact CD2-CB 3.95Å; Y252-C464 HydrophobicContact CE2-CB 3.69Å; R253-C464 WeakPolarHBondContact O-CB 3.33Å; K254-C464 HydrophobicContact CB-CB 4.46Å; D461-C464 HydrophobicContact CB-CB 4.26Å; D461-C464 PolarHBondContact O-N 3.14Å; S462-C464 VanDerWaalsContact C-N 3.3Å
465	L	96.5	Very high	79.7	Confident	22 Å²	22	75.5 Å²	75.5	12%	0.115	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-93.2	114.1	-179.4	-178.7	67	0	0	0	109.9	I251 Y252 M356 I359 L363 S462 W467	I251-L465 HydrophobicContact CD1-CD1 4.29Å; I251-L465 HydrophobicContact CG1-CD1 4.48Å; I251-L465 CarbonylContact O-C 3.4Å; I251-L465 WeakPolarHBondContact O-CD1 3.49Å; Y252-L465 HydrophobicContact CD2-CB 4.34Å; M356-L465 HydrophobicContact CE-CD1 4.08Å; M356-L465 HydrophobicContact SD-CD1 4.02Å; I359-L465 HydrophobicContact CG2-CD2 3.55Å; L363-L465 HydrophobicContact CD1-CD2 3.55Å; S462-L465 PolarHBondContact O-N 2.95Å; L465-W467 HydrophobicContact CD1-CB 3.97Å; L465-W467 HydrophobicContact CG-CB 4.09Å
466	H	94.6	Very high	77.1	Confident	144 Å²	144	80.8 Å²	80.8	67%	0.667	46%	0.462	S	S	*	.			trans	-107.2	78.7	176	-58.2	-61	0	0	0	109.1	I251	I251-H466 PolarHBondContact O-N 3.47Å
467	W	93.9	Very high	74.4	Confident	34 Å²	34	82.9 Å²	82.9	13%	0.129	47%	0.467	C	S	.	.			trans	-143.6	141.9	-176.2	-172.4	84.3	0	0	0	111.6	I251 E261 L360 L363 E364 L465 P469	I251-W467 HydrophobicContact CB-CB 4.32Å; E261-W467 PolarHBondContact OE2-NE1 3.4Å; L360-W467 HydrophobicContact CD2-CD2 3.53Å; L360-W467 HydrophobicContact CD2-CE3 3.67Å; L360-W467 HydrophobicContact CD2-CG 3.94Å; L360-W467 HydrophobicContact CD2-CH2 4.31Å; L360-W467 HydrophobicContact CD2-CZ2 4.22Å; L360-W467 HydrophobicContact CD2-CZ3 4.06Å; L363-W467 HydrophobicContact CB-CE3 4.15Å; L363-W467 HydrophobicContact CB-CZ3 3.82Å; L363-W467 HydrophobicContact CD1-CE3 3.88Å; L363-W467 HydrophobicContact CD1-CZ3 4.38Å; E364-W467 HydrophobicContact CG-CH2 3.55Å; E364-W467 HydrophobicContact CG-CZ3 4.01Å; L465-W467 HydrophobicContact CD1-CB 3.97Å; L465-W467 HydrophobicContact CG-CB 4.09Å; W467-P469 VanDerWaalsContact CH2-CA 3.48Å; W467-P469 HydrophobicContact CH2-CB 4.09Å; W467-P469 HydrophobicContact CH2-CG 4.11Å; W467-P469 HydrophobicContact CZ3-CB 4.19Å; W467-P469 HydrophobicContact CZ3-CG 3.7Å
468	T	87.8	Confident	71.5	Confident	117 Å²	117	84.2 Å²	84.2	72%	0.718	48%	0.482	S	S	*	.			trans	-131.4	138.3	175.6	51.9	0	0	0	0	110	N470	T468-N470 PolarHBondContact O-N 3.36Å
469	P	83.3	Confident	68.4	Low	45 Å²	45	91.1 Å²	91.1	29%	0.292	51%	0.513	S	S	.	.			trans	-53.5	138.6	175.6	-23.6	31.4	0	0	0	112	L363 E364 W467 V471	L363-P469 WeakPolarHBondContact O-CG 3.38Å; E364-P469 HydrophobicContact CG-CB 4.17Å; E364-P469 HydrophobicContact CG-CG 4.27Å; W467-P469 VanDerWaalsContact CH2-CA 3.48Å; W467-P469 HydrophobicContact CH2-CB 4.09Å; W467-P469 HydrophobicContact CH2-CG 4.11Å; W467-P469 HydrophobicContact CZ3-CB 4.19Å; W467-P469 HydrophobicContact CZ3-CG 3.7Å; P469-V471 HydrophobicContact CB-CG2 4.47Å; P469-V471 WeakPolarHBondContact O-CG2 3.36Å; P469-V471 PolarHBondContact O-N 2.77Å
