A0A093HCJ1_STRCA Loading...

Glycerol-3-phosphate dehydrogenase

Calcium-responsive mitochondrial glycerol-3-phosphate dehydrogenase which seems to be a key component of the pancreatic beta-cell glucose-sensing device.

AlphaFold DB , UniProt , Accession A0A093HCJ1, Species STRCA (Struthio camelus australis), Gene n/a, Length 727 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.1	Very low	30.9	Very low	246 Å²	246	160.3 Å²	160.3	100%	1.212	89%	0.892	S	S	*	*				0	57.2	0	-82.6	-169.4	-126.6	0	0	112
2	A	30.8	Very low	31	Very low	100 Å²	100	158.9 Å²	158.9	83%	0.826	88%	0.88	S	S	*	*			trans	-156.1	39.5	171.6	0	0	0	0	0	112.1
3	F	27.5	Very low	31.4	Very low	209 Å²	209	158.9 Å²	158.9	92%	0.917	88%	0.875	S	S	*	*	S	Bend	trans	-141.1	7.4	174.3	-142.3	-96.4	0	0	0	114
4	Q	27.9	Very low	31.4	Very low	193 Å²	193	152.6 Å²	152.6	90%	0.902	87%	0.865	S	S	*	*	S	Bend	trans	-102	17.7	-174.8	-92.6	-175.6	-20.8	0	0	114.6
5	K	30.8	Very low	31.3	Very low	210 Å²	210	145.6 Å²	145.6	91%	0.913	84%	0.84	S	S	*	*	S	Bend	trans	-131.4	30.9	-171.8	-118.1	-175.5	-175.4	-176.6	0	116.5
6	A	30.5	Very low	31.1	Very low	95 Å²	95	139.8 Å²	139.8	79%	0.785	82%	0.821	S	S	*	*	S	Bend	trans	-140.4	34.1	175.7	0	0	0	0	0	114.7
7	V	33.2	Very low	31.4	Very low	146 Å²	146	136.2 Å²	136.2	89%	0.885	81%	0.811	S	S	*	*			trans	-136.9	70.5	167.8	-168.6	0	0	0	0	110
8	K	29.7	Very low	31.8	Very low	216 Å²	216	134.7 Å²	134.7	94%	0.939	80%	0.797	S	S	*	*			trans	-140.2	113.1	156.7	-86.5	-166.8	176.9	-177.7	0	108.5
9	G	29.3	Very low	32	Very low	73 Å²	73	131.3 Å²	131.3	75%	0.753	79%	0.785	S	S	*	*	S	Bend	trans	118.3	85.3	171.2	0	0	0	0	0	112.5
10	T	27.9	Very low	32.5	Very low	139 Å²	139	129.1 Å²	129.1	85%	0.853	77%	0.773	S	S	*	*				168.7	101.9	124.8	-58.2	0	0	0	0	107.3
11	V	32.7	Very low	33	Very low	136 Å²	136	127.6 Å²	127.6	82%	0.824	76%	0.764	S	S	*	*			trans	-84.5	120.4	160.9	167.6	0	0	0	0	105.9
12	L	31.1	Very low	32.9	Very low	144 Å²	144	122.1 Å²	122.1	75%	0.754	73%	0.734	S	S	*	*			trans	-169	105.3	142.7	-109.5	132.6	0	0	0	112.1
13	I	37	Very low	33.1	Very low	159 Å²	159	119.3 Å²	119.3	82%	0.815	72%	0.715	S	S	*	*	S	Bend	trans	65.8	112.6	138.2	-52.6	-176.8	0	0	0	118.3
14	G	31.4	Very low	33.6	Very low	71 Å²	71	115 Å²	115	73%	0.732	70%	0.701	S	S	*	*	S	Bend	trans	119.8	-0.3	149.8	0	0	0	0	0	119.1
15	G	29.8	Very low	34	Very low	47 Å²	47	108 Å²	108	49%	0.485	67%	0.673	S	S	.	*			trans	-111.8	-16.1	-173.2	0	0	0	0	0	117.3	A17 I18 A19	G15-A17 PolarHBondContact O-N 3.45Å; G15-I18 PolarHBondContact O-N 2.83Å; G15-A19 PolarHBondContact O-N 3.3Å
16	G	28.6	Very low	34.3	Very low	53 Å²	53	104.3 Å²	104.3	55%	0.546	66%	0.659	S	S	.	*	H	α-helix	trans	-70.4	-35.2	-166.5	0	0	0	0	0	115.3	T20	G16-T20 WeakPolarHBondContact O-CB 3.29Å; G16-T20 PolarHBondContact O-N 2.81Å; G16-T20 PolarHBondContact O-OG1 2.91Å
17	A	34.7	Very low	34.5	Very low	78 Å²	78	106.9 Å²	106.9	65%	0.645	65%	0.653	S	S	*	*	H	α-helix	trans	-71.5	-35.6	179.6	0	0	0	0	0	112.1	G15 V21	G15-A17 PolarHBondContact O-N 3.45Å; A17-V21 WeakPolarHBondContact O-CB 3.5Å; A17-V21 WeakPolarHBondContact O-CG2 3.47Å; A17-V21 PolarHBondContact O-N 3.47Å
18	I	38.6	Very low	34.7	Very low	109 Å²	109	103 Å²	103	56%	0.559	63%	0.632	S	S	*	*	H	α-helix	trans	-76.3	-42.9	-177	-61.4	176.1	0	0	0	110.6	G15 T20 V21 F22	G15-I18 PolarHBondContact O-N 2.83Å; I18-T20 VanDerWaalsContact C-N 3.32Å; I18-T20 PolarHBondContact O-N 2.98Å; I18-V21 PolarHBondContact O-N 3.36Å; I18-F22 HydrophobicContact CG2-CD2 3.68Å; I18-F22 HydrophobicContact CG2-CE2 3.87Å; I18-F22 WeakPolarHBondContact O-CD2 3.45Å; I18-F22 PolarHBondContact O-N 3.47Å
19	A	37.1	Very low	35.1	Very low	70 Å²	70	99 Å²	99	58%	0.579	62%	0.617	S	S	*	*	H	α-helix	trans	-65.8	-34.6	178.7	0	0	0	0	0	112.7	G15 G23	G15-A19 PolarHBondContact O-N 3.3Å; A19-G23 PolarHBondContact O-N 2.64Å
20	T	40.6	Very low	35.4	Very low	88 Å²	88	103.6 Å²	103.6	54%	0.54	61%	0.613	S	S	.	*	H	α-helix	trans	-73.4	-36.4	177.7	-43.5	0	0	0	0	111.5	G16 I18 L24	G16-T20 WeakPolarHBondContact O-CB 3.29Å; G16-T20 PolarHBondContact O-N 2.81Å; G16-T20 PolarHBondContact O-OG1 2.91Å; I18-T20 VanDerWaalsContact C-N 3.32Å; I18-T20 PolarHBondContact O-N 2.98Å; T20-L24 HydrophobicContact CG2-CD1 4.14Å; T20-L24 WeakPolarHBondContact O-CB 3.35Å; T20-L24 WeakPolarHBondContact O-CD1 3.23Å; T20-L24 VanDerWaalsContact O-CG 3.31Å; T20-L24 WeakPolarHBondContact O-CG 3.49Å; T20-L24 PolarHBondContact O-N 3.38Å
21	V	43.4	Very low	35.6	Very low	97 Å²	97	106.7 Å²	106.7	59%	0.588	61%	0.609	S	S	*	*	H	α-helix	trans	-70	-39.1	174.5	171	0	0	0	0	111.9	A17 I18 S25	A17-V21 WeakPolarHBondContact O-CB 3.5Å; A17-V21 WeakPolarHBondContact O-CG2 3.47Å; A17-V21 PolarHBondContact O-N 3.47Å; I18-V21 PolarHBondContact O-N 3.36Å; V21-S25 VanDerWaalsContact O-CB 3.25Å; V21-S25 WeakPolarHBondContact O-CB 3.29Å; V21-S25 PolarHBondContact O-N 2.96Å; V21-S25 PolarHBondContact O-OG 3.48Å
22	F	39.1	Very low	35.9	Very low	132 Å²	132	105.3 Å²	105.3	58%	0.579	60%	0.597	S	S	*	*	H	α-helix	trans	-71.8	-35.8	175	-91.2	-85.9	0	0	0	112.9	I18 S25 Q26	I18-F22 HydrophobicContact CG2-CD2 3.68Å; I18-F22 HydrophobicContact CG2-CE2 3.87Å; I18-F22 WeakPolarHBondContact O-CD2 3.45Å; I18-F22 PolarHBondContact O-N 3.47Å; F22-S25 PolarHBondContact O-OG 3.37Å; F22-Q26 WeakPolarHBondContact O-CB 3.4Å; F22-Q26 PolarHBondContact O-N 3.11Å
23	G	33.9	Very low	36	Very low	41 Å²	41	106.8 Å²	106.8	42%	0.423	60%	0.597	S	S	.	*	H	α-helix	trans	-65.6	-43.5	173.5	0	0	0	0	0	112.2	A19 F27	A19-G23 PolarHBondContact O-N 2.64Å; G23-F27 WeakPolarHBondContact O-CB 3.4Å; G23-F27 PolarHBondContact O-N 2.87Å
24	L	37.5	Very low	35.6	Very low	119 Å²	119	106.1 Å²	106.1	62%	0.623	59%	0.59	S	S	*	*	H	α-helix	trans	-71.2	-33.8	175.8	-74.5	166.1	0	0	0	112.7	T20 F27 S28	T20-L24 HydrophobicContact CG2-CD1 4.14Å; T20-L24 WeakPolarHBondContact O-CB 3.35Å; T20-L24 WeakPolarHBondContact O-CD1 3.23Å; T20-L24 VanDerWaalsContact O-CG 3.31Å; T20-L24 WeakPolarHBondContact O-CG 3.49Å; T20-L24 PolarHBondContact O-N 3.38Å; L24-F27 PolarHBondContact O-N 3.17Å; L24-S28 WeakPolarHBondContact O-CB 3.22Å; L24-S28 PolarHBondContact O-N 3.33Å
25	S	37.3	Very low	35.9	Very low	46 Å²	46	109.6 Å²	109.6	32%	0.322	59%	0.592	S	S	.	*	H	α-helix	trans	-71.1	-38	176.2	78.2	0	0	0	0	112	V21 F22 Q29	V21-S25 VanDerWaalsContact O-CB 3.25Å; V21-S25 WeakPolarHBondContact O-CB 3.29Å; V21-S25 PolarHBondContact O-N 2.96Å; V21-S25 PolarHBondContact O-OG 3.48Å; F22-S25 PolarHBondContact O-OG 3.37Å; S25-Q29 VanDerWaalsContact O-CB 3.26Å; S25-Q29 WeakPolarHBondContact O-CB 3.18Å; S25-Q29 VanDerWaalsContact O-CG 3.25Å; S25-Q29 WeakPolarHBondContact O-CG 3.49Å; S25-Q29 PolarHBondContact O-N 3.44Å
26	Q	36.8	Very low	35.9	Very low	132 Å²	132	112 Å²	112	62%	0.617	60%	0.598	S	S	*	*	H	α-helix	trans	-70.1	-35.3	172.5	-77.1	-158.2	-1.7	0	0	112.4	F22 Q29 Y30	F22-Q26 WeakPolarHBondContact O-CB 3.4Å; F22-Q26 PolarHBondContact O-N 3.11Å; Q26-Q29 PolarHBondContact O-N 3.46Å; Q26-Y30 VanDerWaalsContact O-CB 3.31Å; Q26-Y30 WeakPolarHBondContact O-CB 3.38Å; Q26-Y30 PolarHBondContact O-N 3.11Å
27	F	35.8	Very low	36.2	Very low	149 Å²	149	116.3 Å²	116.3	65%	0.654	60%	0.601	S	S	*	*	H	α-helix	trans	-70.6	-36.7	175.1	-147.1	-94	0	0	0	112.1	G23 L24 Y30 R31	G23-F27 WeakPolarHBondContact O-CB 3.4Å; G23-F27 PolarHBondContact O-N 2.87Å; L24-F27 PolarHBondContact O-N 3.17Å; F27-Y30 PolarHBondContact O-N 3.33Å; F27-R31 WeakPolarHBondContact O-CB 3.38Å; F27-R31 PolarHBondContact O-N 3.08Å
28	S	36.3	Very low	36.2	Very low	65 Å²	65	115.8 Å²	115.8	46%	0.455	59%	0.59	S	S	.	*	H	α-helix	trans	-66.1	-42.1	170.8	-176.6	0	0	0	0	111.8	L24 Y30 R31 N32	L24-S28 WeakPolarHBondContact O-CB 3.22Å; L24-S28 PolarHBondContact O-N 3.33Å; S28-Y30 VanDerWaalsContact C-N 3.34Å; S28-Y30 PolarHBondContact O-N 3.43Å; S28-R31 PolarHBondContact O-N 2.74Å; S28-N32 WeakPolarHBondContact O-CB 3.34Å; S28-N32 PolarHBondContact O-N 3.37Å
29	Q	37.7	Very low	36	Very low	131 Å²	131	120.2 Å²	120.2	61%	0.612	60%	0.601	S	S	*	*	H	α-helix	trans	-66.4	-32.6	173.8	-80.3	178.7	-10.2	0	0	113.2	S25 Q26 K33	S25-Q29 VanDerWaalsContact O-CB 3.26Å; S25-Q29 WeakPolarHBondContact O-CB 3.18Å; S25-Q29 VanDerWaalsContact O-CG 3.25Å; S25-Q29 WeakPolarHBondContact O-CG 3.49Å; S25-Q29 PolarHBondContact O-N 3.44Å; Q26-Q29 PolarHBondContact O-N 3.46Å; Q29-K33 PolarHBondContact O-N 3.41Å
30	Y	36.6	Very low	36.1	Very low	170 Å²	170	118.3 Å²	118.3	67%	0.667	58%	0.582	S	S	*	*	H	α-helix	trans	-72.3	-38.4	175	-168.4	-98.2	0	0	0	111.4	Q26 F27 S28 K33	Q26-Y30 VanDerWaalsContact O-CB 3.31Å; Q26-Y30 WeakPolarHBondContact O-CB 3.38Å; Q26-Y30 PolarHBondContact O-N 3.11Å; F27-Y30 PolarHBondContact O-N 3.33Å; S28-Y30 VanDerWaalsContact C-N 3.34Å; S28-Y30 PolarHBondContact O-N 3.43Å; Y30-K33 WeakPolarHBondContact O-CB 3.16Å; Y30-K33 PolarHBondContact O-N 3.44Å
31	R	32.7	Very low	35.8	Very low	204 Å²	204	123 Å²	123	77%	0.77	60%	0.598	S	S	*	*	H	α-helix	trans	-72.2	-30.7	177.6	-158.6	174.5	166.2	163.7	-3.1	113.1	F27 S28 K33	F27-R31 WeakPolarHBondContact O-CB 3.38Å; F27-R31 PolarHBondContact O-N 3.08Å; S28-R31 PolarHBondContact O-N 2.74Å; R31-K33 VanDerWaalsContact C-N 3.28Å; R31-K33 PolarHBondContact O-N 3.13Å
32	N	38	Very low	35.7	Very low	107 Å²	107	120.9 Å²	120.9	57%	0.572	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-2.3	172.9	-76.2	-4.3	0	0	0	114.1	S28 H34	S28-N32 WeakPolarHBondContact O-CB 3.34Å; S28-N32 PolarHBondContact O-N 3.37Å; N32-H34 VanDerWaalsContact C-N 3.31Å
33	K	33.2	Very low	36.1	Very low	174 Å²	174	117.2 Å²	117.2	76%	0.757	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-8.1	178.8	-125	179.9	-178.1	-176.9	0	113.5	Q29 Y30 R31	Q29-K33 PolarHBondContact O-N 3.41Å; Y30-K33 WeakPolarHBondContact O-CB 3.16Å; Y30-K33 PolarHBondContact O-N 3.44Å; R31-K33 VanDerWaalsContact C-N 3.28Å; R31-K33 PolarHBondContact O-N 3.13Å
34	H	29.7	Very low	36.5	Very low	145 Å²	145	123.5 Å²	123.5	67%	0.671	60%	0.603	S	S	*	*	S	Bend	trans	-105.5	113.9	167.2	-83	-50.6	0	0	0	109.3	N32	N32-H34 VanDerWaalsContact C-N 3.31Å
35	D	36.3	Very low	37	Very low	144 Å²	144	123.5 Å²	123.5	77%	0.77	61%	0.61	S	S	*	*			trans	37.8	88	158.5	-58.9	-32.4	0	0	0	116.2
36	T	31	Very low	37.7	Very low	99 Å²	99	122.8 Å²	122.8	61%	0.607	60%	0.604	S	S	*	*			trans	-135.4	83	155	9.3	0	0	0	0	108.4	V38	T36-V38 PolarHBondContact O-N 3.44Å
37	F	33.8	Very low	38.1	Very low	142 Å²	142	122.8 Å²	122.8	62%	0.623	61%	0.613	S	S	*	*			trans	-57.3	119.1	144.3	-75.5	-85.8	0	0	0	105.6	Y39	F37-Y39 WeakPolarHBondContact O-CD2 3.39Å; F37-Y39 PolarHBondContact O-N 3.37Å
38	V	35.7	Very low	38.9	Very low	67 Å²	67	118 Å²	118	41%	0.406	60%	0.596	S	S	.	*			trans	-64.2	105.2	-179	174.2	0	0	0	0	107	T36 V40 N186	T36-V38 PolarHBondContact O-N 3.44Å; V38-V40 PolarHBondContact O-N 3.48Å; V38-N186 WeakPolarHBondContact CG1-O 3.22Å
39	Y	33.8	Very low	39.7	Very low	203 Å²	203	120.7 Å²	120.7	80%	0.796	61%	0.612	S	S	*	*			trans	-70.3	109.2	170.9	-78	-87.6	0	0	0	108.1	F37	F37-Y39 WeakPolarHBondContact O-CD2 3.39Å; F37-Y39 PolarHBondContact O-N 3.37Å
40	V	39.6	Very low	40.8	Very low	30 Å²	30	118.1 Å²	118.1	18%	0.182	60%	0.602	C	S	.	*			trans	-67.1	140.3	152.1	-173.7	0	0	0	0	105	V38 A42 A145 E149	V38-V40 PolarHBondContact O-N 3.48Å; V40-A42 VanDerWaalsContact C-N 3.3Å; V40-A42 PolarHBondContact O-N 3.24Å; V40-A145 HydrophobicContact CG2-CB 4Å; V40-E149 WeakPolarHBondContact CB-OE2 3.12Å; V40-E149 WeakPolarHBondContact CG2-OE2 3.29Å; V40-E149 PolarHBondContact N-OE2 3Å; V40-E149 VanDerWaalsContact N-OE2 3.12Å
41	Q	34.7	Very low	42.1	Very low	185 Å²	185	114.8 Å²	114.8	86%	0.864	59%	0.591	S	S	*	*			trans	-65.2	97.9	176.7	-169	174.2	-6.1	0	0	107.5	A43	Q41-A43 PolarHBondContact O-N 2.97Å
42	A	40.5	Very low	43.6	Very low	54 Å²	54	112.7 Å²	112.7	45%	0.446	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-55.2	137.7	178.8	0	0	0	0	0	109.5	V40	V40-A42 VanDerWaalsContact C-N 3.3Å; V40-A42 PolarHBondContact O-N 3.24Å
43	A	47	Very low	45.2	Very low	54 Å²	54	114.7 Å²	114.7	45%	0.446	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-58.3	155.4	170.1	0	0	0	0	0	109.8	Q41	Q41-A43 PolarHBondContact O-N 2.97Å
44	E	42.9	Very low	47.5	Very low	174 Å²	174	108.6 Å²	108.6	81%	0.813	57%	0.569	S	S	*	*	S	Bend	trans	-50.4	135.6	-179.8	-69.6	-170.7	165.4	0	0	111.7	V46	E44-V46 PolarHBondContact O-N 3.08Å
45	P	48.6	Very low	50.4	Low	118 Å²	118	102.2 Å²	102.2	77%	0.766	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-57.2	130.5	-173.2	20	-30.6	0	0	0	111.3	T47	P45-T47 PolarHBondContact O-N 2.68Å; P45-T47 VanDerWaalsContact O-N 3.15Å
46	V	50.2	Low	53.2	Low	31 Å²	31	98.4 Å²	98.4	19%	0.188	52%	0.522	C	S	.	.			trans	-74.8	104.6	-176.7	178.8	0	0	0	0	110	E44 V48 Y239 R463	E44-V46 PolarHBondContact O-N 3.08Å; V46-V48 HydrophobicContact CG1-CB 4.05Å; V46-V48 HydrophobicContact CG1-CG2 3.47Å; V46-V48 VanDerWaalsContact CG1-CG2 3.47Å; V46-V48 PolarHBondContact O-N 2.69Å; V46-Y239 HydrophobicContact CG1-CE1 3.92Å; V46-R463 HydrophobicContact CG2-CB 4.27Å
47	T	46	Very low	56.2	Low	132 Å²	132	94 Å²	94	81%	0.81	50%	0.495	S	S	*	.			trans	-81.1	62.1	172	58.4	0	0	0	0	111.2	P45	P45-T47 PolarHBondContact O-N 2.68Å; P45-T47 VanDerWaalsContact O-N 3.15Å
48	V	52.9	Low	59.1	Low	49 Å²	49	91.4 Å²	91.4	30%	0.297	48%	0.484	S	S	.	.			trans	-97.8	137	166.2	177	0	0	0	0	107.3	V46 I50 Y239	V46-V48 HydrophobicContact CG1-CB 4.05Å; V46-V48 HydrophobicContact CG1-CG2 3.47Å; V46-V48 VanDerWaalsContact CG1-CG2 3.47Å; V46-V48 PolarHBondContact O-N 2.69Å; V48-I50 WeakPolarHBondContact O-CG1 3.3Å; V48-I50 PolarHBondContact O-N 3.04Å; V48-Y239 HydrophobicContact CB-CD1 4.06Å; V48-Y239 HydrophobicContact CB-CE1 3.98Å; V48-Y239 HydrophobicContact CG1-CD1 4.04Å; V48-Y239 HydrophobicContact CG1-CE1 4.45Å; V48-Y239 HydrophobicContact CG2-CD1 4.45Å; V48-Y239 HydrophobicContact CG2-CE1 4.38Å
49	P	52.6	Low	62	Low	122 Å²	122	92 Å²	92	79%	0.792	48%	0.482	S	S	*	.			trans	-61.5	103.9	176.7	-17.4	29.4	0	0	0	110.1	K51	P49-K51 PolarHBondContact O-N 3.38Å
50	I	62.1	Low	65	Low	76 Å²	76	82.6 Å²	82.6	39%	0.39	45%	0.446	S	S	.	.			trans	-73.5	125.4	177	-61	-175.3	0	0	0	107.8	V48 N52 R238	V48-I50 WeakPolarHBondContact O-CG1 3.3Å; V48-I50 PolarHBondContact O-N 3.04Å; I50-N52 PolarHBondContact O-N 3.24Å; I50-R238 HydrophobicContact CG2-CG 3.57Å
51	K	62.4	Low	67.7	Low	100 Å²	100	81.9 Å²	81.9	44%	0.435	44%	0.441	S	S	.	.			trans	-65.5	132.6	173.9	-70.5	-178.8	-178.7	174.9	0	109.8	P49 Y53 R238	P49-K51 PolarHBondContact O-N 3.38Å; K51-Y53 VanDerWaalsContact C-N 3.27Å; K51-Y53 PolarHBondContact O-N 2.72Å; K51-R238 PolarHBondContact O-NH1 2.96Å
52	N	65.4	Low	70.7	Confident	160 Å²	160	78.1 Å²	78.1	86%	0.856	43%	0.426	S	S	*	.	S	Bend	trans	-70.4	-19.6	179.9	-72.7	-17.5	0	0	0	113.8	I50	I50-N52 PolarHBondContact O-N 3.24Å
53	Y	71.1	Confident	73.4	Confident	150 Å²	150	78.2 Å²	78.2	59%	0.588	42%	0.422	S	S	*	.	S	Bend	trans	-127.8	147.4	177.9	71.6	-88.4	0	0	0	111.2	K51	K51-Y53 VanDerWaalsContact C-N 3.27Å; K51-Y53 PolarHBondContact O-N 2.72Å
54	F	82.1	Confident	75.8	Confident	46 Å²	46	75.7 Å²	75.7	20%	0.202	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-74.9	129.9	173.2	-82.5	-65.6	0	0	0	110.8	L234 R238 E470	F54-L234 HydrophobicContact CE1-CB 3.92Å; F54-L234 HydrophobicContact CE1-CD2 4.34Å; F54-L234 WeakPolarHBondContact CE1-O 3.43Å; F54-L234 HydrophobicContact CZ-CB 3.92Å; F54-R238 HydrophobicContact CE1-CB 3.95Å; F54-R238 VanDerWaalsContact CZ-NH2 3.3Å; F54-E470 HydrophobicContact CE2-CG 4.23Å; F54-E470 VanDerWaalsContact CE2-OE1 3.29Å; F54-E470 WeakPolarHBondContact CE2-OE1 3.19Å; F54-E470 HydrophobicContact CZ-CG 3.88Å; F54-E470 WeakPolarHBondContact CZ-OE2 3.07Å
55	P	90.7	Very high	78.3	Confident	11 Å²	11	70.8 Å²	70.8	7%	0.071	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-63.8	140.3	170.7	28.1	-33.6	0	0	0	109.7	Q59 Q60 Y544	P55-Q59 VanDerWaalsContact CA-OE1 3.23Å; P55-Q59 HydrophobicContact CB-CB 4.2Å; P55-Q60 HydrophobicContact CB-CG 4.36Å; P55-Q60 HydrophobicContact CG-CG 4.21Å; P55-Y544 WeakPolarHBondContact O-CE1 3.32Å; P55-Y544 PolarHBondContact O-OH 2.89Å
56	T	94.1	Very high	80.6	Confident	63 Å²	63	69.8 Å²	69.8	39%	0.387	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-68.5	162.2	175.5	78.9	0	0	0	0	110.6	E58 Q59 Q60	T56-E58 VanDerWaalsContact CB-OE2 3.22Å; T56-E58 WeakPolarHBondContact CB-OE2 3.39Å; T56-E58 PolarHBondContact O-N 3.17Å; T56-E58 PolarHBondContact OG1-N 2.73Å; T56-E58 PolarHBondContact OG1-OE2 3.24Å; T56-Q59 WeakPolarHBondContact O-CB 3.3Å; T56-Q59 PolarHBondContact O-N 2.92Å; T56-Q59 VanDerWaalsContact O-N 3.08Å; T56-Q59 PolarHBondContact OG1-N 2.9Å; T56-Q60 WeakPolarHBondContact O-CG 3.47Å; T56-Q60 PolarHBondContact O-N 2.86Å
57	R	94.8	Very high	82.8	Confident	8 Å²	8	69.6 Å²	69.6	3%	0.03	37%	0.372	C	S	.	.	H	α-helix	trans	-56	-38.8	176.3	-175.6	-174.9	174	-91.6	-0.6	111.5	Q60 L61 N245 Y246 D272 Y544 R546	R57-Q60 WeakPolarHBondContact O-CB 3.48Å; R57-Q60 PolarHBondContact O-N 2.76Å; R57-L61 VanDerWaalsContact NH1-CD1 3.28Å; R57-L61 PolarHBondContact O-N 2.88Å; R57-N245 WeakPolarHBondContact CD-OD1 3.43Å; R57-N245 PolarHBondContact NE-O 3.11Å; R57-N245 PolarHBondContact NE-OD1 2.99Å; R57-N245 PolarHBondContact NH2-O 3.33Å; R57-Y246 PolarHBondContact NH2-O 2.84Å; R57-D272 IonicContact CZ-OD1 2.73Å; R57-D272 IonicContact CZ-OD2 2.72Å; R57-D272 IonicContact NH1-OD1 3.6Å; R57-D272 IonicContact NH1-OD2 3.89Å; R57-D272 PolarHBondContact NH1-OD2 3.14Å; R57-D272 VanDerWaalsContact NH2-CG 3.33Å; R57-D272 IonicContact NH2-OD1 2.9Å; R57-D272 PolarHBondContact NH2-OD1 3.35Å; R57-D272 IonicContact NH2-OD2 3.24Å; R57-Y544 HydrophobicContact CB-CD1 4.08Å; R57-R546 VanDerWaalsContact CB-NH2 3.31Å
58	E	94.9	Very high	85.2	Confident	86 Å²	86	68 Å²	68	40%	0.402	37%	0.366	S	S	.	.	H	α-helix	trans	-64.7	-41	178.9	-58.3	72.5	-156.2	0	0	110.9	T56 Q60 L61 L62 R546	T56-E58 VanDerWaalsContact CB-OE2 3.22Å; T56-E58 WeakPolarHBondContact CB-OE2 3.39Å; T56-E58 PolarHBondContact O-N 3.17Å; T56-E58 PolarHBondContact OG1-N 2.73Å; T56-E58 PolarHBondContact OG1-OE2 3.24Å; E58-Q60 VanDerWaalsContact C-N 3.31Å; E58-Q60 PolarHBondContact O-N 3.49Å; E58-L61 PolarHBondContact O-N 2.81Å; E58-L62 WeakPolarHBondContact O-CB 3.31Å; E58-L62 VanDerWaalsContact O-CG 3.29Å; E58-L62 WeakPolarHBondContact O-CG 3.41Å; E58-L62 PolarHBondContact O-N 3.01Å; E58-R546 IonicContact OE1-CZ 3.83Å; E58-R546 IonicContact OE1-NH1 3.84Å; E58-R546 PolarHBondContact OE1-NH1 2.82Å; E58-R546 IonicContact OE1-NH2 2.74Å; E58-R546 PolarHBondContact OE1-NH2 2.75Å; E58-R546 IonicContact OE2-NH2 2.75Å
59	Q	95.6	Very high	87.3	Confident	79 Å²	79	69.7 Å²	69.7	37%	0.369	37%	0.371	S	S	.	.	H	α-helix	trans	-65.3	-35.3	173.5	-68.4	174.1	-22.9	0	0	112.1	P55 T56 T63	P55-Q59 VanDerWaalsContact CA-OE1 3.23Å; P55-Q59 HydrophobicContact CB-CB 4.2Å; T56-Q59 WeakPolarHBondContact O-CB 3.3Å; T56-Q59 PolarHBondContact O-N 2.92Å; T56-Q59 VanDerWaalsContact O-N 3.08Å; T56-Q59 PolarHBondContact OG1-N 2.9Å; Q59-T63 WeakPolarHBondContact O-CB 3.47Å; Q59-T63 PolarHBondContact O-N 2.91Å; Q59-T63 PolarHBondContact O-OG1 3.18Å
60	Q	96.6	Very high	89.5	Confident	7 Å²	7	64 Å²	64	3%	0.033	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-46.3	173.9	-64.4	-72.8	31.4	0	0	111.5	P55 T56 R57 E58 L62 T63 L64 A241 T243	P55-Q60 HydrophobicContact CB-CG 4.36Å; P55-Q60 HydrophobicContact CG-CG 4.21Å; T56-Q60 WeakPolarHBondContact O-CG 3.47Å; T56-Q60 PolarHBondContact O-N 2.86Å; R57-Q60 WeakPolarHBondContact O-CB 3.48Å; R57-Q60 PolarHBondContact O-N 2.76Å; E58-Q60 VanDerWaalsContact C-N 3.31Å; E58-Q60 PolarHBondContact O-N 3.49Å; Q60-L62 PolarHBondContact O-N 3.26Å; Q60-T63 WeakPolarHBondContact O-CB 3.27Å; Q60-T63 PolarHBondContact O-N 2.78Å; Q60-T63 VanDerWaalsContact O-N 3.11Å; Q60-L64 WeakPolarHBondContact O-CG 3.41Å; Q60-L64 PolarHBondContact O-N 2.89Å; Q60-A241 PolarHBondContact NE2-O 3.19Å; Q60-T243 VanDerWaalsContact CB-O 3.3Å; Q60-T243 WeakPolarHBondContact CB-O 3.48Å; Q60-T243 WeakPolarHBondContact CG-O 3.34Å; Q60-T243 PolarHBondContact NE2-OG1 3.26Å
61	L	97.1	Very high	91.2	Very high	14 Å²	14	61.9 Å²	61.9	7%	0.073	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-43.6	174.8	-74.3	176.6	0	0	0	112.4	R57 E58 T63 L64 Q65 A244 D272 F279	R57-L61 VanDerWaalsContact NH1-CD1 3.28Å; R57-L61 PolarHBondContact O-N 2.88Å; E58-L61 PolarHBondContact O-N 2.81Å; L61-T63 VanDerWaalsContact C-N 3.26Å; L61-T63 PolarHBondContact O-N 2.92Å; L61-L64 HydrophobicContact CD2-CD1 4.25Å; L61-L64 WeakPolarHBondContact O-CB 3.25Å; L61-L64 PolarHBondContact O-N 3.36Å; L61-L64 VanDerWaalsContact O-N 3.17Å; L61-Q65 WeakPolarHBondContact O-CG 3.44Å; L61-Q65 PolarHBondContact O-N 2.72Å; L61-A244 HydrophobicContact CD2-CB 3.93Å; L61-D272 WeakPolarHBondContact CD1-OD2 3.33Å; L61-F279 HydrophobicContact CD2-CE1 4.39Å; L61-F279 HydrophobicContact CD2-CZ 3.99Å
62	L	96.9	Very high	93	Very high	106 Å²	106	57.2 Å²	57.2	56%	0.555	30%	0.303	S	S	*	.	H	α-helix	trans	-60.2	-39	174.2	-73.2	170.8	0	0	0	111.4	E58 Q60 Q65 S66	E58-L62 WeakPolarHBondContact O-CB 3.31Å; E58-L62 VanDerWaalsContact O-CG 3.29Å; E58-L62 WeakPolarHBondContact O-CG 3.41Å; E58-L62 PolarHBondContact O-N 3.01Å; Q60-L62 PolarHBondContact O-N 3.26Å; L62-Q65 PolarHBondContact O-N 2.89Å; L62-S66 VanDerWaalsContact O-CB 3.23Å; L62-S66 WeakPolarHBondContact O-CB 3.43Å; L62-S66 PolarHBondContact O-N 2.98Å; L62-S66 PolarHBondContact O-OG 3.25Å
63	T	96.8	Very high	94.5	Very high	57 Å²	57	49.6 Å²	49.6	35%	0.35	26%	0.262	S	S	.	.	H	α-helix	trans	-65.2	-41.4	175.8	-56.9	0	0	0	0	111.3	Q59 Q60 L61 Q65 T67 A242	Q59-T63 WeakPolarHBondContact O-CB 3.47Å; Q59-T63 PolarHBondContact O-N 2.91Å; Q59-T63 PolarHBondContact O-OG1 3.18Å; Q60-T63 WeakPolarHBondContact O-CB 3.27Å; Q60-T63 PolarHBondContact O-N 2.78Å; Q60-T63 VanDerWaalsContact O-N 3.11Å; L61-T63 VanDerWaalsContact C-N 3.26Å; L61-T63 PolarHBondContact O-N 2.92Å; T63-Q65 VanDerWaalsContact C-N 3.34Å; T63-Q65 PolarHBondContact O-N 2.93Å; T63-T67 WeakPolarHBondContact O-CB 3.44Å; T63-T67 PolarHBondContact O-N 3.12Å; T63-T67 VanDerWaalsContact O-N 3.08Å; T63-T67 PolarHBondContact O-OG1 2.91Å; T63-A242 HydrophobicContact CG2-CB 3.89Å
64	L	97.3	Very high	95.9	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-40.9	175.3	-70.2	166.8	0	0	0	112.1	Q60 L61 F70 A96 L98 A242 A244 F279 V281	Q60-L64 WeakPolarHBondContact O-CG 3.41Å; Q60-L64 PolarHBondContact O-N 2.89Å; L61-L64 HydrophobicContact CD2-CD1 4.25Å; L61-L64 WeakPolarHBondContact O-CB 3.25Å; L61-L64 PolarHBondContact O-N 3.36Å; L61-L64 VanDerWaalsContact O-N 3.17Å; L64-F70 HydrophobicContact CD2-CE2 4.25Å; L64-F70 HydrophobicContact CD2-CZ 4.02Å; L64-A96 HydrophobicContact CD2-CB 3.56Å; L64-L98 HydrophobicContact CD1-CD2 3.55Å; L64-L98 HydrophobicContact CD2-CD2 3.97Å; L64-L98 HydrophobicContact CG-CD2 4.41Å; L64-A242 HydrophobicContact CD2-CB 3.75Å; L64-A242 HydrophobicContact CG-CB 4.01Å; L64-A244 HydrophobicContact CD1-CB 3.55Å; L64-F279 HydrophobicContact CB-CE2 4.09Å; L64-V281 HydrophobicContact CB-CG2 4.2Å; L64-V281 HydrophobicContact CD2-CG1 4.45Å; L64-V281 HydrophobicContact CD2-CG2 4.41Å
65	Q	96.1	Very high	96.7	Very high	70 Å²	70	40.7 Å²	40.7	33%	0.327	23%	0.227	S	C	.	.	H	α-helix	trans	-79	-35.8	-178.3	-68.1	173.4	15	0	0	113.7	L61 L62 T63 F279	L61-Q65 WeakPolarHBondContact O-CG 3.44Å; L61-Q65 PolarHBondContact O-N 2.72Å; L62-Q65 PolarHBondContact O-N 2.89Å; T63-Q65 VanDerWaalsContact C-N 3.34Å; T63-Q65 PolarHBondContact O-N 2.93Å; Q65-F279 HydrophobicContact CG-CB 4.18Å; Q65-F279 HydrophobicContact CG-CD1 4.25Å; Q65-F279 HydrophobicContact CG-CD2 3.63Å; Q65-F279 HydrophobicContact CG-CE2 4.01Å; Q65-F279 HydrophobicContact CG-CG 3.76Å; Q65-F279 HydrophobicContact CG-CZ 4.48Å
66	S	96.2	Very high	97	Very high	97 Å²	97	40.5 Å²	40.5	68%	0.678	23%	0.227	S	C	*	.	H	α-helix	trans	-88.2	-20.4	-175	60	0	0	0	0	113.8	L62 S68	L62-S66 VanDerWaalsContact O-CB 3.23Å; L62-S66 WeakPolarHBondContact O-CB 3.43Å; L62-S66 PolarHBondContact O-N 2.98Å; L62-S66 PolarHBondContact O-OG 3.25Å; S66-S68 PolarHBondContact O-N 3.46Å
67	T	97.1	Very high	97.2	Very high	28 Å²	28	37.5 Å²	37.5	17%	0.172	21%	0.208	C	C	.	.			trans	-72.4	120.3	178.3	-66	0	0	0	0	110.1	T63 E69 F70 K94	T63-T67 WeakPolarHBondContact O-CB 3.44Å; T63-T67 PolarHBondContact O-N 3.12Å; T63-T67 VanDerWaalsContact O-N 3.08Å; T63-T67 PolarHBondContact O-OG1 2.91Å; T67-E69 VanDerWaalsContact C-N 3.32Å; T67-E69 PolarHBondContact O-N 3.04Å; T67-F70 VanDerWaalsContact CB-CE2 3.5Å; T67-F70 VanDerWaalsContact CB-CZ 3.49Å; T67-F70 HydrophobicContact CG2-CD1 4.21Å; T67-F70 HydrophobicContact CG2-CD2 3.81Å; T67-F70 HydrophobicContact CG2-CE1 3.96Å; T67-F70 HydrophobicContact CG2-CE2 3.56Å; T67-F70 HydrophobicContact CG2-CG 4.13Å; T67-F70 HydrophobicContact CG2-CZ 3.62Å; T67-K94 HydrophobicContact CG2-CD 3.72Å
68	S	95.9	Very high	97.4	Very high	97 Å²	97	37.9 Å²	37.9	68%	0.678	22%	0.215	S	C	*	.	S	Bend	trans	-59.7	-39.9	-177	59.6	0	0	0	0	113.9	S66	S66-S68 PolarHBondContact O-N 3.46Å
69	E	97.8	Very high	97.5	Very high	85 Å²	85	34 Å²	34	40%	0.397	20%	0.197	S	C	.	.			trans	-162.6	134.6	178.9	-169.8	175	-108.6	0	0	109.9	T67 K94 K282 K284	T67-E69 VanDerWaalsContact C-N 3.32Å; T67-E69 PolarHBondContact O-N 3.04Å; E69-K94 WeakPolarHBondContact O-CD 3.4Å; E69-K282 HydrophobicContact CG-CB 4.47Å; E69-K284 HydrophobicContact CG-CG 4.22Å; E69-K284 WeakPolarHBondContact OE2-CE 3.49Å
70	F	98.6	Very high	97.6	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.018	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	155.7	170.4	-70	-91.4	0	0	0	110.8	L64 T67 K94 A96 A242 V281 K282 A283 K284	L64-F70 HydrophobicContact CD2-CE2 4.25Å; L64-F70 HydrophobicContact CD2-CZ 4.02Å; T67-F70 VanDerWaalsContact CB-CE2 3.5Å; T67-F70 VanDerWaalsContact CB-CZ 3.49Å; T67-F70 HydrophobicContact CG2-CD1 4.21Å; T67-F70 HydrophobicContact CG2-CD2 3.81Å; T67-F70 HydrophobicContact CG2-CE1 3.96Å; T67-F70 HydrophobicContact CG2-CE2 3.56Å; T67-F70 HydrophobicContact CG2-CG 4.13Å; T67-F70 HydrophobicContact CG2-CZ 3.62Å; F70-K94 HydrophobicContact CD1-CD 4.2Å; F70-K94 HydrophobicContact CD1-CG 3.7Å; F70-K94 HydrophobicContact CE1-CG 4.2Å; F70-K94 HydrophobicContact CG-CG 4.46Å; F70-A96 HydrophobicContact CD1-CB 3.71Å; F70-A96 HydrophobicContact CD2-CB 4.09Å; F70-A96 HydrophobicContact CE1-CB 3.85Å; F70-A96 HydrophobicContact CE2-CB 4.19Å; F70-A96 HydrophobicContact CG-CB 3.86Å; F70-A96 HydrophobicContact CZ-CB 4.09Å; F70-A242 HydrophobicContact CE1-CB 3.83Å; F70-A242 HydrophobicContact CZ-CB 3.96Å; F70-V281 HydrophobicContact CD2-CG1 3.76Å; F70-V281 HydrophobicContact CE2-CG1 3.9Å; F70-K282 PolarHBondContact N-O 2.89Å; F70-A283 HydrophobicContact CB-CB 4.06Å; F70-A283 CarbonylContact O-C 3.43Å; F70-A283 WeakPolarHBondContact O-CA 3.39Å; F70-K284 PolarHBondContact O-N 3.24Å
71	D	98.5	Very high	97.7	Very high	31 Å²	31	31.1 Å²	31.1	17%	0.166	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-44.7	169.4	-62.5	-48.8	0	0	0	109.9	L93 K94 K284 C285 F457	D71-L93 HydrophobicContact CB-CB 4.22Å; D71-L93 HydrophobicContact CB-CD2 4.06Å; D71-K94 HydrophobicContact CB-CB 4.49Å; D71-K94 PolarHBondContact N-O 2.77Å; D71-K94 WeakPolarHBondContact OD2-CB 3.46Å; D71-K94 PolarHBondContact OD2-N 2.96Å; D71-K284 IonicContact OD1-NZ 3.76Å; D71-K284 PolarHBondContact OD1-NZ 2.96Å; D71-C285 PolarHBondContact O-N 3.38Å; D71-F457 HydrophobicContact CB-CE1 4.05Å; D71-F457 HydrophobicContact CB-CZ 4.24Å; D71-F457 VanDerWaalsContact O-CZ 3.28Å; D71-F457 WeakPolarHBondContact O-CZ 3.35Å
72	V	98.6	Very high	97.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129.3	-179.1	179.3	0	0	0	0	110.6	V74 L93 K94 T95 A96 C285 I287 F457	V72-V74 HydrophobicContact CG1-CG2 3.9Å; V72-L93 HydrophobicContact CG2-CD1 3.88Å; V72-K94 PolarHBondContact N-O 3.37Å; V72-T95 CarbonylContact O-C 3.55Å; V72-T95 WeakPolarHBondContact O-CA 3.39Å; V72-A96 PolarHBondContact O-N 3.26Å; V72-C285 WeakPolarHBondContact CA-O 3.49Å; V72-C285 HydrophobicContact CG2-CB 4.43Å; V72-I287 HydrophobicContact CG1-CD1 3.48Å; V72-I287 VanDerWaalsContact CG1-CD1 3.48Å; V72-I287 HydrophobicContact CG1-CG1 3.98Å; V72-F457 HydrophobicContact CG2-CE2 4.13Å
73	L	98.8	Very high	97.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.5	166.6	168.7	61.9	0	0	0	109.4	A96 L98 A268 V281 A283 C285 V286 I287	L73-A96 HydrophobicContact CD1-CB 3.74Å; L73-L98 HydrophobicContact CD1-CD1 3.75Å; L73-L98 HydrophobicContact CD1-CG 3.75Å; L73-A268 HydrophobicContact CD2-CB 3.7Å; L73-V281 HydrophobicContact CD1-CG1 4.13Å; L73-V281 HydrophobicContact CD2-CB 4.46Å; L73-V281 HydrophobicContact CD2-CG1 4.19Å; L73-A283 HydrophobicContact CB-CB 3.49Å; L73-A283 VanDerWaalsContact CB-CB 3.49Å; L73-C285 PolarHBondContact N-O 3.16Å; L73-V286 HydrophobicContact CB-CG2 4.34Å; L73-V286 HydrophobicContact CD2-CG1 4.49Å; L73-V286 HydrophobicContact CD2-CG2 4.22Å; L73-V286 CarbonylContact O-C 3.36Å; L73-V286 WeakPolarHBondContact O-CA 3.21Å; L73-I287 PolarHBondContact O-N 3.25Å
74	V	98.9	Very high	98	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.3	175.8	-172.3	0	0	0	0	110	V72 C84 A85 A96 L97 L98 I287 A289	V72-V74 HydrophobicContact CG1-CG2 3.9Å; V74-C84 HydrophobicContact CG1-CB 4.19Å; V74-C84 HydrophobicContact CG2-CB 4.16Å; V74-A85 HydrophobicContact CG2-CB 4.41Å; V74-A96 PolarHBondContact N-O 3.14Å; V74-L97 HydrophobicContact CB-CD1 3.83Å; V74-L97 HydrophobicContact CG1-CD1 3.81Å; V74-L97 WeakPolarHBondContact O-CA 3.36Å; V74-L98 PolarHBondContact O-N 2.92Å; V74-I287 HydrophobicContact CG2-CB 4.4Å; V74-I287 HydrophobicContact CG2-CD1 4.39Å; V74-A289 HydrophobicContact CG1-CB 4.26Å
75	I	98.8	Very high	98.1	Very high	10 Å²	10	22.9 Å²	22.9	5%	0.051	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.7	177.1	-50.6	176	0	0	0	108.8	V249 L252 V286 I287 A289 T290 V297	I75-V249 HydrophobicContact CD1-CB 4.42Å; I75-V249 HydrophobicContact CD1-CG1 4.12Å; I75-V249 HydrophobicContact CD1-CG2 4.04Å; I75-V249 HydrophobicContact CG1-CG2 4.1Å; I75-V249 HydrophobicContact CG2-CB 4.3Å; I75-V249 HydrophobicContact CG2-CG2 3.97Å; I75-L252 HydrophobicContact CD1-CD2 4.05Å; I75-V286 HydrophobicContact CD1-CG1 3.63Å; I75-V286 HydrophobicContact CG1-CG1 4.14Å; I75-I287 PolarHBondContact N-O 2.94Å; I75-A289 CarbonylContact O-C 3.57Å; I75-A289 WeakPolarHBondContact O-CA 3.38Å; I75-A289 PolarHBondContact O-N 2.9Å; I75-T290 HydrophobicContact CB-CG2 4.27Å; I75-T290 HydrophobicContact CG2-CG2 3.67Å; I75-T290 WeakPolarHBondContact O-CG2 3.38Å; I75-V297 HydrophobicContact CD1-CG1 4.22Å
76	G	98.6	Very high	98.2	Very high	6 Å²	6	19.8 Å²	19.8	6%	0.062	13%	0.127	C	C	.	.			trans	110.3	117.2	-179.6	0	0	0	0	0	112.8	G81 L97 L98	G76-G81 VanDerWaalsContact O-CA 3.26Å; G76-G81 WeakPolarHBondContact O-CA 3.41Å; G76-L97 WeakPolarHBondContact O-CD1 3.28Å; G76-L98 PolarHBondContact N-O 3.46Å
77	G	98.4	Very high	98.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.095	C	C	.	.			trans	-96.5	31.2	179.6	0	0	0	0	0	114.5	C82 E99 S104 N229	G77-C82 VanDerWaalsContact C-SG 3.52Å; G77-C82 PolarHBondContact O-SG 3.46Å; G77-E99 PolarHBondContact N-OE2 3.49Å; G77-S104 PolarHBondContact O-N 3.09Å; G77-N229 PolarHBondContact O-ND2 3.36Å
78	G	98.2	Very high	98.3	Very high	17 Å²	17	13.9 Å²	13.9	18%	0.175	9%	0.086	C	C	.	.	S	Bend	trans	-83	179.4	164.6	0	0	0	0	0	112.1	T80 G81 C82 N229	G78-T80 PolarHBondContact O-N 3.02Å; G78-T80 VanDerWaalsContact O-N 3.11Å; G78-G81 PolarHBondContact O-N 3.03Å; G78-G81 VanDerWaalsContact O-N 3.07Å; G78-C82 WeakPolarHBondContact O-CB 3.47Å; G78-C82 PolarHBondContact O-N 3.34Å; G78-C82 PolarHBondContact O-SG 2.89Å; G78-C82 VanDerWaalsContact O-SG 3.41Å; G78-N229 PolarHBondContact O-OD1 3.34Å
79	A	97.8	Very high	98.4	Very high	3 Å²	3	10 Å²	10	3%	0.025	6%	0.059	C	C	.	.	H	α-helix	trans	-51.5	-41.6	-175.3	0	0	0	0	0	113	G83 S108 N229 W437 Y440	A79-G83 PolarHBondContact O-N 3.49Å; A79-S108 PolarHBondContact N-OG 2.85Å; A79-N229 WeakPolarHBondContact CA-OD1 3.44Å; A79-N229 PolarHBondContact N-OD1 3.47Å; A79-W437 HydrophobicContact CB-CZ2 4.38Å; A79-Y440 HydrophobicContact CB-CG 4.48Å; A79-Y440 WeakPolarHBondContact O-CD2 3.3Å
80	T	97.7	Very high	98.3	Very high	27 Å²	27	6.1 Å²	6.1	17%	0.166	4%	0.041	C	C	.	.	H	α-helix	trans	-62.1	-55	177.1	-51.1	0	0	0	0	112	G78 G83 C84 A289 I432 M443	G78-T80 PolarHBondContact O-N 3.02Å; G78-T80 VanDerWaalsContact O-N 3.11Å; T80-G83 PolarHBondContact O-N 2.78Å; T80-C84 PolarHBondContact O-N 2.72Å; T80-C84 PolarHBondContact O-SG 2.69Å; T80-A289 HydrophobicContact CG2-CB 4.07Å; T80-I432 HydrophobicContact CG2-CB 4.3Å; T80-I432 HydrophobicContact CG2-CG1 3.65Å; T80-I432 HydrophobicContact CG2-CG2 3.56Å; T80-M443 HydrophobicContact CG2-CE 3.83Å; T80-M443 VanDerWaalsContact OG1-CE 3.28Å; T80-M443 WeakPolarHBondContact OG1-CE 3.5Å
81	G	98.5	Very high	98.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-74.3	-34.9	-174.8	0	0	0	0	0	113.6	G76 G78 G83 C84 A85	G76-G81 VanDerWaalsContact O-CA 3.26Å; G76-G81 WeakPolarHBondContact O-CA 3.41Å; G78-G81 PolarHBondContact O-N 3.03Å; G78-G81 VanDerWaalsContact O-N 3.07Å; G81-G83 VanDerWaalsContact C-N 3.3Å; G81-G83 PolarHBondContact O-N 2.98Å; G81-C84 PolarHBondContact O-N 2.9Å; G81-A85 WeakPolarHBondContact O-CB 3.32Å; G81-A85 PolarHBondContact O-N 3.4Å
82	C	98.8	Very high	98	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.3	-42.2	168.5	-65.9	0	0	0	0	111	G77 G78 A85 L86 N229 I232 A233	G77-C82 VanDerWaalsContact C-SG 3.52Å; G77-C82 PolarHBondContact O-SG 3.46Å; G78-C82 WeakPolarHBondContact O-CB 3.47Å; G78-C82 PolarHBondContact O-N 3.34Å; G78-C82 PolarHBondContact O-SG 2.89Å; G78-C82 VanDerWaalsContact O-SG 3.41Å; C82-A85 PolarHBondContact O-N 2.92Å; C82-L86 WeakPolarHBondContact O-CB 3.36Å; C82-L86 PolarHBondContact O-N 3.02Å; C82-N229 PolarHBondContact SG-OD1 3.34Å; C82-N229 VanDerWaalsContact SG-OD1 3.39Å; C82-I232 VanDerWaalsContact C-CG2 3.48Å; C82-I232 HydrophobicContact CB-CB 4.16Å; C82-I232 HydrophobicContact CB-CG2 3.67Å; C82-I232 WeakPolarHBondContact O-CG2 3.39Å; C82-A233 HydrophobicContact CB-CB 4.43Å
83	G	98.5	Very high	98	Very high	4 Å²	4	8.6 Å²	8.6	4%	0.041	7%	0.067	C	C	.	.	H	α-helix	trans	-60.6	-47.9	173.7	0	0	0	0	0	112.5	A79 T80 G81 A85 L86 D87	A79-G83 PolarHBondContact O-N 3.49Å; T80-G83 PolarHBondContact O-N 2.78Å; G81-G83 VanDerWaalsContact C-N 3.3Å; G81-G83 PolarHBondContact O-N 2.98Å; G83-A85 VanDerWaalsContact C-N 3.31Å; G83-A85 PolarHBondContact O-N 3.44Å; G83-L86 PolarHBondContact O-N 3.34Å; G83-D87 WeakPolarHBondContact O-CB 3.3Å; G83-D87 PolarHBondContact O-N 3.16Å
84	C	98.8	Very high	97.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.3	-42.7	176.3	-68.8	0	0	0	0	111.5	V74 T80 G81 D87 A88 I448	V74-C84 HydrophobicContact CG1-CB 4.19Å; V74-C84 HydrophobicContact CG2-CB 4.16Å; T80-C84 PolarHBondContact O-N 2.72Å; T80-C84 PolarHBondContact O-SG 2.69Å; G81-C84 PolarHBondContact O-N 2.9Å; C84-D87 PolarHBondContact O-N 3.24Å; C84-A88 VanDerWaalsContact O-CB 3.23Å; C84-A88 WeakPolarHBondContact O-CB 3.4Å; C84-A88 PolarHBondContact O-N 3.07Å; C84-I448 HydrophobicContact CB-CD1 4.11Å; C84-I448 HydrophobicContact CB-CG1 4.47Å
85	A	98.8	Very high	97.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.8	-44	179.2	0	0	0	0	0	111.8	V74 G81 C82 G83 V89 T95 L97 A236	V74-A85 HydrophobicContact CG2-CB 4.41Å; G81-A85 WeakPolarHBondContact O-CB 3.32Å; G81-A85 PolarHBondContact O-N 3.4Å; C82-A85 PolarHBondContact O-N 2.92Å; G83-A85 VanDerWaalsContact C-N 3.31Å; G83-A85 PolarHBondContact O-N 3.44Å; A85-V89 WeakPolarHBondContact O-CB 3.47Å; A85-V89 VanDerWaalsContact O-CG1 3.3Å; A85-V89 WeakPolarHBondContact O-CG1 3.28Å; A85-V89 PolarHBondContact O-N 3.02Å; A85-T95 HydrophobicContact CB-CG2 4.07Å; A85-L97 HydrophobicContact CB-CB 4.02Å; A85-L97 HydrophobicContact CB-CD1 4.38Å; A85-L97 HydrophobicContact CB-CD2 4.01Å; A85-L97 HydrophobicContact CB-CG 4.36Å; A85-A236 HydrophobicContact CB-CB 4.36Å
86	L	98.4	Very high	97.9	Very high	6 Å²	6	13 Å²	13	3%	0.031	9%	0.086	C	C	.	.	H	α-helix	trans	-63.9	-44.5	176.6	-179.9	58.8	0	0	0	111.8	C82 G83 V89 T90 I232 T235 A236 Y239 L467 L469	C82-L86 WeakPolarHBondContact O-CB 3.36Å; C82-L86 PolarHBondContact O-N 3.02Å; G83-L86 PolarHBondContact O-N 3.34Å; L86-V89 WeakPolarHBondContact O-CG1 3.44Å; L86-T90 HydrophobicContact CD1-CG2 3.84Å; L86-T90 HydrophobicContact CG-CG2 4.5Å; L86-T90 WeakPolarHBondContact O-CB 3.34Å; L86-T90 WeakPolarHBondContact O-CG2 3.04Å; L86-T90 PolarHBondContact O-N 3.48Å; L86-T90 VanDerWaalsContact O-N 3.11Å; L86-T90 PolarHBondContact O-OG1 3.03Å; L86-I232 HydrophobicContact CB-CG2 4.19Å; L86-I232 HydrophobicContact CD2-CG2 3.93Å; L86-T235 HydrophobicContact CD1-CG2 3.72Å; L86-T235 HydrophobicContact CD2-CG2 4.41Å; L86-A236 HydrophobicContact CB-CB 4.07Å; L86-A236 HydrophobicContact CD1-CB 4.31Å; L86-Y239 HydrophobicContact CD1-CD2 4.32Å; L86-L467 HydrophobicContact CD1-CD2 4.28Å; L86-L467 HydrophobicContact CD2-CD2 4.29Å; L86-L469 HydrophobicContact CD2-CD2 3.94Å
87	D	98.5	Very high	97.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.3	-44.5	178.3	-173.5	60.8	0	0	0	111.8	G83 C84 T90 R91 A444 I448 S462 T464	G83-D87 WeakPolarHBondContact O-CB 3.3Å; G83-D87 PolarHBondContact O-N 3.16Å; C84-D87 PolarHBondContact O-N 3.24Å; D87-T90 PolarHBondContact O-OG1 3.43Å; D87-T90 VanDerWaalsContact O-OG1 3.13Å; D87-R91 VanDerWaalsContact CG-NE 3.3Å; D87-R91 VanDerWaalsContact O-CG 3.23Å; D87-R91 WeakPolarHBondContact O-CG 3.5Å; D87-R91 PolarHBondContact O-N 3.06Å; D87-R91 IonicContact OD1-CZ 3.33Å; D87-R91 IonicContact OD1-NE 2.73Å; D87-R91 PolarHBondContact OD1-NE 2.98Å; D87-R91 IonicContact OD1-NH2 3.32Å; D87-R91 IonicContact OD2-CZ 2.83Å; D87-R91 IonicContact OD2-NE 2.76Å; D87-R91 PolarHBondContact OD2-NE 3.23Å; D87-R91 IonicContact OD2-NH2 3.85Å; D87-R91 PolarHBondContact OD2-NH2 3.36Å; D87-A444 HydrophobicContact CB-CB 4.48Å; D87-I448 HydrophobicContact CB-CG1 4.16Å; D87-I448 VanDerWaalsContact OD2-CB 3.23Å; D87-I448 WeakPolarHBondContact OD2-CB 3.43Å; D87-I448 WeakPolarHBondContact OD2-CG1 3.36Å; D87-I448 WeakPolarHBondContact OD2-CG2 3.35Å; D87-S462 VanDerWaalsContact OD1-CB 3.23Å; D87-S462 WeakPolarHBondContact OD1-CB 3.39Å; D87-S462 PolarHBondContact OD1-OG 2.98Å; D87-T464 HydrophobicContact CB-CG2 3.84Å; D87-T464 WeakPolarHBondContact OD1-CG2 3.3Å
88	A	98.3	Very high	97.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.5	-50.3	177.9	0	0	0	0	0	112.3	C84 T90 R91 G92 L93 T95 I448	C84-A88 VanDerWaalsContact O-CB 3.23Å; C84-A88 WeakPolarHBondContact O-CB 3.4Å; C84-A88 PolarHBondContact O-N 3.07Å; A88-T90 VanDerWaalsContact C-N 3.34Å; A88-T90 PolarHBondContact O-N 3.27Å; A88-R91 PolarHBondContact O-N 2.87Å; A88-G92 PolarHBondContact O-N 3.16Å; A88-L93 HydrophobicContact CB-CB 4.32Å; A88-L93 HydrophobicContact CB-CD1 4.03Å; A88-L93 WeakPolarHBondContact O-CB 3.47Å; A88-L93 PolarHBondContact O-N 3.08Å; A88-L93 VanDerWaalsContact O-N 3.09Å; A88-T95 HydrophobicContact CB-CG2 4.15Å; A88-T95 WeakPolarHBondContact CB-OG1 3.46Å; A88-I448 HydrophobicContact CB-CD1 3.87Å; A88-I448 HydrophobicContact CB-CG1 4.33Å
