A0A087XCQ9_POEFO Loading...

Glutaminyl-peptide cyclotransferase

AlphaFold DB , UniProt , Accession A0A087XCQ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 375 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	36.8	Very low	43	Very low	231 Å²	231	144.7 Å²	144.7	100%	1.138	82%	0.823	S	S	*	*				0	103.2	0	-82.2	163.1	82	0	0	106.8
2	W	32.7	Very low	43.2	Very low	224 Å²	224	150.1 Å²	150.1	85%	0.848	82%	0.82	S	S	*	*				66.5	131.2	101.4	-83.7	46.2	0	0	0	112.4
3	K	37.6	Very low	43.4	Very low	164 Å²	164	145.3 Å²	145.3	71%	0.713	81%	0.805	S	S	*	*			cis	-173.6	147.4	-10.5	-119.9	178.3	-173.6	176.9	0	103.9
4	G	43.3	Very low	43.7	Very low	79 Å²	79	144.4 Å²	144.4	81%	0.814	79%	0.791	S	S	*	*			trans	-63.6	157.9	-178.8	0	0	0	0	0	115
5	A	38.3	Very low	44.1	Very low	107 Å²	107	147.9 Å²	147.9	88%	0.884	79%	0.788	S	S	*	*			trans	-101.7	118.4	171.7	0	0	0	0	0	109.5
6	T	46.9	Very low	44.6	Very low	127 Å²	127	144.6 Å²	144.6	78%	0.779	77%	0.769	S	S	*	*			trans	-127.9	131.9	166.8	34.8	0	0	0	0	110.7
7	T	49.3	Very low	45	Very low	138 Å²	138	140.3 Å²	140.3	85%	0.847	75%	0.753	S	S	*	*			trans	60.9	111	144.2	53.8	0	0	0	0	120.5
8	S	46.3	Very low	45.5	Very low	113 Å²	113	137.6 Å²	137.6	79%	0.79	74%	0.738	S	S	*	*			trans	-149.9	67.6	159.4	180	0	0	0	0	110.9
9	M	47.5	Very low	45.8	Very low	181 Å²	181	136.6 Å²	136.6	89%	0.892	73%	0.73	S	S	*	*	S	Bend	trans	-131.2	-11.3	170.7	-77.8	-166.4	-169.1	0	0	114.4
10	A	46.8	Very low	46.1	Very low	79 Å²	79	139.2 Å²	139.2	65%	0.653	73%	0.729	S	S	*	*	S	Bend	trans	-81.4	-30.4	-175.2	0	0	0	0	0	114.5	R12	A10-R12 PolarHBondContact O-N 2.93Å
11	E	47.1	Very low	46.4	Very low	149 Å²	149	136.1 Å²	136.1	70%	0.696	72%	0.719	S	S	*	*	H	α-helix	trans	-76.1	-24.8	-171.6	-71	-175.5	149.7	0	0	114.6	R15	E11-R15 PolarHBondContact O-N 3.27Å
12	R	45.7	Very low	47.2	Very low	209 Å²	209	132.1 Å²	132.1	79%	0.789	70%	0.695	S	S	*	*	H	α-helix	trans	-75.9	-30.8	-174.3	-154.3	174.5	-174.9	-174.6	1.3	112.8	A10 I16	A10-R12 PolarHBondContact O-N 2.93Å; R12-I16 WeakPolarHBondContact O-CD1 3.18Å; R12-I16 WeakPolarHBondContact O-CG1 3.3Å
13	S	46.3	Very low	48.2	Very low	88 Å²	88	128.4 Å²	128.4	62%	0.615	68%	0.682	S	S	*	*	H	α-helix	trans	-70.9	-41.5	177.1	179.7	0	0	0	0	111.9	R15 I16 S17	S13-R15 PolarHBondContact O-N 3.29Å; S13-I16 PolarHBondContact O-N 2.98Å; S13-S17 PolarHBondContact O-N 3.33Å; S13-S17 VanDerWaalsContact O-N 3.13Å
14	Q	48	Very low	49.1	Very low	133 Å²	133	123.7 Å²	123.7	62%	0.621	67%	0.674	S	S	*	*	H	α-helix	trans	-67.8	-38.2	-177.1	-136.9	169.7	-3.4	0	0	112.3	I16 S17 I18	Q14-I16 PolarHBondContact O-N 3.31Å; Q14-S17 PolarHBondContact O-N 2.99Å; Q14-I18 VanDerWaalsContact O-CG1 3.3Å; Q14-I18 WeakPolarHBondContact O-CG1 3.36Å; Q14-I18 PolarHBondContact O-N 3.11Å
15	R	49.1	Very low	49.8	Very low	197 Å²	197	122.9 Å²	122.9	74%	0.743	66%	0.659	S	S	*	*	H	α-helix	trans	-63.8	-39	174.8	-77.6	-169.4	-175.3	-159.6	2.7	113.1	E11 S13 M19	E11-R15 PolarHBondContact O-N 3.27Å; S13-R15 PolarHBondContact O-N 3.29Å; R15-M19 WeakPolarHBondContact O-CB 3.49Å; R15-M19 PolarHBondContact O-N 3.21Å
16	I	51.8	Low	50.6	Low	94 Å²	94	123 Å²	123	48%	0.482	65%	0.645	S	S	.	*	H	α-helix	trans	-69.3	-37.7	178.6	-64	167.9	0	0	0	110.6	R12 S13 Q14 R20	R12-I16 WeakPolarHBondContact O-CD1 3.18Å; R12-I16 WeakPolarHBondContact O-CG1 3.3Å; S13-I16 PolarHBondContact O-N 2.98Å; Q14-I16 PolarHBondContact O-N 3.31Å; I16-R20 WeakPolarHBondContact O-CG 3.3Å; I16-R20 PolarHBondContact O-N 3.28Å; I16-R20 VanDerWaalsContact O-N 3.08Å
17	S	52.1	Low	51	Low	72 Å²	72	121.6 Å²	121.6	50%	0.503	63%	0.631	S	S	.	*	H	α-helix	trans	-65.5	-43.8	175.9	-166.4	0	0	0	0	112.1	S13 Q14 R20 S21	S13-S17 PolarHBondContact O-N 3.33Å; S13-S17 VanDerWaalsContact O-N 3.13Å; Q14-S17 PolarHBondContact O-N 2.99Å; S17-R20 PolarHBondContact O-N 3.47Å; S17-S21 PolarHBondContact O-N 3.2Å; S17-S21 VanDerWaalsContact O-N 3.08Å; S17-S21 PolarHBondContact O-OG 2.83Å
18	I	53.1	Low	51.1	Low	91 Å²	91	116.2 Å²	116.2	47%	0.467	60%	0.604	S	S	.	*	H	α-helix	trans	-65.9	-42.6	178.1	-66.9	165.4	0	0	0	110.6	Q14 R20 S21 F22	Q14-I18 VanDerWaalsContact O-CG1 3.3Å; Q14-I18 WeakPolarHBondContact O-CG1 3.36Å; Q14-I18 PolarHBondContact O-N 3.11Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 3.37Å; I18-S21 PolarHBondContact O-N 3.28Å; I18-F22 HydrophobicContact CG2-CD2 3.72Å; I18-F22 HydrophobicContact CG2-CE2 3.74Å; I18-F22 WeakPolarHBondContact O-CD2 3.49Å; I18-F22 PolarHBondContact O-N 2.93Å
19	M	51.9	Low	51.2	Low	120 Å²	120	115.7 Å²	115.7	59%	0.591	59%	0.591	S	S	*	*	H	α-helix	trans	-62.9	-39	178	-133.7	177.6	85.5	0	0	112.2	R15 F22 Y23	R15-M19 WeakPolarHBondContact O-CB 3.49Å; R15-M19 PolarHBondContact O-N 3.21Å; M19-F22 PolarHBondContact O-N 3.1Å; M19-Y23 HydrophobicContact CE-CE2 4.32Å; M19-Y23 WeakPolarHBondContact O-CD2 3.45Å; M19-Y23 PolarHBondContact O-N 2.94Å
20	R	51	Low	51.3	Low	188 Å²	188	110.5 Å²	110.5	71%	0.709	57%	0.57	S	S	*	*	H	α-helix	trans	-66.1	-37.5	174.5	-76	-180	173.4	-169.4	-2.2	112.5	I16 S17 I18 Y23 A24	I16-R20 WeakPolarHBondContact O-CG 3.3Å; I16-R20 PolarHBondContact O-N 3.28Å; I16-R20 VanDerWaalsContact O-N 3.08Å; S17-R20 PolarHBondContact O-N 3.47Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 3.37Å; R20-Y23 PolarHBondContact O-N 3.17Å; R20-A24 WeakPolarHBondContact O-CB 3.47Å; R20-A24 PolarHBondContact O-N 3.1Å
21	S	53.2	Low	51.3	Low	74 Å²	74	113.8 Å²	113.8	52%	0.517	57%	0.57	S	S	.	*	H	α-helix	trans	-67.1	-36.9	174.5	-56.3	0	0	0	0	112.6	S17 I18 A25	S17-S21 PolarHBondContact O-N 3.2Å; S17-S21 VanDerWaalsContact O-N 3.08Å; S17-S21 PolarHBondContact O-OG 2.83Å; I18-S21 PolarHBondContact O-N 3.28Å; S21-A25 VanDerWaalsContact O-CB 3.22Å; S21-A25 WeakPolarHBondContact O-CB 3.44Å; S21-A25 PolarHBondContact O-N 3.36Å
22	F	54	Low	51.3	Low	148 Å²	148	111.8 Å²	111.8	65%	0.649	56%	0.563	S	S	*	*	H	α-helix	trans	-67.7	-41.3	173.6	-91.5	-81.3	0	0	0	112.5	I18 M19 A25 L26	I18-F22 HydrophobicContact CG2-CD2 3.72Å; I18-F22 HydrophobicContact CG2-CE2 3.74Å; I18-F22 WeakPolarHBondContact O-CD2 3.49Å; I18-F22 PolarHBondContact O-N 2.93Å; M19-F22 PolarHBondContact O-N 3.1Å; F22-A25 PolarHBondContact O-N 3.44Å; F22-L26 VanDerWaalsContact O-CB 3.29Å; F22-L26 WeakPolarHBondContact O-CB 3.39Å; F22-L26 PolarHBondContact O-N 3.25Å
23	Y	53.5	Low	51.3	Low	146 Å²	146	108 Å²	108	57%	0.573	56%	0.558	S	S	*	*	H	α-helix	trans	-67.7	-39.1	174.9	-91.9	-86.8	0	0	0	112.2	M19 R20 L26 I27	M19-Y23 HydrophobicContact CE-CE2 4.32Å; M19-Y23 WeakPolarHBondContact O-CD2 3.45Å; M19-Y23 PolarHBondContact O-N 2.94Å; R20-Y23 PolarHBondContact O-N 3.17Å; Y23-L26 PolarHBondContact O-N 3.49Å; Y23-I27 VanDerWaalsContact O-CB 3.28Å; Y23-I27 WeakPolarHBondContact O-CB 3.37Å; Y23-I27 WeakPolarHBondContact O-CD1 3.44Å; Y23-I27 WeakPolarHBondContact O-CG1 3.27Å; Y23-I27 PolarHBondContact O-N 3.2Å
24	A	55.5	Low	51.3	Low	64 Å²	64	111.5 Å²	111.5	53%	0.529	56%	0.564	S	S	.	*	H	α-helix	trans	-66.8	-36.8	174.3	0	0	0	0	0	112.3	R20 G28	R20-A24 WeakPolarHBondContact O-CB 3.47Å; R20-A24 PolarHBondContact O-N 3.1Å; A24-G28 WeakPolarHBondContact O-CA 3.36Å; A24-G28 PolarHBondContact O-N 2.97Å
25	A	57.5	Low	51.2	Low	62 Å²	62	109.5 Å²	109.5	51%	0.512	56%	0.561	S	S	.	*	H	α-helix	trans	-70.3	-37.4	174.1	0	0	0	0	0	112.2	S21 F22 G28 L29	S21-A25 VanDerWaalsContact O-CB 3.22Å; S21-A25 WeakPolarHBondContact O-CB 3.44Å; S21-A25 PolarHBondContact O-N 3.36Å; F22-A25 PolarHBondContact O-N 3.44Å; A25-G28 PolarHBondContact O-N 3.31Å; A25-L29 VanDerWaalsContact O-CB 3.25Å; A25-L29 WeakPolarHBondContact O-CB 3.34Å; A25-L29 PolarHBondContact O-N 2.88Å
26	L	55.1	Low	51.6	Low	110 Å²	110	107.4 Å²	107.4	58%	0.576	56%	0.559	S	S	*	*	H	α-helix	trans	-70.7	-42.6	176.4	-161.5	79.9	0	0	0	111.4	F22 Y23 G28 L29 T30	F22-L26 VanDerWaalsContact O-CB 3.29Å; F22-L26 WeakPolarHBondContact O-CB 3.39Å; F22-L26 PolarHBondContact O-N 3.25Å; Y23-L26 PolarHBondContact O-N 3.49Å; L26-G28 VanDerWaalsContact C-N 3.34Å; L26-L29 PolarHBondContact O-N 3.24Å; L26-T30 WeakPolarHBondContact O-CG2 3.5Å; L26-T30 PolarHBondContact O-N 3.14Å; L26-T30 PolarHBondContact O-OG1 3.36Å; L26-T30 VanDerWaalsContact O-OG1 3.05Å
27	I	56.6	Low	52.5	Low	97 Å²	97	106 Å²	106	50%	0.497	57%	0.568	S	S	.	*	H	α-helix	trans	-63.5	-42.8	173	-68.3	165.2	0	0	0	109.8	Y23 T30 F31	Y23-I27 VanDerWaalsContact O-CB 3.28Å; Y23-I27 WeakPolarHBondContact O-CB 3.37Å; Y23-I27 WeakPolarHBondContact O-CD1 3.44Å; Y23-I27 WeakPolarHBondContact O-CG1 3.27Å; Y23-I27 PolarHBondContact O-N 3.2Å; I27-T30 VanDerWaalsContact CA-OG1 3.28Å; I27-T30 WeakPolarHBondContact CA-OG1 3.37Å; I27-T30 PolarHBondContact O-N 3.45Å; I27-T30 PolarHBondContact O-OG1 2.86Å; I27-F31 WeakPolarHBondContact O-CB 3.45Å; I27-F31 PolarHBondContact O-N 2.86Å
28	G	50.7	Low	53.9	Low	26 Å²	26	104.9 Å²	104.9	27%	0.268	56%	0.558	S	S	.	*	H	α-helix	trans	-62.8	-39.3	174.1	0	0	0	0	0	113	A24 A25 L26 F31 I32	A24-G28 WeakPolarHBondContact O-CA 3.36Å; A24-G28 PolarHBondContact O-N 2.97Å; A25-G28 PolarHBondContact O-N 3.31Å; L26-G28 VanDerWaalsContact C-N 3.34Å; G28-F31 PolarHBondContact O-N 3.49Å; G28-I32 WeakPolarHBondContact O-CB 3.34Å; G28-I32 WeakPolarHBondContact O-CD1 3.32Å; G28-I32 WeakPolarHBondContact O-CG1 3.34Å; G28-I32 PolarHBondContact O-N 2.69Å
29	L	48.7	Very low	55.7	Low	101 Å²	101	103.8 Å²	103.8	53%	0.529	56%	0.556	S	S	.	*	H	α-helix	trans	-69.8	-39	175.9	-157.4	79.5	0	0	0	111.3	A25 L26 F31 I32 L33	A25-L29 VanDerWaalsContact O-CB 3.25Å; A25-L29 WeakPolarHBondContact O-CB 3.34Å; A25-L29 PolarHBondContact O-N 2.88Å; L26-L29 PolarHBondContact O-N 3.24Å; L29-F31 VanDerWaalsContact C-N 3.32Å; L29-I32 PolarHBondContact O-N 2.94Å; L29-L33 HydrophobicContact CG-CD1 4.42Å; L29-L33 VanDerWaalsContact O-CB 3.29Å; L29-L33 WeakPolarHBondContact O-CB 3.46Å; L29-L33 WeakPolarHBondContact O-CD1 3.45Å; L29-L33 VanDerWaalsContact O-CG 3.24Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 3.45Å
30	T	49.5	Very low	57.8	Low	73 Å²	73	100.9 Å²	100.9	45%	0.448	54%	0.539	S	S	.	.	H	α-helix	trans	-68.2	-31.4	171.4	50.2	0	0	0	0	112.6	L26 I27 H34	L26-T30 WeakPolarHBondContact O-CG2 3.5Å; L26-T30 PolarHBondContact O-N 3.14Å; L26-T30 PolarHBondContact O-OG1 3.36Å; L26-T30 VanDerWaalsContact O-OG1 3.05Å; I27-T30 VanDerWaalsContact CA-OG1 3.28Å; I27-T30 WeakPolarHBondContact CA-OG1 3.37Å; I27-T30 PolarHBondContact O-N 3.45Å; I27-T30 PolarHBondContact O-OG1 2.86Å; T30-H34 VanDerWaalsContact O-CB 3.29Å; T30-H34 WeakPolarHBondContact O-CB 3.28Å; T30-H34 PolarHBondContact O-N 2.88Å; T30-H34 PolarHBondContact O-ND1 2.95Å; T30-H34 VanDerWaalsContact O-ND1 3.12Å
31	F	47.6	Very low	59.9	Low	147 Å²	147	93.4 Å²	93.4	65%	0.645	51%	0.514	S	S	*	.	H	α-helix	trans	-71.6	-44.4	174.2	-123.7	-95.2	0	0	0	111	I27 G28 L29 L33 H34 T35	I27-F31 WeakPolarHBondContact O-CB 3.45Å; I27-F31 PolarHBondContact O-N 2.86Å; G28-F31 PolarHBondContact O-N 3.49Å; L29-F31 VanDerWaalsContact C-N 3.32Å; F31-L33 VanDerWaalsContact C-N 3.3Å; F31-L33 PolarHBondContact O-N 2.66Å; F31-H34 CarbonylContact O-C 3.57Å; F31-H34 VanDerWaalsContact O-C 3.31Å; F31-H34 WeakPolarHBondContact O-CA 3.32Å; F31-H34 PolarHBondContact O-N 2.77Å; F31-T35 WeakPolarHBondContact O-CG2 3.1Å; F31-T35 PolarHBondContact O-N 3.23Å
32	I	46.9	Very low	62	Low	108 Å²	108	94.1 Å²	94.1	55%	0.554	51%	0.51	S	S	*	.	H	α-helix	trans	-66	-33.1	175.9	-67.4	163	0	0	0	111.1	G28 L29 H34 T35	G28-I32 WeakPolarHBondContact O-CB 3.34Å; G28-I32 WeakPolarHBondContact O-CD1 3.32Å; G28-I32 WeakPolarHBondContact O-CG1 3.34Å; G28-I32 PolarHBondContact O-N 2.69Å; L29-I32 PolarHBondContact O-N 2.94Å; I32-H34 VanDerWaalsContact C-N 3.29Å; I32-T35 WeakPolarHBondContact CA-OG1 3.45Å; I32-T35 PolarHBondContact O-OG1 3.4Å
33	L	44.9	Very low	64	Low	130 Å²	130	90 Å²	90	68%	0.681	49%	0.492	S	S	*	.	H	α-helix	trans	-73.4	-18.8	169.7	-73.9	163.5	0	0	0	113	L29 F31	L29-L33 HydrophobicContact CG-CD1 4.42Å; L29-L33 VanDerWaalsContact O-CB 3.29Å; L29-L33 WeakPolarHBondContact O-CB 3.46Å; L29-L33 WeakPolarHBondContact O-CD1 3.45Å; L29-L33 VanDerWaalsContact O-CG 3.24Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 3.45Å; F31-L33 VanDerWaalsContact C-N 3.3Å; F31-L33 PolarHBondContact O-N 2.66Å
34	H	46.4	Very low	66	Low	160 Å²	160	84.2 Å²	84.2	74%	0.741	47%	0.47	S	S	*	.	H	α-helix	trans	-99.7	-3	175.5	-89.5	67.1	0	0	0	114	T30 F31 I32 H36	T30-H34 VanDerWaalsContact O-CB 3.29Å; T30-H34 WeakPolarHBondContact O-CB 3.28Å; T30-H34 PolarHBondContact O-N 2.88Å; T30-H34 PolarHBondContact O-ND1 2.95Å; T30-H34 VanDerWaalsContact O-ND1 3.12Å; F31-H34 CarbonylContact O-C 3.57Å; F31-H34 VanDerWaalsContact O-C 3.31Å; F31-H34 WeakPolarHBondContact O-CA 3.32Å; F31-H34 PolarHBondContact O-N 2.77Å; I32-H34 VanDerWaalsContact C-N 3.29Å; H34-H36 VanDerWaalsContact C-N 3.33Å
35	T	46.3	Very low	68	Low	92 Å²	92	86.5 Å²	86.5	56%	0.564	47%	0.473	S	S	*	.	S	Bend	trans	-79.6	-16.1	178.3	43.1	0	0	0	0	113.5	F31 I32	F31-T35 WeakPolarHBondContact O-CG2 3.1Å; F31-T35 PolarHBondContact O-N 3.23Å; I32-T35 WeakPolarHBondContact CA-OG1 3.45Å; I32-T35 PolarHBondContact O-OG1 3.4Å
36	H	58.1	Low	69.8	Low	153 Å²	153	91.9 Å²	91.9	71%	0.708	48%	0.48	S	S	*	.	S	Bend	trans	-86.3	114.4	171.2	-63.8	-74	0	0	0	107.6	H34	H34-H36 VanDerWaalsContact C-N 3.33Å
37	G	70.1	Confident	71.8	Confident	64 Å²	64	88 Å²	88	66%	0.66	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-53.3	170.3	169.1	0	0	0	0	0	111.3
38	V	81.1	Confident	73.6	Confident	49 Å²	49	93.6 Å²	93.6	30%	0.297	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-54.9	127.7	175.8	-176	0	0	0	0	108.7	W40 E42	V38-W40 PolarHBondContact O-N 3.01Å; V38-E42 HydrophobicContact CG1-CB 3.73Å
39	P	92	Very high	75.7	Confident	67 Å²	67	93 Å²	93	44%	0.435	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-53.1	138.8	173.6	-25.2	34	0	0	0	109.9	T41 E42 E43	P39-T41 PolarHBondContact O-N 3.23Å; P39-T41 VanDerWaalsContact O-N 3.07Å; P39-E42 HydrophobicContact CB-CG 4.4Å; P39-E42 WeakPolarHBondContact O-CA 3.27Å; P39-E42 WeakPolarHBondContact O-CB 3.45Å; P39-E42 PolarHBondContact O-N 3.33Å; P39-E43 PolarHBondContact O-N 2.86Å
40	W	94.4	Very high	77.9	Confident	59 Å²	59	89.4 Å²	89.4	22%	0.223	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-56.7	-33.2	-174.3	74.8	-98.4	0	0	0	111.9	V38 E42 E43 T136 R137 H230 T237 H241	V38-W40 PolarHBondContact O-N 3.01Å; W40-E42 PolarHBondContact O-N 2.92Å; W40-E43 WeakPolarHBondContact O-CB 3.3Å; W40-E43 WeakPolarHBondContact O-CG 3.41Å; W40-E43 PolarHBondContact O-N 2.7Å; W40-T136 WeakPolarHBondContact CH2-O 3.3Å; W40-T136 WeakPolarHBondContact CZ3-O 3.44Å; W40-R137 HydrophobicContact CE3-CG 3.78Å; W40-R137 HydrophobicContact CZ3-CG 3.86Å; W40-H230 WeakPolarHBondContact CZ2-O 3.38Å; W40-T237 HydrophobicContact CZ2-CG2 4.02Å; W40-H241 HydrophobicContact CH2-CB 4.06Å; W40-H241 HydrophobicContact CZ2-CB 4.46Å
41	T	95.8	Very high	80.2	Confident	32 Å²	32	92.3 Å²	92.3	20%	0.196	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-64.9	-22.9	176.9	57.1	0	0	0	0	113.7	P39 K44 T237 H241	P39-T41 PolarHBondContact O-N 3.23Å; P39-T41 VanDerWaalsContact O-N 3.07Å; T41-K44 VanDerWaalsContact O-CE 3.24Å; T41-K44 WeakPolarHBondContact O-CE 3.45Å; T41-T237 HydrophobicContact CG2-CG2 3.66Å; T41-H241 HydrophobicContact CG2-CB 3.77Å
42	E	96.3	Very high	82.6	Confident	89 Å²	89	85.5 Å²	85.5	42%	0.416	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-95.5	-9.2	177.6	-67.7	-171.8	-176.5	0	0	113.2	V38 P39 W40 K44 L45	V38-E42 HydrophobicContact CG1-CB 3.73Å; P39-E42 HydrophobicContact CB-CG 4.4Å; P39-E42 WeakPolarHBondContact O-CA 3.27Å; P39-E42 WeakPolarHBondContact O-CB 3.45Å; P39-E42 PolarHBondContact O-N 3.33Å; W40-E42 PolarHBondContact O-N 2.92Å; E42-K44 PolarHBondContact O-N 3.33Å; E42-K44 VanDerWaalsContact O-N 3.13Å; E42-L45 HydrophobicContact CB-CD1 4.46Å; E42-L45 VanDerWaalsContact O-CB 3.32Å; E42-L45 WeakPolarHBondContact O-CB 3.19Å; E42-L45 PolarHBondContact O-N 2.7Å
43	E	96.6	Very high	85.1	Confident	60 Å²	60	82.9 Å²	82.9	28%	0.28	42%	0.415	S	S	.	.	H	α-helix	trans	-57.1	-32.4	179.4	-70.2	178.1	-179.4	0	0	112.1	P39 W40 L45 R46 H47 R137	P39-E43 PolarHBondContact O-N 2.86Å; W40-E43 WeakPolarHBondContact O-CB 3.3Å; W40-E43 WeakPolarHBondContact O-CG 3.41Å; W40-E43 PolarHBondContact O-N 2.7Å; E43-L45 PolarHBondContact O-N 3.11Å; E43-R46 CarbonylContact O-C 3.53Å; E43-R46 PolarHBondContact O-N 3.37Å; E43-H47 PolarHBondContact O-N 3.33Å; E43-R137 VanDerWaalsContact CB-NH1 3.25Å; E43-R137 WeakPolarHBondContact OE2-CD 3.25Å; E43-R137 IonicContact OE2-CZ 3.04Å; E43-R137 IonicContact OE2-NE 2.85Å; E43-R137 IonicContact OE2-NH1 3.23Å; E43-R137 PolarHBondContact OE2-NH1 3.43Å
44	K	96.4	Very high	87.6	Confident	25 Å²	25	82 Å²	82	11%	0.109	41%	0.408	C	S	.	.	H	α-helix	trans	-57.4	-26.9	174.1	68.7	-168.1	171.6	-164.2	0	114.2	T41 E42 R46 H241 M243 D244 R318	T41-K44 VanDerWaalsContact O-CE 3.24Å; T41-K44 WeakPolarHBondContact O-CE 3.45Å; E42-K44 PolarHBondContact O-N 3.33Å; E42-K44 VanDerWaalsContact O-N 3.13Å; K44-R46 VanDerWaalsContact C-N 3.31Å; K44-H241 PolarHBondContact NZ-O 2.66Å; K44-M243 PolarHBondContact NZ-O 3.25Å; K44-D244 HydrophobicContact CB-CB 4.39Å; K44-D244 VanDerWaalsContact CB-OD1 3.25Å; K44-D244 WeakPolarHBondContact CB-OD1 3.41Å; K44-R318 PolarHBondContact O-NH1 3.47Å
45	L	96.4	Very high	90	Very high	113 Å²	113	79.2 Å²	79.2	59%	0.592	40%	0.398	S	S	*	.	H	α-helix	trans	-75.9	-22.6	177.2	-56.7	-179.6	0	0	0	112.3	E42 E43	E42-L45 HydrophobicContact CB-CD1 4.46Å; E42-L45 VanDerWaalsContact O-CB 3.32Å; E42-L45 WeakPolarHBondContact O-CB 3.19Å; E42-L45 PolarHBondContact O-N 2.7Å; E43-L45 PolarHBondContact O-N 3.11Å
46	R	95.2	Very high	92.4	Very high	174 Å²	174	75.9 Å²	75.9	66%	0.657	38%	0.376	S	S	*	.	H	α-helix	trans	-109.3	-5.4	-179.2	-57.9	-173.9	-174.7	-166.2	3.8	113.2	E43 K44 R48	E43-R46 CarbonylContact O-C 3.53Å; E43-R46 PolarHBondContact O-N 3.37Å; K44-R46 VanDerWaalsContact C-N 3.31Å; R46-R48 PolarHBondContact O-N 3.25Å
47	H	96.8	Very high	94.3	Very high	30 Å²	30	68.7 Å²	68.7	14%	0.139	34%	0.343	C	S	.	.			trans	-56.5	133.8	-179.2	-180	67.5	0	0	0	111.1	E43 W269 Y360	E43-H47 PolarHBondContact O-N 3.33Å; H47-W269 AromaticContact CD2-CH2 3.47Å; H47-W269 VanDerWaalsContact CD2-CH2 3.47Å; H47-W269 WeakPolarHBondContact CD2-CH2 3.41Å; H47-W269 AromaticContact CD2-CZ2 3.78Å; H47-Y360 AromaticContact CD2-CE1 3.72Å; H47-Y360 AromaticContact CD2-CE2 3.83Å; H47-Y360 AromaticContact CD2-CZ 3.53Å; H47-Y360 PolarHBondContact CE1-O 3.12Å; H47-Y360 AromaticContact NE2-CD1 3.63Å; H47-Y360 AromaticContact NE2-CE1 3.66Å; H47-Y360 AromaticContact NE2-CG 3.82Å; H47-Y360 AromaticContact NE2-CZ 3.91Å; H47-Y360 PolarHBondContact NE2-O 2.9Å
48	R	95.3	Very high	95.6	Very high	214 Å²	214	70.7 Å²	70.7	81%	0.808	33%	0.331	S	S	*	.			trans	-125	124.4	175.6	-65.7	-173.6	-178.9	-131.2	0.1	108	R46	R46-R48 PolarHBondContact O-N 3.25Å
49	A	95	Very high	96.4	Very high	13 Å²	13	69 Å²	69	11%	0.107	32%	0.322	C	S	.	.			trans	-69.2	138.2	169.6	0	0	0	0	0	110.4	W269 E359	A49-W269 HydrophobicContact CB-CH2 4.31Å; A49-W269 HydrophobicContact CB-CZ3 3.84Å; A49-E359 CarbonylContact C-O 3.57Å; A49-E359 WeakPolarHBondContact CA-O 3.29Å; A49-E359 HydrophobicContact CB-CB 4.17Å; A49-E359 VanDerWaalsContact CB-O 3.25Å; A49-E359 WeakPolarHBondContact CB-O 3.24Å
50	L	95.9	Very high	96.5	Very high	25 Å²	25	65.8 Å²	65.8	13%	0.131	30%	0.301	C	S	.	.			trans	-64.2	171.2	167.5	66.9	74.7	0	0	0	110.2	L52 R272 E359 N362 R364	L50-L52 HydrophobicContact CD1-CD2 3.47Å; L50-L52 VanDerWaalsContact CD1-CD2 3.47Å; L50-L52 HydrophobicContact CD1-CG 3.79Å; L50-R272 PolarHBondContact O-NH1 2.89Å; L50-E359 HydrophobicContact CD1-CB 4.47Å; L50-E359 HydrophobicContact CD1-CG 4.07Å; L50-E359 PolarHBondContact N-O 2.91Å; L50-E359 VanDerWaalsContact N-O 3.08Å; L50-E359 WeakPolarHBondContact O-CB 3.39Å; L50-E359 VanDerWaalsContact O-CD 3.3Å; L50-E359 WeakPolarHBondContact O-CG 3.49Å; L50-N362 VanDerWaalsContact CB-OD1 3.32Å; L50-N362 WeakPolarHBondContact CB-OD1 3.34Å; L50-N362 VanDerWaalsContact CD2-C 3.42Å; L50-N362 HydrophobicContact CD2-CB 3.92Å; L50-N362 HydrophobicContact CG-CB 4.4Å; L50-N362 WeakPolarHBondContact CG-OD1 3.46Å; L50-N362 PolarHBondContact N-OD1 3.5Å; L50-R364 HydrophobicContact CD2-CG 3.97Å
51	K	97.5	Very high	96.6	Very high	134 Å²	134	63.6 Å²	63.6	58%	0.583	29%	0.294	S	S	*	.			trans	-117.2	120.1	170	-171.9	176.8	179.6	178.4	0	108.1	E359	K51-E359 WeakPolarHBondContact CA-OE1 3.4Å
52	L	98.1	Very high	96.5	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.026	31%	0.31	C	S	.	.			trans	-69.7	145.3	175.6	-66.6	179	0	0	0	110.9	L50 E56 I57 R279 V355 L358 E359 R364	L50-L52 HydrophobicContact CD1-CD2 3.47Å; L50-L52 VanDerWaalsContact CD1-CD2 3.47Å; L50-L52 HydrophobicContact CD1-CG 3.79Å; L52-E56 WeakPolarHBondContact CA-OE2 3.4Å; L52-E56 HydrophobicContact CB-CB 4.05Å; L52-E56 HydrophobicContact CD2-CB 4.03Å; L52-E56 HydrophobicContact CG-CB 4.49Å; L52-I57 HydrophobicContact CB-CG1 3.86Å; L52-I57 HydrophobicContact CD1-CG1 4.41Å; L52-R279 PolarHBondContact O-NH2 2.86Å; L52-V355 HydrophobicContact CD1-CG1 4.34Å; L52-L358 HydrophobicContact CD1-CB 3.96Å; L52-L358 HydrophobicContact CD1-CD1 4.06Å; L52-E359 HydrophobicContact CD1-CG 4.31Å; L52-E359 HydrophobicContact CG-CG 3.9Å; L52-E359 PolarHBondContact N-OE1 3.04Å; L52-R364 HydrophobicContact CD2-CG 4.31Å
53	S	97.9	Very high	96.3	Very high	53 Å²	53	66.8 Å²	66.8	37%	0.371	31%	0.314	S	S	.	.			trans	-70.4	168	167.9	76.4	0	0	0	0	110.7	D55 E56 I57	S53-D55 VanDerWaalsContact C-N 3.28Å; S53-D55 PolarHBondContact O-N 2.76Å; S53-D55 PolarHBondContact OG-N 3.46Å; S53-E56 PolarHBondContact N-OE2 2.8Å; S53-E56 PolarHBondContact O-N 3.04Å; S53-E56 WeakPolarHBondContact OG-CB 3.31Å; S53-E56 VanDerWaalsContact OG-CG 3.3Å; S53-E56 WeakPolarHBondContact OG-CG 3.38Å; S53-E56 PolarHBondContact OG-N 3.38Å; S53-E56 VanDerWaalsContact OG-N 3.1Å; S53-E56 PolarHBondContact OG-OE2 3.41Å; S53-I57 WeakPolarHBondContact O-CG1 3.18Å; S53-I57 PolarHBondContact O-N 2.97Å
54	E	97.4	Very high	96.1	Very high	111 Å²	111	65.1 Å²	65.1	52%	0.519	31%	0.308	S	S	.	.	H	α-helix	trans	-62	-38.1	174.5	-66.3	-167.1	-175.3	0	0	112.1	I57 R58 M283	E54-I57 PolarHBondContact O-N 2.98Å; E54-R58 WeakPolarHBondContact O-CG 3.25Å; E54-R58 PolarHBondContact O-N 3.15Å; E54-M283 HydrophobicContact CB-CE 3.77Å; E54-M283 HydrophobicContact CB-SD 4.2Å; E54-M283 HydrophobicContact CG-CE 4.11Å; E54-M283 HydrophobicContact CG-CG 4.18Å; E54-M283 HydrophobicContact CG-SD 3.86Å; E54-M283 WeakPolarHBondContact O-CE 3.33Å
55	D	97.3	Very high	96	Very high	102 Å²	102	66.6 Å²	66.6	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-67.7	-40.6	178.2	-66	-29.2	0	0	0	111.6	S53 R58 A59 V367	S53-D55 VanDerWaalsContact C-N 3.28Å; S53-D55 PolarHBondContact O-N 2.76Å; S53-D55 PolarHBondContact OG-N 3.46Å; D55-R58 PolarHBondContact O-N 3.26Å; D55-A59 WeakPolarHBondContact O-CB 3.35Å; D55-A59 PolarHBondContact O-N 2.88Å; D55-V367 HydrophobicContact CB-CG1 4.12Å; D55-V367 HydrophobicContact CB-CG2 4.39Å
56	E	97.5	Very high	96	Very high	22 Å²	22	62.2 Å²	62.2	10%	0.103	29%	0.294	C	S	.	.	H	α-helix	trans	-64.8	-40.3	174.4	-72	170.9	151.5	0	0	111.5	L52 S53 A59 A60 R364 P365 V367	L52-E56 WeakPolarHBondContact CA-OE2 3.4Å; L52-E56 HydrophobicContact CB-CB 4.05Å; L52-E56 HydrophobicContact CD2-CB 4.03Å; L52-E56 HydrophobicContact CG-CB 4.49Å; S53-E56 PolarHBondContact N-OE2 2.8Å; S53-E56 PolarHBondContact O-N 3.04Å; S53-E56 WeakPolarHBondContact OG-CB 3.31Å; S53-E56 VanDerWaalsContact OG-CG 3.3Å; S53-E56 WeakPolarHBondContact OG-CG 3.38Å; S53-E56 PolarHBondContact OG-N 3.38Å; S53-E56 VanDerWaalsContact OG-N 3.1Å; S53-E56 PolarHBondContact OG-OE2 3.41Å; E56-A59 PolarHBondContact O-N 2.98Å; E56-A60 PolarHBondContact O-N 3.29Å; E56-R364 WeakPolarHBondContact OE1-CD 3.48Å; E56-R364 IonicContact OE1-CZ 3.26Å; E56-R364 IonicContact OE1-NE 3.7Å; E56-R364 IonicContact OE1-NH1 3.41Å; E56-R364 PolarHBondContact OE1-NH1 3.5Å; E56-R364 IonicContact OE2-NH1 3.63Å; E56-R364 PolarHBondContact OE2-NH1 2.77Å; E56-P365 WeakPolarHBondContact O-CG 3.4Å; E56-V367 HydrophobicContact CB-CG2 4.49Å; E56-V367 HydrophobicContact CG-CG2 3.78Å
57	I	98	Very high	96.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-48.1	172.6	-74.8	170	0	0	0	110.3	L52 S53 E54 A59 A60 L61 L280 M283 V355	L52-I57 HydrophobicContact CB-CG1 3.86Å; L52-I57 HydrophobicContact CD1-CG1 4.41Å; S53-I57 WeakPolarHBondContact O-CG1 3.18Å; S53-I57 PolarHBondContact O-N 2.97Å; E54-I57 PolarHBondContact O-N 2.98Å; I57-A59 VanDerWaalsContact C-N 3.26Å; I57-A59 PolarHBondContact O-N 2.87Å; I57-A60 PolarHBondContact O-N 2.88Å; I57-L61 HydrophobicContact CG2-CD1 3.83Å; I57-L61 HydrophobicContact CG2-CG 4.24Å; I57-L61 VanDerWaalsContact O-CG 3.27Å; I57-L61 WeakPolarHBondContact O-CG 3.32Å; I57-L61 PolarHBondContact O-N 3.37Å; I57-L280 HydrophobicContact CG2-CD2 3.49Å; I57-L280 VanDerWaalsContact CG2-CD2 3.49Å; I57-M283 HydrophobicContact CB-CE 3.91Å; I57-M283 HydrophobicContact CB-SD 4.38Å; I57-M283 HydrophobicContact CD1-SD 3.92Å; I57-M283 HydrophobicContact CG2-CE 3.61Å; I57-M283 HydrophobicContact CG2-SD 4.04Å; I57-V355 HydrophobicContact CG1-CG1 4.36Å; I57-V355 HydrophobicContact CG1-CG2 4.2Å; I57-V355 HydrophobicContact CG2-CG2 4.31Å
58	R	97.3	Very high	96.1	Very high	107 Å²	107	58.6 Å²	58.6	40%	0.404	29%	0.294	S	S	.	.	H	α-helix	trans	-59.7	-39.3	179.2	-72.1	178.8	-163.9	-68.9	-4.4	111.7	E54 D55 S62 M283	E54-R58 WeakPolarHBondContact O-CG 3.25Å; E54-R58 PolarHBondContact O-N 3.15Å; D55-R58 PolarHBondContact O-N 3.26Å; R58-S62 PolarHBondContact O-N 2.9Å; R58-M283 HydrophobicContact CG-CE 4.05Å
59	A	96.4	Very high	96.3	Very high	13 Å²	13	48.4 Å²	48.4	11%	0.107	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-50.3	175	0	0	0	0	0	111.6	D55 E56 I57 L61 S62 P365	D55-A59 WeakPolarHBondContact O-CB 3.35Å; D55-A59 PolarHBondContact O-N 2.88Å; E56-A59 PolarHBondContact O-N 2.98Å; I57-A59 VanDerWaalsContact C-N 3.26Å; I57-A59 PolarHBondContact O-N 2.87Å; A59-L61 VanDerWaalsContact C-N 3.29Å; A59-L61 PolarHBondContact O-N 3.23Å; A59-S62 WeakPolarHBondContact O-CB 3.38Å; A59-S62 PolarHBondContact O-N 3.22Å; A59-S62 VanDerWaalsContact O-N 3.11Å; A59-S62 PolarHBondContact O-OG 3.37Å; A59-P365 HydrophobicContact CB-CB 3.8Å
60	A	95.5	Very high	96.5	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-54.8	-44.2	177.4	0	0	0	0	0	112.6	E56 I57 S62 L358 P365	E56-A60 PolarHBondContact O-N 3.29Å; I57-A60 PolarHBondContact O-N 2.88Å; A60-S62 VanDerWaalsContact C-N 3.26Å; A60-S62 PolarHBondContact O-N 2.92Å; A60-L358 HydrophobicContact CB-CD1 3.44Å; A60-L358 VanDerWaalsContact CB-CD1 3.44Å; A60-P365 HydrophobicContact CB-CG 3.71Å
61	L	96.4	Very high	96.6	Very high	13 Å²	13	52.8 Å²	52.8	7%	0.068	27%	0.273	C	S	.	.	H	α-helix	trans	-78.5	-9.7	-175.5	-59.8	-175.4	0	0	0	113.5	I57 A59 H63 T64 L280 Q285 K351 Q354 V355	I57-L61 HydrophobicContact CG2-CD1 3.83Å; I57-L61 HydrophobicContact CG2-CG 4.24Å; I57-L61 VanDerWaalsContact O-CG 3.27Å; I57-L61 WeakPolarHBondContact O-CG 3.32Å; I57-L61 PolarHBondContact O-N 3.37Å; A59-L61 VanDerWaalsContact C-N 3.29Å; A59-L61 PolarHBondContact O-N 3.23Å; L61-H63 PolarHBondContact O-N 3.44Å; L61-T64 PolarHBondContact O-N 2.69Å; L61-L280 HydrophobicContact CD1-CD2 3.71Å; L61-Q285 HydrophobicContact CD1-CB 4.21Å; L61-Q285 HydrophobicContact CD1-CG 4.27Å; L61-K351 HydrophobicContact CD1-CB 4.14Å; L61-K351 HydrophobicContact CD1-CD 4.15Å; L61-K351 HydrophobicContact CD1-CG 4.17Å; L61-K351 HydrophobicContact CD2-CB 3.68Å; L61-K351 HydrophobicContact CD2-CG 3.84Å; L61-Q354 HydrophobicContact CD2-CB 4.5Å; L61-V355 HydrophobicContact CD2-CG2 4.26Å
62	S	94.4	Very high	96.6	Very high	76 Å²	76	52.9 Å²	52.9	53%	0.531	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.9	-174.2	72.3	0	0	0	0	114	R58 A59 A60	R58-S62 PolarHBondContact O-N 2.9Å; A59-S62 WeakPolarHBondContact O-CB 3.38Å; A59-S62 PolarHBondContact O-N 3.22Å; A59-S62 VanDerWaalsContact O-N 3.11Å; A59-S62 PolarHBondContact O-OG 3.37Å; A60-S62 VanDerWaalsContact C-N 3.26Å; A60-S62 PolarHBondContact O-N 2.92Å
63	H	91.6	Very high	96.6	Very high	111 Å²	111	52.8 Å²	52.8	51%	0.514	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-2.1	179.7	-61.6	-51.9	0	0	0	113.7	L61 D65 A178	L61-H63 PolarHBondContact O-N 3.44Å; H63-D65 PolarHBondContact O-N 3.48Å; H63-A178 HydrophobicContact CB-CB 4.46Å; H63-A178 WeakPolarHBondContact CB-O 3.22Å
64	T	92.8	Very high	96.6	Very high	25 Å²	25	50.3 Å²	50.3	15%	0.153	25%	0.252	C	S	.	.			trans	-72.2	125.4	172.8	-59.1	0	0	0	0	110.1	L61 E174 Q354	L61-T64 PolarHBondContact O-N 2.69Å; T64-E174 WeakPolarHBondContact CA-OE1 3.37Å; T64-E174 WeakPolarHBondContact CG2-OE1 3.46Å; T64-Q354 PolarHBondContact OG1-NE2 3.48Å; T64-Q354 PolarHBondContact OG1-OE1 3.44Å
65	D	93.9	Very high	96.7	Very high	56 Å²	56	50.6 Å²	50.6	30%	0.299	25%	0.248	S	C	.	.			trans	-135.7	97.7	175.8	-174.8	-21.2	0	0	0	109.5	H63 A67 Q68 M69 E174	H63-D65 PolarHBondContact O-N 3.48Å; D65-A67 PolarHBondContact O-N 2.75Å; D65-A67 WeakPolarHBondContact OD1-CB 3.45Å; D65-A67 PolarHBondContact OD1-N 2.77Å; D65-Q68 HydrophobicContact CB-CB 3.98Å; D65-Q68 HydrophobicContact CB-CG 4.29Å; D65-Q68 PolarHBondContact O-N 3.26Å; D65-Q68 PolarHBondContact OD1-N 3.26Å; D65-Q68 VanDerWaalsContact OD2-CG 3.31Å; D65-Q68 WeakPolarHBondContact OD2-CG 3.46Å; D65-Q68 PolarHBondContact OD2-NE2 2.87Å; D65-M69 PolarHBondContact O-N 3.32Å; D65-E174 PolarHBondContact N-OE1 2.79Å
66	L	96.4	Very high	96.7	Very high	21 Å²	21	48.1 Å²	48.1	11%	0.11	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-35.9	179.5	-173.9	76.7	0	0	0	111.9	M69 W70 R343 I346 Q347	L66-M69 HydrophobicContact CD1-CE 3.65Å; L66-M69 PolarHBondContact O-N 3.08Å; L66-W70 VanDerWaalsContact O-CB 3.28Å; L66-W70 WeakPolarHBondContact O-CB 3.4Å; L66-W70 PolarHBondContact O-N 3.43Å; L66-R343 HydrophobicContact CD2-CB 4.12Å; L66-I346 HydrophobicContact CD1-CB 4.47Å; L66-I346 HydrophobicContact CD1-CG2 4.01Å; L66-Q347 HydrophobicContact CB-CG 4.42Å; L66-Q347 HydrophobicContact CD1-CB 4.11Å; L66-Q347 HydrophobicContact CD2-CB 3.88Å; L66-Q347 HydrophobicContact CD2-CG 4.35Å; L66-Q347 HydrophobicContact CG-CB 4.42Å
67	A	97.4	Very high	96.8	Very high	53 Å²	53	47.1 Å²	47.1	44%	0.438	23%	0.233	S	C	.	.	H	α-helix	trans	-69.1	-41	-178.7	0	0	0	0	0	110.6	D65 W70 Q71	D65-A67 PolarHBondContact O-N 2.75Å; D65-A67 WeakPolarHBondContact OD1-CB 3.45Å; D65-A67 PolarHBondContact OD1-N 2.77Å; A67-W70 PolarHBondContact O-N 2.98Å; A67-Q71 WeakPolarHBondContact O-CG 3.5Å; A67-Q71 PolarHBondContact O-N 3.46Å; A67-Q71 VanDerWaalsContact O-N 3.1Å
68	Q	96.8	Very high	96.8	Very high	75 Å²	75	47.7 Å²	47.7	35%	0.35	24%	0.236	S	C	.	.	H	α-helix	trans	-65.9	-45.3	172.6	-78	-171.7	62.2	0	0	112.2	D65 W70 Q71 R72	D65-Q68 HydrophobicContact CB-CB 3.98Å; D65-Q68 HydrophobicContact CB-CG 4.29Å; D65-Q68 PolarHBondContact O-N 3.26Å; D65-Q68 PolarHBondContact OD1-N 3.26Å; D65-Q68 VanDerWaalsContact OD2-CG 3.31Å; D65-Q68 WeakPolarHBondContact OD2-CG 3.46Å; D65-Q68 PolarHBondContact OD2-NE2 2.87Å; Q68-W70 VanDerWaalsContact C-N 3.25Å; Q68-W70 PolarHBondContact O-N 3.23Å; Q68-Q71 PolarHBondContact O-N 2.89Å; Q68-R72 VanDerWaalsContact O-CB 3.22Å; Q68-R72 WeakPolarHBondContact O-CB 3.46Å; Q68-R72 WeakPolarHBondContact O-CG 3.46Å; Q68-R72 PolarHBondContact O-N 3.29Å
69	M	98.3	Very high	96.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-55.5	-45.6	174.1	-179.4	-167	84.9	0	0	110.7	D65 L66 Q71 D73 L74 A170 E174 I346 N350	D65-M69 PolarHBondContact O-N 3.32Å; L66-M69 HydrophobicContact CD1-CE 3.65Å; L66-M69 PolarHBondContact O-N 3.08Å; M69-Q71 VanDerWaalsContact C-N 3.34Å; M69-Q71 PolarHBondContact O-N 3Å; M69-D73 WeakPolarHBondContact CA-OD2 3.39Å; M69-D73 HydrophobicContact CG-CB 4.09Å; M69-D73 CarbonylContact O-C 3.56Å; M69-D73 WeakPolarHBondContact O-CA 3.4Å; M69-D73 WeakPolarHBondContact O-CB 3.34Å; M69-D73 PolarHBondContact O-N 3.08Å; M69-L74 PolarHBondContact O-N 3.48Å; M69-A170 HydrophobicContact CG-CB 4.22Å; M69-A170 HydrophobicContact SD-CB 4.42Å; M69-E174 HydrophobicContact CB-CB 4.04Å; M69-E174 HydrophobicContact CB-CG 4.28Å; M69-E174 HydrophobicContact CG-CB 3.64Å; M69-E174 HydrophobicContact CG-CG 4.29Å; M69-E174 HydrophobicContact SD-CB 3.55Å; M69-E174 VanDerWaalsContact SD-CB 3.55Å; M69-E174 HydrophobicContact SD-CG 3.9Å; M69-I346 HydrophobicContact CE-CG2 3.63Å; M69-N350 PolarHBondContact SD-ND2 2.99Å