470	N	73	Confident	65.3	Low	145 Å²	145	94.8 Å²	94.8	78%	0.775	54%	0.539	S	S	*	.			trans	-75.8	92.5	174	-154.6	-0.3	0	0	0	108.4	T468 S472	T468-N470 PolarHBondContact O-N 3.36Å; N470-S472 PolarHBondContact O-N 3.2Å
471	V	57	Low	62.3	Low	94 Å²	94	99.9 Å²	99.9	57%	0.57	57%	0.574	S	S	*	*			trans	-80.2	59.2	-180	-163.9	0	0	0	0	109.8	P469 N473 V474	P469-V471 HydrophobicContact CB-CG2 4.47Å; P469-V471 WeakPolarHBondContact O-CG2 3.36Å; P469-V471 PolarHBondContact O-N 2.77Å; V471-N473 PolarHBondContact O-N 3.46Å; V471-V474 HydrophobicContact CG1-CB 3.7Å; V471-V474 HydrophobicContact CG1-CG2 3.58Å
472	S	46.1	Very low	59.3	Low	58 Å²	58	103 Å²	103	41%	0.406	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.5	108.6	162.3	37.1	0	0	0	0	107.8	N470	N470-S472 PolarHBondContact O-N 3.2Å
473	N	37.1	Very low	56.2	Low	111 Å²	111	104.4 Å²	104.4	59%	0.594	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	98.1	28.2	169.4	-54.3	-29.5	0	0	0	120.6	V471	V471-N473 PolarHBondContact O-N 3.46Å
474	V	37.7	Very low	53.3	Low	114 Å²	114	104.2 Å²	104.2	69%	0.691	61%	0.612	S	S	*	*	S	Bend	trans	-92	-23.3	159.1	-175.8	0	0	0	0	112.2	V471 Q476	V471-V474 HydrophobicContact CG1-CB 3.7Å; V471-V474 HydrophobicContact CG1-CG2 3.58Å; V474-Q476 PolarHBondContact O-N 2.84Å
475	S	33.1	Very low	50	Low	94 Å²	94	109.2 Å²	109.2	66%	0.657	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	0.4	-174.9	56	0	0	0	0	116.2
476	Q	35	Very low	46.8	Very low	161 Å²	161	116 Å²	116	75%	0.752	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-2.4	173.7	-70	-159.1	7.7	0	0	114.9	V474	V474-Q476 PolarHBondContact O-N 2.84Å
477	L	32.5	Very low	43.6	Very low	168 Å²	168	114 Å²	114	88%	0.88	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-0.6	173.4	-105.8	88	0	0	0	114.8
478	S	30.1	Very low	40.6	Very low	99 Å²	99	120 Å²	120	69%	0.692	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	15.5	-179.4	73.8	0	0	0	0	115
479	K	29.6	Very low	37.6	Very low	186 Å²	186	119.5 Å²	119.5	81%	0.809	71%	0.714	S	S	*	*	S	Bend	trans	-100.4	93.1	165.7	-74.3	-172.9	179.1	-179.4	0	108.9
480	S	29.7	Very low	35.1	Very low	109 Å²	109	122.6 Å²	122.6	76%	0.762	74%	0.736	S	S	*	*			trans	-40	125.2	164.4	47.4	0	0	0	0	110.3	S482	S480-S482 PolarHBondContact O-N 3.48Å; S480-S482 VanDerWaalsContact O-N 3.15Å
481	P	34	Very low	32.8	Very low	127 Å²	127	121.8 Å²	121.8	83%	0.825	74%	0.737	S	S	*	*			trans	-70.9	114.2	-172.4	27.4	-32.1	0	0	0	109.5	S483	P481-S483 PolarHBondContact O-N 3.06Å
482	S	31.1	Very low	31.4	Very low	109 Å²	109	124.3 Å²	124.3	76%	0.762	75%	0.745	S	S	*	*			trans	-61.1	118.3	162	50.3	0	0	0	0	108.1	S480 S484	S480-S482 PolarHBondContact O-N 3.48Å; S480-S482 VanDerWaalsContact O-N 3.15Å; S482-S484 PolarHBondContact O-N 3.26Å