89	V	97.3	Very high	97.9	Very high	16 Å²	16	13 Å²	13	10%	0.097	8%	0.08	C	C	.	.	H	α-helix	trans	-67.4	-36.1	-175.9	73.1	0	0	0	0	112	A85 L86 R91 G92 T95 A236 Y239 A241	A85-V89 WeakPolarHBondContact O-CB 3.47Å; A85-V89 VanDerWaalsContact O-CG1 3.3Å; A85-V89 WeakPolarHBondContact O-CG1 3.28Å; A85-V89 PolarHBondContact O-N 3.02Å; L86-V89 WeakPolarHBondContact O-CG1 3.44Å; V89-R91 VanDerWaalsContact C-N 3.3Å; V89-R91 PolarHBondContact O-N 3Å; V89-G92 WeakPolarHBondContact O-CA 3.24Å; V89-G92 PolarHBondContact O-N 3.19Å; V89-T95 PolarHBondContact N-OG1 3.44Å; V89-A236 HydrophobicContact CG1-CB 4.43Å; V89-Y239 WeakPolarHBondContact CG2-O 2.98Å; V89-A241 HydrophobicContact CB-CB 4.16Å; V89-A241 HydrophobicContact CG1-CB 4.31Å; V89-A241 HydrophobicContact CG2-CB 4.18Å
90	T	96.3	Very high	98	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.018	9%	0.092	C	C	.	.	H	α-helix	trans	-73.1	-22.7	179.7	55.9	0	0	0	0	112.9	L86 D87 A88 Y239 R463 L467	L86-T90 HydrophobicContact CD1-CG2 3.84Å; L86-T90 HydrophobicContact CG-CG2 4.5Å; L86-T90 WeakPolarHBondContact O-CB 3.34Å; L86-T90 WeakPolarHBondContact O-CG2 3.04Å; L86-T90 PolarHBondContact O-N 3.48Å; L86-T90 VanDerWaalsContact O-N 3.11Å; L86-T90 PolarHBondContact O-OG1 3.03Å; D87-T90 PolarHBondContact O-OG1 3.43Å; D87-T90 VanDerWaalsContact O-OG1 3.13Å; A88-T90 VanDerWaalsContact C-N 3.34Å; A88-T90 PolarHBondContact O-N 3.27Å; T90-Y239 HydrophobicContact CG2-CD1 3.85Å; T90-Y239 HydrophobicContact CG2-CD2 4.23Å; T90-Y239 HydrophobicContact CG2-CE1 4.08Å; T90-Y239 HydrophobicContact CG2-CE2 4.47Å; T90-Y239 HydrophobicContact CG2-CG 3.93Å; T90-R463 WeakPolarHBondContact O-CD 3.41Å; T90-L467 HydrophobicContact CG2-CD1 3.66Å
91	R	96.1	Very high	97.9	Very high	21 Å²	21	17.6 Å²	17.6	8%	0.079	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-6.6	167.6	-66.4	172.8	-169	-136.7	22.5	113.6	D87 A88 V89 D449 V459 G460 S462	D87-R91 VanDerWaalsContact CG-NE 3.3Å; D87-R91 VanDerWaalsContact O-CG 3.23Å; D87-R91 WeakPolarHBondContact O-CG 3.5Å; D87-R91 PolarHBondContact O-N 3.06Å; D87-R91 IonicContact OD1-CZ 3.33Å; D87-R91 IonicContact OD1-NE 2.73Å; D87-R91 PolarHBondContact OD1-NE 2.98Å; D87-R91 IonicContact OD1-NH2 3.32Å; D87-R91 IonicContact OD2-CZ 2.83Å; D87-R91 IonicContact OD2-NE 2.76Å; D87-R91 PolarHBondContact OD2-NE 3.23Å; D87-R91 IonicContact OD2-NH2 3.85Å; D87-R91 PolarHBondContact OD2-NH2 3.36Å; A88-R91 PolarHBondContact O-N 2.87Å; V89-R91 VanDerWaalsContact C-N 3.3Å; V89-R91 PolarHBondContact O-N 3Å; R91-D449 IonicContact CZ-OD1 3.69Å; R91-D449 IonicContact NH1-OD1 2.67Å; R91-D449 PolarHBondContact NH1-OD1 2.88Å; R91-D449 IonicContact NH2-OD1 3.17Å; R91-D449 PolarHBondContact NH2-OD1 3.02Å; R91-V459 HydrophobicContact CB-CB 4.41Å; R91-V459 HydrophobicContact CB-CG2 4.4Å; R91-G460 PolarHBondContact NH1-O 2.87Å; R91-S462 VanDerWaalsContact CZ-N 3.33Å
92	G	95	Very high	97.9	Very high	60 Å²	60	17.6 Å²	17.6	62%	0.619	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.8	12.2	177.6	0	0	0	0	0	115	A88 V89	A88-G92 PolarHBondContact O-N 3.16Å; V89-G92 WeakPolarHBondContact O-CA 3.24Å; V89-G92 PolarHBondContact O-N 3.19Å
93	L	96.9	Very high	97.9	Very high	8 Å²	8	17.7 Å²	17.7	4%	0.042	10%	0.098	C	C	.	.			trans	-77.2	142	174.7	-62.4	169.3	0	0	0	110.4	D71 V72 A88 T95 I448 F457 V459	D71-L93 HydrophobicContact CB-CB 4.22Å; D71-L93 HydrophobicContact CB-CD2 4.06Å; V72-L93 HydrophobicContact CG2-CD1 3.88Å; A88-L93 HydrophobicContact CB-CB 4.32Å; A88-L93 HydrophobicContact CB-CD1 4.03Å; A88-L93 WeakPolarHBondContact O-CB 3.47Å; A88-L93 PolarHBondContact O-N 3.08Å; A88-L93 VanDerWaalsContact O-N 3.09Å; L93-T95 PolarHBondContact O-N 3.42Å; L93-T95 PolarHBondContact O-OG1 3.36Å; L93-I448 HydrophobicContact CD1-CG2 4.41Å; L93-F457 HydrophobicContact CD2-CB 4.2Å; L93-F457 HydrophobicContact CD2-CD1 4.22Å; L93-F457 HydrophobicContact CD2-CD2 4.36Å; L93-F457 HydrophobicContact CD2-CG 4.02Å; L93-V459 HydrophobicContact CD1-CG2 4.45Å; L93-V459 HydrophobicContact CD2-CG1 3.62Å; L93-V459 HydrophobicContact CD2-CG2 4.35Å; L93-V459 HydrophobicContact CG-CG1 4.08Å; L93-V459 HydrophobicContact CG-CG2 4.44Å
94	K	97.8	Very high	97.9	Very high	100 Å²	100	17.6 Å²	17.6	44%	0.435	10%	0.096	S	C	.	.			trans	-74.3	107.3	169.9	-177.3	-175.3	-88.3	-178.2	0	109	T67 E69 F70 D71 V72	T67-K94 HydrophobicContact CG2-CD 3.72Å; E69-K94 WeakPolarHBondContact O-CD 3.4Å; F70-K94 HydrophobicContact CD1-CD 4.2Å; F70-K94 HydrophobicContact CD1-CG 3.7Å; F70-K94 HydrophobicContact CE1-CG 4.2Å; F70-K94 HydrophobicContact CG-CG 4.46Å; D71-K94 HydrophobicContact CB-CB 4.49Å; D71-K94 PolarHBondContact N-O 2.77Å; D71-K94 WeakPolarHBondContact OD2-CB 3.46Å; D71-K94 PolarHBondContact OD2-N 2.96Å; V72-K94 PolarHBondContact N-O 3.37Å
95	T	98.6	Very high	97.8	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.018	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.9	-167.1	-57	0	0	0	0	113.1	V72 A85 A88 V89 L93 A241 A242	V72-T95 CarbonylContact O-C 3.55Å; V72-T95 WeakPolarHBondContact O-CA 3.39Å; A85-T95 HydrophobicContact CB-CG2 4.07Å; A88-T95 HydrophobicContact CB-CG2 4.15Å; A88-T95 WeakPolarHBondContact CB-OG1 3.46Å; V89-T95 PolarHBondContact N-OG1 3.44Å; L93-T95 PolarHBondContact O-N 3.42Å; L93-T95 PolarHBondContact O-OG1 3.36Å; T95-A241 HydrophobicContact CG2-CB 4.4Å; T95-A241 WeakPolarHBondContact O-CA 3.45Å; T95-A242 PolarHBondContact O-N 3.46Å
96	A	98.8	Very high	97.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.3	166.6	0	0	0	0	0	110.4	L64 F70 V72 L73 V74 A242 V281	L64-A96 HydrophobicContact CD2-CB 3.56Å; F70-A96 HydrophobicContact CD1-CB 3.71Å; F70-A96 HydrophobicContact CD2-CB 4.09Å; F70-A96 HydrophobicContact CE1-CB 3.85Å; F70-A96 HydrophobicContact CE2-CB 4.19Å; F70-A96 HydrophobicContact CG-CB 3.86Å; F70-A96 HydrophobicContact CZ-CB 4.09Å; V72-A96 PolarHBondContact O-N 3.26Å; L73-A96 HydrophobicContact CD1-CB 3.74Å; V74-A96 PolarHBondContact N-O 3.14Å; A96-A242 CarbonylContact C-O 3.6Å; A96-A242 WeakPolarHBondContact CA-O 3.41Å; A96-V281 HydrophobicContact CB-CG1 4.37Å
97	L	98.8	Very high	97.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	121.7	174.1	173.8	65.5	0	0	0	109.5	V74 G76 A85 F103 A242 T243 A244	V74-L97 HydrophobicContact CB-CD1 3.83Å; V74-L97 HydrophobicContact CG1-CD1 3.81Å; V74-L97 WeakPolarHBondContact O-CA 3.36Å; G76-L97 WeakPolarHBondContact O-CD1 3.28Å; A85-L97 HydrophobicContact CB-CB 4.02Å; A85-L97 HydrophobicContact CB-CD1 4.38Å; A85-L97 HydrophobicContact CB-CD2 4.01Å; A85-L97 HydrophobicContact CB-CG 4.36Å; L97-F103 HydrophobicContact CD2-CE1 3.83Å; L97-F103 HydrophobicContact CG-CE1 4.33Å; L97-A242 PolarHBondContact N-O 3.26Å; L97-T243 HydrophobicContact CB-CG2 4.04Å; L97-T243 HydrophobicContact CD2-CG2 4.12Å; L97-T243 WeakPolarHBondContact O-CA 3.48Å; L97-A244 PolarHBondContact O-N 3.47Å
98	L	98.7	Very high	97.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.9	178.4	-54.8	-178.3	0	0	0	110.4	L64 L73 V74 G76 T247 V249 C270	L64-L98 HydrophobicContact CD1-CD2 3.55Å; L64-L98 HydrophobicContact CD2-CD2 3.97Å; L64-L98 HydrophobicContact CG-CD2 4.41Å; L73-L98 HydrophobicContact CD1-CD1 3.75Å; L73-L98 HydrophobicContact CD1-CG 3.75Å; V74-L98 PolarHBondContact O-N 2.92Å; G76-L98 PolarHBondContact N-O 3.46Å; L98-T247 HydrophobicContact CD1-CG2 4.36Å; L98-T247 HydrophobicContact CD2-CG2 3.83Å; L98-T247 HydrophobicContact CG-CG2 4.48Å; L98-V249 HydrophobicContact CD1-CG2 3.85Å; L98-C270 HydrophobicContact CD1-CB 4.17Å
99	E	98.7	Very high	97.4	Very high	21 Å²	21	23.2 Å²	23.2	10%	0.098	14%	0.14	C	C	.	.			trans	-127.5	129.4	174	173.1	42.5	-124.8	0	0	109.4	G77 D101 D102 F103 A244 N245 Y246 T247	G77-E99 PolarHBondContact N-OE2 3.49Å; E99-D101 PolarHBondContact OE1-N 3.5Å; E99-D102 WeakPolarHBondContact CG-O 3.21Å; E99-F103 HydrophobicContact CB-CD1 4.25Å; E99-F103 HydrophobicContact CB-CE1 4.16Å; E99-F103 HydrophobicContact CG-CD1 4.48Å; E99-A244 PolarHBondContact N-O 2.84Å; E99-N245 CarbonylContact O-C 3.55Å; E99-N245 WeakPolarHBondContact O-CA 3.45Å; E99-Y246 PolarHBondContact O-N 3.42Å; E99-T247 CarbonylContact C-O 3.54Å; E99-T247 PolarHBondContact O-N 3.41Å
100	R	98	Very high	97.4	Very high	74 Å²	74	23 Å²	23	28%	0.279	14%	0.138	S	C	.	.	S	Bend	trans	-66.4	-39.4	-176	179	-173.2	69.2	-158.1	-7.7	112.2	Y246 E248	R100-Y246 VanDerWaalsContact O-CA 3.28Å; R100-Y246 WeakPolarHBondContact O-CA 3.49Å; R100-E248 HydrophobicContact CB-CB 4.42Å; R100-E248 HydrophobicContact CB-CG 4.46Å; R100-E248 WeakPolarHBondContact CD-OE1 3.36Å; R100-E248 HydrophobicContact CG-CB 3.85Å; R100-E248 HydrophobicContact CG-CG 3.77Å
101	D	97.6	Very high	97.3	Very high	52 Å²	52	24.1 Å²	24.1	28%	0.278	15%	0.146	S	C	.	.	S	Bend	trans	-109.4	-145.9	-177.6	-62.2	-55.2	0	0	0	108.7	E99 S105 N245 Y246	E99-D101 PolarHBondContact OE1-N 3.5Å; D101-S105 WeakPolarHBondContact CB-OG 3.44Å; D101-N245 WeakPolarHBondContact O-CB 3.37Å; D101-Y246 PolarHBondContact O-N 2.92Å
102	D	98.3	Very high	97.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	15%	0.151	C	C	.	.	S	Bend	trans	-82.1	158.7	169	-170.4	29.5	0	0	0	112	E99 S104 S105 N245 Y246 D550 R554 R555	E99-D102 WeakPolarHBondContact CG-O 3.21Å; D102-S104 PolarHBondContact O-N 3.24Å; D102-S105 WeakPolarHBondContact O-CB 3.15Å; D102-S105 PolarHBondContact O-N 3.39Å; D102-S105 PolarHBondContact O-OG 3.28Å; D102-N245 PolarHBondContact OD1-ND2 3.2Å; D102-Y246 HydrophobicContact CB-CE2 4.19Å; D102-D550 WeakPolarHBondContact CB-OD1 3.28Å; D102-R554 WeakPolarHBondContact OD2-CD 3.36Å; D102-R555 IonicContact OD1-NH1 3.33Å; D102-R555 IonicContact OD1-NH2 3.94Å; D102-R555 PolarHBondContact OD1-NH2 2.76Å; D102-R555 IonicContact OD2-CZ 2.72Å; D102-R555 IonicContact OD2-NH1 2.73Å; D102-R555 PolarHBondContact OD2-NH1 3.34Å; D102-R555 IonicContact OD2-NH2 2.69Å; D102-R555 PolarHBondContact OD2-NH2 2.71Å
103	F	98.5	Very high	97.2	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.009	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	134.3	171	-66.3	-65.3	0	0	0	110.4	L97 E99 S105 L230 A233 N245 Y544	L97-F103 HydrophobicContact CD2-CE1 3.83Å; L97-F103 HydrophobicContact CG-CE1 4.33Å; E99-F103 HydrophobicContact CB-CD1 4.25Å; E99-F103 HydrophobicContact CB-CE1 4.16Å; E99-F103 HydrophobicContact CG-CD1 4.48Å; F103-S105 PolarHBondContact O-N 3.47Å; F103-L230 HydrophobicContact CB-CD1 4.47Å; F103-L230 HydrophobicContact CD2-CD1 4.39Å; F103-A233 HydrophobicContact CD1-CB 4.06Å; F103-A233 HydrophobicContact CD2-CB 4.47Å; F103-A233 HydrophobicContact CE1-CB 4.25Å; F103-A233 HydrophobicContact CG-CB 4.19Å; F103-N245 HydrophobicContact CD2-CB 3.92Å; F103-N245 HydrophobicContact CE2-CB 3.76Å; F103-N245 HydrophobicContact CG-CB 4.43Å; F103-N245 HydrophobicContact CZ-CB 4.12Å; F103-Y544 AromaticContact CE2-CD2 3.92Å; F103-Y544 HydrophobicContact CE2-CD2 3.92Å
104	S	97.4	Very high	97	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.007	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	7.2	-175.8	-143.2	0	0	0	0	116.2	G77 D102 G106 S108 S109 N229	G77-S104 PolarHBondContact O-N 3.09Å; D102-S104 PolarHBondContact O-N 3.24Å; S104-G106 VanDerWaalsContact C-N 3.26Å; S104-G106 PolarHBondContact O-N 3.32Å; S104-S108 VanDerWaalsContact OG-CB 3.32Å; S104-S108 WeakPolarHBondContact OG-CB 3.42Å; S104-S108 PolarHBondContact OG-O 3.18Å; S104-S109 WeakPolarHBondContact O-CB 3.36Å; S104-S109 PolarHBondContact O-N 2.73Å; S104-S109 PolarHBondContact O-OG 3.1Å; S104-S109 PolarHBondContact OG-N 3.48Å; S104-N229 WeakPolarHBondContact CA-ND2 3.3Å; S104-N229 VanDerWaalsContact CB-ND2 3.32Å; S104-N229 WeakPolarHBondContact CB-ND2 3.4Å; S104-N229 PolarHBondContact N-ND2 3.29Å; S104-N229 WeakPolarHBondContact OG-CB 3.49Å
105	S	96.8	Very high	96.8	Very high	25 Å²	25	17.4 Å²	17.4	18%	0.175	10%	0.103	C	C	.	.			trans	-55.7	-35.4	-177.3	60.7	0	0	0	0	114.5	D101 D102 F103	D101-S105 WeakPolarHBondContact CB-OG 3.44Å; D102-S105 WeakPolarHBondContact O-CB 3.15Å; D102-S105 PolarHBondContact O-N 3.39Å; D102-S105 PolarHBondContact O-OG 3.28Å; F103-S105 PolarHBondContact O-N 3.47Å
106	G	95.8	Very high	96.3	Very high	36 Å²	36	19.6 Å²	19.6	37%	0.371	11%	0.113	S	C	.	.	S	Bend	trans	-78.5	-142.5	177.7	0	0	0	0	0	114.4	S104 S108 S109	S104-G106 VanDerWaalsContact C-N 3.26Å; S104-G106 PolarHBondContact O-N 3.32Å; G106-S108 PolarHBondContact O-N 2.87Å; G106-S108 VanDerWaalsContact O-N 3.11Å; G106-S109 PolarHBondContact O-N 2.98Å; G106-S109 PolarHBondContact O-OG 2.76Å
107	T	96.3	Very high	95.3	Very high	42 Å²	42	19.6 Å²	19.6	26%	0.258	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-55.9	-31.8	-174.6	-47.5	0	0	0	0	113.8	S109 R110 P292 I401	T107-S109 PolarHBondContact O-N 2.92Å; T107-S109 VanDerWaalsContact O-N 3.12Å; T107-R110 PolarHBondContact O-N 2.73Å; T107-P292 WeakPolarHBondContact OG1-CD 3.35Å; T107-P292 VanDerWaalsContact OG1-CG 3.31Å; T107-P292 WeakPolarHBondContact OG1-CG 3.29Å; T107-I401 WeakPolarHBondContact CB-O 3.44Å; T107-I401 WeakPolarHBondContact CG2-O 3.33Å; T107-I401 PolarHBondContact OG1-O 2.9Å
108	S	97.3	Very high	94.5	Very high	21 Å²	21	20 Å²	20	15%	0.147	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-66.4	-11.1	-174.8	-60	0	0	0	0	115.3	A79 S104 G106 D225	A79-S108 PolarHBondContact N-OG 2.85Å; S104-S108 VanDerWaalsContact OG-CB 3.32Å; S104-S108 WeakPolarHBondContact OG-CB 3.42Å; S104-S108 PolarHBondContact OG-O 3.18Å; G106-S108 PolarHBondContact O-N 2.87Å; G106-S108 VanDerWaalsContact O-N 3.11Å; S108-D225 VanDerWaalsContact O-CB 3.3Å; S108-D225 WeakPolarHBondContact O-CB 3.42Å; S108-D225 VanDerWaalsContact O-CG 3.22Å
109	S	96.8	Very high	93.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-108.3	3.8	172.4	65	0	0	0	0	114.4	S104 G106 T107 K113 D225 R557 F560	S104-S109 WeakPolarHBondContact O-CB 3.36Å; S104-S109 PolarHBondContact O-N 2.73Å; S104-S109 PolarHBondContact O-OG 3.1Å; S104-S109 PolarHBondContact OG-N 3.48Å; G106-S109 PolarHBondContact O-N 2.98Å; G106-S109 PolarHBondContact O-OG 2.76Å; T107-S109 PolarHBondContact O-N 2.92Å; T107-S109 VanDerWaalsContact O-N 3.12Å; S109-K113 PolarHBondContact O-NZ 3.15Å; S109-D225 VanDerWaalsContact C-OD2 3.24Å; S109-R557 PolarHBondContact O-NH2 3.16Å; S109-F560 WeakPolarHBondContact O-CE1 3.31Å; S109-F560 WeakPolarHBondContact O-CZ 3.24Å
110	R	96.3	Very high	92.7	Very high	13 Å²	13	26.2 Å²	26.2	5%	0.049	14%	0.142	C	C	.	.	S	Bend	trans	-122.8	26.3	-171.3	-57.8	-162.2	-172.7	-143.6	-0.8	112.8	T107 D225 P365 W398 S399 F560 E602	T107-R110 PolarHBondContact O-N 2.73Å; R110-D225 PolarHBondContact N-OD2 3.24Å; R110-P365 PolarHBondContact NH1-O 3.07Å; R110-P365 VanDerWaalsContact NH1-O 3.07Å; R110-W398 PolarHBondContact O-NE1 3.29Å; R110-S399 WeakPolarHBondContact CD-O 3.45Å; R110-S399 PolarHBondContact NH1-O 3.32Å; R110-F560 HydrophobicContact CG-CE1 4.47Å; R110-F560 HydrophobicContact CG-CZ 4.28Å; R110-E602 IonicContact CZ-OE2 2.68Å; R110-E602 IonicContact NH1-OE2 2.78Å; R110-E602 IonicContact NH2-OE2 3.48Å; R110-E602 PolarHBondContact NH2-OE2 2.99Å
111	S	94.3	Very high	91.8	Very high	26 Å²	26	24.4 Å²	24.4	18%	0.182	14%	0.136	C	C	.	.	S	Bend	trans	-82.4	174.3	178	76.2	0	0	0	0	112.4	K113 D225	S111-K113 PolarHBondContact O-N 3.23Å; S111-K113 VanDerWaalsContact O-N 3.13Å; S111-K113 PolarHBondContact OG-N 3.41Å; S111-D225 WeakPolarHBondContact CB-OD2 3.49Å; S111-D225 PolarHBondContact N-OD2 3.19Å; S111-D225 VanDerWaalsContact N-OD2 3.13Å; S111-D225 PolarHBondContact OG-OD2 2.87Å
112	T	93.8	Very high	91	Very high	30 Å²	30	22.2 Å²	22.2	18%	0.184	12%	0.124	C	C	.	.			trans	-68.5	0.6	169	-47.5	0	0	0	0	113.2	L114 H316 F342 L344	T112-L114 HydrophobicContact CG2-CD1 4.04Å; T112-L114 HydrophobicContact CG2-CG 4.25Å; T112-L114 PolarHBondContact O-N 3.46Å; T112-H316 WeakPolarHBondContact CA-NE2 3.4Å; T112-H316 PolarHBondContact OG1-NE2 2.84Å; T112-F342 HydrophobicContact CG2-CB 4.49Å; T112-F342 HydrophobicContact CG2-CD2 4.44Å; T112-L344 HydrophobicContact CG2-CD1 3.62Å; T112-L344 WeakPolarHBondContact O-CD1 3.28Å
113	K	95.2	Very high	90.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	62.8	25.2	-176.7	-44.6	-54.9	178.1	-174.6	0	113.9	S109 S111 Q222 H223 D225 W346 I351	S109-K113 PolarHBondContact O-NZ 3.15Å; S111-K113 PolarHBondContact O-N 3.23Å; S111-K113 VanDerWaalsContact O-N 3.13Å; S111-K113 PolarHBondContact OG-N 3.41Å; K113-Q222 WeakPolarHBondContact O-CA 3.37Å; K113-Q222 WeakPolarHBondContact O-CG 3.18Å; K113-H223 VanDerWaalsContact C-CD2 3.41Å; K113-H223 WeakPolarHBondContact CB-O 3.31Å; K113-H223 PolarHBondContact O-CD2 3.13Å; K113-H223 PolarHBondContact O-N 2.75Å; K113-D225 HydrophobicContact CD-CB 4.26Å; K113-D225 VanDerWaalsContact CD-CG 3.5Å; K113-D225 WeakPolarHBondContact CD-OD2 3.32Å; K113-D225 IonicContact NZ-OD1 3.68Å; K113-D225 PolarHBondContact NZ-OD1 2.69Å; K113-D225 IonicContact NZ-OD2 2.76Å; K113-D225 PolarHBondContact NZ-OD2 3.14Å; K113-W346 HydrophobicContact CD-CZ2 4.18Å; K113-W346 HydrophobicContact CG-CD2 4.24Å; K113-W346 HydrophobicContact CG-CG 4.44Å; K113-W346 HydrophobicContact CG-CZ2 4.28Å; K113-I351 HydrophobicContact CB-CD1 4.4Å; K113-I351 HydrophobicContact CG-CD1 3.67Å
114	L	93.8	Very high	89.2	Confident	17 Å²	17	29.9 Å²	29.9	9%	0.089	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	139.5	179	-68.6	179.3	0	0	0	112	T112 L158 G221 Q222 F342 L344	T112-L114 HydrophobicContact CG2-CD1 4.04Å; T112-L114 HydrophobicContact CG2-CG 4.25Å; T112-L114 PolarHBondContact O-N 3.46Å; L114-L158 HydrophobicContact CD2-CD2 3.88Å; L114-G221 WeakPolarHBondContact CA-O 3.46Å; L114-G221 WeakPolarHBondContact CD2-O 3.45Å; L114-Q222 HydrophobicContact CD2-CB 4.27Å; L114-Q222 HydrophobicContact CD2-CG 4.4Å; L114-F342 HydrophobicContact CD1-CD1 3.91Å; L114-F342 HydrophobicContact CD1-CE1 4.03Å; L114-F342 HydrophobicContact CD1-CG 4.2Å; L114-F342 HydrophobicContact CD1-CZ 4.46Å; L114-L344 HydrophobicContact CD1-CD1 3.56Å; L114-L344 HydrophobicContact CD1-CD2 4.09Å; L114-L344 HydrophobicContact CD1-CG 4.47Å; L114-L344 HydrophobicContact CD2-CD1 3.89Å; L114-L344 HydrophobicContact CD2-CD2 4.2Å; L114-L344 HydrophobicContact CG-CD1 3.58Å
115	I	93.1	Very high	88.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	81.4	167.7	-52.2	168.2	0	0	0	106.9	R144 L147 L148 G221 H223 T438	I115-R144 HydrophobicContact CB-CG 4.33Å; I115-R144 HydrophobicContact CG2-CB 3.78Å; I115-R144 HydrophobicContact CG2-CG 3.76Å; I115-R144 VanDerWaalsContact O-CD 3.31Å; I115-R144 WeakPolarHBondContact O-CD 3.17Å; I115-L147 HydrophobicContact CD1-CB 3.96Å; I115-L147 HydrophobicContact CD1-CD1 4.04Å; I115-L147 HydrophobicContact CD1-CG 4.46Å; I115-L147 HydrophobicContact CG1-CD1 4.34Å; I115-L147 HydrophobicContact CG2-CD1 3.71Å; I115-L148 HydrophobicContact CD1-CD1 4.27Å; I115-G221 PolarHBondContact N-O 2.94Å; I115-G221 PolarHBondContact O-N 2.98Å; I115-H223 HydrophobicContact CD1-CB 3.72Å; I115-H223 HydrophobicContact CG1-CB 4.11Å; I115-T438 HydrophobicContact CG2-CG2 3.63Å
116	H	87.5	Confident	87.7	Confident	50 Å²	50	32.6 Å²	32.6	23%	0.231	17%	0.174	C	C	.	.			trans	-81.2	130.2	-172.3	-115.2	48.2	0	0	0	112.2	G118 D220 F342 T438	H116-G118 VanDerWaalsContact C-N 3.31Å; H116-D220 IonicContact CD2-OD2 2.75Å; H116-D220 IonicContact CE1-OD2 3.64Å; H116-D220 PolarHBondContact CE1-OD2 3.3Å; H116-D220 IonicContact CG-OD2 3.6Å; H116-D220 IonicContact ND1-OD2 3.35Å; H116-D220 PolarHBondContact ND1-OD2 2.96Å; H116-D220 VanDerWaalsContact ND1-OD2 3.17Å; H116-D220 IonicContact NE2-OD2 3.43Å; H116-F342 AromaticContact CE1-CE1 3.51Å; H116-F342 AromaticContact CE1-CZ 3.58Å; H116-F342 AromaticContact NE2-CE1 3.56Å; H116-F342 AromaticContact NE2-CZ 3.22Å; H116-F342 WeakPolarHBondContact NE2-CZ 3.49Å; H116-T438 PolarHBondContact N-OG1 2.92Å; H116-T438 PolarHBondContact O-OG1 3.12Å
117	G	79.4	Confident	87.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.			trans	-86.6	5.1	172.9	0	0	0	0	0	114.4	Y180 D220	G117-Y180 WeakPolarHBondContact CA-OH 3.35Å; G117-D220 PolarHBondContact N-OD1 3.01Å
118	G	80.5	Confident	86.5	Confident	7 Å²	7	42.9 Å²	42.9	7%	0.072	21%	0.209	C	C	.	.			trans	83.5	39.8	164.2	0	0	0	0	0	117.1	H116 R120 Y121 L122	H116-G118 VanDerWaalsContact C-N 3.31Å; G118-R120 VanDerWaalsContact C-N 3.26Å; G118-R120 PolarHBondContact O-N 3.35Å; G118-R120 VanDerWaalsContact O-N 3.13Å; G118-Y121 WeakPolarHBondContact O-CA 3.1Å; G118-Y121 WeakPolarHBondContact O-CB 3.23Å; G118-Y121 PolarHBondContact O-N 3.03Å; G118-L122 PolarHBondContact O-N 2.85Å; G118-L122 VanDerWaalsContact O-N 3.17Å
119	V	82.1	Confident	85.8	Confident	30 Å²	30	49.6 Å²	49.6	18%	0.182	24%	0.242	C	C	.	.	H	α-helix	trans	-47.4	-43.9	179.3	-178.2	0	0	0	0	113.5	Y121 L122 Q123 I177 Y180 Y218	V119-Y121 VanDerWaalsContact C-N 3.31Å; V119-Y121 PolarHBondContact O-N 3.18Å; V119-L122 WeakPolarHBondContact O-CB 3.3Å; V119-L122 PolarHBondContact O-N 3.24Å; V119-Q123 PolarHBondContact O-N 2.93Å; V119-I177 HydrophobicContact CG1-CD1 3.7Å; V119-Y180 HydrophobicContact CB-CD2 4.3Å; V119-Y180 HydrophobicContact CB-CE2 4.38Å; V119-Y180 HydrophobicContact CG2-CD1 3.95Å; V119-Y180 HydrophobicContact CG2-CD2 3.78Å; V119-Y180 HydrophobicContact CG2-CE1 3.79Å; V119-Y180 HydrophobicContact CG2-CE2 3.64Å; V119-Y180 HydrophobicContact CG2-CG 3.92Å; V119-Y218 HydrophobicContact CG2-CD2 4.12Å; V119-Y218 HydrophobicContact CG2-CE2 3.76Å
120	R	79.1	Confident	85	Confident	123 Å²	123	52.3 Å²	52.3	46%	0.464	26%	0.257	S	S	.	.	H	α-helix	trans	-66.6	-31.6	179	-169.4	177.1	-176.6	-174	5.3	113	G118 Q123 K124	G118-R120 VanDerWaalsContact C-N 3.26Å; G118-R120 PolarHBondContact O-N 3.35Å; G118-R120 VanDerWaalsContact O-N 3.13Å; R120-Q123 PolarHBondContact O-N 3.03Å; R120-K124 PolarHBondContact O-N 3.47Å
121	Y	77.3	Confident	84.4	Confident	37 Å²	37	58.5 Å²	58.5	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-70.7	-37	175.5	-63.7	-69.7	0	0	0	110.9	G118 V119 Q123 K124 A125 R418 K436	G118-Y121 WeakPolarHBondContact O-CA 3.1Å; G118-Y121 WeakPolarHBondContact O-CB 3.23Å; G118-Y121 PolarHBondContact O-N 3.03Å; V119-Y121 VanDerWaalsContact C-N 3.31Å; V119-Y121 PolarHBondContact O-N 3.18Å; Y121-Q123 VanDerWaalsContact C-N 3.31Å; Y121-Q123 PolarHBondContact O-N 3.25Å; Y121-K124 PolarHBondContact O-N 3.3Å; Y121-K124 VanDerWaalsContact O-N 3.16Å; Y121-A125 WeakPolarHBondContact O-CB 3.43Å; Y121-A125 PolarHBondContact O-N 3.39Å; Y121-R418 WeakPolarHBondContact OH-CD 3.34Å; Y121-R418 PolarHBondContact OH-NH1 3.08Å; Y121-K436 VanDerWaalsContact CE2-NZ 3.3Å; Y121-K436 PolarHBondContact OH-NZ 3.41Å
122	L	81.8	Confident	83.6	Confident	6 Å²	6	62.1 Å²	62.1	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-41.9	173.6	-177.5	61.9	0	0	0	111.7	G118 V119 K124 A125 V126 Y134 V137 L179 Y180 V183	G118-L122 PolarHBondContact O-N 2.85Å; G118-L122 VanDerWaalsContact O-N 3.17Å; V119-L122 WeakPolarHBondContact O-CB 3.3Å; V119-L122 PolarHBondContact O-N 3.24Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 2.88Å; L122-A125 PolarHBondContact O-N 2.87Å; L122-V126 HydrophobicContact CD1-CG2 4.1Å; L122-V126 HydrophobicContact CG-CG2 4.41Å; L122-V126 VanDerWaalsContact O-CG2 3.27Å; L122-V126 WeakPolarHBondContact O-CG2 3.21Å; L122-V126 PolarHBondContact O-N 3.46Å; L122-Y134 HydrophobicContact CD1-CD2 4.15Å; L122-V137 HydrophobicContact CB-CG1 4.38Å; L122-V137 HydrophobicContact CB-CG2 4.2Å; L122-L179 HydrophobicContact CD2-CG 4.3Å; L122-Y180 VanDerWaalsContact CD2-CA 3.48Å; L122-Y180 HydrophobicContact CD2-CD2 3.85Å; L122-Y180 HydrophobicContact CD2-CG 4.34Å; L122-V183 HydrophobicContact CD1-CG1 4.49Å; L122-V183 HydrophobicContact CD1-CG2 4.06Å; L122-V183 HydrophobicContact CD2-CB 4.34Å; L122-V183 HydrophobicContact CD2-CG2 4.13Å
123	Q	81.1	Confident	83	Confident	84 Å²	84	62.4 Å²	62.4	39%	0.393	30%	0.298	S	S	.	.	H	α-helix	trans	-56.7	-47.3	174.3	-173.2	-172	13.6	0	0	111.3	V119 R120 Y121 M127 Y172	V119-Q123 PolarHBondContact O-N 2.93Å; R120-Q123 PolarHBondContact O-N 3.03Å; Y121-Q123 VanDerWaalsContact C-N 3.31Å; Y121-Q123 PolarHBondContact O-N 3.25Å; Q123-M127 HydrophobicContact CG-SD 3.83Å; Q123-M127 WeakPolarHBondContact O-CB 3.37Å; Q123-M127 WeakPolarHBondContact O-CG 3.45Å; Q123-M127 PolarHBondContact O-N 2.85Å; Q123-Y172 PolarHBondContact NE2-OH 3.09Å
124	K	78.1	Confident	82.5	Confident	80 Å²	80	66.3 Å²	66.3	35%	0.348	31%	0.313	S	S	.	.	H	α-helix	trans	-65	-43	177.1	-71.3	-176.1	178.8	-176.7	0	112.3	R120 Y121 L122 V126 M127 K128	R120-K124 PolarHBondContact O-N 3.47Å; Y121-K124 PolarHBondContact O-N 3.3Å; Y121-K124 VanDerWaalsContact O-N 3.16Å; L122-K124 VanDerWaalsContact C-N 3.33Å; L122-K124 PolarHBondContact O-N 2.88Å; K124-V126 VanDerWaalsContact C-N 3.31Å; K124-V126 PolarHBondContact O-N 3.36Å; K124-M127 PolarHBondContact O-N 2.9Å; K124-K128 VanDerWaalsContact O-CB 3.31Å; K124-K128 WeakPolarHBondContact O-CB 3.5Å; K124-K128 PolarHBondContact O-N 2.82Å
125	A	80	Confident	82.1	Confident	6 Å²	6	71.2 Å²	71.2	5%	0.05	33%	0.334	C	S	.	.	H	α-helix	trans	-57.1	-45.8	178.7	0	0	0	0	0	111.4	Y121 L122 L129 D130 Q133	Y121-A125 WeakPolarHBondContact O-CB 3.43Å; Y121-A125 PolarHBondContact O-N 3.39Å; L122-A125 PolarHBondContact O-N 2.87Å; A125-L129 CarbonylContact O-C 3.25Å; A125-L129 WeakPolarHBondContact O-CA 3.24Å; A125-L129 PolarHBondContact O-N 3.03Å; A125-D130 WeakPolarHBondContact CB-O 3.32Å; A125-D130 PolarHBondContact O-N 2.92Å; A125-Q133 HydrophobicContact CB-CB 3.79Å
126	V	82.9	Confident	81.6	Confident	77 Å²	77	72 Å²	72	47%	0.467	34%	0.337	S	S	.	.	H	α-helix	trans	-70.4	-46.1	178.9	175.6	0	0	0	0	111.2	L122 K124 K128 L179	L122-V126 HydrophobicContact CD1-CG2 4.1Å; L122-V126 HydrophobicContact CG-CG2 4.41Å; L122-V126 VanDerWaalsContact O-CG2 3.27Å; L122-V126 WeakPolarHBondContact O-CG2 3.21Å; L122-V126 PolarHBondContact O-N 3.46Å; K124-V126 VanDerWaalsContact C-N 3.31Å; K124-V126 PolarHBondContact O-N 3.36Å; V126-K128 VanDerWaalsContact C-N 3.34Å; V126-K128 PolarHBondContact O-N 2.79Å; V126-L179 HydrophobicContact CG1-CD2 4.47Å; V126-L179 HydrophobicContact CG2-CD2 3.69Å
127	M	81.5	Confident	81.7	Confident	137 Å²	137	69.7 Å²	69.7	68%	0.675	33%	0.327	S	S	*	.	H	α-helix	trans	-69.2	-29.8	-177.1	-71.2	-178.8	73.8	0	0	113.5	Q123 K124	Q123-M127 HydrophobicContact CG-SD 3.83Å; Q123-M127 WeakPolarHBondContact O-CB 3.37Å; Q123-M127 WeakPolarHBondContact O-CG 3.45Å; Q123-M127 PolarHBondContact O-N 2.85Å; K124-M127 PolarHBondContact O-N 2.9Å
128	K	84.8	Confident	82.1	Confident	157 Å²	157	73.3 Å²	73.3	68%	0.683	34%	0.342	S	S	*	.	H	α-helix	trans	-108.1	1.8	-177.9	-61.4	-171.1	174.6	-166.9	0	113.9	K124 V126 D130	K124-K128 VanDerWaalsContact O-CB 3.31Å; K124-K128 WeakPolarHBondContact O-CB 3.5Å; K124-K128 PolarHBondContact O-N 2.82Å; V126-K128 VanDerWaalsContact C-N 3.34Å; V126-K128 PolarHBondContact O-N 2.79Å; K128-D130 HydrophobicContact CB-CB 4.35Å; K128-D130 PolarHBondContact O-N 2.85Å
129	L	81.6	Confident	82.5	Confident	161 Å²	161	75.6 Å²	75.6	84%	0.843	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	41	-172.6	-59.7	173.4	0	0	0	112.6	A125 F131	A125-L129 CarbonylContact O-C 3.25Å; A125-L129 WeakPolarHBondContact O-CA 3.24Å; A125-L129 PolarHBondContact O-N 3.03Å; L129-F131 PolarHBondContact O-N 3.31Å
130	D	81.1	Confident	83	Confident	58 Å²	58	74.6 Å²	74.6	31%	0.31	35%	0.346	S	S	.	.			trans	-92.2	102.7	-175.3	-174.2	-25.4	0	0	0	110.2	A125 K128 E132 Q133 Y134	A125-D130 WeakPolarHBondContact CB-O 3.32Å; A125-D130 PolarHBondContact O-N 2.92Å; K128-D130 HydrophobicContact CB-CB 4.35Å; K128-D130 PolarHBondContact O-N 2.85Å; D130-E132 PolarHBondContact OD1-N 2.98Å; D130-E132 VanDerWaalsContact OD1-N 3.13Å; D130-Q133 HydrophobicContact CB-CB 4.15Å; D130-Q133 HydrophobicContact CB-CG 4.06Å; D130-Q133 PolarHBondContact O-N 3.49Å; D130-Q133 PolarHBondContact OD1-N 2.84Å; D130-Q133 VanDerWaalsContact OD1-N 3.08Å; D130-Q133 WeakPolarHBondContact OD2-CG 3.49Å; D130-Y134 PolarHBondContact O-N 2.81Å
131	F	82.6	Confident	83.6	Confident	142 Å²	142	68.8 Å²	68.8	62%	0.623	32%	0.324	S	S	*	.	H	α-helix	trans	-67.8	-33.9	-177.4	-175.8	-99	0	0	0	113	L129 Y134 K135	L129-F131 PolarHBondContact O-N 3.31Å; F131-Y134 HydrophobicContact CE2-CD1 4.48Å; F131-Y134 WeakPolarHBondContact O-CB 3.17Å; F131-Y134 PolarHBondContact O-N 2.89Å; F131-K135 PolarHBondContact O-N 2.66Å
132	E	79.3	Confident	84.3	Confident	103 Å²	103	69.5 Å²	69.5	48%	0.481	33%	0.329	S	S	.	.	H	α-helix	trans	-66.2	-43.4	178.7	-68.8	-57.7	130.5	0	0	110.3	D130 Y134 K135 M136	D130-E132 PolarHBondContact OD1-N 2.98Å; D130-E132 VanDerWaalsContact OD1-N 3.13Å; E132-Y134 VanDerWaalsContact C-N 3.27Å; E132-Y134 PolarHBondContact O-N 2.87Å; E132-K135 PolarHBondContact O-N 2.88Å; E132-M136 VanDerWaalsContact O-CG 3.28Å; E132-M136 WeakPolarHBondContact O-CG 3.4Å; E132-M136 PolarHBondContact O-N 2.84Å
133	Q	80.1	Confident	84.9	Confident	35 Å²	35	69.2 Å²	69.2	16%	0.164	33%	0.328	C	S	.	.	H	α-helix	trans	-61.9	-35	174	-67	-66	-37.4	0	0	112.4	A125 D130 V137	A125-Q133 HydrophobicContact CB-CB 3.79Å; D130-Q133 HydrophobicContact CB-CB 4.15Å; D130-Q133 HydrophobicContact CB-CG 4.06Å; D130-Q133 PolarHBondContact O-N 3.49Å; D130-Q133 PolarHBondContact OD1-N 2.84Å; D130-Q133 VanDerWaalsContact OD1-N 3.08Å; D130-Q133 WeakPolarHBondContact OD2-CG 3.49Å; Q133-V137 WeakPolarHBondContact O-CG2 3.5Å; Q133-V137 PolarHBondContact O-N 2.86Å
134	Y	85.9	Confident	85.5	Confident	82 Å²	82	65.3 Å²	65.3	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-67.1	-44.6	174.4	177	-104.2	0	0	0	112.2	L122 D130 F131 E132 M136 V137 K138 V183	L122-Y134 HydrophobicContact CD1-CD2 4.15Å; D130-Y134 PolarHBondContact O-N 2.81Å; F131-Y134 HydrophobicContact CE2-CD1 4.48Å; F131-Y134 WeakPolarHBondContact O-CB 3.17Å; F131-Y134 PolarHBondContact O-N 2.89Å; E132-Y134 VanDerWaalsContact C-N 3.27Å; E132-Y134 PolarHBondContact O-N 2.87Å; Y134-M136 VanDerWaalsContact C-N 3.31Å; Y134-M136 PolarHBondContact O-N 3.47Å; Y134-V137 WeakPolarHBondContact O-CB 3.43Å; Y134-V137 PolarHBondContact O-N 3.41Å; Y134-V137 VanDerWaalsContact O-N 3.13Å; Y134-K138 HydrophobicContact CD1-CG 4.4Å; Y134-K138 HydrophobicContact CE1-CD 4.47Å; Y134-K138 HydrophobicContact CE1-CG 3.89Å; Y134-K138 HydrophobicContact CE2-CD 4.43Å; Y134-K138 HydrophobicContact CE2-CG 4.27Å; Y134-K138 PolarHBondContact O-N 2.67Å; Y134-V183 HydrophobicContact CE2-CG1 3.69Å; Y134-V183 HydrophobicContact CE2-CG2 3.97Å
135	K	85.4	Confident	86.2	Confident	121 Å²	121	62 Å²	62	53%	0.526	30%	0.297	S	S	.	.	H	α-helix	trans	-58.5	-43.8	175.8	-174.2	-177.3	174.4	-170.2	0	111.3	F131 E132 V137 K138 E139	F131-K135 PolarHBondContact O-N 2.66Å; E132-K135 PolarHBondContact O-N 2.88Å; K135-V137 VanDerWaalsContact C-N 3.3Å; K135-V137 PolarHBondContact O-N 3.05Å; K135-K138 PolarHBondContact O-N 3.29Å; K135-E139 PolarHBondContact O-N 2.84Å
136	M	82.6	Confident	86.9	Confident	16 Å²	16	61.7 Å²	61.7	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-57.8	-40.3	174.8	-68.9	172.4	63.3	0	0	112.8	E132 Y134 A140 R418 N419	E132-M136 VanDerWaalsContact O-CG 3.28Å; E132-M136 WeakPolarHBondContact O-CG 3.4Å; E132-M136 PolarHBondContact O-N 2.84Å; Y134-M136 VanDerWaalsContact C-N 3.31Å; Y134-M136 PolarHBondContact O-N 3.47Å; M136-A140 WeakPolarHBondContact O-CB 3.28Å; M136-A140 PolarHBondContact O-N 3.47Å; M136-R418 HydrophobicContact CE-CB 4.34Å; M136-N419 WeakPolarHBondContact CE-OD1 3.04Å; M136-N419 VanDerWaalsContact CG-OD1 3.23Å; M136-N419 WeakPolarHBondContact CG-OD1 3.14Å; M136-N419 PolarHBondContact SD-OD1 3.14Å
137	V	87.6	Confident	87.4	Confident	1 Å²	1	58 Å²	58	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-65.8	-44.7	177.3	168.7	0	0	0	0	110.5	L122 Q133 Y134 K135 E139 A140 L141 Y180 V183	L122-V137 HydrophobicContact CB-CG1 4.38Å; L122-V137 HydrophobicContact CB-CG2 4.2Å; Q133-V137 WeakPolarHBondContact O-CG2 3.5Å; Q133-V137 PolarHBondContact O-N 2.86Å; Y134-V137 WeakPolarHBondContact O-CB 3.43Å; Y134-V137 PolarHBondContact O-N 3.41Å; Y134-V137 VanDerWaalsContact O-N 3.13Å; K135-V137 VanDerWaalsContact C-N 3.3Å; K135-V137 PolarHBondContact O-N 3.05Å; V137-E139 PolarHBondContact O-N 2.84Å; V137-A140 PolarHBondContact O-N 2.88Å; V137-L141 HydrophobicContact CG1-CD1 3.67Å; V137-L141 HydrophobicContact CG1-CG 4.39Å; V137-L141 WeakPolarHBondContact O-CB 3.42Å; V137-L141 WeakPolarHBondContact O-CD1 3.24Å; V137-L141 WeakPolarHBondContact O-CG 3.23Å; V137-L141 PolarHBondContact O-N 2.87Å; V137-Y180 HydrophobicContact CG1-CE2 4.48Å; V137-V183 HydrophobicContact CG1-CG1 4.16Å
138	K	89	Confident	88	Confident	76 Å²	76	52.8 Å²	52.8	33%	0.33	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-42.2	178	-69.1	-70.3	-76	172.2	0	112.2	Y134 K135 L141 H142 V183	Y134-K138 HydrophobicContact CD1-CG 4.4Å; Y134-K138 HydrophobicContact CE1-CD 4.47Å; Y134-K138 HydrophobicContact CE1-CG 3.89Å; Y134-K138 HydrophobicContact CE2-CD 4.43Å; Y134-K138 HydrophobicContact CE2-CG 4.27Å; Y134-K138 PolarHBondContact O-N 2.67Å; K135-K138 PolarHBondContact O-N 3.29Å; K138-L141 PolarHBondContact O-N 3.23Å; K138-H142 PolarHBondContact O-N 3.27Å; K138-V183 HydrophobicContact CD-CG1 3.74Å; K138-V183 HydrophobicContact CG-CG1 4.49Å; K138-V183 PolarHBondContact NZ-O 2.92Å
139	E	89.6	Confident	88.4	Confident	56 Å²	56	47.4 Å²	47.4	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-62.8	-50.5	174.9	-177.5	178.3	-106.8	0	0	111.1	K135 V137 L141 H142 E143 T439 A442	K135-E139 PolarHBondContact O-N 2.84Å; V137-E139 PolarHBondContact O-N 2.84Å; E139-L141 VanDerWaalsContact C-N 3.26Å; E139-L141 PolarHBondContact O-N 2.91Å; E139-H142 WeakPolarHBondContact O-CB 3.19Å; E139-H142 PolarHBondContact O-N 3Å; E139-E143 HydrophobicContact CG-CG 4.33Å; E139-E143 WeakPolarHBondContact O-CG 3.43Å; E139-E143 PolarHBondContact O-N 3.43Å; E139-T439 HydrophobicContact CG-CG2 4.36Å; E139-A442 HydrophobicContact CG-CB 4.36Å
140	A	91.1	Very high	89	Confident	9 Å²	9	39.9 Å²	39.9	7%	0.074	18%	0.184	C	C	.	.	H	α-helix	trans	-59.7	-36.4	178.8	0	0	0	0	0	112.9	M136 V137 R144 T438	M136-A140 WeakPolarHBondContact O-CB 3.28Å; M136-A140 PolarHBondContact O-N 3.47Å; V137-A140 PolarHBondContact O-N 2.88Å; A140-R144 WeakPolarHBondContact O-CB 3.39Å; A140-R144 PolarHBondContact O-N 3.48Å; A140-T438 HydrophobicContact CB-CG2 4.14Å; A140-T438 WeakPolarHBondContact O-CG2 3.36Å
141	L	91.4	Very high	89.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.5	-40.5	174.9	-74.2	164.9	0	0	0	112.3	V137 K138 E139 R144 A145 Y180 V183 A184 Q187	V137-L141 HydrophobicContact CG1-CD1 3.67Å; V137-L141 HydrophobicContact CG1-CG 4.39Å; V137-L141 WeakPolarHBondContact O-CB 3.42Å; V137-L141 WeakPolarHBondContact O-CD1 3.24Å; V137-L141 WeakPolarHBondContact O-CG 3.23Å; V137-L141 PolarHBondContact O-N 2.87Å; K138-L141 PolarHBondContact O-N 3.23Å; E139-L141 VanDerWaalsContact C-N 3.26Å; E139-L141 PolarHBondContact O-N 2.91Å; L141-R144 VanDerWaalsContact CD2-NH2 3.26Å; L141-A145 PolarHBondContact O-N 2.7Å; L141-A145 VanDerWaalsContact O-N 3.15Å; L141-Y180 HydrophobicContact CD1-CE2 4.4Å; L141-Y180 HydrophobicContact CD2-CE1 4.39Å; L141-Y180 HydrophobicContact CD2-CE2 4.05Å; L141-Y180 VanDerWaalsContact CD2-OH 3.23Å; L141-Y180 WeakPolarHBondContact CD2-OH 3.45Å; L141-V183 HydrophobicContact CD1-CG1 4.07Å; L141-A184 HydrophobicContact CD1-CB 4.09Å; L141-A184 HydrophobicContact CD2-CB 3.9Å; L141-Q187 VanDerWaalsContact C-OE1 3.3Å
142	H	91.9	Very high	90.4	Very high	52 Å²	52	31.6 Å²	31.6	24%	0.241	15%	0.148	C	C	.	.	H	α-helix	trans	-65.4	-49.4	176.1	179.7	61.1	0	0	0	111.4	K138 E139 R144 A145 N146 Q187	K138-H142 PolarHBondContact O-N 3.27Å; E139-H142 WeakPolarHBondContact O-CB 3.19Å; E139-H142 PolarHBondContact O-N 3Å; H142-R144 VanDerWaalsContact C-N 3.32Å; H142-R144 PolarHBondContact O-N 2.92Å; H142-A145 PolarHBondContact O-N 3.15Å; H142-N146 PolarHBondContact O-N 2.94Å; H142-Q187 VanDerWaalsContact N-OE1 3.09Å; H142-Q187 PolarHBondContact ND1-NE2 3.43Å
143	E	94.4	Very high	91.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-65.1	-36.5	179.9	-64.7	-55.7	122.7	0	0	112.2	E139 N146 L147 T438 R441 A442	E139-E143 HydrophobicContact CG-CG 4.33Å; E139-E143 WeakPolarHBondContact O-CG 3.43Å; E139-E143 PolarHBondContact O-N 3.43Å; E143-N146 PolarHBondContact O-N 3.3Å; E143-L147 WeakPolarHBondContact O-CB 3.45Å; E143-L147 PolarHBondContact O-N 2.8Å; E143-T438 HydrophobicContact CB-CG2 4.35Å; E143-T438 WeakPolarHBondContact CB-O 3.27Å; E143-R441 IonicContact OE1-CZ 3.4Å; E143-R441 IonicContact OE1-NE 3.39Å; E143-R441 PolarHBondContact OE1-NE 3.19Å; E143-R441 VanDerWaalsContact OE1-NE 3.16Å; E143-R441 IonicContact OE1-NH2 2.72Å; E143-R441 PolarHBondContact OE1-NH2 2.88Å; E143-R441 WeakPolarHBondContact OE2-CB 2.95Å; E143-R441 IonicContact OE2-CZ 3.52Å; E143-R441 IonicContact OE2-NE 2.82Å; E143-R441 PolarHBondContact OE2-NE 3.42Å; E143-R441 IonicContact OE2-NH2 3.25Å; E143-A442 HydrophobicContact CG-CB 4.3Å
144	R	94.8	Very high	92	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-59.2	-48.5	172.5	-179	-174.8	70.5	176.1	4.6	111.3	I115 A140 L141 H142 N146 L147 L148 Y180 Q187 Y219 D220	I115-R144 HydrophobicContact CB-CG 4.33Å; I115-R144 HydrophobicContact CG2-CB 3.78Å; I115-R144 HydrophobicContact CG2-CG 3.76Å; I115-R144 VanDerWaalsContact O-CD 3.31Å; I115-R144 WeakPolarHBondContact O-CD 3.17Å; A140-R144 WeakPolarHBondContact O-CB 3.39Å; A140-R144 PolarHBondContact O-N 3.48Å; L141-R144 VanDerWaalsContact CD2-NH2 3.26Å; H142-R144 VanDerWaalsContact C-N 3.32Å; H142-R144 PolarHBondContact O-N 2.92Å; R144-N146 VanDerWaalsContact C-N 3.35Å; R144-L147 PolarHBondContact O-N 3.35Å; R144-L148 HydrophobicContact CG-CD1 4.03Å; R144-L148 WeakPolarHBondContact O-CD1 3.4Å; R144-L148 PolarHBondContact O-N 3.13Å; R144-Y180 PolarHBondContact NH1-OH 2.9Å; R144-Q187 PolarHBondContact NH2-O 3.45Å; R144-Y219 PolarHBondContact NH1-O 2.87Å; R144-D220 IonicContact CZ-OD1 2.67Å; R144-D220 IonicContact NH1-OD1 2.94Å; R144-D220 PolarHBondContact NH1-OD1 3.48Å
145	A	92.3	Very high	92.4	Very high	10 Å²	10	22.6 Å²	22.6	8%	0.083	11%	0.11	C	C	.	.	H	α-helix	trans	-60.7	-46.1	178.6	0	0	0	0	0	111.2	V40 L141 H142 L147 L148 E149 Q187	V40-A145 HydrophobicContact CG2-CB 4Å; L141-A145 PolarHBondContact O-N 2.7Å; L141-A145 VanDerWaalsContact O-N 3.15Å; H142-A145 PolarHBondContact O-N 3.15Å; A145-L147 PolarHBondContact O-N 3.23Å; A145-L148 PolarHBondContact O-N 2.88Å; A145-E149 PolarHBondContact O-N 3.32Å; A145-Q187 HydrophobicContact CB-CB 4.31Å; A145-Q187 HydrophobicContact CB-CG 4.36Å
146	N	94.2	Very high	92.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.6	-44.6	176.7	179.3	76.9	0	0	0	112.2	H142 E143 R144 L148 E149 I150 G466	H142-N146 PolarHBondContact O-N 2.94Å; E143-N146 PolarHBondContact O-N 3.3Å; R144-N146 VanDerWaalsContact C-N 3.35Å; N146-L148 PolarHBondContact O-N 3.33Å; N146-E149 WeakPolarHBondContact O-CB 3.24Å; N146-E149 PolarHBondContact O-N 3.19Å; N146-E149 VanDerWaalsContact O-N 3.08Å; N146-I150 WeakPolarHBondContact O-CG1 3.38Å; N146-I150 WeakPolarHBondContact O-CG2 3.29Å; N146-I150 PolarHBondContact O-N 3.26Å; N146-G466 PolarHBondContact OD1-N 2.73Å