70	W	98.6	Very high	96.8	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.015	24%	0.237	C	C	.	.	I	π-helix	trans	-59.8	-44.9	-178.8	-155.5	-78.6	0	0	0	112.5	L66 A67 Q68 L74 R75 E338 L341 R343 I346	L66-W70 VanDerWaalsContact O-CB 3.28Å; L66-W70 WeakPolarHBondContact O-CB 3.4Å; L66-W70 PolarHBondContact O-N 3.43Å; A67-W70 PolarHBondContact O-N 2.98Å; Q68-W70 VanDerWaalsContact C-N 3.25Å; Q68-W70 PolarHBondContact O-N 3.23Å; W70-L74 HydrophobicContact CD2-CD2 3.76Å; W70-L74 HydrophobicContact CE3-CD2 3.84Å; W70-L74 HydrophobicContact CG-CD2 4.38Å; W70-L74 HydrophobicContact CH2-CD2 4.06Å; W70-L74 HydrophobicContact CZ2-CD2 3.95Å; W70-L74 HydrophobicContact CZ3-CD2 3.98Å; W70-R75 WeakPolarHBondContact O-CG 3.39Å; W70-R75 PolarHBondContact O-N 3.46Å; W70-E338 HydrophobicContact CZ2-CG 3.75Å; W70-E338 PolarHBondContact NE1-OE1 3.48Å; W70-L341 HydrophobicContact CH2-CB 3.63Å; W70-L341 HydrophobicContact CH2-CD1 3.66Å; W70-L341 HydrophobicContact CH2-CG 4.32Å; W70-L341 HydrophobicContact CZ2-CB 4.22Å; W70-L341 HydrophobicContact CZ2-CD1 3.86Å; W70-L341 HydrophobicContact CZ3-CD1 4.5Å; W70-R343 VanDerWaalsContact CD2-NH1 3.34Å; W70-R343 VanDerWaalsContact CE2-CZ 3.5Å; W70-R343 HydrophobicContact CE3-CG 4.22Å; W70-R343 HydrophobicContact CH2-CG 3.65Å; W70-R343 HydrophobicContact CZ2-CG 4.36Å; W70-R343 HydrophobicContact CZ3-CB 4.48Å; W70-R343 HydrophobicContact CZ3-CG 3.6Å; W70-I346 HydrophobicContact CH2-CD1 4.15Å; W70-I346 HydrophobicContact CZ3-CD1 3.8Å
71	Q	98.3	Very high	97	Very high	126 Å²	126	46.1 Å²	46.1	59%	0.589	24%	0.237	S	C	*	.	I	π-helix	trans	-77.9	-42.6	-177	-69.7	-179.8	6.7	0	0	113.1	A67 Q68 M69	A67-Q71 WeakPolarHBondContact O-CG 3.5Å; A67-Q71 PolarHBondContact O-N 3.46Å; A67-Q71 VanDerWaalsContact O-N 3.1Å; Q68-Q71 PolarHBondContact O-N 2.89Å; M69-Q71 VanDerWaalsContact C-N 3.34Å; M69-Q71 PolarHBondContact O-N 3Å
72	R	97.3	Very high	97	Very high	137 Å²	137	49.3 Å²	49.3	52%	0.517	25%	0.249	S	C	.	.	I	π-helix	trans	-91.6	-36.9	-169.5	-62	177.4	64.6	152.5	2.5	112.6	Q68 P76 H94	Q68-R72 VanDerWaalsContact O-CB 3.22Å; Q68-R72 WeakPolarHBondContact O-CB 3.46Å; Q68-R72 WeakPolarHBondContact O-CG 3.46Å; Q68-R72 PolarHBondContact O-N 3.29Å; R72-P76 WeakPolarHBondContact O-CG 3.13Å; R72-H94 PolarHBondContact O-CE1 3.48Å; R72-H94 PolarHBondContact O-NE2 3.04Å
73	D	98.1	Very high	97.2	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	22%	0.224	C	C	.	.	I	π-helix	trans	-108.9	-45.1	-169.1	-53.3	-42.9	0	0	0	110.6	M69 L77 A170 L173 R177	M69-D73 WeakPolarHBondContact CA-OD2 3.39Å; M69-D73 HydrophobicContact CG-CB 4.09Å; M69-D73 CarbonylContact O-C 3.56Å; M69-D73 WeakPolarHBondContact O-CA 3.4Å; M69-D73 WeakPolarHBondContact O-CB 3.34Å; M69-D73 PolarHBondContact O-N 3.08Å; D73-L77 WeakPolarHBondContact O-CD1 3.37Å; D73-L77 WeakPolarHBondContact O-CG 3.49Å; D73-A170 HydrophobicContact CB-CB 4.16Å; D73-L173 HydrophobicContact CB-CB 4.15Å; D73-L173 HydrophobicContact CB-CD1 4.15Å; D73-R177 IonicContact OD2-CZ 2.56Å; D73-R177 IonicContact OD2-NE 3.59Å; D73-R177 IonicContact OD2-NH2 3.95Å; D73-R177 PolarHBondContact OD2-NH2 3.38Å
74	L	98.8	Very high	97.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-79.8	-53.3	-176.5	179.7	59.7	0	0	0	113.9	M69 W70 L77 L78 A166 V167 A170 L341	M69-L74 PolarHBondContact O-N 3.48Å; W70-L74 HydrophobicContact CD2-CD2 3.76Å; W70-L74 HydrophobicContact CE3-CD2 3.84Å; W70-L74 HydrophobicContact CG-CD2 4.38Å; W70-L74 HydrophobicContact CH2-CD2 4.06Å; W70-L74 HydrophobicContact CZ2-CD2 3.95Å; W70-L74 HydrophobicContact CZ3-CD2 3.98Å; L74-L77 WeakPolarHBondContact O-CA 3.5Å; L74-L77 VanDerWaalsContact O-CB 3.29Å; L74-L77 WeakPolarHBondContact O-CB 3.35Å; L74-L77 PolarHBondContact O-N 3.5Å; L74-L78 HydrophobicContact CD1-CD1 4.39Å; L74-L78 HydrophobicContact CD1-CD2 4.23Å; L74-L78 HydrophobicContact CD1-CG 4.15Å; L74-L78 HydrophobicContact CG-CD1 4Å; L74-L78 HydrophobicContact CG-CG 4.22Å; L74-L78 PolarHBondContact O-N 3.32Å; L74-A166 HydrophobicContact CD1-CB 3.97Å; L74-V167 HydrophobicContact CD1-CG2 3.82Å; L74-V167 HydrophobicContact CD2-CG2 4.11Å; L74-A170 HydrophobicContact CB-CB 3.81Å; L74-A170 HydrophobicContact CD1-CB 4.14Å; L74-L341 HydrophobicContact CD2-CD1 3.74Å
75	R	98.6	Very high	97.6	Very high	117 Å²	117	42.3 Å²	42.3	44%	0.442	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-56.8	-39.7	-175.2	-82.8	179.2	176.9	175.2	-0.6	114.8	W70 L77 L78 E338	W70-R75 WeakPolarHBondContact O-CG 3.39Å; W70-R75 PolarHBondContact O-N 3.46Å; R75-L77 PolarHBondContact O-N 3.44Å; R75-L78 PolarHBondContact O-N 3.11Å; R75-E338 IonicContact CZ-OE1 2.73Å; R75-E338 IonicContact NE-OE1 3.69Å; R75-E338 PolarHBondContact NE-OE1 3.06Å; R75-E338 IonicContact NE-OE2 3.36Å; R75-E338 IonicContact NH2-OE1 3.7Å; R75-E338 PolarHBondContact NH2-OE1 3.41Å
76	P	98.6	Very high	97.8	Very high	51 Å²	51	43.7 Å²	43.7	33%	0.331	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-63.1	-22.8	174.2	-26.3	38.5	0	0	0	114	R72	R72-P76 WeakPolarHBondContact O-CG 3.13Å
77	L	98.8	Very high	97.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-84	-23.6	177.6	-57.4	175.3	0	0	0	112.4	D73 L74 R75 V79 R81 V91 I95 A166 C169 A170	D73-L77 WeakPolarHBondContact O-CD1 3.37Å; D73-L77 WeakPolarHBondContact O-CG 3.49Å; L74-L77 WeakPolarHBondContact O-CA 3.5Å; L74-L77 VanDerWaalsContact O-CB 3.29Å; L74-L77 WeakPolarHBondContact O-CB 3.35Å; L74-L77 PolarHBondContact O-N 3.5Å; R75-L77 PolarHBondContact O-N 3.44Å; L77-V79 PolarHBondContact O-N 2.85Å; L77-R81 PolarHBondContact O-NH1 2.79Å; L77-V91 HydrophobicContact CD2-CB 4.09Å; L77-V91 HydrophobicContact CD2-CG1 3.42Å; L77-V91 VanDerWaalsContact CD2-CG1 3.42Å; L77-V91 HydrophobicContact CD2-CG2 3.78Å; L77-I95 HydrophobicContact CD2-CG1 4.41Å; L77-A166 HydrophobicContact CB-CB 4.03Å; L77-A166 WeakPolarHBondContact CD1-O 3.42Å; L77-C169 HydrophobicContact CD1-CB 3.49Å; L77-C169 VanDerWaalsContact CD1-CB 3.49Å; L77-A170 HydrophobicContact CD1-CB 4.22Å
78	L	98.4	Very high	98	Very high	13 Å²	13	40.8 Å²	40.8	7%	0.068	22%	0.22	C	C	.	.			trans	-75.7	59.4	-179	-66.3	174.2	0	0	0	112.7	L74 R75 Q160 A162 A166 E338	L74-L78 HydrophobicContact CD1-CD1 4.39Å; L74-L78 HydrophobicContact CD1-CD2 4.23Å; L74-L78 HydrophobicContact CD1-CG 4.15Å; L74-L78 HydrophobicContact CG-CD1 4Å; L74-L78 HydrophobicContact CG-CG 4.22Å; L74-L78 PolarHBondContact O-N 3.32Å; R75-L78 PolarHBondContact O-N 3.11Å; L78-Q160 PolarHBondContact O-NE2 3.02Å; L78-A162 HydrophobicContact CD2-CB 3.63Å; L78-A166 HydrophobicContact CD2-CB 3.95Å; L78-E338 HydrophobicContact CD1-CB 3.74Å; L78-E338 HydrophobicContact CD1-CG 3.77Å
79	V	97.4	Very high	98.1	Very high	51 Å²	51	42.4 Å²	42.4	31%	0.309	23%	0.228	S	C	.	.	S	Bend	trans	-132.2	159.3	176.2	-61.1	0	0	0	0	109.2	L77 R81 V91	L77-V79 PolarHBondContact O-N 2.85Å; V79-R81 HydrophobicContact CG2-CB 4.33Å; V79-R81 WeakPolarHBondContact O-CG 3.28Å; V79-R81 PolarHBondContact O-N 3.38Å; V79-R81 PolarHBondContact O-NH1 3.42Å; V79-V91 HydrophobicContact CG2-CG2 3.96Å
80	T	97.1	Very high	98.1	Very high	37 Å²	37	45.1 Å²	45.1	23%	0.227	25%	0.25	C	S	.	.			trans	-64.5	120.1	168.6	-61.5	0	0	0	0	109.2	Y82 G87 E158	T80-Y82 HydrophobicContact CG2-CD1 3.45Å; T80-Y82 VanDerWaalsContact CG2-CD1 3.45Å; T80-Y82 HydrophobicContact CG2-CE1 3.56Å; T80-G87 WeakPolarHBondContact O-CA 3.47Å; T80-E158 WeakPolarHBondContact OG1-CB 3.33Å
81	R	98.2	Very high	98.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.249	C	C	.	.			trans	-142.4	36.5	-168.3	61.6	-175.3	-173.1	-76.6	-18.7	113.8	L77 V79 S85 S88 V91 Y145 D146 S147 Q160 G161 D164	L77-R81 PolarHBondContact O-NH1 2.79Å; V79-R81 HydrophobicContact CG2-CB 4.33Å; V79-R81 WeakPolarHBondContact O-CG 3.28Å; V79-R81 PolarHBondContact O-N 3.38Å; V79-R81 PolarHBondContact O-NH1 3.42Å; R81-S85 WeakPolarHBondContact CA-OG 3.28Å; R81-S88 WeakPolarHBondContact O-CB 3.47Å; R81-V91 HydrophobicContact CB-CG2 4.32Å; R81-Y145 WeakPolarHBondContact CD-O 3.29Å; R81-Y145 PolarHBondContact NE-O 3.27Å; R81-D146 WeakPolarHBondContact O-CA 3.46Å; R81-S147 WeakPolarHBondContact CG-OG 3.35Å; R81-S147 PolarHBondContact N-OG 3.05Å; R81-S147 PolarHBondContact O-N 3.21Å; R81-Q160 VanDerWaalsContact CZ-O 3.24Å; R81-Q160 PolarHBondContact NH1-O 3.23Å; R81-Q160 PolarHBondContact NH2-O 3.44Å; R81-Q160 VanDerWaalsContact NH2-O 3.09Å; R81-G161 PolarHBondContact NH2-O 3.45Å; R81-D164 PolarHBondContact NH2-O 3.2Å
82	Y	97.6	Very high	98.1	Very high	79 Å²	79	40.4 Å²	40.4	31%	0.31	23%	0.227	S	C	.	.			trans	-61.6	157.5	172.3	61.2	-97.1	0	0	0	111.9	T80 G84 S85 S88 S147 Y149	T80-Y82 HydrophobicContact CG2-CD1 3.45Å; T80-Y82 VanDerWaalsContact CG2-CD1 3.45Å; T80-Y82 HydrophobicContact CG2-CE1 3.56Å; Y82-G84 PolarHBondContact O-N 3.42Å; Y82-S85 PolarHBondContact N-OG 3.08Å; Y82-S85 WeakPolarHBondContact O-CB 3.26Å; Y82-S85 PolarHBondContact O-N 3.02Å; Y82-S85 PolarHBondContact O-OG 3.08Å; Y82-S88 VanDerWaalsContact O-CB 3.28Å; Y82-S88 WeakPolarHBondContact O-CB 3.46Å; Y82-S147 VanDerWaalsContact CA-O 3.26Å; Y82-S147 WeakPolarHBondContact CA-O 3.24Å; Y82-S147 VanDerWaalsContact CB-O 3.27Å; Y82-S147 WeakPolarHBondContact CB-O 3.42Å; Y82-S147 PolarHBondContact N-OG 2.77Å; Y82-Y149 AromaticContact CD1-CD2 3.7Å; Y82-Y149 HydrophobicContact CD1-CD2 3.7Å; Y82-Y149 HydrophobicContact CD1-CE2 4.49Å; Y82-Y149 HydrophobicContact CD2-CD2 4.01Å; Y82-Y149 AromaticContact CE1-CD2 3.83Å; Y82-Y149 HydrophobicContact CE1-CD2 3.83Å; Y82-Y149 HydrophobicContact CE1-CE2 4.16Å; Y82-Y149 HydrophobicContact CE2-CD2 4.12Å; Y82-Y149 HydrophobicContact CE2-CE2 4.38Å; Y82-Y149 AromaticContact CG-CD2 3.81Å; Y82-Y149 HydrophobicContact CG-CD2 3.81Å; Y82-Y149 HydrophobicContact CG-CG 4.44Å
83	P	98.4	Very high	98.2	Very high	3 Å²	3	37 Å²	37	2%	0.019	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	133.8	-176.6	-28.7	35.2	0	0	0	113.6	S85 F124 D146 L206	P83-S85 VanDerWaalsContact C-N 3.25Å; P83-S85 PolarHBondContact O-N 3.13Å; P83-F124 HydrophobicContact CB-CD1 3.75Å; P83-F124 HydrophobicContact CB-CE1 3.56Å; P83-F124 HydrophobicContact CB-CZ 4.27Å; P83-F124 HydrophobicContact CG-CD1 3.94Å; P83-F124 HydrophobicContact CG-CE1 3.59Å; P83-D146 HydrophobicContact CG-CB 4.36Å; P83-L206 HydrophobicContact CG-CD2 4.47Å
84	G	96.5	Very high	98.2	Very high	47 Å²	47	38.7 Å²	38.7	49%	0.485	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	-3.5	-178.5	0	0	0	0	0	116.2	Y82	Y82-G84 PolarHBondContact O-N 3.42Å
85	S	97.1	Very high	98.2	Very high	16 Å²	16	38.7 Å²	38.7	11%	0.112	23%	0.227	C	C	.	.	S	Bend	trans	-75.3	161.5	175.6	69.2	0	0	0	0	113.2	R81 Y82 P83 G87 S88 Q89	R81-S85 WeakPolarHBondContact CA-OG 3.28Å; Y82-S85 PolarHBondContact N-OG 3.08Å; Y82-S85 WeakPolarHBondContact O-CB 3.26Å; Y82-S85 PolarHBondContact O-N 3.02Å; Y82-S85 PolarHBondContact O-OG 3.08Å; P83-S85 VanDerWaalsContact C-N 3.25Å; P83-S85 PolarHBondContact O-N 3.13Å; S85-G87 VanDerWaalsContact C-N 3.28Å; S85-G87 PolarHBondContact O-N 2.77Å; S85-S88 WeakPolarHBondContact O-CB 3.38Å; S85-S88 PolarHBondContact O-N 3.2Å; S85-S88 WeakPolarHBondContact OG-CB 3.06Å; S85-S88 PolarHBondContact OG-N 3.37Å; S85-S88 VanDerWaalsContact OG-N 3.07Å; S85-Q89 PolarHBondContact O-N 3.43Å
86	A	97.6	Very high	98.2	Very high	84 Å²	84	36.3 Å²	36.3	69%	0.694	22%	0.22	S	C	*	.	H	α-helix	trans	-62.7	-34.3	172.7	0	0	0	0	0	112.5	Q89 A90	A86-Q89 PolarHBondContact O-N 2.83Å; A86-A90 PolarHBondContact O-N 2.77Å
87	G	98.3	Very high	98.2	Very high	14 Å²	14	38.6 Å²	38.6	14%	0.144	23%	0.233	C	C	.	.	H	α-helix	trans	-69	-36.9	176.1	0	0	0	0	0	112.7	T80 S85 Q89 A90 V91	T80-G87 WeakPolarHBondContact O-CA 3.47Å; S85-G87 VanDerWaalsContact C-N 3.28Å; S85-G87 PolarHBondContact O-N 2.77Å; G87-Q89 VanDerWaalsContact C-N 3.35Å; G87-Q89 PolarHBondContact O-N 2.73Å; G87-A90 PolarHBondContact O-N 3.39Å; G87-V91 WeakPolarHBondContact O-CB 3.47Å; G87-V91 WeakPolarHBondContact O-CG2 3.3Å; G87-V91 PolarHBondContact O-N 3.14Å
88	S	98.6	Very high	98.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.7	-45.9	172.2	170.3	0	0	0	0	111.1	R81 Y82 S85 V91 R92 Y145	R81-S88 WeakPolarHBondContact O-CB 3.47Å; Y82-S88 VanDerWaalsContact O-CB 3.28Å; Y82-S88 WeakPolarHBondContact O-CB 3.46Å; S85-S88 WeakPolarHBondContact O-CB 3.38Å; S85-S88 PolarHBondContact O-N 3.2Å; S85-S88 WeakPolarHBondContact OG-CB 3.06Å; S85-S88 PolarHBondContact OG-N 3.37Å; S85-S88 VanDerWaalsContact OG-N 3.07Å; S88-V91 PolarHBondContact O-N 3.26Å; S88-R92 WeakPolarHBondContact O-CG 3.32Å; S88-R92 PolarHBondContact O-N 3.45Å; S88-R92 PolarHBondContact OG-NH1 3.28Å; S88-Y145 PolarHBondContact OG-OH 3Å
89	Q	98.7	Very high	98.2	Very high	108 Å²	108	39 Å²	39	51%	0.505	24%	0.236	S	C	.	.	H	α-helix	trans	-61.2	-48.1	173.9	-177.3	177.7	1.5	0	0	112.7	S85 A86 G87 V91 R92 D93	S85-Q89 PolarHBondContact O-N 3.43Å; A86-Q89 PolarHBondContact O-N 2.83Å; G87-Q89 VanDerWaalsContact C-N 3.35Å; G87-Q89 PolarHBondContact O-N 2.73Å; Q89-V91 VanDerWaalsContact C-N 3.28Å; Q89-V91 PolarHBondContact O-N 2.8Å; Q89-R92 PolarHBondContact O-N 2.92Å; Q89-D93 PolarHBondContact O-N 3.13Å
90	A	98.8	Very high	98.3	Very high	57 Å²	57	39 Å²	39	47%	0.471	25%	0.247	S	C	.	.	H	α-helix	trans	-60	-39.3	-179.7	0	0	0	0	0	112.2	A86 G87 D93 H94	A86-A90 PolarHBondContact O-N 2.77Å; G87-A90 PolarHBondContact O-N 3.39Å; A90-D93 PolarHBondContact O-N 3.36Å; A90-H94 WeakPolarHBondContact O-CB 3.39Å; A90-H94 PolarHBondContact O-N 2.74Å
91	V	98.8	Very high	98.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.8	-43.5	175.8	162.7	0	0	0	0	111.8	L77 V79 R81 G87 S88 Q89 D93 H94 I95 Y145	L77-V91 HydrophobicContact CD2-CB 4.09Å; L77-V91 HydrophobicContact CD2-CG1 3.42Å; L77-V91 VanDerWaalsContact CD2-CG1 3.42Å; L77-V91 HydrophobicContact CD2-CG2 3.78Å; V79-V91 HydrophobicContact CG2-CG2 3.96Å; R81-V91 HydrophobicContact CB-CG2 4.32Å; G87-V91 WeakPolarHBondContact O-CB 3.47Å; G87-V91 WeakPolarHBondContact O-CG2 3.3Å; G87-V91 PolarHBondContact O-N 3.14Å; S88-V91 PolarHBondContact O-N 3.26Å; Q89-V91 VanDerWaalsContact C-N 3.28Å; Q89-V91 PolarHBondContact O-N 2.8Å; V91-D93 VanDerWaalsContact C-N 3.33Å; V91-D93 PolarHBondContact O-N 2.82Å; V91-H94 WeakPolarHBondContact O-CB 3.29Å; V91-H94 PolarHBondContact O-N 2.85Å; V91-I95 HydrophobicContact CG1-CD1 3.76Å; V91-I95 HydrophobicContact CG1-CG1 4.45Å; V91-I95 WeakPolarHBondContact O-CG1 3.37Å; V91-I95 PolarHBondContact O-N 3.4Å; V91-Y145 HydrophobicContact CB-CD2 4.27Å; V91-Y145 HydrophobicContact CG1-CD2 3.5Å; V91-Y145 HydrophobicContact CG1-CE2 4.31Å; V91-Y145 HydrophobicContact CG1-CG 4.19Å
92	R	98.7	Very high	98.3	Very high	32 Å²	32	42.3 Å²	42.3	12%	0.121	27%	0.27	C	S	.	.	H	α-helix	trans	-59.3	-46.3	175.1	-72.8	-164.9	-59.7	-79.4	-0.8	112.1	S88 Q89 H94 I95 K96 L127 Y145	S88-R92 WeakPolarHBondContact O-CG 3.32Å; S88-R92 PolarHBondContact O-N 3.45Å; S88-R92 PolarHBondContact OG-NH1 3.28Å; Q89-R92 PolarHBondContact O-N 2.92Å; R92-H94 VanDerWaalsContact C-N 3.29Å; R92-H94 PolarHBondContact O-N 3.35Å; R92-I95 PolarHBondContact O-N 3.19Å; R92-K96 WeakPolarHBondContact O-CB 3.37Å; R92-K96 WeakPolarHBondContact O-CG 3.28Å; R92-K96 PolarHBondContact O-N 3.44Å; R92-L127 HydrophobicContact CB-CD1 4.12Å; R92-L127 HydrophobicContact CB-CD2 4.49Å; R92-L127 HydrophobicContact CG-CD1 4.15Å; R92-L127 HydrophobicContact CG-CD2 4.41Å; R92-L127 HydrophobicContact CG-CG 4.31Å; R92-Y145 VanDerWaalsContact CD-OH 3.22Å; R92-Y145 WeakPolarHBondContact CD-OH 3.38Å; R92-Y145 HydrophobicContact CG-CD2 4.47Å; R92-Y145 HydrophobicContact CG-CE1 4.13Å; R92-Y145 HydrophobicContact CG-CE2 3.64Å; R92-Y145 VanDerWaalsContact CG-CZ 3.46Å; R92-Y145 WeakPolarHBondContact CG-OH 3.34Å; R92-Y145 PolarHBondContact NH1-OH 3.41Å
93	D	98.8	Very high	98.3	Very high	66 Å²	66	40.4 Å²	40.4	35%	0.353	27%	0.274	S	S	.	.	H	α-helix	trans	-63.6	-37.8	178.9	-72.8	-24.3	0	0	0	111.4	Q89 A90 V91 K96 T97	Q89-D93 PolarHBondContact O-N 3.13Å; A90-D93 PolarHBondContact O-N 3.36Å; V91-D93 VanDerWaalsContact C-N 3.33Å; V91-D93 PolarHBondContact O-N 2.82Å; D93-K96 IonicContact OD1-NZ 2.9Å; D93-T97 VanDerWaalsContact O-CB 3.24Å; D93-T97 WeakPolarHBondContact O-CB 3.41Å; D93-T97 PolarHBondContact O-N 2.63Å; D93-T97 PolarHBondContact O-OG1 2.61Å
94	H	98.8	Very high	98.2	Very high	38 Å²	38	40.5 Å²	40.5	18%	0.176	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-54.4	173.4	178.7	66.2	0	0	0	111.8	R72 A90 V91 R92 K96 T97 T98	R72-H94 PolarHBondContact O-CE1 3.48Å; R72-H94 PolarHBondContact O-NE2 3.04Å; A90-H94 WeakPolarHBondContact O-CB 3.39Å; A90-H94 PolarHBondContact O-N 2.74Å; V91-H94 WeakPolarHBondContact O-CB 3.29Å; V91-H94 PolarHBondContact O-N 2.85Å; R92-H94 VanDerWaalsContact C-N 3.29Å; R92-H94 PolarHBondContact O-N 3.35Å; H94-K96 PolarHBondContact O-N 2.91Å; H94-T97 PolarHBondContact O-N 2.94Å; H94-T98 PolarHBondContact CE1-OG1 3.43Å; H94-T98 WeakPolarHBondContact O-CB 3.29Å; H94-T98 PolarHBondContact O-N 2.97Å; H94-T98 PolarHBondContact O-OG1 3.38Å; H94-T98 VanDerWaalsContact O-OG1 3.09Å
95	I	98.9	Very high	98.2	Very high	0 Å²	0	40 Å²	40	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.8	-48.5	179.8	-69.3	165.4	0	0	0	110.9	L77 V91 R92 T97 T98 L99 L127 Y145 L173 F199	L77-I95 HydrophobicContact CD2-CG1 4.41Å; V91-I95 HydrophobicContact CG1-CD1 3.76Å; V91-I95 HydrophobicContact CG1-CG1 4.45Å; V91-I95 WeakPolarHBondContact O-CG1 3.37Å; V91-I95 PolarHBondContact O-N 3.4Å; R92-I95 PolarHBondContact O-N 3.19Å; I95-T97 PolarHBondContact O-N 3.41Å; I95-T98 PolarHBondContact O-N 3.37Å; I95-L99 HydrophobicContact CG2-CD1 3.91Å; I95-L99 WeakPolarHBondContact O-CG 3.37Å; I95-L99 PolarHBondContact O-N 3.28Å; I95-L127 HydrophobicContact CB-CD1 3.78Å; I95-L127 HydrophobicContact CD1-CD1 4.22Å; I95-L127 HydrophobicContact CG2-CD1 3.61Å; I95-Y145 HydrophobicContact CD1-CG 4.49Å; I95-L173 HydrophobicContact CG1-CD1 4.35Å; I95-L173 HydrophobicContact CG2-CD2 4.33Å; I95-F199 HydrophobicContact CD1-CB 4.43Å; I95-F199 HydrophobicContact CD1-CD1 3.87Å; I95-F199 HydrophobicContact CD1-CE1 4.3Å; I95-F199 HydrophobicContact CD1-CG 4.13Å; I95-F199 HydrophobicContact CG2-CD1 4.45Å; I95-F199 HydrophobicContact CG2-CD2 3.83Å; I95-F199 HydrophobicContact CG2-CE1 4.31Å; I95-F199 HydrophobicContact CG2-CE2 3.69Å; I95-F199 HydrophobicContact CG2-CG 4.22Å; I95-F199 HydrophobicContact CG2-CZ 3.93Å
96	K	98.7	Very high	98.3	Very high	67 Å²	67	40 Å²	40	29%	0.291	27%	0.267	S	S	.	.	H	α-helix	trans	-59.6	-46.2	178.2	-75.5	165.1	56.1	-170.5	0	112.2	R92 D93 H94 G100 V108 E110 L127	R92-K96 WeakPolarHBondContact O-CB 3.37Å; R92-K96 WeakPolarHBondContact O-CG 3.28Å; R92-K96 PolarHBondContact O-N 3.44Å; D93-K96 IonicContact OD1-NZ 2.9Å; H94-K96 PolarHBondContact O-N 2.91Å; K96-G100 PolarHBondContact O-N 2.89Å; K96-V108 HydrophobicContact CG-CG1 3.8Å; K96-E110 HydrophobicContact CD-CG 4.33Å; K96-E110 VanDerWaalsContact CD-OE1 3.29Å; K96-E110 WeakPolarHBondContact CD-OE1 3.2Å; K96-E110 WeakPolarHBondContact CE-OE1 3.4Å; K96-E110 IonicContact NZ-OE1 2.69Å; K96-E110 PolarHBondContact NZ-OE1 2.98Å; K96-L127 HydrophobicContact CD-CD2 3.98Å; K96-L127 HydrophobicContact CG-CD1 4.17Å; K96-L127 HydrophobicContact CG-CD2 4.09Å
97	T	98.6	Very high	98.3	Very high	99 Å²	99	41 Å²	41	61%	0.607	26%	0.258	S	S	*	.	H	α-helix	trans	-64.8	-44.8	-179.8	-59.8	0	0	0	0	110.9	D93 H94 I95 S101	D93-T97 VanDerWaalsContact O-CB 3.24Å; D93-T97 WeakPolarHBondContact O-CB 3.41Å; D93-T97 PolarHBondContact O-N 2.63Å; D93-T97 PolarHBondContact O-OG1 2.61Å; H94-T97 PolarHBondContact O-N 2.94Å; I95-T97 PolarHBondContact O-N 3.41Å; T97-S101 WeakPolarHBondContact O-CB 3.42Å; T97-S101 PolarHBondContact O-N 3.44Å; T97-S101 VanDerWaalsContact O-N 3.11Å; T97-S101 PolarHBondContact O-OG 3.23Å
98	T	98.5	Very high	98.3	Very high	20 Å²	20	42.2 Å²	42.2	12%	0.123	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-55.1	178.7	-63.6	0	0	0	0	110.4	H94 I95 G100 S101 L173	H94-T98 PolarHBondContact CE1-OG1 3.43Å; H94-T98 WeakPolarHBondContact O-CB 3.29Å; H94-T98 PolarHBondContact O-N 2.97Å; H94-T98 PolarHBondContact O-OG1 3.38Å; H94-T98 VanDerWaalsContact O-OG1 3.09Å; I95-T98 PolarHBondContact O-N 3.37Å; T98-G100 PolarHBondContact O-N 3.32Å; T98-S101 PolarHBondContact O-N 3.44Å; T98-S101 PolarHBondContact O-OG 2.94Å; T98-L173 HydrophobicContact CG2-CB 4.36Å; T98-L173 HydrophobicContact CG2-CD1 4.4Å; T98-L173 HydrophobicContact CG2-CD2 3.97Å; T98-L173 HydrophobicContact CG2-CG 4.48Å
99	L	98.7	Very high	98.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.5	-39.5	-178.4	-68.2	171.2	0	0	0	113.3	I95 S101 L102 W106 V108 A129 L173 A176 L197 F199	I95-L99 HydrophobicContact CG2-CD1 3.91Å; I95-L99 WeakPolarHBondContact O-CG 3.37Å; I95-L99 PolarHBondContact O-N 3.28Å; L99-S101 PolarHBondContact O-N 2.97Å; L99-L102 HydrophobicContact CD2-CD1 4.17Å; L99-L102 WeakPolarHBondContact O-CB 3.31Å; L99-L102 PolarHBondContact O-N 3.36Å; L99-W106 HydrophobicContact CB-CB 4.47Å; L99-V108 HydrophobicContact CB-CG2 3.84Å; L99-V108 HydrophobicContact CD1-CG2 4.45Å; L99-A129 HydrophobicContact CD1-CB 3.65Å; L99-L173 HydrophobicContact CD1-CD2 4.23Å; L99-L173 HydrophobicContact CD2-CD2 3.97Å; L99-L173 HydrophobicContact CG-CD2 3.79Å; L99-A176 HydrophobicContact CD2-CB 3.77Å; L99-L197 HydrophobicContact CD1-CD1 4.45Å; L99-L197 HydrophobicContact CD2-CD1 3.95Å; L99-F199 HydrophobicContact CD1-CE2 3.86Å; L99-F199 HydrophobicContact CD1-CZ 4.32Å
100	G	98	Very high	98.3	Very high	53 Å²	53	44.1 Å²	44.1	55%	0.546	28%	0.276	S	S	.	.	H	α-helix	trans	-68	-17.8	178.2	0	0	0	0	0	114.1	K96 T98	K96-G100 PolarHBondContact O-N 2.89Å; T98-G100 PolarHBondContact O-N 3.32Å
101	S	97.6	Very high	98.3	Very high	87 Å²	87	41.8 Å²	41.8	61%	0.608	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.7	177	75.1	0	0	0	0	114.4	T97 T98 L99	T97-S101 WeakPolarHBondContact O-CB 3.42Å; T97-S101 PolarHBondContact O-N 3.44Å; T97-S101 VanDerWaalsContact O-N 3.11Å; T97-S101 PolarHBondContact O-OG 3.23Å; T98-S101 PolarHBondContact O-N 3.44Å; T98-S101 PolarHBondContact O-OG 2.94Å; L99-S101 PolarHBondContact O-N 2.97Å
102	L	98.2	Very high	98.3	Very high	19 Å²	19	45.2 Å²	45.2	10%	0.099	28%	0.279	C	S	.	.	S	Bend	trans	-78	144.7	-175	-64.3	-178.6	0	0	0	112.5	L99 A104 G105 A176 R177 D180	L99-L102 HydrophobicContact CD2-CD1 4.17Å; L99-L102 WeakPolarHBondContact O-CB 3.31Å; L99-L102 PolarHBondContact O-N 3.36Å; L102-A104 VanDerWaalsContact C-N 3.28Å; L102-A104 PolarHBondContact O-N 3.42Å; L102-G105 PolarHBondContact O-N 3.04Å; L102-G105 VanDerWaalsContact O-N 3.14Å; L102-A176 HydrophobicContact CD1-CB 3.72Å; L102-R177 HydrophobicContact CD2-CB 4.07Å; L102-R177 HydrophobicContact CD2-CG 4.19Å; L102-D180 WeakPolarHBondContact CB-OD1 3.3Å
103	G	97.6	Very high	98.3	Very high	39 Å²	39	45.1 Å²	45.1	40%	0.402	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-19.2	-175.6	0	0	0	0	0	114.6	G105 D180	G103-G105 PolarHBondContact O-N 3.25Å; G103-D180 WeakPolarHBondContact CA-OD2 3.35Å; G103-D180 PolarHBondContact N-OD1 2.86Å; G103-D180 VanDerWaalsContact N-OD1 3.16Å; G103-D180 PolarHBondContact N-OD2 3.12Å
104	A	96.9	Very high	98.3	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.033	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.4	171.4	0	0	0	0	0	113	L102 L131 D180 L183 K184 K187	L102-A104 VanDerWaalsContact C-N 3.28Å; L102-A104 PolarHBondContact O-N 3.42Å; A104-L131 HydrophobicContact CB-CD1 3.75Å; A104-D180 WeakPolarHBondContact CB-OD1 3.48Å; A104-D180 PolarHBondContact N-OD1 3.23Å; A104-L183 HydrophobicContact CB-CB 4.07Å; A104-K184 HydrophobicContact CB-CB 4.25Å; A104-K187 WeakPolarHBondContact O-CD 3.2Å
105	G	97.1	Very high	98.3	Very high	37 Å²	37	48.1 Å²	48.1	38%	0.381	30%	0.295	S	S	.	.			trans	68.9	59.9	172.7	0	0	0	0	0	112.9	L102 G103 K187	L102-G105 PolarHBondContact O-N 3.04Å; L102-G105 VanDerWaalsContact O-N 3.14Å; G103-G105 PolarHBondContact O-N 3.25Å; G105-K187 PolarHBondContact O-NZ 3.49Å
106	W	98.4	Very high	98.3	Very high	16 Å²	16	54.3 Å²	54.3	6%	0.061	32%	0.324	C	S	.	.			trans	-63.5	137.2	177.2	-71.2	90.3	0	0	0	112.3	L99 V108 A129 L131 A176 L183 L195 L197	L99-W106 HydrophobicContact CB-CB 4.47Å; W106-V108 HydrophobicContact CB-CG2 4.25Å; W106-A129 HydrophobicContact CE3-CB 3.95Å; W106-A129 HydrophobicContact CZ3-CB 4.44Å; W106-A129 WeakPolarHBondContact CZ3-O 3.3Å; W106-L131 HydrophobicContact CD2-CB 4.4Å; W106-L131 HydrophobicContact CD2-CD1 4.37Å; W106-L131 HydrophobicContact CE3-CB 3.98Å; W106-L131 HydrophobicContact CH2-CB 4.1Å; W106-L131 HydrophobicContact CZ2-CB 4.49Å; W106-L131 HydrophobicContact CZ3-CB 3.82Å; W106-A176 HydrophobicContact CZ2-CB 4.16Å; W106-L183 HydrophobicContact CZ2-CD1 3.9Å; W106-L195 HydrophobicContact CH2-CB 4.01Å; W106-L195 HydrophobicContact CH2-CD2 3.72Å; W106-L195 HydrophobicContact CH2-CG 3.8Å; W106-L195 HydrophobicContact CZ2-CD2 4.12Å; W106-L197 HydrophobicContact CH2-CD1 3.84Å; W106-L197 HydrophobicContact CH2-CD2 4.31Å; W106-L197 HydrophobicContact CH2-CG 3.69Å; W106-L197 HydrophobicContact CZ2-CD1 4.12Å; W106-L197 HydrophobicContact CZ2-CG 4.44Å; W106-L197 HydrophobicContact CZ3-CD1 4.22Å; W106-L197 HydrophobicContact CZ3-CG 3.9Å
107	E	98.3	Very high	98.2	Very high	105 Å²	105	51.9 Å²	51.9	49%	0.491	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.6	165.9	-174.9	173.4	138.3	0	0	109	T109 A129 T130 P133	E107-T109 HydrophobicContact CG-CG2 4.24Å; E107-A129 CarbonylContact O-C 3.54Å; E107-A129 VanDerWaalsContact O-CA 3.29Å; E107-A129 WeakPolarHBondContact O-CA 3.44Å; E107-T130 PolarHBondContact N-O 2.81Å; E107-T130 PolarHBondContact O-N 3.29Å; E107-P133 HydrophobicContact CB-CG 4Å; E107-P133 HydrophobicContact CG-CG 4.43Å; E107-P133 VanDerWaalsContact OE2-CG 3.25Å; E107-P133 WeakPolarHBondContact OE2-CG 3.29Å
108	V	98.5	Very high	98.2	Very high	40 Å²	40	50.4 Å²	50.4	24%	0.242	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.6	-179.5	-168.1	0	0	0	0	109.5	K96 L99 W106 A129	K96-V108 HydrophobicContact CG-CG1 3.8Å; L99-V108 HydrophobicContact CB-CG2 3.84Å; L99-V108 HydrophobicContact CD1-CG2 4.45Å; W106-V108 HydrophobicContact CB-CG2 4.25Å; V108-A129 HydrophobicContact CG1-CB 4.37Å; V108-A129 HydrophobicContact CG2-CB 3.97Å
109	T	98.5	Very high	98	Very high	61 Å²	61	54.8 Å²	54.8	37%	0.374	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.9	-179.4	60.4	0	0	0	0	111	E107 V128	E107-T109 HydrophobicContact CG-CG2 4.24Å; T109-V128 PolarHBondContact N-O 3.23Å; T109-V128 PolarHBondContact O-N 3Å; T109-V128 PolarHBondContact OG1-O 2.95Å; T109-V128 VanDerWaalsContact OG1-O 3.14Å
110	E	98.8	Very high	97.9	Very high	87 Å²	87	55.9 Å²	55.9	41%	0.407	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.2	174	-70.3	-178	167.9	0	0	109.8	K96 T125 L127	K96-E110 HydrophobicContact CD-CG 4.33Å; K96-E110 VanDerWaalsContact CD-OE1 3.29Å; K96-E110 WeakPolarHBondContact CD-OE1 3.2Å; K96-E110 WeakPolarHBondContact CE-OE1 3.4Å; K96-E110 IonicContact NZ-OE1 2.69Å; K96-E110 PolarHBondContact NZ-OE1 2.98Å; E110-T125 HydrophobicContact CB-CG2 3.83Å; E110-T125 HydrophobicContact CG-CG2 3.91Å; E110-L127 HydrophobicContact CG-CD2 3.68Å
111	D	98.8	Very high	97.9	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.037	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	87.7	168.1	175.6	52.2	0	0	0	108.8	T125 N126 H220 L221 K224	D111-T125 WeakPolarHBondContact O-CA 3.44Å; D111-N126 HydrophobicContact CB-CB 4.13Å; D111-N126 PolarHBondContact N-O 3.47Å; D111-N126 PolarHBondContact O-N 2.86Å; D111-N126 PolarHBondContact OD2-ND2 3.06Å; D111-H220 IonicContact OD1-CE1 3.71Å; D111-H220 PolarHBondContact OD1-CE1 3.1Å; D111-H220 VanDerWaalsContact OD1-CE1 3.23Å; D111-H220 IonicContact OD1-ND1 3.89Å; D111-H220 IonicContact OD2-CE1 3.5Å; D111-H220 PolarHBondContact OD2-CE1 3.41Å; D111-H220 IonicContact OD2-ND1 3.52Å; D111-H220 PolarHBondContact OD2-ND1 3.07Å; D111-L221 HydrophobicContact CB-CD1 4.25Å; D111-K224 WeakPolarHBondContact OD1-CD 3.21Å; D111-K224 WeakPolarHBondContact OD1-CE 3.33Å; D111-K224 IonicContact OD1-NZ 3.23Å; D111-K224 PolarHBondContact OD1-NZ 3.49Å
112	S	98.8	Very high	97.9	Very high	72 Å²	72	54.6 Å²	54.6	50%	0.503	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.2	-177.1	-65.3	0	0	0	0	111.9	F124 T125	S112-F124 CarbonylContact C-O 3.23Å; S112-F124 VanDerWaalsContact CA-O 3.31Å; S112-F124 WeakPolarHBondContact CA-O 3.22Å; S112-T125 VanDerWaalsContact OG-CG2 3.26Å; S112-T125 WeakPolarHBondContact OG-CG2 3.36Å; S112-T125 PolarHBondContact OG-OG1 3.02Å
113	F	98.8	Very high	98	Very high	30 Å²	30	57.1 Å²	57.1	13%	0.132	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	166.5	179.2	65.1	-80	0	0	0	111.1	P123 F124 Y216 H220	F113-P123 WeakPolarHBondContact O-CA 3.42Å; F113-F124 HydrophobicContact CD1-CB 4.15Å; F113-F124 HydrophobicContact CD2-CB 4.36Å; F113-F124 HydrophobicContact CE1-CB 3.57Å; F113-F124 HydrophobicContact CE2-CB 3.82Å; F113-F124 HydrophobicContact CE2-CD2 4.01Å; F113-F124 HydrophobicContact CE2-CG 4.07Å; F113-F124 HydrophobicContact CZ-CB 3.37Å; F113-F124 HydrophobicContact CZ-CD2 4.34Å; F113-F124 AromaticContact CZ-CG 3.93Å; F113-F124 HydrophobicContact CZ-CG 3.93Å; F113-F124 PolarHBondContact N-O 3.1Å; F113-F124 PolarHBondContact O-N 2.96Å; F113-Y216 WeakPolarHBondContact CZ-O 3.27Å; F113-H220 HydrophobicContact CD1-CB 4.06Å; F113-H220 AromaticContact CD1-CD2 3.97Å; F113-H220 AromaticContact CD1-CE1 3.73Å; F113-H220 AromaticContact CD1-CG 3.53Å; F113-H220 AromaticContact CD1-ND1 3.37Å; F113-H220 WeakPolarHBondContact CD1-ND1 3.42Å; F113-H220 HydrophobicContact CD2-CB 4.12Å; F113-H220 AromaticContact CD2-CD2 3.75Å; F113-H220 AromaticContact CD2-CG 3.86Å; F113-H220 HydrophobicContact CE1-CB 3.73Å; F113-H220 AromaticContact CE1-CG 3.74Å; F113-H220 AromaticContact CE1-ND1 3.79Å; F113-H220 HydrophobicContact CE2-CB 3.79Å; F113-H220 HydrophobicContact CG-CB 4.26Å; F113-H220 AromaticContact CG-CD2 3.57Å; F113-H220 AromaticContact CG-CE1 3.83Å; F113-H220 AromaticContact CG-CG 3.61Å; F113-H220 AromaticContact CG-ND1 3.78Å; F113-H220 AromaticContact CG-NE2 3.73Å; F113-H220 HydrophobicContact CZ-CB 3.59Å; F113-H220 AromaticContact CZ-CG 4Å
114	E	98.5	Very high	98	Very high	137 Å²	137	55.3 Å²	55.3	64%	0.64	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	141	172.6	-170.1	-179.2	100.2	0	0	109	P121 L122	E114-P121 HydrophobicContact CG-CB 3.95Å; E114-P121 WeakPolarHBondContact OE1-CB 3.43Å; E114-L122 WeakPolarHBondContact CA-O 3.34Å
115	S	98.4	Very high	98.1	Very high	31 Å²	31	55.8 Å²	55.8	22%	0.217	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	151.1	176.2	-155.7	0	0	0	0	111.9	P121 L122	S115-P121 WeakPolarHBondContact O-CA 3.35Å; S115-L122 PolarHBondContact N-O 3.39Å; S115-L122 PolarHBondContact O-N 3.31Å
116	Q	98.2	Very high	98.2	Very high	130 Å²	130	54 Å²	54	61%	0.607	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	132.4	173.8	-66.9	-60.7	-19.5	0	0	110.3
117	T	97.9	Very high	98.2	Very high	16 Å²	16	53.3 Å²	53.3	10%	0.098	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	168.9	179.8	83.6	0	0	0	0	110.7	Y119 G120 L122 F124 L206 Y216	T117-Y119 PolarHBondContact O-N 2.89Å; T117-Y119 PolarHBondContact OG1-N 3.45Å; T117-Y119 VanDerWaalsContact OG1-N 3.11Å; T117-G120 WeakPolarHBondContact CB-O 3.28Å; T117-G120 PolarHBondContact N-O 3.26Å; T117-G120 PolarHBondContact O-N 2.92Å; T117-G120 PolarHBondContact OG1-N 3.44Å; T117-G120 PolarHBondContact OG1-O 2.88Å; T117-L122 HydrophobicContact CG2-CB 3.98Å; T117-L122 HydrophobicContact CG2-CD1 4.07Å; T117-L122 HydrophobicContact CG2-CG 4.12Å; T117-F124 HydrophobicContact CG2-CE2 3.99Å; T117-F124 HydrophobicContact CG2-CZ 3.83Å; T117-L206 HydrophobicContact CG2-CD1 3.61Å; T117-Y216 HydrophobicContact CG2-CE1 4.03Å
118	P	96.9	Very high	98.3	Very high	67 Å²	67	49 Å²	49	44%	0.435	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-19.3	171.8	-26.2	35.6	0	0	0	114.7	F207 D213	P118-F207 HydrophobicContact CB-CB 3.92Å; P118-F207 HydrophobicContact CG-CB 3.94Å; P118-D213 HydrophobicContact CG-CB 4.04Å; P118-D213 WeakPolarHBondContact CG-OD2 3.44Å