483	S	28.6	Very low	30.5	Very low	118 Å²	118	128.5 Å²	128.5	83%	0.825	76%	0.763	S	S	*	*			trans	-43.6	111	174.1	51.3	0	0	0	0	113	P481	P481-S483 PolarHBondContact O-N 3.06Å
484	S	31.7	Very low	30	Very low	105 Å²	105	131.9 Å²	131.9	73%	0.734	78%	0.775	S	S	*	*			trans	-142.7	98.7	156.7	59.1	0	0	0	0	109.2	S482 L486	S482-S484 PolarHBondContact O-N 3.26Å; S484-L486 PolarHBondContact O-N 3.27Å
485	T	26.9	Very low	29.6	Very low	134 Å²	134	136.3 Å²	136.3	82%	0.822	79%	0.786	S	S	*	*			trans	-57.3	111.3	171.9	-44.3	0	0	0	0	110.4
486	L	30.3	Very low	29.3	Very low	163 Å²	163	138.9 Å²	138.9	85%	0.853	79%	0.791	S	S	*	*			trans	-139	101.5	159.7	-79.5	173.9	0	0	0	109.5	S484	S484-L486 PolarHBondContact O-N 3.27Å
487	S	27.1	Very low	29	Very low	102 Å²	102	140.1 Å²	140.1	71%	0.713	80%	0.797	S	S	*	*			trans	-58.3	136.3	158.5	49.8	0	0	0	0	110.6
488	I	30.5	Very low	28.8	Very low	162 Å²	162	141.4 Å²	141.4	83%	0.831	80%	0.795	S	S	*	*			trans	-160.7	124.4	138.8	-89.5	138.2	0	0	0	108.3
489	S	24.9	Very low	28.6	Very low	106 Å²	106	141.6 Å²	141.6	74%	0.741	80%	0.797	S	S	*	*			trans	-67.8	140.6	167.4	51	0	0	0	0	112.5
490	S	30.6	Very low	28.3	Very low	110 Å²	110	138.3 Å²	138.3	77%	0.769	80%	0.797	S	S	*	*			trans	-178.3	116.3	130.2	34.6	0	0	0	0	112.3
491	T	25	Very low	28.1	Very low	127 Å²	127	140.6 Å²	140.6	78%	0.779	80%	0.8	S	S	*	*			trans	-10.3	135.3	142.7	-38	0	0	0	0	115.9
492	I	27.8	Very low	27.6	Very low	147 Å²	147	143.4 Å²	143.4	75%	0.754	80%	0.804	S	S	*	*				-180	120.2	125.5	-90.7	154.7	0	0	0	112.5
493	N	27.9	Very low	27.3	Very low	146 Å²	146	142.9 Å²	142.9	78%	0.781	80%	0.801	S	S	*	*			trans	63.6	97.7	144.4	-62	-19.5	0	0	0	122.4
494	Q	25.4	Very low	27.4	Very low	182 Å²	182	143.4 Å²	143.4	85%	0.85	80%	0.801	S	S	*	*			trans	-36.3	128.8	140.9	-63.7	168.9	-11.8	0	0	114.1
495	K	30	Very low	27.2	Very low	208 Å²	208	145.1 Å²	145.1	90%	0.904	80%	0.802	S	S	*	*			trans	-145.9	81.3	141.5	-98.7	-174.8	-178.1	178.8	0	108.7
496	L	26.8	Very low	27.3	Very low	147 Å²	147	145.9 Å²	145.9	77%	0.77	80%	0.801	S	S	*	*			trans	-84.1	103.8	171.8	-92.3	149.6	0	0	0	109.2	K498	L496-K498 PolarHBondContact O-N 3.09Å
497	H	28.9	Very low	27.2	Very low	188 Å²	188	142.5 Å²	142.5	87%	0.87	79%	0.791	S	S	*	*			trans	-78.6	101.1	156.8	-97	-83.8	0	0	0	108.1	S499	H497-S499 PolarHBondContact O-N 3.02Å
498	K	27.7	Very low	27.5	Very low	194 Å²	194	140.2 Å²	140.2	84%	0.843	77%	0.77	S	S	*	*			trans	-72.1	107.2	169.5	-77.2	177.7	174.1	177.6	0	108.9	L496	L496-K498 PolarHBondContact O-N 3.09Å
499	S	26.4	Very low	27.5	Very low	104 Å²	104	134.2 Å²	134.2	73%	0.727	75%	0.748	S	S	*	*			trans	-99.6	118.1	153.3	52.9	0	0	0	0	107.9	H497 L501	H497-S499 PolarHBondContact O-N 3.02Å; S499-L501 PolarHBondContact O-N 3.42Å
500	S	23.5	Very low	27.9	Very low	117 Å²	117	129.4 Å²	129.4	82%	0.818	72%	0.715	S	S	*	*			trans	-68.7	107.6	-179.9	50.4	0	0	0	0	110.7