147	L	94.8	Very high	93.3	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.1	-43.3	179.8	-90.9	160	0	0	0	113.5	I115 E143 R144 A145 E149 I150 A151 S155 M228 W437 Y440	I115-L147 HydrophobicContact CD1-CB 3.96Å; I115-L147 HydrophobicContact CD1-CD1 4.04Å; I115-L147 HydrophobicContact CD1-CG 4.46Å; I115-L147 HydrophobicContact CG1-CD1 4.34Å; I115-L147 HydrophobicContact CG2-CD1 3.71Å; E143-L147 WeakPolarHBondContact O-CB 3.45Å; E143-L147 PolarHBondContact O-N 2.8Å; R144-L147 PolarHBondContact O-N 3.35Å; A145-L147 PolarHBondContact O-N 3.23Å; L147-E149 PolarHBondContact O-N 3.26Å; L147-I150 HydrophobicContact CD2-CD1 4.43Å; L147-A151 PolarHBondContact O-N 2.99Å; L147-S155 PolarHBondContact O-OG 2.88Å; L147-M228 HydrophobicContact CD2-CE 4.08Å; L147-M228 HydrophobicContact CD2-CG 4.44Å; L147-M228 HydrophobicContact CD2-SD 4.13Å; L147-W437 HydrophobicContact CD1-CE3 4.1Å; L147-W437 HydrophobicContact CD1-CZ3 3.58Å; L147-W437 HydrophobicContact CD2-CH2 3.84Å; L147-W437 HydrophobicContact CD2-CZ3 3.49Å; L147-W437 VanDerWaalsContact CD2-CZ3 3.49Å; L147-W437 HydrophobicContact CG-CZ3 4.14Å; L147-Y440 HydrophobicContact CD1-CD1 4.49Å; L147-Y440 HydrophobicContact CD1-CE1 4.15Å; L147-Y440 HydrophobicContact CD2-CE1 3.71Å; L147-Y440 HydrophobicContact CG-CE1 4.05Å
148	L	93.6	Very high	93.6	Very high	27 Å²	27	21.3 Å²	21.3	14%	0.141	12%	0.119	C	C	.	.	H	α-helix	trans	-65.8	-26.5	177.2	-86.4	78.7	0	0	0	112.5	I115 R144 A145 N146 P152 S155 P157 L189	I115-L148 HydrophobicContact CD1-CD1 4.27Å; R144-L148 HydrophobicContact CG-CD1 4.03Å; R144-L148 WeakPolarHBondContact O-CD1 3.4Å; R144-L148 PolarHBondContact O-N 3.13Å; A145-L148 PolarHBondContact O-N 2.88Å; N146-L148 PolarHBondContact O-N 3.33Å; L148-P152 WeakPolarHBondContact O-CA 3.16Å; L148-S155 WeakPolarHBondContact CA-OG 3.29Å; L148-P157 HydrophobicContact CD2-CB 4.32Å; L148-L189 HydrophobicContact CD2-CD1 4.18Å; L148-L189 HydrophobicContact CD2-CD2 3.73Å
149	E	92.1	Very high	93.9	Very high	44 Å²	44	18.6 Å²	18.6	21%	0.206	11%	0.109	C	C	.	.	H	α-helix	trans	-83.5	-45	178.9	-175	176.1	159.7	0	0	112.6	V40 A145 N146 L147 A151 P152	V40-E149 WeakPolarHBondContact CB-OE2 3.12Å; V40-E149 WeakPolarHBondContact CG2-OE2 3.29Å; V40-E149 PolarHBondContact N-OE2 3Å; V40-E149 VanDerWaalsContact N-OE2 3.12Å; A145-E149 PolarHBondContact O-N 3.32Å; N146-E149 WeakPolarHBondContact O-CB 3.24Å; N146-E149 PolarHBondContact O-N 3.19Å; N146-E149 VanDerWaalsContact O-N 3.08Å; L147-E149 PolarHBondContact O-N 3.26Å; E149-A151 VanDerWaalsContact C-N 3.32Å; E149-A151 PolarHBondContact O-N 3.33Å; E149-P152 WeakPolarHBondContact O-CD 3.42Å
150	I	95.3	Very high	94.1	Very high	2 Å²	2	16 Å²	16	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-76	-20.7	-175	67.3	174.3	0	0	0	113.6	N146 L147 L467 L469 A472	N146-I150 WeakPolarHBondContact O-CG1 3.38Å; N146-I150 WeakPolarHBondContact O-CG2 3.29Å; N146-I150 PolarHBondContact O-N 3.26Å; L147-I150 HydrophobicContact CD2-CD1 4.43Å; I150-L467 VanDerWaalsContact CB-O 3.28Å; I150-L467 WeakPolarHBondContact CB-O 3.39Å; I150-L467 VanDerWaalsContact CG2-O 3.31Å; I150-L467 WeakPolarHBondContact CG2-O 3.08Å; I150-L469 HydrophobicContact CB-CG 4.49Å; I150-L469 HydrophobicContact CD1-CD1 4.1Å; I150-L469 HydrophobicContact CD1-CD2 4.38Å; I150-L469 HydrophobicContact CD1-CG 4.03Å; I150-L469 HydrophobicContact CG1-CD1 4.38Å; I150-L469 HydrophobicContact CG1-CG 4.21Å; I150-L469 PolarHBondContact O-N 2.73Å; I150-A472 WeakPolarHBondContact O-CB 3.44Å
151	A	96.6	Very high	94.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.094	C	C	.	.			trans	-145.9	67.4	-179.2	0	0	0	0	0	111.3	L147 E149 H153 L154 S155 M228 L469	L147-A151 PolarHBondContact O-N 2.99Å; E149-A151 VanDerWaalsContact C-N 3.32Å; E149-A151 PolarHBondContact O-N 3.33Å; A151-H153 PolarHBondContact O-N 3.29Å; A151-L154 HydrophobicContact CB-CB 4.36Å; A151-L154 PolarHBondContact O-N 3.42Å; A151-L154 VanDerWaalsContact O-N 3.15Å; A151-S155 PolarHBondContact O-N 3.42Å; A151-S155 VanDerWaalsContact O-N 3.12Å; A151-S155 PolarHBondContact O-OG 3.21Å; A151-M228 HydrophobicContact CB-CE 3.68Å; A151-M228 HydrophobicContact CB-SD 3.51Å; A151-M228 VanDerWaalsContact CB-SD 3.51Å; A151-L469 HydrophobicContact CB-CB 4.41Å; A151-L469 HydrophobicContact CB-CD1 4.05Å; A151-L469 HydrophobicContact CB-CG 4.44Å
152	P	95.7	Very high	94.3	Very high	26 Å²	26	16 Å²	16	17%	0.169	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-15.5	-174.3	31.4	-37.4	0	0	0	113.2	L148 E149 S155 W475	L148-P152 WeakPolarHBondContact O-CA 3.16Å; E149-P152 WeakPolarHBondContact O-CD 3.42Å; P152-S155 VanDerWaalsContact O-O 3.13Å; P152-W475 HydrophobicContact CB-CE3 3.72Å; P152-W475 HydrophobicContact CB-CH2 4.43Å; P152-W475 HydrophobicContact CB-CZ3 3.66Å; P152-W475 HydrophobicContact CG-CD2 4.26Å; P152-W475 HydrophobicContact CG-CE3 3.61Å; P152-W475 HydrophobicContact CG-CZ3 4.1Å; P152-W475 WeakPolarHBondContact O-CH2 3.4Å
153	H	96.3	Very high	94.4	Very high	14 Å²	14	13.8 Å²	13.8	7%	0.065	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-36.5	172.9	61.9	-72.2	0	0	0	111.8	A151 E470 A472 W475 S499 G502	A151-H153 PolarHBondContact O-N 3.29Å; H153-E470 PolarHBondContact CE1-O 3.48Å; H153-E470 VanDerWaalsContact CE1-O 3.3Å; H153-E470 PolarHBondContact NE2-O 3.03Å; H153-A472 PolarHBondContact CE1-N 2.76Å; H153-W475 VanDerWaalsContact CB-CD1 3.49Å; H153-W475 HydrophobicContact CB-CD2 4.02Å; H153-W475 HydrophobicContact CB-CG 3.77Å; H153-S499 CarbonylContact C-O 3.58Å; H153-S499 VanDerWaalsContact C-O 3.23Å; H153-S499 CarbonylContact O-C 3.52Å; H153-G502 PolarHBondContact CD2-N 3.03Å
154	L	96.7	Very high	94.3	Very high	9 Å²	9	13.8 Å²	13.8	5%	0.047	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-8.4	-176.5	-61.6	176.5	0	0	0	114.2	A151 H223 N224 R227 M228 A231 T500	A151-L154 HydrophobicContact CB-CB 4.36Å; A151-L154 PolarHBondContact O-N 3.42Å; A151-L154 VanDerWaalsContact O-N 3.15Å; L154-H223 CarbonylContact O-C 3.55Å; L154-H223 WeakPolarHBondContact O-CA 3.36Å; L154-H223 WeakPolarHBondContact O-CB 3.48Å; L154-N224 PolarHBondContact O-N 2.62Å; L154-R227 HydrophobicContact CD1-CB 4.27Å; L154-R227 HydrophobicContact CD2-CB 3.66Å; L154-R227 HydrophobicContact CD2-CG 4.47Å; L154-M228 HydrophobicContact CB-CE 3.67Å; L154-M228 HydrophobicContact CB-SD 4.27Å; L154-M228 HydrophobicContact CD1-CB 4.35Å; L154-M228 HydrophobicContact CD1-SD 4.16Å; L154-A231 HydrophobicContact CD1-CB 3.88Å; L154-T500 WeakPolarHBondContact CD2-O 3.44Å
155	S	95.4	Very high	94.2	Very high	8 Å²	8	15.2 Å²	15.2	6%	0.056	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	146.3	-177.3	63.5	0	0	0	0	112.4	L147 L148 A151 P152 Q222	L147-S155 PolarHBondContact O-OG 2.88Å; L148-S155 WeakPolarHBondContact CA-OG 3.29Å; A151-S155 PolarHBondContact O-N 3.42Å; A151-S155 VanDerWaalsContact O-N 3.12Å; A151-S155 PolarHBondContact O-OG 3.21Å; P152-S155 VanDerWaalsContact O-O 3.13Å; S155-Q222 CarbonylContact C-O 3.51Å; S155-Q222 WeakPolarHBondContact CA-O 3.27Å; S155-Q222 WeakPolarHBondContact CB-O 3.19Å
156	A	92.9	Very high	94.2	Very high	49 Å²	49	20.1 Å²	20.1	41%	0.405	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	156.3	-174.3	0	0	0	0	0	111.5	L158 Q222	A156-L158 PolarHBondContact O-N 2.6Å; A156-Q222 PolarHBondContact N-O 3.41Å; A156-Q222 PolarHBondContact O-N 3.44Å
157	P	94.1	Very high	94.1	Very high	56 Å²	56	29.5 Å²	29.5	36%	0.364	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.6	170.8	29.6	-33.3	0	0	0	110.5	L148 L189	L148-P157 HydrophobicContact CD2-CB 4.32Å; P157-L189 HydrophobicContact CB-CB 4.36Å; P157-L189 HydrophobicContact CB-CD1 4.02Å
158	L	93.9	Very high	93.9	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.1	176.2	-179.8	69.8	0	0	0	109.9	L114 A156 I160 D220 Q222 L344 P345	L114-L158 HydrophobicContact CD2-CD2 3.88Å; A156-L158 PolarHBondContact O-N 2.6Å; L158-I160 HydrophobicContact CD2-CG1 4.28Å; L158-I160 HydrophobicContact CG-CG1 4.31Å; L158-D220 PolarHBondContact N-O 3.43Å; L158-D220 PolarHBondContact O-N 3.31Å; L158-D220 VanDerWaalsContact O-N 3.07Å; L158-Q222 HydrophobicContact CB-CB 3.94Å; L158-Q222 HydrophobicContact CD2-CB 4.18Å; L158-Q222 HydrophobicContact CD2-CG 4.47Å; L158-L344 HydrophobicContact CD2-CD2 3.85Å; L158-P345 HydrophobicContact CD1-CG 3.96Å
159	P	94.9	Very high	93.9	Very high	19 Å²	19	35.7 Å²	35.7	12%	0.123	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	135.4	166.7	27.4	-30.3	0	0	0	110	V217 Y218 Y219 H327 M328 G329	P159-V217 HydrophobicContact CB-CG1 3.69Å; P159-Y218 CarbonylContact C-O 3.42Å; P159-Y218 WeakPolarHBondContact CA-O 3.39Å; P159-Y219 HydrophobicContact CB-CD1 3.98Å; P159-Y219 HydrophobicContact CB-CE1 3.59Å; P159-Y219 HydrophobicContact CG-CE1 4.11Å; P159-H327 VanDerWaalsContact CD-O 3.26Å; P159-H327 WeakPolarHBondContact CD-O 3.4Å; P159-H327 WeakPolarHBondContact CG-O 3.49Å; P159-M328 HydrophobicContact CB-CE 4.3Å; P159-M328 HydrophobicContact CB-CG 4.19Å; P159-M328 HydrophobicContact CG-CB 4.18Å; P159-M328 HydrophobicContact CG-CE 4.34Å; P159-M328 HydrophobicContact CG-CG 4.15Å; P159-M328 CarbonylContact O-C 3.54Å; P159-M328 WeakPolarHBondContact O-CA 3.35Å; P159-M328 WeakPolarHBondContact O-CG 3.42Å; P159-G329 PolarHBondContact O-N 3.32Å
160	I	94	Very high	93.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.6	178.9	-57.6	178.6	0	0	0	108.3	L158 V217 Y218 D220 G329 L331 F342	L158-I160 HydrophobicContact CD2-CG1 4.28Å; L158-I160 HydrophobicContact CG-CG1 4.31Å; I160-V217 WeakPolarHBondContact O-CA 3.41Å; I160-Y218 HydrophobicContact CB-CD1 4.23Å; I160-Y218 HydrophobicContact CB-CE1 3.75Å; I160-Y218 HydrophobicContact CD1-CE2 4.35Å; I160-Y218 HydrophobicContact CG2-CE1 3.75Å; I160-Y218 PolarHBondContact N-O 3.34Å; I160-Y218 WeakPolarHBondContact O-CD1 3.43Å; I160-Y218 PolarHBondContact O-N 3.43Å; I160-Y218 VanDerWaalsContact O-N 3.11Å; I160-D220 HydrophobicContact CD1-CB 3.94Å; I160-G329 CarbonylContact C-O 3.5Å; I160-G329 WeakPolarHBondContact CA-O 3.25Å; I160-L331 HydrophobicContact CG2-CB 3.69Å; I160-F342 HydrophobicContact CD1-CE1 4.4Å
161	M	94.1	Very high	93.8	Very high	2 Å²	2	39 Å²	39	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126.8	178.1	-171.3	-173.3	-58.7	0	0	110.8	L195 A200 A215 V217 M328 G329 L330 L331	M161-L195 HydrophobicContact CE-CD1 3.86Å; M161-A200 HydrophobicContact SD-CB 4.28Å; M161-A215 HydrophobicContact CG-CB 3.55Å; M161-A215 HydrophobicContact SD-CB 3.75Å; M161-V217 HydrophobicContact CB-CG2 4.35Å; M161-V217 HydrophobicContact CG-CG2 4.3Å; M161-M328 HydrophobicContact CB-CG 4.25Å; M161-M328 HydrophobicContact CB-SD 3.84Å; M161-M328 HydrophobicContact CE-SD 3.38Å; M161-M328 WeakPolarHBondContact CE-SD 3.47Å; M161-G329 PolarHBondContact N-O 3.18Å; M161-L330 HydrophobicContact CB-CD1 4.36Å; M161-L330 WeakPolarHBondContact O-CA 3.4Å; M161-L331 PolarHBondContact O-N 2.97Å
162	L	93.3	Very high	93.6	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	102.7	169.9	-180	67.4	0	0	0	109.2	Y173 A215 I216 L331 P333	L162-Y173 HydrophobicContact CD2-CD1 4.25Å; L162-Y173 HydrophobicContact CD2-CD2 3.89Å; L162-Y173 HydrophobicContact CD2-CE2 4.41Å; L162-Y173 HydrophobicContact CD2-CG 3.82Å; L162-A215 CarbonylContact O-C 3.48Å; L162-A215 VanDerWaalsContact O-CA 3.27Å; L162-A215 WeakPolarHBondContact O-CA 3.26Å; L162-I216 PolarHBondContact N-O 3.03Å; L162-I216 PolarHBondContact O-N 3.25Å; L162-L331 HydrophobicContact CD1-CB 4.34Å; L162-L331 HydrophobicContact CD1-CD2 4.16Å; L162-L331 HydrophobicContact CD1-CG 4.14Å; L162-P333 HydrophobicContact CD1-CB 3.91Å; L162-P333 HydrophobicContact CD1-CG 3.68Å
163	P	92.8	Very high	93.3	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.039	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	140	177.4	31.7	-35.6	0	0	0	111	Y165 L207 L212 L330 L331 Y382	P163-Y165 HydrophobicContact CB-CE2 3.92Å; P163-Y165 HydrophobicContact CG-CE2 4.14Å; P163-L207 HydrophobicContact CB-CD1 3.96Å; P163-L207 HydrophobicContact CB-CD2 3.92Å; P163-L207 HydrophobicContact CG-CD1 4.15Å; P163-L212 HydrophobicContact CB-CD1 4.1Å; P163-L330 HydrophobicContact CG-CD1 3.96Å; P163-L331 WeakPolarHBondContact CD-O 3.3Å; P163-Y382 HydrophobicContact CG-CD1 4.38Å; P163-Y382 HydrophobicContact CG-CE1 4.34Å
164	V	93.1	Very high	93.2	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.4	-175.6	-176.4	0	0	0	0	111	K166 Q169 L170 Y173 V213 G214 I216	V164-K166 VanDerWaalsContact CG1-O 3.31Å; V164-K166 WeakPolarHBondContact CG1-O 3.35Å; V164-Q169 HydrophobicContact CG1-CB 3.69Å; V164-L170 HydrophobicContact CB-CD1 4.2Å; V164-L170 HydrophobicContact CG1-CB 4.05Å; V164-L170 HydrophobicContact CG1-CD1 4.44Å; V164-L170 HydrophobicContact CG2-CD1 3.94Å; V164-Y173 HydrophobicContact CG2-CD2 4.12Å; V164-V213 WeakPolarHBondContact O-CB 3.37Å; V164-V213 PolarHBondContact O-N 2.98Å; V164-G214 PolarHBondContact N-O 3.17Å; V164-I216 HydrophobicContact CG2-CD1 4.39Å
165	Y	91.4	Very high	93	Very high	31 Å²	31	51 Å²	51	12%	0.122	25%	0.248	C	C	.	.			trans	-107.7	-5.1	-175.3	-65.8	-88.1	0	0	0	114.5	P163 L207 R208 D210 K211 L212 Y382	P163-Y165 HydrophobicContact CB-CE2 3.92Å; P163-Y165 HydrophobicContact CG-CE2 4.14Å; Y165-L207 WeakPolarHBondContact OH-CD1 3.46Å; Y165-R208 HydrophobicContact CE1-CB 4.22Å; Y165-R208 WeakPolarHBondContact CE1-O 3.35Å; Y165-R208 PolarHBondContact OH-O 3.35Å; Y165-D210 WeakPolarHBondContact CD1-O 3.45Å; Y165-D210 WeakPolarHBondContact CE1-O 3.48Å; Y165-K211 CarbonylContact C-O 3.57Å; Y165-K211 WeakPolarHBondContact CA-O 3.44Å; Y165-K211 HydrophobicContact CD1-CB 4.42Å; Y165-K211 VanDerWaalsContact O-O 3.06Å; Y165-L212 HydrophobicContact CD1-CB 4.26Å; Y165-L212 HydrophobicContact CD1-CD1 4.45Å; Y165-L212 HydrophobicContact CE1-CB 4.04Å; Y165-L212 HydrophobicContact CE1-CD1 4.09Å; Y165-Y382 HydrophobicContact CE2-CD1 4.49Å; Y165-Y382 HydrophobicContact CE2-CE1 4.19Å
166	K	92.8	Very high	92.8	Very high	113 Å²	113	52.4 Å²	52.4	49%	0.491	26%	0.263	S	S	.	.	S	Bend	trans	-124.2	132.8	173.7	-57.7	179.1	-178.3	175	0	109.5	V164 W168 Q169	V164-K166 VanDerWaalsContact CG1-O 3.31Å; V164-K166 WeakPolarHBondContact CG1-O 3.35Å; K166-W168 VanDerWaalsContact C-N 3.28Å; K166-W168 HydrophobicContact CD-CZ2 4.03Å; K166-W168 PolarHBondContact O-N 2.97Å; K166-Q169 HydrophobicContact CB-CB 4.34Å; K166-Q169 HydrophobicContact CB-CG 3.97Å; K166-Q169 WeakPolarHBondContact O-CB 3.37Å; K166-Q169 PolarHBondContact O-N 3.42Å
167	W	92.4	Very high	92.8	Very high	198 Å²	198	50.5 Å²	50.5	75%	0.75	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-36.5	-173.4	68.6	-93.7	0	0	0	113.3	Q169 L170 P171 V213	W167-Q169 VanDerWaalsContact C-N 3.34Å; W167-L170 PolarHBondContact O-N 2.94Å; W167-P171 WeakPolarHBondContact O-CD 3.36Å; W167-V213 HydrophobicContact CB-CG2 4.5Å
168	W	91.7	Very high	92.7	Very high	124 Å²	124	50.7 Å²	50.7	47%	0.47	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-22.6	179.7	67.3	-100	0	0	0	113.3	K166 L170 P171	K166-W168 VanDerWaalsContact C-N 3.28Å; K166-W168 HydrophobicContact CD-CZ2 4.03Å; K166-W168 PolarHBondContact O-N 2.97Å; W168-L170 VanDerWaalsContact C-N 3.27Å; W168-L170 PolarHBondContact O-N 3.25Å; W168-P171 VanDerWaalsContact O-CD 3.31Å; W168-P171 WeakPolarHBondContact O-CD 3.32Å; W168-P171 WeakPolarHBondContact O-CG 3.23Å
169	Q	91.7	Very high	92.6	Very high	33 Å²	33	53.4 Å²	53.4	15%	0.154	26%	0.255	C	S	.	.	H	α-helix	trans	-70.7	-27.9	177.7	-77.3	178.1	-38.3	0	0	111.5	V164 K166 W167 Y172 Y173	V164-Q169 HydrophobicContact CG1-CB 3.69Å; K166-Q169 HydrophobicContact CB-CB 4.34Å; K166-Q169 HydrophobicContact CB-CG 3.97Å; K166-Q169 WeakPolarHBondContact O-CB 3.37Å; K166-Q169 PolarHBondContact O-N 3.42Å; W167-Q169 VanDerWaalsContact C-N 3.34Å; Q169-Y172 PolarHBondContact O-N 2.85Å; Q169-Y173 HydrophobicContact CB-CD2 3.91Å; Q169-Y173 HydrophobicContact CB-CE2 3.69Å; Q169-Y173 HydrophobicContact CG-CE2 4.06Å; Q169-Y173 WeakPolarHBondContact O-CB 3.22Å; Q169-Y173 VanDerWaalsContact O-CD2 3.22Å; Q169-Y173 WeakPolarHBondContact O-CD2 3.36Å; Q169-Y173 PolarHBondContact O-N 3.43Å
170	L	92.8	Very high	92.4	Very high	39 Å²	39	52.6 Å²	52.6	20%	0.204	25%	0.25	C	S	.	.	H	α-helix	trans	-61.4	-55.6	-179	-170.7	69.9	0	0	0	112.3	V164 W167 W168 Y172 W174 V194 V213 I216	V164-L170 HydrophobicContact CB-CD1 4.2Å; V164-L170 HydrophobicContact CG1-CB 4.05Å; V164-L170 HydrophobicContact CG1-CD1 4.44Å; V164-L170 HydrophobicContact CG2-CD1 3.94Å; W167-L170 PolarHBondContact O-N 2.94Å; W168-L170 VanDerWaalsContact C-N 3.27Å; W168-L170 PolarHBondContact O-N 3.25Å; L170-Y172 VanDerWaalsContact C-N 3.29Å; L170-Y172 PolarHBondContact O-N 3.33Å; L170-W174 WeakPolarHBondContact O-CB 3.43Å; L170-W174 PolarHBondContact O-N 3.47Å; L170-V194 HydrophobicContact CD1-CG1 4.21Å; L170-V194 HydrophobicContact CD2-CG1 4.49Å; L170-V213 HydrophobicContact CD2-CG1 4.35Å; L170-I216 HydrophobicContact CD1-CD1 4.05Å; L170-I216 HydrophobicContact CD1-CG1 3.91Å
171	P	94.1	Very high	92.2	Very high	77 Å²	77	53.5 Å²	53.5	50%	0.5	26%	0.255	S	S	.	.	H	α-helix	trans	-63.7	-33.7	176.3	24.8	-34.1	0	0	0	112.7	W167 W168 A175	W167-P171 WeakPolarHBondContact O-CD 3.36Å; W168-P171 VanDerWaalsContact O-CD 3.31Å; W168-P171 WeakPolarHBondContact O-CD 3.32Å; W168-P171 WeakPolarHBondContact O-CG 3.23Å; P171-A175 WeakPolarHBondContact O-CB 3.28Å; P171-A175 PolarHBondContact O-N 2.94Å
172	Y	90.6	Very high	92.1	Very high	102 Å²	102	59.7 Å²	59.7	40%	0.4	29%	0.287	S	S	.	.	H	α-helix	trans	-63.3	-55.3	177.5	173.7	-103.4	0	0	0	112.4	Q123 Q169 L170 W174 A175 G176	Q123-Y172 PolarHBondContact NE2-OH 3.09Å; Q169-Y172 PolarHBondContact O-N 2.85Å; L170-Y172 VanDerWaalsContact C-N 3.29Å; L170-Y172 PolarHBondContact O-N 3.33Å; Y172-W174 VanDerWaalsContact C-N 3.3Å; Y172-W174 PolarHBondContact O-N 3.24Å; Y172-A175 PolarHBondContact O-N 3Å; Y172-G176 PolarHBondContact O-N 3.02Å; Y172-G176 VanDerWaalsContact O-N 3.12Å
173	Y	91.3	Very high	91.8	Very high	52 Å²	52	60 Å²	60	20%	0.204	29%	0.29	C	S	.	.	H	α-helix	trans	-65.7	-36.3	178.3	-68.5	-43.4	0	0	0	111.4	L162 V164 Q169 A175 G176 I177	L162-Y173 HydrophobicContact CD2-CD1 4.25Å; L162-Y173 HydrophobicContact CD2-CD2 3.89Å; L162-Y173 HydrophobicContact CD2-CE2 4.41Å; L162-Y173 HydrophobicContact CD2-CG 3.82Å; V164-Y173 HydrophobicContact CG2-CD2 4.12Å; Q169-Y173 HydrophobicContact CB-CD2 3.91Å; Q169-Y173 HydrophobicContact CB-CE2 3.69Å; Q169-Y173 HydrophobicContact CG-CE2 4.06Å; Q169-Y173 WeakPolarHBondContact O-CB 3.22Å; Q169-Y173 VanDerWaalsContact O-CD2 3.22Å; Q169-Y173 WeakPolarHBondContact O-CD2 3.36Å; Q169-Y173 PolarHBondContact O-N 3.43Å; Y173-A175 PolarHBondContact O-N 2.86Å; Y173-G176 PolarHBondContact O-N 3.11Å; Y173-I177 WeakPolarHBondContact O-CB 3.46Å; Y173-I177 VanDerWaalsContact O-CG1 3.31Å; Y173-I177 WeakPolarHBondContact O-CG1 3.23Å; Y173-I177 PolarHBondContact O-N 3.31Å
174	W	94.2	Very high	91.5	Very high	85 Å²	85	59.9 Å²	59.9	32%	0.322	29%	0.289	S	S	.	.	H	α-helix	trans	-60.2	-45.6	176.3	177.6	-117.9	0	0	0	112	L170 Y172 I177 K178 S192 V194 I216	L170-W174 WeakPolarHBondContact O-CB 3.43Å; L170-W174 PolarHBondContact O-N 3.47Å; Y172-W174 VanDerWaalsContact C-N 3.3Å; Y172-W174 PolarHBondContact O-N 3.24Å; W174-I177 PolarHBondContact O-N 3.29Å; W174-K178 HydrophobicContact CD2-CG 4.02Å; W174-K178 HydrophobicContact CE3-CG 4.27Å; W174-K178 HydrophobicContact CH2-CD 4.17Å; W174-K178 HydrophobicContact CH2-CG 4.22Å; W174-K178 HydrophobicContact CZ2-CD 4.06Å; W174-K178 HydrophobicContact CZ2-CG 3.9Å; W174-K178 HydrophobicContact CZ3-CG 4.36Å; W174-K178 WeakPolarHBondContact O-CB 3.44Å; W174-K178 WeakPolarHBondContact O-CG 3.4Å; W174-K178 PolarHBondContact O-N 2.78Å; W174-S192 WeakPolarHBondContact CH2-O 3.39Å; W174-V194 HydrophobicContact CD2-CG2 3.7Å; W174-V194 HydrophobicContact CE3-CG2 3.42Å; W174-V194 VanDerWaalsContact CE3-CG2 3.42Å; W174-V194 HydrophobicContact CG-CG2 4.34Å; W174-V194 HydrophobicContact CH2-CG2 4.01Å; W174-V194 HydrophobicContact CZ2-CG2 4.3Å; W174-V194 HydrophobicContact CZ3-CG2 3.6Å; W174-I216 HydrophobicContact CB-CD1 4.15Å; W174-I216 HydrophobicContact CE3-CG2 4.2Å
175	A	92.4	Very high	91.3	Very high	61 Å²	61	61.7 Å²	61.7	50%	0.504	31%	0.308	S	S	.	.	H	α-helix	trans	-61.6	-44	175.6	0	0	0	0	0	112	P171 Y172 Y173 K178 L179	P171-A175 WeakPolarHBondContact O-CB 3.28Å; P171-A175 PolarHBondContact O-N 2.94Å; Y172-A175 PolarHBondContact O-N 3Å; Y173-A175 PolarHBondContact O-N 2.86Å; A175-K178 PolarHBondContact O-N 3.32Å; A175-L179 WeakPolarHBondContact O-CB 3.47Å; A175-L179 PolarHBondContact O-N 2.89Å
176	G	91.1	Very high	90.9	Very high	37 Å²	37	67.5 Å²	67.5	38%	0.381	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-44.3	177.8	0	0	0	0	0	113.3	Y172 Y173 L179 Y180	Y172-G176 PolarHBondContact O-N 3.02Å; Y172-G176 VanDerWaalsContact O-N 3.12Å; Y173-G176 PolarHBondContact O-N 3.11Å; G176-L179 WeakPolarHBondContact O-CB 3.44Å; G176-L179 PolarHBondContact O-N 2.8Å; G176-Y180 PolarHBondContact O-N 2.77Å
177	I	91.9	Very high	90.5	Very high	10 Å²	10	64 Å²	64	5%	0.051	33%	0.326	C	S	.	.	H	α-helix	trans	-69.9	-35.9	177.6	-65.4	-62.8	0	0	0	111.4	V119 Y173 W174 Y180 D181 S192 I216 Y218	V119-I177 HydrophobicContact CG1-CD1 3.7Å; Y173-I177 WeakPolarHBondContact O-CB 3.46Å; Y173-I177 VanDerWaalsContact O-CG1 3.31Å; Y173-I177 WeakPolarHBondContact O-CG1 3.23Å; Y173-I177 PolarHBondContact O-N 3.31Å; W174-I177 PolarHBondContact O-N 3.29Å; I177-Y180 WeakPolarHBondContact O-CA 3.4Å; I177-Y180 VanDerWaalsContact O-CB 3.3Å; I177-Y180 WeakPolarHBondContact O-CB 3.37Å; I177-Y180 PolarHBondContact O-N 2.77Å; I177-Y180 VanDerWaalsContact O-N 3.16Å; I177-D181 PolarHBondContact O-N 2.68Å; I177-S192 WeakPolarHBondContact CG2-OG 3.42Å; I177-I216 HydrophobicContact CB-CG2 4.29Å; I177-I216 HydrophobicContact CG1-CG2 4.1Å; I177-I216 HydrophobicContact CG2-CG2 4.19Å; I177-Y218 HydrophobicContact CD1-CD1 4.12Å; I177-Y218 HydrophobicContact CD1-CG 4.12Å
178	K	93.3	Very high	90	Very high	60 Å²	60	56 Å²	56	26%	0.261	30%	0.3	S	S	.	.	H	α-helix	trans	-68.4	-35.2	173.7	-78.2	-71.2	162.6	-152.1	0	113.1	W174 A175 Y180 D181 L182 S191 S192	W174-K178 HydrophobicContact CD2-CG 4.02Å; W174-K178 HydrophobicContact CE3-CG 4.27Å; W174-K178 HydrophobicContact CH2-CD 4.17Å; W174-K178 HydrophobicContact CH2-CG 4.22Å; W174-K178 HydrophobicContact CZ2-CD 4.06Å; W174-K178 HydrophobicContact CZ2-CG 3.9Å; W174-K178 HydrophobicContact CZ3-CG 4.36Å; W174-K178 WeakPolarHBondContact O-CB 3.44Å; W174-K178 WeakPolarHBondContact O-CG 3.4Å; W174-K178 PolarHBondContact O-N 2.78Å; A175-K178 PolarHBondContact O-N 3.32Å; K178-Y180 VanDerWaalsContact C-N 3.27Å; K178-Y180 PolarHBondContact O-N 3.4Å; K178-D181 IonicContact NZ-OD2 2.83Å; K178-D181 PolarHBondContact NZ-OD2 2.83Å; K178-D181 PolarHBondContact O-N 2.72Å; K178-L182 WeakPolarHBondContact O-CB 3.39Å; K178-L182 PolarHBondContact O-N 2.96Å; K178-S191 PolarHBondContact NZ-OG 3.24Å; K178-S192 WeakPolarHBondContact CE-OG 3.39Å; K178-S192 PolarHBondContact NZ-O 2.97Å; K178-S192 PolarHBondContact NZ-OG 3.15Å
179	L	91.3	Very high	89.7	Confident	63 Å²	63	51.8 Å²	51.8	33%	0.33	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-39.2	169.6	-178.7	60.6	0	0	0	110.9	L122 V126 A175 G176 L182 V183	L122-L179 HydrophobicContact CD2-CG 4.3Å; V126-L179 HydrophobicContact CG1-CD2 4.47Å; V126-L179 HydrophobicContact CG2-CD2 3.69Å; A175-L179 WeakPolarHBondContact O-CB 3.47Å; A175-L179 PolarHBondContact O-N 2.89Å; G176-L179 WeakPolarHBondContact O-CB 3.44Å; G176-L179 PolarHBondContact O-N 2.8Å; L179-L182 HydrophobicContact CD1-CD2 4.31Å; L179-L182 WeakPolarHBondContact O-CB 3.16Å; L179-L182 PolarHBondContact O-N 2.81Å; L179-V183 HydrophobicContact CD1-CG2 4.31Å; L179-V183 HydrophobicContact CG-CG2 4.47Å; L179-V183 WeakPolarHBondContact O-CB 3.48Å; L179-V183 VanDerWaalsContact O-CG2 3.27Å; L179-V183 WeakPolarHBondContact O-CG2 3.37Å; L179-V183 PolarHBondContact O-N 2.79Å
180	Y	89.9	Confident	89.5	Confident	3 Å²	3	55.7 Å²	55.7	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-61.7	-46.7	173.8	-178.2	-100.8	0	0	0	112.7	G117 V119 L122 V137 L141 R144 G176 I177 K178 L182 V183 A184	G117-Y180 WeakPolarHBondContact CA-OH 3.35Å; V119-Y180 HydrophobicContact CB-CD2 4.3Å; V119-Y180 HydrophobicContact CB-CE2 4.38Å; V119-Y180 HydrophobicContact CG2-CD1 3.95Å; V119-Y180 HydrophobicContact CG2-CD2 3.78Å; V119-Y180 HydrophobicContact CG2-CE1 3.79Å; V119-Y180 HydrophobicContact CG2-CE2 3.64Å; V119-Y180 HydrophobicContact CG2-CG 3.92Å; L122-Y180 VanDerWaalsContact CD2-CA 3.48Å; L122-Y180 HydrophobicContact CD2-CD2 3.85Å; L122-Y180 HydrophobicContact CD2-CG 4.34Å; V137-Y180 HydrophobicContact CG1-CE2 4.48Å; L141-Y180 HydrophobicContact CD1-CE2 4.4Å; L141-Y180 HydrophobicContact CD2-CE1 4.39Å; L141-Y180 HydrophobicContact CD2-CE2 4.05Å; L141-Y180 VanDerWaalsContact CD2-OH 3.23Å; L141-Y180 WeakPolarHBondContact CD2-OH 3.45Å; R144-Y180 PolarHBondContact NH1-OH 2.9Å; G176-Y180 PolarHBondContact O-N 2.77Å; I177-Y180 WeakPolarHBondContact O-CA 3.4Å; I177-Y180 VanDerWaalsContact O-CB 3.3Å; I177-Y180 WeakPolarHBondContact O-CB 3.37Å; I177-Y180 PolarHBondContact O-N 2.77Å; I177-Y180 VanDerWaalsContact O-N 3.16Å; K178-Y180 VanDerWaalsContact C-N 3.27Å; K178-Y180 PolarHBondContact O-N 3.4Å; Y180-L182 VanDerWaalsContact C-N 3.27Å; Y180-L182 PolarHBondContact O-N 3.25Å; Y180-V183 PolarHBondContact O-N 2.88Å; Y180-A184 WeakPolarHBondContact O-CB 3.34Å; Y180-A184 PolarHBondContact O-N 3.4Å
181	D	90.9	Very high	89.4	Confident	18 Å²	18	57.5 Å²	57.5	10%	0.096	32%	0.319	C	S	.	.	H	α-helix	trans	-56	-43	172.9	-72.7	-2.8	0	0	0	111.5	I177 K178 A184 G185 S191 S192	I177-D181 PolarHBondContact O-N 2.68Å; K178-D181 IonicContact NZ-OD2 2.83Å; K178-D181 PolarHBondContact NZ-OD2 2.83Å; K178-D181 PolarHBondContact O-N 2.72Å; D181-A184 PolarHBondContact O-N 3.38Å; D181-G185 PolarHBondContact O-N 2.86Å; D181-S191 PolarHBondContact OD2-OG 3.21Å; D181-S192 WeakPolarHBondContact OD2-CB 3.27Å; D181-S192 PolarHBondContact OD2-N 2.96Å; D181-S192 PolarHBondContact OD2-OG 2.83Å
182	L	90.3	Very high	89.4	Confident	133 Å²	133	54 Å²	54	70%	0.696	30%	0.296	S	S	*	.	H	α-helix	trans	-65.1	-44.1	179.4	-178.2	69.2	0	0	0	112.1	K178 L179 Y180 A184 G185	K178-L182 WeakPolarHBondContact O-CB 3.39Å; K178-L182 PolarHBondContact O-N 2.96Å; L179-L182 HydrophobicContact CD1-CD2 4.31Å; L179-L182 WeakPolarHBondContact O-CB 3.16Å; L179-L182 PolarHBondContact O-N 2.81Å; Y180-L182 VanDerWaalsContact C-N 3.27Å; Y180-L182 PolarHBondContact O-N 3.25Å; L182-A184 VanDerWaalsContact C-N 3.31Å; L182-G185 PolarHBondContact O-N 3.5Å
183	V	88.3	Confident	89.6	Confident	15 Å²	15	52.4 Å²	52.4	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-65.6	-37.1	178.2	169.1	0	0	0	0	111.3	L122 Y134 V137 K138 L141 L179 Y180 G185	L122-V183 HydrophobicContact CD1-CG1 4.49Å; L122-V183 HydrophobicContact CD1-CG2 4.06Å; L122-V183 HydrophobicContact CD2-CB 4.34Å; L122-V183 HydrophobicContact CD2-CG2 4.13Å; Y134-V183 HydrophobicContact CE2-CG1 3.69Å; Y134-V183 HydrophobicContact CE2-CG2 3.97Å; V137-V183 HydrophobicContact CG1-CG1 4.16Å; K138-V183 HydrophobicContact CD-CG1 3.74Å; K138-V183 HydrophobicContact CG-CG1 4.49Å; K138-V183 PolarHBondContact NZ-O 2.92Å; L141-V183 HydrophobicContact CD1-CG1 4.07Å; L179-V183 HydrophobicContact CD1-CG2 4.31Å; L179-V183 HydrophobicContact CG-CG2 4.47Å; L179-V183 WeakPolarHBondContact O-CB 3.48Å; L179-V183 VanDerWaalsContact O-CG2 3.27Å; L179-V183 WeakPolarHBondContact O-CG2 3.37Å; L179-V183 PolarHBondContact O-N 2.79Å; Y180-V183 PolarHBondContact O-N 2.88Å; V183-G185 VanDerWaalsContact C-N 3.34Å
184	A	86	Confident	89.9	Confident	2 Å²	2	53 Å²	53	2%	0.017	30%	0.299	C	S	.	.	H	α-helix	trans	-64.1	-37.9	172.4	0	0	0	0	0	112	L141 Y180 D181 L182 N186 Q187 C188	L141-A184 HydrophobicContact CD1-CB 4.09Å; L141-A184 HydrophobicContact CD2-CB 3.9Å; Y180-A184 WeakPolarHBondContact O-CB 3.34Å; Y180-A184 PolarHBondContact O-N 3.4Å; D181-A184 PolarHBondContact O-N 3.38Å; L182-A184 VanDerWaalsContact C-N 3.31Å; A184-N186 PolarHBondContact O-N 3.37Å; A184-Q187 WeakPolarHBondContact O-CB 3.2Å; A184-Q187 PolarHBondContact O-N 3.35Å; A184-C188 HydrophobicContact CB-CB 3.97Å
185	G	88.6	Confident	90	Very high	39 Å²	39	49.6 Å²	49.6	40%	0.402	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	54.3	-122	177.4	0	0	0	0	0	110.9	D181 L182 V183 Q187 C188	D181-G185 PolarHBondContact O-N 2.86Å; L182-G185 PolarHBondContact O-N 3.5Å; V183-G185 VanDerWaalsContact C-N 3.34Å; G185-Q187 PolarHBondContact O-N 3.23Å; G185-C188 WeakPolarHBondContact O-CB 3.46Å; G185-C188 PolarHBondContact O-N 3.07Å; G185-C188 VanDerWaalsContact O-N 3.13Å
186	N	83.3	Confident	90.1	Very high	154 Å²	154	49.5 Å²	49.5	82%	0.824	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-67.4	-15.4	178.6	-63.8	-4.9	0	0	0	113.8	V38 A184 C188	V38-N186 WeakPolarHBondContact CG1-O 3.22Å; A184-N186 PolarHBondContact O-N 3.37Å; N186-C188 VanDerWaalsContact C-N 3.3Å
187	Q	84.4	Confident	90.3	Very high	40 Å²	40	51.7 Å²	51.7	19%	0.187	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-92.1	8.3	176.8	-59	166.5	-5.4	0	0	112.2	L141 H142 R144 A145 A184 G185 L189	L141-Q187 VanDerWaalsContact C-OE1 3.3Å; H142-Q187 VanDerWaalsContact N-OE1 3.09Å; H142-Q187 PolarHBondContact ND1-NE2 3.43Å; R144-Q187 PolarHBondContact NH2-O 3.45Å; A145-Q187 HydrophobicContact CB-CB 4.31Å; A145-Q187 HydrophobicContact CB-CG 4.36Å; A184-Q187 WeakPolarHBondContact O-CB 3.2Å; A184-Q187 PolarHBondContact O-N 3.35Å; G185-Q187 PolarHBondContact O-N 3.23Å; Q187-L189 PolarHBondContact O-N 3.16Å
188	C	82.3	Confident	90.5	Very high	28 Å²	28	55.2 Å²	55.2	19%	0.189	31%	0.307	C	S	.	.			trans	-71.4	120.3	172.9	-172.9	0	0	0	0	109.2	A184 G185 N186 K190	A184-C188 HydrophobicContact CB-CB 3.97Å; G185-C188 WeakPolarHBondContact O-CB 3.46Å; G185-C188 PolarHBondContact O-N 3.07Å; G185-C188 VanDerWaalsContact O-N 3.13Å; N186-C188 VanDerWaalsContact C-N 3.3Å; C188-K190 PolarHBondContact SG-O 3.25Å
189	L	84.3	Confident	90.6	Very high	36 Å²	36	58.5 Å²	58.5	19%	0.188	32%	0.318	C	S	.	.	S	Bend	trans	-64.6	-55.8	-179.3	-61	177.5	0	0	0	111	L148 P157 Q187	L148-L189 HydrophobicContact CD2-CD1 4.18Å; L148-L189 HydrophobicContact CD2-CD2 3.73Å; P157-L189 HydrophobicContact CB-CB 4.36Å; P157-L189 HydrophobicContact CB-CD1 4.02Å; Q187-L189 PolarHBondContact O-N 3.16Å
190	K	88.3	Confident	90.7	Very high	116 Å²	116	55.5 Å²	55.5	50%	0.504	30%	0.302	S	S	.	.	S	Bend	trans	-150	148.3	174.4	-67.5	-177.5	-177.1	173.2	0	108.1	C188 Y219	C188-K190 PolarHBondContact SG-O 3.25Å; K190-Y219 HydrophobicContact CB-CD1 4.11Å; K190-Y219 HydrophobicContact CB-CD2 3.57Å; K190-Y219 HydrophobicContact CB-CE1 4.08Å; K190-Y219 HydrophobicContact CB-CE2 3.53Å; K190-Y219 HydrophobicContact CB-CG 3.85Å; K190-Y219 HydrophobicContact CD-CD1 4.18Å; K190-Y219 HydrophobicContact CD-CE1 3.61Å; K190-Y219 HydrophobicContact CD-CE2 4.36Å; K190-Y219 HydrophobicContact CG-CD1 4.47Å; K190-Y219 HydrophobicContact CG-CE1 4.31Å; K190-Y219 WeakPolarHBondContact O-CD2 3.45Å
191	S	89.9	Confident	90.8	Very high	76 Å²	76	57 Å²	57	53%	0.531	31%	0.31	S	S	.	.			trans	-68	138.2	-179.3	-163.6	0	0	0	0	111.6	K178 D181	K178-S191 PolarHBondContact NZ-OG 3.24Å; D181-S191 PolarHBondContact OD2-OG 3.21Å
192	S	94.3	Very high	90.9	Very high	5 Å²	5	61.9 Å²	61.9	4%	0.035	33%	0.332	C	S	.	.			trans	-65.1	152.3	174.3	60.7	0	0	0	0	112.6	W174 I177 K178 D181 V217	W174-S192 WeakPolarHBondContact CH2-O 3.39Å; I177-S192 WeakPolarHBondContact CG2-OG 3.42Å; K178-S192 WeakPolarHBondContact CE-OG 3.39Å; K178-S192 PolarHBondContact NZ-O 2.97Å; K178-S192 PolarHBondContact NZ-OG 3.15Å; D181-S192 WeakPolarHBondContact OD2-CB 3.27Å; D181-S192 PolarHBondContact OD2-N 2.96Å; D181-S192 PolarHBondContact OD2-OG 2.83Å; S192-V217 CarbonylContact C-O 3.52Å; S192-V217 WeakPolarHBondContact CA-O 3.36Å; S192-V217 WeakPolarHBondContact CB-O 3.26Å
193	Y	95.9	Very high	90.9	Very high	67 Å²	67	61 Å²	61	26%	0.263	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	160.8	179.6	60.3	-88	0	0	0	112.2	L195 V217 Y219	Y193-L195 HydrophobicContact CD2-CD2 3.94Å; Y193-L195 HydrophobicContact CD2-CG 4.1Å; Y193-L195 HydrophobicContact CE2-CD1 4.2Å; Y193-L195 HydrophobicContact CE2-CD2 3.59Å; Y193-L195 HydrophobicContact CE2-CG 3.75Å; Y193-V217 HydrophobicContact CD1-CB 4.26Å; Y193-V217 HydrophobicContact CD2-CB 4.22Å; Y193-V217 HydrophobicContact CD2-CG2 4.38Å; Y193-V217 HydrophobicContact CE1-CB 3.79Å; Y193-V217 HydrophobicContact CE1-CG1 3.78Å; Y193-V217 HydrophobicContact CE2-CB 3.76Å; Y193-V217 HydrophobicContact CE2-CG1 4.38Å; Y193-V217 HydrophobicContact CE2-CG2 3.69Å; Y193-V217 HydrophobicContact CG-CB 4.46Å; Y193-V217 PolarHBondContact N-O 3.26Å; Y193-V217 PolarHBondContact O-N 2.84Å; Y193-Y219 HydrophobicContact CD1-CE2 4.4Å; Y193-Y219 AromaticContact CE1-CE2 3.94Å; Y193-Y219 HydrophobicContact CE1-CE2 3.94Å
194	V	96.7	Very high	91	Very high	64 Å²	64	60.4 Å²	60.4	39%	0.388	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137.3	176.1	-178.3	0	0	0	0	109.3	L170 W174 A215 I216	L170-V194 HydrophobicContact CD1-CG1 4.21Å; L170-V194 HydrophobicContact CD2-CG1 4.49Å; W174-V194 HydrophobicContact CD2-CG2 3.7Å; W174-V194 HydrophobicContact CE3-CG2 3.42Å; W174-V194 VanDerWaalsContact CE3-CG2 3.42Å; W174-V194 HydrophobicContact CG-CG2 4.34Å; W174-V194 HydrophobicContact CH2-CG2 4.01Å; W174-V194 HydrophobicContact CZ2-CG2 4.3Å; W174-V194 HydrophobicContact CZ3-CG2 3.6Å; V194-A215 WeakPolarHBondContact CA-O 3.36Å; V194-I216 HydrophobicContact CG2-CG1 4.39Å
195	L	96.1	Very high	91.1	Very high	15 Å²	15	64 Å²	64	8%	0.079	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	135.8	169.4	-68.6	179.2	0	0	0	110	M161 Y193 R199 A200 Y203 G214 A215 V217	M161-L195 HydrophobicContact CE-CD1 3.86Å; Y193-L195 HydrophobicContact CD2-CD2 3.94Å; Y193-L195 HydrophobicContact CD2-CG 4.1Å; Y193-L195 HydrophobicContact CE2-CD1 4.2Å; Y193-L195 HydrophobicContact CE2-CD2 3.59Å; Y193-L195 HydrophobicContact CE2-CG 3.75Å; L195-R199 HydrophobicContact CB-CB 4.35Å; L195-R199 HydrophobicContact CD2-CB 3.96Å; L195-A200 HydrophobicContact CB-CB 4.44Å; L195-Y203 HydrophobicContact CD1-CD2 3.94Å; L195-Y203 HydrophobicContact CD1-CE2 4.34Å; L195-Y203 HydrophobicContact CD2-CE2 4.25Å; L195-G214 WeakPolarHBondContact O-CA 3.45Å; L195-A215 HydrophobicContact CB-CB 4.31Å; L195-A215 PolarHBondContact N-O 2.82Å; L195-A215 PolarHBondContact O-N 3.26Å; L195-V217 HydrophobicContact CD1-CG2 3.66Å; L195-V217 HydrophobicContact CG-CG2 4.07Å
196	S	96.3	Very high	91.1	Very high	58 Å²	58	64 Å²	64	41%	0.406	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	160.4	166.2	66	0	0	0	0	110.3	S198 R199 A200	S196-S198 PolarHBondContact O-N 3.38Å; S196-S198 PolarHBondContact OG-OG 3.32Å; S196-R199 PolarHBondContact O-N 3.19Å; S196-R199 VanDerWaalsContact O-N 3.17Å; S196-R199 WeakPolarHBondContact OG-CG 3.29Å; S196-R199 PolarHBondContact OG-N 2.97Å; S196-A200 WeakPolarHBondContact O-CB 3.49Å; S196-A200 PolarHBondContact O-N 2.99Å
197	K	95.1	Very high	91.4	Very high	83 Å²	83	56.7 Å²	56.7	36%	0.361	29%	0.291	S	S	.	.	H	α-helix	trans	-47.6	-47.5	171.4	-177.4	-176.3	-173	151.9	0	112.6	A200 L201 K209 L212	K197-A200 PolarHBondContact O-N 2.82Å; K197-L201 HydrophobicContact CG-CD1 4.06Å; K197-L201 WeakPolarHBondContact O-CG 3.5Å; K197-L201 PolarHBondContact O-N 3.18Å; K197-L201 VanDerWaalsContact O-N 3.07Å; K197-K209 WeakPolarHBondContact CE-O 3.44Å; K197-K209 PolarHBondContact NZ-O 3.47Å; K197-L212 VanDerWaalsContact CD-O 3.28Å; K197-L212 WeakPolarHBondContact CD-O 3.36Å; K197-L212 HydrophobicContact CG-CB 4.43Å; K197-L212 HydrophobicContact CG-CD2 4.06Å; K197-L212 HydrophobicContact CG-CG 4.21Å; K197-L212 PolarHBondContact NZ-O 3.03Å
198	S	95.8	Very high	91.6	Very high	85 Å²	85	59 Å²	59	59%	0.594	30%	0.298	S	S	*	.	H	α-helix	trans	-62.6	-44.4	-178.6	51.5	0	0	0	0	112.4	S196 L201 E202	S196-S198 PolarHBondContact O-N 3.38Å; S196-S198 PolarHBondContact OG-OG 3.32Å; S198-L201 PolarHBondContact O-N 3.39Å; S198-E202 PolarHBondContact O-N 3.39Å
199	R	95	Very high	92	Very high	129 Å²	129	62.5 Å²	62.5	49%	0.487	31%	0.31	S	S	.	.	H	α-helix	trans	-68.8	-39.1	177.5	-69.6	-61.7	-165.6	171.6	1.7	112.2	L195 S196 L201 E202 Y203	L195-R199 HydrophobicContact CB-CB 4.35Å; L195-R199 HydrophobicContact CD2-CB 3.96Å; S196-R199 PolarHBondContact O-N 3.19Å; S196-R199 VanDerWaalsContact O-N 3.17Å; S196-R199 WeakPolarHBondContact OG-CG 3.29Å; S196-R199 PolarHBondContact OG-N 2.97Å; R199-L201 VanDerWaalsContact C-N 3.29Å; R199-L201 PolarHBondContact O-N 2.92Å; R199-E202 WeakPolarHBondContact CD-OE2 3.36Å; R199-E202 IonicContact CZ-OE2 3.33Å; R199-E202 IonicContact NE-OE2 3.75Å; R199-E202 IonicContact NH1-OE1 3.33Å; R199-E202 PolarHBondContact NH1-OE1 3.01Å; R199-E202 IonicContact NH1-OE2 2.74Å; R199-E202 PolarHBondContact NH1-OE2 3.5Å; R199-E202 WeakPolarHBondContact O-CB 3.45Å; R199-E202 PolarHBondContact O-N 2.93Å; R199-E202 VanDerWaalsContact O-N 3.16Å; R199-Y203 VanDerWaalsContact O-CD2 3.26Å; R199-Y203 WeakPolarHBondContact O-CD2 3.44Å; R199-Y203 PolarHBondContact O-N 3.31Å
200	A	93.3	Very high	92.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59.2	-42.6	175.8	0	0	0	0	0	111.3	M161 L195 S196 K197 Y203 F204 A215	M161-A200 HydrophobicContact SD-CB 4.28Å; L195-A200 HydrophobicContact CB-CB 4.44Å; S196-A200 WeakPolarHBondContact O-CB 3.49Å; S196-A200 PolarHBondContact O-N 2.99Å; K197-A200 PolarHBondContact O-N 2.82Å; A200-Y203 PolarHBondContact O-N 2.91Å; A200-F204 PolarHBondContact O-N 2.63Å; A200-A215 HydrophobicContact CB-CB 3.99Å
201	L	92.6	Very high	92.4	Very high	33 Å²	33	67.1 Å²	67.1	17%	0.173	33%	0.333	C	S	.	.	H	α-helix	trans	-73.6	-22.3	176.3	-66.4	172	0	0	0	113.9	K197 S198 R199 F204 P205 L207 K209 L212	K197-L201 HydrophobicContact CG-CD1 4.06Å; K197-L201 WeakPolarHBondContact O-CG 3.5Å; K197-L201 PolarHBondContact O-N 3.18Å; K197-L201 VanDerWaalsContact O-N 3.07Å; S198-L201 PolarHBondContact O-N 3.39Å; R199-L201 VanDerWaalsContact C-N 3.29Å; R199-L201 PolarHBondContact O-N 2.92Å; L201-F204 CarbonylContact O-C 3.58Å; L201-P205 WeakPolarHBondContact O-CA 3.33Å; L201-L207 HydrophobicContact CD2-CB 4.15Å; L201-K209 HydrophobicContact CD1-CG 3.96Å; L201-K209 HydrophobicContact CD2-CG 3.7Å; L201-L212 HydrophobicContact CD1-CD2 4.48Å; L201-L212 HydrophobicContact CD2-CD2 3.96Å; L201-L212 HydrophobicContact CG-CD2 4Å
202	E	92.3	Very high	92.6	Very high	121 Å²	121	63.8 Å²	63.8	57%	0.565	31%	0.309	S	S	*	.	H	α-helix	trans	-71.1	-44.3	171.8	-174.6	-176.2	175.8	0	0	110.9	S198 R199	S198-E202 PolarHBondContact O-N 3.39Å; R199-E202 WeakPolarHBondContact CD-OE2 3.36Å; R199-E202 IonicContact CZ-OE2 3.33Å; R199-E202 IonicContact NE-OE2 3.75Å; R199-E202 IonicContact NH1-OE1 3.33Å; R199-E202 PolarHBondContact NH1-OE1 3.01Å; R199-E202 IonicContact NH1-OE2 2.74Å; R199-E202 PolarHBondContact NH1-OE2 3.5Å; R199-E202 WeakPolarHBondContact O-CB 3.45Å; R199-E202 PolarHBondContact O-N 2.93Å; R199-E202 VanDerWaalsContact O-N 3.16Å