119	Y	95.4	Very high	98.3	Very high	112 Å²	112	47.1 Å²	47.1	44%	0.439	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	12.4	178.9	-58.6	-75.8	0	0	0	113.5	T117 Y149 L206 F207	T117-Y119 PolarHBondContact O-N 2.89Å; T117-Y119 PolarHBondContact OG1-N 3.45Å; T117-Y119 VanDerWaalsContact OG1-N 3.11Å; Y119-Y149 HydrophobicContact CE2-CD1 4.06Å; Y119-Y149 HydrophobicContact CE2-CE1 4.01Å; Y119-Y149 AromaticContact CZ-CE1 3.92Å; Y119-L206 HydrophobicContact CD2-CB 4.09Å; Y119-L206 HydrophobicContact CE2-CB 4Å; Y119-L206 WeakPolarHBondContact CE2-O 3.25Å; Y119-F207 HydrophobicContact CE2-CB 4.29Å
120	G	96.9	Very high	98.3	Very high	23 Å²	23	44.9 Å²	44.9	24%	0.237	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.3	-174.5	-174.3	0	0	0	0	0	112.9	T117 L122	T117-G120 WeakPolarHBondContact CB-O 3.28Å; T117-G120 PolarHBondContact N-O 3.26Å; T117-G120 PolarHBondContact O-N 2.92Å; T117-G120 PolarHBondContact OG1-N 3.44Å; T117-G120 PolarHBondContact OG1-O 2.88Å; G120-L122 PolarHBondContact O-N 3.48Å
121	P	97.8	Very high	98.2	Very high	68 Å²	68	40.7 Å²	40.7	44%	0.442	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	132.8	179.2	25.6	-32.3	0	0	0	111.2	E114 S115	E114-P121 HydrophobicContact CG-CB 3.95Å; E114-P121 WeakPolarHBondContact OE1-CB 3.43Å; S115-P121 WeakPolarHBondContact O-CA 3.35Å
122	L	98.1	Very high	98.1	Very high	46 Å²	46	41.2 Å²	41.2	24%	0.241	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.1	174.5	-69.9	179.5	0	0	0	111.1	E114 S115 T117 G120 F124 L206	E114-L122 WeakPolarHBondContact CA-O 3.34Å; S115-L122 PolarHBondContact N-O 3.39Å; S115-L122 PolarHBondContact O-N 3.31Å; T117-L122 HydrophobicContact CG2-CB 3.98Å; T117-L122 HydrophobicContact CG2-CD1 4.07Å; T117-L122 HydrophobicContact CG2-CG 4.12Å; G120-L122 PolarHBondContact O-N 3.48Å; L122-F124 HydrophobicContact CB-CE2 4Å; L122-F124 HydrophobicContact CB-CZ 4.34Å; L122-F124 VanDerWaalsContact O-CD2 3.24Å; L122-F124 WeakPolarHBondContact O-CD2 3.43Å; L122-F124 VanDerWaalsContact O-CE2 3.29Å; L122-F124 WeakPolarHBondContact O-CE2 3.45Å; L122-L206 HydrophobicContact CD1-CD1 3.78Å
123	P	98.4	Very high	97.9	Very high	72 Å²	72	40.3 Å²	40.3	47%	0.468	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	142.8	171.9	33.5	-33.9	0	0	0	111.1	F113	F113-P123 WeakPolarHBondContact O-CA 3.42Å
124	F	98.9	Very high	97.6	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.1	174.1	-62	-96.6	0	0	0	108.7	P83 S112 F113 T117 L122 D201 L206 Y216	P83-F124 HydrophobicContact CB-CD1 3.75Å; P83-F124 HydrophobicContact CB-CE1 3.56Å; P83-F124 HydrophobicContact CB-CZ 4.27Å; P83-F124 HydrophobicContact CG-CD1 3.94Å; P83-F124 HydrophobicContact CG-CE1 3.59Å; S112-F124 CarbonylContact C-O 3.23Å; S112-F124 VanDerWaalsContact CA-O 3.31Å; S112-F124 WeakPolarHBondContact CA-O 3.22Å; F113-F124 HydrophobicContact CD1-CB 4.15Å; F113-F124 HydrophobicContact CD2-CB 4.36Å; F113-F124 HydrophobicContact CE1-CB 3.57Å; F113-F124 HydrophobicContact CE2-CB 3.82Å; F113-F124 HydrophobicContact CE2-CD2 4.01Å; F113-F124 HydrophobicContact CE2-CG 4.07Å; F113-F124 HydrophobicContact CZ-CB 3.37Å; F113-F124 HydrophobicContact CZ-CD2 4.34Å; F113-F124 AromaticContact CZ-CG 3.93Å; F113-F124 HydrophobicContact CZ-CG 3.93Å; F113-F124 PolarHBondContact N-O 3.1Å; F113-F124 PolarHBondContact O-N 2.96Å; T117-F124 HydrophobicContact CG2-CE2 3.99Å; T117-F124 HydrophobicContact CG2-CZ 3.83Å; L122-F124 HydrophobicContact CB-CE2 4Å; L122-F124 HydrophobicContact CB-CZ 4.34Å; L122-F124 VanDerWaalsContact O-CD2 3.24Å; L122-F124 WeakPolarHBondContact O-CD2 3.43Å; L122-F124 VanDerWaalsContact O-CE2 3.29Å; L122-F124 WeakPolarHBondContact O-CE2 3.45Å; F124-D201 WeakPolarHBondContact CA-OD2 3.17Å; F124-D201 HydrophobicContact CB-CB 4.34Å; F124-L206 HydrophobicContact CZ-CD1 4.45Å; F124-Y216 HydrophobicContact CD1-CG 4.26Å; F124-Y216 HydrophobicContact CE1-CD1 4.14Å; F124-Y216 AromaticContact CE1-CD2 3.73Å; F124-Y216 HydrophobicContact CE1-CD2 3.73Å; F124-Y216 HydrophobicContact CE1-CE2 4.45Å; F124-Y216 AromaticContact CE1-CG 3.54Å; F124-Y216 HydrophobicContact CE1-CG 3.54Å; F124-Y216 HydrophobicContact CE2-CD1 4.02Å; F124-Y216 HydrophobicContact CE2-CG 4.24Å; F124-Y216 AromaticContact CZ-CD1 3.65Å; F124-Y216 HydrophobicContact CZ-CD1 3.65Å; F124-Y216 AromaticContact CZ-CD2 3.87Å; F124-Y216 HydrophobicContact CZ-CD2 3.87Å; F124-Y216 HydrophobicContact CZ-CE1 4.06Å; F124-Y216 HydrophobicContact CZ-CE2 4.25Å; F124-Y216 AromaticContact CZ-CG 3.54Å; F124-Y216 HydrophobicContact CZ-CG 3.54Å
125	T	98.9	Very high	97.5	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.08	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	103	179	-60.5	0	0	0	0	110.6	E110 D111 S112 L127 Y145 D201	E110-T125 HydrophobicContact CB-CG2 3.83Å; E110-T125 HydrophobicContact CG-CG2 3.91Å; D111-T125 WeakPolarHBondContact O-CA 3.44Å; S112-T125 VanDerWaalsContact OG-CG2 3.26Å; S112-T125 WeakPolarHBondContact OG-CG2 3.36Å; S112-T125 PolarHBondContact OG-OG1 3.02Å; T125-L127 HydrophobicContact CG2-CD2 4.41Å; T125-Y145 VanDerWaalsContact O-CE1 3.3Å; T125-Y145 WeakPolarHBondContact O-CE1 3.15Å; T125-Y145 PolarHBondContact O-OH 3.2Å; T125-D201 PolarHBondContact N-OD2 2.82Å
126	N	98.9	Very high	97.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	151.3	167.9	-52.4	-59.6	0	0	0	110	D111 F199 F200 D201 G217	D111-N126 HydrophobicContact CB-CB 4.13Å; D111-N126 PolarHBondContact N-O 3.47Å; D111-N126 PolarHBondContact O-N 2.86Å; D111-N126 PolarHBondContact OD2-ND2 3.06Å; N126-F199 WeakPolarHBondContact CA-O 3.49Å; N126-F200 WeakPolarHBondContact OD1-CA 3.47Å; N126-D201 PolarHBondContact OD1-N 2.77Å; N126-G217 PolarHBondContact ND2-O 2.86Å; N126-G217 WeakPolarHBondContact OD1-CA 3.42Å
127	L	98.9	Very high	97.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.8	167.9	-57.2	-179.6	0	0	0	110.2	R92 I95 K96 E110 T125 I198 F199	R92-L127 HydrophobicContact CB-CD1 4.12Å; R92-L127 HydrophobicContact CB-CD2 4.49Å; R92-L127 HydrophobicContact CG-CD1 4.15Å; R92-L127 HydrophobicContact CG-CD2 4.41Å; R92-L127 HydrophobicContact CG-CG 4.31Å; I95-L127 HydrophobicContact CB-CD1 3.78Å; I95-L127 HydrophobicContact CD1-CD1 4.22Å; I95-L127 HydrophobicContact CG2-CD1 3.61Å; K96-L127 HydrophobicContact CD-CD2 3.98Å; K96-L127 HydrophobicContact CG-CD1 4.17Å; K96-L127 HydrophobicContact CG-CD2 4.09Å; E110-L127 HydrophobicContact CG-CD2 3.68Å; T125-L127 HydrophobicContact CG2-CD2 4.41Å; L127-I198 WeakPolarHBondContact O-CA 3.5Å; L127-F199 HydrophobicContact CB-CB 4.17Å; L127-F199 HydrophobicContact CB-CD2 4.19Å; L127-F199 PolarHBondContact N-O 3.2Å; L127-F199 PolarHBondContact O-N 3.21Å
128	V	98.9	Very high	97.5	Very high	15 Å²	15	30.8 Å²	30.8	9%	0.091	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	111.2	175.4	-176.8	0	0	0	0	108.5	T109 Q196 I198 L221	T109-V128 PolarHBondContact N-O 3.23Å; T109-V128 PolarHBondContact O-N 3Å; T109-V128 PolarHBondContact OG1-O 2.95Å; T109-V128 VanDerWaalsContact OG1-O 3.14Å; V128-Q196 HydrophobicContact CG1-CG 4.05Å; V128-I198 HydrophobicContact CG1-CG1 4.43Å; V128-I198 HydrophobicContact CG2-CG1 4.47Å; V128-L221 HydrophobicContact CG2-CD1 4.18Å; V128-L221 HydrophobicContact CG2-CD2 3.8Å
129	A	98.9	Very high	97.6	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118.3	175.8	0	0	0	0	0	110	L99 W106 E107 V108 Q196 L197	L99-A129 HydrophobicContact CD1-CB 3.65Å; W106-A129 HydrophobicContact CE3-CB 3.95Å; W106-A129 HydrophobicContact CZ3-CB 4.44Å; W106-A129 WeakPolarHBondContact CZ3-O 3.3Å; E107-A129 CarbonylContact O-C 3.54Å; E107-A129 VanDerWaalsContact O-CA 3.29Å; E107-A129 WeakPolarHBondContact O-CA 3.44Å; V108-A129 HydrophobicContact CG1-CB 4.37Å; V108-A129 HydrophobicContact CG2-CB 3.97Å; A129-Q196 CarbonylContact O-C 3.47Å; A129-Q196 WeakPolarHBondContact O-CA 3.32Å; A129-L197 HydrophobicContact CB-CB 4.28Å; A129-L197 PolarHBondContact N-O 2.61Å; A129-L197 PolarHBondContact O-N 3.48Å
130	T	98.6	Very high	97.7	Very high	13 Å²	13	22.3 Å²	22.3	8%	0.08	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.6	-177.7	-52.4	0	0	0	0	110.3	E107 P133 Q196	E107-T130 PolarHBondContact N-O 2.81Å; E107-T130 PolarHBondContact O-N 3.29Å; T130-P133 HydrophobicContact CG2-CB 4.46Å; T130-P133 HydrophobicContact CG2-CG 4.3Å; T130-Q196 PolarHBondContact OG1-NE2 3.41Å
131	L	97.6	Very high	97.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-70.7	-48.2	-177.5	178.9	63.8	0	0	0	111.8	A104 W106 L183 K187 L195	A104-L131 HydrophobicContact CB-CD1 3.75Å; W106-L131 HydrophobicContact CD2-CB 4.4Å; W106-L131 HydrophobicContact CD2-CD1 4.37Å; W106-L131 HydrophobicContact CE3-CB 3.98Å; W106-L131 HydrophobicContact CH2-CB 4.1Å; W106-L131 HydrophobicContact CZ2-CB 4.49Å; W106-L131 HydrophobicContact CZ3-CB 3.82Å; L131-L183 HydrophobicContact CD2-CB 3.91Å; L131-L183 HydrophobicContact CD2-CD2 4.02Å; L131-L183 HydrophobicContact CD2-CG 4.48Å; L131-K187 HydrophobicContact CD1-CB 4.3Å; L131-K187 HydrophobicContact CD1-CD 3.98Å; L131-K187 HydrophobicContact CD2-CB 4.38Å; L131-K187 HydrophobicContact CG-CB 4.11Å; L131-K187 HydrophobicContact CG-CD 4.26Å; L131-K187 WeakPolarHBondContact O-CD 3.49Å; L131-K187 WeakPolarHBondContact O-CE 3.31Å; L131-K187 PolarHBondContact O-NZ 2.67Å; L131-L195 WeakPolarHBondContact CB-O 3.19Å; L131-L195 HydrophobicContact CD2-CB 4.49Å; L131-L195 PolarHBondContact N-O 3.16Å
132	N	96	Very high	97.9	Very high	18 Å²	18	18.3 Å²	18.3	10%	0.096	11%	0.113	C	C	.	.			trans	-129.5	95	172.8	-177.7	9.8	0	0	0	111	S134 A135 H138 K187 T194	N132-S134 PolarHBondContact O-N 2.56Å; N132-S134 VanDerWaalsContact O-N 3.12Å; N132-S134 PolarHBondContact OD1-N 2.88Å; N132-S134 VanDerWaalsContact OD1-N 3.16Å; N132-S134 PolarHBondContact OD1-OG 2.76Å; N132-A135 HydrophobicContact CB-CB 4.17Å; N132-A135 WeakPolarHBondContact O-CB 3.38Å; N132-A135 PolarHBondContact O-N 2.86Å; N132-A135 VanDerWaalsContact O-N 3.12Å; N132-H138 PolarHBondContact O-NE2 2.69Å; N132-K187 HydrophobicContact CB-CG 4.39Å; N132-T194 HydrophobicContact CB-CG2 4.02Å; N132-T194 WeakPolarHBondContact O-CG2 3.42Å
133	P	94.8	Very high	97.9	Very high	52 Å²	52	16.1 Å²	16.1	34%	0.338	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.5	179.2	-22.6	30.5	0	0	0	114.6	E107 T130	E107-P133 HydrophobicContact CB-CG 4Å; E107-P133 HydrophobicContact CG-CG 4.43Å; E107-P133 VanDerWaalsContact OE2-CG 3.25Å; E107-P133 WeakPolarHBondContact OE2-CG 3.29Å; T130-P133 HydrophobicContact CG2-CB 4.46Å; T130-P133 HydrophobicContact CG2-CG 4.3Å
134	S	92	Very high	97.9	Very high	92 Å²	92	12.7 Å²	12.7	64%	0.643	8%	0.079	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-15.1	179.8	73.2	0	0	0	0	114.2	N132	N132-S134 PolarHBondContact O-N 2.56Å; N132-S134 VanDerWaalsContact O-N 3.12Å; N132-S134 PolarHBondContact OD1-N 2.88Å; N132-S134 VanDerWaalsContact OD1-N 3.16Å; N132-S134 PolarHBondContact OD1-OG 2.76Å
135	A	96.6	Very high	97.9	Very high	3 Å²	3	12.7 Å²	12.7	3%	0.025	8%	0.079	C	C	.	.			trans	-64.8	138.2	173.7	0	0	0	0	0	109.3	N132 R137 H138 T194 H230	N132-A135 HydrophobicContact CB-CB 4.17Å; N132-A135 WeakPolarHBondContact O-CB 3.38Å; N132-A135 PolarHBondContact O-N 2.86Å; N132-A135 VanDerWaalsContact O-N 3.12Å; A135-R137 VanDerWaalsContact C-N 3.32Å; A135-H138 PolarHBondContact O-CE1 2.86Å; A135-T194 HydrophobicContact CB-CG2 3.63Å; A135-H230 PolarHBondContact O-CE1 3.28Å; A135-H230 VanDerWaalsContact O-CE1 3.31Å; A135-H230 PolarHBondContact O-NE2 3.2Å; A135-H230 VanDerWaalsContact O-NE2 3.1Å
136	T	97.1	Very high	97.9	Very high	23 Å²	23	12.1 Å²	12.1	14%	0.141	8%	0.075	C	C	.	.	S	Bend	trans	-75.5	-22.7	-177.4	52.1	0	0	0	0	113.2	W40 N192 H230 P231 G242	W40-T136 WeakPolarHBondContact CH2-O 3.3Å; W40-T136 WeakPolarHBondContact CZ3-O 3.44Å; T136-N192 PolarHBondContact N-O 3.33Å; T136-N192 VanDerWaalsContact N-O 3.16Å; T136-N192 PolarHBondContact OG1-O 2.72Å; T136-H230 WeakPolarHBondContact CA-NE2 3.35Å; T136-H230 PolarHBondContact O-CD2 2.82Å; T136-H230 PolarHBondContact O-NE2 3.12Å; T136-P231 HydrophobicContact CG2-CB 4.3Å; T136-P231 HydrophobicContact CG2-CG 4.2Å; T136-G242 VanDerWaalsContact O-CA 3.23Å; T136-G242 WeakPolarHBondContact O-CA 3.5Å
137	R	98.4	Very high	97.9	Very high	17 Å²	17	12.1 Å²	12.1	6%	0.064	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.1	-174.2	-65.5	165.7	58	-146.2	-11.1	111.2	W40 E43 A135 N192 L193 T194 G242 D244	W40-R137 HydrophobicContact CE3-CG 3.78Å; W40-R137 HydrophobicContact CZ3-CG 3.86Å; E43-R137 VanDerWaalsContact CB-NH1 3.25Å; E43-R137 WeakPolarHBondContact OE2-CD 3.25Å; E43-R137 IonicContact OE2-CZ 3.04Å; E43-R137 IonicContact OE2-NE 2.85Å; E43-R137 IonicContact OE2-NH1 3.23Å; E43-R137 PolarHBondContact OE2-NH1 3.43Å; A135-R137 VanDerWaalsContact C-N 3.32Å; R137-N192 WeakPolarHBondContact CB-O 3.47Å; R137-N192 PolarHBondContact N-O 3.26Å; R137-L193 HydrophobicContact CB-CB 4.43Å; R137-L193 HydrophobicContact CB-CD1 3.96Å; R137-L193 CarbonylContact O-C 3.52Å; R137-L193 VanDerWaalsContact O-CA 3.25Å; R137-L193 WeakPolarHBondContact O-CA 3.44Å; R137-T194 PolarHBondContact O-N 3.14Å; R137-G242 CarbonylContact C-O 3.52Å; R137-G242 VanDerWaalsContact CA-O 3.27Å; R137-G242 WeakPolarHBondContact CA-O 3.23Å; R137-D244 IonicContact CZ-OD1 3.82Å; R137-D244 VanDerWaalsContact CZ-OD1 3.3Å; R137-D244 IonicContact CZ-OD2 3.67Å; R137-D244 IonicContact NE-OD1 2.67Å; R137-D244 PolarHBondContact NE-OD1 3.4Å; R137-D244 IonicContact NE-OD2 3.75Å; R137-D244 VanDerWaalsContact NH2-CG 3.27Å; R137-D244 IonicContact NH2-OD1 3.74Å; R137-D244 PolarHBondContact NH2-OD1 3.48Å; R137-D244 IonicContact NH2-OD2 2.69Å; R137-D244 PolarHBondContact NH2-OD2 3.47Å
138	H	98.5	Very high	97.9	Very high	10 Å²	10	13.5 Å²	13.5	5%	0.046	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	123.8	-179.3	-54.6	78.1	0	0	0	110.5	N132 A135 V140 T194 Q196 H230 G242 D244	N132-H138 PolarHBondContact O-NE2 2.69Å; A135-H138 PolarHBondContact O-CE1 2.86Å; H138-V140 HydrophobicContact CB-CG2 4.07Å; H138-V140 PolarHBondContact O-N 2.73Å; H138-T194 WeakPolarHBondContact CA-O 3.41Å; H138-T194 WeakPolarHBondContact CD2-CG2 3.43Å; H138-T194 WeakPolarHBondContact NE2-CG2 3.41Å; H138-Q196 HydrophobicContact CB-CB 4.03Å; H138-H230 AromaticContact CE1-CE1 3.85Å; H138-H230 AromaticContact CE1-NE2 3.64Å; H138-G242 PolarHBondContact N-O 3.4Å; H138-D244 VanDerWaalsContact O-CB 3.28Å; H138-D244 WeakPolarHBondContact O-CB 3.37Å; H138-D244 PolarHBondContact O-N 3.06Å
139	L	98.9	Very high	97.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	124.1	152.9	175.2	63.7	0	0	0	106.6	L141 T194 L195 Q196 L245 V247 F356 V357 Y360 L361	L139-L141 HydrophobicContact CG-CD2 4.46Å; L139-T194 PolarHBondContact N-O 3.32Å; L139-L195 HydrophobicContact CB-CD1 4.21Å; L139-L195 HydrophobicContact CD2-CD1 4.02Å; L139-L195 HydrophobicContact CG-CD1 4.08Å; L139-Q196 PolarHBondContact O-N 3.14Å; L139-L245 HydrophobicContact CD1-CB 4Å; L139-L245 HydrophobicContact CD1-CD2 4.19Å; L139-L245 HydrophobicContact CD1-CG 4.46Å; L139-V247 HydrophobicContact CD1-CG2 3.94Å; L139-F356 HydrophobicContact CD2-CE1 4.46Å; L139-V357 HydrophobicContact CD2-CG2 4.2Å; L139-Y360 HydrophobicContact CB-CD1 3.85Å; L139-Y360 HydrophobicContact CB-CE1 3.93Å; L139-Y360 HydrophobicContact CD1-CD1 4.08Å; L139-Y360 HydrophobicContact CD1-CD2 4.2Å; L139-Y360 HydrophobicContact CD1-CE1 4.08Å; L139-Y360 HydrophobicContact CD1-CE2 4.17Å; L139-Y360 HydrophobicContact CD1-CG 4.18Å; L139-Y360 HydrophobicContact CD2-CD1 3.8Å; L139-Y360 HydrophobicContact CD2-CG 3.82Å; L139-Y360 HydrophobicContact CG-CD1 4.13Å; L139-Y360 HydrophobicContact CG-CE1 4.41Å; L139-Y360 HydrophobicContact CG-CG 4.44Å; L139-L361 HydrophobicContact CB-CD2 4.25Å
140	V	98.9	Very high	97.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.7	-178.4	-173.5	0	0	0	0	108.8	H138 Q196 I198 M243 L245 L246 V247	H138-V140 HydrophobicContact CB-CG2 4.07Å; H138-V140 PolarHBondContact O-N 2.73Å; V140-Q196 WeakPolarHBondContact CA-O 3.49Å; V140-Q196 HydrophobicContact CG2-CB 4.28Å; V140-I198 HydrophobicContact CG1-CD1 3.59Å; V140-I198 HydrophobicContact CG1-CG1 3.84Å; V140-M243 HydrophobicContact CB-CE 4.06Å; V140-M243 HydrophobicContact CG1-CE 4.04Å; V140-M243 HydrophobicContact CG2-CB 4.39Å; V140-M243 HydrophobicContact CG2-CE 3.77Å; V140-M243 HydrophobicContact CG2-CG 4.06Å; V140-L245 PolarHBondContact N-O 3.27Å; V140-L246 HydrophobicContact CB-CD1 4.05Å; V140-L246 HydrophobicContact CG1-CD1 3.67Å; V140-V247 PolarHBondContact O-N 2.86Å
141	L	99	Very high	96.8	Very high	7 Å²	7	17.9 Å²	17.9	4%	0.037	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	137.7	163.6	-50.3	-175.1	0	0	0	108.4	L139 M172 L175 L195 Q196 L197 I198 V247 V357	L139-L141 HydrophobicContact CG-CD2 4.46Å; L141-M172 HydrophobicContact CB-CE 4.27Å; L141-M172 HydrophobicContact CB-CG 4.44Å; L141-M172 HydrophobicContact CB-SD 4.42Å; L141-M172 WeakPolarHBondContact O-CE 3.35Å; L141-L175 HydrophobicContact CD1-CD1 4.07Å; L141-L175 HydrophobicContact CD1-CD2 4.29Å; L141-L195 HydrophobicContact CD1-CD1 4.46Å; L141-L195 HydrophobicContact CG-CD1 4.14Å; L141-Q196 PolarHBondContact N-O 3.14Å; L141-L197 HydrophobicContact CB-CD2 3.82Å; L141-L197 HydrophobicContact CD1-CD2 4Å; L141-L197 HydrophobicContact CG-CD2 4.11Å; L141-L197 CarbonylContact O-C 3.49Å; L141-L197 VanDerWaalsContact O-CA 3.3Å; L141-L197 WeakPolarHBondContact O-CA 3.24Å; L141-I198 PolarHBondContact O-N 2.61Å; L141-V247 CarbonylContact C-O 3.55Å; L141-V247 WeakPolarHBondContact CA-O 3.47Å; L141-V247 HydrophobicContact CD2-CB 3.63Å; L141-V247 HydrophobicContact CD2-CG1 4.14Å; L141-V247 HydrophobicContact CD2-CG2 3.93Å; L141-V357 HydrophobicContact CD1-CG2 3.92Å; L141-V357 HydrophobicContact CD2-CG2 4.33Å
142	A	99	Very high	95.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	157.1	178.5	0	0	0	0	0	112.8	I198 F200 L246 V247 L248 L249	A142-I198 WeakPolarHBondContact CA-O 3.22Å; A142-I198 HydrophobicContact CB-CB 4.02Å; A142-F200 HydrophobicContact CB-CD2 4.25Å; A142-F200 HydrophobicContact CB-CE2 3.61Å; A142-F200 HydrophobicContact CB-CZ 4.41Å; A142-L246 HydrophobicContact CB-CD1 3.69Å; A142-V247 PolarHBondContact N-O 3.42Å; A142-L248 HydrophobicContact CB-CD1 4.05Å; A142-L249 PolarHBondContact O-N 2.88Å
143	C	99	Very high	95.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	171.2	163.7	59.6	0	0	0	0	107.9	P168 C169 M172 I198 F199 F200 L249	C143-P168 HydrophobicContact CB-CB 3.59Å; C143-C169 PolarHBondContact SG-SG 3.31Å; C143-M172 HydrophobicContact CB-SD 4.08Å; C143-M172 PolarHBondContact SG-SD 3.46Å; C143-I198 PolarHBondContact N-O 3.36Å; C143-I198 VanDerWaalsContact N-O 3.17Å; C143-F199 CarbonylContact O-C 3.58Å; C143-F199 VanDerWaalsContact O-CA 3.32Å; C143-F199 WeakPolarHBondContact O-CA 3.32Å; C143-F200 PolarHBondContact O-N 2.89Å; C143-L249 VanDerWaalsContact CB-O 3.29Å; C143-L249 WeakPolarHBondContact CB-O 3.46Å
144	H	98.9	Very high	94.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	143.3	166.7	73.7	105.1	0	0	0	110.2	D146 D164 S165 C169 F200 E203 D250	H144-D146 IonicContact CG-OD1 3.76Å; H144-D146 PolarHBondContact ND1-O 3.46Å; H144-D146 IonicContact ND1-OD1 3.87Å; H144-D146 PolarHBondContact ND1-OD1 2.86Å; H144-D146 VanDerWaalsContact ND1-OD1 3.07Å; H144-D164 IonicContact CE1-OD1 3.55Å; H144-D164 PolarHBondContact CE1-OD1 3.03Å; H144-D164 IonicContact NE2-OD1 2.83Å; H144-D164 PolarHBondContact NE2-OD1 2.8Å; H144-D164 VanDerWaalsContact NE2-OD1 3.12Å; H144-S165 VanDerWaalsContact CD2-CB 3.46Å; H144-S165 WeakPolarHBondContact CD2-CB 3.37Å; H144-S165 PolarHBondContact CD2-OG 3.15Å; H144-S165 WeakPolarHBondContact NE2-CB 3.34Å; H144-S165 PolarHBondContact NE2-OG 2.88Å; H144-S165 VanDerWaalsContact O-CB 3.24Å; H144-S165 WeakPolarHBondContact O-CB 3.49Å; H144-C169 PolarHBondContact O-SG 2.78Å; H144-F200 CarbonylContact C-O 3.53Å; H144-F200 WeakPolarHBondContact CA-O 3.38Å; H144-F200 HydrophobicContact CB-CB 4.2Å; H144-E203 HydrophobicContact CB-CB 3.39Å; H144-E203 HydrophobicContact CB-CG 4.02Å; H144-E203 VanDerWaalsContact CG-CB 3.48Å; H144-D250 IonicContact CD2-OD1 2.78Å; H144-D250 IonicContact NE2-OD1 3.69Å; H144-D250 PolarHBondContact NE2-OD1 3.06Å
145	Y	98.9	Very high	93.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.154	C	C	.	.			trans	-102.3	-13.7	178.9	82	-91.5	0	0	0	112.7	R81 S88 V91 R92 I95 T125 F199 F200 D201	R81-Y145 WeakPolarHBondContact CD-O 3.29Å; R81-Y145 PolarHBondContact NE-O 3.27Å; S88-Y145 PolarHBondContact OG-OH 3Å; V91-Y145 HydrophobicContact CB-CD2 4.27Å; V91-Y145 HydrophobicContact CG1-CD2 3.5Å; V91-Y145 HydrophobicContact CG1-CE2 4.31Å; V91-Y145 HydrophobicContact CG1-CG 4.19Å; R92-Y145 VanDerWaalsContact CD-OH 3.22Å; R92-Y145 WeakPolarHBondContact CD-OH 3.38Å; R92-Y145 HydrophobicContact CG-CD2 4.47Å; R92-Y145 HydrophobicContact CG-CE1 4.13Å; R92-Y145 HydrophobicContact CG-CE2 3.64Å; R92-Y145 VanDerWaalsContact CG-CZ 3.46Å; R92-Y145 WeakPolarHBondContact CG-OH 3.34Å; R92-Y145 PolarHBondContact NH1-OH 3.41Å; I95-Y145 HydrophobicContact CD1-CG 4.49Å; T125-Y145 VanDerWaalsContact O-CE1 3.3Å; T125-Y145 WeakPolarHBondContact O-CE1 3.15Å; T125-Y145 PolarHBondContact O-OH 3.2Å; Y145-F199 HydrophobicContact CD1-CB 4.1Å; Y145-F200 WeakPolarHBondContact CD1-O 3.31Å; Y145-F200 PolarHBondContact N-O 3.23Å; Y145-D201 HydrophobicContact CE1-CB 3.54Å; Y145-D201 PolarHBondContact OH-OD1 3.04Å; Y145-D201 PolarHBondContact OH-OD2 2.87Å
146	D	98.9	Very high	92.7	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.197	C	C	.	.			trans	-68.5	167.8	176.3	71.1	-61.6	0	0	0	111.2	R81 P83 H144 G202 E203 E204	R81-D146 WeakPolarHBondContact O-CA 3.46Å; P83-D146 HydrophobicContact CG-CB 4.36Å; H144-D146 IonicContact CG-OD1 3.76Å; H144-D146 PolarHBondContact ND1-O 3.46Å; H144-D146 IonicContact ND1-OD1 3.87Å; H144-D146 PolarHBondContact ND1-OD1 2.86Å; H144-D146 VanDerWaalsContact ND1-OD1 3.07Å; D146-G202 PolarHBondContact OD1-N 3.14Å; D146-G202 WeakPolarHBondContact OD2-CA 3.35Å; D146-E203 PolarHBondContact OD1-N 3.17Å; D146-E203 VanDerWaalsContact OD1-N 3.1Å; D146-E204 PolarHBondContact OD2-N 3.47Å
147	S	98.6	Very high	92.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.			trans	-123.2	142.1	170.2	64.5	0	0	0	0	107.9	R81 Y82 Y149	R81-S147 WeakPolarHBondContact CG-OG 3.35Å; R81-S147 PolarHBondContact N-OG 3.05Å; R81-S147 PolarHBondContact O-N 3.21Å; Y82-S147 VanDerWaalsContact CA-O 3.26Å; Y82-S147 WeakPolarHBondContact CA-O 3.24Å; Y82-S147 VanDerWaalsContact CB-O 3.27Å; Y82-S147 WeakPolarHBondContact CB-O 3.42Å; Y82-S147 PolarHBondContact N-OG 2.77Å; S147-Y149 PolarHBondContact O-N 3.3Å
148	K	98.1	Very high	91.7	Very high	31 Å²	31	47 Å²	47	14%	0.135	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-50	131.1	177	-170.3	167.9	-162.1	62	0	113.1	F150 F159 E204 A205	K148-F150 HydrophobicContact CB-CD2 4.44Å; K148-F150 HydrophobicContact CB-CE2 4.02Å; K148-F150 HydrophobicContact CD-CE2 3.96Å; K148-F150 HydrophobicContact CD-CZ 4.16Å; K148-F150 HydrophobicContact CG-CD2 4.35Å; K148-F150 HydrophobicContact CG-CE2 3.97Å; K148-F150 PolarHBondContact O-N 3.3Å; K148-F159 HydrophobicContact CB-CD1 3.85Å; K148-F159 HydrophobicContact CB-CE1 3.62Å; K148-E204 HydrophobicContact CB-CB 4.26Å; K148-E204 HydrophobicContact CB-CG 3.83Å; K148-E204 HydrophobicContact CG-CB 4.4Å; K148-E204 HydrophobicContact CG-CG 4.32Å; K148-E204 IonicContact NZ-OE2 3.42Å; K148-E204 PolarHBondContact NZ-OE2 3.5Å; K148-A205 PolarHBondContact NZ-O 3.3Å
149	Y	95.9	Very high	91.5	Very high	52 Å²	52	46.8 Å²	46.8	20%	0.204	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-74.5	120.9	172.9	177.1	-111.6	0	0	0	110.9	Y82 Y119 S147 P151	Y82-Y149 AromaticContact CD1-CD2 3.7Å; Y82-Y149 HydrophobicContact CD1-CD2 3.7Å; Y82-Y149 HydrophobicContact CD1-CE2 4.49Å; Y82-Y149 HydrophobicContact CD2-CD2 4.01Å; Y82-Y149 AromaticContact CE1-CD2 3.83Å; Y82-Y149 HydrophobicContact CE1-CD2 3.83Å; Y82-Y149 HydrophobicContact CE1-CE2 4.16Å; Y82-Y149 HydrophobicContact CE2-CD2 4.12Å; Y82-Y149 HydrophobicContact CE2-CE2 4.38Å; Y82-Y149 AromaticContact CG-CD2 3.81Å; Y82-Y149 HydrophobicContact CG-CD2 3.81Å; Y82-Y149 HydrophobicContact CG-CG 4.44Å; Y119-Y149 HydrophobicContact CE2-CD1 4.06Å; Y119-Y149 HydrophobicContact CE2-CE1 4.01Å; Y119-Y149 AromaticContact CZ-CE1 3.92Å; S147-Y149 PolarHBondContact O-N 3.3Å; Y149-P151 HydrophobicContact CE1-CB 3.89Å
150	F	92.6	Very high	91.4	Very high	47 Å²	47	49.1 Å²	49.1	21%	0.206	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-101.9	117.7	169	-80.2	-94.8	0	0	0	110	K148 W154 F159 H332 F334	K148-F150 HydrophobicContact CB-CD2 4.44Å; K148-F150 HydrophobicContact CB-CE2 4.02Å; K148-F150 HydrophobicContact CD-CE2 3.96Å; K148-F150 HydrophobicContact CD-CZ 4.16Å; K148-F150 HydrophobicContact CG-CD2 4.35Å; K148-F150 HydrophobicContact CG-CE2 3.97Å; K148-F150 PolarHBondContact O-N 3.3Å; F150-W154 HydrophobicContact CB-CG 4.45Å; F150-W154 AromaticContact CD1-CD1 3.85Å; F150-W154 HydrophobicContact CD1-CG 4.41Å; F150-W154 AromaticContact CD1-NE1 3.78Å; F150-F159 HydrophobicContact CD2-CB 3.32Å; F150-F159 AromaticContact CD2-CD1 3.95Å; F150-F159 HydrophobicContact CD2-CD1 3.95Å; F150-F159 HydrophobicContact CD2-CD2 4.22Å; F150-F159 AromaticContact CD2-CG 3.57Å; F150-F159 HydrophobicContact CD2-CG 3.57Å; F150-F159 HydrophobicContact CE2-CB 3.63Å; F150-F159 AromaticContact CE2-CD1 3.65Å; F150-F159 HydrophobicContact CE2-CD1 3.65Å; F150-F159 AromaticContact CE2-CD2 3.59Å; F150-F159 HydrophobicContact CE2-CD2 3.59Å; F150-F159 HydrophobicContact CE2-CE1 4.18Å; F150-F159 HydrophobicContact CE2-CE2 4.12Å; F150-F159 AromaticContact CE2-CG 3.32Å; F150-F159 HydrophobicContact CE2-CG 3.32Å; F150-F159 HydrophobicContact CE2-CZ 4.39Å; F150-F159 HydrophobicContact CG-CB 4.24Å; F150-F159 HydrophobicContact CZ-CD2 4.28Å; F150-F159 HydrophobicContact CZ-CG 4.39Å; F150-H332 WeakPolarHBondContact CZ-O 3.41Å; F150-F334 HydrophobicContact CB-CE1 4.38Å; F150-F334 HydrophobicContact CB-CZ 4.05Å; F150-F334 HydrophobicContact CD1-CE2 4.2Å; F150-F334 AromaticContact CD1-CZ 3.77Å; F150-F334 HydrophobicContact CD1-CZ 3.77Å; F150-F334 HydrophobicContact CE1-CE2 4.43Å; F150-F334 HydrophobicContact CE1-CZ 4.37Å; F150-F334 HydrophobicContact CG-CE1 4.28Å; F150-F334 AromaticContact CG-CZ 3.85Å; F150-F334 HydrophobicContact CG-CZ 3.85Å
151	P	84.3	Confident	91.4	Very high	22 Å²	22	49.1 Å²	49.1	14%	0.143	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-68.4	167.8	-173	25.2	-35.6	0	0	0	114.3	Y149 Q153 W154	Y149-P151 HydrophobicContact CE1-CB 3.89Å; P151-Q153 VanDerWaalsContact C-OE1 3.31Å; P151-Q153 VanDerWaalsContact CG-NE2 3.3Å; P151-Q153 VanDerWaalsContact CG-OE1 3.29Å; P151-Q153 PolarHBondContact O-N 2.81Å; P151-Q153 PolarHBondContact O-OE1 3.17Å; P151-W154 VanDerWaalsContact O-CD1 3.26Å; P151-W154 PolarHBondContact O-N 3.48Å; P151-W154 VanDerWaalsContact O-N 3.09Å
152	P	78.4	Confident	91.3	Very high	71 Å²	71	48.8 Å²	48.8	46%	0.461	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-56.5	-24	-164.3	-29	36.9	0	0	0	115.9	W154 H155	P152-W154 PolarHBondContact O-N 2.88Å; P152-H155 PolarHBondContact O-CD2 3.31Å; P152-H155 PolarHBondContact O-CE1 3.03Å; P152-H155 VanDerWaalsContact O-CE1 3.24Å; P152-H155 PolarHBondContact O-N 2.81Å; P152-H155 PolarHBondContact O-ND1 2.77Å; P152-H155 VanDerWaalsContact O-ND1 3.17Å; P152-H155 PolarHBondContact O-NE2 3.35Å; P152-H155 VanDerWaalsContact O-NE2 3.12Å
153	Q	82.2	Confident	91.3	Very high	133 Å²	133	48.9 Å²	48.9	62%	0.621	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-56.5	-16.1	176.6	67.4	-93.2	33.3	0	0	114.2	P151	P151-Q153 VanDerWaalsContact C-OE1 3.31Å; P151-Q153 VanDerWaalsContact CG-NE2 3.3Å; P151-Q153 VanDerWaalsContact CG-OE1 3.29Å; P151-Q153 PolarHBondContact O-N 2.81Å; P151-Q153 PolarHBondContact O-OE1 3.17Å
154	W	81.1	Confident	91.3	Very high	105 Å²	105	49 Å²	49	40%	0.398	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-93.7	18.6	176.8	-55.9	111.3	0	0	0	114.2	F150 P151 P152 G156 R157 F334	F150-W154 HydrophobicContact CB-CG 4.45Å; F150-W154 AromaticContact CD1-CD1 3.85Å; F150-W154 HydrophobicContact CD1-CG 4.41Å; F150-W154 AromaticContact CD1-NE1 3.78Å; P151-W154 VanDerWaalsContact O-CD1 3.26Å; P151-W154 PolarHBondContact O-N 3.48Å; P151-W154 VanDerWaalsContact O-N 3.09Å; P152-W154 PolarHBondContact O-N 2.88Å; W154-G156 PolarHBondContact O-N 2.9Å; W154-R157 PolarHBondContact O-N 3.16Å; W154-R157 VanDerWaalsContact O-N 3.13Å; W154-F334 HydrophobicContact CB-CE2 4.48Å; W154-F334 HydrophobicContact CB-CZ 3.81Å; W154-F334 HydrophobicContact CD2-CE2 4.16Å; W154-F334 HydrophobicContact CD2-CZ 4.26Å; W154-F334 HydrophobicContact CE3-CE2 4.17Å; W154-F334 HydrophobicContact CG-CE2 4.36Å; W154-F334 AromaticContact CG-CZ 3.97Å; W154-F334 HydrophobicContact CG-CZ 3.97Å
155	H	73.5	Confident	91.3	Very high	160 Å²	160	48.9 Å²	48.9	74%	0.741	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-31.2	127.7	-180	-73	-56	0	0	0	114.8	P152 R157	P152-H155 PolarHBondContact O-CD2 3.31Å; P152-H155 PolarHBondContact O-CE1 3.03Å; P152-H155 VanDerWaalsContact O-CE1 3.24Å; P152-H155 PolarHBondContact O-N 2.81Å; P152-H155 PolarHBondContact O-ND1 2.77Å; P152-H155 VanDerWaalsContact O-ND1 3.17Å; P152-H155 PolarHBondContact O-NE2 3.35Å; P152-H155 VanDerWaalsContact O-NE2 3.12Å; H155-R157 VanDerWaalsContact C-N 3.32Å
156	G	76.4	Confident	91.3	Very high	90 Å²	90	48.9 Å²	48.9	93%	0.928	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	0.4	176.7	0	0	0	0	0	114.9	W154	W154-G156 PolarHBondContact O-N 2.9Å
157	R	85.1	Confident	91.3	Very high	129 Å²	129	48.9 Å²	48.9	49%	0.487	25%	0.247	S	C	.	.			trans	-114.1	132.5	169.6	-56.1	-162.2	-63.1	-176	1.8	110.4	W154 H155 F334	W154-R157 PolarHBondContact O-N 3.16Å; W154-R157 VanDerWaalsContact O-N 3.13Å; H155-R157 VanDerWaalsContact C-N 3.32Å; R157-F334 HydrophobicContact CB-CD1 3.55Å; R157-F334 HydrophobicContact CB-CD2 4.49Å; R157-F334 HydrophobicContact CB-CE1 3.51Å; R157-F334 HydrophobicContact CB-CE2 4.49Å; R157-F334 HydrophobicContact CB-CG 4.05Å; R157-F334 HydrophobicContact CB-CZ 4.02Å; R157-F334 VanDerWaalsContact CZ-CE2 3.41Å; R157-F334 VanDerWaalsContact NH2-CD2 3.31Å
158	E	88.4	Confident	91.3	Very high	129 Å²	129	48.9 Å²	48.9	60%	0.603	25%	0.247	S	C	*	.			trans	-108.1	124.1	178.1	-70	-172.2	175.9	0	0	108.5	T80	T80-E158 WeakPolarHBondContact OG1-CB 3.33Å
159	F	96.2	Very high	91.4	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.018	24%	0.241	C	C	.	.			trans	-88.6	116.6	171.1	178.8	-101.3	0	0	0	108.2	K148 F150 T333 F334 D336	K148-F159 HydrophobicContact CB-CD1 3.85Å; K148-F159 HydrophobicContact CB-CE1 3.62Å; F150-F159 HydrophobicContact CD2-CB 3.32Å; F150-F159 AromaticContact CD2-CD1 3.95Å; F150-F159 HydrophobicContact CD2-CD1 3.95Å; F150-F159 HydrophobicContact CD2-CD2 4.22Å; F150-F159 AromaticContact CD2-CG 3.57Å; F150-F159 HydrophobicContact CD2-CG 3.57Å; F150-F159 HydrophobicContact CE2-CB 3.63Å; F150-F159 AromaticContact CE2-CD1 3.65Å; F150-F159 HydrophobicContact CE2-CD1 3.65Å; F150-F159 AromaticContact CE2-CD2 3.59Å; F150-F159 HydrophobicContact CE2-CD2 3.59Å; F150-F159 HydrophobicContact CE2-CE1 4.18Å; F150-F159 HydrophobicContact CE2-CE2 4.12Å; F150-F159 AromaticContact CE2-CG 3.32Å; F150-F159 HydrophobicContact CE2-CG 3.32Å; F150-F159 HydrophobicContact CE2-CZ 4.39Å; F150-F159 HydrophobicContact CG-CB 4.24Å; F150-F159 HydrophobicContact CZ-CD2 4.28Å; F150-F159 HydrophobicContact CZ-CG 4.39Å; F159-T333 WeakPolarHBondContact CD2-O 3.41Å; F159-T333 WeakPolarHBondContact CE2-O 3.14Å; F159-F334 HydrophobicContact CB-CD1 4.16Å; F159-F334 HydrophobicContact CB-CE1 4Å; F159-D336 HydrophobicContact CE2-CB 3.98Å
160	Q	95.6	Very high	91.5	Very high	50 Å²	50	45 Å²	45	23%	0.234	23%	0.232	C	C	.	.			trans	-96.6	-20.3	-179.6	-65	173.9	-6.1	0	0	111.8	L78 R81	L78-Q160 PolarHBondContact O-NE2 3.02Å; R81-Q160 VanDerWaalsContact CZ-O 3.24Å; R81-Q160 PolarHBondContact NH1-O 3.23Å; R81-Q160 PolarHBondContact NH2-O 3.44Å; R81-Q160 VanDerWaalsContact NH2-O 3.09Å
161	G	98.3	Very high	91.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.			trans	53.6	63.9	-177.2	0	0	0	0	0	111.3	R81 D164 A166 D336	R81-G161 PolarHBondContact NH2-O 3.45Å; G161-D164 CarbonylContact C-O 3.58Å; G161-D164 WeakPolarHBondContact CA-O 3.22Å; G161-D164 CarbonylContact O-C 3.5Å; G161-D164 VanDerWaalsContact O-C 3.23Å; G161-D164 PolarHBondContact O-N 3.42Å; G161-D164 VanDerWaalsContact O-O 3.1Å; G161-A166 WeakPolarHBondContact O-CB 3.23Å; G161-A166 PolarHBondContact O-N 2.84Å; G161-D336 WeakPolarHBondContact CA-OD2 3.45Å