501	L	26.1	Very low	27.8	Very low	157 Å²	157	129.5 Å²	129.5	82%	0.822	71%	0.707	S	S	*	*			trans	-115.2	114.8	158.4	-93.9	130	0	0	0	107.3	S499 S503	S499-L501 PolarHBondContact O-N 3.42Å; L501-S503 PolarHBondContact O-N 2.92Å
502	M	22.8	Very low	28.4	Very low	186 Å²	186	130.4 Å²	130.4	92%	0.916	71%	0.705	S	S	*	*			trans	-61.1	130	-178.7	-65.9	-179.3	76.7	0	0	110.6
503	S	25.4	Very low	28.4	Very low	98 Å²	98	129.6 Å²	129.6	69%	0.685	70%	0.703	S	S	*	*			trans	-70	125.9	174.4	-44.3	0	0	0	0	110.6	L501 N505	L501-S503 PolarHBondContact O-N 2.92Å; S503-N505 VanDerWaalsContact C-N 3.27Å; S503-N505 PolarHBondContact O-N 2.73Å; S503-N505 VanDerWaalsContact O-N 3.11Å
504	P	30	Very low	28.4	Very low	128 Å²	128	128.7 Å²	128.7	83%	0.831	70%	0.699	S	S	*	*			trans	-84.2	78	164.7	23.9	-12.2	0	0	0	108.5
505	N	27.5	Very low	28.6	Very low	141 Å²	141	125.7 Å²	125.7	75%	0.754	69%	0.69	S	S	*	*			trans	-82.2	103.9	155	-83.3	-11	0	0	0	105.8	S503	S503-N505 VanDerWaalsContact C-N 3.27Å; S503-N505 PolarHBondContact O-N 2.73Å; S503-N505 VanDerWaalsContact O-N 3.11Å
506	D	28.7	Very low	28.5	Very low	150 Å²	150	120.9 Å²	120.9	80%	0.802	68%	0.678	S	S	*	*			trans	-163	133.6	136.3	-92.9	-28.9	0	0	0	110.4	I508	D506-I508 PolarHBondContact O-N 2.68Å
507	S	28.8	Very low	28.6	Very low	92 Å²	92	119.3 Å²	119.3	64%	0.643	67%	0.672	S	S	*	*			trans	-78.5	88.6	-172.8	34.6	0	0	0	0	109.1	G509	S507-G509 PolarHBondContact O-N 3.04Å
508	I	31.9	Very low	28.6	Very low	54 Å²	54	114.7 Å²	114.7	28%	0.277	66%	0.659	S	S	.	*			trans	-66.6	105.5	171.7	-53.8	173.9	0	0	0	107.9	R405 Y435 D506	R405-I508 PolarHBondContact NH2-O 2.83Å; Y435-I508 HydrophobicContact CD2-CD1 4.31Å; Y435-I508 HydrophobicContact CD2-CG2 4.44Å; D506-I508 PolarHBondContact O-N 2.68Å
509	G	30.6	Very low	28.6	Very low	36 Å²	36	109 Å²	109	37%	0.371	65%	0.645	S	S	.	*			trans	-104.6	106.8	161.9	0	0	0	0	0	107.1	S507 N511	S507-G509 PolarHBondContact O-N 3.04Å; G509-N511 PolarHBondContact O-N 3.23Å
510	A	33.8	Very low	28.8	Very low	5 Å²	5	109.4 Å²	109.4	4%	0.041	64%	0.639	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.8	109.4	175.6	0	0	0	0	0	108.8	I402 Y435	I402-A510 PolarHBondContact N-O 3.3Å; I402-A510 WeakPolarHBondContact O-CB 3.17Å; Y435-A510 WeakPolarHBondContact O-CB 3.38Å
511	N	28.1	Very low	29.3	Very low	112 Å²	112	108.8 Å²	108.8	60%	0.599	62%	0.624	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90	150.1	158.5	-78.4	-31.1	0	0	0	108	S401 Y436 G509	S401-N511 WeakPolarHBondContact CB-OD1 3.26Å; Y436-N511 WeakPolarHBondContact CD1-O 3.03Å; Y436-N511 WeakPolarHBondContact CE1-O 3.27Å; G509-N511 PolarHBondContact O-N 3.23Å
512	I	37.4	Very low	29.5	Very low	146 Å²	146	104.4 Å²	104.4	75%	0.749	61%	0.606	S	S	*	*			trans	-64.4	0	-177.7	-69	-177.7	0	0	0	111.9	K400 Y436	K400-I512 WeakPolarHBondContact O-CD1 3.49Å; K400-I512 WeakPolarHBondContact O-CG1 2.94Å; Y436-I512 WeakPolarHBondContact CD1-OXT 3.28Å

Retrieved 512 of 512 residues in 120.6 ms (Link to these results)

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