203	Y	89.8	Confident	92.6	Very high	116 Å²	116	66.3 Å²	66.3	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-71.5	-36.9	175.1	-77.9	-70.6	0	0	0	112.7	L195 R199 A200 P325 M328	L195-Y203 HydrophobicContact CD1-CD2 3.94Å; L195-Y203 HydrophobicContact CD1-CE2 4.34Å; L195-Y203 HydrophobicContact CD2-CE2 4.25Å; R199-Y203 VanDerWaalsContact O-CD2 3.26Å; R199-Y203 WeakPolarHBondContact O-CD2 3.44Å; R199-Y203 PolarHBondContact O-N 3.31Å; A200-Y203 PolarHBondContact O-N 2.91Å; Y203-P325 WeakPolarHBondContact O-CG 3.21Å; Y203-M328 HydrophobicContact CD1-CE 4.31Å; Y203-M328 HydrophobicContact CG-CE 4.49Å
204	F	90.4	Very high	92.6	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.009	31%	0.313	C	S	.	.			trans	-134.9	83.5	-178.3	-161	173.9	0	0	0	111.4	A200 L201 M206 L207 Y323 P325 L330 L383	A200-F204 PolarHBondContact O-N 2.63Å; L201-F204 CarbonylContact O-C 3.58Å; F204-M206 HydrophobicContact CD2-CB 4.03Å; F204-M206 HydrophobicContact CD2-CE 3.79Å; F204-M206 HydrophobicContact CE2-CB 3.75Å; F204-M206 HydrophobicContact CE2-CE 3.45Å; F204-M206 VanDerWaalsContact CE2-CE 3.45Å; F204-M206 HydrophobicContact CE2-SD 4.42Å; F204-M206 PolarHBondContact O-N 3.34Å; F204-L207 HydrophobicContact CB-CB 4.33Å; F204-L207 HydrophobicContact CD1-CB 4.39Å; F204-L207 HydrophobicContact CG-CB 4.23Å; F204-L207 VanDerWaalsContact O-CB 3.29Å; F204-L207 WeakPolarHBondContact O-CB 3.39Å; F204-L207 PolarHBondContact O-N 3.01Å; F204-L207 VanDerWaalsContact O-N 3.11Å; F204-Y323 WeakPolarHBondContact CZ-O 3.23Å; F204-P325 HydrophobicContact CB-CG 3.99Å; F204-P325 HydrophobicContact CD1-CG 4.2Å; F204-P325 HydrophobicContact CD2-CG 4.39Å; F204-P325 HydrophobicContact CG-CG 3.98Å; F204-L330 HydrophobicContact CD1-CD1 3.9Å; F204-L330 HydrophobicContact CE1-CB 4.14Å; F204-L330 HydrophobicContact CE1-CD1 3.88Å; F204-L330 HydrophobicContact CE1-CD2 3.98Å; F204-L330 HydrophobicContact CE1-CG 4.21Å; F204-L383 HydrophobicContact CE2-CD2 4.04Å; F204-L383 HydrophobicContact CZ-CD2 3.78Å
205	P	88.6	Confident	92.5	Very high	76 Å²	76	60.2 Å²	60.2	49%	0.494	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.7	-175.5	-26.3	35.7	0	0	0	115	L201 L207	L201-P205 WeakPolarHBondContact O-CA 3.33Å; P205-L207 VanDerWaalsContact C-N 3.29Å
206	M	88	Confident	92.5	Very high	41 Å²	41	59.5 Å²	59.5	20%	0.202	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-3.5	-179.2	-61.4	168	-80	0	0	113.3	F204 Y322 L383 S384 V387	F204-M206 HydrophobicContact CD2-CB 4.03Å; F204-M206 HydrophobicContact CD2-CE 3.79Å; F204-M206 HydrophobicContact CE2-CB 3.75Å; F204-M206 HydrophobicContact CE2-CE 3.45Å; F204-M206 VanDerWaalsContact CE2-CE 3.45Å; F204-M206 HydrophobicContact CE2-SD 4.42Å; F204-M206 PolarHBondContact O-N 3.34Å; M206-Y322 WeakPolarHBondContact CE-O 3.28Å; M206-L383 HydrophobicContact CB-CD2 4.04Å; M206-L383 CarbonylContact O-C 3.23Å; M206-L383 VanDerWaalsContact O-CA 3.25Å; M206-L383 WeakPolarHBondContact O-CA 3.33Å; M206-S384 PolarHBondContact O-N 3.19Å; M206-S384 PolarHBondContact O-OG 2.89Å; M206-V387 HydrophobicContact CB-CG2 3.85Å; M206-V387 HydrophobicContact CG-CG2 3.64Å; M206-V387 HydrophobicContact SD-CG2 4.34Å
207	L	89.6	Confident	92.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-65.3	139.2	176.8	-175	68.7	0	0	0	110.1	P163 Y165 L201 F204 P205 K209 L212 L330	P163-L207 HydrophobicContact CB-CD1 3.96Å; P163-L207 HydrophobicContact CB-CD2 3.92Å; P163-L207 HydrophobicContact CG-CD1 4.15Å; Y165-L207 WeakPolarHBondContact OH-CD1 3.46Å; L201-L207 HydrophobicContact CD2-CB 4.15Å; F204-L207 HydrophobicContact CB-CB 4.33Å; F204-L207 HydrophobicContact CD1-CB 4.39Å; F204-L207 HydrophobicContact CG-CB 4.23Å; F204-L207 VanDerWaalsContact O-CB 3.29Å; F204-L207 WeakPolarHBondContact O-CB 3.39Å; F204-L207 PolarHBondContact O-N 3.01Å; F204-L207 VanDerWaalsContact O-N 3.11Å; P205-L207 VanDerWaalsContact C-N 3.29Å; L207-K209 PolarHBondContact O-N 3.4Å; L207-K209 VanDerWaalsContact O-N 3.08Å; L207-L212 HydrophobicContact CD2-CD1 3.96Å; L207-L212 HydrophobicContact CD2-CD2 3.62Å; L207-L212 HydrophobicContact CD2-CG 4.47Å; L207-L212 HydrophobicContact CG-CD2 4.32Å; L207-L330 HydrophobicContact CD1-CD1 4.23Å
208	R	89.6	Confident	92.4	Very high	87 Å²	87	53 Å²	53	33%	0.328	26%	0.255	S	S	.	.			trans	-55.3	118.1	177.5	-172.6	-179.1	70.7	-157.5	-0.7	111.4	Y165 N381 Y382	Y165-R208 HydrophobicContact CE1-CB 4.22Å; Y165-R208 WeakPolarHBondContact CE1-O 3.35Å; Y165-R208 PolarHBondContact OH-O 3.35Å; R208-N381 PolarHBondContact NH1-O 2.56Å; R208-Y382 WeakPolarHBondContact CB-O 3.33Å; R208-Y382 PolarHBondContact N-O 2.89Å
209	K	91.2	Very high	92.3	Very high	103 Å²	103	50.5 Å²	50.5	45%	0.448	23%	0.233	S	C	.	.			trans	-78.7	-28.4	-174.9	-64.4	171.8	-175.7	162	0	113.5	K197 L201 L207	K197-K209 WeakPolarHBondContact CE-O 3.44Å; K197-K209 PolarHBondContact NZ-O 3.47Å; L201-K209 HydrophobicContact CD1-CG 3.96Å; L201-K209 HydrophobicContact CD2-CG 3.7Å; L207-K209 PolarHBondContact O-N 3.4Å; L207-K209 VanDerWaalsContact O-N 3.08Å
210	D	89.7	Confident	92.2	Very high	100 Å²	100	44.3 Å²	44.3	54%	0.535	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	133	-178.7	-175.8	41.1	0	0	0	110.7	Y165 L212	Y165-D210 WeakPolarHBondContact CD1-O 3.45Å; Y165-D210 WeakPolarHBondContact CE1-O 3.48Å; D210-L212 PolarHBondContact O-N 3.07Å
211	K	91	Very high	92.2	Very high	149 Å²	149	44.3 Å²	44.3	65%	0.648	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	1.9	-178.4	-61.9	166.5	-170.3	169.9	0	116.5	Y165 V213	Y165-K211 CarbonylContact C-O 3.57Å; Y165-K211 WeakPolarHBondContact CA-O 3.44Å; Y165-K211 HydrophobicContact CD1-CB 4.42Å; Y165-K211 VanDerWaalsContact O-O 3.06Å; K211-V213 PolarHBondContact O-N 3.15Å
212	L	93.8	Very high	92.3	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.031	21%	0.208	C	C	.	.			trans	-62	123.2	175.9	-176	67.6	0	0	0	110	P163 Y165 K197 L201 L207 D210 G214	P163-L212 HydrophobicContact CB-CD1 4.1Å; Y165-L212 HydrophobicContact CD1-CB 4.26Å; Y165-L212 HydrophobicContact CD1-CD1 4.45Å; Y165-L212 HydrophobicContact CE1-CB 4.04Å; Y165-L212 HydrophobicContact CE1-CD1 4.09Å; K197-L212 VanDerWaalsContact CD-O 3.28Å; K197-L212 WeakPolarHBondContact CD-O 3.36Å; K197-L212 HydrophobicContact CG-CB 4.43Å; K197-L212 HydrophobicContact CG-CD2 4.06Å; K197-L212 HydrophobicContact CG-CG 4.21Å; K197-L212 PolarHBondContact NZ-O 3.03Å; L201-L212 HydrophobicContact CD1-CD2 4.48Å; L201-L212 HydrophobicContact CD2-CD2 3.96Å; L201-L212 HydrophobicContact CG-CD2 4Å; L207-L212 HydrophobicContact CD2-CD1 3.96Å; L207-L212 HydrophobicContact CD2-CD2 3.62Å; L207-L212 HydrophobicContact CD2-CG 4.47Å; L207-L212 HydrophobicContact CG-CD2 4.32Å; D210-L212 PolarHBondContact O-N 3.07Å; L212-G214 WeakPolarHBondContact CD1-O 3.27Å
213	V	94.9	Very high	92.5	Very high	58 Å²	58	38.7 Å²	38.7	35%	0.352	18%	0.183	S	C	.	.			trans	-94.5	-41.3	178.9	179.9	0	0	0	0	110.6	V164 W167 L170 K211	V164-V213 WeakPolarHBondContact O-CB 3.37Å; V164-V213 PolarHBondContact O-N 2.98Å; W167-V213 HydrophobicContact CB-CG2 4.5Å; L170-V213 HydrophobicContact CD2-CG1 4.35Å; K211-V213 PolarHBondContact O-N 3.15Å
214	G	95.3	Very high	92.9	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.5	-164.9	-177.5	0	0	0	0	0	110.1	V164 L195 L212	V164-G214 PolarHBondContact N-O 3.17Å; L195-G214 WeakPolarHBondContact O-CA 3.45Å; L212-G214 WeakPolarHBondContact CD1-O 3.27Å
215	A	95.2	Very high	93.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.6	174.9	0	0	0	0	0	111.4	M161 L162 V194 L195 A200	M161-A215 HydrophobicContact CG-CB 3.55Å; M161-A215 HydrophobicContact SD-CB 3.75Å; L162-A215 CarbonylContact O-C 3.48Å; L162-A215 VanDerWaalsContact O-CA 3.27Å; L162-A215 WeakPolarHBondContact O-CA 3.26Å; V194-A215 WeakPolarHBondContact CA-O 3.36Å; L195-A215 HydrophobicContact CB-CB 4.31Å; L195-A215 PolarHBondContact N-O 2.82Å; L195-A215 PolarHBondContact O-N 3.26Å; A200-A215 HydrophobicContact CB-CB 3.99Å
216	I	95.6	Very high	93.6	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.3	170.8	-64.4	159.4	0	0	0	107.5	L162 V164 L170 W174 I177 V194	L162-I216 PolarHBondContact N-O 3.03Å; L162-I216 PolarHBondContact O-N 3.25Å; V164-I216 HydrophobicContact CG2-CD1 4.39Å; L170-I216 HydrophobicContact CD1-CD1 4.05Å; L170-I216 HydrophobicContact CD1-CG1 3.91Å; W174-I216 HydrophobicContact CB-CD1 4.15Å; W174-I216 HydrophobicContact CE3-CG2 4.2Å; I177-I216 HydrophobicContact CB-CG2 4.29Å; I177-I216 HydrophobicContact CG1-CG2 4.1Å; I177-I216 HydrophobicContact CG2-CG2 4.19Å; V194-I216 HydrophobicContact CG2-CG1 4.39Å
217	V	95.1	Very high	94.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.4	175.1	-176.4	0	0	0	0	108.9	P159 I160 M161 S192 Y193 L195 M328	P159-V217 HydrophobicContact CB-CG1 3.69Å; I160-V217 WeakPolarHBondContact O-CA 3.41Å; M161-V217 HydrophobicContact CB-CG2 4.35Å; M161-V217 HydrophobicContact CG-CG2 4.3Å; S192-V217 CarbonylContact C-O 3.52Å; S192-V217 WeakPolarHBondContact CA-O 3.36Å; S192-V217 WeakPolarHBondContact CB-O 3.26Å; Y193-V217 HydrophobicContact CD1-CB 4.26Å; Y193-V217 HydrophobicContact CD2-CB 4.22Å; Y193-V217 HydrophobicContact CD2-CG2 4.38Å; Y193-V217 HydrophobicContact CE1-CB 3.79Å; Y193-V217 HydrophobicContact CE1-CG1 3.78Å; Y193-V217 HydrophobicContact CE2-CB 3.76Å; Y193-V217 HydrophobicContact CE2-CG1 4.38Å; Y193-V217 HydrophobicContact CE2-CG2 3.69Å; Y193-V217 HydrophobicContact CG-CB 4.46Å; Y193-V217 PolarHBondContact N-O 3.26Å; Y193-V217 PolarHBondContact O-N 2.84Å; L195-V217 HydrophobicContact CD1-CG2 3.66Å; L195-V217 HydrophobicContact CG-CG2 4.07Å; V217-M328 HydrophobicContact CG2-SD 4.26Å
218	Y	94.1	Very high	94.5	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.016	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	170.1	170.3	78.3	-81.8	0	0	0	109.7	V119 P159 I160 I177 D220 L331	V119-Y218 HydrophobicContact CG2-CD2 4.12Å; V119-Y218 HydrophobicContact CG2-CE2 3.76Å; P159-Y218 CarbonylContact C-O 3.42Å; P159-Y218 WeakPolarHBondContact CA-O 3.39Å; I160-Y218 HydrophobicContact CB-CD1 4.23Å; I160-Y218 HydrophobicContact CB-CE1 3.75Å; I160-Y218 HydrophobicContact CD1-CE2 4.35Å; I160-Y218 HydrophobicContact CG2-CE1 3.75Å; I160-Y218 PolarHBondContact N-O 3.34Å; I160-Y218 WeakPolarHBondContact O-CD1 3.43Å; I160-Y218 PolarHBondContact O-N 3.43Å; I160-Y218 VanDerWaalsContact O-N 3.11Å; I177-Y218 HydrophobicContact CD1-CD1 4.12Å; I177-Y218 HydrophobicContact CD1-CG 4.12Å; Y218-D220 HydrophobicContact CE2-CB 4.26Å; Y218-D220 WeakPolarHBondContact CE2-OD2 3.32Å; Y218-L331 HydrophobicContact CE1-CD2 4.02Å
219	Y	93	Very high	94.9	Very high	33 Å²	33	24.5 Å²	24.5	13%	0.129	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135	-177.1	-69.9	-97.3	0	0	0	111.4	R144 P159 K190 Y193	R144-Y219 PolarHBondContact NH1-O 2.87Å; P159-Y219 HydrophobicContact CB-CD1 3.98Å; P159-Y219 HydrophobicContact CB-CE1 3.59Å; P159-Y219 HydrophobicContact CG-CE1 4.11Å; K190-Y219 HydrophobicContact CB-CD1 4.11Å; K190-Y219 HydrophobicContact CB-CD2 3.57Å; K190-Y219 HydrophobicContact CB-CE1 4.08Å; K190-Y219 HydrophobicContact CB-CE2 3.53Å; K190-Y219 HydrophobicContact CB-CG 3.85Å; K190-Y219 HydrophobicContact CD-CD1 4.18Å; K190-Y219 HydrophobicContact CD-CE1 3.61Å; K190-Y219 HydrophobicContact CD-CE2 4.36Å; K190-Y219 HydrophobicContact CG-CD1 4.47Å; K190-Y219 HydrophobicContact CG-CE1 4.31Å; K190-Y219 WeakPolarHBondContact O-CD2 3.45Å; Y193-Y219 HydrophobicContact CD1-CE2 4.4Å; Y193-Y219 AromaticContact CE1-CE2 3.94Å; Y193-Y219 HydrophobicContact CE1-CE2 3.94Å
220	D	92.7	Very high	95.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	178.2	168.4	-113.5	-33.4	0	0	0	110.2	H116 G117 R144 L158 I160 Y218	H116-D220 IonicContact CD2-OD2 2.75Å; H116-D220 IonicContact CE1-OD2 3.64Å; H116-D220 PolarHBondContact CE1-OD2 3.3Å; H116-D220 IonicContact CG-OD2 3.6Å; H116-D220 IonicContact ND1-OD2 3.35Å; H116-D220 PolarHBondContact ND1-OD2 2.96Å; H116-D220 VanDerWaalsContact ND1-OD2 3.17Å; H116-D220 IonicContact NE2-OD2 3.43Å; G117-D220 PolarHBondContact N-OD1 3.01Å; R144-D220 IonicContact CZ-OD1 2.67Å; R144-D220 IonicContact NH1-OD1 2.94Å; R144-D220 PolarHBondContact NH1-OD1 3.48Å; L158-D220 PolarHBondContact N-O 3.43Å; L158-D220 PolarHBondContact O-N 3.31Å; L158-D220 VanDerWaalsContact O-N 3.07Å; I160-D220 HydrophobicContact CD1-CB 3.94Å; Y218-D220 HydrophobicContact CE2-CB 4.26Å; Y218-D220 WeakPolarHBondContact CE2-OD2 3.32Å
221	G	93.8	Very high	95.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	145.7	175.3	0	0	0	0	0	111.8	L114 I115	L114-G221 WeakPolarHBondContact CA-O 3.46Å; L114-G221 WeakPolarHBondContact CD2-O 3.45Å; I115-G221 PolarHBondContact N-O 2.94Å; I115-G221 PolarHBondContact O-N 2.98Å
222	Q	95.4	Very high	96	Very high	31 Å²	31	8.2 Å²	8.2	15%	0.145	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	150.7	166.3	-171.6	178.6	45.2	0	0	109.1	K113 L114 S155 A156 L158 P345	K113-Q222 WeakPolarHBondContact O-CA 3.37Å; K113-Q222 WeakPolarHBondContact O-CG 3.18Å; L114-Q222 HydrophobicContact CD2-CB 4.27Å; L114-Q222 HydrophobicContact CD2-CG 4.4Å; S155-Q222 CarbonylContact C-O 3.51Å; S155-Q222 WeakPolarHBondContact CA-O 3.27Å; S155-Q222 WeakPolarHBondContact CB-O 3.19Å; A156-Q222 PolarHBondContact N-O 3.41Å; A156-Q222 PolarHBondContact O-N 3.44Å; L158-Q222 HydrophobicContact CB-CB 3.94Å; L158-Q222 HydrophobicContact CD2-CB 4.18Å; L158-Q222 HydrophobicContact CD2-CG 4.47Å; Q222-P345 PolarHBondContact NE2-O 3.31Å; Q222-P345 PolarHBondContact OE1-O 3.41Å
223	H	96.6	Very high	96.2	Very high	5 Å²	5	8 Å²	8	2%	0.023	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	169.3	178.2	69.5	165.5	0	0	0	113.6	K113 I115 L154 M228 W437	K113-H223 VanDerWaalsContact C-CD2 3.41Å; K113-H223 WeakPolarHBondContact CB-O 3.31Å; K113-H223 PolarHBondContact O-CD2 3.13Å; K113-H223 PolarHBondContact O-N 2.75Å; I115-H223 HydrophobicContact CD1-CB 3.72Å; I115-H223 HydrophobicContact CG1-CB 4.11Å; L154-H223 CarbonylContact O-C 3.55Å; L154-H223 WeakPolarHBondContact O-CA 3.36Å; L154-H223 WeakPolarHBondContact O-CB 3.48Å; H223-M228 HydrophobicContact CB-CE 4.25Å; H223-W437 AromaticContact CE1-CD1 3.88Å; H223-W437 AromaticContact CE1-CD2 3.32Å; H223-W437 AromaticContact CE1-CE2 3.48Å; H223-W437 VanDerWaalsContact CE1-CE2 3.48Å; H223-W437 AromaticContact CE1-CE3 3.56Å; H223-W437 AromaticContact CE1-CG 3.7Å; H223-W437 AromaticContact CE1-NE1 3.73Å; H223-W437 AromaticContact ND1-CE2 4Å; H223-W437 AromaticContact ND1-CE3 3.88Å
224	N	97.1	Very high	96.3	Very high	10 Å²	10	5.3 Å²	5.3	5%	0.053	3%	0.026	C	C	.	.			trans	-94	97.1	162.5	-171.7	-38	0	0	0	109.6	L154 A226 R227 M228	L154-N224 PolarHBondContact O-N 2.62Å; N224-A226 PolarHBondContact O-N 3.34Å; N224-R227 HydrophobicContact CB-CB 4.12Å; N224-R227 HydrophobicContact CB-CG 4.41Å; N224-R227 PolarHBondContact O-N 2.88Å; N224-R227 WeakPolarHBondContact OD1-CG 3.24Å; N224-R227 PolarHBondContact OD1-N 3.47Å; N224-M228 WeakPolarHBondContact O-CB 3.28Å; N224-M228 PolarHBondContact O-N 3.31Å
225	D	97.4	Very high	96.3	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-58.7	-39	-171.3	63.2	-3.6	0	0	0	114.8	S108 S109 R110 S111 K113 N229	S108-D225 VanDerWaalsContact O-CB 3.3Å; S108-D225 WeakPolarHBondContact O-CB 3.42Å; S108-D225 VanDerWaalsContact O-CG 3.22Å; S109-D225 VanDerWaalsContact C-OD2 3.24Å; R110-D225 PolarHBondContact N-OD2 3.24Å; S111-D225 WeakPolarHBondContact CB-OD2 3.49Å; S111-D225 PolarHBondContact N-OD2 3.19Å; S111-D225 VanDerWaalsContact N-OD2 3.13Å; S111-D225 PolarHBondContact OG-OD2 2.87Å; K113-D225 HydrophobicContact CD-CB 4.26Å; K113-D225 VanDerWaalsContact CD-CG 3.5Å; K113-D225 WeakPolarHBondContact CD-OD2 3.32Å; K113-D225 IonicContact NZ-OD1 3.68Å; K113-D225 PolarHBondContact NZ-OD1 2.69Å; K113-D225 IonicContact NZ-OD2 2.76Å; K113-D225 PolarHBondContact NZ-OD2 3.14Å; D225-N229 WeakPolarHBondContact O-CB 3.23Å; D225-N229 PolarHBondContact O-N 2.98Å
226	A	97.7	Very high	96.4	Very high	2 Å²	2	5.4 Å²	5.4	2%	0.017	3%	0.026	C	C	.	.	H	α-helix	trans	-74.2	-46.4	-179.5	0	0	0	0	0	112.2	N224 M228 N229 L230 R554	N224-A226 PolarHBondContact O-N 3.34Å; A226-M228 VanDerWaalsContact C-N 3.29Å; A226-M228 PolarHBondContact O-N 3.49Å; A226-N229 PolarHBondContact O-N 3.28Å; A226-L230 WeakPolarHBondContact O-CB 3.39Å; A226-L230 PolarHBondContact O-N 3.26Å; A226-R554 HydrophobicContact CB-CB 4.4Å; A226-R554 HydrophobicContact CB-CG 4.24Å
227	R	97.7	Very high	96.4	Very high	12 Å²	12	5.5 Å²	5.5	5%	0.045	3%	0.026	C	C	.	.	H	α-helix	trans	-62.3	-39.5	174	-69.5	-65.1	-58.9	168.9	10.1	111.2	L154 N224 L230 A231 T500 Y501 E543	L154-R227 HydrophobicContact CD1-CB 4.27Å; L154-R227 HydrophobicContact CD2-CB 3.66Å; L154-R227 HydrophobicContact CD2-CG 4.47Å; N224-R227 HydrophobicContact CB-CB 4.12Å; N224-R227 HydrophobicContact CB-CG 4.41Å; N224-R227 PolarHBondContact O-N 2.88Å; N224-R227 WeakPolarHBondContact OD1-CG 3.24Å; N224-R227 PolarHBondContact OD1-N 3.47Å; R227-L230 PolarHBondContact O-N 3.04Å; R227-A231 WeakPolarHBondContact O-CB 3.23Å; R227-A231 PolarHBondContact O-N 2.88Å; R227-T500 HydrophobicContact CG-CG2 4.18Å; R227-T500 PolarHBondContact NE-O 2.92Å; R227-T500 PolarHBondContact NH2-O 2.83Å; R227-Y501 VanDerWaalsContact NH2-CD1 3.27Å; R227-E543 IonicContact CZ-OE1 3.94Å; R227-E543 IonicContact CZ-OE2 3.16Å; R227-E543 IonicContact NH1-OE1 2.64Å; R227-E543 PolarHBondContact NH1-OE1 3.03Å; R227-E543 IonicContact NH1-OE2 3.45Å; R227-E543 PolarHBondContact NH1-OE2 2.84Å; R227-E543 IonicContact NH2-OE1 3.11Å; R227-E543 PolarHBondContact NH2-OE1 3.36Å; R227-E543 IonicContact NH2-OE2 2.76Å
228	M	98.1	Very high	96.3	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-62.8	-47.1	176.6	-173.1	71.2	79.5	0	0	111.5	L147 A151 L154 H223 N224 A226 L230 A231 I232 W437 L469	L147-M228 HydrophobicContact CD2-CE 4.08Å; L147-M228 HydrophobicContact CD2-CG 4.44Å; L147-M228 HydrophobicContact CD2-SD 4.13Å; A151-M228 HydrophobicContact CB-CE 3.68Å; A151-M228 HydrophobicContact CB-SD 3.51Å; A151-M228 VanDerWaalsContact CB-SD 3.51Å; L154-M228 HydrophobicContact CB-CE 3.67Å; L154-M228 HydrophobicContact CB-SD 4.27Å; L154-M228 HydrophobicContact CD1-CB 4.35Å; L154-M228 HydrophobicContact CD1-SD 4.16Å; H223-M228 HydrophobicContact CB-CE 4.25Å; N224-M228 WeakPolarHBondContact O-CB 3.28Å; N224-M228 PolarHBondContact O-N 3.31Å; A226-M228 VanDerWaalsContact C-N 3.29Å; A226-M228 PolarHBondContact O-N 3.49Å; M228-L230 VanDerWaalsContact C-N 3.34Å; M228-L230 PolarHBondContact O-N 3.03Å; M228-A231 PolarHBondContact O-N 2.88Å; M228-I232 HydrophobicContact CG-CD1 4.45Å; M228-I232 VanDerWaalsContact O-CG1 3.3Å; M228-I232 WeakPolarHBondContact O-CG1 3.49Å; M228-I232 PolarHBondContact O-N 3.47Å; M228-W437 HydrophobicContact CB-CH2 4.07Å; M228-W437 HydrophobicContact CB-CZ2 3.77Å; M228-W437 HydrophobicContact CG-CH2 3.14Å; M228-W437 HydrophobicContact CG-CZ2 3.36Å; M228-W437 HydrophobicContact CG-CZ3 4.19Å; M228-W437 HydrophobicContact SD-CH2 4.43Å; M228-L469 HydrophobicContact SD-CD1 3.75Å
229	N	98.6	Very high	96.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.5	-42.1	175.3	-175.7	65.4	0	0	0	112.6	G77 G78 A79 C82 S104 D225 A226 I232 A233	G77-N229 PolarHBondContact O-ND2 3.36Å; G78-N229 PolarHBondContact O-OD1 3.34Å; A79-N229 WeakPolarHBondContact CA-OD1 3.44Å; A79-N229 PolarHBondContact N-OD1 3.47Å; C82-N229 PolarHBondContact SG-OD1 3.34Å; C82-N229 VanDerWaalsContact SG-OD1 3.39Å; S104-N229 WeakPolarHBondContact CA-ND2 3.3Å; S104-N229 VanDerWaalsContact CB-ND2 3.32Å; S104-N229 WeakPolarHBondContact CB-ND2 3.4Å; S104-N229 PolarHBondContact N-ND2 3.29Å; S104-N229 WeakPolarHBondContact OG-CB 3.49Å; D225-N229 WeakPolarHBondContact O-CB 3.23Å; D225-N229 PolarHBondContact O-N 2.98Å; A226-N229 PolarHBondContact O-N 3.28Å; N229-I232 WeakPolarHBondContact O-CB 3.39Å; N229-I232 PolarHBondContact O-N 2.81Å; N229-A233 PolarHBondContact O-N 2.91Å
230	L	98.1	Very high	96.3	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.01	5%	0.051	C	C	.	.	H	α-helix	trans	-62	-44.2	176.3	-179.6	63.4	0	0	0	111.1	F103 A226 R227 M228 I232 A233 L234 E543 R555	F103-L230 HydrophobicContact CB-CD1 4.47Å; F103-L230 HydrophobicContact CD2-CD1 4.39Å; A226-L230 WeakPolarHBondContact O-CB 3.39Å; A226-L230 PolarHBondContact O-N 3.26Å; R227-L230 PolarHBondContact O-N 3.04Å; M228-L230 VanDerWaalsContact C-N 3.34Å; M228-L230 PolarHBondContact O-N 3.03Å; L230-I232 VanDerWaalsContact C-N 3.29Å; L230-I232 PolarHBondContact O-N 3.2Å; L230-A233 PolarHBondContact O-N 3.37Å; L230-A233 VanDerWaalsContact O-N 3.15Å; L230-L234 HydrophobicContact CD1-CD1 4.19Å; L230-L234 HydrophobicContact CD1-CD2 4.5Å; L230-L234 HydrophobicContact CD1-CG 4.07Å; L230-L234 HydrophobicContact CG-CD1 3.9Å; L230-L234 HydrophobicContact CG-CG 4.21Å; L230-L234 WeakPolarHBondContact O-CB 3.45Å; L230-L234 VanDerWaalsContact O-CG 3.28Å; L230-L234 WeakPolarHBondContact O-CG 3.45Å; L230-L234 PolarHBondContact O-N 2.89Å; L230-E543 HydrophobicContact CD2-CB 4.15Å; L230-R555 VanDerWaalsContact CD2-CD 3.47Å; L230-R555 VanDerWaalsContact CD2-NE 3.35Å
231	A	97.8	Very high	96.5	Very high	7 Å²	7	8.9 Å²	8.9	6%	0.058	5%	0.052	C	C	.	.	H	α-helix	trans	-59.6	-39.5	175.6	0	0	0	0	0	111.6	L154 R227 M228 T235 L469	L154-A231 HydrophobicContact CD1-CB 3.88Å; R227-A231 WeakPolarHBondContact O-CB 3.23Å; R227-A231 PolarHBondContact O-N 2.88Å; M228-A231 PolarHBondContact O-N 2.88Å; A231-T235 VanDerWaalsContact O-CB 3.25Å; A231-T235 WeakPolarHBondContact O-CB 3.48Å; A231-T235 PolarHBondContact O-N 2.71Å; A231-T235 PolarHBondContact O-OG1 3.04Å; A231-L469 HydrophobicContact CB-CB 4.23Å; A231-L469 HydrophobicContact CB-CD1 4.34Å
232	I	98.4	Very high	96.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.8	-48.2	173.8	-62.8	159.8	0	0	0	110.7	C82 L86 M228 N229 L230 T235 A236 W437 Y440 L469	C82-I232 VanDerWaalsContact C-CG2 3.48Å; C82-I232 HydrophobicContact CB-CB 4.16Å; C82-I232 HydrophobicContact CB-CG2 3.67Å; C82-I232 WeakPolarHBondContact O-CG2 3.39Å; L86-I232 HydrophobicContact CB-CG2 4.19Å; L86-I232 HydrophobicContact CD2-CG2 3.93Å; M228-I232 HydrophobicContact CG-CD1 4.45Å; M228-I232 VanDerWaalsContact O-CG1 3.3Å; M228-I232 WeakPolarHBondContact O-CG1 3.49Å; M228-I232 PolarHBondContact O-N 3.47Å; N229-I232 WeakPolarHBondContact O-CB 3.39Å; N229-I232 PolarHBondContact O-N 2.81Å; L230-I232 VanDerWaalsContact C-N 3.29Å; L230-I232 PolarHBondContact O-N 3.2Å; I232-T235 PolarHBondContact O-N 2.67Å; I232-A236 PolarHBondContact O-N 3.46Å; I232-W437 HydrophobicContact CD1-CH2 4.05Å; I232-W437 HydrophobicContact CD1-CZ2 4.3Å; I232-Y440 HydrophobicContact CD1-CD2 3.93Å; I232-Y440 HydrophobicContact CD1-CE1 4.41Å; I232-Y440 HydrophobicContact CD1-CE2 3.31Å; I232-Y440 HydrophobicContact CG1-CE2 4.12Å; I232-Y440 HydrophobicContact CG2-CE2 4.48Å; I232-L469 HydrophobicContact CG1-CD1 3.66Å; I232-L469 HydrophobicContact CG1-CD2 4.23Å
233	A	98	Very high	96.8	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.008	5%	0.046	C	C	.	.	H	α-helix	trans	-62.5	-46.1	179.7	0	0	0	0	0	112.4	C82 F103 N229 L230 T235 A236 A237	C82-A233 HydrophobicContact CB-CB 4.43Å; F103-A233 HydrophobicContact CD1-CB 4.06Å; F103-A233 HydrophobicContact CD2-CB 4.47Å; F103-A233 HydrophobicContact CE1-CB 4.25Å; F103-A233 HydrophobicContact CG-CB 4.19Å; N229-A233 PolarHBondContact O-N 2.91Å; L230-A233 PolarHBondContact O-N 3.37Å; L230-A233 VanDerWaalsContact O-N 3.15Å; A233-T235 VanDerWaalsContact C-N 3.34Å; A233-A236 WeakPolarHBondContact O-CB 3.49Å; A233-A236 PolarHBondContact O-N 3.48Å; A233-A237 PolarHBondContact O-N 2.83Å
234	L	96.4	Very high	96.9	Very high	3 Å²	3	7.3 Å²	7.3	2%	0.016	5%	0.045	C	C	.	.	H	α-helix	trans	-63.4	-42	176.5	-67.9	177.9	0	0	0	110.8	F54 L230 A236 A237 R238 E470 E543 Y544	F54-L234 HydrophobicContact CE1-CB 3.92Å; F54-L234 HydrophobicContact CE1-CD2 4.34Å; F54-L234 WeakPolarHBondContact CE1-O 3.43Å; F54-L234 HydrophobicContact CZ-CB 3.92Å; L230-L234 HydrophobicContact CD1-CD1 4.19Å; L230-L234 HydrophobicContact CD1-CD2 4.5Å; L230-L234 HydrophobicContact CD1-CG 4.07Å; L230-L234 HydrophobicContact CG-CD1 3.9Å; L230-L234 HydrophobicContact CG-CG 4.21Å; L230-L234 WeakPolarHBondContact O-CB 3.45Å; L230-L234 VanDerWaalsContact O-CG 3.28Å; L230-L234 WeakPolarHBondContact O-CG 3.45Å; L230-L234 PolarHBondContact O-N 2.89Å; L234-A236 VanDerWaalsContact C-N 3.34Å; L234-A236 PolarHBondContact O-N 3.33Å; L234-A237 WeakPolarHBondContact O-CB 3.2Å; L234-A237 PolarHBondContact O-N 3.33Å; L234-R238 WeakPolarHBondContact O-CB 3.24Å; L234-R238 PolarHBondContact O-N 2.94Å; L234-E470 HydrophobicContact CB-CB 4.45Å; L234-E543 HydrophobicContact CD1-CB 4.2Å; L234-E543 HydrophobicContact CD1-CG 3.95Å; L234-Y544 HydrophobicContact CD2-CD2 3.81Å; L234-Y544 HydrophobicContact CD2-CE2 3.55Å
235	T	96.4	Very high	96.9	Very high	4 Å²	4	6.8 Å²	6.8	3%	0.025	4%	0.042	C	C	.	.	H	α-helix	trans	-58.7	-47.7	174.5	-54.3	0	0	0	0	110	L86 A231 I232 A233 A237 R238 Y239 L467 L469 E470	L86-T235 HydrophobicContact CD1-CG2 3.72Å; L86-T235 HydrophobicContact CD2-CG2 4.41Å; A231-T235 VanDerWaalsContact O-CB 3.25Å; A231-T235 WeakPolarHBondContact O-CB 3.48Å; A231-T235 PolarHBondContact O-N 2.71Å; A231-T235 PolarHBondContact O-OG1 3.04Å; I232-T235 PolarHBondContact O-N 2.67Å; A233-T235 VanDerWaalsContact C-N 3.34Å; T235-A237 VanDerWaalsContact C-N 3.32Å; T235-A237 PolarHBondContact O-N 3.29Å; T235-R238 WeakPolarHBondContact O-CB 3.37Å; T235-R238 PolarHBondContact O-N 3Å; T235-Y239 HydrophobicContact CG2-CD2 3.86Å; T235-Y239 HydrophobicContact CG2-CE2 3.72Å; T235-Y239 VanDerWaalsContact O-CD2 3.29Å; T235-Y239 WeakPolarHBondContact O-CD2 3.43Å; T235-Y239 PolarHBondContact O-N 2.88Å; T235-L467 HydrophobicContact CG2-CD2 3.76Å; T235-L469 HydrophobicContact CG2-CD2 4.32Å; T235-E470 PolarHBondContact OG1-N 3.32Å
236	A	96.8	Very high	97	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-57.3	-44	176.2	0	0	0	0	0	112.3	A85 L86 V89 I232 A233 L234 R238 Y239 G240 A241	A85-A236 HydrophobicContact CB-CB 4.36Å; L86-A236 HydrophobicContact CB-CB 4.07Å; L86-A236 HydrophobicContact CD1-CB 4.31Å; V89-A236 HydrophobicContact CG1-CB 4.43Å; I232-A236 PolarHBondContact O-N 3.46Å; A233-A236 WeakPolarHBondContact O-CB 3.49Å; A233-A236 PolarHBondContact O-N 3.48Å; L234-A236 VanDerWaalsContact C-N 3.34Å; L234-A236 PolarHBondContact O-N 3.33Å; A236-R238 VanDerWaalsContact C-N 3.32Å; A236-R238 PolarHBondContact O-N 3.35Å; A236-Y239 PolarHBondContact O-N 3.3Å; A236-G240 PolarHBondContact O-N 2.84Å; A236-A241 HydrophobicContact CB-CB 4.12Å; A236-A241 VanDerWaalsContact O-CB 3.28Å; A236-A241 WeakPolarHBondContact O-CB 3.46Å; A236-A241 PolarHBondContact O-N 3.08Å
237	A	95.9	Very high	97	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.008	5%	0.046	C	C	.	.	H	α-helix	trans	-60.2	-40.3	175.1	0	0	0	0	0	112.6	A233 L234 T235 Y239 G240 T243	A233-A237 PolarHBondContact O-N 2.83Å; L234-A237 WeakPolarHBondContact O-CB 3.2Å; L234-A237 PolarHBondContact O-N 3.33Å; T235-A237 VanDerWaalsContact C-N 3.32Å; T235-A237 PolarHBondContact O-N 3.29Å; A237-Y239 VanDerWaalsContact C-N 3.33Å; A237-Y239 PolarHBondContact O-N 2.87Å; A237-G240 WeakPolarHBondContact O-CA 3.21Å; A237-G240 PolarHBondContact O-N 3.45Å; A237-T243 HydrophobicContact CB-CG2 4.15Å
238	R	92.6	Very high	97	Very high	29 Å²	29	9.3 Å²	9.3	11%	0.109	5%	0.054	C	C	.	.	H	α-helix	trans	-65.5	-35.4	178.3	-165.8	-179	-80.3	-82.2	15	112.4	I50 K51 F54 L234 T235 A236 G240 E470	I50-R238 HydrophobicContact CG2-CG 3.57Å; K51-R238 PolarHBondContact O-NH1 2.96Å; F54-R238 HydrophobicContact CE1-CB 3.95Å; F54-R238 VanDerWaalsContact CZ-NH2 3.3Å; L234-R238 WeakPolarHBondContact O-CB 3.24Å; L234-R238 PolarHBondContact O-N 2.94Å; T235-R238 WeakPolarHBondContact O-CB 3.37Å; T235-R238 PolarHBondContact O-N 3Å; A236-R238 VanDerWaalsContact C-N 3.32Å; A236-R238 PolarHBondContact O-N 3.35Å; R238-G240 PolarHBondContact O-N 3.46Å; R238-E470 IonicContact CZ-OE1 2.76Å; R238-E470 IonicContact CZ-OE2 3.6Å; R238-E470 VanDerWaalsContact CZ-OE2 3.24Å; R238-E470 IonicContact NE-OE1 3.53Å; R238-E470 IonicContact NE-OE2 2.72Å; R238-E470 PolarHBondContact NE-OE2 3.31Å; R238-E470 IonicContact NH2-OE1 3.53Å; R238-E470 PolarHBondContact NH2-OE1 3.42Å; R238-E470 IonicContact NH2-OE2 3.19Å; R238-E470 PolarHBondContact NH2-OE2 3.37Å
239	Y	93.5	Very high	97.1	Very high	38 Å²	38	10 Å²	10	15%	0.149	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-4.4	171.6	-81	-90.4	0	0	0	113.6	V46 V48 L86 V89 T90 T235 A236 A237 L467	V46-Y239 HydrophobicContact CG1-CE1 3.92Å; V48-Y239 HydrophobicContact CB-CD1 4.06Å; V48-Y239 HydrophobicContact CB-CE1 3.98Å; V48-Y239 HydrophobicContact CG1-CD1 4.04Å; V48-Y239 HydrophobicContact CG1-CE1 4.45Å; V48-Y239 HydrophobicContact CG2-CD1 4.45Å; V48-Y239 HydrophobicContact CG2-CE1 4.38Å; L86-Y239 HydrophobicContact CD1-CD2 4.32Å; V89-Y239 WeakPolarHBondContact CG2-O 2.98Å; T90-Y239 HydrophobicContact CG2-CD1 3.85Å; T90-Y239 HydrophobicContact CG2-CD2 4.23Å; T90-Y239 HydrophobicContact CG2-CE1 4.08Å; T90-Y239 HydrophobicContact CG2-CE2 4.47Å; T90-Y239 HydrophobicContact CG2-CG 3.93Å; T235-Y239 HydrophobicContact CG2-CD2 3.86Å; T235-Y239 HydrophobicContact CG2-CE2 3.72Å; T235-Y239 VanDerWaalsContact O-CD2 3.29Å; T235-Y239 WeakPolarHBondContact O-CD2 3.43Å; T235-Y239 PolarHBondContact O-N 2.88Å; A236-Y239 PolarHBondContact O-N 3.3Å; A237-Y239 VanDerWaalsContact C-N 3.33Å; A237-Y239 PolarHBondContact O-N 2.87Å; Y239-L467 HydrophobicContact CE2-CD1 4.32Å; Y239-L467 HydrophobicContact CE2-CD2 4.19Å
240	G	94	Very high	97	Very high	40 Å²	40	12.6 Å²	12.6	41%	0.412	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.4	9.3	171.9	0	0	0	0	0	115.5	A236 A237 R238	A236-G240 PolarHBondContact O-N 2.84Å; A237-G240 WeakPolarHBondContact O-CA 3.21Å; A237-G240 PolarHBondContact O-N 3.45Å; R238-G240 PolarHBondContact O-N 3.46Å
241	A	96.9	Very high	97	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.008	9%	0.094	C	C	.	.			trans	-67.7	139.4	171.7	0	0	0	0	0	110.4	Q60 V89 T95 A236 T243	Q60-A241 PolarHBondContact NE2-O 3.19Å; V89-A241 HydrophobicContact CB-CB 4.16Å; V89-A241 HydrophobicContact CG1-CB 4.31Å; V89-A241 HydrophobicContact CG2-CB 4.18Å; T95-A241 HydrophobicContact CG2-CB 4.4Å; T95-A241 WeakPolarHBondContact O-CA 3.45Å; A236-A241 HydrophobicContact CB-CB 4.12Å; A236-A241 VanDerWaalsContact O-CB 3.28Å; A236-A241 WeakPolarHBondContact O-CB 3.46Å; A236-A241 PolarHBondContact O-N 3.08Å; A241-T243 HydrophobicContact CB-CG2 3.97Å; A241-T243 PolarHBondContact O-N 2.96Å
242	A	97.9	Very high	97.1	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.008	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	98.5	173	0	0	0	0	0	109.2	T63 L64 F70 T95 A96 L97	T63-A242 HydrophobicContact CG2-CB 3.89Å; L64-A242 HydrophobicContact CD2-CB 3.75Å; L64-A242 HydrophobicContact CG-CB 4.01Å; F70-A242 HydrophobicContact CE1-CB 3.83Å; F70-A242 HydrophobicContact CZ-CB 3.96Å; T95-A242 PolarHBondContact O-N 3.46Å; A96-A242 CarbonylContact C-O 3.6Å; A96-A242 WeakPolarHBondContact CA-O 3.41Å; L97-A242 PolarHBondContact N-O 3.26Å
243	T	97.4	Very high	97	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.3	-173.7	66.3	0	0	0	0	111.2	Q60 L97 A237 A241	Q60-T243 VanDerWaalsContact CB-O 3.3Å; Q60-T243 WeakPolarHBondContact CB-O 3.48Å; Q60-T243 WeakPolarHBondContact CG-O 3.34Å; Q60-T243 PolarHBondContact NE2-OG1 3.26Å; L97-T243 HydrophobicContact CB-CG2 4.04Å; L97-T243 HydrophobicContact CD2-CG2 4.12Å; L97-T243 WeakPolarHBondContact O-CA 3.48Å; A237-T243 HydrophobicContact CB-CG2 4.15Å; A241-T243 HydrophobicContact CB-CG2 3.97Å; A241-T243 PolarHBondContact O-N 2.96Å
244	A	97.6	Very high	96.9	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.008	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	121.3	177.2	0	0	0	0	0	112.1	L61 L64 L97 E99 T247	L61-A244 HydrophobicContact CD2-CB 3.93Å; L64-A244 HydrophobicContact CD1-CB 3.55Å; L97-A244 PolarHBondContact O-N 3.47Å; E99-A244 PolarHBondContact N-O 2.84Å; A244-T247 WeakPolarHBondContact CB-OG1 3.44Å
245	N	98.2	Very high	96.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-81	164.5	163.2	68.7	-19.1	0	0	0	110.3	R57 E99 D101 D102 F103 T247 Y544	R57-N245 WeakPolarHBondContact CD-OD1 3.43Å; R57-N245 PolarHBondContact NE-O 3.11Å; R57-N245 PolarHBondContact NE-OD1 2.99Å; R57-N245 PolarHBondContact NH2-O 3.33Å; E99-N245 CarbonylContact O-C 3.55Å; E99-N245 WeakPolarHBondContact O-CA 3.45Å; D101-N245 WeakPolarHBondContact O-CB 3.37Å; D102-N245 PolarHBondContact OD1-ND2 3.2Å; F103-N245 HydrophobicContact CD2-CB 3.92Å; F103-N245 HydrophobicContact CE2-CB 3.76Å; F103-N245 HydrophobicContact CG-CB 4.43Å; F103-N245 HydrophobicContact CZ-CB 4.12Å; N245-T247 VanDerWaalsContact C-N 3.25Å; N245-T247 PolarHBondContact O-N 2.99Å; N245-T247 PolarHBondContact O-OG1 3.37Å; N245-Y544 PolarHBondContact ND2-O 3.05Å
246	Y	98.4	Very high	96.5	Very high	20 Å²	20	34.9 Å²	34.9	8%	0.078	17%	0.166	C	C	.	.	S	Bend	trans	56.1	37	-173.2	-61	-79.4	0	0	0	114	R57 E99 R100 D101 D102 D272 T273 L274 R546 T547 D550	R57-Y246 PolarHBondContact NH2-O 2.84Å; E99-Y246 PolarHBondContact O-N 3.42Å; R100-Y246 VanDerWaalsContact O-CA 3.28Å; R100-Y246 WeakPolarHBondContact O-CA 3.49Å; D101-Y246 PolarHBondContact O-N 2.92Å; D102-Y246 HydrophobicContact CB-CE2 4.19Å; Y246-D272 WeakPolarHBondContact O-CA 3.31Å; Y246-T273 WeakPolarHBondContact CB-OG1 3.44Å; Y246-T273 PolarHBondContact O-N 3.03Å; Y246-T273 PolarHBondContact O-OG1 2.92Å; Y246-L274 HydrophobicContact CD1-CD2 3.9Å; Y246-L274 HydrophobicContact CD1-CG 4.42Å; Y246-L274 HydrophobicContact CD2-CD1 4.24Å; Y246-L274 HydrophobicContact CD2-CD2 4.48Å; Y246-L274 HydrophobicContact CE1-CD2 4.43Å; Y246-L274 HydrophobicContact CG-CD1 4.17Å; Y246-L274 HydrophobicContact CG-CD2 3.92Å; Y246-L274 HydrophobicContact CG-CG 4Å; Y246-R546 HydrophobicContact CD2-CB 3.93Å; Y246-R546 HydrophobicContact CD2-CG 4.13Å; Y246-R546 HydrophobicContact CE2-CB 3.69Å; Y246-R546 HydrophobicContact CE2-CG 4.25Å; Y246-T547 HydrophobicContact CE1-CG2 4.06Å; Y246-T547 WeakPolarHBondContact OH-CG2 2.94Å; Y246-T547 PolarHBondContact OH-OG1 3.25Å; Y246-D550 VanDerWaalsContact OH-CG 3.22Å; Y246-D550 PolarHBondContact OH-OD1 3.43Å; Y246-D550 PolarHBondContact OH-OD2 3.17Å
247	T	98.5	Very high	95.9	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	99.3	177.3	-51.7	0	0	0	0	109.7	L98 E99 A244 N245 C270 R271 F279	L98-T247 HydrophobicContact CD1-CG2 4.36Å; L98-T247 HydrophobicContact CD2-CG2 3.83Å; L98-T247 HydrophobicContact CG-CG2 4.48Å; E99-T247 CarbonylContact C-O 3.54Å; E99-T247 PolarHBondContact O-N 3.41Å; A244-T247 WeakPolarHBondContact CB-OG1 3.44Å; N245-T247 VanDerWaalsContact C-N 3.25Å; N245-T247 PolarHBondContact O-N 2.99Å; N245-T247 PolarHBondContact O-OG1 3.37Å; T247-C270 HydrophobicContact CG2-CB 4.06Å; T247-R271 CarbonylContact C-O 3.05Å; T247-R271 WeakPolarHBondContact CA-O 3.48Å; T247-F279 HydrophobicContact CG2-CE1 4.49Å; T247-F279 HydrophobicContact CG2-CZ 3.91Å
248	E	98.4	Very high	95.1	Very high	46 Å²	46	42.8 Å²	42.8	22%	0.215	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	133.3	-176.7	-172.3	172.5	-152.8	0	0	111.4	R100 L250 C270 R271 T273	R100-E248 HydrophobicContact CB-CB 4.42Å; R100-E248 HydrophobicContact CB-CG 4.46Å; R100-E248 WeakPolarHBondContact CD-OE1 3.36Å; R100-E248 HydrophobicContact CG-CB 3.85Å; R100-E248 HydrophobicContact CG-CG 3.77Å; E248-L250 HydrophobicContact CG-CD2 4.03Å; E248-C270 CarbonylContact O-C 3.51Å; E248-C270 WeakPolarHBondContact O-CA 3.31Å; E248-C270 WeakPolarHBondContact O-CB 3.47Å; E248-R271 PolarHBondContact N-O 3.31Å; E248-R271 PolarHBondContact O-N 3.41Å; E248-R271 IonicContact OE2-CZ 3.9Å; E248-R271 IonicContact OE2-NE 3.74Å; E248-R271 IonicContact OE2-NH2 3.24Å; E248-R271 PolarHBondContact OE2-NH2 3.11Å; E248-T273 HydrophobicContact CB-CG2 3.82Å
249	V	98.6	Very high	94.4	Very high	14 Å²	14	52.9 Å²	52.9	9%	0.085	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	117.6	166.7	171.7	0	0	0	0	109.3	I75 L98 A268 C270 M300	I75-V249 HydrophobicContact CD1-CB 4.42Å; I75-V249 HydrophobicContact CD1-CG1 4.12Å; I75-V249 HydrophobicContact CD1-CG2 4.04Å; I75-V249 HydrophobicContact CG1-CG2 4.1Å; I75-V249 HydrophobicContact CG2-CB 4.3Å; I75-V249 HydrophobicContact CG2-CG2 3.97Å; L98-V249 HydrophobicContact CD1-CG2 3.85Å; V249-A268 HydrophobicContact CG1-CB 3.77Å; V249-A268 HydrophobicContact CG2-CB 4.01Å; V249-C270 HydrophobicContact CG2-CB 4.44Å; V249-M300 HydrophobicContact CG1-SD 4.37Å
250	L	98.1	Very high	93.9	Very high	54 Å²	54	54 Å²	54	28%	0.283	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-39	-178.6	-61.7	-179.2	0	0	0	112.3	E248 H269 R271 E278	E248-L250 HydrophobicContact CG-CD2 4.03Å; L250-H269 PolarHBondContact N-O 3.39Å; L250-R271 HydrophobicContact CD1-CB 3.93Å; L250-R271 HydrophobicContact CG-CB 4.22Å; L250-E278 HydrophobicContact CD1-CG 4.47Å; L250-E278 WeakPolarHBondContact CD1-OE1 3.13Å
251	R	97.9	Very high	93.3	Very high	128 Å²	128	54.7 Å²	54.7	48%	0.483	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	154.9	177	60.1	-179.7	178.8	85.9	8.1	111.3	H269	R251-H269 HydrophobicContact CG-CB 3.72Å; R251-H269 PolarHBondContact N-O 3.33Å; R251-H269 PolarHBondContact O-N 3.28Å
252	L	98.4	Very high	92.8	Very high	12 Å²	12	60.1 Å²	60.1	6%	0.063	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	142.1	172	-61.9	177	0	0	0	110.6	I75 V265 V286 M300 D301 L429	I75-L252 HydrophobicContact CD1-CD2 4.05Å; L252-V265 HydrophobicContact CB-CG1 4.41Å; L252-V265 HydrophobicContact CD1-CG2 4.19Å; L252-V265 HydrophobicContact CD2-CG1 4.44Å; L252-V286 HydrophobicContact CD2-CG1 4.15Å; L252-M300 HydrophobicContact CD1-CB 4.19Å; L252-M300 HydrophobicContact CG-CB 4.07Å; L252-D301 HydrophobicContact CD1-CB 3.8Å; L252-L429 HydrophobicContact CD1-CD1 4.3Å; L252-L429 HydrophobicContact CD1-CD2 4.16Å
253	L	97.8	Very high	92.5	Very high	19 Å²	19	65.2 Å²	65.2	10%	0.099	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131.5	170	-60	176.5	0	0	0	108.1	V265 C266 G267 H269 D280	L253-V265 CarbonylContact O-C 3.58Å; L253-V265 WeakPolarHBondContact O-CA 3.07Å; L253-C266 PolarHBondContact O-N 2.88Å; L253-G267 PolarHBondContact N-O 3.05Å; L253-H269 HydrophobicContact CD2-CB 4.09Å; L253-D280 HydrophobicContact CD1-CB 3.86Å
254	K	95.7	Very high	92.4	Very high	72 Å²	72	70.4 Å²	70.4	31%	0.313	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.1	176.4	-60.4	-168.6	-173.9	-164.5	0	110.8	E263 R264 V265 D301	K254-E263 HydrophobicContact CB-CB 4.44Å; K254-E263 HydrophobicContact CD-CB 4.13Å; K254-E263 WeakPolarHBondContact CD-OE2 3.28Å; K254-R264 CarbonylContact C-O 3.54Å; K254-R264 VanDerWaalsContact CA-O 3.23Å; K254-R264 WeakPolarHBondContact CA-O 3.49Å; K254-V265 HydrophobicContact CG-CG2 4.29Å; K254-D301 WeakPolarHBondContact CE-OD1 3.44Å; K254-D301 PolarHBondContact NZ-O 2.99Å; K254-D301 IonicContact NZ-OD1 3.64Å; K254-D301 PolarHBondContact NZ-OD1 3.22Å