162	A	98.8	Very high	92.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-66.1	-48	-176.3	0	0	0	0	0	111.3	L78 D164 A166 V167 D336 L341	L78-A162 HydrophobicContact CD2-CB 3.63Å; A162-D164 VanDerWaalsContact C-N 3.25Å; A162-A166 PolarHBondContact O-N 2.96Å; A162-V167 WeakPolarHBondContact O-CB 3.37Å; A162-V167 VanDerWaalsContact O-CG2 3.31Å; A162-V167 WeakPolarHBondContact O-CG2 3.25Å; A162-V167 PolarHBondContact O-N 2.8Å; A162-D336 WeakPolarHBondContact CB-OD1 3.41Å; A162-D336 PolarHBondContact N-O 3.2Å; A162-D336 PolarHBondContact N-OD1 3.32Å; A162-D336 PolarHBondContact N-OD2 3.24Å; A162-L341 HydrophobicContact CB-CD1 4.18Å; A162-L341 HydrophobicContact CB-CD2 3.91Å; A162-L341 HydrophobicContact CB-CG 4.14Å
163	T	98.9	Very high	93.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.194	C	C	.	.	I	π-helix	trans	-75.5	-18.3	170.4	66	0	0	0	0	113.1	L251 I252 A254 D336 L341	T163-L251 CarbonylContact O-C 3.52Å; T163-L251 WeakPolarHBondContact O-CA 3.32Å; T163-L251 PolarHBondContact O-N 3.4Å; T163-I252 WeakPolarHBondContact CA-O 3.46Å; T163-I252 PolarHBondContact O-N 2.75Å; T163-A254 HydrophobicContact CG2-CB 4.41Å; T163-D336 WeakPolarHBondContact CG2-OD1 3.46Å; T163-D336 PolarHBondContact N-OD1 2.78Å; T163-D336 PolarHBondContact N-OD2 3.04Å; T163-D336 VanDerWaalsContact OG1-CG 3.3Å; T163-D336 PolarHBondContact OG1-OD1 3.43Å; T163-D336 VanDerWaalsContact OG1-OD1 3.13Å; T163-D336 PolarHBondContact OG1-OD2 2.87Å; T163-L341 HydrophobicContact CG2-CD2 3.64Å
164	D	98.8	Very high	94.3	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.011	17%	0.165	C	C	.	.	I	π-helix	trans	-129.3	73	-160.2	-173	0.9	0	0	0	112.5	R81 H144 G161 A162 L251 H332 D336	R81-D164 PolarHBondContact NH2-O 3.2Å; H144-D164 IonicContact CE1-OD1 3.55Å; H144-D164 PolarHBondContact CE1-OD1 3.03Å; H144-D164 IonicContact NE2-OD1 2.83Å; H144-D164 PolarHBondContact NE2-OD1 2.8Å; H144-D164 VanDerWaalsContact NE2-OD1 3.12Å; G161-D164 CarbonylContact C-O 3.58Å; G161-D164 WeakPolarHBondContact CA-O 3.22Å; G161-D164 CarbonylContact O-C 3.5Å; G161-D164 VanDerWaalsContact O-C 3.23Å; G161-D164 PolarHBondContact O-N 3.42Å; G161-D164 VanDerWaalsContact O-O 3.1Å; A162-D164 VanDerWaalsContact C-N 3.25Å; D164-L251 HydrophobicContact CB-CD2 3.53Å; D164-H332 IonicContact OD2-CD2 3.66Å; D164-H332 PolarHBondContact OD2-CD2 3.41Å; D164-H332 VanDerWaalsContact OD2-CD2 3.26Å; D164-H332 IonicContact OD2-NE2 3.06Å; D164-H332 PolarHBondContact OD2-NE2 3.1Å; D164-D336 WeakPolarHBondContact CB-OD2 3.28Å
165	S	98.9	Very high	95.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	I	π-helix	cis	-127.5	45.2	-6.1	-90.9	0	0	0	0	111.9	H144 V167 P168 C169 D250	H144-S165 VanDerWaalsContact CD2-CB 3.46Å; H144-S165 WeakPolarHBondContact CD2-CB 3.37Å; H144-S165 PolarHBondContact CD2-OG 3.15Å; H144-S165 WeakPolarHBondContact NE2-CB 3.34Å; H144-S165 PolarHBondContact NE2-OG 2.88Å; H144-S165 VanDerWaalsContact O-CB 3.24Å; H144-S165 WeakPolarHBondContact O-CB 3.49Å; S165-V167 PolarHBondContact O-N 3.12Å; S165-P168 WeakPolarHBondContact O-CD 3.47Å; S165-C169 PolarHBondContact O-N 3.06Å; S165-C169 PolarHBondContact O-SG 3.41Å; S165-C169 VanDerWaalsContact O-SG 3.35Å; S165-D250 PolarHBondContact OG-OD1 3.22Å
166	A	98.9	Very high	96.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.112	C	C	.	.	I	π-helix	trans	-61.8	-40.4	179	0	0	0	0	0	112.8	L74 L77 L78 G161 A162 C169 A170	L74-A166 HydrophobicContact CD1-CB 3.97Å; L77-A166 HydrophobicContact CB-CB 4.03Å; L77-A166 WeakPolarHBondContact CD1-O 3.42Å; L78-A166 HydrophobicContact CD2-CB 3.95Å; G161-A166 WeakPolarHBondContact O-CB 3.23Å; G161-A166 PolarHBondContact O-N 2.84Å; A162-A166 PolarHBondContact O-N 2.96Å; A166-C169 WeakPolarHBondContact O-CB 3.3Å; A166-C169 PolarHBondContact O-N 3.14Å; A166-A170 WeakPolarHBondContact O-CB 3.4Å; A166-A170 PolarHBondContact O-N 3.48Å
167	V	98.9	Very high	97.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.7	-52.5	174.5	164.7	0	0	0	0	111.5	L74 A162 S165 C169 A170 M171 I252 L341 I346	L74-V167 HydrophobicContact CD1-CG2 3.82Å; L74-V167 HydrophobicContact CD2-CG2 4.11Å; A162-V167 WeakPolarHBondContact O-CB 3.37Å; A162-V167 VanDerWaalsContact O-CG2 3.31Å; A162-V167 WeakPolarHBondContact O-CG2 3.25Å; A162-V167 PolarHBondContact O-N 2.8Å; S165-V167 PolarHBondContact O-N 3.12Å; V167-C169 VanDerWaalsContact C-N 3.28Å; V167-C169 PolarHBondContact O-N 3.05Å; V167-A170 PolarHBondContact O-N 2.9Å; V167-A170 VanDerWaalsContact O-N 3.08Å; V167-M171 HydrophobicContact CG1-CG 4.09Å; V167-M171 HydrophobicContact CG1-SD 3.66Å; V167-M171 WeakPolarHBondContact O-CG 3.36Å; V167-M171 PolarHBondContact O-N 2.92Å; V167-I252 WeakPolarHBondContact CB-O 3.48Å; V167-I252 HydrophobicContact CG1-CG2 4.29Å; V167-I252 WeakPolarHBondContact CG1-O 3.19Å; V167-L341 HydrophobicContact CG2-CD1 3.59Å; V167-L341 HydrophobicContact CG2-CD2 3.8Å; V167-L341 HydrophobicContact CG2-CG 4.34Å; V167-I346 HydrophobicContact CG1-CD1 3.97Å; V167-I346 HydrophobicContact CG1-CG1 3.93Å; V167-I346 HydrophobicContact CG1-CG2 4.21Å; V167-I346 HydrophobicContact CG2-CD1 3.93Å
168	P	98.9	Very high	98	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-48	-46.3	170.7	-33.3	36.2	0	0	0	114.4	C143 S165 A170 M171 M172 L249 I252	C143-P168 HydrophobicContact CB-CB 3.59Å; S165-P168 WeakPolarHBondContact O-CD 3.47Å; P168-A170 PolarHBondContact O-N 2.78Å; P168-M171 PolarHBondContact O-N 2.97Å; P168-M172 PolarHBondContact O-N 3.03Å; P168-L249 HydrophobicContact CB-CB 3.88Å; P168-L249 HydrophobicContact CG-CB 4.41Å; P168-I252 HydrophobicContact CG-CB 4.1Å; P168-I252 HydrophobicContact CG-CG1 4.41Å
169	C	98.9	Very high	98.4	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.007	2%	0.024	C	C	.	.	H	α-helix	trans	-57.4	-51.1	174.9	-74.9	0	0	0	0	111.8	L77 C143 H144 S165 A166 V167 M171 M172 L173 F199	L77-C169 HydrophobicContact CD1-CB 3.49Å; L77-C169 VanDerWaalsContact CD1-CB 3.49Å; C143-C169 PolarHBondContact SG-SG 3.31Å; H144-C169 PolarHBondContact O-SG 2.78Å; S165-C169 PolarHBondContact O-N 3.06Å; S165-C169 PolarHBondContact O-SG 3.41Å; S165-C169 VanDerWaalsContact O-SG 3.35Å; A166-C169 WeakPolarHBondContact O-CB 3.3Å; A166-C169 PolarHBondContact O-N 3.14Å; V167-C169 VanDerWaalsContact C-N 3.28Å; V167-C169 PolarHBondContact O-N 3.05Å; C169-M171 VanDerWaalsContact C-N 3.32Å; C169-M171 PolarHBondContact O-N 3.13Å; C169-M172 PolarHBondContact O-N 2.95Å; C169-L173 WeakPolarHBondContact O-CG 3.44Å; C169-L173 PolarHBondContact O-N 2.88Å; C169-L173 VanDerWaalsContact O-N 3.1Å; C169-F199 HydrophobicContact CB-CD1 4.44Å; C169-F199 HydrophobicContact CB-CE1 4.35Å
170	A	98.9	Very high	98.5	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-63.3	-36.5	179.9	0	0	0	0	0	112.7	M69 D73 L74 L77 A166 V167 P168 L173 E174	M69-A170 HydrophobicContact CG-CB 4.22Å; M69-A170 HydrophobicContact SD-CB 4.42Å; D73-A170 HydrophobicContact CB-CB 4.16Å; L74-A170 HydrophobicContact CB-CB 3.81Å; L74-A170 HydrophobicContact CD1-CB 4.14Å; L77-A170 HydrophobicContact CD1-CB 4.22Å; A166-A170 WeakPolarHBondContact O-CB 3.4Å; A166-A170 PolarHBondContact O-N 3.48Å; V167-A170 PolarHBondContact O-N 2.9Å; V167-A170 VanDerWaalsContact O-N 3.08Å; P168-A170 PolarHBondContact O-N 2.78Å; A170-L173 PolarHBondContact O-N 2.89Å; A170-E174 WeakPolarHBondContact O-CB 3.34Å; A170-E174 PolarHBondContact O-N 3.18Å
171	M	98.9	Very high	98.5	Very high	4 Å²	4	9.1 Å²	9.1	2%	0.02	4%	0.042	C	C	.	.	H	α-helix	trans	-64.7	-39.5	176.3	-67.9	174.7	66.5	0	0	111.7	V167 P168 C169 L175 I252 I346 L349 N350 F353	V167-M171 HydrophobicContact CG1-CG 4.09Å; V167-M171 HydrophobicContact CG1-SD 3.66Å; V167-M171 WeakPolarHBondContact O-CG 3.36Å; V167-M171 PolarHBondContact O-N 2.92Å; P168-M171 PolarHBondContact O-N 2.97Å; C169-M171 VanDerWaalsContact C-N 3.32Å; C169-M171 PolarHBondContact O-N 3.13Å; M171-L175 VanDerWaalsContact O-CB 3.3Å; M171-L175 WeakPolarHBondContact O-CB 3.47Å; M171-L175 PolarHBondContact O-N 2.86Å; M171-I252 HydrophobicContact CE-CG2 4.33Å; M171-I252 HydrophobicContact SD-CB 4.4Å; M171-I252 HydrophobicContact SD-CG2 3.71Å; M171-I346 HydrophobicContact CG-CG2 4.27Å; M171-I346 HydrophobicContact SD-CG2 4.44Å; M171-L349 HydrophobicContact CE-CB 3.59Å; M171-N350 WeakPolarHBondContact CB-OD1 3.22Å; M171-N350 VanDerWaalsContact CG-OD1 3.23Å; M171-N350 WeakPolarHBondContact CG-OD1 3.45Å; M171-F353 HydrophobicContact CE-CD2 3.52Å; M171-F353 HydrophobicContact CE-CE2 3.4Å; M171-F353 VanDerWaalsContact CE-CE2 3.4Å
172	M	98.9	Very high	98.4	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.01	5%	0.046	C	C	.	.	H	α-helix	trans	-66.7	-39.1	175	-73.2	169.6	54.7	0	0	112.1	L141 C143 P168 C169 L175 A176 L197 F199	L141-M172 HydrophobicContact CB-CE 4.27Å; L141-M172 HydrophobicContact CB-CG 4.44Å; L141-M172 HydrophobicContact CB-SD 4.42Å; L141-M172 WeakPolarHBondContact O-CE 3.35Å; C143-M172 HydrophobicContact CB-SD 4.08Å; C143-M172 PolarHBondContact SG-SD 3.46Å; P168-M172 PolarHBondContact O-N 3.03Å; C169-M172 PolarHBondContact O-N 2.95Å; M172-L175 PolarHBondContact O-N 3.11Å; M172-A176 PolarHBondContact O-N 2.83Å; M172-L197 HydrophobicContact CE-CB 3.74Å; M172-L197 HydrophobicContact CE-CD2 4.12Å; M172-L197 HydrophobicContact CE-CG 4.4Å; M172-F199 HydrophobicContact CB-CE1 4.2Å; M172-F199 HydrophobicContact CB-CZ 4.16Å; M172-F199 HydrophobicContact CE-CD1 4.28Å; M172-F199 HydrophobicContact CE-CE1 3.82Å; M172-F199 HydrophobicContact CE-CE2 4.08Å; M172-F199 HydrophobicContact CE-CZ 3.72Å; M172-F199 HydrophobicContact SD-CE1 4.36Å
173	L	98.9	Very high	98.3	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-66.3	-44.3	174.5	-65.9	177.5	0	0	0	112.2	D73 I95 T98 L99 C169 A170 A176 R177 F199	D73-L173 HydrophobicContact CB-CB 4.15Å; D73-L173 HydrophobicContact CB-CD1 4.15Å; I95-L173 HydrophobicContact CG1-CD1 4.35Å; I95-L173 HydrophobicContact CG2-CD2 4.33Å; T98-L173 HydrophobicContact CG2-CB 4.36Å; T98-L173 HydrophobicContact CG2-CD1 4.4Å; T98-L173 HydrophobicContact CG2-CD2 3.97Å; T98-L173 HydrophobicContact CG2-CG 4.48Å; L99-L173 HydrophobicContact CD1-CD2 4.23Å; L99-L173 HydrophobicContact CD2-CD2 3.97Å; L99-L173 HydrophobicContact CG-CD2 3.79Å; C169-L173 WeakPolarHBondContact O-CG 3.44Å; C169-L173 PolarHBondContact O-N 2.88Å; C169-L173 VanDerWaalsContact O-N 3.1Å; A170-L173 PolarHBondContact O-N 2.89Å; L173-A176 PolarHBondContact O-N 2.88Å; L173-R177 WeakPolarHBondContact O-CB 3.22Å; L173-R177 PolarHBondContact O-N 3.06Å; L173-F199 HydrophobicContact CD2-CZ 4.24Å
174	E	98.8	Very high	98.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.8	-43.9	174	163.7	64.5	158	0	0	111.4	T64 D65 M69 A170 A176 R177 A178	T64-E174 WeakPolarHBondContact CA-OE1 3.37Å; T64-E174 WeakPolarHBondContact CG2-OE1 3.46Å; D65-E174 PolarHBondContact N-OE1 2.79Å; M69-E174 HydrophobicContact CB-CB 4.04Å; M69-E174 HydrophobicContact CB-CG 4.28Å; M69-E174 HydrophobicContact CG-CB 3.64Å; M69-E174 HydrophobicContact CG-CG 4.29Å; M69-E174 HydrophobicContact SD-CB 3.55Å; M69-E174 VanDerWaalsContact SD-CB 3.55Å; M69-E174 HydrophobicContact SD-CG 3.9Å; A170-E174 WeakPolarHBondContact O-CB 3.34Å; A170-E174 PolarHBondContact O-N 3.18Å; E174-A176 VanDerWaalsContact C-N 3.35Å; E174-A176 PolarHBondContact O-N 3.49Å; E174-R177 PolarHBondContact O-N 2.73Å; E174-R177 IonicContact OE2-CZ 3.12Å; E174-R177 IonicContact OE2-NE 3.07Å; E174-R177 IonicContact OE2-NH1 3.92Å; E174-R177 PolarHBondContact OE2-NH1 3.18Å; E174-R177 IonicContact OE2-NH2 3.21Å; E174-R177 PolarHBondContact OE2-NH2 3.28Å; E174-A178 WeakPolarHBondContact O-CB 3.42Å; E174-A178 PolarHBondContact O-N 3.43Å
175	L	98.8	Very high	97.9	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.026	9%	0.087	C	C	.	.	H	α-helix	trans	-59.8	-46.6	177.4	-175.2	148.3	0	0	0	111.3	L141 M171 M172 R177 L179 L195 F353 Q354 V357	L141-L175 HydrophobicContact CD1-CD1 4.07Å; L141-L175 HydrophobicContact CD1-CD2 4.29Å; M171-L175 VanDerWaalsContact O-CB 3.3Å; M171-L175 WeakPolarHBondContact O-CB 3.47Å; M171-L175 PolarHBondContact O-N 2.86Å; M172-L175 PolarHBondContact O-N 3.11Å; L175-R177 VanDerWaalsContact C-N 3.3Å; L175-R177 PolarHBondContact O-N 2.7Å; L175-L179 HydrophobicContact CD2-CD1 4.01Å; L175-L179 HydrophobicContact CG-CD1 4.02Å; L175-L179 WeakPolarHBondContact O-CB 3.14Å; L175-L179 WeakPolarHBondContact O-CG 3.32Å; L175-L179 PolarHBondContact O-N 2.69Å; L175-L179 VanDerWaalsContact O-N 3.12Å; L175-L195 HydrophobicContact CD2-CD2 4.14Å; L175-F353 HydrophobicContact CD1-CB 4.01Å; L175-Q354 HydrophobicContact CD1-CG 4.34Å; L175-Q354 HydrophobicContact CG-CG 4.14Å; L175-V357 HydrophobicContact CD1-CB 4.31Å; L175-V357 HydrophobicContact CD1-CG2 3.71Å; L175-V357 HydrophobicContact CD2-CB 4.49Å; L175-V357 HydrophobicContact CD2-CG1 4.28Å; L175-V357 HydrophobicContact CD2-CG2 4.24Å
176	A	98.5	Very high	97.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.7	-39.4	178	0	0	0	0	0	112	L99 L102 W106 M172 L173 E174 D180 L197	L99-A176 HydrophobicContact CD2-CB 3.77Å; L102-A176 HydrophobicContact CD1-CB 3.72Å; W106-A176 HydrophobicContact CZ2-CB 4.16Å; M172-A176 PolarHBondContact O-N 2.83Å; L173-A176 PolarHBondContact O-N 2.88Å; E174-A176 VanDerWaalsContact C-N 3.35Å; E174-A176 PolarHBondContact O-N 3.49Å; A176-D180 PolarHBondContact O-N 2.72Å; A176-L197 HydrophobicContact CB-CD1 4.23Å
177	R	98.2	Very high	97.4	Very high	44 Å²	44	21 Å²	21	17%	0.166	10%	0.101	C	C	.	.	H	α-helix	trans	-74.3	-45.3	179.2	179.6	171.7	47.7	60.2	-0.8	112.9	D73 L102 L173 E174 L175 L179 D180	D73-R177 IonicContact OD2-CZ 2.56Å; D73-R177 IonicContact OD2-NE 3.59Å; D73-R177 IonicContact OD2-NH2 3.95Å; D73-R177 PolarHBondContact OD2-NH2 3.38Å; L102-R177 HydrophobicContact CD2-CB 4.07Å; L102-R177 HydrophobicContact CD2-CG 4.19Å; L173-R177 WeakPolarHBondContact O-CB 3.22Å; L173-R177 PolarHBondContact O-N 3.06Å; E174-R177 PolarHBondContact O-N 2.73Å; E174-R177 IonicContact OE2-CZ 3.12Å; E174-R177 IonicContact OE2-NE 3.07Å; E174-R177 IonicContact OE2-NH1 3.92Å; E174-R177 PolarHBondContact OE2-NH1 3.18Å; E174-R177 IonicContact OE2-NH2 3.21Å; E174-R177 PolarHBondContact OE2-NH2 3.28Å; L175-R177 VanDerWaalsContact C-N 3.3Å; L175-R177 PolarHBondContact O-N 2.7Å; R177-L179 PolarHBondContact O-N 3.13Å; R177-D180 WeakPolarHBondContact O-CB 3.4Å; R177-D180 PolarHBondContact O-N 2.69Å
178	A	97.8	Very high	97	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.017	13%	0.131	C	C	.	.	H	α-helix	trans	-66.9	-29.5	-177.9	0	0	0	0	0	112	H63 E174	H63-A178 HydrophobicContact CB-CB 4.46Å; H63-A178 WeakPolarHBondContact CB-O 3.22Å; E174-A178 WeakPolarHBondContact O-CB 3.42Å; E174-A178 PolarHBondContact O-N 3.43Å
179	L	97.9	Very high	96.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	17.2	179.6	-56.4	-177	0	0	0	113.2	L175 R177 E181 E182 L183 Q354 V357 L358	L175-L179 HydrophobicContact CD2-CD1 4.01Å; L175-L179 HydrophobicContact CG-CD1 4.02Å; L175-L179 WeakPolarHBondContact O-CB 3.14Å; L175-L179 WeakPolarHBondContact O-CG 3.32Å; L175-L179 PolarHBondContact O-N 2.69Å; L175-L179 VanDerWaalsContact O-N 3.12Å; R177-L179 PolarHBondContact O-N 3.13Å; L179-E181 VanDerWaalsContact C-N 3.33Å; L179-E181 PolarHBondContact O-N 3.34Å; L179-E182 PolarHBondContact O-N 2.87Å; L179-L183 HydrophobicContact CB-CD1 4.03Å; L179-L183 HydrophobicContact CB-CG 3.99Å; L179-L183 WeakPolarHBondContact O-CB 3.5Å; L179-L183 WeakPolarHBondContact O-CG 3.36Å; L179-L183 PolarHBondContact O-N 2.89Å; L179-Q354 HydrophobicContact CD1-CB 4.2Å; L179-Q354 HydrophobicContact CD1-CG 4.22Å; L179-Q354 HydrophobicContact CD2-CB 4.28Å; L179-Q354 HydrophobicContact CD2-CG 4.37Å; L179-Q354 HydrophobicContact CG-CB 4.45Å; L179-Q354 HydrophobicContact CG-CG 4.21Å; L179-V357 HydrophobicContact CD1-CG1 4.39Å; L179-L358 HydrophobicContact CD1-CD2 4.14Å; L179-L358 HydrophobicContact CD1-CG 3.97Å; L179-L358 HydrophobicContact CD2-CD1 3.8Å; L179-L358 HydrophobicContact CD2-CD2 4.22Å; L179-L358 HydrophobicContact CD2-CG 4.08Å
180	D	97.6	Very high	95.3	Very high	25 Å²	25	35.1 Å²	35.1	13%	0.134	19%	0.19	C	C	.	.	H	α-helix	trans	-56.5	-44.3	-169.9	-169.9	40.5	0	0	0	112.6	L102 G103 A104 A176 R177 L183 K184	L102-D180 WeakPolarHBondContact CB-OD1 3.3Å; G103-D180 WeakPolarHBondContact CA-OD2 3.35Å; G103-D180 PolarHBondContact N-OD1 2.86Å; G103-D180 VanDerWaalsContact N-OD1 3.16Å; G103-D180 PolarHBondContact N-OD2 3.12Å; A104-D180 WeakPolarHBondContact CB-OD1 3.48Å; A104-D180 PolarHBondContact N-OD1 3.23Å; A176-D180 PolarHBondContact O-N 2.72Å; R177-D180 WeakPolarHBondContact O-CB 3.4Å; R177-D180 PolarHBondContact O-N 2.69Å; D180-L183 PolarHBondContact O-N 3.25Å; D180-K184 VanDerWaalsContact O-CB 3.22Å; D180-K184 WeakPolarHBondContact O-CB 3.42Å; D180-K184 PolarHBondContact O-N 2.9Å
181	E	95.7	Very high	94.6	Very high	105 Å²	105	36.9 Å²	36.9	49%	0.491	20%	0.202	S	C	.	.	H	α-helix	trans	-71.7	-39.1	179.1	-67.9	-59.6	146.2	0	0	112.7	L179 K184 T185	L179-E181 VanDerWaalsContact C-N 3.33Å; L179-E181 PolarHBondContact O-N 3.34Å; E181-K184 PolarHBondContact O-N 2.84Å; E181-T185 WeakPolarHBondContact O-CB 3.29Å; E181-T185 PolarHBondContact O-N 3.16Å; E181-T185 PolarHBondContact O-OG1 2.81Å
182	E	96.1	Very high	94.3	Very high	15 Å²	15	41.2 Å²	41.2	7%	0.07	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-42.3	173.6	-72.8	72.8	-160.2	0	0	111.6	L179 T185 Q186 L358 S363 P365	L179-E182 PolarHBondContact O-N 2.87Å; E182-T185 PolarHBondContact O-N 3.42Å; E182-Q186 VanDerWaalsContact O-CB 3.28Å; E182-Q186 WeakPolarHBondContact O-CB 3.25Å; E182-Q186 PolarHBondContact O-N 3.38Å; E182-L358 HydrophobicContact CB-CD2 3.74Å; E182-L358 HydrophobicContact CG-CD2 3.95Å; E182-S363 PolarHBondContact O-OG 3.06Å; E182-P365 HydrophobicContact CG-CB 4.22Å; E182-P365 HydrophobicContact CG-CG 4.24Å
183	L	96.9	Very high	94.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-70.5	-38.3	179.2	-68.8	175.4	0	0	0	111.4	A104 W106 L131 L179 D180 T185 Q186 K187 L195 L361	A104-L183 HydrophobicContact CB-CB 4.07Å; W106-L183 HydrophobicContact CZ2-CD1 3.9Å; L131-L183 HydrophobicContact CD2-CB 3.91Å; L131-L183 HydrophobicContact CD2-CD2 4.02Å; L131-L183 HydrophobicContact CD2-CG 4.48Å; L179-L183 HydrophobicContact CB-CD1 4.03Å; L179-L183 HydrophobicContact CB-CG 3.99Å; L179-L183 WeakPolarHBondContact O-CB 3.5Å; L179-L183 WeakPolarHBondContact O-CG 3.36Å; L179-L183 PolarHBondContact O-N 2.89Å; D180-L183 PolarHBondContact O-N 3.25Å; L183-T185 VanDerWaalsContact C-N 3.32Å; L183-T185 PolarHBondContact O-N 2.88Å; L183-Q186 WeakPolarHBondContact O-CB 3.28Å; L183-Q186 PolarHBondContact O-N 3.1Å; L183-K187 WeakPolarHBondContact O-CB 3.48Å; L183-K187 PolarHBondContact O-N 3.34Å; L183-L195 HydrophobicContact CD1-CD2 4.2Å; L183-L195 HydrophobicContact CD2-CD2 3.9Å; L183-L361 HydrophobicContact CD2-CD1 3.82Å
184	K	95.8	Very high	94.2	Very high	83 Å²	83	41.6 Å²	41.6	36%	0.361	23%	0.228	S	C	.	.	H	α-helix	trans	-61	-41.4	172	-173.8	-179.1	-177.2	-179.2	0	112.3	A104 D180 E181 S188	A104-K184 HydrophobicContact CB-CB 4.25Å; D180-K184 VanDerWaalsContact O-CB 3.22Å; D180-K184 WeakPolarHBondContact O-CB 3.42Å; D180-K184 PolarHBondContact O-N 2.9Å; E181-K184 PolarHBondContact O-N 2.84Å; K184-S188 WeakPolarHBondContact O-CB 3.5Å; K184-S188 PolarHBondContact O-N 3.45Å; K184-S188 VanDerWaalsContact O-N 3.14Å; K184-S188 PolarHBondContact O-OG 3.41Å
185	T	93.9	Very high	94.2	Very high	85 Å²	85	41.6 Å²	41.6	52%	0.521	23%	0.228	S	C	.	.	H	α-helix	trans	-66.8	-43.8	174.7	-58.5	0	0	0	0	110.8	E181 E182 L183 K187 S188 S189	E181-T185 WeakPolarHBondContact O-CB 3.29Å; E181-T185 PolarHBondContact O-N 3.16Å; E181-T185 PolarHBondContact O-OG1 2.81Å; E182-T185 PolarHBondContact O-N 3.42Å; L183-T185 VanDerWaalsContact C-N 3.32Å; L183-T185 PolarHBondContact O-N 2.88Å; T185-K187 PolarHBondContact O-N 2.99Å; T185-S188 PolarHBondContact O-N 3.35Å; T185-S189 PolarHBondContact O-N 2.87Å
186	Q	93.6	Very high	94.2	Very high	8 Å²	8	42 Å²	42	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-48.3	177.1	-166	-75.4	-29.1	0	0	111.5	E182 L183 S188 S189 L193 T194 L361	E182-Q186 VanDerWaalsContact O-CB 3.28Å; E182-Q186 WeakPolarHBondContact O-CB 3.25Å; E182-Q186 PolarHBondContact O-N 3.38Å; L183-Q186 WeakPolarHBondContact O-CB 3.28Å; L183-Q186 PolarHBondContact O-N 3.1Å; Q186-S188 VanDerWaalsContact C-N 3.32Å; Q186-S188 PolarHBondContact O-N 3.06Å; Q186-S189 WeakPolarHBondContact O-CB 3.31Å; Q186-S189 PolarHBondContact O-N 2.9Å; Q186-S189 PolarHBondContact O-OG 3.27Å; Q186-L193 PolarHBondContact NE2-O 3.24Å; Q186-T194 PolarHBondContact OE1-OG1 3.34Å; Q186-L361 HydrophobicContact CG-CB 4.34Å
187	K	92.5	Very high	94.2	Very high	62 Å²	62	42 Å²	42	27%	0.27	23%	0.229	S	C	.	.	H	α-helix	trans	-57.5	-45.3	175.4	-179.9	174.4	-179.3	158	0	111.9	A104 G105 L131 N132 L183 T185 S189 N190	A104-K187 WeakPolarHBondContact O-CD 3.2Å; G105-K187 PolarHBondContact O-NZ 3.49Å; L131-K187 HydrophobicContact CD1-CB 4.3Å; L131-K187 HydrophobicContact CD1-CD 3.98Å; L131-K187 HydrophobicContact CD2-CB 4.38Å; L131-K187 HydrophobicContact CG-CB 4.11Å; L131-K187 HydrophobicContact CG-CD 4.26Å; L131-K187 WeakPolarHBondContact O-CD 3.49Å; L131-K187 WeakPolarHBondContact O-CE 3.31Å; L131-K187 PolarHBondContact O-NZ 2.67Å; N132-K187 HydrophobicContact CB-CG 4.39Å; L183-K187 WeakPolarHBondContact O-CB 3.48Å; L183-K187 PolarHBondContact O-N 3.34Å; T185-K187 PolarHBondContact O-N 2.99Å; K187-S189 PolarHBondContact O-N 3.34Å; K187-N190 PolarHBondContact O-N 2.78Å
188	S	90.4	Very high	94.3	Very high	90 Å²	90	40 Å²	40	63%	0.629	22%	0.222	S	C	*	.	H	α-helix	trans	-69.3	-19.5	-177.8	-55.5	0	0	0	0	113.3	K184 T185 Q186 N190	K184-S188 WeakPolarHBondContact O-CB 3.5Å; K184-S188 PolarHBondContact O-N 3.45Å; K184-S188 VanDerWaalsContact O-N 3.14Å; K184-S188 PolarHBondContact O-OG 3.41Å; T185-S188 PolarHBondContact O-N 3.35Å; Q186-S188 VanDerWaalsContact C-N 3.32Å; Q186-S188 PolarHBondContact O-N 3.06Å; S188-N190 PolarHBondContact O-N 3.16Å
189	S	87.8	Confident	94.3	Very high	77 Å²	77	39.9 Å²	39.9	54%	0.538	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-5.6	176.7	76.6	0	0	0	0	114	T185 Q186 K187 S191	T185-S189 PolarHBondContact O-N 2.87Å; Q186-S189 WeakPolarHBondContact O-CB 3.31Å; Q186-S189 PolarHBondContact O-N 2.9Å; Q186-S189 PolarHBondContact O-OG 3.27Å; K187-S189 PolarHBondContact O-N 3.34Å; S189-S191 PolarHBondContact O-N 3.33Å
190	N	76.1	Confident	94.4	Very high	130 Å²	130	39.9 Å²	39.9	70%	0.695	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	38	-174.5	-65.1	-41.8	0	0	0	113.1	K187 S188	K187-N190 PolarHBondContact O-N 2.78Å; S188-N190 PolarHBondContact O-N 3.16Å
191	S	83.2	Confident	94.5	Very high	37 Å²	37	38.7 Å²	38.7	26%	0.259	21%	0.214	S	C	.	.			trans	-63.7	135.6	173.3	169.5	0	0	0	0	110.9	S189 L193	S189-S191 PolarHBondContact O-N 3.33Å; S191-L193 WeakPolarHBondContact CB-O 3.41Å; S191-L193 PolarHBondContact O-N 2.95Å; S191-L193 PolarHBondContact OG-N 2.85Å; S191-L193 VanDerWaalsContact OG-N 3.12Å; S191-L193 PolarHBondContact OG-O 3.14Å
192	N	93.7	Very high	94.6	Very high	96 Å²	96	33.7 Å²	33.7	51%	0.513	19%	0.191	S	C	.	.	S	Bend	trans	-65.3	-16.5	172.6	-70.6	-13.9	0	0	0	112.9	T136 R137	T136-N192 PolarHBondContact N-O 3.33Å; T136-N192 VanDerWaalsContact N-O 3.16Å; T136-N192 PolarHBondContact OG1-O 2.72Å; R137-N192 WeakPolarHBondContact CB-O 3.47Å; R137-N192 PolarHBondContact N-O 3.26Å
193	L	97.4	Very high	94.7	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.052	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.5	172.2	174.8	64	0	0	0	109.6	R137 Q186 S191 D244 Y360 L361	R137-L193 HydrophobicContact CB-CB 4.43Å; R137-L193 HydrophobicContact CB-CD1 3.96Å; R137-L193 CarbonylContact O-C 3.52Å; R137-L193 VanDerWaalsContact O-CA 3.25Å; R137-L193 WeakPolarHBondContact O-CA 3.44Å; Q186-L193 PolarHBondContact NE2-O 3.24Å; S191-L193 WeakPolarHBondContact CB-O 3.41Å; S191-L193 PolarHBondContact O-N 2.95Å; S191-L193 PolarHBondContact OG-N 2.85Å; S191-L193 VanDerWaalsContact OG-N 3.12Å; S191-L193 PolarHBondContact OG-O 3.14Å; L193-D244 HydrophobicContact CD1-CB 4.22Å; L193-Y360 HydrophobicContact CD1-CE1 4.2Å; L193-Y360 HydrophobicContact CD2-CD1 3.95Å; L193-Y360 HydrophobicContact CD2-CE1 3.82Å; L193-L361 HydrophobicContact CD2-CD2 4.4Å; L193-L361 HydrophobicContact CG-CD2 4.1Å
194	T	98	Very high	94.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	-171.8	173.1	-161.9	0	0	0	0	111.7	N132 A135 R137 H138 L139 Q186	N132-T194 HydrophobicContact CB-CG2 4.02Å; N132-T194 WeakPolarHBondContact O-CG2 3.42Å; A135-T194 HydrophobicContact CB-CG2 3.63Å; R137-T194 PolarHBondContact O-N 3.14Å; H138-T194 WeakPolarHBondContact CA-O 3.41Å; H138-T194 WeakPolarHBondContact CD2-CG2 3.43Å; H138-T194 WeakPolarHBondContact NE2-CG2 3.41Å; L139-T194 PolarHBondContact N-O 3.32Å; Q186-T194 PolarHBondContact OE1-OG1 3.34Å
195	L	98.8	Very high	94.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.5	177.3	-167.9	61.7	0	0	0	111.2	W106 L131 L139 L141 L175 L183 L197 V357 L361	W106-L195 HydrophobicContact CH2-CB 4.01Å; W106-L195 HydrophobicContact CH2-CD2 3.72Å; W106-L195 HydrophobicContact CH2-CG 3.8Å; W106-L195 HydrophobicContact CZ2-CD2 4.12Å; L131-L195 WeakPolarHBondContact CB-O 3.19Å; L131-L195 HydrophobicContact CD2-CB 4.49Å; L131-L195 PolarHBondContact N-O 3.16Å; L139-L195 HydrophobicContact CB-CD1 4.21Å; L139-L195 HydrophobicContact CD2-CD1 4.02Å; L139-L195 HydrophobicContact CG-CD1 4.08Å; L141-L195 HydrophobicContact CD1-CD1 4.46Å; L141-L195 HydrophobicContact CG-CD1 4.14Å; L175-L195 HydrophobicContact CD2-CD2 4.14Å; L183-L195 HydrophobicContact CD1-CD2 4.2Å; L183-L195 HydrophobicContact CD2-CD2 3.9Å; L195-L197 HydrophobicContact CD2-CD2 4.37Å; L195-L197 HydrophobicContact CG-CD2 4.27Å; L195-V357 HydrophobicContact CD1-CG1 4.17Å; L195-V357 HydrophobicContact CD2-CG1 3.99Å; L195-L361 HydrophobicContact CB-CD1 4.04Å; L195-L361 HydrophobicContact CD2-CD1 4.49Å
196	Q	98.9	Very high	95.1	Very high	14 Å²	14	26 Å²	26	7%	0.065	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141	169.1	-179.5	176.3	81.1	0	0	109.2	V128 A129 T130 H138 L139 V140 L141 I198	V128-Q196 HydrophobicContact CG1-CG 4.05Å; A129-Q196 CarbonylContact O-C 3.47Å; A129-Q196 WeakPolarHBondContact O-CA 3.32Å; T130-Q196 PolarHBondContact OG1-NE2 3.41Å; H138-Q196 HydrophobicContact CB-CB 4.03Å; L139-Q196 PolarHBondContact O-N 3.14Å; V140-Q196 WeakPolarHBondContact CA-O 3.49Å; V140-Q196 HydrophobicContact CG2-CB 4.28Å; L141-Q196 PolarHBondContact N-O 3.14Å; Q196-I198 HydrophobicContact CG-CG1 4.28Å
197	L	98.9	Very high	95.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.5	174.2	-50.6	178.7	0	0	0	108.4	L99 W106 A129 L141 M172 A176 L195 F199	L99-L197 HydrophobicContact CD1-CD1 4.45Å; L99-L197 HydrophobicContact CD2-CD1 3.95Å; W106-L197 HydrophobicContact CH2-CD1 3.84Å; W106-L197 HydrophobicContact CH2-CD2 4.31Å; W106-L197 HydrophobicContact CH2-CG 3.69Å; W106-L197 HydrophobicContact CZ2-CD1 4.12Å; W106-L197 HydrophobicContact CZ2-CG 4.44Å; W106-L197 HydrophobicContact CZ3-CD1 4.22Å; W106-L197 HydrophobicContact CZ3-CG 3.9Å; A129-L197 HydrophobicContact CB-CB 4.28Å; A129-L197 PolarHBondContact N-O 2.61Å; A129-L197 PolarHBondContact O-N 3.48Å; L141-L197 HydrophobicContact CB-CD2 3.82Å; L141-L197 HydrophobicContact CD1-CD2 4Å; L141-L197 HydrophobicContact CG-CD2 4.11Å; L141-L197 CarbonylContact O-C 3.49Å; L141-L197 VanDerWaalsContact O-CA 3.3Å; L141-L197 WeakPolarHBondContact O-CA 3.24Å; M172-L197 HydrophobicContact CE-CB 3.74Å; M172-L197 HydrophobicContact CE-CD2 4.12Å; M172-L197 HydrophobicContact CE-CG 4.4Å; A176-L197 HydrophobicContact CB-CD1 4.23Å; L195-L197 HydrophobicContact CD2-CD2 4.37Å; L195-L197 HydrophobicContact CG-CD2 4.27Å; L197-F199 HydrophobicContact CB-CE2 3.92Å; L197-F199 HydrophobicContact CB-CZ 4.43Å
198	I	99	Very high	95.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.6	175.2	-56.6	178.3	0	0	0	109.2	L127 V128 V140 L141 A142 C143 Q196 F200 L221	L127-I198 WeakPolarHBondContact O-CA 3.5Å; V128-I198 HydrophobicContact CG1-CG1 4.43Å; V128-I198 HydrophobicContact CG2-CG1 4.47Å; V140-I198 HydrophobicContact CG1-CD1 3.59Å; V140-I198 HydrophobicContact CG1-CG1 3.84Å; L141-I198 PolarHBondContact O-N 2.61Å; A142-I198 WeakPolarHBondContact CA-O 3.22Å; A142-I198 HydrophobicContact CB-CB 4.02Å; C143-I198 PolarHBondContact N-O 3.36Å; C143-I198 VanDerWaalsContact N-O 3.17Å; Q196-I198 HydrophobicContact CG-CG1 4.28Å; I198-F200 HydrophobicContact CB-CE2 4.49Å; I198-F200 HydrophobicContact CB-CZ 4.3Å; I198-F200 HydrophobicContact CD1-CZ 4.44Å; I198-F200 HydrophobicContact CG2-CD1 3.72Å; I198-F200 HydrophobicContact CG2-CD2 4.2Å; I198-F200 HydrophobicContact CG2-CE1 3.46Å; I198-F200 VanDerWaalsContact CG2-CE1 3.46Å; I198-F200 HydrophobicContact CG2-CE2 3.96Å; I198-F200 HydrophobicContact CG2-CG 4.09Å; I198-F200 HydrophobicContact CG2-CZ 3.57Å; I198-L221 HydrophobicContact CD1-CD2 4.04Å; I198-L221 HydrophobicContact CG2-CD2 3.69Å
199	F	98.9	Very high	95.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	103.1	171.6	-53.9	-97.7	0	0	0	107.4	I95 L99 N126 L127 C143 Y145 C169 M172 L173 L197	I95-F199 HydrophobicContact CD1-CB 4.43Å; I95-F199 HydrophobicContact CD1-CD1 3.87Å; I95-F199 HydrophobicContact CD1-CE1 4.3Å; I95-F199 HydrophobicContact CD1-CG 4.13Å; I95-F199 HydrophobicContact CG2-CD1 4.45Å; I95-F199 HydrophobicContact CG2-CD2 3.83Å; I95-F199 HydrophobicContact CG2-CE1 4.31Å; I95-F199 HydrophobicContact CG2-CE2 3.69Å; I95-F199 HydrophobicContact CG2-CG 4.22Å; I95-F199 HydrophobicContact CG2-CZ 3.93Å; L99-F199 HydrophobicContact CD1-CE2 3.86Å; L99-F199 HydrophobicContact CD1-CZ 4.32Å; N126-F199 WeakPolarHBondContact CA-O 3.49Å; L127-F199 HydrophobicContact CB-CB 4.17Å; L127-F199 HydrophobicContact CB-CD2 4.19Å; L127-F199 PolarHBondContact N-O 3.2Å; L127-F199 PolarHBondContact O-N 3.21Å; C143-F199 CarbonylContact O-C 3.58Å; C143-F199 VanDerWaalsContact O-CA 3.32Å; C143-F199 WeakPolarHBondContact O-CA 3.32Å; Y145-F199 HydrophobicContact CD1-CB 4.1Å; C169-F199 HydrophobicContact CB-CD1 4.44Å; C169-F199 HydrophobicContact CB-CE1 4.35Å; M172-F199 HydrophobicContact CB-CE1 4.2Å; M172-F199 HydrophobicContact CB-CZ 4.16Å; M172-F199 HydrophobicContact CE-CD1 4.28Å; M172-F199 HydrophobicContact CE-CE1 3.82Å; M172-F199 HydrophobicContact CE-CE2 4.08Å; M172-F199 HydrophobicContact CE-CZ 3.72Å; M172-F199 HydrophobicContact SD-CE1 4.36Å; L173-F199 HydrophobicContact CD2-CZ 4.24Å; L197-F199 HydrophobicContact CB-CE2 3.92Å; L197-F199 HydrophobicContact CB-CZ 4.43Å
200	F	99	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	145.1	-178.2	-64.5	-68.6	0	0	0	111.5	N126 A142 C143 H144 Y145 I198 L221 D308 F312	N126-F200 WeakPolarHBondContact OD1-CA 3.47Å; A142-F200 HydrophobicContact CB-CD2 4.25Å; A142-F200 HydrophobicContact CB-CE2 3.61Å; A142-F200 HydrophobicContact CB-CZ 4.41Å; C143-F200 PolarHBondContact O-N 2.89Å; H144-F200 CarbonylContact C-O 3.53Å; H144-F200 WeakPolarHBondContact CA-O 3.38Å; H144-F200 HydrophobicContact CB-CB 4.2Å; Y145-F200 WeakPolarHBondContact CD1-O 3.31Å; Y145-F200 PolarHBondContact N-O 3.23Å; I198-F200 HydrophobicContact CB-CE2 4.49Å; I198-F200 HydrophobicContact CB-CZ 4.3Å; I198-F200 HydrophobicContact CD1-CZ 4.44Å; I198-F200 HydrophobicContact CG2-CD1 3.72Å; I198-F200 HydrophobicContact CG2-CD2 4.2Å; I198-F200 HydrophobicContact CG2-CE1 3.46Å; I198-F200 VanDerWaalsContact CG2-CE1 3.46Å; I198-F200 HydrophobicContact CG2-CE2 3.96Å; I198-F200 HydrophobicContact CG2-CG 4.09Å; I198-F200 HydrophobicContact CG2-CZ 3.57Å; F200-L221 HydrophobicContact CD1-CD2 4.34Å; F200-L221 HydrophobicContact CE1-CB 4.32Å; F200-L221 HydrophobicContact CE1-CD2 3.74Å; F200-D308 WeakPolarHBondContact CB-OD2 3.41Å; F200-D308 HydrophobicContact CD2-CB 3.66Å; F200-D308 WeakPolarHBondContact CD2-OD2 3.48Å; F200-D308 HydrophobicContact CE2-CB 3.83Å; F200-D308 HydrophobicContact CG-CB 4.32Å; F200-D308 WeakPolarHBondContact CG-OD2 3.47Å; F200-F312 AromaticContact CE1-CE2 3.69Å; F200-F312 HydrophobicContact CE1-CE2 3.69Å; F200-F312 AromaticContact CE1-CZ 3.8Å; F200-F312 HydrophobicContact CE1-CZ 3.8Å; F200-F312 HydrophobicContact CE2-CE2 4.46Å; F200-F312 HydrophobicContact CZ-CD2 4.41Å; F200-F312 AromaticContact CZ-CE2 3.4Å; F200-F312 HydrophobicContact CZ-CE2 3.4Å; F200-F312 VanDerWaalsContact CZ-CE2 3.4Å; F200-F312 AromaticContact CZ-CZ 3.7Å; F200-F312 HydrophobicContact CZ-CZ 3.7Å
201	D	98.9	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-103.4	143.2	169.7	-159.2	-5	0	0	0	110.6	F124 T125 N126 Y145 G217	F124-D201 WeakPolarHBondContact CA-OD2 3.17Å; F124-D201 HydrophobicContact CB-CB 4.34Å; T125-D201 PolarHBondContact N-OD2 2.82Å; N126-D201 PolarHBondContact OD1-N 2.77Å; Y145-D201 HydrophobicContact CE1-CB 3.54Å; Y145-D201 PolarHBondContact OH-OD1 3.04Å; Y145-D201 PolarHBondContact OH-OD2 2.87Å; D201-G217 WeakPolarHBondContact O-CA 2.99Å; D201-G217 PolarHBondContact O-N 3.41Å
202	G	98.8	Very high	97.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.			trans	59.6	46.4	176.6	0	0	0	0	0	113.4	D146 L215 Y216	D146-G202 PolarHBondContact OD1-N 3.14Å; D146-G202 WeakPolarHBondContact OD2-CA 3.35Å; G202-L215 PolarHBondContact O-N 2.96Å; G202-Y216 WeakPolarHBondContact O-CB 3.21Å; G202-Y216 WeakPolarHBondContact O-CD2 3.33Å; G202-Y216 PolarHBondContact O-N 3.1Å
203	E	98.9	Very high	97.8	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.037	16%	0.163	C	C	.	.			trans	-58.5	-45.2	162.3	-174.4	-72.1	150.8	0	0	108.8	H144 D146 W209 L215	H144-E203 HydrophobicContact CB-CB 3.39Å; H144-E203 HydrophobicContact CB-CG 4.02Å; H144-E203 VanDerWaalsContact CG-CB 3.48Å; D146-E203 PolarHBondContact OD1-N 3.17Å; D146-E203 VanDerWaalsContact OD1-N 3.1Å; E203-W209 WeakPolarHBondContact OE1-CH2 3.36Å; E203-W209 VanDerWaalsContact OE1-CZ3 3.28Å; E203-W209 WeakPolarHBondContact OE1-CZ3 3.46Å; E203-L215 HydrophobicContact CG-CD2 3.99Å; E203-L215 PolarHBondContact O-N 3.48Å
204	E	98.7	Very high	97.9	Very high	5 Å²	5	31 Å²	31	2%	0.023	16%	0.162	C	C	.	.	S	Bend	trans	-72.5	145.9	-169	-80.7	-74.5	-160.4	0	0	112.8	D146 K148 L206 H332	D146-E204 PolarHBondContact OD2-N 3.47Å; K148-E204 HydrophobicContact CB-CB 4.26Å; K148-E204 HydrophobicContact CB-CG 3.83Å; K148-E204 HydrophobicContact CG-CB 4.4Å; K148-E204 HydrophobicContact CG-CG 4.32Å; K148-E204 IonicContact NZ-OE2 3.42Å; K148-E204 PolarHBondContact NZ-OE2 3.5Å; E204-L206 PolarHBondContact O-N 3.3Å; E204-H332 IonicContact OE1-CD2 3.3Å; E204-H332 IonicContact OE1-CE1 3.55Å; E204-H332 PolarHBondContact OE1-CE1 3.47Å; E204-H332 IonicContact OE1-NE2 2.69Å; E204-H332 PolarHBondContact OE1-NE2 2.79Å; E204-H332 IonicContact OE2-CE1 3.69Å; E204-H332 IonicContact OE2-NE2 2.73Å
205	A	97.9	Very high	97.9	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.008	16%	0.164	C	C	.	.			trans	-67.1	131.8	164.6	0	0	0	0	0	110.2	K148 Q208 W209 D213	K148-A205 PolarHBondContact NZ-O 3.3Å; A205-Q208 VanDerWaalsContact CB-C 3.48Å; A205-W209 HydrophobicContact CB-CB 4.15Å; A205-W209 HydrophobicContact CB-CE3 4.2Å; A205-W209 VanDerWaalsContact CB-N 3.34Å; A205-D213 WeakPolarHBondContact CA-O 3.39Å; A205-D213 WeakPolarHBondContact CB-O 3.28Å
206	L	96.7	Very high	97.9	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.037	17%	0.165	C	C	.	.	S	Bend	trans	-77.4	-28	176.8	-68.9	168.5	0	0	0	111.7	P83 T117 Y119 L122 F124 E204 D213 Y216	P83-L206 HydrophobicContact CG-CD2 4.47Å; T117-L206 HydrophobicContact CG2-CD1 3.61Å; Y119-L206 HydrophobicContact CD2-CB 4.09Å; Y119-L206 HydrophobicContact CE2-CB 4Å; Y119-L206 WeakPolarHBondContact CE2-O 3.25Å; L122-L206 HydrophobicContact CD1-CD1 3.78Å; F124-L206 HydrophobicContact CZ-CD1 4.45Å; E204-L206 PolarHBondContact O-N 3.3Å; L206-D213 PolarHBondContact N-OD1 3.01Å; L206-Y216 HydrophobicContact CD1-CE2 4.28Å; L206-Y216 HydrophobicContact CG-CE2 4.48Å
207	F	94.8	Very high	97.9	Very high	140 Å²	140	30.9 Å²	30.9	61%	0.614	16%	0.162	S	C	*	.	S	Bend	trans	-129.3	-58.8	175.4	-179.4	-111.5	0	0	0	112.5	P118 Y119 D213	P118-F207 HydrophobicContact CB-CB 3.92Å; P118-F207 HydrophobicContact CG-CB 3.94Å; Y119-F207 HydrophobicContact CE2-CB 4.29Å; F207-D213 WeakPolarHBondContact CA-OD2 3.3Å; F207-D213 PolarHBondContact N-OD2 3.37Å
208	Q	95.5	Very high	97.9	Very high	125 Å²	125	30.9 Å²	30.9	58%	0.584	16%	0.162	S	C	*	.	S	Bend	trans	-145.1	129.7	-177.9	-178.7	178.4	2.5	0	0	110.5	A205 T210 D213	A205-Q208 VanDerWaalsContact CB-C 3.48Å; Q208-T210 HydrophobicContact CG-CG2 4.38Å; Q208-T210 PolarHBondContact O-N 2.87Å; Q208-D213 PolarHBondContact N-OD2 3.43Å; Q208-D213 WeakPolarHBondContact O-CB 3.46Å
209	W	97.4	Very high	97.9	Very high	88 Å²	88	34.5 Å²	34.5	33%	0.333	18%	0.175	S	C	.	.			trans	-57.6	110.5	177.3	-171	-83	0	0	0	112	E203 A205 L215 L306	E203-W209 WeakPolarHBondContact OE1-CH2 3.36Å; E203-W209 VanDerWaalsContact OE1-CZ3 3.28Å; E203-W209 WeakPolarHBondContact OE1-CZ3 3.46Å; A205-W209 HydrophobicContact CB-CB 4.15Å; A205-W209 HydrophobicContact CB-CE3 4.2Å; A205-W209 VanDerWaalsContact CB-N 3.34Å; W209-L215 HydrophobicContact CH2-CD2 3.58Å; W209-L215 HydrophobicContact CH2-CG 3.92Å; W209-L215 HydrophobicContact CZ2-CD1 4.32Å; W209-L215 HydrophobicContact CZ2-CD2 4.16Å; W209-L215 HydrophobicContact CZ2-CG 4.08Å; W209-L215 HydrophobicContact CZ3-CD2 4.49Å; W209-L306 HydrophobicContact CZ2-CB 3.71Å
210	T	97.6	Very high	97.9	Very high	53 Å²	53	37.3 Å²	37.3	33%	0.325	19%	0.188	S	C	.	.	S	Bend	trans	-143.4	170.5	175.8	64.8	0	0	0	0	109.4	Q208 T212 D213 S214	Q208-T210 HydrophobicContact CG-CG2 4.38Å; Q208-T210 PolarHBondContact O-N 2.87Å; T210-T212 PolarHBondContact O-N 2.89Å; T210-T212 PolarHBondContact OG1-N 2.79Å; T210-T212 PolarHBondContact OG1-OG1 3.46Å; T210-D213 PolarHBondContact N-O 2.84Å; T210-D213 CarbonylContact O-C 3.59Å; T210-D213 PolarHBondContact O-N 3.08Å; T210-D213 WeakPolarHBondContact OG1-CB 3.46Å; T210-D213 PolarHBondContact OG1-N 2.95Å; T210-S214 PolarHBondContact O-OG 2.93Å
211	S	95.4	Very high	97.9	Very high	105 Å²	105	37.5 Å²	37.5	73%	0.734	19%	0.19	S	C	*	.	S	Bend	trans	-61	-13.7	177.2	56.6	0	0	0	0	114.9
212	T	96.5	Very high	97.9	Very high	95 Å²	95	37.5 Å²	37.5	58%	0.583	19%	0.19	S	C	*	.	S	Bend	trans	-116.7	-15.3	179.8	51.8	0	0	0	0	113.7	T210 Y216	T210-T212 PolarHBondContact O-N 2.89Å; T210-T212 PolarHBondContact OG1-N 2.79Å; T210-T212 PolarHBondContact OG1-OG1 3.46Å; T212-Y216 PolarHBondContact O-OH 2.92Å
213	D	98.4	Very high	97.9	Very high	5 Å²	5	43 Å²	43	3%	0.027	22%	0.215	C	C	.	.	S	Bend	trans	-119.6	68	174.4	-178	28.7	0	0	0	108.9	P118 A205 L206 F207 Q208 T210 Y216	P118-D213 HydrophobicContact CG-CB 4.04Å; P118-D213 WeakPolarHBondContact CG-OD2 3.44Å; A205-D213 WeakPolarHBondContact CA-O 3.39Å; A205-D213 WeakPolarHBondContact CB-O 3.28Å; L206-D213 PolarHBondContact N-OD1 3.01Å; F207-D213 WeakPolarHBondContact CA-OD2 3.3Å; F207-D213 PolarHBondContact N-OD2 3.37Å; Q208-D213 PolarHBondContact N-OD2 3.43Å; Q208-D213 WeakPolarHBondContact O-CB 3.46Å; T210-D213 PolarHBondContact N-O 2.84Å; T210-D213 CarbonylContact O-C 3.59Å; T210-D213 PolarHBondContact O-N 3.08Å; T210-D213 WeakPolarHBondContact OG1-CB 3.46Å; T210-D213 PolarHBondContact OG1-N 2.95Å; D213-Y216 WeakPolarHBondContact CA-OH 3.49Å; D213-Y216 PolarHBondContact OD1-OH 3.29Å; D213-Y216 VanDerWaalsContact OD1-OH 3.09Å
214	S	98.7	Very high	97.9	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.028	23%	0.231	C	C	.	.	S	Bend	trans	178.1	163.6	173.1	58.2	0	0	0	0	108.9	T210 Y216 R219	T210-S214 PolarHBondContact O-OG 2.93Å; S214-Y216 PolarHBondContact O-N 2.85Å; S214-Y216 VanDerWaalsContact O-N 3.1Å; S214-R219 PolarHBondContact O-NE 2.98Å; S214-R219 PolarHBondContact O-NH2 3.07Å
215	L	98.8	Very high	97.9	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.052	23%	0.231	C	C	.	.			trans	54.1	36.7	166.2	-52.7	-172.2	0	0	0	113.1	G202 E203 W209 S218 R219 D307 I310	G202-L215 PolarHBondContact O-N 2.96Å; E203-L215 HydrophobicContact CG-CD2 3.99Å; E203-L215 PolarHBondContact O-N 3.48Å; W209-L215 HydrophobicContact CH2-CD2 3.58Å; W209-L215 HydrophobicContact CH2-CG 3.92Å; W209-L215 HydrophobicContact CZ2-CD1 4.32Å; W209-L215 HydrophobicContact CZ2-CD2 4.16Å; W209-L215 HydrophobicContact CZ2-CG 4.08Å; W209-L215 HydrophobicContact CZ3-CD2 4.49Å; L215-S218 WeakPolarHBondContact CB-OG 3.41Å; L215-S218 PolarHBondContact O-OG 3.32Å; L215-R219 HydrophobicContact CB-CG 4.1Å; L215-R219 WeakPolarHBondContact O-CB 3.36Å; L215-R219 WeakPolarHBondContact O-CG 3.29Å; L215-R219 PolarHBondContact O-N 2.84Å; L215-R219 PolarHBondContact O-NE 3.5Å; L215-R219 VanDerWaalsContact O-NE 3.1Å; L215-D307 WeakPolarHBondContact CD1-O 3.32Å; L215-D307 VanDerWaalsContact CD2-C 3.47Å; L215-I310 HydrophobicContact CD1-CB 4.23Å
216	Y	98.9	Very high	98	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-59	-54.4	-175.3	-70.4	-85.7	0	0	0	110.7	F113 T117 F124 G202 L206 T212 D213 S214 H220	F113-Y216 WeakPolarHBondContact CZ-O 3.27Å; T117-Y216 HydrophobicContact CG2-CE1 4.03Å; F124-Y216 HydrophobicContact CD1-CG 4.26Å; F124-Y216 HydrophobicContact CE1-CD1 4.14Å; F124-Y216 AromaticContact CE1-CD2 3.73Å; F124-Y216 HydrophobicContact CE1-CD2 3.73Å; F124-Y216 HydrophobicContact CE1-CE2 4.45Å; F124-Y216 AromaticContact CE1-CG 3.54Å; F124-Y216 HydrophobicContact CE1-CG 3.54Å; F124-Y216 HydrophobicContact CE2-CD1 4.02Å; F124-Y216 HydrophobicContact CE2-CG 4.24Å; F124-Y216 AromaticContact CZ-CD1 3.65Å; F124-Y216 HydrophobicContact CZ-CD1 3.65Å; F124-Y216 AromaticContact CZ-CD2 3.87Å; F124-Y216 HydrophobicContact CZ-CD2 3.87Å; F124-Y216 HydrophobicContact CZ-CE1 4.06Å; F124-Y216 HydrophobicContact CZ-CE2 4.25Å; F124-Y216 AromaticContact CZ-CG 3.54Å; F124-Y216 HydrophobicContact CZ-CG 3.54Å; G202-Y216 WeakPolarHBondContact O-CB 3.21Å; G202-Y216 WeakPolarHBondContact O-CD2 3.33Å; G202-Y216 PolarHBondContact O-N 3.1Å; L206-Y216 HydrophobicContact CD1-CE2 4.28Å; L206-Y216 HydrophobicContact CG-CE2 4.48Å; T212-Y216 PolarHBondContact O-OH 2.92Å; D213-Y216 WeakPolarHBondContact CA-OH 3.49Å; D213-Y216 PolarHBondContact OD1-OH 3.29Å; D213-Y216 VanDerWaalsContact OD1-OH 3.09Å; S214-Y216 PolarHBondContact O-N 2.85Å; S214-Y216 VanDerWaalsContact O-N 3.1Å; Y216-H220 WeakPolarHBondContact O-CB 3.23Å; Y216-H220 PolarHBondContact O-N 3.28Å
217	G	98.9	Very high	98	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-51.7	-178.7	0	0	0	0	0	113.4	N126 D201 H220 L221	N126-G217 PolarHBondContact ND2-O 2.86Å; N126-G217 WeakPolarHBondContact OD1-CA 3.42Å; D201-G217 WeakPolarHBondContact O-CA 2.99Å; D201-G217 PolarHBondContact O-N 3.41Å; G217-H220 PolarHBondContact O-N 3.47Å; G217-L221 WeakPolarHBondContact O-CB 3.15Å; G217-L221 PolarHBondContact O-N 2.91Å
218	S	98.9	Very high	98.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.2	-36.1	-178.3	54.6	0	0	0	0	113.4	L215 A222 D308	L215-S218 WeakPolarHBondContact CB-OG 3.41Å; L215-S218 PolarHBondContact O-OG 3.32Å; S218-A222 VanDerWaalsContact O-CB 3.25Å; S218-A222 WeakPolarHBondContact O-CB 3.38Å; S218-A222 PolarHBondContact O-N 2.93Å; S218-D308 WeakPolarHBondContact CB-O 3.13Å; S218-D308 WeakPolarHBondContact CB-OD1 3.04Å; S218-D308 PolarHBondContact OG-OD1 2.54Å
219	R	98.9	Very high	98.3	Very high	76 Å²	76	47.6 Å²	47.6	29%	0.287	25%	0.253	S	S	.	.	H	α-helix	trans	-61	-48	173.3	-76.2	-177.4	-64.7	111.3	-5.9	110.9	S214 L215 E223 P311	S214-R219 PolarHBondContact O-NE 2.98Å; S214-R219 PolarHBondContact O-NH2 3.07Å; L215-R219 HydrophobicContact CB-CG 4.1Å; L215-R219 WeakPolarHBondContact O-CB 3.36Å; L215-R219 WeakPolarHBondContact O-CG 3.29Å; L215-R219 PolarHBondContact O-N 2.84Å; L215-R219 PolarHBondContact O-NE 3.5Å; L215-R219 VanDerWaalsContact O-NE 3.1Å; R219-E223 PolarHBondContact O-N 3.08Å; R219-P311 HydrophobicContact CB-CG 4.32Å; R219-P311 HydrophobicContact CG-CB 4.43Å; R219-P311 HydrophobicContact CG-CG 3.64Å
220	H	98.9	Very high	98.3	Very high	58 Å²	58	44.2 Å²	44.2	27%	0.269	24%	0.241	S	C	.	.	H	α-helix	trans	-62.8	-50.7	178.6	-179.3	-93.2	0	0	0	111.6	D111 F113 Y216 G217 A222 E223 K224	D111-H220 IonicContact OD1-CE1 3.71Å; D111-H220 PolarHBondContact OD1-CE1 3.1Å; D111-H220 VanDerWaalsContact OD1-CE1 3.23Å; D111-H220 IonicContact OD1-ND1 3.89Å; D111-H220 IonicContact OD2-CE1 3.5Å; D111-H220 PolarHBondContact OD2-CE1 3.41Å; D111-H220 IonicContact OD2-ND1 3.52Å; D111-H220 PolarHBondContact OD2-ND1 3.07Å; F113-H220 HydrophobicContact CD1-CB 4.06Å; F113-H220 AromaticContact CD1-CD2 3.97Å; F113-H220 AromaticContact CD1-CE1 3.73Å; F113-H220 AromaticContact CD1-CG 3.53Å; F113-H220 AromaticContact CD1-ND1 3.37Å; F113-H220 WeakPolarHBondContact CD1-ND1 3.42Å; F113-H220 HydrophobicContact CD2-CB 4.12Å; F113-H220 AromaticContact CD2-CD2 3.75Å; F113-H220 AromaticContact CD2-CG 3.86Å; F113-H220 HydrophobicContact CE1-CB 3.73Å; F113-H220 AromaticContact CE1-CG 3.74Å; F113-H220 AromaticContact CE1-ND1 3.79Å; F113-H220 HydrophobicContact CE2-CB 3.79Å; F113-H220 HydrophobicContact CG-CB 4.26Å; F113-H220 AromaticContact CG-CD2 3.57Å; F113-H220 AromaticContact CG-CE1 3.83Å; F113-H220 AromaticContact CG-CG 3.61Å; F113-H220 AromaticContact CG-ND1 3.78Å; F113-H220 AromaticContact CG-NE2 3.73Å; F113-H220 HydrophobicContact CZ-CB 3.59Å; F113-H220 AromaticContact CZ-CG 4Å; Y216-H220 WeakPolarHBondContact O-CB 3.23Å; Y216-H220 PolarHBondContact O-N 3.28Å; G217-H220 PolarHBondContact O-N 3.47Å; H220-A222 PolarHBondContact O-N 2.9Å; H220-E223 PolarHBondContact O-N 3.4Å; H220-K224 PolarHBondContact O-N 3.25Å
221	L	98.9	Very high	98.3	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-65.9	-40	-174.9	-171.5	61.3	0	0	0	111.9	D111 V128 I198 F200 G217 E223 K224 M225 F312	D111-L221 HydrophobicContact CB-CD1 4.25Å; V128-L221 HydrophobicContact CG2-CD1 4.18Å; V128-L221 HydrophobicContact CG2-CD2 3.8Å; I198-L221 HydrophobicContact CD1-CD2 4.04Å; I198-L221 HydrophobicContact CG2-CD2 3.69Å; F200-L221 HydrophobicContact CD1-CD2 4.34Å; F200-L221 HydrophobicContact CE1-CB 4.32Å; F200-L221 HydrophobicContact CE1-CD2 3.74Å; G217-L221 WeakPolarHBondContact O-CB 3.15Å; G217-L221 PolarHBondContact O-N 2.91Å; L221-E223 VanDerWaalsContact C-N 3.33Å; L221-E223 PolarHBondContact O-N 3.19Å; L221-K224 HydrophobicContact CD1-CD 4.41Å; L221-K224 PolarHBondContact O-N 2.81Å; L221-M225 HydrophobicContact CD1-CG 4.18Å; L221-M225 HydrophobicContact CD1-SD 4.39Å; L221-M225 HydrophobicContact CD2-SD 4.34Å; L221-M225 HydrophobicContact CG-CG 4.19Å; L221-M225 HydrophobicContact CG-SD 3.92Å; L221-M225 WeakPolarHBondContact O-CB 3.4Å; L221-M225 VanDerWaalsContact O-CG 3.23Å; L221-M225 WeakPolarHBondContact O-CG 3.48Å; L221-M225 PolarHBondContact O-N 3.45Å; L221-F312 HydrophobicContact CB-CZ 4.45Å; L221-F312 HydrophobicContact CG-CZ 4.46Å
222	A	98.9	Very high	98.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-39.1	176.9	0	0	0	0	0	112.3	S218 H220 E226 P311 F312	S218-A222 VanDerWaalsContact O-CB 3.25Å; S218-A222 WeakPolarHBondContact O-CB 3.38Å; S218-A222 PolarHBondContact O-N 2.93Å; H220-A222 PolarHBondContact O-N 2.9Å; A222-E226 WeakPolarHBondContact O-CB 3.13Å; A222-E226 PolarHBondContact O-N 2.85Å; A222-P311 HydrophobicContact CB-CB 3.6Å; A222-F312 HydrophobicContact CB-CD1 4.04Å; A222-F312 HydrophobicContact CB-CD2 4.17Å; A222-F312 HydrophobicContact CB-CE1 3.91Å; A222-F312 HydrophobicContact CB-CE2 4.04Å; A222-F312 HydrophobicContact CB-CG 4.17Å; A222-F312 HydrophobicContact CB-CZ 3.91Å
223	E	98.8	Very high	98	Very high	116 Å²	116	47 Å²	47	54%	0.542	25%	0.254	S	S	.	.	H	α-helix	trans	-67	-43.5	175	-177.6	174.2	-177.7	0	0	112	R219 H220 L221 E226 T227	R219-E223 PolarHBondContact O-N 3.08Å; H220-E223 PolarHBondContact O-N 3.4Å; L221-E223 VanDerWaalsContact C-N 3.33Å; L221-E223 PolarHBondContact O-N 3.19Å; E223-E226 PolarHBondContact O-N 3.05Å; E223-T227 PolarHBondContact O-N 3.23Å; E223-T227 PolarHBondContact O-OG1 2.9Å; E223-T227 VanDerWaalsContact O-OG1 3.07Å
224	K	98.9	Very high	97.9	Very high	83 Å²	83	47.8 Å²	47.8	36%	0.361	26%	0.262	S	S	.	.	H	α-helix	trans	-60.4	-46.2	174.2	-177.3	-179.3	-178.4	-177.5	0	111.9	D111 H220 L221 E226 T227 T228	D111-K224 WeakPolarHBondContact OD1-CD 3.21Å; D111-K224 WeakPolarHBondContact OD1-CE 3.33Å; D111-K224 IonicContact OD1-NZ 3.23Å; D111-K224 PolarHBondContact OD1-NZ 3.49Å; H220-K224 PolarHBondContact O-N 3.25Å; L221-K224 HydrophobicContact CD1-CD 4.41Å; L221-K224 PolarHBondContact O-N 2.81Å; K224-E226 VanDerWaalsContact C-N 3.32Å; K224-E226 PolarHBondContact O-N 3.12Å; K224-T227 PolarHBondContact O-N 3.02Å; K224-T227 PolarHBondContact O-OG1 3.1Å; K224-T227 VanDerWaalsContact O-OG1 3.06Å; K224-T228 WeakPolarHBondContact O-CB 3.34Å; K224-T228 PolarHBondContact O-N 3.31Å; K224-T228 PolarHBondContact O-OG1 3.06Å
225	M	98.8	Very high	97.7	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.03	31%	0.305	C	S	.	.	H	α-helix	trans	-67.1	-32.1	-180	-71.8	-178.7	77.9	0	0	112.5	L221 T227 Q239 L240 M243 F312	L221-M225 HydrophobicContact CD1-CG 4.18Å; L221-M225 HydrophobicContact CD1-SD 4.39Å; L221-M225 HydrophobicContact CD2-SD 4.34Å; L221-M225 HydrophobicContact CG-CG 4.19Å; L221-M225 HydrophobicContact CG-SD 3.92Å; L221-M225 WeakPolarHBondContact O-CB 3.4Å; L221-M225 VanDerWaalsContact O-CG 3.23Å; L221-M225 WeakPolarHBondContact O-CG 3.48Å; L221-M225 PolarHBondContact O-N 3.45Å; M225-T227 VanDerWaalsContact C-N 3.28Å; M225-T227 PolarHBondContact O-N 3.12Å; M225-Q239 HydrophobicContact CB-CB 3.91Å; M225-Q239 HydrophobicContact CE-CB 3.83Å; M225-Q239 HydrophobicContact CG-CB 4.17Å; M225-Q239 PolarHBondContact O-N 3.38Å; M225-L240 HydrophobicContact CB-CD2 3.54Å; M225-L240 HydrophobicContact CB-CG 3.93Å; M225-L240 HydrophobicContact CE-CD2 4.42Å; M225-L240 HydrophobicContact SD-CD2 4.33Å; M225-M243 HydrophobicContact CE-CE 4.46Å; M225-M243 HydrophobicContact CE-CG 3.92Å; M225-M243 HydrophobicContact CE-SD 3.62Å; M225-M243 HydrophobicContact SD-SD 4.28Å; M225-F312 HydrophobicContact SD-CE1 3.76Å; M225-F312 HydrophobicContact SD-CZ 4.38Å
226	E	98.6	Very high	97.6	Very high	79 Å²	79	63 Å²	63	37%	0.369	34%	0.337	S	S	.	.	H	α-helix	trans	-65.6	-31.9	174.4	-173.7	168.5	-132.3	0	0	112.5	A222 E223 K224 N238 L240 R315	A222-E226 WeakPolarHBondContact O-CB 3.13Å; A222-E226 PolarHBondContact O-N 2.85Å; E223-E226 PolarHBondContact O-N 3.05Å; K224-E226 VanDerWaalsContact C-N 3.32Å; K224-E226 PolarHBondContact O-N 3.12Å; E226-N238 VanDerWaalsContact O-CB 3.29Å; E226-N238 WeakPolarHBondContact O-CB 3.48Å; E226-N238 VanDerWaalsContact O-CG 3.29Å; E226-N238 PolarHBondContact O-ND2 2.74Å; E226-L240 HydrophobicContact CB-CD1 3.66Å; E226-L240 HydrophobicContact CB-CG 4.39Å; E226-L240 HydrophobicContact CG-CD1 4.22Å; E226-R315 IonicContact OE1-NE 2.86Å; E226-R315 IonicContact OE2-CZ 3.41Å; E226-R315 IonicContact OE2-NE 2.96Å; E226-R315 PolarHBondContact OE2-NE 3.46Å; E226-R315 IonicContact OE2-NH2 2.93Å
227	T	98.1	Very high	97.5	Very high	105 Å²	105	63.8 Å²	63.8	64%	0.644	34%	0.342	S	S	*	.	H	α-helix	trans	-97.5	-4.3	-177.4	54.4	0	0	0	0	113.7	E223 K224 M225 P229	E223-T227 PolarHBondContact O-N 3.23Å; E223-T227 PolarHBondContact O-OG1 2.9Å; E223-T227 VanDerWaalsContact O-OG1 3.07Å; K224-T227 PolarHBondContact O-N 3.02Å; K224-T227 PolarHBondContact O-OG1 3.1Å; K224-T227 VanDerWaalsContact O-OG1 3.06Å; M225-T227 VanDerWaalsContact C-N 3.28Å; M225-T227 PolarHBondContact O-N 3.12Å; T227-P229 WeakPolarHBondContact O-CD 3.15Å
228	T	98.3	Very high	97.5	Very high	42 Å²	42	65 Å²	65	26%	0.258	35%	0.348	S	S	.	.	S	Bend	trans	-96.4	115	179.8	-58.8	0	0	0	0	110.4	K224 N238 Q239	K224-T228 WeakPolarHBondContact O-CB 3.34Å; K224-T228 PolarHBondContact O-N 3.31Å; K224-T228 PolarHBondContact O-OG1 3.06Å; T228-N238 CarbonylContact O-C 3.43Å; T228-N238 WeakPolarHBondContact O-CA 3.42Å; T228-N238 VanDerWaalsContact O-CB 3.29Å; T228-N238 WeakPolarHBondContact O-CB 3.41Å; T228-Q239 VanDerWaalsContact CG2-CD 3.48Å; T228-Q239 HydrophobicContact CG2-CG 3.95Å; T228-Q239 PolarHBondContact O-N 2.88Å
229	P	98.1	Very high	97.5	Very high	67 Å²	67	67.9 Å²	67.9	44%	0.435	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-55.2	138.2	177.3	-28.9	37.4	0	0	0	113.1	T227 A234 T237	T227-P229 WeakPolarHBondContact O-CD 3.15Å; P229-A234 WeakPolarHBondContact CB-O 3.43Å; P229-T237 WeakPolarHBondContact CA-O 3.17Å
230	H	97.6	Very high	97.5	Very high	16 Å²	16	64.8 Å²	64.8	7%	0.074	35%	0.35	C	S	.	.	S	Bend	trans	-151.5	127.5	175.6	-169.1	72.3	0	0	0	111.7	W40 A135 T136 H138 T237 N238 Q239	W40-H230 WeakPolarHBondContact CZ2-O 3.38Å; A135-H230 PolarHBondContact O-CE1 3.28Å; A135-H230 VanDerWaalsContact O-CE1 3.31Å; A135-H230 PolarHBondContact O-NE2 3.2Å; A135-H230 VanDerWaalsContact O-NE2 3.1Å; T136-H230 WeakPolarHBondContact CA-NE2 3.35Å; T136-H230 PolarHBondContact O-CD2 2.82Å; T136-H230 PolarHBondContact O-NE2 3.12Å; H138-H230 AromaticContact CE1-CE1 3.85Å; H138-H230 AromaticContact CE1-NE2 3.64Å; H230-T237 PolarHBondContact N-O 3.43Å; H230-T237 VanDerWaalsContact N-O 3.13Å; H230-T237 CarbonylContact O-C 3.55Å; H230-T237 WeakPolarHBondContact O-CB 3.5Å; H230-T237 PolarHBondContact O-OG1 3.09Å; H230-T237 VanDerWaalsContact O-OG1 3.12Å; H230-N238 VanDerWaalsContact CB-C 3.46Å; H230-Q239 HydrophobicContact CB-CB 4.32Å; H230-Q239 HydrophobicContact CB-CG 3.79Å
231	P	95.9	Very high	97.4	Very high	45 Å²	45	65.3 Å²	65.3	29%	0.292	35%	0.353	S	S	.	.	S	Bend	cis	-63.1	169.6	-3.1	28.4	-35.6	0	0	0	112.7	T136 G233 A234	T136-P231 HydrophobicContact CG2-CB 4.3Å; T136-P231 HydrophobicContact CG2-CG 4.2Å; P231-G233 PolarHBondContact O-N 3.26Å; P231-A234 WeakPolarHBondContact O-CB 3.46Å; P231-A234 PolarHBondContact O-N 2.98Å
232	E	93.1	Very high	97.4	Very high	198 Å²	198	65.1 Å²	65.1	93%	0.925	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	129.4	-178.8	-171.6	179.7	177.5	0	0	111
233	G	93.8	Very high	97.4	Very high	69 Å²	69	65.1 Å²	65.1	71%	0.711	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	1.4	-177.1	0	0	0	0	0	115.7	P231	P231-G233 PolarHBondContact O-N 3.26Å
234	A	95.6	Very high	97.4	Very high	22 Å²	22	59.7 Å²	59.7	18%	0.182	33%	0.326	C	S	.	.			trans	-65.1	144.3	173	0	0	0	0	0	112.3	P229 P231 T237	P229-A234 WeakPolarHBondContact CB-O 3.43Å; P231-A234 WeakPolarHBondContact O-CB 3.46Å; P231-A234 PolarHBondContact O-N 2.98Å; A234-T237 WeakPolarHBondContact CB-OG1 3.37Å
235	E	95.1	Very high	97.4	Very high	200 Å²	200	55.7 Å²	55.7	94%	0.935	31%	0.309	S	S	*	.	S	Bend	trans	-101.3	-21.8	-179.9	-63.9	-174.4	170.5	0	0	113.1
236	D	95.6	Very high	97.4	Very high	134 Å²	134	55.4 Å²	55.4	72%	0.717	31%	0.308	S	S	*	.	S	Bend	trans	-123.8	-1.3	-169.1	67.2	-17.4	0	0	0	114
237	T	97.9	Very high	97.4	Very high	19 Å²	19	51.8 Å²	51.8	12%	0.117	29%	0.291	C	S	.	.			trans	-135.2	152.1	-176	41.4	0	0	0	0	111.3	W40 T41 P229 H230 A234 H241	W40-T237 HydrophobicContact CZ2-CG2 4.02Å; T41-T237 HydrophobicContact CG2-CG2 3.66Å; P229-T237 WeakPolarHBondContact CA-O 3.17Å; H230-T237 PolarHBondContact N-O 3.43Å; H230-T237 VanDerWaalsContact N-O 3.13Å; H230-T237 CarbonylContact O-C 3.55Å; H230-T237 WeakPolarHBondContact O-CB 3.5Å; H230-T237 PolarHBondContact O-OG1 3.09Å; H230-T237 VanDerWaalsContact O-OG1 3.12Å; A234-T237 WeakPolarHBondContact CB-OG1 3.37Å; T237-H241 HydrophobicContact CG2-CB 4.49Å
238	N	98.3	Very high	97.5	Very high	25 Å²	25	46.8 Å²	46.8	13%	0.134	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-138.5	172.8	-172.8	66.3	30.4	0	0	0	110.6	E226 T228 H230 L240 H241	E226-N238 VanDerWaalsContact O-CB 3.29Å; E226-N238 WeakPolarHBondContact O-CB 3.48Å; E226-N238 VanDerWaalsContact O-CG 3.29Å; E226-N238 PolarHBondContact O-ND2 2.74Å; T228-N238 CarbonylContact O-C 3.43Å; T228-N238 WeakPolarHBondContact O-CA 3.42Å; T228-N238 VanDerWaalsContact O-CB 3.29Å; T228-N238 WeakPolarHBondContact O-CB 3.41Å; H230-N238 VanDerWaalsContact CB-C 3.46Å; N238-L240 PolarHBondContact O-N 3Å; N238-L240 VanDerWaalsContact O-N 3.15Å; N238-L240 WeakPolarHBondContact OD1-CB 3.43Å; N238-L240 PolarHBondContact OD1-N 3.27Å; N238-L240 VanDerWaalsContact OD1-N 3.1Å; N238-H241 VanDerWaalsContact CG-ND1 3.26Å; N238-H241 PolarHBondContact N-ND1 3.16Å; N238-H241 VanDerWaalsContact N-ND1 3.14Å; N238-H241 WeakPolarHBondContact O-CB 3.2Å; N238-H241 PolarHBondContact O-N 3.29Å; N238-H241 PolarHBondContact OD1-N 2.99Å; N238-H241 PolarHBondContact OD1-ND1 3.49Å
239	Q	98.6	Very high	97.5	Very high	60 Å²	60	45 Å²	45	28%	0.28	25%	0.249	S	C	.	.	H	α-helix	trans	-58.7	-30.3	-175.5	-69.3	179.8	-33	0	0	113.3	M225 T228 H230 H241 G242 M243	M225-Q239 HydrophobicContact CB-CB 3.91Å; M225-Q239 HydrophobicContact CE-CB 3.83Å; M225-Q239 HydrophobicContact CG-CB 4.17Å; M225-Q239 PolarHBondContact O-N 3.38Å; T228-Q239 VanDerWaalsContact CG2-CD 3.48Å; T228-Q239 HydrophobicContact CG2-CG 3.95Å; T228-Q239 PolarHBondContact O-N 2.88Å; H230-Q239 HydrophobicContact CB-CB 4.32Å; H230-Q239 HydrophobicContact CB-CG 3.79Å; Q239-H241 VanDerWaalsContact C-N 3.31Å; Q239-H241 PolarHBondContact O-N 2.85Å; Q239-G242 WeakPolarHBondContact O-CA 3.22Å; Q239-G242 PolarHBondContact O-N 3.44Å; Q239-G242 VanDerWaalsContact O-N 3.1Å; Q239-M243 PolarHBondContact O-N 3.11Å
240	L	98.8	Very high	97.5	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.058	23%	0.23	C	C	.	.	H	α-helix	trans	-66.6	-31.7	175.8	-59.8	-175.7	0	0	0	112.9	M225 E226 N238 G242 M243 F312 R315 V317	M225-L240 HydrophobicContact CB-CD2 3.54Å; M225-L240 HydrophobicContact CB-CG 3.93Å; M225-L240 HydrophobicContact CE-CD2 4.42Å; M225-L240 HydrophobicContact SD-CD2 4.33Å; E226-L240 HydrophobicContact CB-CD1 3.66Å; E226-L240 HydrophobicContact CB-CG 4.39Å; E226-L240 HydrophobicContact CG-CD1 4.22Å; N238-L240 PolarHBondContact O-N 3Å; N238-L240 VanDerWaalsContact O-N 3.15Å; N238-L240 WeakPolarHBondContact OD1-CB 3.43Å; N238-L240 PolarHBondContact OD1-N 3.27Å; N238-L240 VanDerWaalsContact OD1-N 3.1Å; L240-G242 PolarHBondContact O-N 3.28Å; L240-M243 HydrophobicContact CD2-SD 3.64Å; L240-M243 PolarHBondContact O-N 2.87Å; L240-F312 HydrophobicContact CD2-CD1 3.76Å; L240-F312 HydrophobicContact CD2-CE1 3.99Å; L240-R315 HydrophobicContact CD1-CB 3.68Å; L240-R315 VanDerWaalsContact CD1-CD 3.43Å; L240-R315 HydrophobicContact CD1-CG 4.18Å; L240-V317 HydrophobicContact CB-CG2 4.25Å; L240-V317 HydrophobicContact CD2-CG2 4.15Å
241	H	98.6	Very high	97.6	Very high	70 Å²	70	41.5 Å²	41.5	32%	0.324	23%	0.227	S	C	.	.	H	α-helix	trans	-64	-33.9	172.8	-64.8	99.6	0	0	0	111.7	W40 T41 K44 T237 N238 Q239 M243	W40-H241 HydrophobicContact CH2-CB 4.06Å; W40-H241 HydrophobicContact CZ2-CB 4.46Å; T41-H241 HydrophobicContact CG2-CB 3.77Å; K44-H241 PolarHBondContact NZ-O 2.66Å; T237-H241 HydrophobicContact CG2-CB 4.49Å; N238-H241 VanDerWaalsContact CG-ND1 3.26Å; N238-H241 PolarHBondContact N-ND1 3.16Å; N238-H241 VanDerWaalsContact N-ND1 3.14Å; N238-H241 WeakPolarHBondContact O-CB 3.2Å; N238-H241 PolarHBondContact O-N 3.29Å; N238-H241 PolarHBondContact OD1-N 2.99Å; N238-H241 PolarHBondContact OD1-ND1 3.49Å; Q239-H241 VanDerWaalsContact C-N 3.31Å; Q239-H241 PolarHBondContact O-N 2.85Å; H241-M243 VanDerWaalsContact C-N 3.33Å
242	G	98.4	Very high	97.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.4	-22.9	174.3	0	0	0	0	0	115	T136 R137 H138 Q239 L240 D244	T136-G242 VanDerWaalsContact O-CA 3.23Å; T136-G242 WeakPolarHBondContact O-CA 3.5Å; R137-G242 CarbonylContact C-O 3.52Å; R137-G242 VanDerWaalsContact CA-O 3.27Å; R137-G242 WeakPolarHBondContact CA-O 3.23Å; H138-G242 PolarHBondContact N-O 3.4Å; Q239-G242 WeakPolarHBondContact O-CA 3.22Å; Q239-G242 PolarHBondContact O-N 3.44Å; Q239-G242 VanDerWaalsContact O-N 3.1Å; L240-G242 PolarHBondContact O-N 3.28Å; G242-D244 PolarHBondContact O-N 2.99Å; G242-D244 VanDerWaalsContact O-N 3.08Å
243	M	98.8	Very high	98	Very high	1 Å²	1	30 Å²	30	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	109.9	176.8	-60.8	179.8	83.1	0	0	110.4	K44 V140 M225 Q239 L240 H241 L246 F312 V317	K44-M243 PolarHBondContact NZ-O 3.25Å; V140-M243 HydrophobicContact CB-CE 4.06Å; V140-M243 HydrophobicContact CG1-CE 4.04Å; V140-M243 HydrophobicContact CG2-CB 4.39Å; V140-M243 HydrophobicContact CG2-CE 3.77Å; V140-M243 HydrophobicContact CG2-CG 4.06Å; M225-M243 HydrophobicContact CE-CE 4.46Å; M225-M243 HydrophobicContact CE-CG 3.92Å; M225-M243 HydrophobicContact CE-SD 3.62Å; M225-M243 HydrophobicContact SD-SD 4.28Å; Q239-M243 PolarHBondContact O-N 3.11Å; L240-M243 HydrophobicContact CD2-SD 3.64Å; L240-M243 PolarHBondContact O-N 2.87Å; H241-M243 VanDerWaalsContact C-N 3.33Å; M243-L246 HydrophobicContact CE-CB 4.19Å; M243-L246 HydrophobicContact CE-CD1 4.2Å; M243-L246 HydrophobicContact CE-CD2 4.36Å; M243-L246 HydrophobicContact CE-CG 4.49Å; M243-F312 HydrophobicContact CE-CD1 3.74Å; M243-F312 HydrophobicContact CE-CE1 3.87Å; M243-F312 HydrophobicContact SD-CD1 3.62Å; M243-F312 HydrophobicContact SD-CE1 3.84Å; M243-V317 HydrophobicContact CB-CG1 3.91Å; M243-V317 HydrophobicContact CB-CG2 4.42Å; M243-V317 HydrophobicContact CE-CG1 4.27Å; M243-V317 HydrophobicContact SD-CG1 4.2Å; M243-V317 HydrophobicContact SD-CG2 4.01Å
244	D	98.7	Very high	98.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-48.3	-177.4	-126.5	54.8	0	0	0	110.7	K44 R137 H138 L193 G242 Y360	K44-D244 HydrophobicContact CB-CB 4.39Å; K44-D244 VanDerWaalsContact CB-OD1 3.25Å; K44-D244 WeakPolarHBondContact CB-OD1 3.41Å; R137-D244 IonicContact CZ-OD1 3.82Å; R137-D244 VanDerWaalsContact CZ-OD1 3.3Å; R137-D244 IonicContact CZ-OD2 3.67Å; R137-D244 IonicContact NE-OD1 2.67Å; R137-D244 PolarHBondContact NE-OD1 3.4Å; R137-D244 IonicContact NE-OD2 3.75Å; R137-D244 VanDerWaalsContact NH2-CG 3.27Å; R137-D244 IonicContact NH2-OD1 3.74Å; R137-D244 PolarHBondContact NH2-OD1 3.48Å; R137-D244 IonicContact NH2-OD2 2.69Å; R137-D244 PolarHBondContact NH2-OD2 3.47Å; H138-D244 VanDerWaalsContact O-CB 3.28Å; H138-D244 WeakPolarHBondContact O-CB 3.37Å; H138-D244 PolarHBondContact O-N 3.06Å; L193-D244 HydrophobicContact CD1-CB 4.22Å; G242-D244 PolarHBondContact O-N 2.99Å; G242-D244 VanDerWaalsContact O-N 3.08Å; D244-Y360 HydrophobicContact CB-CE1 4.35Å; D244-Y360 WeakPolarHBondContact CB-OH 3.4Å; D244-Y360 PolarHBondContact OD2-OH 3.17Å
245	L	98.9	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	130.1	178.7	-178.6	68.6	0	0	0	107.6	L139 V140 V247 T266 W269 R318 L320 F356 Y360	L139-L245 HydrophobicContact CD1-CB 4Å; L139-L245 HydrophobicContact CD1-CD2 4.19Å; L139-L245 HydrophobicContact CD1-CG 4.46Å; V140-L245 PolarHBondContact N-O 3.27Å; L245-V247 HydrophobicContact CD2-CG2 3.72Å; L245-V247 HydrophobicContact CG-CG2 3.94Å; L245-T266 HydrophobicContact CD1-CG2 3.67Å; L245-W269 HydrophobicContact CD2-CB 4.15Å; L245-W269 HydrophobicContact CD2-CD2 4.29Å; L245-W269 HydrophobicContact CD2-CG 3.8Å; L245-R318 HydrophobicContact CD1-CB 4.1Å; L245-L320 HydrophobicContact CD1-CB 4.02Å; L245-L320 HydrophobicContact CD2-CB 4.21Å; L245-L320 HydrophobicContact CD2-CD2 4.29Å; L245-L320 HydrophobicContact CG-CB 4.27Å; L245-F356 HydrophobicContact CD2-CZ 4.16Å; L245-Y360 HydrophobicContact CB-CE2 4.37Å; L245-Y360 HydrophobicContact CD2-CE2 3.99Å
246	L	98.9	Very high	98.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	109.2	166.7	176	58.3	0	0	0	108.6	V140 A142 M243 H309 F312 V317 R318 I319 L320	V140-L246 HydrophobicContact CB-CD1 4.05Å; V140-L246 HydrophobicContact CG1-CD1 3.67Å; A142-L246 HydrophobicContact CB-CD1 3.69Å; M243-L246 HydrophobicContact CE-CB 4.19Å; M243-L246 HydrophobicContact CE-CD1 4.2Å; M243-L246 HydrophobicContact CE-CD2 4.36Å; M243-L246 HydrophobicContact CE-CG 4.49Å; L246-H309 HydrophobicContact CD2-CB 4.29Å; L246-F312 HydrophobicContact CD2-CB 3.94Å; L246-F312 HydrophobicContact CD2-CD1 4.5Å; L246-F312 HydrophobicContact CD2-CD2 3.88Å; L246-F312 HydrophobicContact CD2-CG 3.85Å; L246-V317 HydrophobicContact CB-CG1 4Å; L246-R318 PolarHBondContact N-O 3.43Å; L246-I319 HydrophobicContact CB-CD1 3.83Å; L246-I319 HydrophobicContact CD2-CD1 3.87Å; L246-I319 HydrophobicContact CG-CD1 4.24Å; L246-I319 WeakPolarHBondContact O-CA 3.17Å; L246-L320 PolarHBondContact O-N 2.93Å