255	R	93.3	Very high	92.3	Very high	176 Å²	176	70.7 Å²	70.7	66%	0.664	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	131.5	172.7	-176.2	177.8	-177.9	-178.3	1.8	108.9	D257 R264 C266	R255-D257 PolarHBondContact O-N 3.28Å; R255-R264 PolarHBondContact N-O 3.1Å; R255-R264 PolarHBondContact O-N 3.25Å; R255-C266 HydrophobicContact CB-CB 4.31Å
256	T	91.3	Very high	92.3	Very high	78 Å²	78	72.4 Å²	72.4	48%	0.479	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	124.3	171.8	-44.3	0	0	0	0	109.5	P258	T256-P258 WeakPolarHBondContact O-CD 3.46Å
257	D	83.5	Confident	92.3	Very high	51 Å²	51	71.5 Å²	71.5	27%	0.273	35%	0.349	S	S	.	.			trans	-68.8	118.8	172.3	174.4	0.4	0	0	0	109.2	R255 R259 S260 G261 K262	R255-D257 PolarHBondContact O-N 3.28Å; D257-R259 PolarHBondContact O-N 3.35Å; D257-R259 VanDerWaalsContact O-N 3.14Å; D257-R259 PolarHBondContact OD1-N 2.77Å; D257-S260 VanDerWaalsContact CB-OG 3.3Å; D257-S260 WeakPolarHBondContact CB-OG 3.42Å; D257-S260 PolarHBondContact O-N 3.42Å; D257-S260 WeakPolarHBondContact OD2-CB 3.32Å; D257-S260 PolarHBondContact OD2-OG 2.96Å; D257-G261 WeakPolarHBondContact O-CA 3.41Å; D257-G261 PolarHBondContact O-N 3.3Å; D257-K262 PolarHBondContact N-O 2.92Å
258	P	79.4	Confident	92.3	Very high	116 Å²	116	71.4 Å²	71.4	75%	0.753	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.3	-179	-20.8	31.8	0	0	0	114.1	T256	T256-P258 WeakPolarHBondContact O-CD 3.46Å
259	R	78.7	Confident	92.3	Very high	242 Å²	242	70.5 Å²	70.5	91%	0.913	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-41	-177.3	-65.3	-176.6	-178.6	-178.5	1.6	112.8	D257	D257-R259 PolarHBondContact O-N 3.35Å; D257-R259 VanDerWaalsContact O-N 3.14Å; D257-R259 PolarHBondContact OD1-N 2.77Å
260	S	81	Confident	92.3	Very high	60 Å²	60	69.8 Å²	69.8	42%	0.42	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-15.2	-175.8	65.9	0	0	0	0	113.8	D257 K262	D257-S260 VanDerWaalsContact CB-OG 3.3Å; D257-S260 WeakPolarHBondContact CB-OG 3.42Å; D257-S260 PolarHBondContact O-N 3.42Å; D257-S260 WeakPolarHBondContact OD2-CB 3.32Å; D257-S260 PolarHBondContact OD2-OG 2.96Å; S260-K262 PolarHBondContact O-N 3.15Å; S260-K262 PolarHBondContact OG-N 3.08Å
261	G	82.8	Confident	92.3	Very high	56 Å²	56	71.3 Å²	71.3	58%	0.577	34%	0.342	S	S	*	.			trans	69.4	0.7	-173.7	0	0	0	0	0	114.1	D257	D257-G261 WeakPolarHBondContact O-CA 3.41Å; D257-G261 PolarHBondContact O-N 3.3Å
262	K	86.4	Confident	92.3	Very high	115 Å²	115	65.3 Å²	65.3	50%	0.5	32%	0.32	S	S	.	.			trans	-84.2	145.2	-179.7	-65.4	-169.7	175.4	-167.1	0	111.1	D257 S260	D257-K262 PolarHBondContact N-O 2.92Å; S260-K262 PolarHBondContact O-N 3.15Å; S260-K262 PolarHBondContact OG-N 3.08Å
263	E	91.9	Very high	92.2	Very high	108 Å²	108	67.4 Å²	67.4	51%	0.505	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	133.1	170.8	-63.1	-166.9	145.4	0	0	110.9	K254 S427	K254-E263 HydrophobicContact CB-CB 4.44Å; K254-E263 HydrophobicContact CD-CB 4.13Å; K254-E263 WeakPolarHBondContact CD-OE2 3.28Å; E263-S427 WeakPolarHBondContact O-CA 3.46Å; E263-S427 WeakPolarHBondContact O-CB 3.22Å
264	R	94.1	Very high	92.1	Very high	110 Å²	110	69.9 Å²	69.9	42%	0.415	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138	175	-68.1	-65.2	-168.4	170	-0.4	110.3	K254 R255 C266 D426 S427	K254-R264 CarbonylContact C-O 3.54Å; K254-R264 VanDerWaalsContact CA-O 3.23Å; K254-R264 WeakPolarHBondContact CA-O 3.49Å; R255-R264 PolarHBondContact N-O 3.1Å; R255-R264 PolarHBondContact O-N 3.25Å; R264-C266 PolarHBondContact O-N 3.34Å; R264-D426 PolarHBondContact NH1-O 2.86Å; R264-S427 CarbonylContact C-O 3.44Å; R264-S427 VanDerWaalsContact CA-O 3.27Å; R264-S427 WeakPolarHBondContact CA-O 3.33Å; R264-S427 WeakPolarHBondContact CD-O 3.1Å
265	V	97	Very high	92	Very high	7 Å²	7	71 Å²	71	4%	0.042	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.9	173.2	175.2	0	0	0	0	109	L252 L253 K254 V286 S427 L429	L252-V265 HydrophobicContact CB-CG1 4.41Å; L252-V265 HydrophobicContact CD1-CG2 4.19Å; L252-V265 HydrophobicContact CD2-CG1 4.44Å; L253-V265 CarbonylContact O-C 3.58Å; L253-V265 WeakPolarHBondContact O-CA 3.07Å; K254-V265 HydrophobicContact CG-CG2 4.29Å; V265-V286 HydrophobicContact CG1-CB 3.82Å; V265-V286 HydrophobicContact CG1-CG2 3.53Å; V265-S427 WeakPolarHBondContact CG2-OG 3.26Å; V265-S427 PolarHBondContact N-O 3.15Å; V265-L429 HydrophobicContact CG2-CB 4.47Å
266	C	96.9	Very high	92.2	Very high	36 Å²	36	64.9 Å²	64.9	24%	0.243	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	15.7	-175.1	64.8	0	0	0	0	113.7	L253 R255 R264 K282 A283	L253-C266 PolarHBondContact O-N 2.88Å; R255-C266 HydrophobicContact CB-CB 4.31Å; R264-C266 PolarHBondContact O-N 3.34Å; C266-K282 WeakPolarHBondContact O-CA 3.46Å; C266-A283 CarbonylContact C-O 3.58Å; C266-A283 VanDerWaalsContact CA-O 3.29Å; C266-A283 WeakPolarHBondContact CA-O 3.4Å; C266-A283 PolarHBondContact O-N 2.78Å
267	G	97.9	Very high	92.4	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.2	-163.8	179.5	0	0	0	0	0	112.8	L253 V281	L253-G267 PolarHBondContact N-O 3.05Å; G267-V281 CarbonylContact C-O 3.23Å; G267-V281 WeakPolarHBondContact CA-O 3.4Å
268	A	98.4	Very high	93.1	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	145.2	177.5	0	0	0	0	0	111.3	L73 V249 V281	L73-A268 HydrophobicContact CD2-CB 3.7Å; V249-A268 HydrophobicContact CG1-CB 3.77Å; V249-A268 HydrophobicContact CG2-CB 4.01Å; A268-V281 PolarHBondContact N-O 2.89Å; A268-V281 PolarHBondContact O-N 3.47Å
269	H	98.6	Very high	94	Very high	26 Å²	26	63.6 Å²	63.6	12%	0.12	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.1	164.8	-175.8	69.1	0	0	0	108.2	L250 R251 L253 E278 D280	L250-H269 PolarHBondContact N-O 3.39Å; R251-H269 HydrophobicContact CG-CB 3.72Å; R251-H269 PolarHBondContact N-O 3.33Å; R251-H269 PolarHBondContact O-N 3.28Å; L253-H269 HydrophobicContact CD2-CB 4.09Å; H269-E278 IonicContact CE1-OE2 3.8Å; H269-E278 IonicContact NE2-OE2 3.85Å; H269-E278 PolarHBondContact NE2-OE2 2.96Å; H269-D280 IonicContact CE1-OD1 2.66Å; H269-D280 IonicContact CG-OD1 3.68Å; H269-D280 IonicContact ND1-OD1 3.6Å; H269-D280 PolarHBondContact ND1-OD1 2.85Å
270	C	98.1	Very high	95	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	160.1	-169.3	44.3	0	0	0	0	112.7	L98 T247 E248 V249 E278 F279 V281	L98-C270 HydrophobicContact CD1-CB 4.17Å; T247-C270 HydrophobicContact CG2-CB 4.06Å; E248-C270 CarbonylContact O-C 3.51Å; E248-C270 WeakPolarHBondContact O-CA 3.31Å; E248-C270 WeakPolarHBondContact O-CB 3.47Å; V249-C270 HydrophobicContact CG2-CB 4.44Å; C270-E278 CarbonylContact O-C 3.33Å; C270-E278 VanDerWaalsContact O-CA 3.27Å; C270-E278 WeakPolarHBondContact O-CA 3.38Å; C270-F279 PolarHBondContact N-O 2.69Å; C270-F279 PolarHBondContact O-N 3.05Å; C270-F279 VanDerWaalsContact SG-CE2 3.6Å; C270-F279 PolarHBondContact SG-O 2.98Å; C270-V281 VanDerWaalsContact SG-CG2 3.59Å
271	R	98.5	Very high	95.8	Very high	85 Å²	85	52.7 Å²	52.7	32%	0.321	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126	-175	-177.7	173.6	61.6	-171.2	-0.1	110.2	T247 E248 L250 T273 Q277 E278	T247-R271 CarbonylContact C-O 3.05Å; T247-R271 WeakPolarHBondContact CA-O 3.48Å; E248-R271 PolarHBondContact N-O 3.31Å; E248-R271 PolarHBondContact O-N 3.41Å; E248-R271 IonicContact OE2-CZ 3.9Å; E248-R271 IonicContact OE2-NE 3.74Å; E248-R271 IonicContact OE2-NH2 3.24Å; E248-R271 PolarHBondContact OE2-NH2 3.11Å; L250-R271 HydrophobicContact CD1-CB 3.93Å; L250-R271 HydrophobicContact CG-CB 4.22Å; R271-T273 PolarHBondContact O-N 2.98Å; R271-Q277 WeakPolarHBondContact CA-O 3.45Å; R271-E278 HydrophobicContact CB-CG 3.97Å; R271-E278 HydrophobicContact CG-CG 3.93Å
272	D	98.1	Very high	96.5	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	111.3	165.2	178.5	0.5	0	0	0	108.4	R57 L61 Y246 L274 T275 G276 Q277	R57-D272 IonicContact CZ-OD1 2.73Å; R57-D272 IonicContact CZ-OD2 2.72Å; R57-D272 IonicContact NH1-OD1 3.6Å; R57-D272 IonicContact NH1-OD2 3.89Å; R57-D272 PolarHBondContact NH1-OD2 3.14Å; R57-D272 VanDerWaalsContact NH2-CG 3.33Å; R57-D272 IonicContact NH2-OD1 2.9Å; R57-D272 PolarHBondContact NH2-OD1 3.35Å; R57-D272 IonicContact NH2-OD2 3.24Å; L61-D272 WeakPolarHBondContact CD1-OD2 3.33Å; Y246-D272 WeakPolarHBondContact O-CA 3.31Å; D272-L274 PolarHBondContact O-N 3.4Å; D272-L274 WeakPolarHBondContact OD1-CB 3.44Å; D272-L274 PolarHBondContact OD1-N 3.08Å; D272-T275 WeakPolarHBondContact CB-OG1 3.48Å; D272-T275 PolarHBondContact O-N 3.4Å; D272-T275 WeakPolarHBondContact OD2-CG2 3.46Å; D272-T275 PolarHBondContact OD2-OG1 3Å; D272-G276 VanDerWaalsContact O-CA 3.31Å; D272-G276 WeakPolarHBondContact O-CA 3.2Å; D272-G276 PolarHBondContact O-N 3.07Å; D272-Q277 PolarHBondContact N-O 2.9Å
273	T	96.8	Very high	97.1	Very high	56 Å²	56	50 Å²	50	34%	0.344	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-13.8	-174.7	57.7	0	0	0	0	112.7	Y246 E248 R271	Y246-T273 WeakPolarHBondContact CB-OG1 3.44Å; Y246-T273 PolarHBondContact O-N 3.03Å; Y246-T273 PolarHBondContact O-OG1 2.92Å; E248-T273 HydrophobicContact CB-CG2 3.82Å; R271-T273 PolarHBondContact O-N 2.98Å
274	L	94.9	Very high	97.4	Very high	71 Å²	71	49.3 Å²	49.3	37%	0.372	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-34.7	175.5	-56.3	-178.5	0	0	0	112.7	Y246 D272 R546	Y246-L274 HydrophobicContact CD1-CD2 3.9Å; Y246-L274 HydrophobicContact CD1-CG 4.42Å; Y246-L274 HydrophobicContact CD2-CD1 4.24Å; Y246-L274 HydrophobicContact CD2-CD2 4.48Å; Y246-L274 HydrophobicContact CE1-CD2 4.43Å; Y246-L274 HydrophobicContact CG-CD1 4.17Å; Y246-L274 HydrophobicContact CG-CD2 3.92Å; Y246-L274 HydrophobicContact CG-CG 4Å; D272-L274 PolarHBondContact O-N 3.4Å; D272-L274 WeakPolarHBondContact OD1-CB 3.44Å; D272-L274 PolarHBondContact OD1-N 3.08Å; L274-R546 HydrophobicContact CD1-CB 3.72Å; L274-R546 HydrophobicContact CD1-CG 3.77Å
275	T	94.4	Very high	97.6	Very high	94 Å²	94	44.1 Å²	44.1	58%	0.577	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-18.4	-174.8	61.8	0	0	0	0	113.5	D272 Q277	D272-T275 WeakPolarHBondContact CB-OG1 3.48Å; D272-T275 PolarHBondContact O-N 3.4Å; D272-T275 WeakPolarHBondContact OD2-CG2 3.46Å; D272-T275 PolarHBondContact OD2-OG1 3Å; T275-Q277 PolarHBondContact O-N 2.53Å; T275-Q277 PolarHBondContact OG1-N 2.82Å
276	G	96.4	Very high	97.7	Very high	48 Å²	48	43.8 Å²	43.8	50%	0.495	23%	0.229	S	C	.	.			trans	76.3	0.7	-172.4	0	0	0	0	0	114.1	D272 E278	D272-G276 VanDerWaalsContact O-CA 3.31Å; D272-G276 WeakPolarHBondContact O-CA 3.2Å; D272-G276 PolarHBondContact O-N 3.07Å; G276-E278 PolarHBondContact O-N 3.09Å
277	Q	97.1	Very high	97.7	Very high	100 Å²	100	42.1 Å²	42.1	47%	0.467	22%	0.217	S	C	.	.			trans	-69.9	128.1	-179.4	-172.7	-176.6	9	0	0	110.9	R271 D272 T275	R271-Q277 WeakPolarHBondContact CA-O 3.45Å; D272-Q277 PolarHBondContact N-O 2.9Å; T275-Q277 PolarHBondContact O-N 2.53Å; T275-Q277 PolarHBondContact OG1-N 2.82Å
278	E	98.2	Very high	97.8	Very high	98 Å²	98	42.1 Å²	42.1	46%	0.458	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	142.1	175.2	-64	-176.1	173.6	0	0	111.3	L250 H269 C270 R271 G276	L250-E278 HydrophobicContact CD1-CG 4.47Å; L250-E278 WeakPolarHBondContact CD1-OE1 3.13Å; H269-E278 IonicContact CE1-OE2 3.8Å; H269-E278 IonicContact NE2-OE2 3.85Å; H269-E278 PolarHBondContact NE2-OE2 2.96Å; C270-E278 CarbonylContact O-C 3.33Å; C270-E278 VanDerWaalsContact O-CA 3.27Å; C270-E278 WeakPolarHBondContact O-CA 3.38Å; R271-E278 HydrophobicContact CB-CG 3.97Å; R271-E278 HydrophobicContact CG-CG 3.93Å; G276-E278 PolarHBondContact O-N 3.09Å
279	F	98.3	Very high	97.8	Very high	20 Å²	20	42.4 Å²	42.4	9%	0.088	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	163.3	178.8	59.2	-84.4	0	0	0	111.6	L61 L64 Q65 T247 C270 V281	L61-F279 HydrophobicContact CD2-CE1 4.39Å; L61-F279 HydrophobicContact CD2-CZ 3.99Å; L64-F279 HydrophobicContact CB-CE2 4.09Å; Q65-F279 HydrophobicContact CG-CB 4.18Å; Q65-F279 HydrophobicContact CG-CD1 4.25Å; Q65-F279 HydrophobicContact CG-CD2 3.63Å; Q65-F279 HydrophobicContact CG-CE2 4.01Å; Q65-F279 HydrophobicContact CG-CG 3.76Å; Q65-F279 HydrophobicContact CG-CZ 4.48Å; T247-F279 HydrophobicContact CG2-CE1 4.49Å; T247-F279 HydrophobicContact CG2-CZ 3.91Å; C270-F279 PolarHBondContact N-O 2.69Å; C270-F279 PolarHBondContact O-N 3.05Å; C270-F279 VanDerWaalsContact SG-CE2 3.6Å; C270-F279 PolarHBondContact SG-O 2.98Å; F279-V281 HydrophobicContact CD2-CG2 3.89Å; F279-V281 HydrophobicContact CE2-CG2 3.59Å
280	D	98.4	Very high	97.7	Very high	74 Å²	74	42.3 Å²	42.3	40%	0.396	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.9	177.8	-73.2	-11.8	0	0	0	110.6	L253 H269	L253-D280 HydrophobicContact CD1-CB 3.86Å; H269-D280 IonicContact CE1-OD1 2.66Å; H269-D280 IonicContact CG-OD1 3.68Å; H269-D280 IonicContact ND1-OD1 3.6Å; H269-D280 PolarHBondContact ND1-OD1 2.85Å
281	V	98.6	Very high	97.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	112.6	168.3	177.9	0	0	0	0	108.2	L64 F70 L73 A96 G267 A268 C270 F279	L64-V281 HydrophobicContact CB-CG2 4.2Å; L64-V281 HydrophobicContact CD2-CG1 4.45Å; L64-V281 HydrophobicContact CD2-CG2 4.41Å; F70-V281 HydrophobicContact CD2-CG1 3.76Å; F70-V281 HydrophobicContact CE2-CG1 3.9Å; L73-V281 HydrophobicContact CD1-CG1 4.13Å; L73-V281 HydrophobicContact CD2-CB 4.46Å; L73-V281 HydrophobicContact CD2-CG1 4.19Å; A96-V281 HydrophobicContact CB-CG1 4.37Å; G267-V281 CarbonylContact C-O 3.23Å; G267-V281 WeakPolarHBondContact CA-O 3.4Å; A268-V281 PolarHBondContact N-O 2.89Å; A268-V281 PolarHBondContact O-N 3.47Å; C270-V281 VanDerWaalsContact SG-CG2 3.59Å; F279-V281 HydrophobicContact CD2-CG2 3.89Å; F279-V281 HydrophobicContact CE2-CG2 3.59Å
282	K	98.4	Very high	97.5	Very high	113 Å²	113	39.8 Å²	39.8	49%	0.491	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	136.8	179.5	-64.7	-179.3	-176.7	174.6	0	110.7	E69 F70 C266	E69-K282 HydrophobicContact CG-CB 4.47Å; F70-K282 PolarHBondContact N-O 2.89Å; C266-K282 WeakPolarHBondContact O-CA 3.46Å
283	A	98.3	Very high	97.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	148.6	177.3	0	0	0	0	0	112.1	F70 L73 C266	F70-A283 HydrophobicContact CB-CB 4.06Å; F70-A283 CarbonylContact O-C 3.43Å; F70-A283 WeakPolarHBondContact O-CA 3.39Å; L73-A283 HydrophobicContact CB-CB 3.49Å; L73-A283 VanDerWaalsContact CB-CB 3.49Å; C266-A283 CarbonylContact C-O 3.58Å; C266-A283 VanDerWaalsContact CA-O 3.29Å; C266-A283 WeakPolarHBondContact CA-O 3.4Å; C266-A283 PolarHBondContact O-N 2.78Å
284	K	97.5	Very high	97.4	Very high	95 Å²	95	39.2 Å²	39.2	41%	0.413	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-39.8	175	-63.3	172.2	-172.9	161.3	0	111.8	E69 F70 D71 H455 F457	E69-K284 HydrophobicContact CG-CG 4.22Å; E69-K284 WeakPolarHBondContact OE2-CE 3.49Å; F70-K284 PolarHBondContact O-N 3.24Å; D71-K284 IonicContact OD1-NZ 3.76Å; D71-K284 PolarHBondContact OD1-NZ 2.96Å; K284-H455 PolarHBondContact O-CE1 3.48Å; K284-H455 PolarHBondContact O-ND1 3.13Å; K284-F457 HydrophobicContact CB-CE1 4.12Å; K284-F457 HydrophobicContact CB-CZ 3.91Å; K284-F457 HydrophobicContact CD-CE1 3.86Å; K284-F457 HydrophobicContact CD-CZ 4.48Å
285	C	98.3	Very high	97.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.3	176	179.7	0	0	0	0	110.4	D71 V72 L73 H455 F457	D71-C285 PolarHBondContact O-N 3.38Å; V72-C285 WeakPolarHBondContact CA-O 3.49Å; V72-C285 HydrophobicContact CG2-CB 4.43Å; L73-C285 PolarHBondContact N-O 3.16Å; C285-H455 HydrophobicContact CB-CB 4.46Å; C285-H455 PolarHBondContact SG-CD2 3.4Å; C285-F457 HydrophobicContact CB-CE2 3.82Å; C285-F457 HydrophobicContact CB-CZ 3.96Å
286	V	98.8	Very high	97.5	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.2	171.4	-178.4	0	0	0	0	109.1	L73 I75 L252 V265 L429 V430	L73-V286 HydrophobicContact CB-CG2 4.34Å; L73-V286 HydrophobicContact CD2-CG1 4.49Å; L73-V286 HydrophobicContact CD2-CG2 4.22Å; L73-V286 CarbonylContact O-C 3.36Å; L73-V286 WeakPolarHBondContact O-CA 3.21Å; I75-V286 HydrophobicContact CD1-CG1 3.63Å; I75-V286 HydrophobicContact CG1-CG1 4.14Å; L252-V286 HydrophobicContact CD2-CG1 4.15Å; V265-V286 HydrophobicContact CG1-CB 3.82Å; V265-V286 HydrophobicContact CG1-CG2 3.53Å; V286-L429 HydrophobicContact CB-CD1 4.06Å; V286-L429 HydrophobicContact CG1-CD1 3.83Å; V286-V430 PolarHBondContact O-N 2.9Å
287	I	98.8	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	121.4	179.5	-58.4	-180	0	0	0	109.1	V72 L73 V74 I75 V430 I432 T447 I448 A451	V72-I287 HydrophobicContact CG1-CD1 3.48Å; V72-I287 VanDerWaalsContact CG1-CD1 3.48Å; V72-I287 HydrophobicContact CG1-CG1 3.98Å; L73-I287 PolarHBondContact O-N 3.25Å; V74-I287 HydrophobicContact CG2-CB 4.4Å; V74-I287 HydrophobicContact CG2-CD1 4.39Å; I75-I287 PolarHBondContact N-O 2.94Å; I287-V430 CarbonylContact C-O 3.56Å; I287-V430 VanDerWaalsContact CA-O 3.31Å; I287-V430 WeakPolarHBondContact CA-O 3.37Å; I287-V430 HydrophobicContact CG1-CB 4.19Å; I287-I432 HydrophobicContact CG2-CG2 4.49Å; I287-T447 HydrophobicContact CD1-CG2 4.31Å; I287-T447 HydrophobicContact CG2-CG2 3.64Å; I287-I448 HydrophobicContact CD1-CD1 3.43Å; I287-I448 VanDerWaalsContact CD1-CD1 3.43Å; I287-A451 HydrophobicContact CD1-CB 4.21Å
288	N	98.8	Very high	97.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	111.1	171.3	175.7	21.8	0	0	0	110.2	T290 T294 V297 L429 V430 T431 I432	N288-T290 WeakPolarHBondContact OD1-CG2 3.47Å; N288-T290 PolarHBondContact OD1-N 2.92Å; N288-T290 PolarHBondContact OD1-OG1 2.9Å; N288-T294 PolarHBondContact ND2-O 3.44Å; N288-V297 HydrophobicContact CB-CB 4.41Å; N288-V297 HydrophobicContact CB-CG1 3.89Å; N288-L429 HydrophobicContact CB-CD1 4.32Å; N288-V430 PolarHBondContact N-O 3.09Å; N288-T431 HydrophobicContact CB-CG2 4.26Å; N288-I432 WeakPolarHBondContact O-CG2 3.06Å; N288-I432 PolarHBondContact O-N 3.32Å
289	A	98.3	Very high	97.4	Very high	6 Å²	6	29.1 Å²	29.1	5%	0.05	15%	0.15	C	C	.	.			trans	-129	38.5	179.1	0	0	0	0	0	111.7	V74 I75 T80 G291 I432	V74-A289 HydrophobicContact CG1-CB 4.26Å; I75-A289 CarbonylContact O-C 3.57Å; I75-A289 WeakPolarHBondContact O-CA 3.38Å; I75-A289 PolarHBondContact O-N 2.9Å; T80-A289 HydrophobicContact CG2-CB 4.07Å; A289-G291 VanDerWaalsContact C-N 3.29Å; A289-G291 PolarHBondContact O-N 3.19Å; A289-I432 HydrophobicContact CB-CG2 3.68Å
290	T	97.6	Very high	97.3	Very high	25 Å²	25	31.4 Å²	31.4	15%	0.153	16%	0.162	C	C	.	.			trans	-87.3	16.5	-170.3	60.9	0	0	0	0	114.7	I75 N288 F293 T294 V297	I75-T290 HydrophobicContact CB-CG2 4.27Å; I75-T290 HydrophobicContact CG2-CG2 3.67Å; I75-T290 WeakPolarHBondContact O-CG2 3.38Å; N288-T290 WeakPolarHBondContact OD1-CG2 3.47Å; N288-T290 PolarHBondContact OD1-N 2.92Å; N288-T290 PolarHBondContact OD1-OG1 2.9Å; T290-F293 WeakPolarHBondContact O-CB 3.41Å; T290-F293 PolarHBondContact O-N 2.84Å; T290-F293 PolarHBondContact OG1-O 2.7Å; T290-F293 VanDerWaalsContact OG1-O 3.13Å; T290-T294 VanDerWaalsContact OG1-CA 3.27Å; T290-T294 WeakPolarHBondContact OG1-CA 3.28Å; T290-T294 PolarHBondContact OG1-N 3.4Å; T290-T294 VanDerWaalsContact OG1-N 3.17Å; T290-V297 HydrophobicContact CG2-CG2 3.83Å
291	G	95.7	Very high	97.2	Very high	20 Å²	20	28.8 Å²	28.8	21%	0.206	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	58.3	-123.4	172.3	0	0	0	0	0	112	A289 F293 T294	A289-G291 VanDerWaalsContact C-N 3.29Å; A289-G291 PolarHBondContact O-N 3.19Å; G291-F293 PolarHBondContact O-N 3.29Å; G291-F293 VanDerWaalsContact O-N 3.12Å; G291-T294 WeakPolarHBondContact O-CB 3.43Å; G291-T294 PolarHBondContact O-N 3.35Å; G291-T294 VanDerWaalsContact O-N 3.09Å; G291-T294 PolarHBondContact O-OG1 3.07Å
292	P	95.5	Very high	97	Very high	12 Å²	12	32.8 Å²	32.8	8%	0.078	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-58.4	-23.3	177	-25.4	35.1	0	0	0	114.4	T107 T294 V361 I401 P403	T107-P292 WeakPolarHBondContact OG1-CD 3.35Å; T107-P292 VanDerWaalsContact OG1-CG 3.31Å; T107-P292 WeakPolarHBondContact OG1-CG 3.29Å; P292-T294 VanDerWaalsContact C-N 3.26Å; P292-T294 PolarHBondContact O-N 2.89Å; P292-V361 HydrophobicContact CB-CG1 3.95Å; P292-V361 HydrophobicContact CB-CG2 4.37Å; P292-V361 WeakPolarHBondContact O-CG2 3.39Å; P292-I401 HydrophobicContact CB-CB 4.35Å; P292-I401 HydrophobicContact CB-CG2 3.88Å; P292-I401 HydrophobicContact CG-CB 4Å; P292-I401 HydrophobicContact CG-CG2 3.91Å; P292-I401 WeakPolarHBondContact CG-O 3.4Å; P292-P403 HydrophobicContact CG-CB 4.16Å
293	F	96.8	Very high	96.8	Very high	47 Å²	47	35 Å²	35	21%	0.206	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-88	10.3	179.9	-61.6	-87.2	0	0	0	113.3	T290 G291 D295 S296 V361	T290-F293 WeakPolarHBondContact O-CB 3.41Å; T290-F293 PolarHBondContact O-N 2.84Å; T290-F293 PolarHBondContact OG1-O 2.7Å; T290-F293 VanDerWaalsContact OG1-O 3.13Å; G291-F293 PolarHBondContact O-N 3.29Å; G291-F293 VanDerWaalsContact O-N 3.12Å; F293-D295 VanDerWaalsContact C-N 3.27Å; F293-D295 PolarHBondContact O-N 2.93Å; F293-S296 VanDerWaalsContact O-CB 3.3Å; F293-S296 WeakPolarHBondContact O-CB 3.39Å; F293-S296 PolarHBondContact O-N 3.25Å; F293-V361 HydrophobicContact CD1-CG1 3.61Å; F293-V361 HydrophobicContact CD2-CG1 4.3Å; F293-V361 HydrophobicContact CE1-CG1 3.49Å; F293-V361 VanDerWaalsContact CE1-CG1 3.49Å; F293-V361 HydrophobicContact CE2-CG1 4.19Å; F293-V361 HydrophobicContact CG-CG1 4.02Å; F293-V361 HydrophobicContact CZ-CG1 3.79Å
294	T	95.9	Very high	96.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-49.6	-47.7	-176.2	-70.1	0	0	0	0	112.1	N288 T290 G291 P292 S296 V297 R298 I308 T431 A433	N288-T294 PolarHBondContact ND2-O 3.44Å; T290-T294 VanDerWaalsContact OG1-CA 3.27Å; T290-T294 WeakPolarHBondContact OG1-CA 3.28Å; T290-T294 PolarHBondContact OG1-N 3.4Å; T290-T294 VanDerWaalsContact OG1-N 3.17Å; G291-T294 WeakPolarHBondContact O-CB 3.43Å; G291-T294 PolarHBondContact O-N 3.35Å; G291-T294 VanDerWaalsContact O-N 3.09Å; G291-T294 PolarHBondContact O-OG1 3.07Å; P292-T294 VanDerWaalsContact C-N 3.26Å; P292-T294 PolarHBondContact O-N 2.89Å; T294-S296 VanDerWaalsContact C-N 3.31Å; T294-S296 PolarHBondContact O-N 2.9Å; T294-V297 PolarHBondContact O-N 3.44Å; T294-R298 HydrophobicContact CG2-CG 4.28Å; T294-R298 WeakPolarHBondContact O-CG 3.27Å; T294-R298 PolarHBondContact O-N 3.08Å; T294-R298 VanDerWaalsContact O-N 3.1Å; T294-I308 HydrophobicContact CG2-CD1 4.21Å; T294-I308 HydrophobicContact CG2-CG1 4.48Å; T294-T431 HydrophobicContact CG2-CG2 3.41Å; T294-T431 VanDerWaalsContact CG2-CG2 3.41Å; T294-A433 HydrophobicContact CG2-CB 4.04Å
295	D	95.9	Very high	96.3	Very high	13 Å²	13	39.6 Å²	39.6	7%	0.07	21%	0.206	C	C	.	.	H	α-helix	trans	-69.3	-26.9	-177.1	-70.8	-44.1	0	0	0	113.1	F293 V297 R298 K299 N307 I308 C309	F293-D295 VanDerWaalsContact C-N 3.27Å; F293-D295 PolarHBondContact O-N 2.93Å; D295-V297 VanDerWaalsContact C-N 3.32Å; D295-V297 PolarHBondContact O-N 2.93Å; D295-R298 PolarHBondContact O-N 3.35Å; D295-R298 IonicContact OD1-CZ 3.32Å; D295-R298 IonicContact OD1-NH1 3.92Å; D295-R298 PolarHBondContact OD1-NH1 3.17Å; D295-K299 WeakPolarHBondContact O-CB 3.22Å; D295-K299 VanDerWaalsContact O-CG 3.31Å; D295-K299 WeakPolarHBondContact O-CG 3.34Å; D295-K299 PolarHBondContact O-N 3.26Å; D295-N307 WeakPolarHBondContact OD2-CA 3.37Å; D295-N307 WeakPolarHBondContact OD2-CB 3.48Å; D295-I308 PolarHBondContact OD1-N 3.13Å; D295-I308 VanDerWaalsContact OD1-N 3.09Å; D295-I308 PolarHBondContact OD2-N 3.27Å; D295-I308 VanDerWaalsContact OD2-N 3.11Å; D295-C309 VanDerWaalsContact OD2-CB 3.26Å; D295-C309 WeakPolarHBondContact OD2-CB 3.33Å; D295-C309 PolarHBondContact OD2-N 3.21Å
296	S	95.7	Very high	95.9	Very high	67 Å²	67	44 Å²	44	47%	0.469	23%	0.234	S	C	.	.	H	α-helix	trans	-61.5	-41.7	175	-55.8	0	0	0	0	111.4	F293 T294 M300	F293-S296 VanDerWaalsContact O-CB 3.3Å; F293-S296 WeakPolarHBondContact O-CB 3.39Å; F293-S296 PolarHBondContact O-N 3.25Å; T294-S296 VanDerWaalsContact C-N 3.31Å; T294-S296 PolarHBondContact O-N 2.9Å; S296-M300 WeakPolarHBondContact O-CG 3.43Å; S296-M300 PolarHBondContact O-N 3.32Å
297	V	97	Very high	95.5	Very high	9 Å²	9	48.3 Å²	48.3	6%	0.055	26%	0.257	C	S	.	.	H	α-helix	trans	-78.4	-36	177.9	177.5	0	0	0	0	111.5	I75 N288 T290 T294 D295 K299 M300 D301	I75-V297 HydrophobicContact CD1-CG1 4.22Å; N288-V297 HydrophobicContact CB-CB 4.41Å; N288-V297 HydrophobicContact CB-CG1 3.89Å; T290-V297 HydrophobicContact CG2-CG2 3.83Å; T294-V297 PolarHBondContact O-N 3.44Å; D295-V297 VanDerWaalsContact C-N 3.32Å; D295-V297 PolarHBondContact O-N 2.93Å; V297-K299 VanDerWaalsContact C-N 3.25Å; V297-K299 PolarHBondContact O-N 3.1Å; V297-M300 HydrophobicContact CG2-SD 4.45Å; V297-M300 WeakPolarHBondContact O-CB 3.36Å; V297-M300 PolarHBondContact O-N 3.39Å; V297-M300 VanDerWaalsContact O-N 3.08Å; V297-D301 PolarHBondContact O-N 3.47Å
298	R	96.9	Very high	95.1	Very high	24 Å²	24	48.5 Å²	48.5	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-39.1	173.7	-67.8	174.1	74.1	-134.5	2.7	111.5	T294 D295 M300 D301 D302 V305 P306 T431	T294-R298 HydrophobicContact CG2-CG 4.28Å; T294-R298 WeakPolarHBondContact O-CG 3.27Å; T294-R298 PolarHBondContact O-N 3.08Å; T294-R298 VanDerWaalsContact O-N 3.1Å; D295-R298 PolarHBondContact O-N 3.35Å; D295-R298 IonicContact OD1-CZ 3.32Å; D295-R298 IonicContact OD1-NH1 3.92Å; D295-R298 PolarHBondContact OD1-NH1 3.17Å; R298-M300 VanDerWaalsContact C-N 3.3Å; R298-M300 PolarHBondContact O-N 3.04Å; R298-D301 WeakPolarHBondContact O-CB 3.29Å; R298-D301 PolarHBondContact O-N 3.34Å; R298-D302 PolarHBondContact O-N 2.73Å; R298-V305 HydrophobicContact CB-CG1 3.92Å; R298-P306 PolarHBondContact NH1-O 2.67Å; R298-T431 HydrophobicContact CG-CG2 4.1Å
299	K	96.6	Very high	94.8	Very high	85 Å²	85	48.9 Å²	48.9	37%	0.37	26%	0.261	S	S	.	.	H	α-helix	trans	-71.9	-18.7	176.2	-71.8	178.3	-177.4	179.5	0	114.8	D295 V297 D302 V305 N307	D295-K299 WeakPolarHBondContact O-CB 3.22Å; D295-K299 VanDerWaalsContact O-CG 3.31Å; D295-K299 WeakPolarHBondContact O-CG 3.34Å; D295-K299 PolarHBondContact O-N 3.26Å; V297-K299 VanDerWaalsContact C-N 3.25Å; V297-K299 PolarHBondContact O-N 3.1Å; K299-D302 WeakPolarHBondContact CA-O 3.48Å; K299-V305 HydrophobicContact CG-CG1 4.09Å; K299-N307 WeakPolarHBondContact CE-OD1 3.26Å; K299-N307 PolarHBondContact NZ-OD1 2.87Å
300	M	96.4	Very high	94.4	Very high	69 Å²	69	53.1 Å²	53.1	34%	0.34	28%	0.28	S	S	.	.	H	α-helix	trans	-70.1	-25.5	167.8	-62.7	173.2	-177.2	0	0	111.7	V249 L252 S296 V297 R298	V249-M300 HydrophobicContact CG1-SD 4.37Å; L252-M300 HydrophobicContact CD1-CB 4.19Å; L252-M300 HydrophobicContact CG-CB 4.07Å; S296-M300 WeakPolarHBondContact O-CG 3.43Å; S296-M300 PolarHBondContact O-N 3.32Å; V297-M300 HydrophobicContact CG2-SD 4.45Å; V297-M300 WeakPolarHBondContact O-CB 3.36Å; V297-M300 PolarHBondContact O-N 3.39Å; V297-M300 VanDerWaalsContact O-N 3.08Å; R298-M300 VanDerWaalsContact C-N 3.3Å; R298-M300 PolarHBondContact O-N 3.04Å
301	D	96	Very high	94.1	Very high	19 Å²	19	53.1 Å²	53.1	10%	0.102	28%	0.28	C	S	.	.	H	α-helix	trans	-84.6	-54.8	173.3	-174.1	31.8	0	0	0	111	L252 K254 V297 R298 S425 S427 L429	L252-D301 HydrophobicContact CD1-CB 3.8Å; K254-D301 WeakPolarHBondContact CE-OD1 3.44Å; K254-D301 PolarHBondContact NZ-O 2.99Å; K254-D301 IonicContact NZ-OD1 3.64Å; K254-D301 PolarHBondContact NZ-OD1 3.22Å; V297-D301 PolarHBondContact O-N 3.47Å; R298-D301 WeakPolarHBondContact O-CB 3.29Å; R298-D301 PolarHBondContact O-N 3.34Å; D301-S425 VanDerWaalsContact OD2-CB 3.28Å; D301-S425 WeakPolarHBondContact OD2-CB 3.33Å; D301-S425 PolarHBondContact OD2-OG 3.28Å; D301-S427 WeakPolarHBondContact OD1-CB 3.39Å; D301-S427 PolarHBondContact OD1-OG 3.31Å; D301-S427 PolarHBondContact OD2-OG 2.99Å; D301-L429 HydrophobicContact CB-CD2 3.9Å
302	D	94	Very high	93.9	Very high	83 Å²	83	52.5 Å²	52.5	44%	0.444	27%	0.273	S	S	.	.			trans	-138.1	115	-179.7	-178.7	0.6	0	0	0	110.3	R298 K299 E304 V305	R298-D302 PolarHBondContact O-N 2.73Å; K299-D302 WeakPolarHBondContact CA-O 3.48Å; D302-E304 PolarHBondContact O-N 3.23Å; D302-E304 PolarHBondContact OD1-N 3.15Å; D302-V305 HydrophobicContact CB-CB 4.31Å; D302-V305 WeakPolarHBondContact O-CB 3.42Å; D302-V305 WeakPolarHBondContact O-CG1 3.4Å; D302-V305 PolarHBondContact O-N 3.32Å
303	Q	93.3	Very high	93.7	Very high	161 Å²	161	52.5 Å²	52.5	75%	0.752	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-26.2	-176.9	-69.4	-173.6	3.1	0	0	113	V305	Q303-V305 VanDerWaalsContact C-N 3.31Å
304	E	92.8	Very high	93.6	Very high	162 Å²	162	50.3 Å²	50.3	76%	0.757	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.8	-176.6	-59.8	-57.9	128.4	0	0	112.6	D302	D302-E304 PolarHBondContact O-N 3.23Å; D302-E304 PolarHBondContact OD1-N 3.15Å
305	V	92.4	Very high	93.5	Very high	29 Å²	29	50.3 Å²	50.3	18%	0.176	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-67.2	128.9	-178	78.2	0	0	0	0	111.2	R298 K299 D302 Q303	R298-V305 HydrophobicContact CB-CG1 3.92Å; K299-V305 HydrophobicContact CG-CG1 4.09Å; D302-V305 HydrophobicContact CB-CB 4.31Å; D302-V305 WeakPolarHBondContact O-CB 3.42Å; D302-V305 WeakPolarHBondContact O-CG1 3.4Å; D302-V305 PolarHBondContact O-N 3.32Å; Q303-V305 VanDerWaalsContact C-N 3.31Å
306	P	90.5	Very high	93.6	Very high	92 Å²	92	49.8 Å²	49.8	60%	0.597	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-68.6	145.3	178.4	27	-34.4	0	0	0	111.1	R298	R298-P306 PolarHBondContact NH1-O 2.67Å
307	N	91.1	Very high	93.6	Very high	91 Å²	91	46.6 Å²	46.6	49%	0.487	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-61.4	137.5	175.1	-71	1.7	0	0	0	110.8	D295 K299	D295-N307 WeakPolarHBondContact OD2-CA 3.37Å; D295-N307 WeakPolarHBondContact OD2-CB 3.48Å; K299-N307 WeakPolarHBondContact CE-OD1 3.26Å; K299-N307 PolarHBondContact NZ-OD1 2.87Å
308	I	90.9	Very high	93.6	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	24%	0.237	C	C	.	.			trans	-108.8	-20.9	172.9	62	177.7	0	0	0	112.2	T294 D295 V405 T406 P408 A433	T294-I308 HydrophobicContact CG2-CD1 4.21Å; T294-I308 HydrophobicContact CG2-CG1 4.48Å; D295-I308 PolarHBondContact OD1-N 3.13Å; D295-I308 VanDerWaalsContact OD1-N 3.09Å; D295-I308 PolarHBondContact OD2-N 3.27Å; D295-I308 VanDerWaalsContact OD2-N 3.11Å; I308-V405 HydrophobicContact CB-CG1 4.34Å; I308-V405 WeakPolarHBondContact O-CA 3.46Å; I308-T406 PolarHBondContact O-N 3.09Å; I308-P408 HydrophobicContact CG2-CB 4.2Å; I308-P408 HydrophobicContact CG2-CG 4.09Å; I308-A433 HydrophobicContact CD1-CB 3.7Å; I308-A433 HydrophobicContact CG1-CB 4.38Å
309	C	90.4	Very high	93.5	Very high	8 Å²	8	45 Å²	45	5%	0.054	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	129.6	-178.1	-169.4	0	0	0	0	110.8	D295 P311 L404	D295-C309 VanDerWaalsContact OD2-CB 3.26Å; D295-C309 WeakPolarHBondContact OD2-CB 3.33Å; D295-C309 PolarHBondContact OD2-N 3.21Å; C309-P311 VanDerWaalsContact O-CD 3.26Å; C309-P311 WeakPolarHBondContact O-CD 3.46Å; C309-L404 CarbonylContact C-O 3.58Å; C309-L404 WeakPolarHBondContact CA-O 3.12Å
310	Q	90.1	Very high	93.2	Very high	94 Å²	94	41.4 Å²	41.4	44%	0.439	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	84.4	172.9	-64.5	-66	-15.1	0	0	108.2	L404	Q310-L404 HydrophobicContact CB-CB 4.31Å; Q310-L404 PolarHBondContact N-O 2.82Å; Q310-L404 VanDerWaalsContact O-CB 3.24Å; Q310-L404 WeakPolarHBondContact O-CB 3.38Å; Q310-L404 PolarHBondContact O-N 3.07Å
311	P	91.9	Very high	92.9	Very high	25 Å²	25	38.8 Å²	38.8	16%	0.162	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	135.5	-178.6	24.4	-35.9	0	0	0	113.2	C309 T359 V361 I401 R402	C309-P311 VanDerWaalsContact O-CD 3.26Å; C309-P311 WeakPolarHBondContact O-CD 3.46Å; P311-T359 HydrophobicContact CB-CG2 4.2Å; P311-T359 WeakPolarHBondContact CB-O 3.49Å; P311-T359 WeakPolarHBondContact CG-O 3.31Å; P311-T359 PolarHBondContact O-N 3.24Å; P311-V361 HydrophobicContact CB-CG2 3.9Å; P311-V361 HydrophobicContact CG-CG2 3.83Å; P311-I401 HydrophobicContact CB-CG2 3.64Å; P311-R402 WeakPolarHBondContact CA-O 3.15Å
312	S	91.8	Very high	92.5	Very high	8 Å²	8	43.1 Å²	43.1	6%	0.056	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130	170.9	-175.1	0	0	0	0	111.2	D356 S357 I401 R402	S312-D356 WeakPolarHBondContact CB-OD1 3.42Å; S312-D356 PolarHBondContact OG-OD1 3.25Å; S312-S357 CarbonylContact C-O 3.58Å; S312-S357 WeakPolarHBondContact CA-O 3.37Å; S312-S357 PolarHBondContact OG-N 3.22Å; S312-S357 PolarHBondContact OG-O 3.42Å; S312-I401 CarbonylContact O-C 3.57Å; S312-I401 WeakPolarHBondContact O-CA 3.15Å; S312-R402 PolarHBondContact N-O 2.86Å; S312-R402 VanDerWaalsContact N-O 3.15Å; S312-R402 PolarHBondContact O-N 2.81Å
313	A	92.3	Very high	92.3	Very high	12 Å²	12	39.3 Å²	39.3	10%	0.099	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	142.1	174.6	0	0	0	0	0	110.9	D356 S357 T359 G400 R402	A313-D356 WeakPolarHBondContact O-CA 3.5Å; A313-S357 PolarHBondContact N-O 2.9Å; A313-S357 PolarHBondContact O-N 2.97Å; A313-T359 HydrophobicContact CB-CG2 3.81Å; A313-G400 CarbonylContact C-O 3.6Å; A313-G400 WeakPolarHBondContact CA-O 3.36Å; A313-R402 PolarHBondContact O-NH1 2.7Å
314	G	93	Very high	92	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	125.6	170	0	0	0	0	0	111.4	T355 S399 G400 R402	G314-T355 VanDerWaalsContact CA-O 3.25Å; G314-T355 WeakPolarHBondContact CA-O 3.27Å; G314-S399 WeakPolarHBondContact O-CA 3.38Å; G314-G400 PolarHBondContact N-O 2.61Å; G314-G400 PolarHBondContact O-N 3.02Å; G314-R402 VanDerWaalsContact CA-NH1 3.3Å
315	V	95.4	Very high	91.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	147.3	179.8	178.3	0	0	0	0	110.8	T354 T355 P367 D371 I375 W398	V315-T354 PolarHBondContact N-OG1 3Å; V315-T354 VanDerWaalsContact O-CA 3.24Å; V315-T354 WeakPolarHBondContact O-CA 2.99Å; V315-T354 WeakPolarHBondContact O-CB 3.44Å; V315-T354 PolarHBondContact O-OG1 3.12Å; V315-T355 WeakPolarHBondContact CB-OG1 3.49Å; V315-T355 PolarHBondContact N-OG1 3.16Å; V315-T355 PolarHBondContact O-N 3.04Å; V315-P367 HydrophobicContact CG1-CB 3.79Å; V315-P367 HydrophobicContact CG2-CB 4.11Å; V315-D371 HydrophobicContact CB-CB 3.79Å; V315-D371 HydrophobicContact CG1-CB 4.01Å; V315-D371 HydrophobicContact CG2-CB 3.69Å; V315-D371 WeakPolarHBondContact CG2-OD2 3.42Å; V315-I375 HydrophobicContact CB-CD1 4.46Å; V315-I375 HydrophobicContact CG1-CD1 4.17Å; V315-W398 VanDerWaalsContact CA-O 3.29Å; V315-W398 WeakPolarHBondContact CA-O 3.15Å
316	H	97	Very high	91.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.6	167.4	-63.2	79.3	0	0	0	109.3	T112 I351 A352 T354 A397 W398	T112-H316 WeakPolarHBondContact CA-NE2 3.4Å; T112-H316 PolarHBondContact OG1-NE2 2.84Å; H316-I351 HydrophobicContact CB-CG2 4.35Å; H316-A352 WeakPolarHBondContact CA-O 3.38Å; H316-T354 PolarHBondContact CE1-OG1 3.3Å; H316-T354 VanDerWaalsContact CE1-OG1 3.29Å; H316-A397 CarbonylContact O-C 3.54Å; H316-A397 VanDerWaalsContact O-CA 3.27Å; H316-A397 WeakPolarHBondContact O-CA 3.47Å; H316-W398 HydrophobicContact CB-CD2 3.97Å; H316-W398 HydrophobicContact CB-CE3 4.06Å; H316-W398 HydrophobicContact CB-CH2 3.47Å; H316-W398 VanDerWaalsContact CB-CH2 3.47Å; H316-W398 HydrophobicContact CB-CZ2 3.35Å; H316-W398 HydrophobicContact CB-CZ3 3.78Å; H316-W398 AromaticContact CG-CE2 3.92Å; H316-W398 AromaticContact CG-CZ2 3.63Å; H316-W398 PolarHBondContact N-O 3.19Å; H316-W398 AromaticContact ND1-CE2 3.97Å; H316-W398 AromaticContact ND1-NE1 3.7Å; H316-W398 PolarHBondContact O-N 3.11Å
317	I	96.4	Very high	90.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	152.2	171.5	65.8	177.4	0	0	0	109.9	M319 I351 A352 I372 I375 L376 V394 A396 A397	I317-M319 HydrophobicContact CD1-CG 4.08Å; I317-M319 HydrophobicContact CD1-SD 3.89Å; I317-M319 HydrophobicContact CG1-CG 4.31Å; I317-I351 WeakPolarHBondContact O-CA 3.38Å; I317-A352 HydrophobicContact CD1-CB 4.25Å; I317-A352 HydrophobicContact CG1-CB 3.84Å; I317-A352 PolarHBondContact N-O 3.33Å; I317-A352 PolarHBondContact O-N 2.66Å; I317-I372 HydrophobicContact CG2-CB 4.39Å; I317-I372 HydrophobicContact CG2-CG1 4Å; I317-I372 HydrophobicContact CG2-CG2 4.11Å; I317-I375 HydrophobicContact CD1-CB 4.12Å; I317-I375 HydrophobicContact CD1-CG2 3.57Å; I317-I375 HydrophobicContact CG1-CG2 3.81Å; I317-I375 HydrophobicContact CG2-CD1 4.16Å; I317-L376 HydrophobicContact CD1-CD2 3.79Å; I317-L376 HydrophobicContact CD1-CG 4.07Å; I317-V394 HydrophobicContact CB-CG1 4.04Å; I317-V394 HydrophobicContact CB-CG2 4.49Å; I317-V394 HydrophobicContact CD1-CG2 4.13Å; I317-V394 HydrophobicContact CG2-CG1 4.15Å; I317-A396 CarbonylContact C-O 3.59Å; I317-A396 WeakPolarHBondContact CA-O 3.39Å; I317-A397 HydrophobicContact CG2-CB 4.04Å
318	V	96.6	Very high	90.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.1	165.5	-179.3	0	0	0	0	109.5	M349 T350 I351 V394 L395 A396 W398 F560	V318-M349 HydrophobicContact CG1-CB 3.49Å; V318-M349 VanDerWaalsContact CG1-CB 3.49Å; V318-M349 HydrophobicContact CG1-CG 4.1Å; V318-T350 CarbonylContact C-O 3.48Å; V318-T350 WeakPolarHBondContact CA-O 3.15Å; V318-I351 HydrophobicContact CG2-CG1 4.24Å; V318-V394 CarbonylContact O-C 3.55Å; V318-V394 WeakPolarHBondContact O-CA 3.45Å; V318-L395 HydrophobicContact CG1-CB 4.5Å; V318-L395 PolarHBondContact O-N 3.35Å; V318-A396 HydrophobicContact CB-CB 4.33Å; V318-A396 HydrophobicContact CG2-CB 4.48Å; V318-A396 PolarHBondContact N-O 2.84Å; V318-W398 HydrophobicContact CG2-CE3 4.45Å; V318-W398 HydrophobicContact CG2-CH2 4.2Å; V318-W398 HydrophobicContact CG2-CZ3 3.49Å; V318-W398 VanDerWaalsContact CG2-CZ3 3.49Å; V318-F560 WeakPolarHBondContact CG2-O 3.4Å
319	M	93.6	Very high	90.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	163.9	176.1	-56.8	-176.9	-57.6	0	0	109.8	I317 Y323 T350 A352 L376 V379 D393	I317-M319 HydrophobicContact CD1-CG 4.08Å; I317-M319 HydrophobicContact CD1-SD 3.89Å; I317-M319 HydrophobicContact CG1-CG 4.31Å; M319-Y323 HydrophobicContact CB-CD2 3.65Å; M319-Y323 HydrophobicContact CB-CE2 4.24Å; M319-Y323 HydrophobicContact CB-CG 4.34Å; M319-Y323 HydrophobicContact CE-CD1 4.48Å; M319-Y323 HydrophobicContact CE-CD2 4.3Å; M319-Y323 HydrophobicContact CE-CG 3.98Å; M319-Y323 HydrophobicContact SD-CD2 4.35Å; M319-T350 HydrophobicContact CE-CG2 4.27Å; M319-T350 PolarHBondContact N-O 3.31Å; M319-T350 PolarHBondContact O-N 2.93Å; M319-A352 HydrophobicContact CE-CB 3.92Å; M319-L376 HydrophobicContact SD-CD2 4.1Å; M319-V379 HydrophobicContact CE-CG1 4.01Å; M319-V379 HydrophobicContact CE-CG2 4.11Å; M319-V379 HydrophobicContact SD-CG1 4.36Å; M319-D393 WeakPolarHBondContact CA-O 3.46Å
320	P	92	Very high	90.9	Very high	8 Å²	8	28.6 Å²	28.6	5%	0.052	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.2	142	172.8	-31.6	34.8	0	0	0	112.8	Y322 Y323 T350 D393 L395	P320-Y322 HydrophobicContact CB-CD1 3.6Å; P320-Y322 HydrophobicContact CB-CE1 3.21Å; P320-Y322 HydrophobicContact CB-CE2 4.19Å; P320-Y322 HydrophobicContact CB-CG 4.24Å; P320-Y322 HydrophobicContact CG-CE1 3.86Å; P320-Y322 PolarHBondContact O-N 2.97Å; P320-Y323 HydrophobicContact CB-CD2 4.37Å; P320-Y323 WeakPolarHBondContact O-CD2 3.45Å; P320-Y323 PolarHBondContact O-N 3.27Å; P320-T350 PolarHBondContact O-OG1 3.5Å; P320-D393 WeakPolarHBondContact CD-O 3.46Å; P320-L395 HydrophobicContact CG-CD1 4.35Å; P320-L395 HydrophobicContact CG-CD2 4.44Å