247	V	98.9	Very high	98.6	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.018	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	102.6	172.5	-172.1	0	0	0	0	107.6	L139 V140 L141 A142 L245 L249 L320 L322 F356	L139-V247 HydrophobicContact CD1-CG2 3.94Å; V140-V247 PolarHBondContact O-N 2.86Å; L141-V247 CarbonylContact C-O 3.55Å; L141-V247 WeakPolarHBondContact CA-O 3.47Å; L141-V247 HydrophobicContact CD2-CB 3.63Å; L141-V247 HydrophobicContact CD2-CG1 4.14Å; L141-V247 HydrophobicContact CD2-CG2 3.93Å; A142-V247 PolarHBondContact N-O 3.42Å; L245-V247 HydrophobicContact CD2-CG2 3.72Å; L245-V247 HydrophobicContact CG-CG2 3.94Å; V247-L249 HydrophobicContact CG1-CD1 4.06Å; V247-L320 VanDerWaalsContact CA-O 3.32Å; V247-L320 WeakPolarHBondContact CA-O 3.44Å; V247-L320 HydrophobicContact CG1-CD2 4.19Å; V247-L320 HydrophobicContact CG1-CG 4.44Å; V247-L320 HydrophobicContact CG2-CB 4.31Å; V247-L320 HydrophobicContact CG2-CD2 4.19Å; V247-L322 HydrophobicContact CG1-CD1 3.59Å; V247-L322 HydrophobicContact CG1-CG 4.07Å; V247-F356 HydrophobicContact CG2-CE1 4.11Å
248	L	98.9	Very high	98.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.7	-178.1	179.9	56.8	0	0	0	109.5	A142 D307 D308 H309 L320 L322	A142-L248 HydrophobicContact CB-CD1 4.05Å; L248-D307 HydrophobicContact CD2-CB 4.34Å; L248-D307 WeakPolarHBondContact CD2-OD2 3.35Å; L248-D308 HydrophobicContact CD1-CB 4.31Å; L248-D308 HydrophobicContact CD2-CB 3.96Å; L248-H309 HydrophobicContact CD2-CB 3.62Å; L248-H309 VanDerWaalsContact CD2-N 3.26Å; L248-L320 PolarHBondContact N-O 2.91Å; L248-L322 WeakPolarHBondContact O-CA 3.46Å; L248-L322 WeakPolarHBondContact O-CB 3.3Å; L248-L322 PolarHBondContact O-N 3.32Å
249	L	98.9	Very high	98.6	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.2	178.4	-69.8	74.4	0	0	0	108.4	A142 C143 P168 V247 I252 F353	A142-L249 PolarHBondContact O-N 2.88Å; C143-L249 VanDerWaalsContact CB-O 3.29Å; C143-L249 WeakPolarHBondContact CB-O 3.46Å; P168-L249 HydrophobicContact CB-CB 3.88Å; P168-L249 HydrophobicContact CG-CB 4.41Å; V247-L249 HydrophobicContact CG1-CD1 4.06Å; L249-I252 HydrophobicContact CB-CD1 3.94Å; L249-I252 HydrophobicContact CD2-CD1 4.2Å; L249-I252 HydrophobicContact CG-CD1 4.09Å; L249-F353 HydrophobicContact CD2-CD2 3.88Å; L249-F353 HydrophobicContact CD2-CE2 3.5Å; L249-F353 VanDerWaalsContact CD2-CE2 3.5Å; L249-F353 HydrophobicContact CD2-CZ 4.4Å; L249-F353 HydrophobicContact CG-CE2 4.12Å
250	D	98.9	Very high	98.6	Very high	8 Å²	8	18 Å²	18	4%	0.043	10%	0.095	C	C	.	.			trans	-148.9	149.6	178.7	-173.7	26	0	0	0	111.2	H144 S165 I252 L322 I323 P324	H144-D250 IonicContact CD2-OD1 2.78Å; H144-D250 IonicContact NE2-OD1 3.69Å; H144-D250 PolarHBondContact NE2-OD1 3.06Å; S165-D250 PolarHBondContact OG-OD1 3.22Å; D250-I252 WeakPolarHBondContact O-CG1 3.04Å; D250-I252 PolarHBondContact O-N 3.03Å; D250-L322 PolarHBondContact N-O 3.36Å; D250-I323 HydrophobicContact CB-CB 4.37Å; D250-I323 HydrophobicContact CB-CD1 4.21Å; D250-I323 HydrophobicContact CB-CG1 4.19Å; D250-I323 WeakPolarHBondContact O-CA 3.43Å; D250-I323 VanDerWaalsContact OD2-CD1 3.22Å; D250-I323 WeakPolarHBondContact OD2-CD1 3.45Å; D250-P324 WeakPolarHBondContact O-CD 3.12Å
251	L	98.9	Very high	98.6	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	10%	0.1	C	C	.	.	S	Bend	trans	51.5	38	-179.9	-49.9	-172.7	0	0	0	114.3	T163 D164 I323 P324 F327 P328 W331	T163-L251 CarbonylContact O-C 3.52Å; T163-L251 WeakPolarHBondContact O-CA 3.32Å; T163-L251 PolarHBondContact O-N 3.4Å; D164-L251 HydrophobicContact CB-CD2 3.53Å; L251-I323 HydrophobicContact CB-CG1 4.12Å; L251-I323 HydrophobicContact CD1-CD1 3.86Å; L251-I323 HydrophobicContact CD1-CG1 4.07Å; L251-I323 HydrophobicContact CG-CD1 4.04Å; L251-I323 HydrophobicContact CG-CG1 4.05Å; L251-P324 HydrophobicContact CB-CG 4.19Å; L251-P324 VanDerWaalsContact O-CG 3.29Å; L251-P324 WeakPolarHBondContact O-CG 3.47Å; L251-F327 HydrophobicContact CD1-CB 3.93Å; L251-F327 HydrophobicContact CD1-CD1 3.65Å; L251-F327 HydrophobicContact CD1-CD2 3.73Å; L251-F327 HydrophobicContact CD1-CE1 4.02Å; L251-F327 HydrophobicContact CD1-CE2 4.08Å; L251-F327 HydrophobicContact CD1-CG 3.51Å; L251-F327 HydrophobicContact CD1-CZ 4.22Å; L251-P328 HydrophobicContact CB-CG 4.04Å; L251-P328 WeakPolarHBondContact O-CG 3.27Å; L251-W331 HydrophobicContact CD1-CG 4.25Å
252	I	98.9	Very high	98.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.			trans	-95.2	134.7	179.8	-56.6	-174.6	0	0	0	109.7	T163 V167 P168 M171 L249 D250 F259 L349 F353	T163-I252 WeakPolarHBondContact CA-O 3.46Å; T163-I252 PolarHBondContact O-N 2.75Å; V167-I252 WeakPolarHBondContact CB-O 3.48Å; V167-I252 HydrophobicContact CG1-CG2 4.29Å; V167-I252 WeakPolarHBondContact CG1-O 3.19Å; P168-I252 HydrophobicContact CG-CB 4.1Å; P168-I252 HydrophobicContact CG-CG1 4.41Å; M171-I252 HydrophobicContact CE-CG2 4.33Å; M171-I252 HydrophobicContact SD-CB 4.4Å; M171-I252 HydrophobicContact SD-CG2 3.71Å; L249-I252 HydrophobicContact CB-CD1 3.94Å; L249-I252 HydrophobicContact CD2-CD1 4.2Å; L249-I252 HydrophobicContact CG-CD1 4.09Å; D250-I252 WeakPolarHBondContact O-CG1 3.04Å; D250-I252 PolarHBondContact O-N 3.03Å; I252-F259 HydrophobicContact CD1-CE1 4.22Å; I252-F259 HydrophobicContact CD1-CZ 4.04Å; I252-F259 HydrophobicContact CG1-CE1 4.15Å; I252-F259 HydrophobicContact CG1-CZ 4.01Å; I252-L349 HydrophobicContact CG2-CD1 3.48Å; I252-L349 VanDerWaalsContact CG2-CD1 3.48Å; I252-F353 HydrophobicContact CD1-CE2 4.17Å; I252-F353 HydrophobicContact CD1-CZ 4.31Å
253	G	98.7	Very high	98.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.			trans	140.1	-17.8	170.6	0	0	0	0	0	114	D342	G253-D342 PolarHBondContact O-N 2.95Å
254	A	98.7	Very high	98.3	Very high	14 Å²	14	22.6 Å²	22.6	12%	0.116	13%	0.127	C	C	.	.	S	Bend	trans	-73	157.8	170.4	0	0	0	0	0	112	T163 P328	T163-A254 HydrophobicContact CG2-CB 4.41Å; A254-P328 HydrophobicContact CB-CB 3.7Å; A254-P328 HydrophobicContact CB-CG 3.84Å
255	P	98.3	Very high	98.2	Very high	63 Å²	63	26.1 Å²	26.1	41%	0.409	15%	0.152	S	C	.	.	S	Bend	trans	-69.2	147	178.7	28.7	-35.7	0	0	0	112.3	D342	P255-D342 HydrophobicContact CB-CB 3.81Å; P255-D342 HydrophobicContact CG-CB 4.47Å
256	H	96.7	Very high	98.2	Very high	140 Å²	140	26.3 Å²	26.3	65%	0.648	15%	0.153	S	C	*	.	S	Bend	trans	55.4	48.5	174.5	-42.7	106.2	0	0	0	115.7
257	P	98.5	Very high	98.1	Very high	10 Å²	10	27.7 Å²	27.7	7%	0.065	16%	0.162	C	C	.	.			trans	-65.8	146.7	177.8	30.1	-35.1	0	0	0	110.6	F259 Y295 P324 T345 L349	P257-F259 HydrophobicContact CB-CE2 3.93Å; P257-F259 HydrophobicContact CB-CZ 3.96Å; P257-F259 HydrophobicContact CG-CE2 3.96Å; P257-F259 HydrophobicContact CG-CZ 4.28Å; P257-Y295 HydrophobicContact CG-CD1 3.95Å; P257-Y295 HydrophobicContact CG-CE1 4.38Å; P257-Y295 WeakPolarHBondContact O-CA 3.13Å; P257-P324 HydrophobicContact CB-CB 3.86Å; P257-P324 HydrophobicContact CB-CG 4.48Å; P257-T345 VanDerWaalsContact CD-CG2 3.44Å; P257-T345 HydrophobicContact CG-CG2 3.58Å; P257-L349 HydrophobicContact CG-CD1 4.26Å
258	I	98.6	Very high	98.1	Very high	46 Å²	46	32.3 Å²	32.3	24%	0.236	19%	0.19	C	C	.	.			trans	-123.5	107.4	176.2	-60.6	173.7	0	0	0	109.2	W297 R300 P324 Y325	I258-W297 HydrophobicContact CG2-CG 4.15Å; I258-R300 VanDerWaalsContact CD1-NH1 3.26Å; I258-P324 CarbonylContact O-C 3.46Å; I258-P324 VanDerWaalsContact O-CA 3.3Å; I258-P324 WeakPolarHBondContact O-CA 3.4Å; I258-Y325 PolarHBondContact O-N 2.93Å
259	F	98.8	Very high	98.1	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	108	174.6	-55.3	-75.3	0	0	0	109.8	I252 P257 Y295 F296 W297 L322 P324 L349	I252-F259 HydrophobicContact CD1-CE1 4.22Å; I252-F259 HydrophobicContact CD1-CZ 4.04Å; I252-F259 HydrophobicContact CG1-CE1 4.15Å; I252-F259 HydrophobicContact CG1-CZ 4.01Å; P257-F259 HydrophobicContact CB-CE2 3.93Å; P257-F259 HydrophobicContact CB-CZ 3.96Å; P257-F259 HydrophobicContact CG-CE2 3.96Å; P257-F259 HydrophobicContact CG-CZ 4.28Å; F259-Y295 PolarHBondContact N-O 2.95Å; F259-F296 HydrophobicContact CB-CD1 3.86Å; F259-F296 HydrophobicContact CB-CE1 4.2Å; F259-F296 AromaticContact CD2-CD1 3.88Å; F259-F296 HydrophobicContact CD2-CD1 3.88Å; F259-F296 AromaticContact CD2-CE1 3.56Å; F259-F296 HydrophobicContact CD2-CE1 3.56Å; F259-F296 HydrophobicContact CD2-CZ 4.12Å; F259-F296 HydrophobicContact CE2-CE1 4.2Å; F259-F296 HydrophobicContact CE2-CZ 4.4Å; F259-F296 HydrophobicContact CG-CD1 4.18Å; F259-F296 HydrophobicContact CG-CE1 4.03Å; F259-W297 PolarHBondContact O-N 3.17Å; F259-L322 HydrophobicContact CD1-CB 4.17Å; F259-L322 HydrophobicContact CE1-CB 4.24Å; F259-L322 WeakPolarHBondContact CE1-O 3.36Å; F259-P324 HydrophobicContact CE1-CB 4.42Å; F259-L349 HydrophobicContact CE2-CD1 4.16Å; F259-L349 HydrophobicContact CE2-CD2 3.93Å; F259-L349 HydrophobicContact CZ-CD1 4.25Å
260	G	98.1	Very high	98.1	Very high	4 Å²	4	32.8 Å²	32.8	4%	0.041	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	178.6	176.1	0	0	0	0	0	113.3	L270 R300	G260-L270 WeakPolarHBondContact O-CD2 3.49Å; G260-R300 CarbonylContact C-O 3.53Å; G260-R300 WeakPolarHBondContact CA-O 3.49Å
261	N	97.9	Very high	98.1	Very high	27 Å²	27	34.7 Å²	34.7	14%	0.144	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	109.7	-175.1	-173.8	-2.1	0	0	0	112	F263 T267 L270 P298 R300 P301 V302	N261-F263 VanDerWaalsContact OD1-C 3.26Å; N261-F263 PolarHBondContact OD1-N 2.9Å; N261-F263 VanDerWaalsContact OD1-N 3.14Å; N261-F263 PolarHBondContact OD1-O 3.5Å; N261-F263 VanDerWaalsContact OD1-O 3.14Å; N261-T267 WeakPolarHBondContact ND2-CG2 3.29Å; N261-T267 PolarHBondContact ND2-OG1 3.5Å; N261-T267 PolarHBondContact OD1-OG1 2.81Å; N261-L270 HydrophobicContact CB-CD2 3.92Å; N261-P298 WeakPolarHBondContact CB-O 3.23Å; N261-P298 PolarHBondContact ND2-O 3.36Å; N261-R300 PolarHBondContact N-O 3.03Å; N261-P301 WeakPolarHBondContact O-CA 3.49Å; N261-V302 PolarHBondContact O-N 3.49Å
262	Q	97.5	Very high	98.1	Very high	20 Å²	20	37.4 Å²	37.4	9%	0.093	21%	0.214	C	C	.	.	S	Bend	trans	-93	-24.5	174.3	-64.1	-179.9	54.4	0	0	112.9	V302 H321 I323	Q262-V302 HydrophobicContact CG-CB 3.91Å; Q262-V302 HydrophobicContact CG-CG1 4.08Å; Q262-H321 VanDerWaalsContact NE2-CG 3.3Å; Q262-H321 PolarHBondContact NE2-ND1 3.35Å; Q262-H321 PolarHBondContact NE2-O 3.2Å; Q262-H321 PolarHBondContact OE1-ND1 3.49Å; Q262-I323 VanDerWaalsContact NE2-CG2 3.29Å
263	F	97.3	Very high	98.1	Very high	18 Å²	18	37.5 Å²	37.5	8%	0.079	21%	0.214	C	C	.	.			trans	-135.4	108.4	-170.3	-57.8	-66.7	0	0	0	111.8	N261 S265 T266 T267 H309 L313 I319 H321	N261-F263 VanDerWaalsContact OD1-C 3.26Å; N261-F263 PolarHBondContact OD1-N 2.9Å; N261-F263 VanDerWaalsContact OD1-N 3.14Å; N261-F263 PolarHBondContact OD1-O 3.5Å; N261-F263 VanDerWaalsContact OD1-O 3.14Å; F263-S265 PolarHBondContact O-N 2.95Å; F263-S265 VanDerWaalsContact O-N 3.14Å; F263-T266 WeakPolarHBondContact CB-OG1 3.24Å; F263-T266 PolarHBondContact O-N 3.39Å; F263-T266 VanDerWaalsContact O-N 3.16Å; F263-T266 PolarHBondContact O-OG1 3.41Å; F263-T267 PolarHBondContact O-N 3.13Å; F263-T267 PolarHBondContact O-OG1 3.09Å; F263-H309 AromaticContact CZ-CD2 3.7Å; F263-H309 AromaticContact CZ-NE2 3.55Å; F263-L313 HydrophobicContact CD1-CD1 4.27Å; F263-L313 HydrophobicContact CE1-CD1 3.91Å; F263-L313 HydrophobicContact CE1-CD2 3.56Å; F263-L313 HydrophobicContact CE1-CG 4.41Å; F263-L313 HydrophobicContact CZ-CD1 4.44Å; F263-L313 HydrophobicContact CZ-CD2 3.86Å; F263-I319 HydrophobicContact CD2-CB 3.88Å; F263-I319 HydrophobicContact CD2-CG2 4Å; F263-I319 WeakPolarHBondContact CD2-O 3.29Å; F263-I319 HydrophobicContact CE2-CB 3.77Å; F263-I319 HydrophobicContact CE2-CG2 3.56Å; F263-I319 HydrophobicContact CZ-CB 4.38Å; F263-I319 HydrophobicContact CZ-CG2 4.34Å; F263-H321 HydrophobicContact CE2-CB 3.92Å
264	P	96.1	Very high	98.1	Very high	114 Å²	114	38.5 Å²	38.5	74%	0.74	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-56.2	-31.6	176.1	-29.1	36.7	0	0	0	114.1	T266 T267	P264-T266 PolarHBondContact O-N 2.79Å; P264-T267 VanDerWaalsContact CA-OG1 3.31Å; P264-T267 WeakPolarHBondContact CA-OG1 3.19Å; P264-T267 PolarHBondContact O-N 3.22Å; P264-T267 PolarHBondContact O-OG1 3.23Å
265	S	96	Very high	98.1	Very high	75 Å²	75	40.9 Å²	40.9	52%	0.524	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-68.6	-15.1	-177.7	58.8	0	0	0	0	114.3	F263 R318	F263-S265 PolarHBondContact O-N 2.95Å; F263-S265 VanDerWaalsContact O-N 3.14Å; S265-R318 PolarHBondContact O-NH2 2.9Å
266	T	98	Very high	98.1	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.018	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-125.7	11	-179.3	53.9	0	0	0	0	112.7	L245 F263 P264 T268 W269 L270 R318 I319	L245-T266 HydrophobicContact CD1-CG2 3.67Å; F263-T266 WeakPolarHBondContact CB-OG1 3.24Å; F263-T266 PolarHBondContact O-N 3.39Å; F263-T266 VanDerWaalsContact O-N 3.16Å; F263-T266 PolarHBondContact O-OG1 3.41Å; P264-T266 PolarHBondContact O-N 2.79Å; T266-T268 PolarHBondContact O-N 3.34Å; T266-T268 VanDerWaalsContact O-N 3.14Å; T266-W269 WeakPolarHBondContact O-CB 3.46Å; T266-W269 PolarHBondContact O-N 3.18Å; T266-L270 PolarHBondContact O-N 3.27Å; T266-R318 HydrophobicContact CG2-CB 3.86Å; T266-I319 VanDerWaalsContact CB-O 3.31Å; T266-I319 WeakPolarHBondContact CB-O 3.43Å; T266-I319 VanDerWaalsContact CG2-O 3.28Å; T266-I319 WeakPolarHBondContact CG2-O 3.4Å; T266-I319 PolarHBondContact OG1-O 3.27Å
267	T	98.1	Very high	98.2	Very high	30 Å²	30	31.2 Å²	31.2	18%	0.184	18%	0.18	C	C	.	.	H	α-helix	trans	-53.3	-37.4	177.8	-56.9	0	0	0	0	112.6	N261 F263 P264 W269 L270 T271 P298	N261-T267 WeakPolarHBondContact ND2-CG2 3.29Å; N261-T267 PolarHBondContact ND2-OG1 3.5Å; N261-T267 PolarHBondContact OD1-OG1 2.81Å; F263-T267 PolarHBondContact O-N 3.13Å; F263-T267 PolarHBondContact O-OG1 3.09Å; P264-T267 VanDerWaalsContact CA-OG1 3.31Å; P264-T267 WeakPolarHBondContact CA-OG1 3.19Å; P264-T267 PolarHBondContact O-N 3.22Å; P264-T267 PolarHBondContact O-OG1 3.23Å; T267-W269 PolarHBondContact O-N 3.43Å; T267-W269 VanDerWaalsContact O-N 3.15Å; T267-L270 PolarHBondContact O-N 3.27Å; T267-T271 PolarHBondContact O-N 3.35Å; T267-T271 PolarHBondContact O-OG1 3.17Å; T267-T271 VanDerWaalsContact O-OG1 3.11Å; T267-P298 HydrophobicContact CG2-CB 4.03Å
268	T	98.2	Very high	98.2	Very high	99 Å²	99	34.3 Å²	34.3	61%	0.607	19%	0.192	S	C	*	.	H	α-helix	trans	-53.9	-34.8	175.1	-57.3	0	0	0	0	113.1	T266 R272	T266-T268 PolarHBondContact O-N 3.34Å; T266-T268 VanDerWaalsContact O-N 3.14Å; T268-R272 WeakPolarHBondContact O-CB 3.35Å; T268-R272 PolarHBondContact O-N 3.23Å
269	W	98.8	Very high	98.2	Very high	10 Å²	10	33.7 Å²	33.7	4%	0.038	19%	0.187	C	C	.	.	H	α-helix	trans	-78.8	-34	178.6	-59.8	124.6	0	0	0	112.4	H47 A49 L245 T266 T267 R272 L273 L320 F356 Y360	H47-W269 AromaticContact CD2-CH2 3.47Å; H47-W269 VanDerWaalsContact CD2-CH2 3.47Å; H47-W269 WeakPolarHBondContact CD2-CH2 3.41Å; H47-W269 AromaticContact CD2-CZ2 3.78Å; A49-W269 HydrophobicContact CB-CH2 4.31Å; A49-W269 HydrophobicContact CB-CZ3 3.84Å; L245-W269 HydrophobicContact CD2-CB 4.15Å; L245-W269 HydrophobicContact CD2-CD2 4.29Å; L245-W269 HydrophobicContact CD2-CG 3.8Å; T266-W269 WeakPolarHBondContact O-CB 3.46Å; T266-W269 PolarHBondContact O-N 3.18Å; T267-W269 PolarHBondContact O-N 3.43Å; T267-W269 VanDerWaalsContact O-N 3.15Å; W269-R272 HydrophobicContact CE3-CB 4.46Å; W269-R272 WeakPolarHBondContact O-CB 3.32Å; W269-R272 PolarHBondContact O-N 3.3Å; W269-L273 PolarHBondContact O-N 3.02Å; W269-L273 VanDerWaalsContact O-N 3.13Å; W269-L320 HydrophobicContact CB-CD2 3.91Å; W269-F356 HydrophobicContact CB-CE2 4.35Å; W269-F356 HydrophobicContact CB-CZ 4.43Å; W269-F356 HydrophobicContact CE3-CE2 4.07Å; W269-F356 HydrophobicContact CE3-CZ 4.33Å; W269-Y360 HydrophobicContact CD2-CD2 4.32Å; W269-Y360 AromaticContact CD2-CE2 3.99Å; W269-Y360 HydrophobicContact CD2-CE2 3.99Å; W269-Y360 AromaticContact CE2-CE2 3.66Å; W269-Y360 AromaticContact CE3-CD2 3.92Å; W269-Y360 HydrophobicContact CE3-CD2 3.92Å; W269-Y360 HydrophobicContact CE3-CE2 4.04Å; W269-Y360 AromaticContact CH2-CD2 3.73Å; W269-Y360 HydrophobicContact CH2-CD2 3.73Å; W269-Y360 AromaticContact CH2-CE2 3.54Å; W269-Y360 HydrophobicContact CH2-CE2 3.54Å; W269-Y360 HydrophobicContact CZ2-CD2 4.11Å; W269-Y360 AromaticContact CZ2-CE2 3.44Å; W269-Y360 HydrophobicContact CZ2-CE2 3.44Å; W269-Y360 VanDerWaalsContact CZ2-CE2 3.44Å; W269-Y360 AromaticContact CZ3-CD2 3.61Å; W269-Y360 HydrophobicContact CZ3-CD2 3.61Å; W269-Y360 AromaticContact CZ3-CE2 3.83Å; W269-Y360 HydrophobicContact CZ3-CE2 3.83Å
270	L	98.7	Very high	98.2	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-67.8	-39.3	170.3	-175.4	56.5	0	0	0	111.8	G260 N261 T266 T267 R272 L273 Q274 F296 P298 L320 L322	G260-L270 WeakPolarHBondContact O-CD2 3.49Å; N261-L270 HydrophobicContact CB-CD2 3.92Å; T266-L270 PolarHBondContact O-N 3.27Å; T267-L270 PolarHBondContact O-N 3.27Å; L270-R272 VanDerWaalsContact C-N 3.29Å; L270-R272 PolarHBondContact O-N 3.02Å; L270-L273 HydrophobicContact CD1-CD1 4.4Å; L270-L273 PolarHBondContact O-N 3.37Å; L270-Q274 PolarHBondContact O-N 3.22Å; L270-Q274 VanDerWaalsContact O-N 3.14Å; L270-F296 HydrophobicContact CD1-CB 4.12Å; L270-F296 HydrophobicContact CD1-CD1 3.7Å; L270-F296 HydrophobicContact CD1-CG 4.35Å; L270-P298 HydrophobicContact CB-CB 4.43Å; L270-P298 HydrophobicContact CD2-CB 4.33Å; L270-P298 HydrophobicContact CG-CB 4.14Å; L270-L320 HydrophobicContact CB-CD1 3.94Å; L270-L322 HydrophobicContact CD1-CD2 4.49Å
271	T	98.7	Very high	98.2	Very high	48 Å²	48	36 Å²	36	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-60.5	-39.9	170.8	-57.2	0	0	0	0	111.2	T267 L273 Q274 D275 P298	T267-T271 PolarHBondContact O-N 3.35Å; T267-T271 PolarHBondContact O-OG1 3.17Å; T267-T271 VanDerWaalsContact O-OG1 3.11Å; T271-L273 VanDerWaalsContact C-N 3.34Å; T271-L273 PolarHBondContact O-N 3.01Å; T271-Q274 WeakPolarHBondContact O-CB 3.45Å; T271-Q274 PolarHBondContact O-N 3.43Å; T271-D275 PolarHBondContact O-N 3.4Å; T271-P298 WeakPolarHBondContact OG1-CB 3.33Å
272	R	98.7	Very high	98.3	Very high	59 Å²	59	38.6 Å²	38.6	22%	0.223	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-42.7	175.9	-177.1	58.7	60.8	142.2	5.8	112.1	L50 T268 W269 L270 D275 I276 F356 E359	L50-R272 PolarHBondContact O-NH1 2.89Å; T268-R272 WeakPolarHBondContact O-CB 3.35Å; T268-R272 PolarHBondContact O-N 3.23Å; W269-R272 HydrophobicContact CE3-CB 4.46Å; W269-R272 WeakPolarHBondContact O-CB 3.32Å; W269-R272 PolarHBondContact O-N 3.3Å; L270-R272 VanDerWaalsContact C-N 3.29Å; L270-R272 PolarHBondContact O-N 3.02Å; R272-D275 PolarHBondContact O-N 2.68Å; R272-I276 HydrophobicContact CG-CD1 4.06Å; R272-I276 VanDerWaalsContact O-CG1 3.3Å; R272-I276 WeakPolarHBondContact O-CG1 3.44Å; R272-I276 PolarHBondContact O-N 3.39Å; R272-F356 HydrophobicContact CB-CE2 4.43Å; R272-F356 HydrophobicContact CG-CD2 4.08Å; R272-F356 HydrophobicContact CG-CE2 4.27Å; R272-E359 WeakPolarHBondContact CD-OE2 3.42Å; R272-E359 IonicContact NH1-OE2 2.66Å; R272-E359 PolarHBondContact NH1-OE2 3.46Å
273	L	98.9	Very high	98.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-61.3	-43.3	175.1	-71.1	167.7	0	0	0	111.8	W269 L270 T271 D275 I276 E277 F296 L320 L322 I352 F353 F356	W269-L273 PolarHBondContact O-N 3.02Å; W269-L273 VanDerWaalsContact O-N 3.13Å; L270-L273 HydrophobicContact CD1-CD1 4.4Å; L270-L273 PolarHBondContact O-N 3.37Å; T271-L273 VanDerWaalsContact C-N 3.34Å; T271-L273 PolarHBondContact O-N 3.01Å; L273-D275 VanDerWaalsContact C-N 3.35Å; L273-D275 PolarHBondContact O-N 2.8Å; L273-I276 PolarHBondContact O-N 2.89Å; L273-E277 WeakPolarHBondContact O-CB 3.4Å; L273-E277 PolarHBondContact O-N 2.88Å; L273-F296 HydrophobicContact CB-CB 4.39Å; L273-F296 HydrophobicContact CB-CD1 3.73Å; L273-F296 HydrophobicContact CB-CD2 3.93Å; L273-F296 HydrophobicContact CB-CE1 3.94Å; L273-F296 HydrophobicContact CB-CE2 4.16Å; L273-F296 HydrophobicContact CB-CG 3.72Å; L273-F296 HydrophobicContact CB-CZ 4.14Å; L273-F296 HydrophobicContact CD1-CD1 3.95Å; L273-F296 HydrophobicContact CD1-CE1 3.7Å; L273-F296 HydrophobicContact CD1-CZ 4.34Å; L273-F296 HydrophobicContact CD2-CZ 4.4Å; L273-F296 HydrophobicContact CG-CD1 4.44Å; L273-F296 HydrophobicContact CG-CE1 4.29Å; L273-L320 HydrophobicContact CD1-CD2 3.86Å; L273-L322 HydrophobicContact CD1-CD1 3.98Å; L273-L322 HydrophobicContact CD1-CD2 3.73Å; L273-I352 HydrophobicContact CD2-CG2 3.78Å; L273-F353 HydrophobicContact CD2-CD1 3.91Å; L273-F353 HydrophobicContact CD2-CE1 4.03Å; L273-F356 HydrophobicContact CD2-CB 3.78Å; L273-F356 HydrophobicContact CD2-CD2 3.64Å; L273-F356 HydrophobicContact CD2-CE2 4.38Å; L273-F356 HydrophobicContact CD2-CG 3.73Å; L273-F356 HydrophobicContact CG-CD2 3.92Å; L273-F356 HydrophobicContact CG-CE2 4.26Å; L273-F356 HydrophobicContact CG-CG 4.48Å
274	Q	98.9	Very high	98.3	Very high	21 Å²	21	44 Å²	44	10%	0.098	25%	0.246	C	C	.	.	H	α-helix	trans	-62.5	-40	174.5	-168.5	-171.1	77.1	0	0	112.3	L270 T271 I276 E277 K278 V293 F296	L270-Q274 PolarHBondContact O-N 3.22Å; L270-Q274 VanDerWaalsContact O-N 3.14Å; T271-Q274 WeakPolarHBondContact O-CB 3.45Å; T271-Q274 PolarHBondContact O-N 3.43Å; Q274-I276 VanDerWaalsContact C-N 3.33Å; Q274-I276 PolarHBondContact O-N 2.97Å; Q274-E277 WeakPolarHBondContact O-CB 3.29Å; Q274-E277 PolarHBondContact O-N 3.42Å; Q274-K278 WeakPolarHBondContact O-CG 3.19Å; Q274-K278 PolarHBondContact O-N 3.1Å; Q274-V293 HydrophobicContact CG-CG1 4Å; Q274-V293 HydrophobicContact CG-CG2 3.95Å; Q274-F296 HydrophobicContact CB-CB 3.9Å; Q274-F296 HydrophobicContact CG-CB 4.49Å; Q274-F296 WeakPolarHBondContact CG-O 3.34Å; Q274-F296 PolarHBondContact NE2-O 3.29Å
275	D	98.8	Very high	98.4	Very high	64 Å²	64	40.5 Å²	40.5	34%	0.342	22%	0.22	S	C	.	.	H	α-helix	trans	-67.1	-35.4	177.8	-73.4	-19.6	0	0	0	112.1	T271 R272 L273 K278 R279	T271-D275 PolarHBondContact O-N 3.4Å; R272-D275 PolarHBondContact O-N 2.68Å; L273-D275 VanDerWaalsContact C-N 3.35Å; L273-D275 PolarHBondContact O-N 2.8Å; D275-K278 IonicContact OD1-NZ 2.86Å; D275-R279 VanDerWaalsContact O-CD 3.32Å; D275-R279 WeakPolarHBondContact O-CD 3.34Å; D275-R279 VanDerWaalsContact O-CG 3.28Å; D275-R279 WeakPolarHBondContact O-CG 3.35Å; D275-R279 PolarHBondContact O-N 3.47Å; D275-R279 VanDerWaalsContact O-N 3.15Å
276	I	98.9	Very high	98.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-47.3	172.7	-69.2	164.4	0	0	0	110.4	R272 L273 Q274 K278 R279 L280 I352 V355 F356	R272-I276 HydrophobicContact CG-CD1 4.06Å; R272-I276 VanDerWaalsContact O-CG1 3.3Å; R272-I276 WeakPolarHBondContact O-CG1 3.44Å; R272-I276 PolarHBondContact O-N 3.39Å; L273-I276 PolarHBondContact O-N 2.89Å; Q274-I276 VanDerWaalsContact C-N 3.33Å; Q274-I276 PolarHBondContact O-N 2.97Å; I276-K278 PolarHBondContact O-N 3.15Å; I276-R279 PolarHBondContact O-N 3.25Å; I276-R279 VanDerWaalsContact O-N 3.14Å; I276-L280 HydrophobicContact CG2-CD1 3.86Å; I276-L280 HydrophobicContact CG2-CG 4.23Å; I276-L280 WeakPolarHBondContact O-CG 3.5Å; I276-L280 PolarHBondContact O-N 3.14Å; I276-I352 HydrophobicContact CB-CG2 4.4Å; I276-I352 HydrophobicContact CG2-CB 4.28Å; I276-I352 HydrophobicContact CG2-CG1 4.35Å; I276-I352 HydrophobicContact CG2-CG2 3.94Å; I276-V355 HydrophobicContact CB-CG1 4.43Å; I276-V355 HydrophobicContact CD1-CB 4.48Å; I276-V355 HydrophobicContact CD1-CG1 3.96Å; I276-V355 HydrophobicContact CG1-CG1 3.87Å; I276-V355 HydrophobicContact CG2-CB 3.78Å; I276-V355 HydrophobicContact CG2-CG1 3.71Å; I276-F356 HydrophobicContact CD1-CB 3.79Å; I276-F356 HydrophobicContact CD1-CD2 4.26Å
277	E	98.9	Very high	98.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-52.3	-51.2	174.8	179.2	-175.1	-162.2	0	0	111.4	L273 Q274 R279 L280 H281 L286 H289 Q294 Y295 F296 I352	L273-E277 WeakPolarHBondContact O-CB 3.4Å; L273-E277 PolarHBondContact O-N 2.88Å; Q274-E277 WeakPolarHBondContact O-CB 3.29Å; Q274-E277 PolarHBondContact O-N 3.42Å; E277-R279 VanDerWaalsContact C-N 3.33Å; E277-R279 PolarHBondContact O-N 3.24Å; E277-L280 PolarHBondContact O-N 2.86Å; E277-H281 WeakPolarHBondContact O-CB 3.42Å; E277-H281 PolarHBondContact O-N 3.27Å; E277-L286 HydrophobicContact CG-CD1 4.25Å; E277-H289 IonicContact OE1-CE1 2.7Å; E277-H289 IonicContact OE1-NE2 3.69Å; E277-H289 PolarHBondContact OE1-NE2 2.68Å; E277-Q294 WeakPolarHBondContact OE1-CA 3.28Å; E277-Q294 PolarHBondContact OE1-N 2.66Å; E277-Y295 HydrophobicContact CG-CD2 4.36Å; E277-Y295 WeakPolarHBondContact OE1-CD2 3.46Å; E277-Y295 PolarHBondContact OE1-N 3.21Å; E277-F296 HydrophobicContact CB-CD2 4.24Å; E277-F296 PolarHBondContact OE2-N 2.93Å; E277-I352 HydrophobicContact CB-CD1 3.99Å; E277-I352 HydrophobicContact CG-CD1 4.16Å
278	K	98.9	Very high	98.5	Very high	74 Å²	74	45.7 Å²	45.7	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-57.9	-42.6	177.2	-72.4	169.8	-172.5	159	0	112.7	Q274 D275 I276 S282 S292 V293	Q274-K278 WeakPolarHBondContact O-CG 3.19Å; Q274-K278 PolarHBondContact O-N 3.1Å; D275-K278 IonicContact OD1-NZ 2.86Å; I276-K278 PolarHBondContact O-N 3.15Å; K278-S282 PolarHBondContact O-N 3.12Å; K278-S282 PolarHBondContact O-OG 3.19Å; K278-S292 WeakPolarHBondContact CG-O 3.21Å; K278-V293 HydrophobicContact CD-CG2 4.13Å; K278-V293 HydrophobicContact CG-CG2 3.76Å
279	R	98.7	Very high	98.5	Very high	34 Å²	34	41.5 Å²	41.5	13%	0.128	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-46.4	179.3	-76.2	160.9	64.5	-156.5	2.9	111.5	L52 D275 I276 E277 H281 S282 M283 E359	L52-R279 PolarHBondContact O-NH2 2.86Å; D275-R279 VanDerWaalsContact O-CD 3.32Å; D275-R279 WeakPolarHBondContact O-CD 3.34Å; D275-R279 VanDerWaalsContact O-CG 3.28Å; D275-R279 WeakPolarHBondContact O-CG 3.35Å; D275-R279 PolarHBondContact O-N 3.47Å; D275-R279 VanDerWaalsContact O-N 3.15Å; I276-R279 PolarHBondContact O-N 3.25Å; I276-R279 VanDerWaalsContact O-N 3.14Å; E277-R279 VanDerWaalsContact C-N 3.33Å; E277-R279 PolarHBondContact O-N 3.24Å; R279-H281 VanDerWaalsContact C-N 3.3Å; R279-H281 PolarHBondContact O-N 2.98Å; R279-S282 PolarHBondContact O-N 3.47Å; R279-S282 PolarHBondContact O-OG 3.37Å; R279-M283 WeakPolarHBondContact O-CB 3.36Å; R279-M283 WeakPolarHBondContact O-CG 3.25Å; R279-M283 PolarHBondContact O-N 3.22Å; R279-E359 IonicContact CZ-OE1 3.28Å; R279-E359 VanDerWaalsContact CZ-OE1 3.28Å; R279-E359 IonicContact NH1-OE1 2.69Å; R279-E359 PolarHBondContact NH1-OE1 3.44Å; R279-E359 IonicContact NH1-OE2 3.49Å; R279-E359 PolarHBondContact NH1-OE2 2.93Å; R279-E359 IonicContact NH2-OE1 2.88Å; R279-E359 PolarHBondContact NH2-OE1 2.83Å
280	L	98.8	Very high	98.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-38.7	177.5	-69	178.9	0	0	0	111.4	I57 L61 I276 E277 M283 N284 Q285 L286 K351 I352 V355	I57-L280 HydrophobicContact CG2-CD2 3.49Å; I57-L280 VanDerWaalsContact CG2-CD2 3.49Å; L61-L280 HydrophobicContact CD1-CD2 3.71Å; I276-L280 HydrophobicContact CG2-CD1 3.86Å; I276-L280 HydrophobicContact CG2-CG 4.23Å; I276-L280 WeakPolarHBondContact O-CG 3.5Å; I276-L280 PolarHBondContact O-N 3.14Å; E277-L280 PolarHBondContact O-N 2.86Å; L280-M283 PolarHBondContact O-N 2.71Å; L280-N284 PolarHBondContact O-N 3.39Å; L280-Q285 HydrophobicContact CB-CB 4.22Å; L280-Q285 HydrophobicContact CD2-CB 3.93Å; L280-Q285 HydrophobicContact CD2-CG 4.27Å; L280-Q285 PolarHBondContact O-N 2.95Å; L280-L286 HydrophobicContact CB-CD1 4.11Å; L280-L286 HydrophobicContact CB-CD2 3.72Å; L280-L286 HydrophobicContact CB-CG 3.74Å; L280-L286 HydrophobicContact CD1-CD2 4.07Å; L280-K351 HydrophobicContact CD1-CB 3.98Å; L280-I352 HydrophobicContact CD1-CB 4.41Å; L280-I352 HydrophobicContact CD1-CG1 3.65Å; L280-V355 HydrophobicContact CD2-CG2 4.46Å
281	H	98.7	Very high	98.4	Very high	54 Å²	54	50.3 Å²	50.3	25%	0.25	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-50.9	171.5	176.8	78.9	0	0	0	111.6	E277 R279 M283 N284 L286 H289 N291 S292	E277-H281 WeakPolarHBondContact O-CB 3.42Å; E277-H281 PolarHBondContact O-N 3.27Å; R279-H281 VanDerWaalsContact C-N 3.3Å; R279-H281 PolarHBondContact O-N 2.98Å; H281-M283 PolarHBondContact O-N 2.95Å; H281-N284 PolarHBondContact O-N 3.02Å; H281-L286 HydrophobicContact CB-CD1 4.17Å; H281-H289 PolarHBondContact CE1-O 2.97Å; H281-H289 AromaticContact CG-ND1 3.79Å; H281-H289 AromaticContact ND1-ND1 3.2Å; H281-H289 PolarHBondContact ND1-ND1 3.44Å; H281-H289 PolarHBondContact ND1-O 2.93Å; H281-H289 VanDerWaalsContact ND1-O 3.1Å; H281-N291 PolarHBondContact ND1-O 3.39Å; H281-S292 VanDerWaalsContact CD2-CA 3.47Å; H281-S292 WeakPolarHBondContact CD2-CA 3.24Å
282	S	98.5	Very high	98.3	Very high	80 Å²	80	51 Å²	51	56%	0.559	27%	0.272	S	S	*	.	H	α-helix	trans	-62.9	-26.5	179.2	61.2	0	0	0	0	113.7	K278 R279 N284	K278-S282 PolarHBondContact O-N 3.12Å; K278-S282 PolarHBondContact O-OG 3.19Å; R279-S282 PolarHBondContact O-N 3.47Å; R279-S282 PolarHBondContact O-OG 3.37Å; S282-N284 VanDerWaalsContact C-N 3.28Å
283	M	98.2	Very high	98.2	Very high	9 Å²	9	49.3 Å²	49.3	4%	0.044	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	4.2	176.5	-66.4	171	64.1	0	0	113.6	E54 I57 R58 R279 L280 H281 Q285	E54-M283 HydrophobicContact CB-CE 3.77Å; E54-M283 HydrophobicContact CB-SD 4.2Å; E54-M283 HydrophobicContact CG-CE 4.11Å; E54-M283 HydrophobicContact CG-CG 4.18Å; E54-M283 HydrophobicContact CG-SD 3.86Å; E54-M283 WeakPolarHBondContact O-CE 3.33Å; I57-M283 HydrophobicContact CB-CE 3.91Å; I57-M283 HydrophobicContact CB-SD 4.38Å; I57-M283 HydrophobicContact CD1-SD 3.92Å; I57-M283 HydrophobicContact CG2-CE 3.61Å; I57-M283 HydrophobicContact CG2-SD 4.04Å; R58-M283 HydrophobicContact CG-CE 4.05Å; R279-M283 WeakPolarHBondContact O-CB 3.36Å; R279-M283 WeakPolarHBondContact O-CG 3.25Å; R279-M283 PolarHBondContact O-N 3.22Å; L280-M283 PolarHBondContact O-N 2.71Å; H281-M283 PolarHBondContact O-N 2.95Å; M283-Q285 HydrophobicContact CB-CG 3.76Å; M283-Q285 HydrophobicContact CE-CG 4.32Å; M283-Q285 PolarHBondContact O-N 3.22Å; M283-Q285 PolarHBondContact O-NE2 3.18Å; M283-Q285 VanDerWaalsContact O-NE2 3.11Å
284	N	98.1	Very high	98.1	Very high	142 Å²	142	50.6 Å²	50.6	76%	0.759	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	38	-172.3	-58.7	-59.4	0	0	0	112.7	L280 H281 S282	L280-N284 PolarHBondContact O-N 3.39Å; H281-N284 PolarHBondContact O-N 3.02Å; S282-N284 VanDerWaalsContact C-N 3.28Å
285	Q	98.2	Very high	98.1	Very high	41 Å²	41	49.8 Å²	49.8	19%	0.192	27%	0.27	C	S	.	.			trans	-95.5	-7.8	177.8	-63.2	-54.4	-58.3	0	0	113	L61 L280 M283 K351	L61-Q285 HydrophobicContact CD1-CB 4.21Å; L61-Q285 HydrophobicContact CD1-CG 4.27Å; L280-Q285 HydrophobicContact CB-CB 4.22Å; L280-Q285 HydrophobicContact CD2-CB 3.93Å; L280-Q285 HydrophobicContact CD2-CG 4.27Å; L280-Q285 PolarHBondContact O-N 2.95Å; M283-Q285 HydrophobicContact CB-CG 3.76Å; M283-Q285 HydrophobicContact CE-CG 4.32Å; M283-Q285 PolarHBondContact O-N 3.22Å; M283-Q285 PolarHBondContact O-NE2 3.18Å; M283-Q285 VanDerWaalsContact O-NE2 3.11Å; Q285-K351 WeakPolarHBondContact O-CD 3.49Å; Q285-K351 PolarHBondContact O-NZ 3.24Å
286	L	98.4	Very high	98.1	Very high	20 Å²	20	46.8 Å²	46.8	11%	0.105	25%	0.253	C	S	.	.	S	Bend	trans	-103.6	141.9	176.3	-55.2	-175.6	0	0	0	110.6	E277 L280 H281 H289 N348 I352	E277-L286 HydrophobicContact CG-CD1 4.25Å; L280-L286 HydrophobicContact CB-CD1 4.11Å; L280-L286 HydrophobicContact CB-CD2 3.72Å; L280-L286 HydrophobicContact CB-CG 3.74Å; L280-L286 HydrophobicContact CD1-CD2 4.07Å; H281-L286 HydrophobicContact CB-CD1 4.17Å; L286-H289 HydrophobicContact CB-CB 3.71Å; L286-H289 HydrophobicContact CD1-CB 4.46Å; L286-N348 VanDerWaalsContact CA-OD1 3.27Å; L286-N348 WeakPolarHBondContact CA-OD1 3.38Å; L286-N348 HydrophobicContact CD2-CB 3.9Å; L286-I352 HydrophobicContact CD2-CG1 4.48Å
287	V	97.8	Very high	98.1	Very high	51 Å²	51	51.6 Å²	51.6	31%	0.309	27%	0.272	S	S	.	.	S	Bend	trans	-102.5	143.8	179.4	-66.2	0	0	0	0	110.4	H289 Q347 N348	V287-H289 PolarHBondContact O-N 3.26Å; V287-Q347 HydrophobicContact CG2-CB 4.47Å; V287-N348 WeakPolarHBondContact CG2-OD1 3.39Å; V287-N348 PolarHBondContact N-OD1 3.16Å; V287-N348 PolarHBondContact O-ND2 3Å
288	E	97.5	Very high	98.1	Very high	147 Å²	147	51.8 Å²	51.8	69%	0.687	27%	0.273	S	S	*	.	S	Bend	trans	50.7	34.2	179.1	-60.1	-177.8	164.9	0	0	114	P290 S344	E288-P290 VanDerWaalsContact C-CD 3.41Å; E288-P290 WeakPolarHBondContact O-CD 3.33Å; E288-S344 VanDerWaalsContact OE2-CB 3.26Å; E288-S344 WeakPolarHBondContact OE2-CB 3.24Å; E288-S344 PolarHBondContact OE2-OG 3.05Å