321	G	90.3	Very high	90.8	Very high	14 Å²	14	25.1 Å²	25.1	14%	0.144	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-56.8	-23.5	-175	0	0	0	0	0	114.9	Y323 S324 K348 T350	G321-Y323 PolarHBondContact O-N 3.49Å; G321-Y323 VanDerWaalsContact O-N 3.09Å; G321-S324 PolarHBondContact O-N 2.95Å; G321-K348 VanDerWaalsContact CA-O 3.29Å; G321-K348 WeakPolarHBondContact CA-O 3.34Å; G321-T350 PolarHBondContact O-OG1 3.25Å
322	Y	86.8	Confident	90.4	Very high	110 Å²	110	23.9 Å²	23.9	43%	0.431	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-65.4	-9.5	176.3	61.8	-110.5	0	0	0	113.5	M206 P320 S324	M206-Y322 WeakPolarHBondContact CE-O 3.28Å; P320-Y322 HydrophobicContact CB-CD1 3.6Å; P320-Y322 HydrophobicContact CB-CE1 3.21Å; P320-Y322 HydrophobicContact CB-CE2 4.19Å; P320-Y322 HydrophobicContact CB-CG 4.24Å; P320-Y322 HydrophobicContact CG-CE1 3.86Å; P320-Y322 PolarHBondContact O-N 2.97Å; Y322-S324 VanDerWaalsContact C-N 3.26Å; Y322-S324 PolarHBondContact O-N 2.93Å
323	Y	89.1	Confident	89.4	Confident	4 Å²	4	25.4 Å²	25.4	2%	0.016	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-78.2	-7.1	175.1	-80.5	-68.9	0	0	0	114.3	F204 M319 P320 G321 L383 V387 E388 V389 D393	F204-Y323 WeakPolarHBondContact CZ-O 3.23Å; M319-Y323 HydrophobicContact CB-CD2 3.65Å; M319-Y323 HydrophobicContact CB-CE2 4.24Å; M319-Y323 HydrophobicContact CB-CG 4.34Å; M319-Y323 HydrophobicContact CE-CD1 4.48Å; M319-Y323 HydrophobicContact CE-CD2 4.3Å; M319-Y323 HydrophobicContact CE-CG 3.98Å; M319-Y323 HydrophobicContact SD-CD2 4.35Å; P320-Y323 HydrophobicContact CB-CD2 4.37Å; P320-Y323 WeakPolarHBondContact O-CD2 3.45Å; P320-Y323 PolarHBondContact O-N 3.27Å; G321-Y323 PolarHBondContact O-N 3.49Å; G321-Y323 VanDerWaalsContact O-N 3.09Å; Y323-L383 HydrophobicContact CD1-CD1 3.59Å; Y323-L383 HydrophobicContact CE1-CD1 3.73Å; Y323-V387 HydrophobicContact CE1-CG1 3.97Å; Y323-E388 PolarHBondContact OH-O 3.3Å; Y323-V389 HydrophobicContact CE1-CG2 4.08Å; Y323-D393 HydrophobicContact CE2-CB 3.9Å; Y323-D393 PolarHBondContact OH-OD2 2.76Å
324	S	87.8	Confident	88.6	Confident	4 Å²	4	27.6 Å²	27.6	3%	0.028	15%	0.15	C	C	.	.	S	Bend	trans	-141.5	150.7	173.4	58	0	0	0	0	110.9	G321 Y322 T350	G321-S324 PolarHBondContact O-N 2.95Å; Y322-S324 VanDerWaalsContact C-N 3.26Å; Y322-S324 PolarHBondContact O-N 2.93Å; S324-T350 PolarHBondContact N-OG1 3.33Å; S324-T350 PolarHBondContact OG-OG1 3.41Å
325	P	85.4	Confident	87.6	Confident	22 Å²	22	28 Å²	28	14%	0.143	15%	0.152	C	C	.	.			trans	-59.5	140.5	169	-18.4	29.6	0	0	0	111.7	Y203 F204 H327 M328 P345	Y203-P325 WeakPolarHBondContact O-CG 3.21Å; F204-P325 HydrophobicContact CB-CG 3.99Å; F204-P325 HydrophobicContact CD1-CG 4.2Å; F204-P325 HydrophobicContact CD2-CG 4.39Å; F204-P325 HydrophobicContact CG-CG 3.98Å; P325-H327 PolarHBondContact O-N 3.06Å; P325-M328 HydrophobicContact CB-CB 4.11Å; P325-M328 WeakPolarHBondContact CD-O 3.15Å; P325-M328 HydrophobicContact CG-CB 4.45Å; P325-M328 PolarHBondContact O-N 3.43Å; P325-P345 WeakPolarHBondContact O-CB 3.39Å; P325-P345 WeakPolarHBondContact O-CG 3.21Å
326	D	79.9	Confident	86.3	Confident	126 Å²	126	32.4 Å²	32.4	67%	0.674	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	-30.7	-172.5	-66.7	-23.3	0	0	0	115.2	P345	D326-P345 WeakPolarHBondContact O-CB 3.47Å
327	H	85.8	Confident	85.1	Confident	156 Å²	156	36 Å²	36	72%	0.722	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.1	17.5	-173.6	-57.6	-43.2	0	0	0	113.2	P159 P325	P159-H327 VanDerWaalsContact CD-O 3.26Å; P159-H327 WeakPolarHBondContact CD-O 3.4Å; P159-H327 WeakPolarHBondContact CG-O 3.49Å; P325-H327 PolarHBondContact O-N 3.06Å
328	M	91.8	Very high	83.6	Confident	12 Å²	12	37.9 Å²	37.9	6%	0.059	22%	0.222	C	C	.	.			trans	-144	125.8	-179.5	-170.1	176.7	-62.3	0	0	111.6	P159 M161 Y203 V217 P325	P159-M328 HydrophobicContact CB-CE 4.3Å; P159-M328 HydrophobicContact CB-CG 4.19Å; P159-M328 HydrophobicContact CG-CB 4.18Å; P159-M328 HydrophobicContact CG-CE 4.34Å; P159-M328 HydrophobicContact CG-CG 4.15Å; P159-M328 CarbonylContact O-C 3.54Å; P159-M328 WeakPolarHBondContact O-CA 3.35Å; P159-M328 WeakPolarHBondContact O-CG 3.42Å; M161-M328 HydrophobicContact CB-CG 4.25Å; M161-M328 HydrophobicContact CB-SD 3.84Å; M161-M328 HydrophobicContact CE-SD 3.38Å; M161-M328 WeakPolarHBondContact CE-SD 3.47Å; Y203-M328 HydrophobicContact CD1-CE 4.31Å; Y203-M328 HydrophobicContact CG-CE 4.49Å; V217-M328 HydrophobicContact CG2-SD 4.26Å; P325-M328 HydrophobicContact CB-CB 4.11Å; P325-M328 WeakPolarHBondContact CD-O 3.15Å; P325-M328 HydrophobicContact CG-CB 4.45Å; P325-M328 PolarHBondContact O-N 3.43Å
329	G	92.1	Very high	82.6	Confident	2 Å²	2	40.9 Å²	40.9	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	161.3	172.3	0	0	0	0	0	112.5	P159 I160 M161 F343	P159-G329 PolarHBondContact O-N 3.32Å; I160-G329 CarbonylContact C-O 3.5Å; I160-G329 WeakPolarHBondContact CA-O 3.25Å; M161-G329 PolarHBondContact N-O 3.18Å; G329-F343 CarbonylContact C-O 3.44Å; G329-F343 WeakPolarHBondContact CA-O 3.49Å
330	L	90.4	Very high	82	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.7	167.1	-167.7	84.1	0	0	0	109.5	M161 P163 F204 L207 F342 F343 Y382	M161-L330 HydrophobicContact CB-CD1 4.36Å; M161-L330 WeakPolarHBondContact O-CA 3.4Å; P163-L330 HydrophobicContact CG-CD1 3.96Å; F204-L330 HydrophobicContact CD1-CD1 3.9Å; F204-L330 HydrophobicContact CE1-CB 4.14Å; F204-L330 HydrophobicContact CE1-CD1 3.88Å; F204-L330 HydrophobicContact CE1-CD2 3.98Å; F204-L330 HydrophobicContact CE1-CG 4.21Å; L207-L330 HydrophobicContact CD1-CD1 4.23Å; L330-F342 WeakPolarHBondContact O-CA 3.3Å; L330-F343 HydrophobicContact CB-CB 3.92Å; L330-F343 HydrophobicContact CB-CD2 3.98Å; L330-F343 HydrophobicContact CB-CG 4.17Å; L330-F343 HydrophobicContact CD2-CD2 3.78Å; L330-F343 HydrophobicContact CD2-CE2 3.97Å; L330-F343 HydrophobicContact CD2-CG 4.23Å; L330-F343 HydrophobicContact CD2-CZ 4.48Å; L330-F343 HydrophobicContact CG-CD2 4.32Å; L330-F343 PolarHBondContact N-O 2.96Å; L330-F343 PolarHBondContact O-N 2.97Å; L330-Y382 HydrophobicContact CD2-CD1 4.44Å
331	L	88.3	Confident	81.7	Confident	20 Å²	20	42 Å²	42	11%	0.105	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.1	170.7	177.7	59.3	0	0	0	110.5	I160 M161 L162 P163 Y218 P333 V340 F342	I160-L331 HydrophobicContact CG2-CB 3.69Å; M161-L331 PolarHBondContact O-N 2.97Å; L162-L331 HydrophobicContact CD1-CB 4.34Å; L162-L331 HydrophobicContact CD1-CD2 4.16Å; L162-L331 HydrophobicContact CD1-CG 4.14Å; P163-L331 WeakPolarHBondContact CD-O 3.3Å; Y218-L331 HydrophobicContact CE1-CD2 4.02Å; L331-P333 WeakPolarHBondContact O-CD 3.49Å; L331-V340 HydrophobicContact CD1-CG1 3.21Å; L331-V340 HydrophobicContact CG-CG1 4.46Å; L331-F342 HydrophobicContact CD1-CD1 3.81Å; L331-F342 HydrophobicContact CD1-CE1 3.44Å; L331-F342 VanDerWaalsContact CD1-CE1 3.44Å; L331-F342 HydrophobicContact CD1-CE2 4.21Å; L331-F342 HydrophobicContact CD1-CG 4.36Å; L331-F342 HydrophobicContact CD1-CZ 3.64Å; L331-F342 HydrophobicContact CG-CE1 4.46Å
332	D	81.8	Confident	81.7	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	110.9	159.8	173.8	7.5	0	0	0	109.4	A334 T335 V340 I341 F343 Y382	D332-A334 VanDerWaalsContact C-N 3.34Å; D332-A334 VanDerWaalsContact OD1-C 3.22Å; D332-A334 PolarHBondContact OD1-N 3.31Å; D332-T335 VanDerWaalsContact OD2-CG2 3.31Å; D332-T335 WeakPolarHBondContact OD2-CG2 3.38Å; D332-V340 VanDerWaalsContact O-CA 3.3Å; D332-V340 WeakPolarHBondContact O-CA 3.35Å; D332-V340 WeakPolarHBondContact O-CG1 3.16Å; D332-I341 HydrophobicContact CB-CB 4.4Å; D332-I341 PolarHBondContact N-O 2.87Å; D332-I341 PolarHBondContact O-N 3.04Å; D332-F343 HydrophobicContact CB-CE2 4.25Å; D332-Y382 HydrophobicContact CB-CD2 4.27Å; D332-Y382 HydrophobicContact CB-CE1 4.35Å; D332-Y382 HydrophobicContact CB-CE2 3.75Å; D332-Y382 PolarHBondContact OD1-OH 3.03Å; D332-Y382 WeakPolarHBondContact OD2-CE2 3.31Å
333	P	72.8	Confident	81.9	Confident	40 Å²	40	37.4 Å²	37.4	26%	0.26	22%	0.219	S	C	.	.	S	Bend	trans	-79.3	-11.9	-177.8	36.1	-39.1	0	0	0	114.2	L162 L331	L162-P333 HydrophobicContact CD1-CB 3.91Å; L162-P333 HydrophobicContact CD1-CG 3.68Å; L331-P333 WeakPolarHBondContact O-CD 3.49Å
334	A	74	Confident	82.1	Confident	57 Å²	57	37.2 Å²	37.2	47%	0.471	22%	0.218	S	C	.	.			trans	-157.9	92.8	-174.8	0	0	0	0	0	111.6	D332 R339	D332-A334 VanDerWaalsContact C-N 3.34Å; D332-A334 VanDerWaalsContact OD1-C 3.22Å; D332-A334 PolarHBondContact OD1-N 3.31Å; A334-R339 WeakPolarHBondContact CA-O 3.5Å
335	T	71.6	Confident	82.5	Confident	10 Å²	10	37.5 Å²	37.5	6%	0.061	22%	0.22	C	C	.	.			trans	-68.2	173.9	168.7	51.8	0	0	0	0	111.7	D332 D337 G338 R339 I341 E378	D332-T335 VanDerWaalsContact OD2-CG2 3.31Å; D332-T335 WeakPolarHBondContact OD2-CG2 3.38Å; T335-D337 PolarHBondContact O-N 3.42Å; T335-D337 PolarHBondContact OG1-OD1 3.39Å; T335-G338 PolarHBondContact O-N 2.81Å; T335-R339 PolarHBondContact N-O 3.31Å; T335-R339 VanDerWaalsContact OG1-CA 3.26Å; T335-R339 WeakPolarHBondContact OG1-CA 3.39Å; T335-R339 WeakPolarHBondContact OG1-CB 3.14Å; T335-R339 PolarHBondContact OG1-N 3.15Å; T335-R339 PolarHBondContact OG1-O 3.05Å; T335-R339 VanDerWaalsContact OG1-O 3.09Å; T335-I341 HydrophobicContact CG2-CB 4.04Å; T335-I341 HydrophobicContact CG2-CD1 3.55Å; T335-I341 HydrophobicContact CG2-CG1 3.63Å; T335-E378 VanDerWaalsContact CA-OE2 3.25Å; T335-E378 WeakPolarHBondContact CA-OE2 3.4Å; T335-E378 WeakPolarHBondContact CB-OE2 3.24Å; T335-E378 HydrophobicContact CG2-CB 4.47Å; T335-E378 HydrophobicContact CG2-CG 4.08Å
336	S	69.4	Low	82.9	Confident	93 Å²	93	36.9 Å²	36.9	65%	0.65	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-25.8	177.1	57.7	0	0	0	0	115.1	E378	S336-E378 WeakPolarHBondContact CB-OE1 3.34Å; S336-E378 PolarHBondContact N-OE2 2.91Å; S336-E378 VanDerWaalsContact N-OE2 3.1Å; S336-E378 PolarHBondContact OG-OE1 3.32Å
337	D	71	Confident	83.5	Confident	76 Å²	76	33.7 Å²	33.7	41%	0.406	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	8.6	178.5	62.8	8.9	0	0	0	114.6	T335 R339 F374	T335-D337 PolarHBondContact O-N 3.42Å; T335-D337 PolarHBondContact OG1-OD1 3.39Å; D337-R339 VanDerWaalsContact C-N 3.35Å; D337-R339 VanDerWaalsContact OD1-CB 3.32Å; D337-R339 WeakPolarHBondContact OD1-CB 3.46Å; D337-R339 WeakPolarHBondContact OD1-CG 3.02Å; D337-R339 PolarHBondContact OD1-N 3.24Å; D337-R339 VanDerWaalsContact OD1-N 3.11Å; D337-R339 IonicContact OD1-NE 3.94Å; D337-R339 PolarHBondContact OD1-NE 3.39Å; D337-R339 IonicContact OD2-CZ 3.82Å; D337-R339 IonicContact OD2-NE 3.56Å; D337-R339 PolarHBondContact OD2-NE 3.03Å; D337-R339 IonicContact OD2-NH2 2.76Å; D337-R339 PolarHBondContact OD2-NH2 3.16Å; D337-F374 WeakPolarHBondContact OD2-CZ 3.1Å
338	G	65.8	Low	83.7	Confident	41 Å²	41	32.7 Å²	32.7	42%	0.423	19%	0.189	S	C	.	.	S	Bend	trans	78.9	11.9	178.2	0	0	0	0	0	115.4	T335	T335-G338 PolarHBondContact O-N 2.81Å
339	R	75.6	Confident	83.8	Confident	62 Å²	62	33 Å²	33	23%	0.234	19%	0.191	C	C	.	.			trans	-78.7	-177.5	165.5	-64.7	-172.6	-74.6	-168.6	-1	110.9	A334 T335 D337 D356 F374	A334-R339 WeakPolarHBondContact CA-O 3.5Å; T335-R339 PolarHBondContact N-O 3.31Å; T335-R339 VanDerWaalsContact OG1-CA 3.26Å; T335-R339 WeakPolarHBondContact OG1-CA 3.39Å; T335-R339 WeakPolarHBondContact OG1-CB 3.14Å; T335-R339 PolarHBondContact OG1-N 3.15Å; T335-R339 PolarHBondContact OG1-O 3.05Å; T335-R339 VanDerWaalsContact OG1-O 3.09Å; D337-R339 VanDerWaalsContact C-N 3.35Å; D337-R339 VanDerWaalsContact OD1-CB 3.32Å; D337-R339 WeakPolarHBondContact OD1-CB 3.46Å; D337-R339 WeakPolarHBondContact OD1-CG 3.02Å; D337-R339 PolarHBondContact OD1-N 3.24Å; D337-R339 VanDerWaalsContact OD1-N 3.11Å; D337-R339 IonicContact OD1-NE 3.94Å; D337-R339 PolarHBondContact OD1-NE 3.39Å; D337-R339 IonicContact OD2-CZ 3.82Å; D337-R339 IonicContact OD2-NE 3.56Å; D337-R339 PolarHBondContact OD2-NE 3.03Å; D337-R339 IonicContact OD2-NH2 2.76Å; D337-R339 PolarHBondContact OD2-NH2 3.16Å; R339-D356 PolarHBondContact NH1-O 3.45Å; R339-F374 VanDerWaalsContact NH2-CE1 3.35Å
340	V	80.1	Confident	84	Confident	31 Å²	31	33 Å²	33	19%	0.188	19%	0.19	C	C	.	.			trans	-125.4	129.1	-176.1	172.1	0	0	0	0	106.9	L331 D332 F342	L331-V340 HydrophobicContact CD1-CG1 3.21Å; L331-V340 HydrophobicContact CG-CG1 4.46Å; D332-V340 VanDerWaalsContact O-CA 3.3Å; D332-V340 WeakPolarHBondContact O-CA 3.35Å; D332-V340 WeakPolarHBondContact O-CG1 3.16Å; V340-F342 HydrophobicContact CG1-CD2 4.27Å; V340-F342 HydrophobicContact CG1-CE2 3.72Å; V340-F342 HydrophobicContact CG1-CZ 4.04Å
341	I	86.5	Confident	84.2	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.3	173.6	-75.3	174	0	0	0	109.6	D332 T335 F343 G353 F374 E378	D332-I341 HydrophobicContact CB-CB 4.4Å; D332-I341 PolarHBondContact N-O 2.87Å; D332-I341 PolarHBondContact O-N 3.04Å; T335-I341 HydrophobicContact CG2-CB 4.04Å; T335-I341 HydrophobicContact CG2-CD1 3.55Å; T335-I341 HydrophobicContact CG2-CG1 3.63Å; I341-F343 HydrophobicContact CG2-CD2 4.22Å; I341-F343 HydrophobicContact CG2-CE2 3.72Å; I341-F343 HydrophobicContact CG2-CZ 4.13Å; I341-G353 CarbonylContact C-O 3.58Å; I341-G353 WeakPolarHBondContact CA-O 3.38Å; I341-F374 HydrophobicContact CD1-CE1 4.11Å; I341-E378 HydrophobicContact CD1-CB 3.44Å; I341-E378 VanDerWaalsContact CD1-CB 3.44Å; I341-E378 HydrophobicContact CD1-CG 3.62Å
342	F	90.2	Very high	84.5	Confident	29 Å²	29	32 Å²	32	13%	0.127	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	145.4	173.1	-68	-89.9	0	0	0	110	T112 L114 H116 I160 L330 L331 V340 L344 A352 G353	T112-F342 HydrophobicContact CG2-CB 4.49Å; T112-F342 HydrophobicContact CG2-CD2 4.44Å; L114-F342 HydrophobicContact CD1-CD1 3.91Å; L114-F342 HydrophobicContact CD1-CE1 4.03Å; L114-F342 HydrophobicContact CD1-CG 4.2Å; L114-F342 HydrophobicContact CD1-CZ 4.46Å; H116-F342 AromaticContact CE1-CE1 3.51Å; H116-F342 AromaticContact CE1-CZ 3.58Å; H116-F342 AromaticContact NE2-CE1 3.56Å; H116-F342 AromaticContact NE2-CZ 3.22Å; H116-F342 WeakPolarHBondContact NE2-CZ 3.49Å; I160-F342 HydrophobicContact CD1-CE1 4.4Å; L330-F342 WeakPolarHBondContact O-CA 3.3Å; L331-F342 HydrophobicContact CD1-CD1 3.81Å; L331-F342 HydrophobicContact CD1-CE1 3.44Å; L331-F342 VanDerWaalsContact CD1-CE1 3.44Å; L331-F342 HydrophobicContact CD1-CE2 4.21Å; L331-F342 HydrophobicContact CD1-CG 4.36Å; L331-F342 HydrophobicContact CD1-CZ 3.64Å; L331-F342 HydrophobicContact CG-CE1 4.46Å; V340-F342 HydrophobicContact CG1-CD2 4.27Å; V340-F342 HydrophobicContact CG1-CE2 3.72Å; V340-F342 HydrophobicContact CG1-CZ 4.04Å; F342-L344 HydrophobicContact CB-CD1 3.94Å; F342-L344 HydrophobicContact CB-CD2 3.96Å; F342-L344 HydrophobicContact CB-CG 3.78Å; F342-L344 HydrophobicContact CD1-CD2 4.11Å; F342-L344 HydrophobicContact CG-CD2 4.44Å; F342-A352 WeakPolarHBondContact O-CA 3.32Å; F342-G353 PolarHBondContact N-O 3.4Å; F342-G353 PolarHBondContact O-N 3.34Å
343	F	90.9	Very high	85	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	109.9	168.8	-50.8	-120	0	0	0	105.4	G329 L330 D332 I341 T350 I351 V379	G329-F343 CarbonylContact C-O 3.44Å; G329-F343 WeakPolarHBondContact CA-O 3.49Å; L330-F343 HydrophobicContact CB-CB 3.92Å; L330-F343 HydrophobicContact CB-CD2 3.98Å; L330-F343 HydrophobicContact CB-CG 4.17Å; L330-F343 HydrophobicContact CD2-CD2 3.78Å; L330-F343 HydrophobicContact CD2-CE2 3.97Å; L330-F343 HydrophobicContact CD2-CG 4.23Å; L330-F343 HydrophobicContact CD2-CZ 4.48Å; L330-F343 HydrophobicContact CG-CD2 4.32Å; L330-F343 PolarHBondContact N-O 2.96Å; L330-F343 PolarHBondContact O-N 2.97Å; D332-F343 HydrophobicContact CB-CE2 4.25Å; I341-F343 HydrophobicContact CG2-CD2 4.22Å; I341-F343 HydrophobicContact CG2-CE2 3.72Å; I341-F343 HydrophobicContact CG2-CZ 4.13Å; F343-T350 HydrophobicContact CB-CG2 4.41Å; F343-I351 CarbonylContact C-O 3.33Å; F343-I351 VanDerWaalsContact CA-O 3.3Å; F343-I351 WeakPolarHBondContact CA-O 3.44Å; F343-V379 HydrophobicContact CD1-CG2 4.24Å; F343-V379 HydrophobicContact CE1-CB 3.83Å; F343-V379 HydrophobicContact CE1-CG1 3.88Å; F343-V379 HydrophobicContact CE1-CG2 3.48Å; F343-V379 VanDerWaalsContact CE1-CG2 3.48Å; F343-V379 HydrophobicContact CZ-CB 4.37Å; F343-V379 HydrophobicContact CZ-CG2 4.02Å
344	L	94.1	Very high	85.7	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.7	-167.4	-55.4	170.7	0	0	0	109.3	T112 L114 L158 F342 W346 T350 I351	T112-L344 HydrophobicContact CG2-CD1 3.62Å; T112-L344 WeakPolarHBondContact O-CD1 3.28Å; L114-L344 HydrophobicContact CD1-CD1 3.56Å; L114-L344 HydrophobicContact CD1-CD2 4.09Å; L114-L344 HydrophobicContact CD1-CG 4.47Å; L114-L344 HydrophobicContact CD2-CD1 3.89Å; L114-L344 HydrophobicContact CD2-CD2 4.2Å; L114-L344 HydrophobicContact CG-CD1 3.58Å; L158-L344 HydrophobicContact CD2-CD2 3.85Å; F342-L344 HydrophobicContact CB-CD1 3.94Å; F342-L344 HydrophobicContact CB-CD2 3.96Å; F342-L344 HydrophobicContact CB-CG 3.78Å; F342-L344 HydrophobicContact CD1-CD2 4.11Å; F342-L344 HydrophobicContact CG-CD2 4.44Å; L344-W346 PolarHBondContact O-N 3.48Å; L344-T350 CarbonylContact O-C 3.59Å; L344-T350 WeakPolarHBondContact O-CA 3.46Å; L344-I351 HydrophobicContact CB-CB 4.45Å; L344-I351 PolarHBondContact N-O 2.51Å; L344-I351 PolarHBondContact O-N 2.86Å
345	P	94.7	Very high	86.4	Confident	10 Å²	10	28.7 Å²	28.7	7%	0.065	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	127.8	166.5	28.8	-33.8	0	0	0	108.3	L158 Q222 P325 D326 M349	L158-P345 HydrophobicContact CD1-CG 3.96Å; Q222-P345 PolarHBondContact NE2-O 3.31Å; Q222-P345 PolarHBondContact OE1-O 3.41Å; P325-P345 WeakPolarHBondContact O-CB 3.39Å; P325-P345 WeakPolarHBondContact O-CG 3.21Å; D326-P345 WeakPolarHBondContact O-CB 3.47Å; P345-M349 CarbonylContact C-O 3.53Å; P345-M349 WeakPolarHBondContact CA-O 3.28Å
346	W	94.4	Very high	87.1	Confident	9 Å²	9	31.8 Å²	31.8	3%	0.034	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	122	178.5	-173.3	69.1	0	0	0	109.7	K113 L344 K348 M349 I351 R557 F560 L561	K113-W346 HydrophobicContact CD-CZ2 4.18Å; K113-W346 HydrophobicContact CG-CD2 4.24Å; K113-W346 HydrophobicContact CG-CG 4.44Å; K113-W346 HydrophobicContact CG-CZ2 4.28Å; L344-W346 PolarHBondContact O-N 3.48Å; W346-K348 PolarHBondContact O-N 2.89Å; W346-M349 PolarHBondContact N-O 3.24Å; W346-M349 PolarHBondContact O-N 3.12Å; W346-I351 HydrophobicContact CB-CD1 3.57Å; W346-I351 HydrophobicContact CB-CG1 3.92Å; W346-I351 HydrophobicContact CD2-CD1 3.61Å; W346-I351 HydrophobicContact CD2-CG1 4.47Å; W346-I351 HydrophobicContact CE3-CD1 3.6Å; W346-I351 HydrophobicContact CE3-CG1 4.14Å; W346-I351 HydrophobicContact CG-CD1 3.61Å; W346-I351 HydrophobicContact CG-CG1 4.42Å; W346-I351 HydrophobicContact CZ3-CD1 4.45Å; W346-R557 HydrophobicContact CH2-CB 3.89Å; W346-R557 HydrophobicContact CH2-CG 4.12Å; W346-R557 HydrophobicContact CZ2-CG 4.36Å; W346-F560 HydrophobicContact CH2-CB 4.27Å; W346-F560 HydrophobicContact CZ3-CB 4.05Å; W346-L561 HydrophobicContact CE3-CD2 3.43Å; W346-L561 VanDerWaalsContact CE3-CD2 3.43Å; W346-L561 HydrophobicContact CH2-CD2 4.32Å; W346-L561 HydrophobicContact CZ3-CD2 3.31Å; W346-L561 HydrophobicContact CZ3-CG 4.23Å
347	E	92	Very high	87.9	Confident	58 Å²	58	29.5 Å²	29.5	27%	0.271	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	45.3	-178	-54.2	-66.8	172.1	0	0	112.7	M349 L561	E347-M349 PolarHBondContact O-N 3.15Å; E347-L561 HydrophobicContact CB-CD1 3.69Å; E347-L561 HydrophobicContact CB-CD2 3.71Å; E347-L561 HydrophobicContact CB-CG 4.35Å; E347-L561 HydrophobicContact CG-CD1 4.41Å; E347-L561 HydrophobicContact CG-CD2 4.32Å
348	K	90.1	Very high	88.8	Confident	135 Å²	135	31.9 Å²	31.9	59%	0.587	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	8.7	-177.1	-53	-175	176.8	-170.6	0	116.4	G321 W346 E492	G321-K348 VanDerWaalsContact CA-O 3.29Å; G321-K348 WeakPolarHBondContact CA-O 3.34Å; W346-K348 PolarHBondContact O-N 2.89Å; K348-E492 VanDerWaalsContact NZ-CD 3.3Å; K348-E492 VanDerWaalsContact NZ-CG 3.34Å; K348-E492 IonicContact NZ-OE1 3.95Å; K348-E492 PolarHBondContact NZ-OE1 3.27Å
349	M	94.6	Very high	90.1	Very high	20 Å²	20	32.4 Å²	32.4	10%	0.099	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	177.9	171.8	-58.8	-57.9	-176.4	0	0	110.5	V318 P345 W346 E347 L395 F530 L561	V318-M349 HydrophobicContact CG1-CB 3.49Å; V318-M349 VanDerWaalsContact CG1-CB 3.49Å; V318-M349 HydrophobicContact CG1-CG 4.1Å; P345-M349 CarbonylContact C-O 3.53Å; P345-M349 WeakPolarHBondContact CA-O 3.28Å; W346-M349 PolarHBondContact N-O 3.24Å; W346-M349 PolarHBondContact O-N 3.12Å; E347-M349 PolarHBondContact O-N 3.15Å; M349-L395 HydrophobicContact CE-CD1 4.09Å; M349-L395 HydrophobicContact SD-CD1 3.82Å; M349-F530 HydrophobicContact CE-CE1 3.6Å; M349-F530 HydrophobicContact CE-CZ 3.54Å; M349-L561 HydrophobicContact CB-CD2 4.41Å; M349-L561 HydrophobicContact CG-CB 4.43Å; M349-L561 HydrophobicContact CG-CD2 4.24Å
350	T	94.9	Very high	90.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.1	176.5	-57.5	0	0	0	0	110.3	V318 M319 P320 G321 S324 F343 L344	V318-T350 CarbonylContact C-O 3.48Å; V318-T350 WeakPolarHBondContact CA-O 3.15Å; M319-T350 HydrophobicContact CE-CG2 4.27Å; M319-T350 PolarHBondContact N-O 3.31Å; M319-T350 PolarHBondContact O-N 2.93Å; P320-T350 PolarHBondContact O-OG1 3.5Å; G321-T350 PolarHBondContact O-OG1 3.25Å; S324-T350 PolarHBondContact N-OG1 3.33Å; S324-T350 PolarHBondContact OG-OG1 3.41Å; F343-T350 HydrophobicContact CB-CG2 4.41Å; L344-T350 CarbonylContact O-C 3.59Å; L344-T350 WeakPolarHBondContact O-CA 3.46Å
351	I	96.1	Very high	91.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	129.8	167.6	-63.5	174.2	0	0	0	108.9	K113 H316 I317 V318 F343 L344 W346 W398	K113-I351 HydrophobicContact CB-CD1 4.4Å; K113-I351 HydrophobicContact CG-CD1 3.67Å; H316-I351 HydrophobicContact CB-CG2 4.35Å; I317-I351 WeakPolarHBondContact O-CA 3.38Å; V318-I351 HydrophobicContact CG2-CG1 4.24Å; F343-I351 CarbonylContact C-O 3.33Å; F343-I351 VanDerWaalsContact CA-O 3.3Å; F343-I351 WeakPolarHBondContact CA-O 3.44Å; L344-I351 HydrophobicContact CB-CB 4.45Å; L344-I351 PolarHBondContact N-O 2.51Å; L344-I351 PolarHBondContact O-N 2.86Å; W346-I351 HydrophobicContact CB-CD1 3.57Å; W346-I351 HydrophobicContact CB-CG1 3.92Å; W346-I351 HydrophobicContact CD2-CD1 3.61Å; W346-I351 HydrophobicContact CD2-CG1 4.47Å; W346-I351 HydrophobicContact CE3-CD1 3.6Å; W346-I351 HydrophobicContact CE3-CG1 4.14Å; W346-I351 HydrophobicContact CG-CD1 3.61Å; W346-I351 HydrophobicContact CG-CG1 4.42Å; W346-I351 HydrophobicContact CZ3-CD1 4.45Å; I351-W398 HydrophobicContact CD1-CH2 4Å; I351-W398 HydrophobicContact CG1-CH2 4.03Å; I351-W398 HydrophobicContact CG2-CH2 3.84Å; I351-W398 HydrophobicContact CG2-CZ2 4.47Å
352	A	94.6	Very high	91.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.5	167.7	0	0	0	0	0	111.4	H316 I317 M319 F342 I375 V379	H316-A352 WeakPolarHBondContact CA-O 3.38Å; I317-A352 HydrophobicContact CD1-CB 4.25Å; I317-A352 HydrophobicContact CG1-CB 3.84Å; I317-A352 PolarHBondContact N-O 3.33Å; I317-A352 PolarHBondContact O-N 2.66Å; M319-A352 HydrophobicContact CE-CB 3.92Å; F342-A352 WeakPolarHBondContact O-CA 3.32Å; A352-I375 HydrophobicContact CB-CG2 3.77Å; A352-V379 HydrophobicContact CB-CG2 3.98Å
353	G	91.1	Very high	91.9	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.5	173.8	179.1	0	0	0	0	0	113.8	I341 F342	I341-G353 CarbonylContact C-O 3.58Å; I341-G353 WeakPolarHBondContact CA-O 3.38Å; F342-G353 PolarHBondContact N-O 3.4Å; F342-G353 PolarHBondContact O-N 3.34Å
354	T	89.1	Confident	92	Very high	26 Å²	26	46.1 Å²	46.1	16%	0.16	26%	0.256	C	S	.	.			cis	-137.3	161.6	15.7	-172.4	0	0	0	0	112.8	V315 H316 R402	V315-T354 PolarHBondContact N-OG1 3Å; V315-T354 VanDerWaalsContact O-CA 3.24Å; V315-T354 WeakPolarHBondContact O-CA 2.99Å; V315-T354 WeakPolarHBondContact O-CB 3.44Å; V315-T354 PolarHBondContact O-OG1 3.12Å; H316-T354 PolarHBondContact CE1-OG1 3.3Å; H316-T354 VanDerWaalsContact CE1-OG1 3.29Å; T354-R402 PolarHBondContact OG1-NH2 3.01Å
355	T	88.4	Confident	91.9	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	26%	0.26	C	S	.	.			trans	-84.8	170.6	167.6	68.5	0	0	0	0	111.9	G314 V315 D371 F374 I375 R402	G314-T355 VanDerWaalsContact CA-O 3.25Å; G314-T355 WeakPolarHBondContact CA-O 3.27Å; V315-T355 WeakPolarHBondContact CB-OG1 3.49Å; V315-T355 PolarHBondContact N-OG1 3.16Å; V315-T355 PolarHBondContact O-N 3.04Å; T355-D371 WeakPolarHBondContact CB-OD1 3.41Å; T355-D371 HydrophobicContact CG2-CB 3.94Å; T355-D371 VanDerWaalsContact CG2-OD1 3.31Å; T355-D371 WeakPolarHBondContact CG2-OD1 3.39Å; T355-D371 PolarHBondContact OG1-OD1 2.97Å; T355-F374 HydrophobicContact CG2-CD1 3.81Å; T355-F374 HydrophobicContact CG2-CE1 4.37Å; T355-I375 HydrophobicContact CG2-CD1 4.14Å; T355-I375 HydrophobicContact CG2-CG1 4.02Å; T355-R402 PolarHBondContact O-NH1 3.02Å; T355-R402 PolarHBondContact O-NH2 2.66Å
356	D	86.4	Confident	91.9	Very high	75 Å²	75	50.3 Å²	50.3	40%	0.401	28%	0.278	S	S	.	.			trans	-154.1	103.7	-177.3	-165.3	21.8	0	0	0	108.4	S312 A313 R339 R402	S312-D356 WeakPolarHBondContact CB-OD1 3.42Å; S312-D356 PolarHBondContact OG-OD1 3.25Å; A313-D356 WeakPolarHBondContact O-CA 3.5Å; R339-D356 PolarHBondContact NH1-O 3.45Å; D356-R402 IonicContact OD1-NH1 3.2Å; D356-R402 PolarHBondContact OD1-NH1 2.9Å
357	S	86	Confident	91.8	Very high	45 Å²	45	50 Å²	50	32%	0.315	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	131.6	-174.6	-60.1	0	0	0	0	110.1	S312 A313 T359	S312-S357 CarbonylContact C-O 3.58Å; S312-S357 WeakPolarHBondContact CA-O 3.37Å; S312-S357 PolarHBondContact OG-N 3.22Å; S312-S357 PolarHBondContact OG-O 3.42Å; A313-S357 PolarHBondContact N-O 2.9Å; A313-S357 PolarHBondContact O-N 2.97Å; S357-T359 PolarHBondContact O-N 2.83Å
358	P	90	Very high	91.7	Very high	126 Å²	126	50.3 Å²	50.3	82%	0.818	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.8	141.6	174.3	-25.2	34.2	0	0	0	111.9
359	T	92.3	Very high	91.4	Very high	51 Å²	51	45.9 Å²	45.9	31%	0.313	26%	0.264	S	S	.	.			trans	-151.7	159.1	-175.2	-162.6	0	0	0	0	111.7	P311 A313 S357 I401	P311-T359 HydrophobicContact CB-CG2 4.2Å; P311-T359 WeakPolarHBondContact CB-O 3.49Å; P311-T359 WeakPolarHBondContact CG-O 3.31Å; P311-T359 PolarHBondContact O-N 3.24Å; A313-T359 HydrophobicContact CB-CG2 3.81Å; S357-T359 PolarHBondContact O-N 2.83Å; T359-I401 HydrophobicContact CG2-CD1 4.39Å; T359-I401 HydrophobicContact CG2-CG1 4.18Å; T359-I401 HydrophobicContact CG2-CG2 4.1Å
360	D	92.4	Very high	91.1	Very high	143 Å²	143	52.8 Å²	52.8	77%	0.765	30%	0.296	S	S	*	.			trans	-80.4	151.9	169	-68.3	-44.9	0	0	0	111.3	T362	D360-T362 PolarHBondContact O-N 2.85Å
361	V	93.4	Very high	91	Very high	55 Å²	55	53.8 Å²	53.8	33%	0.333	30%	0.302	S	S	.	.			trans	-70.4	122.5	176.6	-175.5	0	0	0	0	109.6	P292 F293 P311	P292-V361 HydrophobicContact CB-CG1 3.95Å; P292-V361 HydrophobicContact CB-CG2 4.37Å; P292-V361 WeakPolarHBondContact O-CG2 3.39Å; F293-V361 HydrophobicContact CD1-CG1 3.61Å; F293-V361 HydrophobicContact CD2-CG1 4.3Å; F293-V361 HydrophobicContact CE1-CG1 3.49Å; F293-V361 VanDerWaalsContact CE1-CG1 3.49Å; F293-V361 HydrophobicContact CE2-CG1 4.19Å; F293-V361 HydrophobicContact CG-CG1 4.02Å; F293-V361 HydrophobicContact CZ-CG1 3.79Å; P311-V361 HydrophobicContact CB-CG2 3.9Å; P311-V361 HydrophobicContact CG-CG2 3.83Å
362	T	93.8	Very high	90.7	Very high	59 Å²	59	53.8 Å²	53.8	36%	0.362	30%	0.301	S	S	.	.			trans	-137.7	150.7	175	177	0	0	0	0	110.6	D360 H364 P365 I401	D360-T362 PolarHBondContact O-N 2.85Å; T362-H364 VanDerWaalsContact C-N 3.26Å; T362-H364 PolarHBondContact OG1-N 3.3Å; T362-H364 VanDerWaalsContact OG1-N 3.15Å; T362-P365 HydrophobicContact CG2-CB 4.21Å; T362-I401 HydrophobicContact CG2-CD1 3.9Å
363	S	90.7	Very high	90.4	Very high	51 Å²	51	56.1 Å²	56.1	36%	0.357	31%	0.314	S	S	.	.	S	Bend	trans	-73.7	-19.8	171.5	50.6	0	0	0	0	112.7	P365	S363-P365 VanDerWaalsContact C-CD 3.41Å; S363-P365 WeakPolarHBondContact O-CD 3.46Å
364	H	92.3	Very high	90.4	Very high	102 Å²	102	58.1 Å²	58.1	47%	0.472	32%	0.323	S	S	.	.	S	Bend	trans	-123.5	69.4	-175.9	-55.8	-71.4	0	0	0	110.8	T362 I366 E602	T362-H364 VanDerWaalsContact C-N 3.26Å; T362-H364 PolarHBondContact OG1-N 3.3Å; T362-H364 VanDerWaalsContact OG1-N 3.15Å; H364-I366 PolarHBondContact O-N 3.35Å; H364-E602 HydrophobicContact CB-CG 4.36Å; H364-E602 IonicContact CE1-OE1 2.71Å; H364-E602 IonicContact CG-OE1 3.59Å; H364-E602 IonicContact ND1-OE1 2.66Å; H364-E602 PolarHBondContact ND1-OE1 3.43Å; H364-E602 IonicContact ND1-OE2 2.7Å
365	P	93.5	Very high	90.5	Very high	14 Å²	14	56.9 Å²	56.9	9%	0.091	32%	0.315	C	S	.	.			trans	-68.6	129.9	175.7	25.1	-28.7	0	0	0	110.5	R110 T362 S363 S399 I401	R110-P365 PolarHBondContact NH1-O 3.07Å; R110-P365 VanDerWaalsContact NH1-O 3.07Å; T362-P365 HydrophobicContact CG2-CB 4.21Å; S363-P365 VanDerWaalsContact C-CD 3.41Å; S363-P365 WeakPolarHBondContact O-CD 3.46Å; P365-S399 VanDerWaalsContact CG-O 3.3Å; P365-S399 WeakPolarHBondContact CG-O 3.2Å; P365-I401 HydrophobicContact CB-CD1 4.2Å; P365-I401 HydrophobicContact CB-CG1 3.99Å; P365-I401 HydrophobicContact CG-CD1 4.49Å; P365-I401 HydrophobicContact CG-CG1 4.29Å
366	I	93.2	Very high	90.6	Very high	85 Å²	85	56.9 Å²	56.9	44%	0.436	32%	0.315	S	S	.	.			trans	-113.6	132	-173.5	-68.8	164.7	0	0	0	109	H364 Y601 E602	H364-I366 PolarHBondContact O-N 3.35Å; I366-Y601 WeakPolarHBondContact CG2-O 3.43Å; I366-E602 HydrophobicContact CG1-CG 4.45Å
367	P	92.7	Very high	90.7	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.013	31%	0.311	C	S	.	.			trans	-70.4	141.4	172.6	31	-35.6	0	0	0	111.2	V315 A397	V315-P367 HydrophobicContact CG1-CB 3.79Å; V315-P367 HydrophobicContact CG2-CB 4.11Å; P367-A397 HydrophobicContact CB-CB 4.18Å; P367-A397 HydrophobicContact CG-CB 4.06Å
368	T	89.4	Confident	90.8	Very high	65 Å²	65	53.8 Å²	53.8	40%	0.399	30%	0.298	S	S	.	.			trans	-95.3	154.4	176.8	76.2	0	0	0	0	111.4	E370 D371 I372	T368-E370 PolarHBondContact O-N 2.75Å; T368-D371 PolarHBondContact O-N 3.39Å; T368-D371 VanDerWaalsContact OG1-CG 3.25Å; T368-D371 PolarHBondContact OG1-N 2.87Å; T368-D371 VanDerWaalsContact OG1-N 3.12Å; T368-D371 PolarHBondContact OG1-OD2 3.44Å; T368-I372 WeakPolarHBondContact O-CG1 3.33Å; T368-I372 PolarHBondContact O-N 2.79Å; T368-I372 VanDerWaalsContact O-N 3.13Å
369	E	85.4	Confident	90.7	Very high	42 Å²	42	47.8 Å²	47.8	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-67.6	-27.6	175.8	-167.5	43.1	-157.8	0	0	112.5	I372 N373 R391 V607 Q611	E369-I372 PolarHBondContact O-N 3.33Å; E369-N373 VanDerWaalsContact CD-ND2 3.31Å; E369-N373 WeakPolarHBondContact CG-ND2 3.3Å; E369-N373 WeakPolarHBondContact O-CB 3.39Å; E369-N373 PolarHBondContact O-N 2.68Å; E369-N373 PolarHBondContact O-ND2 2.94Å; E369-N373 PolarHBondContact OE1-ND2 2.93Å; E369-R391 IonicContact OE1-NE 3.82Å; E369-R391 PolarHBondContact OE1-NE 2.9Å; E369-R391 VanDerWaalsContact OE1-NE 3.1Å; E369-R391 IonicContact OE2-CZ 2.71Å; E369-R391 IonicContact OE2-NE 3.58Å; E369-R391 PolarHBondContact OE2-NE 2.92Å; E369-R391 IonicContact OE2-NH2 3.12Å; E369-R391 PolarHBondContact OE2-NH2 3.21Å; E369-V607 HydrophobicContact CB-CG1 3.35Å; E369-V607 HydrophobicContact CG-CG1 3.66Å; E369-V607 WeakPolarHBondContact OE2-CG1 3.04Å; E369-Q611 PolarHBondContact OE1-NE2 2.83Å
370	E	88.1	Confident	90.6	Very high	164 Å²	164	50.3 Å²	50.3	77%	0.766	26%	0.263	S	S	*	.	H	α-helix	trans	-63.8	-47.8	173.8	-175.6	178.4	178.3	0	0	110.7	T368 I372 N373 F374	T368-E370 PolarHBondContact O-N 2.75Å; E370-I372 VanDerWaalsContact C-N 3.34Å; E370-I372 PolarHBondContact O-N 3Å; E370-N373 PolarHBondContact O-N 3.48Å; E370-F374 WeakPolarHBondContact O-CB 3.49Å; E370-F374 PolarHBondContact O-N 3.22Å
371	D	91.3	Very high	90.2	Very high	22 Å²	22	47.4 Å²	47.4	12%	0.118	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-42.3	175.9	-72.2	-62.4	0	0	0	111.9	V315 T355 T368 F374 I375	V315-D371 HydrophobicContact CB-CB 3.79Å; V315-D371 HydrophobicContact CG1-CB 4.01Å; V315-D371 HydrophobicContact CG2-CB 3.69Å; V315-D371 WeakPolarHBondContact CG2-OD2 3.42Å; T355-D371 WeakPolarHBondContact CB-OD1 3.41Å; T355-D371 HydrophobicContact CG2-CB 3.94Å; T355-D371 VanDerWaalsContact CG2-OD1 3.31Å; T355-D371 WeakPolarHBondContact CG2-OD1 3.39Å; T355-D371 PolarHBondContact OG1-OD1 2.97Å; T368-D371 PolarHBondContact O-N 3.39Å; T368-D371 VanDerWaalsContact OG1-CG 3.25Å; T368-D371 PolarHBondContact OG1-N 2.87Å; T368-D371 VanDerWaalsContact OG1-N 3.12Å; T368-D371 PolarHBondContact OG1-OD2 3.44Å; D371-F374 PolarHBondContact O-N 3.23Å; D371-I375 WeakPolarHBondContact O-CG1 3.31Å; D371-I375 PolarHBondContact O-N 3.23Å
372	I	90.7	Very high	89.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-47.8	179.4	-66.8	166.9	0	0	0	110.5	I317 T368 E369 E370 F374 I375 L376 R391 V394 A397 V607	I317-I372 HydrophobicContact CG2-CB 4.39Å; I317-I372 HydrophobicContact CG2-CG1 4Å; I317-I372 HydrophobicContact CG2-CG2 4.11Å; T368-I372 WeakPolarHBondContact O-CG1 3.33Å; T368-I372 PolarHBondContact O-N 2.79Å; T368-I372 VanDerWaalsContact O-N 3.13Å; E369-I372 PolarHBondContact O-N 3.33Å; E370-I372 VanDerWaalsContact C-N 3.34Å; E370-I372 PolarHBondContact O-N 3Å; I372-F374 VanDerWaalsContact C-N 3.32Å; I372-F374 PolarHBondContact O-N 2.9Å; I372-I375 PolarHBondContact O-N 3.39Å; I372-L376 HydrophobicContact CG2-CD1 3.94Å; I372-L376 HydrophobicContact CG2-CG 4.45Å; I372-L376 WeakPolarHBondContact O-CG 3.42Å; I372-L376 PolarHBondContact O-N 3.02Å; I372-R391 VanDerWaalsContact CG2-NE 3.31Å; I372-V394 HydrophobicContact CG2-CG2 4.19Å; I372-A397 HydrophobicContact CD1-CB 3.86Å; I372-A397 HydrophobicContact CG1-CB 4.14Å; I372-V607 HydrophobicContact CD1-CB 4.43Å; I372-V607 HydrophobicContact CD1-CG1 4.41Å
373	N	88	Confident	89.2	Confident	50 Å²	50	43.7 Å²	43.7	27%	0.267	22%	0.222	S	C	.	.	H	α-helix	trans	-67.2	-32.7	178.9	-77.9	-51.3	0	0	0	112.9	E369 E370 S377	E369-N373 VanDerWaalsContact CD-ND2 3.31Å; E369-N373 WeakPolarHBondContact CG-ND2 3.3Å; E369-N373 WeakPolarHBondContact O-CB 3.39Å; E369-N373 PolarHBondContact O-N 2.68Å; E369-N373 PolarHBondContact O-ND2 2.94Å; E369-N373 PolarHBondContact OE1-ND2 2.93Å; E370-N373 PolarHBondContact O-N 3.48Å; N373-S377 VanDerWaalsContact O-CB 3.3Å; N373-S377 WeakPolarHBondContact O-CB 3.43Å; N373-S377 PolarHBondContact O-N 3.17Å; N373-S377 PolarHBondContact O-OG 3.48Å
374	F	90.3	Very high	88.9	Confident	43 Å²	43	41.7 Å²	41.7	19%	0.189	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-52.2	170.6	173.4	-94.9	0	0	0	110.5	D337 R339 I341 T355 E370 D371 I372 L376 S377 E378	D337-F374 WeakPolarHBondContact OD2-CZ 3.1Å; R339-F374 VanDerWaalsContact NH2-CE1 3.35Å; I341-F374 HydrophobicContact CD1-CE1 4.11Å; T355-F374 HydrophobicContact CG2-CD1 3.81Å; T355-F374 HydrophobicContact CG2-CE1 4.37Å; E370-F374 WeakPolarHBondContact O-CB 3.49Å; E370-F374 PolarHBondContact O-N 3.22Å; D371-F374 PolarHBondContact O-N 3.23Å; I372-F374 VanDerWaalsContact C-N 3.32Å; I372-F374 PolarHBondContact O-N 2.9Å; F374-L376 PolarHBondContact O-N 3.48Å; F374-S377 PolarHBondContact O-N 2.93Å; F374-E378 HydrophobicContact CE1-CG 4.16Å; F374-E378 HydrophobicContact CE2-CG 4.23Å; F374-E378 HydrophobicContact CZ-CG 3.94Å; F374-E378 PolarHBondContact O-N 3.02Å
375	I	92.1	Very high	88.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-45.9	179.7	-62.1	163.4	0	0	0	110.8	V315 I317 A352 T355 D371 I372 S377 E378 V379	V315-I375 HydrophobicContact CB-CD1 4.46Å; V315-I375 HydrophobicContact CG1-CD1 4.17Å; I317-I375 HydrophobicContact CD1-CB 4.12Å; I317-I375 HydrophobicContact CD1-CG2 3.57Å; I317-I375 HydrophobicContact CG1-CG2 3.81Å; I317-I375 HydrophobicContact CG2-CD1 4.16Å; A352-I375 HydrophobicContact CB-CG2 3.77Å; T355-I375 HydrophobicContact CG2-CD1 4.14Å; T355-I375 HydrophobicContact CG2-CG1 4.02Å; D371-I375 WeakPolarHBondContact O-CG1 3.31Å; D371-I375 PolarHBondContact O-N 3.23Å; I372-I375 PolarHBondContact O-N 3.39Å; I375-S377 VanDerWaalsContact C-N 3.29Å; I375-S377 PolarHBondContact O-N 3.33Å; I375-E378 PolarHBondContact O-N 3.2Å; I375-V379 HydrophobicContact CG2-CG2 4.2Å; I375-V379 WeakPolarHBondContact O-CG2 3.46Å; I375-V379 PolarHBondContact O-N 2.97Å
376	L	89.9	Confident	87.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-38	178	-71	170.2	0	0	0	112.6	I317 M319 I372 F374 V379 R380 V389 R391 V394	I317-L376 HydrophobicContact CD1-CD2 3.79Å; I317-L376 HydrophobicContact CD1-CG 4.07Å; M319-L376 HydrophobicContact SD-CD2 4.1Å; I372-L376 HydrophobicContact CG2-CD1 3.94Å; I372-L376 HydrophobicContact CG2-CG 4.45Å; I372-L376 WeakPolarHBondContact O-CG 3.42Å; I372-L376 PolarHBondContact O-N 3.02Å; F374-L376 PolarHBondContact O-N 3.48Å; L376-V379 WeakPolarHBondContact O-CB 3.4Å; L376-V379 PolarHBondContact O-N 2.98Å; L376-R380 WeakPolarHBondContact O-CG 3.49Å; L376-R380 PolarHBondContact O-N 2.58Å; L376-V389 HydrophobicContact CD2-CG1 3.77Å; L376-R391 HydrophobicContact CD1-CB 3.96Å; L376-R391 VanDerWaalsContact CD1-CD 3.42Å; L376-R391 HydrophobicContact CD1-CG 4.2Å; L376-V394 HydrophobicContact CD1-CG2 4.05Å; L376-V394 HydrophobicContact CD2-CG2 3.88Å; L376-V394 HydrophobicContact CG-CG2 4.3Å
377	S	88.2	Confident	87.2	Confident	47 Å²	47	45.7 Å²	45.7	33%	0.329	24%	0.243	S	C	.	.	H	α-helix	trans	-66.7	-41	178	-60.8	0	0	0	0	111.8	N373 F374 I375 R380 N381	N373-S377 VanDerWaalsContact O-CB 3.3Å; N373-S377 WeakPolarHBondContact O-CB 3.43Å; N373-S377 PolarHBondContact O-N 3.17Å; N373-S377 PolarHBondContact O-OG 3.48Å; F374-S377 PolarHBondContact O-N 2.93Å; I375-S377 VanDerWaalsContact C-N 3.29Å; I375-S377 PolarHBondContact O-N 3.33Å; S377-R380 PolarHBondContact O-N 3.04Å; S377-N381 PolarHBondContact O-N 2.63Å; S377-N381 PolarHBondContact O-ND2 3.22Å
378	E	89.3	Confident	86.8	Confident	9 Å²	9	50.4 Å²	50.4	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-67.4	-38.9	174.4	-63.5	-58.7	132.5	0	0	111.7	T335 S336 I341 F374 I375 R380 N381	T335-E378 VanDerWaalsContact CA-OE2 3.25Å; T335-E378 WeakPolarHBondContact CA-OE2 3.4Å; T335-E378 WeakPolarHBondContact CB-OE2 3.24Å; T335-E378 HydrophobicContact CG2-CB 4.47Å; T335-E378 HydrophobicContact CG2-CG 4.08Å; S336-E378 WeakPolarHBondContact CB-OE1 3.34Å; S336-E378 PolarHBondContact N-OE2 2.91Å; S336-E378 VanDerWaalsContact N-OE2 3.1Å; S336-E378 PolarHBondContact OG-OE1 3.32Å; I341-E378 HydrophobicContact CD1-CB 3.44Å; I341-E378 VanDerWaalsContact CD1-CB 3.44Å; I341-E378 HydrophobicContact CD1-CG 3.62Å; F374-E378 HydrophobicContact CE1-CG 4.16Å; F374-E378 HydrophobicContact CE2-CG 4.23Å; F374-E378 HydrophobicContact CZ-CG 3.94Å; F374-E378 PolarHBondContact O-N 3.02Å; I375-E378 PolarHBondContact O-N 3.2Å; E378-R380 VanDerWaalsContact C-N 3.33Å; E378-R380 PolarHBondContact O-N 3.38Å; E378-N381 WeakPolarHBondContact O-CB 3.45Å; E378-N381 PolarHBondContact O-N 3.44Å; E378-N381 VanDerWaalsContact O-N 3.17Å
379	V	88.8	Confident	86.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56.1	-46.2	173.5	168.5	0	0	0	0	111	M319 F343 A352 I375 L376 N381 Y382 L383 V389	M319-V379 HydrophobicContact CE-CG1 4.01Å; M319-V379 HydrophobicContact CE-CG2 4.11Å; M319-V379 HydrophobicContact SD-CG1 4.36Å; F343-V379 HydrophobicContact CD1-CG2 4.24Å; F343-V379 HydrophobicContact CE1-CB 3.83Å; F343-V379 HydrophobicContact CE1-CG1 3.88Å; F343-V379 HydrophobicContact CE1-CG2 3.48Å; F343-V379 VanDerWaalsContact CE1-CG2 3.48Å; F343-V379 HydrophobicContact CZ-CB 4.37Å; F343-V379 HydrophobicContact CZ-CG2 4.02Å; A352-V379 HydrophobicContact CB-CG2 3.98Å; I375-V379 HydrophobicContact CG2-CG2 4.2Å; I375-V379 WeakPolarHBondContact O-CG2 3.46Å; I375-V379 PolarHBondContact O-N 2.97Å; L376-V379 WeakPolarHBondContact O-CB 3.4Å; L376-V379 PolarHBondContact O-N 2.98Å; V379-N381 PolarHBondContact O-N 3.23Å; V379-Y382 PolarHBondContact O-N 3.41Å; V379-L383 HydrophobicContact CG1-CD1 3.78Å; V379-L383 PolarHBondContact O-N 3.37Å; V379-V389 HydrophobicContact CB-CG1 4.38Å; V379-V389 HydrophobicContact CG1-CB 4.48Å; V379-V389 HydrophobicContact CG1-CG1 3.76Å; V379-V389 HydrophobicContact CG1-CG2 3.91Å
380	R	88.3	Confident	86.4	Confident	104 Å²	104	48.2 Å²	48.2	39%	0.392	25%	0.249	S	C	.	.	H	α-helix	trans	-57.9	-34	178.5	-73.1	169	-169.2	144.3	-0.5	113.5	L376 S377 E378 Y382 V389	L376-R380 WeakPolarHBondContact O-CG 3.49Å; L376-R380 PolarHBondContact O-N 2.58Å; S377-R380 PolarHBondContact O-N 3.04Å; E378-R380 VanDerWaalsContact C-N 3.33Å; E378-R380 PolarHBondContact O-N 3.38Å; R380-Y382 PolarHBondContact O-N 2.94Å; R380-V389 HydrophobicContact CG-CB 3.53Å; R380-V389 HydrophobicContact CG-CG1 4.23Å; R380-V389 HydrophobicContact CG-CG2 3.72Å; R380-V389 PolarHBondContact NE-O 3.3Å; R380-V389 VanDerWaalsContact NE-O 3.08Å; R380-V389 PolarHBondContact NH2-O 3.33Å
381	N	84.9	Confident	86	Confident	82 Å²	82	41.3 Å²	41.3	44%	0.439	22%	0.216	S	C	.	.	H	α-helix	trans	-68.9	-20.8	-175.9	-70.2	-30.9	0	0	0	113.5	R208 S377 E378 V379	R208-N381 PolarHBondContact NH1-O 2.56Å; S377-N381 PolarHBondContact O-N 2.63Å; S377-N381 PolarHBondContact O-ND2 3.22Å; E378-N381 WeakPolarHBondContact O-CB 3.45Å; E378-N381 PolarHBondContact O-N 3.44Å; E378-N381 VanDerWaalsContact O-N 3.17Å; V379-N381 PolarHBondContact O-N 3.23Å
382	Y	80.7	Confident	85.3	Confident	28 Å²	28	41.7 Å²	41.7	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-101.1	-23.6	-176.6	-82.4	-85.1	0	0	0	114.3	P163 Y165 R208 L330 D332 V379 R380	P163-Y382 HydrophobicContact CG-CD1 4.38Å; P163-Y382 HydrophobicContact CG-CE1 4.34Å; Y165-Y382 HydrophobicContact CE2-CD1 4.49Å; Y165-Y382 HydrophobicContact CE2-CE1 4.19Å; R208-Y382 WeakPolarHBondContact CB-O 3.33Å; R208-Y382 PolarHBondContact N-O 2.89Å; L330-Y382 HydrophobicContact CD2-CD1 4.44Å; D332-Y382 HydrophobicContact CB-CD2 4.27Å; D332-Y382 HydrophobicContact CB-CE1 4.35Å; D332-Y382 HydrophobicContact CB-CE2 3.75Å; D332-Y382 PolarHBondContact OD1-OH 3.03Å; D332-Y382 WeakPolarHBondContact OD2-CE2 3.31Å; V379-Y382 PolarHBondContact O-N 3.41Å; R380-Y382 PolarHBondContact O-N 2.94Å
383	L	86.1	Confident	85.1	Confident	7 Å²	7	42 Å²	42	4%	0.037	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-84.4	154.2	177.3	-58.5	176.6	0	0	0	110.5	F204 M206 Y323 V379 V387 V389	F204-L383 HydrophobicContact CE2-CD2 4.04Å; F204-L383 HydrophobicContact CZ-CD2 3.78Å; M206-L383 HydrophobicContact CB-CD2 4.04Å; M206-L383 CarbonylContact O-C 3.23Å; M206-L383 VanDerWaalsContact O-CA 3.25Å; M206-L383 WeakPolarHBondContact O-CA 3.33Å; Y323-L383 HydrophobicContact CD1-CD1 3.59Å; Y323-L383 HydrophobicContact CE1-CD1 3.73Å; V379-L383 HydrophobicContact CG1-CD1 3.78Å; V379-L383 PolarHBondContact O-N 3.37Å; L383-V387 HydrophobicContact CB-CB 4.32Å; L383-V387 HydrophobicContact CD1-CG1 4.14Å; L383-V389 HydrophobicContact CD1-CG2 3.58Å
384	S	84.3	Confident	85.2	Confident	10 Å²	10	39.9 Å²	39.9	7%	0.07	22%	0.215	C	C	.	.			trans	-69.8	150.7	175.6	53.3	0	0	0	0	110.4	M206 D386 V387	M206-S384 PolarHBondContact O-N 3.19Å; M206-S384 PolarHBondContact O-OG 2.89Å; S384-D386 WeakPolarHBondContact CB-OD1 3.02Å; S384-D386 PolarHBondContact O-N 3.31Å; S384-D386 VanDerWaalsContact O-N 3.11Å; S384-D386 PolarHBondContact OG-OD1 3.25Å; S384-V387 WeakPolarHBondContact O-CB 3.38Å; S384-V387 PolarHBondContact O-N 3.02Å
385	C	78.6	Confident	85.2	Confident	140 Å²	140	38.4 Å²	38.4	95%	0.946	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-10.4	-172.5	56.7	0	0	0	0	114.9	V387	C385-V387 VanDerWaalsContact C-N 3.29Å
386	D	80.6	Confident	85.4	Confident	111 Å²	111	38.5 Å²	38.5	59%	0.594	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-14	169.7	52.5	-19	0	0	0	112.9	S384	S384-D386 WeakPolarHBondContact CB-OD1 3.02Å; S384-D386 PolarHBondContact O-N 3.31Å; S384-D386 VanDerWaalsContact O-N 3.11Å; S384-D386 PolarHBondContact OG-OD1 3.25Å
387	V	83.9	Confident	85.7	Confident	34 Å²	34	38.6 Å²	38.6	21%	0.206	21%	0.211	C	C	.	.	S	Bend	trans	-100	115.9	175.1	-174.1	0	0	0	0	109.4	M206 Y323 L383 S384 C385	M206-V387 HydrophobicContact CB-CG2 3.85Å; M206-V387 HydrophobicContact CG-CG2 3.64Å; M206-V387 HydrophobicContact SD-CG2 4.34Å; Y323-V387 HydrophobicContact CE1-CG1 3.97Å; L383-V387 HydrophobicContact CB-CB 4.32Å; L383-V387 HydrophobicContact CD1-CG1 4.14Å; S384-V387 WeakPolarHBondContact O-CB 3.38Å; S384-V387 PolarHBondContact O-N 3.02Å; C385-V387 VanDerWaalsContact C-N 3.29Å
388	E	83.2	Confident	86.1	Confident	101 Å²	101	36.3 Å²	36.3	47%	0.472	20%	0.195	S	C	.	.			trans	-93.7	112.2	179.5	-168.5	-175.2	162.5	0	0	109.8	Y323 R390	Y323-E388 PolarHBondContact OH-O 3.3Å; E388-R390 VanDerWaalsContact CD-NE 3.31Å; E388-R390 HydrophobicContact CG-CG 4.1Å; E388-R390 IonicContact OE1-NE 3.82Å; E388-R390 PolarHBondContact OE1-NE 3.06Å; E388-R390 IonicContact OE1-NH2 2.84Å; E388-R390 IonicContact OE2-CZ 3.33Å; E388-R390 IonicContact OE2-NE 3.77Å; E388-R390 PolarHBondContact OE2-NE 3.47Å; E388-R390 IonicContact OE2-NH2 3.63Å; E388-R390 PolarHBondContact OE2-NH2 3.15Å
389	V	85.7	Confident	86.4	Confident	7 Å²	7	36.1 Å²	36.1	4%	0.042	19%	0.194	C	C	.	.			trans	-89.5	112.8	178.6	-174.7	0	0	0	0	109.7	Y323 L376 V379 R380 L383	Y323-V389 HydrophobicContact CE1-CG2 4.08Å; L376-V389 HydrophobicContact CD2-CG1 3.77Å; V379-V389 HydrophobicContact CB-CG1 4.38Å; V379-V389 HydrophobicContact CG1-CB 4.48Å; V379-V389 HydrophobicContact CG1-CG1 3.76Å; V379-V389 HydrophobicContact CG1-CG2 3.91Å; R380-V389 HydrophobicContact CG-CB 3.53Å; R380-V389 HydrophobicContact CG-CG1 4.23Å; R380-V389 HydrophobicContact CG-CG2 3.72Å; R380-V389 PolarHBondContact NE-O 3.3Å; R380-V389 VanDerWaalsContact NE-O 3.08Å; R380-V389 PolarHBondContact NH2-O 3.33Å; L383-V389 HydrophobicContact CD1-CG2 3.58Å
390	R	80.6	Confident	86.7	Confident	54 Å²	54	36.3 Å²	36.3	20%	0.204	20%	0.196	C	C	.	.			trans	-108.8	152.5	-172.8	-60.1	160.9	174.8	166.9	14.4	110.4	E388 G392 D393 Q686	E388-R390 VanDerWaalsContact CD-NE 3.31Å; E388-R390 HydrophobicContact CG-CG 4.1Å; E388-R390 IonicContact OE1-NE 3.82Å; E388-R390 PolarHBondContact OE1-NE 3.06Å; E388-R390 IonicContact OE1-NH2 2.84Å; E388-R390 IonicContact OE2-CZ 3.33Å; E388-R390 IonicContact OE2-NE 3.77Å; E388-R390 PolarHBondContact OE2-NE 3.47Å; E388-R390 IonicContact OE2-NH2 3.63Å; E388-R390 PolarHBondContact OE2-NH2 3.15Å; R390-G392 PolarHBondContact O-N 3.38Å; R390-D393 WeakPolarHBondContact CB-OD2 3.49Å; R390-D393 PolarHBondContact N-OD2 2.72Å; R390-D393 WeakPolarHBondContact O-CB 3.3Å; R390-D393 PolarHBondContact O-N 2.85Å; R390-Q686 VanDerWaalsContact CZ-CD 3.49Å
391	R	80.3	Confident	87	Confident	19 Å²	19	31.6 Å²	31.6	7%	0.072	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-69.1	-26.3	173	-178.4	51.2	-176.5	87.8	-1.9	112.8	E369 I372 L376 D393 V394	E369-R391 IonicContact OE1-NE 3.82Å; E369-R391 PolarHBondContact OE1-NE 2.9Å; E369-R391 VanDerWaalsContact OE1-NE 3.1Å; E369-R391 IonicContact OE2-CZ 2.71Å; E369-R391 IonicContact OE2-NE 3.58Å; E369-R391 PolarHBondContact OE2-NE 2.92Å; E369-R391 IonicContact OE2-NH2 3.12Å; E369-R391 PolarHBondContact OE2-NH2 3.21Å; I372-R391 VanDerWaalsContact CG2-NE 3.31Å; L376-R391 HydrophobicContact CD1-CB 3.96Å; L376-R391 VanDerWaalsContact CD1-CD 3.42Å; L376-R391 HydrophobicContact CD1-CG 4.2Å; R391-D393 PolarHBondContact O-N 3.35Å; R391-V394 WeakPolarHBondContact O-CB 3.48Å; R391-V394 PolarHBondContact O-N 3.32Å
392	G	78	Confident	87.4	Confident	30 Å²	30	30.6 Å²	30.6	31%	0.309	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-65.4	-20.4	171	0	0	0	0	0	114	R390 V394	R390-G392 PolarHBondContact O-N 3.38Å; G392-V394 PolarHBondContact O-N 3.32Å
393	D	85.4	Confident	87.8	Confident	5 Å²	5	30.4 Å²	30.4	3%	0.027	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-75.8	-6.2	175.5	-55.2	-31.3	0	0	0	112.3	M319 P320 Y323 R390 R391 L395	M319-D393 WeakPolarHBondContact CA-O 3.46Å; P320-D393 WeakPolarHBondContact CD-O 3.46Å; Y323-D393 HydrophobicContact CE2-CB 3.9Å; Y323-D393 PolarHBondContact OH-OD2 2.76Å; R390-D393 WeakPolarHBondContact CB-OD2 3.49Å; R390-D393 PolarHBondContact N-OD2 2.72Å; R390-D393 WeakPolarHBondContact O-CB 3.3Å; R390-D393 PolarHBondContact O-N 2.85Å; R391-D393 PolarHBondContact O-N 3.35Å; D393-L395 PolarHBondContact O-N 3.32Å
394	V	89.7	Confident	88	Confident	7 Å²	7	32.4 Å²	32.4	4%	0.042	18%	0.182	C	C	.	.			trans	-80.3	106.9	175.8	179.9	0	0	0	0	109.3	I317 V318 I372 L376 R391 G392 A396 A397	I317-V394 HydrophobicContact CB-CG1 4.04Å; I317-V394 HydrophobicContact CB-CG2 4.49Å; I317-V394 HydrophobicContact CD1-CG2 4.13Å; I317-V394 HydrophobicContact CG2-CG1 4.15Å; V318-V394 CarbonylContact O-C 3.55Å; V318-V394 WeakPolarHBondContact O-CA 3.45Å; I372-V394 HydrophobicContact CG2-CG2 4.19Å; L376-V394 HydrophobicContact CD1-CG2 4.05Å; L376-V394 HydrophobicContact CD2-CG2 3.88Å; L376-V394 HydrophobicContact CG-CG2 4.3Å; R391-V394 WeakPolarHBondContact O-CB 3.48Å; R391-V394 PolarHBondContact O-N 3.32Å; G392-V394 PolarHBondContact O-N 3.32Å; V394-A396 WeakPolarHBondContact CG1-O 3.48Å; V394-A397 HydrophobicContact CG1-CB 4.36Å
395	L	91.3	Very high	87.9	Confident	11 Å²	11	32 Å²	32	6%	0.058	18%	0.179	C	C	.	.			trans	-82.3	-31.6	-177.4	-53.6	-174.2	0	0	0	112.7	V318 P320 M349 D393 L561 N562 V563 N674	V318-L395 HydrophobicContact CG1-CB 4.5Å; V318-L395 PolarHBondContact O-N 3.35Å; P320-L395 HydrophobicContact CG-CD1 4.35Å; P320-L395 HydrophobicContact CG-CD2 4.44Å; M349-L395 HydrophobicContact CE-CD1 4.09Å; M349-L395 HydrophobicContact SD-CD1 3.82Å; D393-L395 PolarHBondContact O-N 3.32Å; L395-L561 WeakPolarHBondContact CB-O 3.36Å; L395-N562 HydrophobicContact CB-CB 4.36Å; L395-V563 PolarHBondContact O-N 2.95Å; L395-N674 HydrophobicContact CD2-CB 3.68Å; L395-N674 WeakPolarHBondContact CD2-O 3.43Å
396	A	95.4	Very high	87.8	Confident	3 Å²	3	26.2 Å²	26.2	3%	0.025	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	153.8	175.7	0	0	0	0	0	109.6	I317 V318 V394 V563	I317-A396 CarbonylContact C-O 3.59Å; I317-A396 WeakPolarHBondContact CA-O 3.39Å; V318-A396 HydrophobicContact CB-CB 4.33Å; V318-A396 HydrophobicContact CG2-CB 4.48Å; V318-A396 PolarHBondContact N-O 2.84Å; V394-A396 WeakPolarHBondContact CG1-O 3.48Å; A396-V563 HydrophobicContact CB-CG2 3.89Å
397	A	95.9	Very high	87.2	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.008	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143.9	169.6	0	0	0	0	0	109.4	H316 I317 P367 I372 V394 M603 G604	H316-A397 CarbonylContact O-C 3.54Å; H316-A397 VanDerWaalsContact O-CA 3.27Å; H316-A397 WeakPolarHBondContact O-CA 3.47Å; I317-A397 HydrophobicContact CG2-CB 4.04Å; P367-A397 HydrophobicContact CB-CB 4.18Å; P367-A397 HydrophobicContact CG-CB 4.06Å; I372-A397 HydrophobicContact CD1-CB 3.86Å; I372-A397 HydrophobicContact CG1-CB 4.14Å; V394-A397 HydrophobicContact CG1-CB 4.36Å; A397-M603 PolarHBondContact N-O 3.12Å; A397-M603 CarbonylContact O-C 3.57Å; A397-M603 WeakPolarHBondContact O-CA 3.38Å; A397-G604 PolarHBondContact O-N 3.12Å
398	W	96.4	Very high	86.1	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.5	175.9	71.6	89.2	0	0	0	111	R110 V315 H316 V318 I351 F560 M603	R110-W398 PolarHBondContact O-NE1 3.29Å; V315-W398 VanDerWaalsContact CA-O 3.29Å; V315-W398 WeakPolarHBondContact CA-O 3.15Å; H316-W398 HydrophobicContact CB-CD2 3.97Å; H316-W398 HydrophobicContact CB-CE3 4.06Å; H316-W398 HydrophobicContact CB-CH2 3.47Å; H316-W398 VanDerWaalsContact CB-CH2 3.47Å; H316-W398 HydrophobicContact CB-CZ2 3.35Å; H316-W398 HydrophobicContact CB-CZ3 3.78Å; H316-W398 AromaticContact CG-CE2 3.92Å; H316-W398 AromaticContact CG-CZ2 3.63Å; H316-W398 PolarHBondContact N-O 3.19Å; H316-W398 AromaticContact ND1-CE2 3.97Å; H316-W398 AromaticContact ND1-NE1 3.7Å; H316-W398 PolarHBondContact O-N 3.11Å; V318-W398 HydrophobicContact CG2-CE3 4.45Å; V318-W398 HydrophobicContact CG2-CH2 4.2Å; V318-W398 HydrophobicContact CG2-CZ3 3.49Å; V318-W398 VanDerWaalsContact CG2-CZ3 3.49Å; I351-W398 HydrophobicContact CD1-CH2 4Å; I351-W398 HydrophobicContact CG1-CH2 4.03Å; I351-W398 HydrophobicContact CG2-CH2 3.84Å; I351-W398 HydrophobicContact CG2-CZ2 4.47Å; W398-F560 HydrophobicContact CB-CD1 4.47Å; W398-F560 HydrophobicContact CB-CE1 4.02Å; W398-F560 AromaticContact CD1-CE1 3.85Å; W398-F560 AromaticContact CD2-CD1 3.59Å; W398-F560 HydrophobicContact CD2-CD1 3.59Å; W398-F560 AromaticContact CD2-CE1 3.65Å; W398-F560 HydrophobicContact CD2-CE1 3.65Å; W398-F560 AromaticContact CE2-CE1 3.95Å; W398-F560 AromaticContact CE3-CD1 3.75Å; W398-F560 HydrophobicContact CE3-CD1 3.75Å; W398-F560 HydrophobicContact CE3-CE1 4.27Å; W398-F560 AromaticContact CG-CD1 3.96Å; W398-F560 HydrophobicContact CG-CD1 3.96Å; W398-F560 AromaticContact CG-CE1 3.53Å; W398-F560 HydrophobicContact CG-CE1 3.53Å; W398-F560 HydrophobicContact CZ2-CD1 4.45Å; W398-F560 HydrophobicContact CZ3-CD1 4.28Å; W398-M603 HydrophobicContact CB-CE 4.05Å; W398-M603 HydrophobicContact CB-SD 4.31Å
399	S	95.8	Very high	85.1	Confident	4 Å²	4	26.2 Å²	26.2	3%	0.028	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.3	173	-177.2	0	0	0	0	110.3	R110 G314 P365	R110-S399 WeakPolarHBondContact CD-O 3.45Å; R110-S399 PolarHBondContact NH1-O 3.32Å; G314-S399 WeakPolarHBondContact O-CA 3.38Å; P365-S399 VanDerWaalsContact CG-O 3.3Å; P365-S399 WeakPolarHBondContact CG-O 3.2Å
400	G	95.3	Very high	83.7	Confident	4 Å²	4	27.8 Å²	27.8	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.5	172.3	0	0	0	0	0	111.8	A313 G314	A313-G400 CarbonylContact C-O 3.6Å; A313-G400 WeakPolarHBondContact CA-O 3.36Å; G314-G400 PolarHBondContact N-O 2.61Å; G314-G400 PolarHBondContact O-N 3.02Å
401	I	95.1	Very high	82	Confident	5 Å²	5	35.6 Å²	35.6	3%	0.026	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.7	177.6	-55.4	178.1	0	0	0	109.6	T107 P292 P311 S312 T359 T362 P365	T107-I401 WeakPolarHBondContact CB-O 3.44Å; T107-I401 WeakPolarHBondContact CG2-O 3.33Å; T107-I401 PolarHBondContact OG1-O 2.9Å; P292-I401 HydrophobicContact CB-CB 4.35Å; P292-I401 HydrophobicContact CB-CG2 3.88Å; P292-I401 HydrophobicContact CG-CB 4Å; P292-I401 HydrophobicContact CG-CG2 3.91Å; P292-I401 WeakPolarHBondContact CG-O 3.4Å; P311-I401 HydrophobicContact CB-CG2 3.64Å; S312-I401 CarbonylContact O-C 3.57Å; S312-I401 WeakPolarHBondContact O-CA 3.15Å; T359-I401 HydrophobicContact CG2-CD1 4.39Å; T359-I401 HydrophobicContact CG2-CG1 4.18Å; T359-I401 HydrophobicContact CG2-CG2 4.1Å; T362-I401 HydrophobicContact CG2-CD1 3.9Å; P365-I401 HydrophobicContact CB-CD1 4.2Å; P365-I401 HydrophobicContact CB-CG1 3.99Å; P365-I401 HydrophobicContact CG-CD1 4.49Å; P365-I401 HydrophobicContact CG-CG1 4.29Å
402	R	92.4	Very high	80.4	Confident	61 Å²	61	39 Å²	39	23%	0.23	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	123.6	174.8	-60.5	179	-176.6	100.9	8.8	109.1	P311 S312 A313 G314 T354 T355 D356 L404	P311-R402 WeakPolarHBondContact CA-O 3.15Å; S312-R402 PolarHBondContact N-O 2.86Å; S312-R402 VanDerWaalsContact N-O 3.15Å; S312-R402 PolarHBondContact O-N 2.81Å; A313-R402 PolarHBondContact O-NH1 2.7Å; G314-R402 VanDerWaalsContact CA-NH1 3.3Å; T354-R402 PolarHBondContact OG1-NH2 3.01Å; T355-R402 PolarHBondContact O-NH1 3.02Å; T355-R402 PolarHBondContact O-NH2 2.66Å; D356-R402 IonicContact OD1-NH1 3.2Å; D356-R402 PolarHBondContact OD1-NH1 2.9Å; R402-L404 VanDerWaalsContact C-N 3.28Å; R402-L404 HydrophobicContact CB-CD2 4.21Å; R402-L404 HydrophobicContact CB-CG 4.3Å; R402-L404 PolarHBondContact O-N 3.41Å
403	P	90.6	Very high	78.4	Confident	24 Å²	24	42.3 Å²	42.3	16%	0.156	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	73.2	175.5	33.5	-33.7	0	0	0	109.6	P292 G434	P292-P403 HydrophobicContact CG-CB 4.16Å; P403-G434 VanDerWaalsContact O-CA 3.27Å; P403-G434 WeakPolarHBondContact O-CA 3.43Å
404	L	88.6	Confident	75.9	Confident	50 Å²	50	50.5 Å²	50.5	26%	0.262	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	153.9	174.2	-48.9	175.1	0	0	0	109.1	C309 Q310 R402 I416	C309-L404 CarbonylContact C-O 3.58Å; C309-L404 WeakPolarHBondContact CA-O 3.12Å; Q310-L404 HydrophobicContact CB-CB 4.31Å; Q310-L404 PolarHBondContact N-O 2.82Å; Q310-L404 VanDerWaalsContact O-CB 3.24Å; Q310-L404 WeakPolarHBondContact O-CB 3.38Å; Q310-L404 PolarHBondContact O-N 3.07Å; R402-L404 VanDerWaalsContact C-N 3.28Å; R402-L404 HydrophobicContact CB-CD2 4.21Å; R402-L404 HydrophobicContact CB-CG 4.3Å; R402-L404 PolarHBondContact O-N 3.41Å; L404-I416 HydrophobicContact CB-CG2 3.74Å; L404-I416 HydrophobicContact CD1-CG2 4.37Å
405	V	83.9	Confident	73.9	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138.7	-172.4	179.3	0	0	0	0	111.4	I308 S417 V421 A433 G434	I308-V405 HydrophobicContact CB-CG1 4.34Å; I308-V405 WeakPolarHBondContact O-CA 3.46Å; V405-S417 PolarHBondContact O-N 3.43Å; V405-V421 HydrophobicContact CG1-CB 4.28Å; V405-V421 HydrophobicContact CG1-CG2 3.89Å; V405-A433 HydrophobicContact CG1-CB 4.23Å; V405-A433 HydrophobicContact CG2-CB 3.56Å; V405-G434 VanDerWaalsContact CG2-CA 3.41Å
406	T	76.6	Confident	72.2	Confident	19 Å²	19	56.1 Å²	56.1	12%	0.117	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.2	163.2	-55	0	0	0	0	108.3	I308 P408 T413	I308-T406 PolarHBondContact O-N 3.09Å; T406-P408 VanDerWaalsContact O-CD 3.25Å; T406-P408 WeakPolarHBondContact O-CD 3.37Å; T406-T413 VanDerWaalsContact CG2-O 3.23Å; T406-T413 WeakPolarHBondContact CG2-O 3.37Å
407	D	67.1	Low	70.2	Confident	49 Å²	49	57.6 Å²	57.6	26%	0.262	31%	0.307	S	S	.	.			trans	-72.3	115.2	177.1	-177.5	-2.6	0	0	0	109.9	N409 S410 V421	D407-N409 PolarHBondContact O-N 3.12Å; D407-N409 WeakPolarHBondContact OD1-CB 3.26Å; D407-N409 PolarHBondContact OD1-N 3Å; D407-S410 PolarHBondContact O-N 3.19Å; D407-V421 HydrophobicContact CB-CG2 4.46Å
408	P	61.8	Low	68.6	Low	62 Å²	62	63.6 Å²	63.6	40%	0.403	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.5	179.7	28	-34.8	0	0	0	113.3	I308 T406 T423	I308-P408 HydrophobicContact CG2-CB 4.2Å; I308-P408 HydrophobicContact CG2-CG 4.09Å; T406-P408 VanDerWaalsContact O-CD 3.25Å; T406-P408 WeakPolarHBondContact O-CD 3.37Å; P408-T423 HydrophobicContact CG-CG2 4.29Å
409	N	61.1	Low	67.5	Low	134 Å²	134	65.9 Å²	65.9	72%	0.717	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-6.8	179	-63.2	-45.5	0	0	0	113.2	D407	D407-N409 PolarHBondContact O-N 3.12Å; D407-N409 WeakPolarHBondContact OD1-CB 3.26Å; D407-N409 PolarHBondContact OD1-N 3Å
410	S	56.3	Low	67.2	Low	40 Å²	40	67.1 Å²	67.1	28%	0.28	35%	0.347	S	S	.	.			trans	-82.4	138.1	177.7	-179.5	0	0	0	0	111.2	D407 D412	D407-S410 PolarHBondContact O-N 3.19Å; S410-D412 PolarHBondContact O-N 2.98Å; S410-D412 PolarHBondContact OG-N 3.4Å
411	K	44.8	Very low	67	Low	218 Å²	218	67.7 Å²	67.7	95%	0.948	35%	0.349	S	S	*	.	S	Bend	trans	-70.1	-14.3	172.8	-67.7	-176.2	179.4	179.8	0	112.9
412	D	46	Very low	67	Low	90 Å²	90	69.5 Å²	69.5	48%	0.481	36%	0.361	S	S	.	.			trans	-108.7	84.9	179.1	-170.8	-3.1	0	0	0	110.3	S410 Q414 S415	S410-D412 PolarHBondContact O-N 2.98Å; S410-D412 PolarHBondContact OG-N 3.4Å; D412-Q414 PolarHBondContact O-N 2.97Å; D412-Q414 PolarHBondContact OD1-N 3.1Å; D412-S415 PolarHBondContact O-N 3.36Å; D412-S415 PolarHBondContact O-OG 3.49Å
413	T	36.1	Very low	67.2	Low	101 Å²	101	67.9 Å²	67.9	62%	0.62	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-6.3	-176.8	52.8	0	0	0	0	113.9	T406	T406-T413 VanDerWaalsContact CG2-O 3.23Å; T406-T413 WeakPolarHBondContact CG2-O 3.37Å
414	Q	33.6	Very low	67.4	Low	176 Å²	176	69.9 Å²	69.9	82%	0.822	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-12.7	175.7	-65.6	-151.8	-12.5	0	0	113.7	D412 I416	D412-Q414 PolarHBondContact O-N 2.97Å; D412-Q414 PolarHBondContact OD1-N 3.1Å; Q414-I416 PolarHBondContact O-N 2.96Å
415	S	48.1	Very low	67.7	Low	56 Å²	56	69.2 Å²	69.2	39%	0.392	37%	0.369	S	S	.	.	S	Bend	trans	-82.8	95.8	177.1	66.9	0	0	0	0	110.4	D412 S417	D412-S415 PolarHBondContact O-N 3.36Å; D412-S415 PolarHBondContact O-OG 3.49Å; S415-S417 PolarHBondContact O-N 2.64Å
416	I	54.8	Low	68.1	Low	81 Å²	81	75.7 Å²	75.7	42%	0.415	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	114.1	171.1	-63.1	174.1	0	0	0	108	L404 Q414 R418	L404-I416 HydrophobicContact CB-CG2 3.74Å; L404-I416 HydrophobicContact CD1-CG2 4.37Å; Q414-I416 PolarHBondContact O-N 2.96Å; I416-R418 PolarHBondContact O-N 3.1Å
417	S	53.4	Low	68.9	Low	33 Å²	33	75.2 Å²	75.2	23%	0.231	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	125.7	175	-178	0	0	0	0	108.4	V405 S415 N419	V405-S417 PolarHBondContact O-N 3.43Å; S415-S417 PolarHBondContact O-N 2.64Å; S417-N419 PolarHBondContact OG-N 2.75Å
418	R	62.2	Low	70.3	Confident	128 Å²	128	73 Å²	73	48%	0.483	39%	0.39	S	S	.	.	S	Bend	trans	-87.3	4.5	174.2	-67.8	-170.8	172.4	-130.5	-3.6	112.6	Y121 M136 I416	Y121-R418 WeakPolarHBondContact OH-CD 3.34Å; Y121-R418 PolarHBondContact OH-NH1 3.08Å; M136-R418 HydrophobicContact CE-CB 4.34Å; I416-R418 PolarHBondContact O-N 3.1Å
419	N	74.9	Confident	72	Confident	48 Å²	48	70.2 Å²	70.2	26%	0.257	37%	0.371	S	S	.	.	S	Bend	trans	-96.9	173.4	171.8	-77.1	-13.8	0	0	0	110.8	M136 S417 G435	M136-N419 WeakPolarHBondContact CE-OD1 3.04Å; M136-N419 VanDerWaalsContact CG-OD1 3.23Å; M136-N419 WeakPolarHBondContact CG-OD1 3.14Å; M136-N419 PolarHBondContact SD-OD1 3.14Å; S417-N419 PolarHBondContact OG-N 2.75Å; N419-G435 PolarHBondContact O-N 3.27Å
420	H	89.3	Confident	73.8	Confident	29 Å²	29	63.8 Å²	63.8	13%	0.134	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	158.9	164.2	60.9	-73.5	0	0	0	111.4	I432 A433 M443 D446	H420-I432 HydrophobicContact CB-CD1 3.66Å; H420-A433 CarbonylContact C-O 3.43Å; H420-A433 WeakPolarHBondContact CA-O 3.43Å; H420-A433 WeakPolarHBondContact CB-O 3.42Å; H420-M443 HydrophobicContact CB-CE 4.35Å; H420-M443 HydrophobicContact CB-CG 3.96Å; H420-M443 HydrophobicContact CB-SD 4.39Å; H420-D446 IonicContact CD2-OD2 3.52Å; H420-D446 IonicContact CE1-OD2 3.9Å; H420-D446 PolarHBondContact CE1-OD2 3.21Å; H420-D446 IonicContact NE2-OD2 2.73Å; H420-D446 PolarHBondContact NE2-OD2 3.18Å
421	V	91.3	Very high	75.8	Confident	16 Å²	16	62.1 Å²	62.1	10%	0.097	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.4	173.2	-177.2	0	0	0	0	108	V405 D407 T423 A433	V405-V421 HydrophobicContact CG1-CB 4.28Å; V405-V421 HydrophobicContact CG1-CG2 3.89Å; D407-V421 HydrophobicContact CB-CG2 4.46Å; V421-T423 HydrophobicContact CG1-CG2 3.86Å; V421-A433 PolarHBondContact N-O 2.9Å; V421-A433 PolarHBondContact O-N 2.83Å
422	V	94.8	Very high	78.2	Confident	43 Å²	43	51.9 Å²	51.9	26%	0.261	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.4	171	-177.4	0	0	0	0	108.4	V430 T431 I432 D446 A450	V422-V430 HydrophobicContact CG1-CG1 4.13Å; V422-T431 CarbonylContact C-O 3.58Å; V422-T431 WeakPolarHBondContact CA-O 3.46Å; V422-I432 HydrophobicContact CG2-CD1 3.63Å; V422-D446 HydrophobicContact CG2-CB 4.41Å; V422-A450 HydrophobicContact CG1-CB 3.64Å
423	T	95	Very high	80.5	Confident	28 Å²	28	47.6 Å²	47.6	17%	0.172	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.3	175.2	59.9	0	0	0	0	110.7	P408 V421 V430 T431	P408-T423 HydrophobicContact CG-CG2 4.29Å; V421-T423 HydrophobicContact CG1-CG2 3.86Å; T423-V430 CarbonylContact O-C 3.55Å; T423-V430 WeakPolarHBondContact O-CA 3.48Å; T423-T431 PolarHBondContact N-O 3.46Å; T423-T431 PolarHBondContact O-N 3.08Å
424	V	96.2	Very high	83.1	Confident	65 Å²	65	43.3 Å²	43.3	39%	0.394	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.3	174.1	-174.3	0	0	0	0	107.5	L429 V430 A454	V424-L429 WeakPolarHBondContact CA-O 3.31Å; V424-V430 HydrophobicContact CG2-CG2 4.24Å; V424-A454 HydrophobicContact CG1-CB 3.99Å; V424-A454 HydrophobicContact CG2-CB 4.28Å
425	S	95	Very high	85.8	Confident	36 Å²	36	36.1 Å²	36.1	25%	0.252	21%	0.207	S	C	.	.			trans	-75	165.1	178.5	77.2	0	0	0	0	111.9	D301 S427 G428 L429	D301-S425 VanDerWaalsContact OD2-CB 3.28Å; D301-S425 WeakPolarHBondContact OD2-CB 3.33Å; D301-S425 PolarHBondContact OD2-OG 3.28Å; S425-S427 PolarHBondContact O-N 3.44Å; S425-S427 PolarHBondContact OG-N 2.88Å; S425-S427 PolarHBondContact OG-OG 3.42Å; S425-G428 WeakPolarHBondContact O-CA 3.19Å; S425-G428 PolarHBondContact O-N 3.13Å; S425-G428 PolarHBondContact OG-N 2.82Å; S425-L429 PolarHBondContact N-O 3Å; S425-L429 WeakPolarHBondContact OG-CB 2.92Å; S425-L429 PolarHBondContact OG-N 3.16Å; S425-L429 VanDerWaalsContact OG-N 3.09Å
426	D	92.2	Very high	87.8	Confident	137 Å²	137	37 Å²	37	73%	0.733	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.1	175.2	-81.1	-6.1	0	0	0	113.1	R264 G428	R264-D426 PolarHBondContact NH1-O 2.86Å; D426-G428 VanDerWaalsContact C-N 3.31Å
427	S	93.8	Very high	89.7	Confident	10 Å²	10	34.5 Å²	34.5	7%	0.07	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.1	175.4	76.3	0	0	0	0	113	E263 R264 V265 D301 S425	E263-S427 WeakPolarHBondContact O-CA 3.46Å; E263-S427 WeakPolarHBondContact O-CB 3.22Å; R264-S427 CarbonylContact C-O 3.44Å; R264-S427 VanDerWaalsContact CA-O 3.27Å; R264-S427 WeakPolarHBondContact CA-O 3.33Å; R264-S427 WeakPolarHBondContact CD-O 3.1Å; V265-S427 WeakPolarHBondContact CG2-OG 3.26Å; V265-S427 PolarHBondContact N-O 3.15Å; D301-S427 WeakPolarHBondContact OD1-CB 3.39Å; D301-S427 PolarHBondContact OD1-OG 3.31Å; D301-S427 PolarHBondContact OD2-OG 2.99Å; S425-S427 PolarHBondContact O-N 3.44Å; S425-S427 PolarHBondContact OG-N 2.88Å; S425-S427 PolarHBondContact OG-OG 3.42Å
428	G	95.3	Very high	91.6	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.031	18%	0.18	C	C	.	.			trans	92.8	9.6	178.2	0	0	0	0	0	115.4	S425 D426 V430 H455	S425-G428 WeakPolarHBondContact O-CA 3.19Å; S425-G428 PolarHBondContact O-N 3.13Å; S425-G428 PolarHBondContact OG-N 2.82Å; D426-G428 VanDerWaalsContact C-N 3.31Å; G428-V430 PolarHBondContact O-N 3.08Å; G428-H455 PolarHBondContact O-CE1 2.67Å; G428-H455 PolarHBondContact O-NE2 2.84Å
429	L	97.9	Very high	93.2	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	16%	0.16	C	C	.	.			trans	-68.4	123	172.1	178.9	69.6	0	0	0	109.7	L252 V265 V286 N288 D301 V424 S425	L252-L429 HydrophobicContact CD1-CD1 4.3Å; L252-L429 HydrophobicContact CD1-CD2 4.16Å; V265-L429 HydrophobicContact CG2-CB 4.47Å; V286-L429 HydrophobicContact CB-CD1 4.06Å; V286-L429 HydrophobicContact CG1-CD1 3.83Å; N288-L429 HydrophobicContact CB-CD1 4.32Å; D301-L429 HydrophobicContact CB-CD2 3.9Å; V424-L429 WeakPolarHBondContact CA-O 3.31Å; S425-L429 PolarHBondContact N-O 3Å; S425-L429 WeakPolarHBondContact OG-CB 2.92Å; S425-L429 PolarHBondContact OG-N 3.16Å; S425-L429 VanDerWaalsContact OG-N 3.09Å
430	V	98.4	Very high	94.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.8	173.8	-176.8	0	0	0	0	108.2	V286 I287 N288 V422 T423 V424 G428 T447 A451	V286-V430 PolarHBondContact O-N 2.9Å; I287-V430 CarbonylContact C-O 3.56Å; I287-V430 VanDerWaalsContact CA-O 3.31Å; I287-V430 WeakPolarHBondContact CA-O 3.37Å; I287-V430 HydrophobicContact CG1-CB 4.19Å; N288-V430 PolarHBondContact N-O 3.09Å; V422-V430 HydrophobicContact CG1-CG1 4.13Å; T423-V430 CarbonylContact O-C 3.55Å; T423-V430 WeakPolarHBondContact O-CA 3.48Å; V424-V430 HydrophobicContact CG2-CG2 4.24Å; G428-V430 PolarHBondContact O-N 3.08Å; V430-T447 HydrophobicContact CG1-CG2 3.99Å; V430-A451 HydrophobicContact CG2-CB 4.11Å
431	T	98.1	Very high	94.6	Very high	4 Å²	4	25 Å²	25	3%	0.025	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.9	179.6	-63.5	0	0	0	0	110.8	N288 T294 R298 V422 T423	N288-T431 HydrophobicContact CB-CG2 4.26Å; T294-T431 HydrophobicContact CG2-CG2 3.41Å; T294-T431 VanDerWaalsContact CG2-CG2 3.41Å; R298-T431 HydrophobicContact CG-CG2 4.1Å; V422-T431 CarbonylContact C-O 3.58Å; V422-T431 WeakPolarHBondContact CA-O 3.46Å; T423-T431 PolarHBondContact N-O 3.46Å; T423-T431 PolarHBondContact O-N 3.08Å
432	I	96.8	Very high	94.8	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.015	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.6	171.2	173.9	68.4	0	0	0	109.1	T80 I287 N288 A289 H420 V422 M443 T447	T80-I432 HydrophobicContact CG2-CB 4.3Å; T80-I432 HydrophobicContact CG2-CG1 3.65Å; T80-I432 HydrophobicContact CG2-CG2 3.56Å; I287-I432 HydrophobicContact CG2-CG2 4.49Å; N288-I432 WeakPolarHBondContact O-CG2 3.06Å; N288-I432 PolarHBondContact O-N 3.32Å; A289-I432 HydrophobicContact CB-CG2 3.68Å; H420-I432 HydrophobicContact CB-CD1 3.66Å; V422-I432 HydrophobicContact CG2-CD1 3.63Å; I432-M443 HydrophobicContact CD1-CB 4.42Å; I432-M443 HydrophobicContact CD1-CE 4.46Å; I432-M443 HydrophobicContact CG1-CE 4.3Å; I432-T447 HydrophobicContact CB-CG2 4.05Å; I432-T447 WeakPolarHBondContact CB-OG1 3.22Å; I432-T447 WeakPolarHBondContact CG1-OG1 3.38Å; I432-T447 HydrophobicContact CG2-CG2 3.97Å
433	A	93.6	Very high	94.9	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.008	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	148.5	179.8	0	0	0	0	0	110.2	T294 I308 V405 H420 V421	T294-A433 HydrophobicContact CG2-CB 4.04Å; I308-A433 HydrophobicContact CD1-CB 3.7Å; I308-A433 HydrophobicContact CG1-CB 4.38Å; V405-A433 HydrophobicContact CG1-CB 4.23Å; V405-A433 HydrophobicContact CG2-CB 3.56Å; H420-A433 CarbonylContact C-O 3.43Å; H420-A433 WeakPolarHBondContact CA-O 3.43Å; H420-A433 WeakPolarHBondContact CB-O 3.42Å; V421-A433 PolarHBondContact N-O 2.9Å; V421-A433 PolarHBondContact O-N 2.83Å
434	G	91.2	Very high	95	Very high	10 Å²	10	21.2 Å²	21.2	10%	0.103	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.6	-150.7	173.9	0	0	0	0	0	114.3	P403 V405 M443	P403-G434 VanDerWaalsContact O-CA 3.27Å; P403-G434 WeakPolarHBondContact O-CA 3.43Å; V405-G434 VanDerWaalsContact CG2-CA 3.41Å; G434-M443 WeakPolarHBondContact O-CE 3.42Å
435	G	89.3	Confident	95.1	Very high	25 Å²	25	20.8 Å²	20.8	26%	0.258	12%	0.116	S	C	.	.			trans	78.9	-163.9	-178.9	0	0	0	0	0	114.5	N419	N419-G435 PolarHBondContact O-N 3.27Å
436	K	90.3	Very high	95.2	Very high	74 Å²	74	22.1 Å²	22.1	32%	0.322	12%	0.121	S	C	.	.			trans	-142.8	159	-173.7	-64.7	172.5	-172	156.7	0	109.7	Y121 T438 T439 Y440	Y121-K436 VanDerWaalsContact CE2-NZ 3.3Å; Y121-K436 PolarHBondContact OH-NZ 3.41Å; K436-T438 VanDerWaalsContact C-N 3.33Å; K436-T438 PolarHBondContact O-N 3.48Å; K436-T439 PolarHBondContact O-N 3.24Å; K436-T439 PolarHBondContact O-OG1 3.47Å; K436-Y440 PolarHBondContact O-N 3.18Å
437	W	94.4	Very high	95.5	Very high	29 Å²	29	15.6 Å²	15.6	11%	0.11	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-54.7	-51.3	173.6	-154.4	120.7	0	0	0	110.5	A79 L147 H223 M228 I232 T439 Y440	A79-W437 HydrophobicContact CB-CZ2 4.38Å; L147-W437 HydrophobicContact CD1-CE3 4.1Å; L147-W437 HydrophobicContact CD1-CZ3 3.58Å; L147-W437 HydrophobicContact CD2-CH2 3.84Å; L147-W437 HydrophobicContact CD2-CZ3 3.49Å; L147-W437 VanDerWaalsContact CD2-CZ3 3.49Å; L147-W437 HydrophobicContact CG-CZ3 4.14Å; H223-W437 AromaticContact CE1-CD1 3.88Å; H223-W437 AromaticContact CE1-CD2 3.32Å; H223-W437 AromaticContact CE1-CE2 3.48Å; H223-W437 VanDerWaalsContact CE1-CE2 3.48Å; H223-W437 AromaticContact CE1-CE3 3.56Å; H223-W437 AromaticContact CE1-CG 3.7Å; H223-W437 AromaticContact CE1-NE1 3.73Å; H223-W437 AromaticContact ND1-CE2 4Å; H223-W437 AromaticContact ND1-CE3 3.88Å; M228-W437 HydrophobicContact CB-CH2 4.07Å; M228-W437 HydrophobicContact CB-CZ2 3.77Å; M228-W437 HydrophobicContact CG-CH2 3.14Å; M228-W437 HydrophobicContact CG-CZ2 3.36Å; M228-W437 HydrophobicContact CG-CZ3 4.19Å; M228-W437 HydrophobicContact SD-CH2 4.43Å; I232-W437 HydrophobicContact CD1-CH2 4.05Å; I232-W437 HydrophobicContact CD1-CZ2 4.3Å; W437-T439 PolarHBondContact O-N 3.37Å; W437-Y440 AromaticContact CE3-CD1 3.96Å; W437-Y440 HydrophobicContact CE3-CD1 3.96Å; W437-Y440 AromaticContact CH2-CD1 3.81Å; W437-Y440 HydrophobicContact CH2-CD1 3.81Å; W437-Y440 AromaticContact CH2-CE1 3.79Å; W437-Y440 HydrophobicContact CH2-CE1 3.79Å; W437-Y440 HydrophobicContact CH2-CG 4.42Å; W437-Y440 AromaticContact CZ3-CD1 3.39Å; W437-Y440 HydrophobicContact CZ3-CD1 3.39Å; W437-Y440 AromaticContact CZ3-CE1 3.55Å; W437-Y440 HydrophobicContact CZ3-CE1 3.55Å; W437-Y440 HydrophobicContact CZ3-CG 4.28Å; W437-Y440 WeakPolarHBondContact O-CB 2.95Å; W437-Y440 WeakPolarHBondContact O-CD1 3.43Å; W437-Y440 PolarHBondContact O-N 2.8Å
438	T	94.8	Very high	95.7	Very high	7 Å²	7	15.2 Å²	15.2	4%	0.043	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-48.3	-37.2	-178.5	-55.2	0	0	0	0	113.9	I115 H116 A140 E143 K436	I115-T438 HydrophobicContact CG2-CG2 3.63Å; H116-T438 PolarHBondContact N-OG1 2.92Å; H116-T438 PolarHBondContact O-OG1 3.12Å; A140-T438 HydrophobicContact CB-CG2 4.14Å; A140-T438 WeakPolarHBondContact O-CG2 3.36Å; E143-T438 HydrophobicContact CB-CG2 4.35Å; E143-T438 WeakPolarHBondContact CB-O 3.27Å; K436-T438 VanDerWaalsContact C-N 3.33Å; K436-T438 PolarHBondContact O-N 3.48Å
439	T	94.3	Very high	95.8	Very high	12 Å²	12	17.9 Å²	17.9	7%	0.074	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-101.8	14.2	-173.3	56.4	0	0	0	0	113.4	E139 K436 W437 R441 A442 M443	E139-T439 HydrophobicContact CG-CG2 4.36Å; K436-T439 PolarHBondContact O-N 3.24Å; K436-T439 PolarHBondContact O-OG1 3.47Å; W437-T439 PolarHBondContact O-N 3.37Å; T439-R441 PolarHBondContact O-N 3.23Å; T439-R441 VanDerWaalsContact O-N 3.13Å; T439-A442 PolarHBondContact O-N 3.34Å; T439-M443 VanDerWaalsContact O-CG 3.26Å; T439-M443 WeakPolarHBondContact O-CG 3.26Å; T439-M443 PolarHBondContact O-N 3.08Å
440	Y	96.4	Very high	95.8	Very high	5 Å²	5	18.8 Å²	18.8	2%	0.02	10%	0.104	C	C	.	.	H	α-helix	trans	-54.3	-36.7	-174	82.9	-75.1	0	0	0	113.5	A79 L147 I232 K436 W437 M443 A444	A79-Y440 HydrophobicContact CB-CG 4.48Å; A79-Y440 WeakPolarHBondContact O-CD2 3.3Å; L147-Y440 HydrophobicContact CD1-CD1 4.49Å; L147-Y440 HydrophobicContact CD1-CE1 4.15Å; L147-Y440 HydrophobicContact CD2-CE1 3.71Å; L147-Y440 HydrophobicContact CG-CE1 4.05Å; I232-Y440 HydrophobicContact CD1-CD2 3.93Å; I232-Y440 HydrophobicContact CD1-CE1 4.41Å; I232-Y440 HydrophobicContact CD1-CE2 3.31Å; I232-Y440 HydrophobicContact CG1-CE2 4.12Å; I232-Y440 HydrophobicContact CG2-CE2 4.48Å; K436-Y440 PolarHBondContact O-N 3.18Å; W437-Y440 AromaticContact CE3-CD1 3.96Å; W437-Y440 HydrophobicContact CE3-CD1 3.96Å; W437-Y440 AromaticContact CH2-CD1 3.81Å; W437-Y440 HydrophobicContact CH2-CD1 3.81Å; W437-Y440 AromaticContact CH2-CE1 3.79Å; W437-Y440 HydrophobicContact CH2-CE1 3.79Å; W437-Y440 HydrophobicContact CH2-CG 4.42Å; W437-Y440 AromaticContact CZ3-CD1 3.39Å; W437-Y440 HydrophobicContact CZ3-CD1 3.39Å; W437-Y440 AromaticContact CZ3-CE1 3.55Å; W437-Y440 HydrophobicContact CZ3-CE1 3.55Å; W437-Y440 HydrophobicContact CZ3-CG 4.28Å; W437-Y440 WeakPolarHBondContact O-CB 2.95Å; W437-Y440 WeakPolarHBondContact O-CD1 3.43Å; W437-Y440 PolarHBondContact O-N 2.8Å; Y440-M443 WeakPolarHBondContact O-CB 3.27Å; Y440-A444 WeakPolarHBondContact O-CB 3.43Å; Y440-A444 PolarHBondContact O-N 3.27Å
441	R	97	Very high	95.8	Very high	16 Å²	16	18.8 Å²	18.8	6%	0.06	11%	0.105	C	C	.	.	H	α-helix	trans	-73.3	-43.5	-178.6	-178.5	-143.8	70.1	76.2	-2.1	111.3	E143 T439 M443 A444 Q445 T464	E143-R441 IonicContact OE1-CZ 3.4Å; E143-R441 IonicContact OE1-NE 3.39Å; E143-R441 PolarHBondContact OE1-NE 3.19Å; E143-R441 VanDerWaalsContact OE1-NE 3.16Å; E143-R441 IonicContact OE1-NH2 2.72Å; E143-R441 PolarHBondContact OE1-NH2 2.88Å; E143-R441 WeakPolarHBondContact OE2-CB 2.95Å; E143-R441 IonicContact OE2-CZ 3.52Å; E143-R441 IonicContact OE2-NE 2.82Å; E143-R441 PolarHBondContact OE2-NE 3.42Å; E143-R441 IonicContact OE2-NH2 3.25Å; T439-R441 PolarHBondContact O-N 3.23Å; T439-R441 VanDerWaalsContact O-N 3.13Å; R441-M443 VanDerWaalsContact C-N 3.33Å; R441-A444 WeakPolarHBondContact O-CB 3.42Å; R441-A444 PolarHBondContact O-N 3.4Å; R441-Q445 WeakPolarHBondContact O-CB 3.48Å; R441-Q445 PolarHBondContact O-N 3.35Å; R441-T464 WeakPolarHBondContact CD-OG1 3.44Å; R441-T464 VanDerWaalsContact CG-OG1 3.28Å; R441-T464 WeakPolarHBondContact CG-OG1 3.43Å; R441-T464 PolarHBondContact NH1-OG1 3.17Å
442	A	95.8	Very high	95.7	Very high	5 Å²	5	20 Å²	20	4%	0.041	11%	0.11	C	C	.	.	H	α-helix	trans	-60.1	-44.2	171.9	0	0	0	0	0	111.2	E139 E143 T439 A444 Q445 D446	E139-A442 HydrophobicContact CG-CB 4.36Å; E143-A442 HydrophobicContact CG-CB 4.3Å; T439-A442 PolarHBondContact O-N 3.34Å; A442-A444 VanDerWaalsContact C-N 3.32Å; A442-A444 PolarHBondContact O-N 3.37Å; A442-Q445 PolarHBondContact O-N 2.96Å; A442-D446 PolarHBondContact O-N 2.83Å
443	M	96.4	Very high	95.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-58.6	-43.2	174.2	-67.7	165.6	49.5	0	0	112.3	T80 H420 I432 G434 T439 Y440 R441 T447	T80-M443 HydrophobicContact CG2-CE 3.83Å; T80-M443 VanDerWaalsContact OG1-CE 3.28Å; T80-M443 WeakPolarHBondContact OG1-CE 3.5Å; H420-M443 HydrophobicContact CB-CE 4.35Å; H420-M443 HydrophobicContact CB-CG 3.96Å; H420-M443 HydrophobicContact CB-SD 4.39Å; I432-M443 HydrophobicContact CD1-CB 4.42Å; I432-M443 HydrophobicContact CD1-CE 4.46Å; I432-M443 HydrophobicContact CG1-CE 4.3Å; G434-M443 WeakPolarHBondContact O-CE 3.42Å; T439-M443 VanDerWaalsContact O-CG 3.26Å; T439-M443 WeakPolarHBondContact O-CG 3.26Å; T439-M443 PolarHBondContact O-N 3.08Å; Y440-M443 WeakPolarHBondContact O-CB 3.27Å; R441-M443 VanDerWaalsContact C-N 3.33Å; M443-T447 WeakPolarHBondContact O-CB 3.44Å; M443-T447 PolarHBondContact O-N 3Å; M443-T447 PolarHBondContact O-OG1 3.37Å
444	A	98.2	Very high	95.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-63.2	-46.8	176.8	0	0	0	0	0	111.6	D87 Y440 R441 A442 D446 T447 I448	D87-A444 HydrophobicContact CB-CB 4.48Å; Y440-A444 WeakPolarHBondContact O-CB 3.43Å; Y440-A444 PolarHBondContact O-N 3.27Å; R441-A444 WeakPolarHBondContact O-CB 3.42Å; R441-A444 PolarHBondContact O-N 3.4Å; A442-A444 VanDerWaalsContact C-N 3.32Å; A442-A444 PolarHBondContact O-N 3.37Å; A444-D446 PolarHBondContact O-N 3.16Å; A444-T447 PolarHBondContact O-N 2.68Å; A444-I448 WeakPolarHBondContact O-CG1 3.34Å; A444-I448 PolarHBondContact O-N 2.63Å