289	H	98.3	Very high	98	Very high	11 Å²	11	55.4 Å²	55.4	5%	0.051	30%	0.296	C	S	.	.			trans	-115.6	75.3	-174.3	-170.8	-87.6	0	0	0	111	E277 H281 L286 V287 N291 Q294 Y295	E277-H289 IonicContact OE1-CE1 2.7Å; E277-H289 IonicContact OE1-NE2 3.69Å; E277-H289 PolarHBondContact OE1-NE2 2.68Å; H281-H289 PolarHBondContact CE1-O 2.97Å; H281-H289 AromaticContact CG-ND1 3.79Å; H281-H289 AromaticContact ND1-ND1 3.2Å; H281-H289 PolarHBondContact ND1-ND1 3.44Å; H281-H289 PolarHBondContact ND1-O 2.93Å; H281-H289 VanDerWaalsContact ND1-O 3.1Å; L286-H289 HydrophobicContact CB-CB 3.71Å; L286-H289 HydrophobicContact CD1-CB 4.46Å; V287-H289 PolarHBondContact O-N 3.26Å; H289-N291 VanDerWaalsContact C-N 3.33Å; H289-N291 PolarHBondContact CE1-O 3.26Å; H289-N291 PolarHBondContact ND1-O 3.34Å; H289-N291 PolarHBondContact O-N 2.96Å; H289-Q294 PolarHBondContact CD2-OE1 3.12Å; H289-Y295 AromaticContact CD2-CE2 3.45Å; H289-Y295 VanDerWaalsContact CD2-CE2 3.45Å; H289-Y295 WeakPolarHBondContact CD2-CE2 3.38Å; H289-Y295 AromaticContact CD2-CZ 3.6Å; H289-Y295 AromaticContact NE2-CE2 3.7Å
290	P	96.9	Very high	98	Very high	100 Å²	100	58 Å²	58	65%	0.649	31%	0.306	S	S	*	.			trans	-67.8	-22.4	-169.5	23.7	-37.1	0	0	0	115.8	E288	E288-P290 VanDerWaalsContact C-CD 3.41Å; E288-P290 WeakPolarHBondContact O-CD 3.33Å
291	N	97.4	Very high	97.8	Very high	100 Å²	100	63.4 Å²	63.4	54%	0.535	34%	0.341	S	S	.	.	S	Bend	trans	-109.5	155.9	179.6	-61.5	-53.4	0	0	0	110.1	H281 H289 V293 Q294	H281-N291 PolarHBondContact ND1-O 3.39Å; H289-N291 VanDerWaalsContact C-N 3.33Å; H289-N291 PolarHBondContact CE1-O 3.26Å; H289-N291 PolarHBondContact ND1-O 3.34Å; H289-N291 PolarHBondContact O-N 2.96Å; N291-V293 WeakPolarHBondContact CB-O 3.37Å; N291-V293 PolarHBondContact O-N 3.41Å; N291-Q294 HydrophobicContact CB-CG 4.07Å
292	S	96.6	Very high	97.7	Very high	63 Å²	63	61.8 Å²	61.8	44%	0.441	33%	0.334	S	S	.	.	S	Bend	trans	-69.6	-15.6	177.1	59	0	0	0	0	114.3	K278 H281	K278-S292 WeakPolarHBondContact CG-O 3.21Å; H281-S292 VanDerWaalsContact CD2-CA 3.47Å; H281-S292 WeakPolarHBondContact CD2-CA 3.24Å
293	V	97.8	Very high	97.4	Very high	22 Å²	22	60.5 Å²	60.5	13%	0.133	33%	0.334	C	S	.	.			trans	-138.9	127.6	174.3	-179.9	0	0	0	0	108.1	Q274 K278 N291 W297	Q274-V293 HydrophobicContact CG-CG1 4Å; Q274-V293 HydrophobicContact CG-CG2 3.95Å; K278-V293 HydrophobicContact CD-CG2 4.13Å; K278-V293 HydrophobicContact CG-CG2 3.76Å; N291-V293 WeakPolarHBondContact CB-O 3.37Å; N291-V293 PolarHBondContact O-N 3.41Å; V293-W297 HydrophobicContact CG1-CD2 4.35Å; V293-W297 HydrophobicContact CG1-CE3 4.45Å; V293-W297 HydrophobicContact CG1-CH2 4.04Å; V293-W297 HydrophobicContact CG1-CZ2 3.92Å; V293-W297 HydrophobicContact CG1-CZ3 4.3Å
294	Q	97.1	Very high	97	Very high	29 Å²	29	70.2 Å²	70.2	14%	0.136	37%	0.37	C	S	.	.	S	Bend	trans	-134.3	-43.3	175.6	-64.1	-162.4	-46.6	0	0	112	E277 H289 N291 W297	E277-Q294 WeakPolarHBondContact OE1-CA 3.28Å; E277-Q294 PolarHBondContact OE1-N 2.66Å; H289-Q294 PolarHBondContact CD2-OE1 3.12Å; N291-Q294 HydrophobicContact CB-CG 4.07Å; Q294-W297 PolarHBondContact O-NE1 3.12Å
295	Y	98.7	Very high	96.9	Very high	4 Å²	4	64.6 Å²	64.6	2%	0.016	34%	0.34	C	S	.	.	S	Bend	trans	-94.7	-47.2	-166.8	-49.5	-48.5	0	0	0	113.2	P257 F259 E277 H289 T345 N348 L349 I352	P257-Y295 HydrophobicContact CG-CD1 3.95Å; P257-Y295 HydrophobicContact CG-CE1 4.38Å; P257-Y295 WeakPolarHBondContact O-CA 3.13Å; F259-Y295 PolarHBondContact N-O 2.95Å; E277-Y295 HydrophobicContact CG-CD2 4.36Å; E277-Y295 WeakPolarHBondContact OE1-CD2 3.46Å; E277-Y295 PolarHBondContact OE1-N 3.21Å; H289-Y295 AromaticContact CD2-CE2 3.45Å; H289-Y295 VanDerWaalsContact CD2-CE2 3.45Å; H289-Y295 WeakPolarHBondContact CD2-CE2 3.38Å; H289-Y295 AromaticContact CD2-CZ 3.6Å; H289-Y295 AromaticContact NE2-CE2 3.7Å; Y295-T345 HydrophobicContact CE1-CG2 4.28Å; Y295-N348 HydrophobicContact CE2-CB 3.84Å; Y295-N348 PolarHBondContact OH-ND2 3.29Å; Y295-L349 HydrophobicContact CD2-CD2 4.04Å; Y295-L349 HydrophobicContact CG-CD2 4.19Å; Y295-I352 HydrophobicContact CD2-CD1 3.94Å; Y295-I352 HydrophobicContact CE2-CD1 4.27Å
296	F	98.8	Very high	96.9	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.7	-168.1	-58	-76.2	0	0	0	112.6	F259 L270 L273 Q274 E277 L322 L349 I352 F353	F259-F296 HydrophobicContact CB-CD1 3.86Å; F259-F296 HydrophobicContact CB-CE1 4.2Å; F259-F296 AromaticContact CD2-CD1 3.88Å; F259-F296 HydrophobicContact CD2-CD1 3.88Å; F259-F296 AromaticContact CD2-CE1 3.56Å; F259-F296 HydrophobicContact CD2-CE1 3.56Å; F259-F296 HydrophobicContact CD2-CZ 4.12Å; F259-F296 HydrophobicContact CE2-CE1 4.2Å; F259-F296 HydrophobicContact CE2-CZ 4.4Å; F259-F296 HydrophobicContact CG-CD1 4.18Å; F259-F296 HydrophobicContact CG-CE1 4.03Å; L270-F296 HydrophobicContact CD1-CB 4.12Å; L270-F296 HydrophobicContact CD1-CD1 3.7Å; L270-F296 HydrophobicContact CD1-CG 4.35Å; L273-F296 HydrophobicContact CB-CB 4.39Å; L273-F296 HydrophobicContact CB-CD1 3.73Å; L273-F296 HydrophobicContact CB-CD2 3.93Å; L273-F296 HydrophobicContact CB-CE1 3.94Å; L273-F296 HydrophobicContact CB-CE2 4.16Å; L273-F296 HydrophobicContact CB-CG 3.72Å; L273-F296 HydrophobicContact CB-CZ 4.14Å; L273-F296 HydrophobicContact CD1-CD1 3.95Å; L273-F296 HydrophobicContact CD1-CE1 3.7Å; L273-F296 HydrophobicContact CD1-CZ 4.34Å; L273-F296 HydrophobicContact CD2-CZ 4.4Å; L273-F296 HydrophobicContact CG-CD1 4.44Å; L273-F296 HydrophobicContact CG-CE1 4.29Å; Q274-F296 HydrophobicContact CB-CB 3.9Å; Q274-F296 HydrophobicContact CG-CB 4.49Å; Q274-F296 WeakPolarHBondContact CG-O 3.34Å; Q274-F296 PolarHBondContact NE2-O 3.29Å; E277-F296 HydrophobicContact CB-CD2 4.24Å; E277-F296 PolarHBondContact OE2-N 2.93Å; F296-L322 HydrophobicContact CE1-CD2 4.27Å; F296-L349 HydrophobicContact CE2-CD2 4.04Å; F296-L349 HydrophobicContact CZ-CD2 3.71Å; F296-I352 HydrophobicContact CE2-CD1 3.86Å; F296-I352 HydrophobicContact CE2-CG2 3.75Å; F296-I352 HydrophobicContact CZ-CG2 4.12Å; F296-F353 HydrophobicContact CE1-CE1 4.31Å; F296-F353 AromaticContact CZ-CE1 3.92Å; F296-F353 HydrophobicContact CZ-CE1 3.92Å; F296-F353 HydrophobicContact CZ-CZ 4.48Å
297	W	98.5	Very high	96.9	Very high	102 Å²	102	66.4 Å²	66.4	39%	0.386	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	78.5	-173.7	-61.9	88	0	0	0	111.5	I258 F259 V293 Q294 D299 R300	I258-W297 HydrophobicContact CG2-CG 4.15Å; F259-W297 PolarHBondContact O-N 3.17Å; V293-W297 HydrophobicContact CG1-CD2 4.35Å; V293-W297 HydrophobicContact CG1-CE3 4.45Å; V293-W297 HydrophobicContact CG1-CH2 4.04Å; V293-W297 HydrophobicContact CG1-CZ2 3.92Å; V293-W297 HydrophobicContact CG1-CZ3 4.3Å; Q294-W297 PolarHBondContact O-NE1 3.12Å; W297-D299 PolarHBondContact O-N 3.41Å; W297-D299 VanDerWaalsContact O-N 3.17Å; W297-R300 HydrophobicContact CB-CB 3.7Å; W297-R300 PolarHBondContact O-N 2.8Å
298	P	98.1	Very high	97	Very high	5 Å²	5	64 Å²	64	3%	0.032	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	-24.8	-177.7	25.9	-34.9	0	0	0	114	N261 T267 L270 T271	N261-P298 WeakPolarHBondContact CB-O 3.23Å; N261-P298 PolarHBondContact ND2-O 3.36Å; T267-P298 HydrophobicContact CG2-CB 4.03Å; L270-P298 HydrophobicContact CB-CB 4.43Å; L270-P298 HydrophobicContact CD2-CB 4.33Å; L270-P298 HydrophobicContact CG-CB 4.14Å; T271-P298 WeakPolarHBondContact OG1-CB 3.33Å
299	D	97.4	Very high	97	Very high	149 Å²	149	57 Å²	57	80%	0.797	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	0.2	178.6	-58.3	-45.8	0	0	0	113.4	W297 P301	W297-D299 PolarHBondContact O-N 3.41Å; W297-D299 VanDerWaalsContact O-N 3.17Å; D299-P301 VanDerWaalsContact O-CD 3.3Å; D299-P301 WeakPolarHBondContact O-CD 3.33Å
300	R	97.3	Very high	97.1	Very high	89 Å²	89	58 Å²	58	34%	0.336	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	103.1	177.8	-178.2	176.5	175.5	179.4	-8.7	109.5	I258 G260 N261 W297 Y325	I258-R300 VanDerWaalsContact CD1-NH1 3.26Å; G260-R300 CarbonylContact C-O 3.53Å; G260-R300 WeakPolarHBondContact CA-O 3.49Å; N261-R300 PolarHBondContact N-O 3.03Å; W297-R300 HydrophobicContact CB-CB 3.7Å; W297-R300 PolarHBondContact O-N 2.8Å; R300-Y325 PolarHBondContact NH2-O 3.3Å
301	P	96.4	Very high	97.2	Very high	114 Å²	114	53.5 Å²	53.5	74%	0.74	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	140.1	176.7	-18.4	33	0	0	0	111	N261 D299	N261-P301 WeakPolarHBondContact O-CA 3.49Å; D299-P301 VanDerWaalsContact O-CD 3.3Å; D299-P301 WeakPolarHBondContact O-CD 3.33Å
302	V	95.4	Very high	97.2	Very high	19 Å²	19	48.8 Å²	48.8	12%	0.115	25%	0.254	C	S	.	.			trans	-122.1	143.6	172.5	177.5	0	0	0	0	108.3	N261 Q262 I305 Y325	N261-V302 PolarHBondContact O-N 3.49Å; Q262-V302 HydrophobicContact CG-CB 3.91Å; Q262-V302 HydrophobicContact CG-CG1 4.08Å; V302-I305 HydrophobicContact CG1-CD1 3.99Å; V302-Y325 HydrophobicContact CG1-CD1 4.42Å; V302-Y325 HydrophobicContact CG1-CD2 4.41Å; V302-Y325 HydrophobicContact CG1-CG 3.97Å
303	G	91.5	Very high	97.3	Very high	54 Å²	54	47.7 Å²	47.7	56%	0.557	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-61	165.4	175.3	0	0	0	0	0	111.8	I305	G303-I305 PolarHBondContact O-N 3.07Å
304	R	90.1	Very high	97.4	Very high	212 Å²	212	52.5 Å²	52.5	80%	0.8	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-69.6	119.5	174.5	-68.2	-175.3	178.9	-167.6	-1.2	109.5
305	I	96.8	Very high	97.4	Very high	24 Å²	24	55 Å²	55	12%	0.123	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-97.1	137.7	171.7	-65.1	159.2	0	0	0	107.3	V302 G303 H309 I323 F327	V302-I305 HydrophobicContact CG1-CD1 3.99Å; G303-I305 PolarHBondContact O-N 3.07Å; I305-H309 PolarHBondContact O-CE1 3.14Å; I305-I323 HydrophobicContact CD1-CG2 3.6Å; I305-I323 HydrophobicContact CG2-CD1 4.07Å; I305-F327 HydrophobicContact CD1-CE1 3.89Å; I305-F327 HydrophobicContact CD1-CZ 4.29Å; I305-F327 HydrophobicContact CG1-CE1 4.48Å; I305-F327 HydrophobicContact CG1-CZ 4.4Å; I305-F327 HydrophobicContact CG2-CE1 4.44Å; I305-F327 HydrophobicContact CG2-CZ 3.88Å
306	L	98.2	Very high	97.4	Very high	99 Å²	99	57.6 Å²	57.6	52%	0.518	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-86	130.1	173.4	-59.2	178.6	0	0	0	108.1	W209 I310	W209-L306 HydrophobicContact CZ2-CB 3.71Å; L306-I310 HydrophobicContact CD2-CD1 3.97Å; L306-I310 HydrophobicContact CD2-CG1 4.07Å
307	D	98.8	Very high	97.4	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	31%	0.306	C	S	.	.	S	Bend	trans	-168.8	178.7	-176.6	-176.7	10.6	0	0	0	107.7	L215 L248 H309 I310 H321	L215-D307 WeakPolarHBondContact CD1-O 3.32Å; L215-D307 VanDerWaalsContact CD2-C 3.47Å; L248-D307 HydrophobicContact CD2-CB 4.34Å; L248-D307 WeakPolarHBondContact CD2-OD2 3.35Å; D307-H309 PolarHBondContact O-N 3.1Å; D307-I310 WeakPolarHBondContact O-CB 3.03Å; D307-I310 VanDerWaalsContact O-CG1 3.24Å; D307-I310 WeakPolarHBondContact O-CG1 3.47Å; D307-I310 PolarHBondContact O-N 3.38Å; D307-H321 IonicContact OD2-CD2 3.85Å; D307-H321 IonicContact OD2-CE1 2.72Å; D307-H321 IonicContact OD2-NE2 3.69Å; D307-H321 PolarHBondContact OD2-NE2 2.69Å
308	D	98.9	Very high	97.4	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-18.9	-174.1	-84.6	-31.8	0	0	0	115.1	F200 S218 L248 I310 P311 F312	F200-D308 WeakPolarHBondContact CB-OD2 3.41Å; F200-D308 HydrophobicContact CD2-CB 3.66Å; F200-D308 WeakPolarHBondContact CD2-OD2 3.48Å; F200-D308 HydrophobicContact CE2-CB 3.83Å; F200-D308 HydrophobicContact CG-CB 4.32Å; F200-D308 WeakPolarHBondContact CG-OD2 3.47Å; S218-D308 WeakPolarHBondContact CB-O 3.13Å; S218-D308 WeakPolarHBondContact CB-OD1 3.04Å; S218-D308 PolarHBondContact OG-OD1 2.54Å; L248-D308 HydrophobicContact CD1-CB 4.31Å; L248-D308 HydrophobicContact CD2-CB 3.96Å; D308-I310 VanDerWaalsContact C-N 3.26Å; D308-I310 PolarHBondContact O-N 2.78Å; D308-P311 WeakPolarHBondContact O-CD 3.4Å; D308-F312 WeakPolarHBondContact O-CD2 3.2Å
309	H	98.8	Very high	97.4	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-20.1	174.7	68.6	-78.6	0	0	0	112.9	L246 L248 F263 I305 D307 F312 L313 I319 H321	L246-H309 HydrophobicContact CD2-CB 4.29Å; L248-H309 HydrophobicContact CD2-CB 3.62Å; L248-H309 VanDerWaalsContact CD2-N 3.26Å; F263-H309 AromaticContact CZ-CD2 3.7Å; F263-H309 AromaticContact CZ-NE2 3.55Å; I305-H309 PolarHBondContact O-CE1 3.14Å; D307-H309 PolarHBondContact O-N 3.1Å; H309-F312 PolarHBondContact O-N 3.09Å; H309-L313 WeakPolarHBondContact O-CB 3.48Å; H309-L313 PolarHBondContact O-N 2.83Å; H309-I319 HydrophobicContact CB-CD1 4Å; H309-I319 HydrophobicContact CB-CG1 4.16Å; H309-I319 HydrophobicContact CB-CG2 3.61Å; H309-H321 AromaticContact CE1-CE1 3.42Å; H309-H321 PolarHBondContact CE1-CE1 2.98Å; H309-H321 VanDerWaalsContact CE1-CE1 3.42Å; H309-H321 AromaticContact CE1-ND1 3.22Å; H309-H321 PolarHBondContact CE1-ND1 2.99Å; H309-H321 AromaticContact ND1-CE1 3.6Å; H309-H321 AromaticContact ND1-CG 3.94Å; H309-H321 AromaticContact ND1-ND1 3.52Å; H309-H321 AromaticContact NE2-ND1 3.92Å
310	I	98.8	Very high	97.5	Very high	30 Å²	30	48 Å²	48	15%	0.154	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-47.4	-171.7	-67.5	-68.4	0	0	0	112.7	L215 L306 D307 D308 F312 L313 N314	L215-I310 HydrophobicContact CD1-CB 4.23Å; L306-I310 HydrophobicContact CD2-CD1 3.97Å; L306-I310 HydrophobicContact CD2-CG1 4.07Å; D307-I310 WeakPolarHBondContact O-CB 3.03Å; D307-I310 VanDerWaalsContact O-CG1 3.24Å; D307-I310 WeakPolarHBondContact O-CG1 3.47Å; D307-I310 PolarHBondContact O-N 3.38Å; D308-I310 VanDerWaalsContact C-N 3.26Å; D308-I310 PolarHBondContact O-N 2.78Å; I310-F312 PolarHBondContact O-N 3.26Å; I310-L313 HydrophobicContact CD1-CD2 4.34Å; I310-L313 PolarHBondContact O-N 2.62Å; I310-N314 WeakPolarHBondContact O-CB 3.23Å; I310-N314 VanDerWaalsContact O-CG 3.23Å; I310-N314 PolarHBondContact O-N 2.87Å; I310-N314 PolarHBondContact O-ND2 3.01Å
311	P	98.9	Very high	97.6	Very high	7 Å²	7	44 Å²	44	5%	0.045	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-31.4	177.5	-26.1	38.1	0	0	0	113.9	R219 A222 D308 R315	R219-P311 HydrophobicContact CB-CG 4.32Å; R219-P311 HydrophobicContact CG-CB 4.43Å; R219-P311 HydrophobicContact CG-CG 3.64Å; A222-P311 HydrophobicContact CB-CB 3.6Å; D308-P311 WeakPolarHBondContact O-CD 3.4Å; P311-R315 WeakPolarHBondContact O-CG 3.35Å; P311-R315 PolarHBondContact O-NH1 3.13Å
312	F	98.9	Very high	97.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-79.8	-43.9	177.6	-64.1	-89.5	0	0	0	111.8	F200 L221 A222 M225 L240 M243 L246 D308 H309 I310 N314 R315 G316 V317 I319	F200-F312 AromaticContact CE1-CE2 3.69Å; F200-F312 HydrophobicContact CE1-CE2 3.69Å; F200-F312 AromaticContact CE1-CZ 3.8Å; F200-F312 HydrophobicContact CE1-CZ 3.8Å; F200-F312 HydrophobicContact CE2-CE2 4.46Å; F200-F312 HydrophobicContact CZ-CD2 4.41Å; F200-F312 AromaticContact CZ-CE2 3.4Å; F200-F312 HydrophobicContact CZ-CE2 3.4Å; F200-F312 VanDerWaalsContact CZ-CE2 3.4Å; F200-F312 AromaticContact CZ-CZ 3.7Å; F200-F312 HydrophobicContact CZ-CZ 3.7Å; L221-F312 HydrophobicContact CB-CZ 4.45Å; L221-F312 HydrophobicContact CG-CZ 4.46Å; A222-F312 HydrophobicContact CB-CD1 4.04Å; A222-F312 HydrophobicContact CB-CD2 4.17Å; A222-F312 HydrophobicContact CB-CE1 3.91Å; A222-F312 HydrophobicContact CB-CE2 4.04Å; A222-F312 HydrophobicContact CB-CG 4.17Å; A222-F312 HydrophobicContact CB-CZ 3.91Å; M225-F312 HydrophobicContact SD-CE1 3.76Å; M225-F312 HydrophobicContact SD-CZ 4.38Å; L240-F312 HydrophobicContact CD2-CD1 3.76Å; L240-F312 HydrophobicContact CD2-CE1 3.99Å; M243-F312 HydrophobicContact CE-CD1 3.74Å; M243-F312 HydrophobicContact CE-CE1 3.87Å; M243-F312 HydrophobicContact SD-CD1 3.62Å; M243-F312 HydrophobicContact SD-CE1 3.84Å; L246-F312 HydrophobicContact CD2-CB 3.94Å; L246-F312 HydrophobicContact CD2-CD1 4.5Å; L246-F312 HydrophobicContact CD2-CD2 3.88Å; L246-F312 HydrophobicContact CD2-CG 3.85Å; D308-F312 WeakPolarHBondContact O-CD2 3.2Å; H309-F312 PolarHBondContact O-N 3.09Å; I310-F312 PolarHBondContact O-N 3.26Å; F312-N314 VanDerWaalsContact C-N 3.3Å; F312-N314 PolarHBondContact O-N 2.94Å; F312-R315 CarbonylContact O-C 3.55Å; F312-R315 WeakPolarHBondContact O-CA 3.07Å; F312-R315 PolarHBondContact O-N 3.22Å; F312-G316 PolarHBondContact O-N 3.25Å; F312-V317 HydrophobicContact CB-CB 3.91Å; F312-V317 HydrophobicContact CB-CG1 4.36Å; F312-V317 HydrophobicContact CB-CG2 4.01Å; F312-V317 HydrophobicContact CD1-CG2 4.36Å; F312-V317 WeakPolarHBondContact O-CB 3.29Å; F312-V317 WeakPolarHBondContact O-CG2 3.4Å; F312-V317 PolarHBondContact O-N 3.03Å; F312-V317 VanDerWaalsContact O-N 3.09Å; F312-I319 HydrophobicContact CB-CD1 4.29Å
313	L	98.6	Very high	97.8	Very high	41 Å²	41	38 Å²	38	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-56.2	-45.8	175.9	178.2	67.3	0	0	0	111.1	F263 H309 I310 R315 G316 I319	F263-L313 HydrophobicContact CD1-CD1 4.27Å; F263-L313 HydrophobicContact CE1-CD1 3.91Å; F263-L313 HydrophobicContact CE1-CD2 3.56Å; F263-L313 HydrophobicContact CE1-CG 4.41Å; F263-L313 HydrophobicContact CZ-CD1 4.44Å; F263-L313 HydrophobicContact CZ-CD2 3.86Å; H309-L313 WeakPolarHBondContact O-CB 3.48Å; H309-L313 PolarHBondContact O-N 2.83Å; I310-L313 HydrophobicContact CD1-CD2 4.34Å; I310-L313 PolarHBondContact O-N 2.62Å; L313-R315 PolarHBondContact O-N 3.42Å; L313-R315 VanDerWaalsContact O-N 3.16Å; L313-G316 PolarHBondContact O-N 2.7Å; L313-I319 HydrophobicContact CB-CD1 4.41Å; L313-I319 HydrophobicContact CB-CG1 3.88Å; L313-I319 HydrophobicContact CD1-CG1 3.79Å; L313-I319 HydrophobicContact CG-CG1 4.38Å
314	N	98.5	Very high	98.2	Very high	122 Å²	122	35.5 Å²	35.5	65%	0.652	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.7	179.7	-70.9	-19.4	0	0	0	113	I310 F312	I310-N314 WeakPolarHBondContact O-CB 3.23Å; I310-N314 VanDerWaalsContact O-CG 3.23Å; I310-N314 PolarHBondContact O-N 2.87Å; I310-N314 PolarHBondContact O-ND2 3.01Å; F312-N314 VanDerWaalsContact C-N 3.3Å; F312-N314 PolarHBondContact O-N 2.94Å
315	R	98.6	Very high	98.5	Very high	82 Å²	82	31.2 Å²	31.2	31%	0.309	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	12.4	176	-65	177.1	172.5	85.6	-7.2	113.2	E226 L240 P311 F312 L313	E226-R315 IonicContact OE1-NE 2.86Å; E226-R315 IonicContact OE2-CZ 3.41Å; E226-R315 IonicContact OE2-NE 2.96Å; E226-R315 PolarHBondContact OE2-NE 3.46Å; E226-R315 IonicContact OE2-NH2 2.93Å; L240-R315 HydrophobicContact CD1-CB 3.68Å; L240-R315 VanDerWaalsContact CD1-CD 3.43Å; L240-R315 HydrophobicContact CD1-CG 4.18Å; P311-R315 WeakPolarHBondContact O-CG 3.35Å; P311-R315 PolarHBondContact O-NH1 3.13Å; F312-R315 CarbonylContact O-C 3.55Å; F312-R315 WeakPolarHBondContact O-CA 3.07Å; F312-R315 PolarHBondContact O-N 3.22Å; L313-R315 PolarHBondContact O-N 3.42Å; L313-R315 VanDerWaalsContact O-N 3.16Å
316	G	98.1	Very high	98.6	Very high	59 Å²	59	34.3 Å²	34.3	61%	0.608	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.3	8.4	172.6	0	0	0	0	0	115.6	F312 L313	F312-G316 PolarHBondContact O-N 3.25Å; L313-G316 PolarHBondContact O-N 2.7Å
317	V	98.8	Very high	98.6	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.03	17%	0.173	C	C	.	.			trans	-68.2	139.9	173.2	-178.2	0	0	0	0	109.8	L240 M243 L246 F312 I319	L240-V317 HydrophobicContact CB-CG2 4.25Å; L240-V317 HydrophobicContact CD2-CG2 4.15Å; M243-V317 HydrophobicContact CB-CG1 3.91Å; M243-V317 HydrophobicContact CB-CG2 4.42Å; M243-V317 HydrophobicContact CE-CG1 4.27Å; M243-V317 HydrophobicContact SD-CG1 4.2Å; M243-V317 HydrophobicContact SD-CG2 4.01Å; L246-V317 HydrophobicContact CB-CG1 4Å; F312-V317 HydrophobicContact CB-CB 3.91Å; F312-V317 HydrophobicContact CB-CG1 4.36Å; F312-V317 HydrophobicContact CB-CG2 4.01Å; F312-V317 HydrophobicContact CD1-CG2 4.36Å; F312-V317 WeakPolarHBondContact O-CB 3.29Å; F312-V317 WeakPolarHBondContact O-CG2 3.4Å; F312-V317 PolarHBondContact O-N 3.03Å; F312-V317 VanDerWaalsContact O-N 3.09Å; V317-I319 HydrophobicContact CB-CD1 4.26Å; V317-I319 HydrophobicContact CG1-CD1 4.08Å
318	R	98.6	Very high	98.6	Very high	42 Å²	42	33.2 Å²	33.2	16%	0.158	18%	0.177	C	C	.	.			trans	-78.4	127.7	176.6	-61.8	-179.2	71.8	175.9	3.2	109.2	K44 L245 L246 S265 T266	K44-R318 PolarHBondContact O-NH1 3.47Å; L245-R318 HydrophobicContact CD1-CB 4.1Å; L246-R318 PolarHBondContact N-O 3.43Å; S265-R318 PolarHBondContact O-NH2 2.9Å; T266-R318 HydrophobicContact CG2-CB 3.86Å
319	I	98.8	Very high	98.6	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.7	-174	-51.1	-53.1	0	0	0	111	L246 F263 T266 H309 F312 L313 V317 H321	L246-I319 HydrophobicContact CB-CD1 3.83Å; L246-I319 HydrophobicContact CD2-CD1 3.87Å; L246-I319 HydrophobicContact CG-CD1 4.24Å; L246-I319 WeakPolarHBondContact O-CA 3.17Å; F263-I319 HydrophobicContact CD2-CB 3.88Å; F263-I319 HydrophobicContact CD2-CG2 4Å; F263-I319 WeakPolarHBondContact CD2-O 3.29Å; F263-I319 HydrophobicContact CE2-CB 3.77Å; F263-I319 HydrophobicContact CE2-CG2 3.56Å; F263-I319 HydrophobicContact CZ-CB 4.38Å; F263-I319 HydrophobicContact CZ-CG2 4.34Å; T266-I319 VanDerWaalsContact CB-O 3.31Å; T266-I319 WeakPolarHBondContact CB-O 3.43Å; T266-I319 VanDerWaalsContact CG2-O 3.28Å; T266-I319 WeakPolarHBondContact CG2-O 3.4Å; T266-I319 PolarHBondContact OG1-O 3.27Å; H309-I319 HydrophobicContact CB-CD1 4Å; H309-I319 HydrophobicContact CB-CG1 4.16Å; H309-I319 HydrophobicContact CB-CG2 3.61Å; F312-I319 HydrophobicContact CB-CD1 4.29Å; L313-I319 HydrophobicContact CB-CD1 4.41Å; L313-I319 HydrophobicContact CB-CG1 3.88Å; L313-I319 HydrophobicContact CD1-CG1 3.79Å; L313-I319 HydrophobicContact CG-CG1 4.38Å; V317-I319 HydrophobicContact CB-CD1 4.26Å; V317-I319 HydrophobicContact CG1-CD1 4.08Å; I319-H321 HydrophobicContact CG2-CB 3.95Å
320	L	98.8	Very high	98.5	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	98.6	160.4	178.1	62.7	0	0	0	107.6	L245 L246 V247 L248 W269 L270 L273 L322 F356	L245-L320 HydrophobicContact CD1-CB 4.02Å; L245-L320 HydrophobicContact CD2-CB 4.21Å; L245-L320 HydrophobicContact CD2-CD2 4.29Å; L245-L320 HydrophobicContact CG-CB 4.27Å; L246-L320 PolarHBondContact O-N 2.93Å; V247-L320 VanDerWaalsContact CA-O 3.32Å; V247-L320 WeakPolarHBondContact CA-O 3.44Å; V247-L320 HydrophobicContact CG1-CD2 4.19Å; V247-L320 HydrophobicContact CG1-CG 4.44Å; V247-L320 HydrophobicContact CG2-CB 4.31Å; V247-L320 HydrophobicContact CG2-CD2 4.19Å; L248-L320 PolarHBondContact N-O 2.91Å; W269-L320 HydrophobicContact CB-CD2 3.91Å; L270-L320 HydrophobicContact CB-CD1 3.94Å; L273-L320 HydrophobicContact CD1-CD2 3.86Å; L320-L322 HydrophobicContact CD1-CD2 4.08Å; L320-L322 HydrophobicContact CD2-CD2 4.39Å; L320-L322 HydrophobicContact CG-CD2 3.89Å; L320-L322 HydrophobicContact CG-CG 4.23Å; L320-F356 HydrophobicContact CD2-CZ 4.12Å
321	H	98.8	Very high	98.5	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.028	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	106.7	-174.4	-173.4	-169.4	0	0	0	110.1	Q262 F263 D307 H309 I319 I323	Q262-H321 VanDerWaalsContact NE2-CG 3.3Å; Q262-H321 PolarHBondContact NE2-ND1 3.35Å; Q262-H321 PolarHBondContact NE2-O 3.2Å; Q262-H321 PolarHBondContact OE1-ND1 3.49Å; F263-H321 HydrophobicContact CE2-CB 3.92Å; D307-H321 IonicContact OD2-CD2 3.85Å; D307-H321 IonicContact OD2-CE1 2.72Å; D307-H321 IonicContact OD2-NE2 3.69Å; D307-H321 PolarHBondContact OD2-NE2 2.69Å; H309-H321 AromaticContact CE1-CE1 3.42Å; H309-H321 PolarHBondContact CE1-CE1 2.98Å; H309-H321 VanDerWaalsContact CE1-CE1 3.42Å; H309-H321 AromaticContact CE1-ND1 3.22Å; H309-H321 PolarHBondContact CE1-ND1 2.99Å; H309-H321 AromaticContact ND1-CE1 3.6Å; H309-H321 AromaticContact ND1-CG 3.94Å; H309-H321 AromaticContact ND1-ND1 3.52Å; H309-H321 AromaticContact NE2-ND1 3.92Å; I319-H321 HydrophobicContact CG2-CB 3.95Å; H321-I323 WeakPolarHBondContact CE1-CG2 3.33Å; H321-I323 WeakPolarHBondContact NE2-CB 3.29Å; H321-I323 WeakPolarHBondContact NE2-CG2 3.39Å; H321-I323 PolarHBondContact O-N 2.73Å
322	L	98.9	Very high	98.4	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	69.8	-178.2	-56.9	-174.5	0	0	0	110.2	V247 L248 D250 F259 L270 L273 F296 L320 F353	V247-L322 HydrophobicContact CG1-CD1 3.59Å; V247-L322 HydrophobicContact CG1-CG 4.07Å; L248-L322 WeakPolarHBondContact O-CA 3.46Å; L248-L322 WeakPolarHBondContact O-CB 3.3Å; L248-L322 PolarHBondContact O-N 3.32Å; D250-L322 PolarHBondContact N-O 3.36Å; F259-L322 HydrophobicContact CD1-CB 4.17Å; F259-L322 HydrophobicContact CE1-CB 4.24Å; F259-L322 WeakPolarHBondContact CE1-O 3.36Å; L270-L322 HydrophobicContact CD1-CD2 4.49Å; L273-L322 HydrophobicContact CD1-CD1 3.98Å; L273-L322 HydrophobicContact CD1-CD2 3.73Å; F296-L322 HydrophobicContact CE1-CD2 4.27Å; L320-L322 HydrophobicContact CD1-CD2 4.08Å; L320-L322 HydrophobicContact CD2-CD2 4.39Å; L320-L322 HydrophobicContact CG-CD2 3.89Å; L320-L322 HydrophobicContact CG-CG 4.23Å; L322-F353 HydrophobicContact CD1-CD1 4.39Å; L322-F353 HydrophobicContact CD1-CE1 3.42Å; L322-F353 VanDerWaalsContact CD1-CE1 3.42Å; L322-F353 HydrophobicContact CD1-CE2 4.49Å; L322-F353 HydrophobicContact CD1-CZ 3.48Å; L322-F353 VanDerWaalsContact CD1-CZ 3.48Å
323	I	98.8	Very high	98.4	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	26%	0.255	C	S	.	.			trans	-116.2	132.7	169.2	-166.4	174.9	0	0	0	108.6	D250 L251 Q262 I305 H321 F327	D250-I323 HydrophobicContact CB-CB 4.37Å; D250-I323 HydrophobicContact CB-CD1 4.21Å; D250-I323 HydrophobicContact CB-CG1 4.19Å; D250-I323 WeakPolarHBondContact O-CA 3.43Å; D250-I323 VanDerWaalsContact OD2-CD1 3.22Å; D250-I323 WeakPolarHBondContact OD2-CD1 3.45Å; L251-I323 HydrophobicContact CB-CG1 4.12Å; L251-I323 HydrophobicContact CD1-CD1 3.86Å; L251-I323 HydrophobicContact CD1-CG1 4.07Å; L251-I323 HydrophobicContact CG-CD1 4.04Å; L251-I323 HydrophobicContact CG-CG1 4.05Å; Q262-I323 VanDerWaalsContact NE2-CG2 3.29Å; I305-I323 HydrophobicContact CD1-CG2 3.6Å; I305-I323 HydrophobicContact CG2-CD1 4.07Å; H321-I323 WeakPolarHBondContact CE1-CG2 3.33Å; H321-I323 WeakPolarHBondContact NE2-CB 3.29Å; H321-I323 WeakPolarHBondContact NE2-CG2 3.39Å; H321-I323 PolarHBondContact O-N 2.73Å; I323-F327 HydrophobicContact CD1-CD1 4.26Å; I323-F327 HydrophobicContact CD1-CE1 3.47Å; I323-F327 VanDerWaalsContact CD1-CE1 3.47Å; I323-F327 HydrophobicContact CD1-CZ 3.77Å; I323-F327 HydrophobicContact CG1-CD1 4.33Å; I323-F327 HydrophobicContact CG1-CE1 3.88Å
324	P	98.6	Very high	98.3	Very high	3 Å²	3	47 Å²	47	2%	0.019	25%	0.252	C	S	.	.			trans	-67.6	149.3	178.2	28.3	-35.2	0	0	0	111.5	D250 L251 P257 I258 F259 P326 F327 P328	D250-P324 WeakPolarHBondContact O-CD 3.12Å; L251-P324 HydrophobicContact CB-CG 4.19Å; L251-P324 VanDerWaalsContact O-CG 3.29Å; L251-P324 WeakPolarHBondContact O-CG 3.47Å; P257-P324 HydrophobicContact CB-CB 3.86Å; P257-P324 HydrophobicContact CB-CG 4.48Å; I258-P324 CarbonylContact O-C 3.46Å; I258-P324 VanDerWaalsContact O-CA 3.3Å; I258-P324 WeakPolarHBondContact O-CA 3.4Å; F259-P324 HydrophobicContact CE1-CB 4.42Å; P324-P326 CarbonylContact C-O 3.31Å; P324-F327 VanDerWaalsContact O-CD1 3.25Å; P324-F327 WeakPolarHBondContact O-CD1 3.5Å; P324-P328 HydrophobicContact CG-CG 4.5Å
325	Y	97.1	Very high	98.2	Very high	122 Å²	122	45.9 Å²	45.9	48%	0.478	25%	0.246	S	C	.	.	S	Bend	trans	-133.7	119	166.7	-174.3	-95.7	0	0	0	111.1	I258 R300 V302	I258-Y325 PolarHBondContact O-N 2.93Å; R300-Y325 PolarHBondContact NH2-O 3.3Å; V302-Y325 HydrophobicContact CG1-CD1 4.42Å; V302-Y325 HydrophobicContact CG1-CD2 4.41Å; V302-Y325 HydrophobicContact CG1-CG 3.97Å
326	P	98	Very high	98.2	Very high	89 Å²	89	42 Å²	42	58%	0.578	23%	0.231	S	C	*	.	S	Bend	cis	-67.2	161.7	3.7	31	-37.3	0	0	0	113.7	P324	P324-P326 CarbonylContact C-O 3.31Å
327	F	98.6	Very high	98.2	Very high	64 Å²	64	40.8 Å²	40.8	28%	0.281	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-62.3	158	172.2	-65.4	-10.6	0	0	0	111.2	L251 I305 I323 P324 S329 W331	L251-F327 HydrophobicContact CD1-CB 3.93Å; L251-F327 HydrophobicContact CD1-CD1 3.65Å; L251-F327 HydrophobicContact CD1-CD2 3.73Å; L251-F327 HydrophobicContact CD1-CE1 4.02Å; L251-F327 HydrophobicContact CD1-CE2 4.08Å; L251-F327 HydrophobicContact CD1-CG 3.51Å; L251-F327 HydrophobicContact CD1-CZ 4.22Å; I305-F327 HydrophobicContact CD1-CE1 3.89Å; I305-F327 HydrophobicContact CD1-CZ 4.29Å; I305-F327 HydrophobicContact CG1-CE1 4.48Å; I305-F327 HydrophobicContact CG1-CZ 4.4Å; I305-F327 HydrophobicContact CG2-CE1 4.44Å; I305-F327 HydrophobicContact CG2-CZ 3.88Å; I323-F327 HydrophobicContact CD1-CD1 4.26Å; I323-F327 HydrophobicContact CD1-CE1 3.47Å; I323-F327 VanDerWaalsContact CD1-CE1 3.47Å; I323-F327 HydrophobicContact CD1-CZ 3.77Å; I323-F327 HydrophobicContact CG1-CD1 4.33Å; I323-F327 HydrophobicContact CG1-CE1 3.88Å; P324-F327 VanDerWaalsContact O-CD1 3.25Å; P324-F327 WeakPolarHBondContact O-CD1 3.5Å; F327-S329 PolarHBondContact O-N 2.81Å; F327-W331 HydrophobicContact CB-CB 4.24Å; F327-W331 HydrophobicContact CB-CG 4.31Å; F327-W331 AromaticContact CD2-CD2 3.87Å; F327-W331 HydrophobicContact CD2-CD2 3.87Å; F327-W331 AromaticContact CD2-CE2 3.9Å; F327-W331 HydrophobicContact CD2-CE3 4.29Å; F327-W331 HydrophobicContact CD2-CG 4.17Å; F327-W331 HydrophobicContact CD2-CZ2 4.31Å; F327-W331 HydrophobicContact CE2-CZ2 4.27Å
328	P	98.7	Very high	98.2	Very high	13 Å²	13	43.1 Å²	43.1	8%	0.084	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-48.1	140.1	171.5	-30.1	38.5	0	0	0	111.8	L251 A254 P324 V330 W331	L251-P328 HydrophobicContact CB-CG 4.04Å; L251-P328 WeakPolarHBondContact O-CG 3.27Å; A254-P328 HydrophobicContact CB-CB 3.7Å; A254-P328 HydrophobicContact CB-CG 3.84Å; P324-P328 HydrophobicContact CG-CG 4.5Å; P328-V330 HydrophobicContact CB-CG2 3.99Å; P328-V330 PolarHBondContact O-N 3.42Å; P328-W331 WeakPolarHBondContact O-CB 3.46Å; P328-W331 PolarHBondContact O-N 3.13Å
329	S	98.3	Very high	98.2	Very high	122 Å²	122	49.6 Å²	49.6	85%	0.853	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.9	178.2	55.4	0	0	0	0	113.6	F327	F327-S329 PolarHBondContact O-N 2.81Å
330	V	98.4	Very high	98.2	Very high	19 Å²	19	53 Å²	53	12%	0.115	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-3.4	177.7	-62.6	0	0	0	0	113.4	P328 H332 T333 D335 D336 N340	P328-V330 HydrophobicContact CB-CG2 3.99Å; P328-V330 PolarHBondContact O-N 3.42Å; V330-H332 PolarHBondContact O-N 2.9Å; V330-T333 WeakPolarHBondContact CA-OG1 3.26Å; V330-T333 WeakPolarHBondContact O-CB 3.33Å; V330-T333 PolarHBondContact O-N 3.23Å; V330-T333 PolarHBondContact O-OG1 3.46Å; V330-D335 HydrophobicContact CB-CB 4.35Å; V330-D335 HydrophobicContact CG1-CB 3.91Å; V330-D336 HydrophobicContact CB-CB 4.18Å; V330-D336 HydrophobicContact CG2-CB 3.97Å; V330-N340 HydrophobicContact CG1-CB 4.31Å
331	W	98.4	Very high	98.2	Very high	102 Å²	102	53.6 Å²	53.6	39%	0.386	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	129.3	-177	176.6	71.6	0	0	0	112.2	L251 F327 P328 T333	L251-W331 HydrophobicContact CD1-CG 4.25Å; F327-W331 HydrophobicContact CB-CB 4.24Å; F327-W331 HydrophobicContact CB-CG 4.31Å; F327-W331 AromaticContact CD2-CD2 3.87Å; F327-W331 HydrophobicContact CD2-CD2 3.87Å; F327-W331 AromaticContact CD2-CE2 3.9Å; F327-W331 HydrophobicContact CD2-CE3 4.29Å; F327-W331 HydrophobicContact CD2-CG 4.17Å; F327-W331 HydrophobicContact CD2-CZ2 4.31Å; F327-W331 HydrophobicContact CE2-CZ2 4.27Å; P328-W331 WeakPolarHBondContact O-CB 3.46Å; P328-W331 PolarHBondContact O-N 3.13Å; W331-T333 PolarHBondContact O-N 3.32Å
332	H	96.9	Very high	98.2	Very high	44 Å²	44	55.1 Å²	55.1	20%	0.204	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	29.6	-176	-68.9	-166.4	0	0	0	114.4	F150 D164 E204 V330	F150-H332 WeakPolarHBondContact CZ-O 3.41Å; D164-H332 IonicContact OD2-CD2 3.66Å; D164-H332 PolarHBondContact OD2-CD2 3.41Å; D164-H332 VanDerWaalsContact OD2-CD2 3.26Å; D164-H332 IonicContact OD2-NE2 3.06Å; D164-H332 PolarHBondContact OD2-NE2 3.1Å; E204-H332 IonicContact OE1-CD2 3.3Å; E204-H332 IonicContact OE1-CE1 3.55Å; E204-H332 PolarHBondContact OE1-CE1 3.47Å; E204-H332 IonicContact OE1-NE2 2.69Å; E204-H332 PolarHBondContact OE1-NE2 2.79Å; E204-H332 IonicContact OE2-CE1 3.69Å; E204-H332 IonicContact OE2-NE2 2.73Å; V330-H332 PolarHBondContact O-N 2.9Å
333	T	97.1	Very high	98.1	Very high	48 Å²	48	60.2 Å²	60.2	29%	0.294	30%	0.302	S	S	.	.	S	Bend	trans	-119.2	158.7	171.1	78.5	0	0	0	0	110.9	F159 V330 W331 D335 D336	F159-T333 WeakPolarHBondContact CD2-O 3.41Å; F159-T333 WeakPolarHBondContact CE2-O 3.14Å; V330-T333 WeakPolarHBondContact CA-OG1 3.26Å; V330-T333 WeakPolarHBondContact O-CB 3.33Å; V330-T333 PolarHBondContact O-N 3.23Å; V330-T333 PolarHBondContact O-OG1 3.46Å; W331-T333 PolarHBondContact O-N 3.32Å; T333-D335 PolarHBondContact O-N 2.86Å; T333-D335 VanDerWaalsContact O-N 3.12Å; T333-D335 PolarHBondContact OG1-N 2.98Å; T333-D336 WeakPolarHBondContact O-CB 3.42Å; T333-D336 PolarHBondContact O-N 3.37Å
334	F	96.8	Very high	98.1	Very high	33 Å²	33	61 Å²	61	15%	0.145	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-6.7	174.8	-61.7	-83.2	0	0	0	113.5	F150 W154 R157 F159 D336 N337	F150-F334 HydrophobicContact CB-CE1 4.38Å; F150-F334 HydrophobicContact CB-CZ 4.05Å; F150-F334 HydrophobicContact CD1-CE2 4.2Å; F150-F334 AromaticContact CD1-CZ 3.77Å; F150-F334 HydrophobicContact CD1-CZ 3.77Å; F150-F334 HydrophobicContact CE1-CE2 4.43Å; F150-F334 HydrophobicContact CE1-CZ 4.37Å; F150-F334 HydrophobicContact CG-CE1 4.28Å; F150-F334 AromaticContact CG-CZ 3.85Å; F150-F334 HydrophobicContact CG-CZ 3.85Å; W154-F334 HydrophobicContact CB-CE2 4.48Å; W154-F334 HydrophobicContact CB-CZ 3.81Å; W154-F334 HydrophobicContact CD2-CE2 4.16Å; W154-F334 HydrophobicContact CD2-CZ 4.26Å; W154-F334 HydrophobicContact CE3-CE2 4.17Å; W154-F334 HydrophobicContact CG-CE2 4.36Å; W154-F334 AromaticContact CG-CZ 3.97Å; W154-F334 HydrophobicContact CG-CZ 3.97Å; R157-F334 HydrophobicContact CB-CD1 3.55Å; R157-F334 HydrophobicContact CB-CD2 4.49Å; R157-F334 HydrophobicContact CB-CE1 3.51Å; R157-F334 HydrophobicContact CB-CE2 4.49Å; R157-F334 HydrophobicContact CB-CG 4.05Å; R157-F334 HydrophobicContact CB-CZ 4.02Å; R157-F334 VanDerWaalsContact CZ-CE2 3.41Å; R157-F334 VanDerWaalsContact NH2-CD2 3.31Å; F159-F334 HydrophobicContact CB-CD1 4.16Å; F159-F334 HydrophobicContact CB-CE1 4Å; F334-D336 VanDerWaalsContact C-N 3.27Å; F334-N337 PolarHBondContact O-ND2 3.26Å
335	D	97.4	Very high	98.1	Very high	98 Å²	98	61 Å²	61	52%	0.524	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-5.7	171.6	-64.2	-34.9	0	0	0	111.9	V330 T333 N337 N340	V330-D335 HydrophobicContact CB-CB 4.35Å; V330-D335 HydrophobicContact CG1-CB 3.91Å; T333-D335 PolarHBondContact O-N 2.86Å; T333-D335 VanDerWaalsContact O-N 3.12Å; T333-D335 PolarHBondContact OG1-N 2.98Å; D335-N337 WeakPolarHBondContact CA-ND2 3.25Å; D335-N337 PolarHBondContact O-N 2.99Å; D335-N337 PolarHBondContact O-ND2 3.43Å; D335-N340 WeakPolarHBondContact O-CB 3.49Å; D335-N340 PolarHBondContact O-ND2 3.03Å
336	D	98.5	Very high	98.2	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.011	29%	0.285	C	S	.	.			trans	-76.5	75.7	168.2	-169.4	11	0	0	0	110.9	F159 G161 A162 T163 D164 V330 T333 F334	F159-D336 HydrophobicContact CE2-CB 3.98Å; G161-D336 WeakPolarHBondContact CA-OD2 3.45Å; A162-D336 WeakPolarHBondContact CB-OD1 3.41Å; A162-D336 PolarHBondContact N-O 3.2Å; A162-D336 PolarHBondContact N-OD1 3.32Å; A162-D336 PolarHBondContact N-OD2 3.24Å; T163-D336 WeakPolarHBondContact CG2-OD1 3.46Å; T163-D336 PolarHBondContact N-OD1 2.78Å; T163-D336 PolarHBondContact N-OD2 3.04Å; T163-D336 VanDerWaalsContact OG1-CG 3.3Å; T163-D336 PolarHBondContact OG1-OD1 3.43Å; T163-D336 VanDerWaalsContact OG1-OD1 3.13Å; T163-D336 PolarHBondContact OG1-OD2 2.87Å; D164-D336 WeakPolarHBondContact CB-OD2 3.28Å; V330-D336 HydrophobicContact CB-CB 4.18Å; V330-D336 HydrophobicContact CG2-CB 3.97Å; T333-D336 WeakPolarHBondContact O-CB 3.42Å; T333-D336 PolarHBondContact O-N 3.37Å; F334-D336 VanDerWaalsContact C-N 3.27Å
337	N	98.2	Very high	98.2	Very high	32 Å²	32	53.5 Å²	53.5	17%	0.171	27%	0.27	C	S	.	.	S	Bend	trans	-138	175.2	-170.9	63.3	42.2	0	0	0	111.5	F334 D335 E339 N340	F334-N337 PolarHBondContact O-ND2 3.26Å; D335-N337 WeakPolarHBondContact CA-ND2 3.25Å; D335-N337 PolarHBondContact O-N 2.99Å; D335-N337 PolarHBondContact O-ND2 3.43Å; N337-E339 PolarHBondContact O-N 2.65Å; N337-E339 WeakPolarHBondContact OD1-CB 3.21Å; N337-E339 PolarHBondContact OD1-N 3.43Å; N337-E339 VanDerWaalsContact OD1-N 3.1Å; N337-N340 PolarHBondContact O-N 3.43Å; N337-N340 PolarHBondContact OD1-N 2.98Å; N337-N340 PolarHBondContact OD1-ND2 2.87Å
338	E	98.5	Very high	98.3	Very high	54 Å²	54	50.5 Å²	50.5	25%	0.252	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-55.6	-33.9	-177.2	-161.9	177.9	155.5	0	0	113.6	W70 R75 L78 N340 L341	W70-E338 HydrophobicContact CZ2-CG 3.75Å; W70-E338 PolarHBondContact NE1-OE1 3.48Å; R75-E338 IonicContact CZ-OE1 2.73Å; R75-E338 IonicContact NE-OE1 3.69Å; R75-E338 PolarHBondContact NE-OE1 3.06Å; R75-E338 IonicContact NE-OE2 3.36Å; R75-E338 IonicContact NH2-OE1 3.7Å; R75-E338 PolarHBondContact NH2-OE1 3.41Å; L78-E338 HydrophobicContact CD1-CB 3.74Å; L78-E338 HydrophobicContact CD1-CG 3.77Å; E338-N340 VanDerWaalsContact C-N 3.34Å; E338-N340 PolarHBondContact O-N 3.03Å; E338-L341 PolarHBondContact O-N 2.83Å
339	E	98.1	Very high	98.3	Very high	178 Å²	178	49.9 Å²	49.9	83%	0.832	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-72.3	-29.3	-172.7	-59.9	-174.9	171.3	0	0	112.5	N337	N337-E339 PolarHBondContact O-N 2.65Å; N337-E339 WeakPolarHBondContact OD1-CB 3.21Å; N337-E339 PolarHBondContact OD1-N 3.43Å; N337-E339 VanDerWaalsContact OD1-N 3.1Å
340	N	98.4	Very high	98.3	Very high	73 Å²	73	44.1 Å²	44.1	39%	0.39	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-93.6	5.2	-178.5	-70.3	-51.3	0	0	0	113.7	V330 D335 N337 E338	V330-N340 HydrophobicContact CG1-CB 4.31Å; D335-N340 WeakPolarHBondContact O-CB 3.49Å; D335-N340 PolarHBondContact O-ND2 3.03Å; N337-N340 PolarHBondContact O-N 3.43Å; N337-N340 PolarHBondContact OD1-N 2.98Å; N337-N340 PolarHBondContact OD1-ND2 2.87Å; E338-N340 VanDerWaalsContact C-N 3.34Å; E338-N340 PolarHBondContact O-N 3.03Å
341	L	98.8	Very high	98.3	Very high	18 Å²	18	44.3 Å²	44.3	9%	0.094	21%	0.211	C	C	.	.			trans	-78.4	138.4	174.6	-65.4	-178.1	0	0	0	112.1	W70 L74 A162 T163 V167 E338 I346	W70-L341 HydrophobicContact CH2-CB 3.63Å; W70-L341 HydrophobicContact CH2-CD1 3.66Å; W70-L341 HydrophobicContact CH2-CG 4.32Å; W70-L341 HydrophobicContact CZ2-CB 4.22Å; W70-L341 HydrophobicContact CZ2-CD1 3.86Å; W70-L341 HydrophobicContact CZ3-CD1 4.5Å; L74-L341 HydrophobicContact CD2-CD1 3.74Å; A162-L341 HydrophobicContact CB-CD1 4.18Å; A162-L341 HydrophobicContact CB-CD2 3.91Å; A162-L341 HydrophobicContact CB-CG 4.14Å; T163-L341 HydrophobicContact CG2-CD2 3.64Å; V167-L341 HydrophobicContact CG2-CD1 3.59Å; V167-L341 HydrophobicContact CG2-CD2 3.8Å; V167-L341 HydrophobicContact CG2-CG 4.34Å; E338-L341 PolarHBondContact O-N 2.83Å; L341-I346 HydrophobicContact CB-CD1 4.13Å; L341-I346 HydrophobicContact CD1-CD1 4.41Å
342	D	98.8	Very high	98.3	Very high	39 Å²	39	39.4 Å²	39.4	21%	0.209	19%	0.193	C	C	.	.			trans	-93.6	100.6	175.3	-170.5	-92.7	0	0	0	111.1	G253 P255 S344 T345 I346	G253-D342 PolarHBondContact O-N 2.95Å; P255-D342 HydrophobicContact CB-CB 3.81Å; P255-D342 HydrophobicContact CG-CB 4.47Å; D342-S344 VanDerWaalsContact C-N 3.29Å; D342-S344 PolarHBondContact O-N 3.07Å; D342-T345 PolarHBondContact O-N 3.06Å; D342-T345 WeakPolarHBondContact OD1-CA 3.07Å; D342-T345 WeakPolarHBondContact OD1-CB 3.07Å; D342-T345 PolarHBondContact OD1-N 3.21Å; D342-T345 PolarHBondContact OD1-OG1 3.07Å; D342-I346 WeakPolarHBondContact O-CG1 3.37Å; D342-I346 PolarHBondContact O-N 3.23Å; D342-I346 VanDerWaalsContact O-N 3.11Å
343	R	98.5	Very high	98.4	Very high	108 Å²	108	37.9 Å²	37.9	41%	0.408	19%	0.186	S	C	.	.	H	α-helix	trans	-57.3	-41.2	-178.1	-73.5	178.9	175.5	-90.2	-4.2	112.7	L66 W70 I346 Q347	L66-R343 HydrophobicContact CD2-CB 4.12Å; W70-R343 VanDerWaalsContact CD2-NH1 3.34Å; W70-R343 VanDerWaalsContact CE2-CZ 3.5Å; W70-R343 HydrophobicContact CE3-CG 4.22Å; W70-R343 HydrophobicContact CH2-CG 3.65Å; W70-R343 HydrophobicContact CZ2-CG 4.36Å; W70-R343 HydrophobicContact CZ3-CB 4.48Å; W70-R343 HydrophobicContact CZ3-CG 3.6Å; R343-I346 PolarHBondContact O-N 2.83Å; R343-Q347 WeakPolarHBondContact O-CB 3.44Å; R343-Q347 PolarHBondContact O-N 3.31Å
344	S	98.5	Very high	98.5	Very high	19 Å²	19	35.6 Å²	35.6	13%	0.133	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-46.8	-178.1	-63.2	0	0	0	0	111.6	E288 D342 Q347 N348	E288-S344 VanDerWaalsContact OE2-CB 3.26Å; E288-S344 WeakPolarHBondContact OE2-CB 3.24Å; E288-S344 PolarHBondContact OE2-OG 3.05Å; D342-S344 VanDerWaalsContact C-N 3.29Å; D342-S344 PolarHBondContact O-N 3.07Å; S344-Q347 PolarHBondContact O-N 3.27Å; S344-N348 WeakPolarHBondContact O-CB 3.41Å; S344-N348 PolarHBondContact O-N 3.36Å; S344-N348 PolarHBondContact O-ND2 2.71Å
345	T	98.8	Very high	98.6	Very high	5 Å²	5	34 Å²	34	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-48.6	176.5	-64.7	0	0	0	0	110.9	P257 Y295 D342 Q347 N348 L349	P257-T345 VanDerWaalsContact CD-CG2 3.44Å; P257-T345 HydrophobicContact CG-CG2 3.58Å; Y295-T345 HydrophobicContact CE1-CG2 4.28Å; D342-T345 PolarHBondContact O-N 3.06Å; D342-T345 WeakPolarHBondContact OD1-CA 3.07Å; D342-T345 WeakPolarHBondContact OD1-CB 3.07Å; D342-T345 PolarHBondContact OD1-N 3.21Å; D342-T345 PolarHBondContact OD1-OG1 3.07Å; T345-Q347 VanDerWaalsContact C-N 3.32Å; T345-Q347 PolarHBondContact O-N 3.44Å; T345-N348 PolarHBondContact O-N 2.7Å; T345-L349 HydrophobicContact CG2-CD1 3.87Å; T345-L349 HydrophobicContact CG2-CG 4.4Å; T345-L349 WeakPolarHBondContact O-CG 3.38Å; T345-L349 PolarHBondContact O-N 3.41Å
346	I	98.9	Very high	98.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-43.4	179.6	-63.2	164.7	0	0	0	110.5	L66 M69 W70 V167 M171 L341 D342 R343 N348 L349 N350	L66-I346 HydrophobicContact CD1-CB 4.47Å; L66-I346 HydrophobicContact CD1-CG2 4.01Å; M69-I346 HydrophobicContact CE-CG2 3.63Å; W70-I346 HydrophobicContact CH2-CD1 4.15Å; W70-I346 HydrophobicContact CZ3-CD1 3.8Å; V167-I346 HydrophobicContact CG1-CD1 3.97Å; V167-I346 HydrophobicContact CG1-CG1 3.93Å; V167-I346 HydrophobicContact CG1-CG2 4.21Å; V167-I346 HydrophobicContact CG2-CD1 3.93Å; M171-I346 HydrophobicContact CG-CG2 4.27Å; M171-I346 HydrophobicContact SD-CG2 4.44Å; L341-I346 HydrophobicContact CB-CD1 4.13Å; L341-I346 HydrophobicContact CD1-CD1 4.41Å; D342-I346 WeakPolarHBondContact O-CG1 3.37Å; D342-I346 PolarHBondContact O-N 3.23Å; D342-I346 VanDerWaalsContact O-N 3.11Å; R343-I346 PolarHBondContact O-N 2.83Å; I346-N348 VanDerWaalsContact C-N 3.33Å; I346-N348 PolarHBondContact O-N 2.8Å; I346-L349 PolarHBondContact O-N 2.79Å; I346-N350 PolarHBondContact O-N 3.41Å
347	Q	98.6	Very high	98.7	Very high	53 Å²	53	29.5 Å²	29.5	25%	0.248	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-44.2	176.1	-170.5	177.7	-6	0	0	112.3	L66 V287 R343 S344 T345 K351	L66-Q347 HydrophobicContact CB-CG 4.42Å; L66-Q347 HydrophobicContact CD1-CB 4.11Å; L66-Q347 HydrophobicContact CD2-CB 3.88Å; L66-Q347 HydrophobicContact CD2-CG 4.35Å; L66-Q347 HydrophobicContact CG-CB 4.42Å; V287-Q347 HydrophobicContact CG2-CB 4.47Å; R343-Q347 WeakPolarHBondContact O-CB 3.44Å; R343-Q347 PolarHBondContact O-N 3.31Å; S344-Q347 PolarHBondContact O-N 3.27Å; T345-Q347 VanDerWaalsContact C-N 3.32Å; T345-Q347 PolarHBondContact O-N 3.44Å; Q347-K351 WeakPolarHBondContact O-CG 3.37Å; Q347-K351 PolarHBondContact O-N 3.23Å
348	N	98.8	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.1	-45.4	179.9	-70.8	-16.4	0	0	0	111.5	L286 V287 Y295 S344 T345 I346 N350 K351 I352	L286-N348 VanDerWaalsContact CA-OD1 3.27Å; L286-N348 WeakPolarHBondContact CA-OD1 3.38Å; L286-N348 HydrophobicContact CD2-CB 3.9Å; V287-N348 WeakPolarHBondContact CG2-OD1 3.39Å; V287-N348 PolarHBondContact N-OD1 3.16Å; V287-N348 PolarHBondContact O-ND2 3Å; Y295-N348 HydrophobicContact CE2-CB 3.84Å; Y295-N348 PolarHBondContact OH-ND2 3.29Å; S344-N348 WeakPolarHBondContact O-CB 3.41Å; S344-N348 PolarHBondContact O-N 3.36Å; S344-N348 PolarHBondContact O-ND2 2.71Å; T345-N348 PolarHBondContact O-N 2.7Å; I346-N348 VanDerWaalsContact C-N 3.33Å; I346-N348 PolarHBondContact O-N 2.8Å; N348-N350 PolarHBondContact O-N 2.87Å; N348-K351 PolarHBondContact O-N 2.86Å; N348-I352 WeakPolarHBondContact O-CG1 3.16Å; N348-I352 PolarHBondContact O-N 2.78Å
349	L	98.9	Very high	98.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.5	-37.8	179.5	-67.3	173.5	0	0	0	112.2	M171 I252 P257 F259 Y295 F296 T345 I346 K351 I352 F353	M171-L349 HydrophobicContact CE-CB 3.59Å; I252-L349 HydrophobicContact CG2-CD1 3.48Å; I252-L349 VanDerWaalsContact CG2-CD1 3.48Å; P257-L349 HydrophobicContact CG-CD1 4.26Å; F259-L349 HydrophobicContact CE2-CD1 4.16Å; F259-L349 HydrophobicContact CE2-CD2 3.93Å; F259-L349 HydrophobicContact CZ-CD1 4.25Å; Y295-L349 HydrophobicContact CD2-CD2 4.04Å; Y295-L349 HydrophobicContact CG-CD2 4.19Å; F296-L349 HydrophobicContact CE2-CD2 4.04Å; F296-L349 HydrophobicContact CZ-CD2 3.71Å; T345-L349 HydrophobicContact CG2-CD1 3.87Å; T345-L349 HydrophobicContact CG2-CG 4.4Å; T345-L349 WeakPolarHBondContact O-CG 3.38Å; T345-L349 PolarHBondContact O-N 3.41Å; I346-L349 PolarHBondContact O-N 2.79Å; L349-K351 VanDerWaalsContact C-N 3.34Å; L349-K351 PolarHBondContact O-N 2.69Å; L349-I352 PolarHBondContact O-N 2.92Å; L349-F353 HydrophobicContact CB-CE2 4.38Å; L349-F353 WeakPolarHBondContact O-CG 3.47Å; L349-F353 PolarHBondContact O-N 2.81Å
350	N	98.9	Very high	98.7	Very high	2 Å²	2	17 Å²	17	1%	0.011	8%	0.081	C	C	.	.	H	α-helix	trans	-54.9	-49.1	171.7	-85.1	-21.6	0	0	0	112	M69 M171 I346 N348 I352 F353 Q354	M69-N350 PolarHBondContact SD-ND2 2.99Å; M171-N350 WeakPolarHBondContact CB-OD1 3.22Å; M171-N350 VanDerWaalsContact CG-OD1 3.23Å; M171-N350 WeakPolarHBondContact CG-OD1 3.45Å; I346-N350 PolarHBondContact O-N 3.41Å; N348-N350 PolarHBondContact O-N 2.87Å; N350-I352 VanDerWaalsContact C-N 3.33Å; N350-I352 PolarHBondContact O-N 3.09Å; N350-F353 PolarHBondContact O-N 3.27Å; N350-Q354 VanDerWaalsContact O-CG 3.3Å; N350-Q354 WeakPolarHBondContact O-CG 3.38Å; N350-Q354 PolarHBondContact O-N 3.24Å
351	K	98.8	Very high	98.7	Very high	22 Å²	22	13.9 Å²	13.9	10%	0.096	6%	0.064	C	C	.	.	H	α-helix	trans	-62.2	-42.1	178.8	-64.6	176.3	-179.3	-176.3	0	111.7	L61 L280 Q285 Q347 N348 L349 V355	L61-K351 HydrophobicContact CD1-CB 4.14Å; L61-K351 HydrophobicContact CD1-CD 4.15Å; L61-K351 HydrophobicContact CD1-CG 4.17Å; L61-K351 HydrophobicContact CD2-CB 3.68Å; L61-K351 HydrophobicContact CD2-CG 3.84Å; L280-K351 HydrophobicContact CD1-CB 3.98Å; Q285-K351 WeakPolarHBondContact O-CD 3.49Å; Q285-K351 PolarHBondContact O-NZ 3.24Å; Q347-K351 WeakPolarHBondContact O-CG 3.37Å; Q347-K351 PolarHBondContact O-N 3.23Å; N348-K351 PolarHBondContact O-N 2.86Å; L349-K351 VanDerWaalsContact C-N 3.34Å; L349-K351 PolarHBondContact O-N 2.69Å; K351-V355 WeakPolarHBondContact O-CG2 3.26Å; K351-V355 PolarHBondContact O-N 2.97Å
352	I	98.9	Very high	98.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.9	-45.5	179.3	-67.5	164.4	0	0	0	110.6	L273 I276 E277 L280 L286 Y295 F296 N348 L349 N350 V355 F356	L273-I352 HydrophobicContact CD2-CG2 3.78Å; I276-I352 HydrophobicContact CB-CG2 4.4Å; I276-I352 HydrophobicContact CG2-CB 4.28Å; I276-I352 HydrophobicContact CG2-CG1 4.35Å; I276-I352 HydrophobicContact CG2-CG2 3.94Å; E277-I352 HydrophobicContact CB-CD1 3.99Å; E277-I352 HydrophobicContact CG-CD1 4.16Å; L280-I352 HydrophobicContact CD1-CB 4.41Å; L280-I352 HydrophobicContact CD1-CG1 3.65Å; L286-I352 HydrophobicContact CD2-CG1 4.48Å; Y295-I352 HydrophobicContact CD2-CD1 3.94Å; Y295-I352 HydrophobicContact CE2-CD1 4.27Å; F296-I352 HydrophobicContact CE2-CD1 3.86Å; F296-I352 HydrophobicContact CE2-CG2 3.75Å; F296-I352 HydrophobicContact CZ-CG2 4.12Å; N348-I352 WeakPolarHBondContact O-CG1 3.16Å; N348-I352 PolarHBondContact O-N 2.78Å; L349-I352 PolarHBondContact O-N 2.92Å; N350-I352 VanDerWaalsContact C-N 3.33Å; N350-I352 PolarHBondContact O-N 3.09Å; I352-V355 PolarHBondContact O-N 2.65Å; I352-F356 WeakPolarHBondContact O-CB 3.1Å; I352-F356 PolarHBondContact O-N 3.01Å
353	F	98.8	Very high	98.4	Very high	12 Å²	12	15.2 Å²	15.2	5%	0.053	7%	0.072	C	C	.	.	H	α-helix	trans	-69.7	-36.8	-179.1	-66	-20.8	0	0	0	113.3	M171 L175 L249 I252 L273 F296 L322 L349 N350 F356 V357	M171-F353 HydrophobicContact CE-CD2 3.52Å; M171-F353 HydrophobicContact CE-CE2 3.4Å; M171-F353 VanDerWaalsContact CE-CE2 3.4Å; L175-F353 HydrophobicContact CD1-CB 4.01Å; L249-F353 HydrophobicContact CD2-CD2 3.88Å; L249-F353 HydrophobicContact CD2-CE2 3.5Å; L249-F353 VanDerWaalsContact CD2-CE2 3.5Å; L249-F353 HydrophobicContact CD2-CZ 4.4Å; L249-F353 HydrophobicContact CG-CE2 4.12Å; I252-F353 HydrophobicContact CD1-CE2 4.17Å; I252-F353 HydrophobicContact CD1-CZ 4.31Å; L273-F353 HydrophobicContact CD2-CD1 3.91Å; L273-F353 HydrophobicContact CD2-CE1 4.03Å; F296-F353 HydrophobicContact CE1-CE1 4.31Å; F296-F353 AromaticContact CZ-CE1 3.92Å; F296-F353 HydrophobicContact CZ-CE1 3.92Å; F296-F353 HydrophobicContact CZ-CZ 4.48Å; L322-F353 HydrophobicContact CD1-CD1 4.39Å; L322-F353 HydrophobicContact CD1-CE1 3.42Å; L322-F353 VanDerWaalsContact CD1-CE1 3.42Å; L322-F353 HydrophobicContact CD1-CE2 4.49Å; L322-F353 HydrophobicContact CD1-CZ 3.48Å; L322-F353 VanDerWaalsContact CD1-CZ 3.48Å; L349-F353 HydrophobicContact CB-CE2 4.38Å; L349-F353 WeakPolarHBondContact O-CG 3.47Å; L349-F353 PolarHBondContact O-N 2.81Å; N350-F353 PolarHBondContact O-N 3.27Å; F353-F356 PolarHBondContact O-N 2.95Å; F353-V357 WeakPolarHBondContact O-CG2 3.38Å; F353-V357 PolarHBondContact O-N 2.99Å
354	Q	98.7	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60	-48	173.5	-74.3	172.6	29.5	0	0	111.8	L61 T64 L175 L179 N350 F356 V357 L358	L61-Q354 HydrophobicContact CD2-CB 4.5Å; T64-Q354 PolarHBondContact OG1-NE2 3.48Å; T64-Q354 PolarHBondContact OG1-OE1 3.44Å; L175-Q354 HydrophobicContact CD1-CG 4.34Å; L175-Q354 HydrophobicContact CG-CG 4.14Å; L179-Q354 HydrophobicContact CD1-CB 4.2Å; L179-Q354 HydrophobicContact CD1-CG 4.22Å; L179-Q354 HydrophobicContact CD2-CB 4.28Å; L179-Q354 HydrophobicContact CD2-CG 4.37Å; L179-Q354 HydrophobicContact CG-CB 4.45Å; L179-Q354 HydrophobicContact CG-CG 4.21Å; N350-Q354 VanDerWaalsContact O-CG 3.3Å; N350-Q354 WeakPolarHBondContact O-CG 3.38Å; N350-Q354 PolarHBondContact O-N 3.24Å; Q354-F356 VanDerWaalsContact C-N 3.33Å; Q354-F356 PolarHBondContact O-N 3.42Å; Q354-V357 PolarHBondContact O-N 2.89Å; Q354-L358 WeakPolarHBondContact O-CG 3.37Å; Q354-L358 PolarHBondContact O-N 3.1Å
355	V	98.8	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.3	-42.5	176.1	174.6	0	0	0	0	110.6	L52 I57 L61 I276 L280 K351 I352 V357 L358 E359	L52-V355 HydrophobicContact CD1-CG1 4.34Å; I57-V355 HydrophobicContact CG1-CG1 4.36Å; I57-V355 HydrophobicContact CG1-CG2 4.2Å; I57-V355 HydrophobicContact CG2-CG2 4.31Å; L61-V355 HydrophobicContact CD2-CG2 4.26Å; I276-V355 HydrophobicContact CB-CG1 4.43Å; I276-V355 HydrophobicContact CD1-CB 4.48Å; I276-V355 HydrophobicContact CD1-CG1 3.96Å; I276-V355 HydrophobicContact CG1-CG1 3.87Å; I276-V355 HydrophobicContact CG2-CB 3.78Å; I276-V355 HydrophobicContact CG2-CG1 3.71Å; L280-V355 HydrophobicContact CD2-CG2 4.46Å; K351-V355 WeakPolarHBondContact O-CG2 3.26Å; K351-V355 PolarHBondContact O-N 2.97Å; I352-V355 PolarHBondContact O-N 2.65Å; V355-V357 PolarHBondContact O-N 2.83Å; V355-L358 PolarHBondContact O-N 3.1Å; V355-E359 HydrophobicContact CG1-CG 4.19Å; V355-E359 WeakPolarHBondContact O-CB 3.5Å; V355-E359 VanDerWaalsContact O-CG 3.31Å; V355-E359 WeakPolarHBondContact O-CG 3.31Å; V355-E359 PolarHBondContact O-N 3.42Å
356	F	98.9	Very high	97.4	Very high	5 Å²	5	20.4 Å²	20.4	2%	0.022	11%	0.105	C	C	.	.	H	α-helix	trans	-59.3	-47.7	178.2	175.6	-93.5	0	0	0	112.3	L139 L245 V247 W269 R272 L273 I276 L320 I352 F353 Q354 E359 Y360	L139-F356 HydrophobicContact CD2-CE1 4.46Å; L245-F356 HydrophobicContact CD2-CZ 4.16Å; V247-F356 HydrophobicContact CG2-CE1 4.11Å; W269-F356 HydrophobicContact CB-CE2 4.35Å; W269-F356 HydrophobicContact CB-CZ 4.43Å; W269-F356 HydrophobicContact CE3-CE2 4.07Å; W269-F356 HydrophobicContact CE3-CZ 4.33Å; R272-F356 HydrophobicContact CB-CE2 4.43Å; R272-F356 HydrophobicContact CG-CD2 4.08Å; R272-F356 HydrophobicContact CG-CE2 4.27Å; L273-F356 HydrophobicContact CD2-CB 3.78Å; L273-F356 HydrophobicContact CD2-CD2 3.64Å; L273-F356 HydrophobicContact CD2-CE2 4.38Å; L273-F356 HydrophobicContact CD2-CG 3.73Å; L273-F356 HydrophobicContact CG-CD2 3.92Å; L273-F356 HydrophobicContact CG-CE2 4.26Å; L273-F356 HydrophobicContact CG-CG 4.48Å; I276-F356 HydrophobicContact CD1-CB 3.79Å; I276-F356 HydrophobicContact CD1-CD2 4.26Å; L320-F356 HydrophobicContact CD2-CZ 4.12Å; I352-F356 WeakPolarHBondContact O-CB 3.1Å; I352-F356 PolarHBondContact O-N 3.01Å; F353-F356 PolarHBondContact O-N 2.95Å; Q354-F356 VanDerWaalsContact C-N 3.33Å; Q354-F356 PolarHBondContact O-N 3.42Å; F356-E359 PolarHBondContact O-N 3.23Å; F356-Y360 HydrophobicContact CE1-CD2 4.45Å; F356-Y360 HydrophobicContact CZ-CD2 4.11Å; F356-Y360 WeakPolarHBondContact O-CB 3.48Å; F356-Y360 PolarHBondContact O-N 3.48Å
357	V	98.8	Very high	96.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.6	-45.8	-179.9	168.8	0	0	0	0	111.1	L139 L141 L175 L179 L195 F353 Q354 V355 E359 Y360 L361	L139-V357 HydrophobicContact CD2-CG2 4.2Å; L141-V357 HydrophobicContact CD1-CG2 3.92Å; L141-V357 HydrophobicContact CD2-CG2 4.33Å; L175-V357 HydrophobicContact CD1-CB 4.31Å; L175-V357 HydrophobicContact CD1-CG2 3.71Å; L175-V357 HydrophobicContact CD2-CB 4.49Å; L175-V357 HydrophobicContact CD2-CG1 4.28Å; L175-V357 HydrophobicContact CD2-CG2 4.24Å; L179-V357 HydrophobicContact CD1-CG1 4.39Å; L195-V357 HydrophobicContact CD1-CG1 4.17Å; L195-V357 HydrophobicContact CD2-CG1 3.99Å; F353-V357 WeakPolarHBondContact O-CG2 3.38Å; F353-V357 PolarHBondContact O-N 2.99Å; Q354-V357 PolarHBondContact O-N 2.89Å; V355-V357 PolarHBondContact O-N 2.83Å; V357-E359 PolarHBondContact O-N 2.86Å; V357-Y360 PolarHBondContact O-N 3.45Å; V357-L361 HydrophobicContact CG1-CD1 3.61Å; V357-L361 HydrophobicContact CG1-CG 4.18Å; V357-L361 WeakPolarHBondContact O-CB 3.47Å; V357-L361 VanDerWaalsContact O-CG 3.29Å; V357-L361 WeakPolarHBondContact O-CG 3.41Å; V357-L361 PolarHBondContact O-N 3.09Å
358	L	98.4	Very high	95.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.4	-44.7	176.8	-70.4	175.2	0	0	0	112.1	L52 A60 L179 E182 Q354 V355 Y360 L361 N362 S363 P365	L52-L358 HydrophobicContact CD1-CB 3.96Å; L52-L358 HydrophobicContact CD1-CD1 4.06Å; A60-L358 HydrophobicContact CB-CD1 3.44Å; A60-L358 VanDerWaalsContact CB-CD1 3.44Å; L179-L358 HydrophobicContact CD1-CD2 4.14Å; L179-L358 HydrophobicContact CD1-CG 3.97Å; L179-L358 HydrophobicContact CD2-CD1 3.8Å; L179-L358 HydrophobicContact CD2-CD2 4.22Å; L179-L358 HydrophobicContact CD2-CG 4.08Å; E182-L358 HydrophobicContact CB-CD2 3.74Å; E182-L358 HydrophobicContact CG-CD2 3.95Å; Q354-L358 WeakPolarHBondContact O-CG 3.37Å; Q354-L358 PolarHBondContact O-N 3.1Å; V355-L358 PolarHBondContact O-N 3.1Å; L358-Y360 PolarHBondContact O-N 3.33Å; L358-L361 PolarHBondContact O-N 2.93Å; L358-N362 PolarHBondContact O-N 3.46Å; L358-N362 VanDerWaalsContact O-N 3.08Å; L358-S363 PolarHBondContact O-N 3.3Å; L358-P365 HydrophobicContact CD1-CG 3.71Å
359	E	98.6	Very high	93.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.2	-41.4	177.2	-74.3	-161	170	0	0	111.8	A49 L50 K51 L52 R272 R279 V355 F356 V357 N362	A49-E359 CarbonylContact C-O 3.57Å; A49-E359 WeakPolarHBondContact CA-O 3.29Å; A49-E359 HydrophobicContact CB-CB 4.17Å; A49-E359 VanDerWaalsContact CB-O 3.25Å; A49-E359 WeakPolarHBondContact CB-O 3.24Å; L50-E359 HydrophobicContact CD1-CB 4.47Å; L50-E359 HydrophobicContact CD1-CG 4.07Å; L50-E359 PolarHBondContact N-O 2.91Å; L50-E359 VanDerWaalsContact N-O 3.08Å; L50-E359 WeakPolarHBondContact O-CB 3.39Å; L50-E359 VanDerWaalsContact O-CD 3.3Å; L50-E359 WeakPolarHBondContact O-CG 3.49Å; K51-E359 WeakPolarHBondContact CA-OE1 3.4Å; L52-E359 HydrophobicContact CD1-CG 4.31Å; L52-E359 HydrophobicContact CG-CG 3.9Å; L52-E359 PolarHBondContact N-OE1 3.04Å; R272-E359 WeakPolarHBondContact CD-OE2 3.42Å; R272-E359 IonicContact NH1-OE2 2.66Å; R272-E359 PolarHBondContact NH1-OE2 3.46Å; R279-E359 IonicContact CZ-OE1 3.28Å; R279-E359 VanDerWaalsContact CZ-OE1 3.28Å; R279-E359 IonicContact NH1-OE1 2.69Å; R279-E359 PolarHBondContact NH1-OE1 3.44Å; R279-E359 IonicContact NH1-OE2 3.49Å; R279-E359 PolarHBondContact NH1-OE2 2.93Å; R279-E359 IonicContact NH2-OE1 2.88Å; R279-E359 PolarHBondContact NH2-OE1 2.83Å; V355-E359 HydrophobicContact CG1-CG 4.19Å; V355-E359 WeakPolarHBondContact O-CB 3.5Å; V355-E359 VanDerWaalsContact O-CG 3.31Å; V355-E359 WeakPolarHBondContact O-CG 3.31Å; V355-E359 PolarHBondContact O-N 3.42Å; F356-E359 PolarHBondContact O-N 3.23Å; V357-E359 PolarHBondContact O-N 2.86Å; E359-N362 PolarHBondContact O-N 3.04Å; E359-N362 PolarHBondContact O-OD1 2.63Å
360	Y	98.6	Very high	91.1	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-68.1	-47.1	177.5	-164.2	-73.5	0	0	0	111.9	H47 L139 L193 D244 L245 W269 F356 V357 L358 N362	H47-Y360 AromaticContact CD2-CE1 3.72Å; H47-Y360 AromaticContact CD2-CE2 3.83Å; H47-Y360 AromaticContact CD2-CZ 3.53Å; H47-Y360 PolarHBondContact CE1-O 3.12Å; H47-Y360 AromaticContact NE2-CD1 3.63Å; H47-Y360 AromaticContact NE2-CE1 3.66Å; H47-Y360 AromaticContact NE2-CG 3.82Å; H47-Y360 AromaticContact NE2-CZ 3.91Å; H47-Y360 PolarHBondContact NE2-O 2.9Å; L139-Y360 HydrophobicContact CB-CD1 3.85Å; L139-Y360 HydrophobicContact CB-CE1 3.93Å; L139-Y360 HydrophobicContact CD1-CD1 4.08Å; L139-Y360 HydrophobicContact CD1-CD2 4.2Å; L139-Y360 HydrophobicContact CD1-CE1 4.08Å; L139-Y360 HydrophobicContact CD1-CE2 4.17Å; L139-Y360 HydrophobicContact CD1-CG 4.18Å; L139-Y360 HydrophobicContact CD2-CD1 3.8Å; L139-Y360 HydrophobicContact CD2-CG 3.82Å; L139-Y360 HydrophobicContact CG-CD1 4.13Å; L139-Y360 HydrophobicContact CG-CE1 4.41Å; L139-Y360 HydrophobicContact CG-CG 4.44Å; L193-Y360 HydrophobicContact CD1-CE1 4.2Å; L193-Y360 HydrophobicContact CD2-CD1 3.95Å; L193-Y360 HydrophobicContact CD2-CE1 3.82Å; D244-Y360 HydrophobicContact CB-CE1 4.35Å; D244-Y360 WeakPolarHBondContact CB-OH 3.4Å; D244-Y360 PolarHBondContact OD2-OH 3.17Å; L245-Y360 HydrophobicContact CB-CE2 4.37Å; L245-Y360 HydrophobicContact CD2-CE2 3.99Å; W269-Y360 HydrophobicContact CD2-CD2 4.32Å; W269-Y360 AromaticContact CD2-CE2 3.99Å; W269-Y360 HydrophobicContact CD2-CE2 3.99Å; W269-Y360 AromaticContact CE2-CE2 3.66Å; W269-Y360 AromaticContact CE3-CD2 3.92Å; W269-Y360 HydrophobicContact CE3-CD2 3.92Å; W269-Y360 HydrophobicContact CE3-CE2 4.04Å; W269-Y360 AromaticContact CH2-CD2 3.73Å; W269-Y360 HydrophobicContact CH2-CD2 3.73Å; W269-Y360 AromaticContact CH2-CE2 3.54Å; W269-Y360 HydrophobicContact CH2-CE2 3.54Å; W269-Y360 HydrophobicContact CZ2-CD2 4.11Å; W269-Y360 AromaticContact CZ2-CE2 3.44Å; W269-Y360 HydrophobicContact CZ2-CE2 3.44Å; W269-Y360 VanDerWaalsContact CZ2-CE2 3.44Å; W269-Y360 AromaticContact CZ3-CD2 3.61Å; W269-Y360 HydrophobicContact CZ3-CD2 3.61Å; W269-Y360 AromaticContact CZ3-CE2 3.83Å; W269-Y360 HydrophobicContact CZ3-CE2 3.83Å; F356-Y360 HydrophobicContact CE1-CD2 4.45Å; F356-Y360 HydrophobicContact CZ-CD2 4.11Å; F356-Y360 WeakPolarHBondContact O-CB 3.48Å; F356-Y360 PolarHBondContact O-N 3.48Å; V357-Y360 PolarHBondContact O-N 3.45Å; L358-Y360 PolarHBondContact O-N 3.33Å; Y360-N362 PolarHBondContact O-N 3.24Å; Y360-N362 VanDerWaalsContact O-N 3.1Å
361	L	97.8	Very high	88.9	Confident	7 Å²	7	42.6 Å²	42.6	4%	0.037	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-2.7	179.5	-64.8	178.5	0	0	0	113.3	L139 L183 Q186 L193 L195 V357 L358 S363	L139-L361 HydrophobicContact CB-CD2 4.25Å; L183-L361 HydrophobicContact CD2-CD1 3.82Å; Q186-L361 HydrophobicContact CG-CB 4.34Å; L193-L361 HydrophobicContact CD2-CD2 4.4Å; L193-L361 HydrophobicContact CG-CD2 4.1Å; L195-L361 HydrophobicContact CB-CD1 4.04Å; L195-L361 HydrophobicContact CD2-CD1 4.49Å; V357-L361 HydrophobicContact CG1-CD1 3.61Å; V357-L361 HydrophobicContact CG1-CG 4.18Å; V357-L361 WeakPolarHBondContact O-CB 3.47Å; V357-L361 VanDerWaalsContact O-CG 3.29Å; V357-L361 WeakPolarHBondContact O-CG 3.41Å; V357-L361 PolarHBondContact O-N 3.09Å; L358-L361 PolarHBondContact O-N 2.93Å; L361-S363 PolarHBondContact O-N 3.11Å
362	N	96.1	Very high	86.5	Confident	76 Å²	76	49.6 Å²	49.6	41%	0.406	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	34.4	-172	-67.6	-48.1	0	0	0	113.1	L50 L358 E359 Y360	L50-N362 VanDerWaalsContact CB-OD1 3.32Å; L50-N362 WeakPolarHBondContact CB-OD1 3.34Å; L50-N362 VanDerWaalsContact CD2-C 3.42Å; L50-N362 HydrophobicContact CD2-CB 3.92Å; L50-N362 HydrophobicContact CG-CB 4.4Å; L50-N362 WeakPolarHBondContact CG-OD1 3.46Å; L50-N362 PolarHBondContact N-OD1 3.5Å; L358-N362 PolarHBondContact O-N 3.46Å; L358-N362 VanDerWaalsContact O-N 3.08Å; E359-N362 PolarHBondContact O-N 3.04Å; E359-N362 PolarHBondContact O-OD1 2.63Å; Y360-N362 PolarHBondContact O-N 3.24Å; Y360-N362 VanDerWaalsContact O-N 3.1Å
363	S	95.1	Very high	84	Confident	10 Å²	10	56.4 Å²	56.4	7%	0.07	32%	0.318	C	S	.	.			trans	-96.5	133.9	178.8	-167.7	0	0	0	0	110.3	E182 L358 L361	E182-S363 PolarHBondContact O-OG 3.06Å; L358-S363 PolarHBondContact O-N 3.3Å; L361-S363 PolarHBondContact O-N 3.11Å
364	R	94.1	Very high	80.9	Confident	132 Å²	132	59.6 Å²	59.6	50%	0.498	35%	0.347	S	S	.	.			trans	-109.9	125.1	-179.7	-70	179.6	179.7	-84.8	-6.8	109.7	L50 L52 E56	L50-R364 HydrophobicContact CD2-CG 3.97Å; L52-R364 HydrophobicContact CD2-CG 4.31Å; E56-R364 WeakPolarHBondContact OE1-CD 3.48Å; E56-R364 IonicContact OE1-CZ 3.26Å; E56-R364 IonicContact OE1-NE 3.7Å; E56-R364 IonicContact OE1-NH1 3.41Å; E56-R364 PolarHBondContact OE1-NH1 3.5Å; E56-R364 IonicContact OE2-NH1 3.63Å; E56-R364 PolarHBondContact OE2-NH1 2.77Å
365	P	93.3	Very high	78.4	Confident	5 Å²	5	69.2 Å²	69.2	3%	0.032	41%	0.409	C	S	.	.			trans	-58.3	149.2	170.3	-24	34.2	0	0	0	112.2	E56 A59 A60 E182 L358 V367	E56-P365 WeakPolarHBondContact O-CG 3.4Å; A59-P365 HydrophobicContact CB-CB 3.8Å; A60-P365 HydrophobicContact CB-CG 3.71Å; E182-P365 HydrophobicContact CG-CB 4.22Å; E182-P365 HydrophobicContact CG-CG 4.24Å; L358-P365 HydrophobicContact CD1-CG 3.71Å; P365-V367 PolarHBondContact O-N 3.05Å
366	S	86.9	Confident	77.4	Confident	104 Å²	104	72.7 Å²	72.7	73%	0.727	43%	0.43	S	S	*	.			trans	-74.5	111.4	172.7	-67.6	0	0	0	0	109.8	P368	S366-P368 WeakPolarHBondContact O-CD 3.36Å
367	V	82.6	Confident	76.2	Confident	69 Å²	69	76.3 Å²	76.3	42%	0.418	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-80.5	121.8	174.8	-176.9	0	0	0	0	108.7	D55 E56 P365 S369	D55-V367 HydrophobicContact CB-CG1 4.12Å; D55-V367 HydrophobicContact CB-CG2 4.39Å; E56-V367 HydrophobicContact CB-CG2 4.49Å; E56-V367 HydrophobicContact CG-CG2 3.78Å; P365-V367 PolarHBondContact O-N 3.05Å; V367-S369 PolarHBondContact O-N 3.03Å
368	P	68.6	Low	75	Confident	109 Å²	109	80.5 Å²	80.5	71%	0.708	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-56.3	124.8	176.3	-22.6	32	0	0	0	110.4	S366 N370	S366-P368 WeakPolarHBondContact O-CD 3.36Å; P368-N370 PolarHBondContact O-N 3.47Å
369	S	60.2	Low	73.6	Confident	115 Å²	115	85.2 Å²	85.2	80%	0.804	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-66.3	123.1	175.7	30.8	0	0	0	0	109.8	V367 P371	V367-S369 PolarHBondContact O-N 3.03Å; S369-P371 VanDerWaalsContact O-CD 3.3Å; S369-P371 WeakPolarHBondContact O-CD 3.36Å
370	N	52.2	Low	72	Confident	112 Å²	112	90.6 Å²	90.6	60%	0.599	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-69.2	117.2	178.8	-143.1	-3.6	0	0	0	108.7	P368 Q372 N373	P368-N370 PolarHBondContact O-N 3.47Å; N370-Q372 PolarHBondContact O-N 3.04Å; N370-N373 PolarHBondContact O-N 3.02Å
371	P	52.2	Low	70.3	Confident	116 Å²	116	96.5 Å²	96.5	75%	0.753	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-65.3	-5.5	-173.8	1	2.4	0	0	0	114.4	S369	S369-P371 VanDerWaalsContact O-CD 3.3Å; S369-P371 WeakPolarHBondContact O-CD 3.36Å
372	Q	49.6	Very low	68.3	Low	168 Å²	168	102.9 Å²	102.9	79%	0.785	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-84.4	-4.5	179.5	-69.1	-176	-13.5	0	0	114.6	N370	N370-Q372 PolarHBondContact O-N 3.04Å
373	N	45.2	Very low	66.2	Low	144 Å²	144	105 Å²	105	77%	0.77	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-120.9	25.8	178.6	-74.2	-24.1	0	0	0	113.3	N370	N370-N373 PolarHBondContact O-N 3.02Å
374	A	33.6	Very low	63.7	Low	79 Å²	79	112.9 Å²	112.9	65%	0.653	67%	0.672	S	S	*	*			trans	-78.9	131.8	163.7	0	0	0	0	0	108.8
375	P	46.6	Very low	61	Low	202 Å²	202	111.2 Å²	111.2	100%	1.312	69%	0.687	S	S	*	*			trans	-63	0	-176.2	25.6	-33.7	0	0	0	114.2

Retrieved 375 of 375 residues in 787.8 ms (Link to these results)

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