445	Q	97.7	Very high	95.9	Very high	55 Å²	55	32.7 Å²	32.7	26%	0.257	18%	0.176	S	C	.	.	H	α-helix	trans	-56.2	-51.1	176.3	173.1	176.3	-19.7	0	0	111.3	R441 A442 T447 I448 D449	R441-Q445 WeakPolarHBondContact O-CB 3.48Å; R441-Q445 PolarHBondContact O-N 3.35Å; A442-Q445 PolarHBondContact O-N 2.96Å; Q445-T447 VanDerWaalsContact C-N 3.28Å; Q445-T447 PolarHBondContact O-N 3.03Å; Q445-I448 PolarHBondContact O-N 3.18Å; Q445-D449 WeakPolarHBondContact O-CB 3.15Å; Q445-D449 PolarHBondContact O-N 3.39Å
446	D	97.1	Very high	96.1	Very high	65 Å²	65	34.2 Å²	34.2	35%	0.348	19%	0.191	S	C	.	.	H	α-helix	trans	-60.6	-39	179.2	-69.6	-13.4	0	0	0	112.1	H420 V422 A442 A444 A450	H420-D446 IonicContact CD2-OD2 3.52Å; H420-D446 IonicContact CE1-OD2 3.9Å; H420-D446 PolarHBondContact CE1-OD2 3.21Å; H420-D446 IonicContact NE2-OD2 2.73Å; H420-D446 PolarHBondContact NE2-OD2 3.18Å; V422-D446 HydrophobicContact CG2-CB 4.41Å; A442-D446 PolarHBondContact O-N 2.83Å; A444-D446 PolarHBondContact O-N 3.16Å; D446-A450 WeakPolarHBondContact O-CB 3.5Å; D446-A450 PolarHBondContact O-N 3.34Å
447	T	98.3	Very high	96.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.5	-43.9	179.8	-55.7	0	0	0	0	111.5	I287 V430 I432 M443 A444 Q445 A450 A451	I287-T447 HydrophobicContact CD1-CG2 4.31Å; I287-T447 HydrophobicContact CG2-CG2 3.64Å; V430-T447 HydrophobicContact CG1-CG2 3.99Å; I432-T447 HydrophobicContact CB-CG2 4.05Å; I432-T447 WeakPolarHBondContact CB-OG1 3.22Å; I432-T447 WeakPolarHBondContact CG1-OG1 3.38Å; I432-T447 HydrophobicContact CG2-CG2 3.97Å; M443-T447 WeakPolarHBondContact O-CB 3.44Å; M443-T447 PolarHBondContact O-N 3Å; M443-T447 PolarHBondContact O-OG1 3.37Å; A444-T447 PolarHBondContact O-N 2.68Å; Q445-T447 VanDerWaalsContact C-N 3.28Å; Q445-T447 PolarHBondContact O-N 3.03Å; T447-A450 PolarHBondContact O-N 3.45Å; T447-A451 WeakPolarHBondContact O-CB 3.5Å; T447-A451 PolarHBondContact O-N 3.13Å
448	I	98.5	Very high	96.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-70.5	-37.5	177.5	-63.5	-51.1	0	0	0	111	C84 D87 A88 L93 I287 A444 Q445 A450 A451 I452	C84-I448 HydrophobicContact CB-CD1 4.11Å; C84-I448 HydrophobicContact CB-CG1 4.47Å; D87-I448 HydrophobicContact CB-CG1 4.16Å; D87-I448 VanDerWaalsContact OD2-CB 3.23Å; D87-I448 WeakPolarHBondContact OD2-CB 3.43Å; D87-I448 WeakPolarHBondContact OD2-CG1 3.36Å; D87-I448 WeakPolarHBondContact OD2-CG2 3.35Å; A88-I448 HydrophobicContact CB-CD1 3.87Å; A88-I448 HydrophobicContact CB-CG1 4.33Å; L93-I448 HydrophobicContact CD1-CG2 4.41Å; I287-I448 HydrophobicContact CD1-CD1 3.43Å; I287-I448 VanDerWaalsContact CD1-CD1 3.43Å; A444-I448 WeakPolarHBondContact O-CG1 3.34Å; A444-I448 PolarHBondContact O-N 2.63Å; Q445-I448 PolarHBondContact O-N 3.18Å; I448-A450 VanDerWaalsContact C-N 3.34Å; I448-A450 PolarHBondContact O-N 3.06Å; I448-A451 WeakPolarHBondContact O-CB 3.39Å; I448-A451 PolarHBondContact O-N 2.99Å; I448-I452 HydrophobicContact CG2-CD1 3.74Å; I448-I452 HydrophobicContact CG2-CG1 4.25Å; I448-I452 WeakPolarHBondContact O-CB 3.26Å; I448-I452 WeakPolarHBondContact O-CD1 3.38Å; I448-I452 WeakPolarHBondContact O-CG1 3.04Å; I448-I452 PolarHBondContact O-N 3.25Å
449	D	98	Very high	96.2	Very high	60 Å²	60	40.5 Å²	40.5	32%	0.321	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-43.6	174.5	-70.4	-11.5	0	0	0	111	R91 Q445 I452 Q453	R91-D449 IonicContact CZ-OD1 3.69Å; R91-D449 IonicContact NH1-OD1 2.67Å; R91-D449 PolarHBondContact NH1-OD1 2.88Å; R91-D449 IonicContact NH2-OD1 3.17Å; R91-D449 PolarHBondContact NH2-OD1 3.02Å; Q445-D449 WeakPolarHBondContact O-CB 3.15Å; Q445-D449 PolarHBondContact O-N 3.39Å; D449-I452 PolarHBondContact O-N 2.93Å; D449-Q453 PolarHBondContact O-N 2.76Å
450	A	97.6	Very high	96	Very high	20 Å²	20	42.3 Å²	42.3	17%	0.165	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-40.5	173.7	0	0	0	0	0	112.4	V422 D446 T447 I448 Q453 A454	V422-A450 HydrophobicContact CG1-CB 3.64Å; D446-A450 WeakPolarHBondContact O-CB 3.5Å; D446-A450 PolarHBondContact O-N 3.34Å; T447-A450 PolarHBondContact O-N 3.45Å; I448-A450 VanDerWaalsContact C-N 3.34Å; I448-A450 PolarHBondContact O-N 3.06Å; A450-Q453 PolarHBondContact O-N 3.45Å; A450-A454 VanDerWaalsContact O-CB 3.28Å; A450-A454 WeakPolarHBondContact O-CB 3.35Å; A450-A454 PolarHBondContact O-N 2.64Å
451	A	97.7	Very high	95.8	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-63.7	-42.9	175.9	0	0	0	0	0	112.1	I287 V430 T447 I448 A454 H455	I287-A451 HydrophobicContact CD1-CB 4.21Å; V430-A451 HydrophobicContact CG2-CB 4.11Å; T447-A451 WeakPolarHBondContact O-CB 3.5Å; T447-A451 PolarHBondContact O-N 3.13Å; I448-A451 WeakPolarHBondContact O-CB 3.39Å; I448-A451 PolarHBondContact O-N 2.99Å; A451-A454 PolarHBondContact O-N 2.91Å; A451-H455 WeakPolarHBondContact O-CB 3.4Å; A451-H455 PolarHBondContact O-N 2.71Å
452	I	97.2	Very high	95.6	Very high	28 Å²	28	47 Å²	47	14%	0.144	29%	0.288	C	S	.	.	H	α-helix	trans	-59.3	-48	175.4	-71.4	162.7	0	0	0	110.5	I448 D449 G456 F457 V459	I448-I452 HydrophobicContact CG2-CD1 3.74Å; I448-I452 HydrophobicContact CG2-CG1 4.25Å; I448-I452 WeakPolarHBondContact O-CB 3.26Å; I448-I452 WeakPolarHBondContact O-CD1 3.38Å; I448-I452 WeakPolarHBondContact O-CG1 3.04Å; I448-I452 PolarHBondContact O-N 3.25Å; D449-I452 PolarHBondContact O-N 2.93Å; I452-G456 WeakPolarHBondContact O-CA 3.45Å; I452-G456 PolarHBondContact O-N 3.13Å; I452-F457 HydrophobicContact CB-CB 4.47Å; I452-F457 HydrophobicContact CG1-CB 4.18Å; I452-F457 HydrophobicContact CG1-CD2 4.37Å; I452-F457 HydrophobicContact CG2-CB 4.31Å; I452-F457 WeakPolarHBondContact CG2-O 3.3Å; I452-F457 PolarHBondContact O-N 3.05Å; I452-V459 HydrophobicContact CD1-CG2 3.41Å; I452-V459 VanDerWaalsContact CD1-CG2 3.41Å; I452-V459 HydrophobicContact CG1-CG2 3.77Å
453	Q	96.1	Very high	95.6	Very high	170 Å²	170	50.9 Å²	50.9	79%	0.794	30%	0.301	S	S	*	.	H	α-helix	trans	-65	-43.7	179.7	-173.3	-179.9	6.3	0	0	112.1	D449 A450	D449-Q453 PolarHBondContact O-N 2.76Å; A450-Q453 PolarHBondContact O-N 3.45Å
454	A	94.6	Very high	95.5	Very high	53 Å²	53	51.2 Å²	51.2	44%	0.438	30%	0.304	S	S	.	.	H	α-helix	trans	-71.8	-34	-176.3	0	0	0	0	0	113.4	V424 A450 A451	V424-A454 HydrophobicContact CG1-CB 3.99Å; V424-A454 HydrophobicContact CG2-CB 4.28Å; A450-A454 VanDerWaalsContact O-CB 3.28Å; A450-A454 WeakPolarHBondContact O-CB 3.35Å; A450-A454 PolarHBondContact O-N 2.64Å; A451-A454 PolarHBondContact O-N 2.91Å
455	H	94.8	Very high	95.3	Very high	58 Å²	58	52.9 Å²	52.9	27%	0.269	31%	0.314	S	S	.	.	H	α-helix	trans	-108.5	-0.5	-174.5	-68.1	-86.6	0	0	0	114.2	K284 C285 G428 A451 F457	K284-H455 PolarHBondContact O-CE1 3.48Å; K284-H455 PolarHBondContact O-ND1 3.13Å; C285-H455 HydrophobicContact CB-CB 4.46Å; C285-H455 PolarHBondContact SG-CD2 3.4Å; G428-H455 PolarHBondContact O-CE1 2.67Å; G428-H455 PolarHBondContact O-NE2 2.84Å; A451-H455 WeakPolarHBondContact O-CB 3.4Å; A451-H455 PolarHBondContact O-N 2.71Å; H455-F457 HydrophobicContact CB-CD2 4.2Å; H455-F457 HydrophobicContact CB-CE2 3.73Å; H455-F457 HydrophobicContact CB-CZ 3.99Å
456	G	93.1	Very high	95	Very high	57 Å²	57	51 Å²	51	59%	0.588	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	36	172.6	0	0	0	0	0	114.3	I452	I452-G456 WeakPolarHBondContact O-CA 3.45Å; I452-G456 PolarHBondContact O-N 3.13Å
457	F	95.2	Very high	94.9	Very high	26 Å²	26	48.5 Å²	48.5	11%	0.114	30%	0.296	C	S	.	.			trans	-72.3	139.6	175.3	-63.5	-55.3	0	0	0	111.2	D71 V72 L93 K284 C285 I452 H455 V459	D71-F457 HydrophobicContact CB-CE1 4.05Å; D71-F457 HydrophobicContact CB-CZ 4.24Å; D71-F457 VanDerWaalsContact O-CZ 3.28Å; D71-F457 WeakPolarHBondContact O-CZ 3.35Å; V72-F457 HydrophobicContact CG2-CE2 4.13Å; L93-F457 HydrophobicContact CD2-CB 4.2Å; L93-F457 HydrophobicContact CD2-CD1 4.22Å; L93-F457 HydrophobicContact CD2-CD2 4.36Å; L93-F457 HydrophobicContact CD2-CG 4.02Å; K284-F457 HydrophobicContact CB-CE1 4.12Å; K284-F457 HydrophobicContact CB-CZ 3.91Å; K284-F457 HydrophobicContact CD-CE1 3.86Å; K284-F457 HydrophobicContact CD-CZ 4.48Å; C285-F457 HydrophobicContact CB-CE2 3.82Å; C285-F457 HydrophobicContact CB-CZ 3.96Å; I452-F457 HydrophobicContact CB-CB 4.47Å; I452-F457 HydrophobicContact CG1-CB 4.18Å; I452-F457 HydrophobicContact CG1-CD2 4.37Å; I452-F457 HydrophobicContact CG2-CB 4.31Å; I452-F457 WeakPolarHBondContact CG2-O 3.3Å; I452-F457 PolarHBondContact O-N 3.05Å; H455-F457 HydrophobicContact CB-CD2 4.2Å; H455-F457 HydrophobicContact CB-CE2 3.73Å; H455-F457 HydrophobicContact CB-CZ 3.99Å; F457-V459 HydrophobicContact CB-CG2 4.46Å
458	N	92.5	Very high	94.7	Very high	169 Å²	169	53 Å²	53	90%	0.904	32%	0.317	S	S	*	.			trans	-102.4	79.4	176.1	-69.8	-36.4	0	0	0	109.9
459	V	93.4	Very high	94.6	Very high	47 Å²	47	53.2 Å²	53.2	29%	0.285	32%	0.318	S	S	.	.			trans	-131.6	163.3	179.1	-63.5	0	0	0	0	111.5	R91 L93 I452 F457	R91-V459 HydrophobicContact CB-CB 4.41Å; R91-V459 HydrophobicContact CB-CG2 4.4Å; L93-V459 HydrophobicContact CD1-CG2 4.45Å; L93-V459 HydrophobicContact CD2-CG1 3.62Å; L93-V459 HydrophobicContact CD2-CG2 4.35Å; L93-V459 HydrophobicContact CG-CG1 4.08Å; L93-V459 HydrophobicContact CG-CG2 4.44Å; I452-V459 HydrophobicContact CD1-CG2 3.41Å; I452-V459 VanDerWaalsContact CD1-CG2 3.41Å; I452-V459 HydrophobicContact CG1-CG2 3.77Å; F457-V459 HydrophobicContact CB-CG2 4.46Å
460	G	89.9	Confident	94.4	Very high	50 Å²	50	51.3 Å²	51.3	52%	0.515	31%	0.307	S	S	.	.			trans	-74.8	-178	-179.5	0	0	0	0	0	114.8	R91	R91-G460 PolarHBondContact NH1-O 2.87Å
461	S	92.4	Very high	94.3	Very high	97 Å²	97	50.5 Å²	50.5	68%	0.678	30%	0.301	S	S	*	.			trans	-64.9	163.6	173.2	58	0	0	0	0	112.4
462	S	94.3	Very high	94.2	Very high	23 Å²	23	50.6 Å²	50.6	16%	0.161	30%	0.302	C	S	.	.			trans	-52.1	141.6	172.3	-173.4	0	0	0	0	111.9	D87 R91 T464	D87-S462 VanDerWaalsContact OD1-CB 3.23Å; D87-S462 WeakPolarHBondContact OD1-CB 3.39Å; D87-S462 PolarHBondContact OD1-OG 2.98Å; R91-S462 VanDerWaalsContact CZ-N 3.33Å; S462-T464 PolarHBondContact OG-N 3.38Å; S462-T464 PolarHBondContact OG-OG1 3.23Å
463	R	93.7	Very high	93.8	Very high	86 Å²	86	54.8 Å²	54.8	33%	0.325	32%	0.321	S	S	.	.			trans	-117.3	14.7	177.8	-55.6	-177.6	73.5	176.6	5.7	112.4	V46 T90	V46-R463 HydrophobicContact CG2-CB 4.27Å; T90-R463 WeakPolarHBondContact O-CD 3.41Å
464	T	94.6	Very high	93.5	Very high	8 Å²	8	52.8 Å²	52.8	5%	0.049	31%	0.311	C	S	.	.			trans	-86.9	-17	-168.7	56.4	0	0	0	0	114.2	D87 R441 S462 G466 L467	D87-T464 HydrophobicContact CB-CG2 3.84Å; D87-T464 WeakPolarHBondContact OD1-CG2 3.3Å; R441-T464 WeakPolarHBondContact CD-OG1 3.44Å; R441-T464 VanDerWaalsContact CG-OG1 3.28Å; R441-T464 WeakPolarHBondContact CG-OG1 3.43Å; R441-T464 PolarHBondContact NH1-OG1 3.17Å; S462-T464 PolarHBondContact OG-N 3.38Å; S462-T464 PolarHBondContact OG-OG1 3.23Å; T464-G466 PolarHBondContact O-N 2.85Å; T464-L467 PolarHBondContact O-N 3.11Å
465	V	94.3	Very high	93.5	Very high	36 Å²	36	53.1 Å²	53.1	22%	0.218	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	124.5	174.3	179.7	0	0	0	0	109.2	L467	V465-L467 PolarHBondContact O-N 2.86Å
466	G	92.4	Very high	93.5	Very high	17 Å²	17	52.2 Å²	52.2	18%	0.175	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	3.4	-176.5	0	0	0	0	0	115	N146 T464 Q468	N146-G466 PolarHBondContact OD1-N 2.73Å; T464-G466 PolarHBondContact O-N 2.85Å; G466-Q468 PolarHBondContact O-N 2.96Å; G466-Q468 VanDerWaalsContact O-N 3.16Å
467	L	94.1	Very high	93.4	Very high	11 Å²	11	53.2 Å²	53.2	6%	0.058	30%	0.298	C	S	.	.			trans	-74.5	107	177.2	-172.6	149.7	0	0	0	109.9	L86 T90 I150 T235 Y239 T464 V465 L469	L86-L467 HydrophobicContact CD1-CD2 4.28Å; L86-L467 HydrophobicContact CD2-CD2 4.29Å; T90-L467 HydrophobicContact CG2-CD1 3.66Å; I150-L467 VanDerWaalsContact CB-O 3.28Å; I150-L467 WeakPolarHBondContact CB-O 3.39Å; I150-L467 VanDerWaalsContact CG2-O 3.31Å; I150-L467 WeakPolarHBondContact CG2-O 3.08Å; T235-L467 HydrophobicContact CG2-CD2 3.76Å; Y239-L467 HydrophobicContact CE2-CD1 4.32Å; Y239-L467 HydrophobicContact CE2-CD2 4.19Å; T464-L467 PolarHBondContact O-N 3.11Å; V465-L467 PolarHBondContact O-N 2.86Å; L467-L469 HydrophobicContact CD2-CD2 4.45Å; L467-L469 PolarHBondContact O-N 3.12Å
468	Q	95.4	Very high	93.5	Very high	94 Å²	94	56 Å²	56	44%	0.439	32%	0.317	S	S	.	.			trans	-60.6	131.3	179	-71.4	-172.5	-39.9	0	0	111.6	G466 A472	G466-Q468 PolarHBondContact O-N 2.96Å; G466-Q468 VanDerWaalsContact O-N 3.16Å; Q468-A472 HydrophobicContact CB-CB 4.11Å; Q468-A472 HydrophobicContact CG-CB 4.47Å
469	L	95.9	Very high	93.6	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	28%	0.276	C	S	.	.			trans	-82.1	163.4	177.2	-59.1	-174.2	0	0	0	111.2	L86 I150 A151 M228 A231 I232 T235 L467 G471 A472	L86-L469 HydrophobicContact CD2-CD2 3.94Å; I150-L469 HydrophobicContact CB-CG 4.49Å; I150-L469 HydrophobicContact CD1-CD1 4.1Å; I150-L469 HydrophobicContact CD1-CD2 4.38Å; I150-L469 HydrophobicContact CD1-CG 4.03Å; I150-L469 HydrophobicContact CG1-CD1 4.38Å; I150-L469 HydrophobicContact CG1-CG 4.21Å; I150-L469 PolarHBondContact O-N 2.73Å; A151-L469 HydrophobicContact CB-CB 4.41Å; A151-L469 HydrophobicContact CB-CD1 4.05Å; A151-L469 HydrophobicContact CB-CG 4.44Å; M228-L469 HydrophobicContact SD-CD1 3.75Å; A231-L469 HydrophobicContact CB-CB 4.23Å; A231-L469 HydrophobicContact CB-CD1 4.34Å; I232-L469 HydrophobicContact CG1-CD1 3.66Å; I232-L469 HydrophobicContact CG1-CD2 4.23Å; T235-L469 HydrophobicContact CG2-CD2 4.32Å; L467-L469 HydrophobicContact CD2-CD2 4.45Å; L467-L469 PolarHBondContact O-N 3.12Å; L469-G471 PolarHBondContact O-N 2.65Å; L469-A472 WeakPolarHBondContact O-CB 3.39Å; L469-A472 PolarHBondContact O-N 3.35Å
470	E	94.1	Very high	93.8	Very high	20 Å²	20	49.5 Å²	49.5	9%	0.093	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.8	127.3	170.6	-173.4	63.1	-165.7	0	0	111.5	F54 H153 L234 T235 R238 R504	F54-E470 HydrophobicContact CE2-CG 4.23Å; F54-E470 VanDerWaalsContact CE2-OE1 3.29Å; F54-E470 WeakPolarHBondContact CE2-OE1 3.19Å; F54-E470 HydrophobicContact CZ-CG 3.88Å; F54-E470 WeakPolarHBondContact CZ-OE2 3.07Å; H153-E470 PolarHBondContact CE1-O 3.48Å; H153-E470 VanDerWaalsContact CE1-O 3.3Å; H153-E470 PolarHBondContact NE2-O 3.03Å; L234-E470 HydrophobicContact CB-CB 4.45Å; T235-E470 PolarHBondContact OG1-N 3.32Å; R238-E470 IonicContact CZ-OE1 2.76Å; R238-E470 IonicContact CZ-OE2 3.6Å; R238-E470 VanDerWaalsContact CZ-OE2 3.24Å; R238-E470 IonicContact NE-OE1 3.53Å; R238-E470 IonicContact NE-OE2 2.72Å; R238-E470 PolarHBondContact NE-OE2 3.31Å; R238-E470 IonicContact NH2-OE1 3.53Å; R238-E470 PolarHBondContact NH2-OE1 3.42Å; R238-E470 IonicContact NH2-OE2 3.19Å; R238-E470 PolarHBondContact NH2-OE2 3.37Å; E470-R504 HydrophobicContact CG-CG 4.45Å; E470-R504 VanDerWaalsContact OE1-CD 3.24Å; E470-R504 WeakPolarHBondContact OE1-CD 3.45Å; E470-R504 WeakPolarHBondContact OE1-CG 3.34Å; E470-R504 IonicContact OE1-NE 2.98Å
471	G	94.1	Very high	94.2	Very high	3 Å²	3	50.1 Å²	50.1	3%	0.031	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	97	-19.1	-176.8	0	0	0	0	0	114.9	L469 G502 D503	L469-G471 PolarHBondContact O-N 2.65Å; G471-G502 CarbonylContact O-C 3.59Å; G471-G502 VanDerWaalsContact O-CA 3.27Å; G471-G502 WeakPolarHBondContact O-CA 3.47Å; G471-D503 WeakPolarHBondContact CA-OD1 3.49Å; G471-D503 PolarHBondContact O-N 3.42Å
472	A	95.6	Very high	94.4	Very high	3 Å²	3	53.2 Å²	53.2	3%	0.025	26%	0.263	C	S	.	.			trans	-86.9	-30	-167.3	0	0	0	0	0	115.6	I150 H153 Q468 L469 H474 W475	I150-A472 WeakPolarHBondContact O-CB 3.44Å; H153-A472 PolarHBondContact CE1-N 2.76Å; Q468-A472 HydrophobicContact CB-CB 4.11Å; Q468-A472 HydrophobicContact CG-CB 4.47Å; L469-A472 WeakPolarHBondContact O-CB 3.39Å; L469-A472 PolarHBondContact O-N 3.35Å; A472-H474 PolarHBondContact O-N 2.97Å; A472-W475 PolarHBondContact O-N 3.06Å
473	E	89.3	Confident	94.6	Very high	117 Å²	117	52.1 Å²	52.1	55%	0.547	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-40.1	-163.4	-168.4	177	174.3	0	0	114.6
474	H	90.7	Very high	94.8	Very high	128 Å²	128	49.4 Å²	49.4	59%	0.593	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.2	22.7	-179.1	-58	-36.6	0	0	0	113.5	A472 D503	A472-H474 PolarHBondContact O-N 2.97Å; H474-D503 HydrophobicContact CB-CB 3.85Å; H474-D503 IonicContact CD2-OD2 2.83Å
475	W	94.6	Very high	94.9	Very high	59 Å²	59	55.8 Å²	55.8	22%	0.223	28%	0.278	C	S	.	.			trans	-75.3	144.6	178.8	-178.3	80.1	0	0	0	112.3	P152 H153 A472 P477 A498	P152-W475 HydrophobicContact CB-CE3 3.72Å; P152-W475 HydrophobicContact CB-CH2 4.43Å; P152-W475 HydrophobicContact CB-CZ3 3.66Å; P152-W475 HydrophobicContact CG-CD2 4.26Å; P152-W475 HydrophobicContact CG-CE3 3.61Å; P152-W475 HydrophobicContact CG-CZ3 4.1Å; P152-W475 WeakPolarHBondContact O-CH2 3.4Å; H153-W475 VanDerWaalsContact CB-CD1 3.49Å; H153-W475 HydrophobicContact CB-CD2 4.02Å; H153-W475 HydrophobicContact CB-CG 3.77Å; A472-W475 PolarHBondContact O-N 3.06Å; W475-P477 HydrophobicContact CH2-CG 3.9Å; W475-P477 HydrophobicContact CZ3-CG 4.09Å; W475-A498 VanDerWaalsContact CD1-O 3.31Å; W475-A498 PolarHBondContact NE1-O 3.43Å
476	S	93.8	Very high	95	Very high	40 Å²	40	59 Å²	59	28%	0.28	29%	0.294	S	S	.	.			trans	-146.8	157.4	166.6	77.6	0	0	0	0	110.8	T478 L479	S476-T478 PolarHBondContact O-N 3.12Å; S476-T478 PolarHBondContact OG-N 3.3Å; S476-T478 PolarHBondContact OG-OG1 3.34Å; S476-L479 VanDerWaalsContact O-CB 3.26Å; S476-L479 WeakPolarHBondContact O-CB 3.44Å; S476-L479 PolarHBondContact O-N 3.19Å; S476-L479 PolarHBondContact OG-N 3.16Å
477	P	91.7	Very high	95.1	Very high	78 Å²	78	61.1 Å²	61.1	51%	0.506	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-18.5	174.7	-25.1	34.5	0	0	0	114.2	W475 Y480	W475-P477 HydrophobicContact CH2-CG 3.9Å; W475-P477 HydrophobicContact CZ3-CG 4.09Å; P477-Y480 WeakPolarHBondContact O-CD1 3.48Å; P477-Y480 WeakPolarHBondContact O-CE1 3.2Å
478	T	96	Very high	95.3	Very high	85 Å²	85	60.8 Å²	60.8	52%	0.521	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	1.1	-179.6	55	0	0	0	0	113.5	S476 Y480 I481	S476-T478 PolarHBondContact O-N 3.12Å; S476-T478 PolarHBondContact OG-N 3.3Å; S476-T478 PolarHBondContact OG-OG1 3.34Å; T478-Y480 PolarHBondContact O-N 2.74Å; T478-I481 HydrophobicContact CG2-CD1 4.22Å; T478-I481 VanDerWaalsContact O-CB 3.31Å; T478-I481 WeakPolarHBondContact O-CB 3.43Å; T478-I481 WeakPolarHBondContact O-CG1 3.35Å; T478-I481 PolarHBondContact O-N 3.07Å
479	L	96.4	Very high	95.3	Very high	8 Å²	8	56.3 Å²	56.3	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-54.5	-37.8	-178.5	-175.1	151.3	0	0	0	112.4	S476 I481 R482 L483 A498 A505 F506	S476-L479 VanDerWaalsContact O-CB 3.26Å; S476-L479 WeakPolarHBondContact O-CB 3.44Å; S476-L479 PolarHBondContact O-N 3.19Å; S476-L479 PolarHBondContact OG-N 3.16Å; L479-I481 PolarHBondContact O-N 3.28Å; L479-I481 VanDerWaalsContact O-N 3.15Å; L479-R482 PolarHBondContact O-N 2.98Å; L479-L483 HydrophobicContact CD2-CD1 3.68Å; L479-L483 HydrophobicContact CD2-CG 3.96Å; L479-L483 PolarHBondContact O-N 2.75Å; L479-A498 HydrophobicContact CB-CB 4.41Å; L479-A498 HydrophobicContact CD2-CB 3.68Å; L479-A505 HydrophobicContact CD2-CB 4.18Å; L479-F506 HydrophobicContact CD1-CE2 3.94Å; L479-F506 HydrophobicContact CD2-CE2 4.08Å; L479-F506 HydrophobicContact CD2-CZ 4.25Å; L479-F506 HydrophobicContact CG-CE2 3.89Å; L479-F506 HydrophobicContact CG-CZ 4.1Å
480	Y	97.3	Very high	95.4	Very high	71 Å²	71	59 Å²	59	28%	0.278	29%	0.288	S	S	.	.	H	α-helix	trans	-57.4	-30.2	178.3	80.8	-86.8	0	0	0	113.2	P477 T478 R482 L483 V484 A494 Q495	P477-Y480 WeakPolarHBondContact O-CD1 3.48Å; P477-Y480 WeakPolarHBondContact O-CE1 3.2Å; T478-Y480 PolarHBondContact O-N 2.74Å; Y480-R482 VanDerWaalsContact C-N 3.29Å; Y480-R482 PolarHBondContact O-N 3Å; Y480-L483 WeakPolarHBondContact O-CB 3.43Å; Y480-L483 PolarHBondContact O-N 2.91Å; Y480-V484 WeakPolarHBondContact O-CG2 3.31Å; Y480-V484 PolarHBondContact O-N 3.09Å; Y480-A494 WeakPolarHBondContact CB-O 3.39Å; Y480-Q495 HydrophobicContact CD1-CG 4.14Å; Y480-Q495 HydrophobicContact CD2-CG 3.65Å; Y480-Q495 HydrophobicContact CE2-CG 4.14Å; Y480-Q495 HydrophobicContact CG-CG 3.66Å
481	I	97.8	Very high	95.5	Very high	63 Å²	63	60.8 Å²	60.8	32%	0.323	30%	0.303	S	S	.	.	H	α-helix	trans	-62.7	-40.6	179.3	-59.7	176.6	0	0	0	110	T478 L479 V484 Q485	T478-I481 HydrophobicContact CG2-CD1 4.22Å; T478-I481 VanDerWaalsContact O-CB 3.31Å; T478-I481 WeakPolarHBondContact O-CB 3.43Å; T478-I481 WeakPolarHBondContact O-CG1 3.35Å; T478-I481 PolarHBondContact O-N 3.07Å; L479-I481 PolarHBondContact O-N 3.28Å; L479-I481 VanDerWaalsContact O-N 3.15Å; I481-V484 PolarHBondContact O-N 2.75Å; I481-Q485 HydrophobicContact CG2-CG 4.29Å; I481-Q485 WeakPolarHBondContact O-CB 3.29Å; I481-Q485 VanDerWaalsContact O-CG 3.27Å; I481-Q485 WeakPolarHBondContact O-CG 3.4Å; I481-Q485 PolarHBondContact O-N 2.75Å
482	R	97.2	Very high	95.6	Very high	162 Å²	162	62.8 Å²	62.8	61%	0.611	31%	0.311	S	S	*	.	H	α-helix	trans	-67.5	-39.7	175.9	-70.5	-170.3	175.7	-175.4	-1	111.9	L479 Y480 V484 Q485 D486 F506	L479-R482 PolarHBondContact O-N 2.98Å; Y480-R482 VanDerWaalsContact C-N 3.29Å; Y480-R482 PolarHBondContact O-N 3Å; R482-V484 VanDerWaalsContact C-N 3.27Å; R482-V484 PolarHBondContact O-N 3.48Å; R482-Q485 PolarHBondContact O-N 2.91Å; R482-D486 VanDerWaalsContact O-CB 3.24Å; R482-D486 WeakPolarHBondContact O-CB 3.42Å; R482-D486 VanDerWaalsContact O-CG 3.25Å; R482-D486 PolarHBondContact O-N 2.81Å; R482-F506 HydrophobicContact CB-CE1 4.04Å; R482-F506 HydrophobicContact CB-CZ 3.97Å
483	L	97.4	Very high	95.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.6	-40.6	174.4	-66.5	174	0	0	0	111.8	L479 Y480 Y487 L489 A494 L497 A498 A505 F506 A509	L479-L483 HydrophobicContact CD2-CD1 3.68Å; L479-L483 HydrophobicContact CD2-CG 3.96Å; L479-L483 PolarHBondContact O-N 2.75Å; Y480-L483 WeakPolarHBondContact O-CB 3.43Å; Y480-L483 PolarHBondContact O-N 2.91Å; L483-Y487 WeakPolarHBondContact O-CB 3.41Å; L483-Y487 PolarHBondContact O-N 3.46Å; L483-L489 HydrophobicContact CB-CD1 4.07Å; L483-A494 HydrophobicContact CB-CB 3.88Å; L483-A494 HydrophobicContact CD1-CB 4.47Å; L483-A494 WeakPolarHBondContact CD1-O 3.25Å; L483-L497 HydrophobicContact CD1-CB 4.15Å; L483-A498 HydrophobicContact CD1-CB 4.29Å; L483-A505 HydrophobicContact CD1-CB 3.73Å; L483-A505 HydrophobicContact CD2-CB 4.25Å; L483-F506 HydrophobicContact CD2-CD1 3.53Å; L483-F506 HydrophobicContact CD2-CE1 3.69Å; L483-F506 HydrophobicContact CD2-CG 4.11Å; L483-F506 HydrophobicContact CD2-CZ 4.38Å; L483-F506 HydrophobicContact CG-CE1 4.25Å; L483-A509 HydrophobicContact CD2-CB 3.96Å
484	V	97.5	Very high	96.1	Very high	29 Å²	29	57.1 Å²	57.1	18%	0.176	28%	0.284	C	S	.	.	H	α-helix	trans	-66.4	-49.3	174.3	176.7	0	0	0	0	111.1	Y480 I481 R482 G488 A494 W519	Y480-V484 WeakPolarHBondContact O-CG2 3.31Å; Y480-V484 PolarHBondContact O-N 3.09Å; I481-V484 PolarHBondContact O-N 2.75Å; R482-V484 VanDerWaalsContact C-N 3.27Å; R482-V484 PolarHBondContact O-N 3.48Å; V484-G488 VanDerWaalsContact O-CA 3.23Å; V484-G488 WeakPolarHBondContact O-CA 3.22Å; V484-G488 PolarHBondContact O-N 3.11Å; V484-A494 HydrophobicContact CG2-CB 3.53Å; V484-W519 HydrophobicContact CG1-CH2 3.81Å; V484-W519 HydrophobicContact CG1-CZ2 4.14Å
485	Q	96.7	Very high	96.4	Very high	142 Å²	142	55.3 Å²	55.3	66%	0.664	28%	0.276	S	S	*	.	H	α-helix	trans	-68.8	-42.3	-174.5	-73.9	174.6	-15.4	0	0	113.4	I481 R482	I481-Q485 HydrophobicContact CG2-CG 4.29Å; I481-Q485 WeakPolarHBondContact O-CB 3.29Å; I481-Q485 VanDerWaalsContact O-CG 3.27Å; I481-Q485 WeakPolarHBondContact O-CG 3.4Å; I481-Q485 PolarHBondContact O-N 2.75Å; R482-Q485 PolarHBondContact O-N 2.91Å
486	D	96.3	Very high	96.5	Very high	104 Å²	104	53 Å²	53	56%	0.556	27%	0.268	S	S	*	.	H	α-helix	trans	-85.1	-31.8	-171.4	-61.6	-19.2	0	0	0	112.1	R482	R482-D486 VanDerWaalsContact O-CB 3.24Å; R482-D486 WeakPolarHBondContact O-CB 3.42Å; R482-D486 VanDerWaalsContact O-CG 3.25Å; R482-D486 PolarHBondContact O-N 2.81Å
487	Y	96.4	Very high	96.6	Very high	60 Å²	60	51.1 Å²	51.1	24%	0.235	26%	0.255	C	S	.	.	H	α-helix	trans	-114.7	-18.1	-174	-61.1	-95.3	0	0	0	113.7	L483 F506 A509 K510 V522	L483-Y487 WeakPolarHBondContact O-CB 3.41Å; L483-Y487 PolarHBondContact O-N 3.46Å; Y487-F506 AromaticContact CE2-CD1 3.8Å; Y487-F506 HydrophobicContact CE2-CD1 3.8Å; Y487-F506 HydrophobicContact CE2-CE1 4.36Å; Y487-A509 HydrophobicContact CD1-CB 3.84Å; Y487-A509 HydrophobicContact CD2-CB 3.98Å; Y487-A509 HydrophobicContact CE1-CB 4.02Å; Y487-A509 HydrophobicContact CE2-CB 4.19Å; Y487-A509 HydrophobicContact CG-CB 3.84Å; Y487-K510 HydrophobicContact CE1-CB 4.47Å; Y487-K510 HydrophobicContact CE1-CG 3.73Å; Y487-K510 WeakPolarHBondContact OH-CE 3.03Å; Y487-K510 WeakPolarHBondContact OH-CG 3.18Å; Y487-V522 WeakPolarHBondContact O-CG2 3.47Å
488	G	96.3	Very high	96.9	Very high	5 Å²	5	47.7 Å²	47.7	5%	0.052	23%	0.233	C	C	.	.			trans	73.1	32.7	-174.4	0	0	0	0	0	113.4	V484 I521	V484-G488 VanDerWaalsContact O-CA 3.23Å; V484-G488 WeakPolarHBondContact O-CA 3.22Å; V484-G488 PolarHBondContact O-N 3.11Å; G488-I521 PolarHBondContact O-N 3.11Å
489	L	97.1	Very high	96.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.223	C	C	.	.			trans	-72.4	149.7	171.3	-75.5	166	0	0	0	110.9	L483 V493 A494 L497 A509 W519 V522 I533	L483-L489 HydrophobicContact CB-CD1 4.07Å; L489-V493 HydrophobicContact CD2-CG1 4.08Å; L489-A494 HydrophobicContact CB-CB 4.3Å; L489-L497 HydrophobicContact CD1-CD1 3.99Å; L489-A509 HydrophobicContact CD1-CB 3.82Å; L489-W519 WeakPolarHBondContact O-CH2 3.45Å; L489-W519 VanDerWaalsContact O-CZ2 3.26Å; L489-W519 WeakPolarHBondContact O-CZ2 3.46Å; L489-V522 HydrophobicContact CD2-CG2 3.72Å; L489-V522 HydrophobicContact CG-CG2 3.83Å; L489-I533 HydrophobicContact CD2-CD1 4.49Å
490	E	96.6	Very high	96.9	Very high	61 Å²	61	45.6 Å²	45.6	29%	0.285	22%	0.222	S	C	.	.			trans	-63.8	142.3	169.4	-170.9	176.3	-175.2	0	0	110.9	E492 V493 A494 P520 R525	E490-E492 VanDerWaalsContact C-N 3.25Å; E490-E492 PolarHBondContact O-N 2.86Å; E490-V493 HydrophobicContact CB-CB 4.45Å; E490-V493 HydrophobicContact CB-CG2 4.23Å; E490-V493 PolarHBondContact O-N 3.44Å; E490-V493 VanDerWaalsContact O-N 3.14Å; E490-A494 WeakPolarHBondContact O-CB 3.43Å; E490-A494 PolarHBondContact O-N 3.27Å; E490-P520 HydrophobicContact CB-CB 3.97Å; E490-P520 HydrophobicContact CB-CG 4.19Å; E490-R525 IonicContact OE1-NH2 3.19Å; E490-R525 PolarHBondContact OE1-NH2 3.42Å; E490-R525 IonicContact OE2-CZ 2.75Å; E490-R525 IonicContact OE2-NE 2.91Å; E490-R525 PolarHBondContact OE2-NE 3.41Å; E490-R525 IonicContact OE2-NH2 2.71Å; E490-R525 PolarHBondContact OE2-NH2 2.83Å
491	S	96.4	Very high	96.9	Very high	58 Å²	58	42.4 Å²	42.4	41%	0.406	21%	0.21	S	C	.	.	H	α-helix	trans	-54.8	-39.5	-176.1	-57.3	0	0	0	0	113.5	A494 Q495	S491-A494 PolarHBondContact O-N 2.91Å; S491-Q495 WeakPolarHBondContact O-CB 3.48Å; S491-Q495 VanDerWaalsContact O-CG 3.27Å; S491-Q495 WeakPolarHBondContact O-CG 3.36Å; S491-Q495 PolarHBondContact O-N 3.36Å
492	E	95.9	Very high	96.9	Very high	45 Å²	45	39.4 Å²	39.4	21%	0.21	19%	0.194	C	C	.	.	H	α-helix	trans	-65.8	-47.4	179	-170.2	-174.4	-164.3	0	0	112	K348 E490 A494 Q495 H496 R525 P531	K348-E492 VanDerWaalsContact NZ-CD 3.3Å; K348-E492 VanDerWaalsContact NZ-CG 3.34Å; K348-E492 IonicContact NZ-OE1 3.95Å; K348-E492 PolarHBondContact NZ-OE1 3.27Å; E490-E492 VanDerWaalsContact C-N 3.25Å; E490-E492 PolarHBondContact O-N 2.86Å; E492-A494 VanDerWaalsContact C-N 3.34Å; E492-A494 PolarHBondContact O-N 3.01Å; E492-Q495 PolarHBondContact O-N 3.34Å; E492-H496 PolarHBondContact O-N 3.13Å; E492-R525 IonicContact OE2-CZ 3.58Å; E492-R525 IonicContact OE2-NH1 3.62Å; E492-R525 PolarHBondContact OE2-NH1 3.49Å; E492-R525 IonicContact OE2-NH2 3.99Å; E492-R525 PolarHBondContact OE2-NH2 3.32Å; E492-P531 HydrophobicContact CG-CB 4.06Å
493	V	97.4	Very high	96.7	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-44.4	175.9	176.1	0	0	0	0	110.2	L489 E490 Q495 H496 L497 P531 I533	L489-V493 HydrophobicContact CD2-CG1 4.08Å; E490-V493 HydrophobicContact CB-CB 4.45Å; E490-V493 HydrophobicContact CB-CG2 4.23Å; E490-V493 PolarHBondContact O-N 3.44Å; E490-V493 VanDerWaalsContact O-N 3.14Å; V493-Q495 VanDerWaalsContact C-N 3.34Å; V493-Q495 PolarHBondContact O-N 2.77Å; V493-H496 WeakPolarHBondContact O-CB 3.35Å; V493-H496 PolarHBondContact O-N 3.05Å; V493-L497 HydrophobicContact CG1-CD1 4.16Å; V493-L497 HydrophobicContact CG1-CG 4.27Å; V493-L497 WeakPolarHBondContact O-CG 3.37Å; V493-L497 PolarHBondContact O-N 3.21Å; V493-P531 HydrophobicContact CG2-CB 4.26Å; V493-I533 HydrophobicContact CG1-CD1 4.25Å; V493-I533 HydrophobicContact CG1-CG2 3.63Å; V493-I533 HydrophobicContact CG2-CG2 4.22Å
494	A	97.9	Very high	96.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-40.3	178.1	0	0	0	0	0	112.6	Y480 L483 V484 L489 E490 S491 E492 A498	Y480-A494 WeakPolarHBondContact CB-O 3.39Å; L483-A494 HydrophobicContact CB-CB 3.88Å; L483-A494 HydrophobicContact CD1-CB 4.47Å; L483-A494 WeakPolarHBondContact CD1-O 3.25Å; V484-A494 HydrophobicContact CG2-CB 3.53Å; L489-A494 HydrophobicContact CB-CB 4.3Å; E490-A494 WeakPolarHBondContact O-CB 3.43Å; E490-A494 PolarHBondContact O-N 3.27Å; S491-A494 PolarHBondContact O-N 2.91Å; E492-A494 VanDerWaalsContact C-N 3.34Å; E492-A494 PolarHBondContact O-N 3.01Å; A494-A498 VanDerWaalsContact O-CB 3.32Å; A494-A498 WeakPolarHBondContact O-CB 3.48Å; A494-A498 PolarHBondContact O-N 3.45Å
495	Q	96.8	Very high	96.6	Very high	90 Å²	90	33.4 Å²	33.4	42%	0.421	17%	0.17	S	C	.	.	H	α-helix	trans	-63.8	-47.3	175	-75.5	171.5	8.8	0	0	111.2	Y480 S491 E492 V493 L497 A498 S499	Y480-Q495 HydrophobicContact CD1-CG 4.14Å; Y480-Q495 HydrophobicContact CD2-CG 3.65Å; Y480-Q495 HydrophobicContact CE2-CG 4.14Å; Y480-Q495 HydrophobicContact CG-CG 3.66Å; S491-Q495 WeakPolarHBondContact O-CB 3.48Å; S491-Q495 VanDerWaalsContact O-CG 3.27Å; S491-Q495 WeakPolarHBondContact O-CG 3.36Å; S491-Q495 PolarHBondContact O-N 3.36Å; E492-Q495 PolarHBondContact O-N 3.34Å; V493-Q495 VanDerWaalsContact C-N 3.34Å; V493-Q495 PolarHBondContact O-N 2.77Å; Q495-L497 PolarHBondContact O-N 3.19Å; Q495-A498 PolarHBondContact O-N 2.81Å; Q495-S499 PolarHBondContact O-N 2.9Å; Q495-S499 PolarHBondContact O-OG 3.14Å; Q495-S499 VanDerWaalsContact O-OG 3.12Å
496	H	96.6	Very high	96.6	Very high	11 Å²	11	28.9 Å²	28.9	5%	0.051	15%	0.148	C	C	.	.	H	α-helix	trans	-56.5	-48.5	175.8	165.3	58.2	0	0	0	112.3	E492 V493 A498 S499 T500 P531 Y532 E536	E492-H496 PolarHBondContact O-N 3.13Å; V493-H496 WeakPolarHBondContact O-CB 3.35Å; V493-H496 PolarHBondContact O-N 3.05Å; H496-A498 VanDerWaalsContact C-N 3.33Å; H496-A498 PolarHBondContact O-N 2.97Å; H496-S499 PolarHBondContact O-N 3.16Å; H496-S499 PolarHBondContact O-OG 3.29Å; H496-T500 PolarHBondContact CE1-OG1 3.04Å; H496-T500 PolarHBondContact ND1-OG1 3.46Å; H496-T500 VanDerWaalsContact O-CB 3.24Å; H496-T500 WeakPolarHBondContact O-CB 3.34Å; H496-T500 PolarHBondContact O-N 3.36Å; H496-T500 PolarHBondContact O-OG1 3.42Å; H496-P531 HydrophobicContact CB-CB 3.74Å; H496-P531 HydrophobicContact CB-CG 3.73Å; H496-P531 PolarHBondContact CD2-O 2.84Å; H496-Y532 AromaticContact CE1-CD1 3.67Å; H496-Y532 AromaticContact CE1-CE1 3.37Å; H496-Y532 WeakPolarHBondContact CE1-CE1 3.18Å; H496-Y532 AromaticContact NE2-CD1 3.43Å; H496-Y532 WeakPolarHBondContact NE2-CD1 3.39Å; H496-Y532 AromaticContact NE2-CE1 3.65Å; H496-E536 IonicContact CD2-OE1 3.07Å; H496-E536 IonicContact CD2-OE2 2.84Å; H496-E536 IonicContact CE1-OE1 3.1Å; H496-E536 IonicContact NE2-OE1 2.91Å; H496-E536 PolarHBondContact NE2-OE1 3.37Å; H496-E536 IonicContact NE2-OE2 3.33Å; H496-E536 PolarHBondContact NE2-OE2 3.08Å
497	L	97.9	Very high	96.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.5	-41.8	179.6	-66.6	-177.7	0	0	0	111.3	L483 L489 V493 Q495 S499 T500 Y501 A505 V508 I533 E536	L483-L497 HydrophobicContact CD1-CB 4.15Å; L489-L497 HydrophobicContact CD1-CD1 3.99Å; V493-L497 HydrophobicContact CG1-CD1 4.16Å; V493-L497 HydrophobicContact CG1-CG 4.27Å; V493-L497 WeakPolarHBondContact O-CG 3.37Å; V493-L497 PolarHBondContact O-N 3.21Å; Q495-L497 PolarHBondContact O-N 3.19Å; L497-S499 PolarHBondContact O-N 3.5Å; L497-T500 PolarHBondContact O-N 3.19Å; L497-Y501 HydrophobicContact CB-CD2 4.45Å; L497-Y501 HydrophobicContact CD2-CD2 3.81Å; L497-Y501 HydrophobicContact CD2-CE2 3.65Å; L497-Y501 PolarHBondContact O-N 3.4Å; L497-A505 HydrophobicContact CB-CB 3.96Å; L497-A505 WeakPolarHBondContact O-CB 3.48Å; L497-V508 HydrophobicContact CD1-CG1 4.34Å; L497-V508 HydrophobicContact CD2-CG1 3.92Å; L497-I533 HydrophobicContact CD1-CD1 4.03Å; L497-E536 HydrophobicContact CD2-CG 3.77Å
498	A	97.4	Very high	96.6	Very high	6 Å²	6	24.3 Å²	24.3	5%	0.05	13%	0.125	C	C	.	.	H	α-helix	trans	-64.5	-36.1	178.1	0	0	0	0	0	112.9	W475 L479 L483 A494 Q495 H496 G502	W475-A498 VanDerWaalsContact CD1-O 3.31Å; W475-A498 PolarHBondContact NE1-O 3.43Å; L479-A498 HydrophobicContact CB-CB 4.41Å; L479-A498 HydrophobicContact CD2-CB 3.68Å; L483-A498 HydrophobicContact CD1-CB 4.29Å; A494-A498 VanDerWaalsContact O-CB 3.32Å; A494-A498 WeakPolarHBondContact O-CB 3.48Å; A494-A498 PolarHBondContact O-N 3.45Å; Q495-A498 PolarHBondContact O-N 2.81Å; H496-A498 VanDerWaalsContact C-N 3.33Å; H496-A498 PolarHBondContact O-N 2.97Å; A498-G502 WeakPolarHBondContact O-CA 3.29Å; A498-G502 PolarHBondContact O-N 2.95Å
499	S	95.1	Very high	96.6	Very high	45 Å²	45	24.2 Å²	24.2	32%	0.315	12%	0.123	S	C	.	.	H	α-helix	trans	-79.5	-28.3	175.6	55.7	0	0	0	0	113.1	H153 Q495 H496 L497	H153-S499 CarbonylContact C-O 3.58Å; H153-S499 VanDerWaalsContact C-O 3.23Å; H153-S499 CarbonylContact O-C 3.52Å; Q495-S499 PolarHBondContact O-N 2.9Å; Q495-S499 PolarHBondContact O-OG 3.14Å; Q495-S499 VanDerWaalsContact O-OG 3.12Å; H496-S499 PolarHBondContact O-N 3.16Å; H496-S499 PolarHBondContact O-OG 3.29Å; L497-S499 PolarHBondContact O-N 3.5Å
500	T	96.6	Very high	96.6	Very high	4 Å²	4	31 Å²	31	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-91.4	-36.3	-174.3	-61.9	0	0	0	0	114	L154 R227 H496 L497	L154-T500 WeakPolarHBondContact CD2-O 3.44Å; R227-T500 HydrophobicContact CG-CG2 4.18Å; R227-T500 PolarHBondContact NE-O 2.92Å; R227-T500 PolarHBondContact NH2-O 2.83Å; H496-T500 PolarHBondContact CE1-OG1 3.04Å; H496-T500 PolarHBondContact ND1-OG1 3.46Å; H496-T500 VanDerWaalsContact O-CB 3.24Å; H496-T500 WeakPolarHBondContact O-CB 3.34Å; H496-T500 PolarHBondContact O-N 3.36Å; H496-T500 PolarHBondContact O-OG1 3.42Å; L497-T500 PolarHBondContact O-N 3.19Å
501	Y	97.4	Very high	96.6	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-115.9	-8.9	-174.6	-58.1	-84.5	0	0	0	112.9	R227 L497 D503 R504 V508 E536 Y539	R227-Y501 VanDerWaalsContact NH2-CD1 3.27Å; L497-Y501 HydrophobicContact CB-CD2 4.45Å; L497-Y501 HydrophobicContact CD2-CD2 3.81Å; L497-Y501 HydrophobicContact CD2-CE2 3.65Å; L497-Y501 PolarHBondContact O-N 3.4Å; Y501-D503 PolarHBondContact O-N 3.27Å; Y501-R504 VanDerWaalsContact O-CB 3.29Å; Y501-R504 WeakPolarHBondContact O-CB 3.44Å; Y501-R504 PolarHBondContact O-N 3Å; Y501-V508 HydrophobicContact CD1-CG2 3.96Å; Y501-V508 HydrophobicContact CD2-CG2 4.11Å; Y501-V508 HydrophobicContact CE1-CG2 4.25Å; Y501-V508 HydrophobicContact CE2-CG2 4.39Å; Y501-V508 HydrophobicContact CG-CG2 3.91Å; Y501-E536 HydrophobicContact CE2-CG 3.86Å; Y501-E536 VanDerWaalsContact CE2-OE1 3.24Å; Y501-E536 WeakPolarHBondContact CE2-OE1 3.42Å; Y501-E536 WeakPolarHBondContact OH-CB 3.26Å; Y501-E536 WeakPolarHBondContact OH-CG 3.04Å; Y501-E536 PolarHBondContact OH-OE1 3.21Å; Y501-Y539 AromaticContact CD1-CD1 3.86Å; Y501-Y539 HydrophobicContact CD1-CD1 3.86Å; Y501-Y539 AromaticContact CD1-CE1 3.77Å; Y501-Y539 HydrophobicContact CD1-CE1 3.77Å; Y501-Y539 AromaticContact CE1-CD1 3.7Å; Y501-Y539 HydrophobicContact CE1-CD1 3.7Å; Y501-Y539 HydrophobicContact CE1-CE1 4.05Å
502	G	97.1	Very high	96.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	61.4	-129.5	179.9	0	0	0	0	0	111.9	H153 G471 A498 R504 A505	H153-G502 PolarHBondContact CD2-N 3.03Å; G471-G502 CarbonylContact O-C 3.59Å; G471-G502 VanDerWaalsContact O-CA 3.27Å; G471-G502 WeakPolarHBondContact O-CA 3.47Å; A498-G502 WeakPolarHBondContact O-CA 3.29Å; A498-G502 PolarHBondContact O-N 2.95Å; G502-R504 PolarHBondContact O-N 3.33Å; G502-A505 WeakPolarHBondContact O-CB 3.48Å; G502-A505 PolarHBondContact O-N 3.15Å
503	D	94.1	Very high	96.4	Very high	12 Å²	12	31.4 Å²	31.4	6%	0.064	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-66	-20.6	174.8	74.1	-10.3	0	0	0	113.9	G471 H474 Y501 A505 F506	G471-D503 WeakPolarHBondContact CA-OD1 3.49Å; G471-D503 PolarHBondContact O-N 3.42Å; H474-D503 HydrophobicContact CB-CB 3.85Å; H474-D503 IonicContact CD2-OD2 2.83Å; Y501-D503 PolarHBondContact O-N 3.27Å; D503-A505 PolarHBondContact O-N 3.42Å; D503-F506 WeakPolarHBondContact O-CD2 3.24Å
504	R	95.4	Very high	96.2	Very high	54 Å²	54	36 Å²	36	20%	0.204	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-73.8	-10	174.6	-57.2	-57.3	112.2	173.7	12.9	113	E470 Y501 G502 F506 E507 V508 Y539	E470-R504 HydrophobicContact CG-CG 4.45Å; E470-R504 VanDerWaalsContact OE1-CD 3.24Å; E470-R504 WeakPolarHBondContact OE1-CD 3.45Å; E470-R504 WeakPolarHBondContact OE1-CG 3.34Å; E470-R504 IonicContact OE1-NE 2.98Å; Y501-R504 VanDerWaalsContact O-CB 3.29Å; Y501-R504 WeakPolarHBondContact O-CB 3.44Å; Y501-R504 PolarHBondContact O-N 3Å; G502-R504 PolarHBondContact O-N 3.33Å; R504-F506 PolarHBondContact O-N 3.06Å; R504-F506 VanDerWaalsContact O-N 3.13Å; R504-E507 WeakPolarHBondContact CD-OE1 3.48Å; R504-E507 IonicContact CZ-OE1 3.69Å; R504-E507 IonicContact NE-OE1 3.33Å; R504-E507 IonicContact NH1-OE1 2.75Å; R504-E507 PolarHBondContact NH1-OE1 3.48Å; R504-E507 WeakPolarHBondContact O-CA 3.41Å; R504-E507 WeakPolarHBondContact O-CB 3.29Å; R504-E507 PolarHBondContact O-N 2.89Å; R504-V508 PolarHBondContact O-N 3.19Å; R504-Y539 WeakPolarHBondContact CB-OH 3.25Å
505	A	97.3	Very high	96	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55.6	-31.5	175.6	0	0	0	0	0	112.8	L479 L483 L497 G502 D503 E507 V508 A509	L479-A505 HydrophobicContact CD2-CB 4.18Å; L483-A505 HydrophobicContact CD1-CB 3.73Å; L483-A505 HydrophobicContact CD2-CB 4.25Å; L497-A505 HydrophobicContact CB-CB 3.96Å; L497-A505 WeakPolarHBondContact O-CB 3.48Å; G502-A505 WeakPolarHBondContact O-CB 3.48Å; G502-A505 PolarHBondContact O-N 3.15Å; D503-A505 PolarHBondContact O-N 3.42Å; A505-E507 VanDerWaalsContact C-N 3.33Å; A505-E507 PolarHBondContact O-N 2.79Å; A505-V508 PolarHBondContact O-N 2.88Å; A505-A509 WeakPolarHBondContact O-CB 3.49Å; A505-A509 PolarHBondContact O-N 3.04Å
506	F	96.4	Very high	95.7	Very high	47 Å²	47	37 Å²	37	21%	0.206	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-33.7	174.5	-67.9	-71.2	0	0	0	112.8	L479 R482 L483 Y487 D503 R504 K510	L479-F506 HydrophobicContact CD1-CE2 3.94Å; L479-F506 HydrophobicContact CD2-CE2 4.08Å; L479-F506 HydrophobicContact CD2-CZ 4.25Å; L479-F506 HydrophobicContact CG-CE2 3.89Å; L479-F506 HydrophobicContact CG-CZ 4.1Å; R482-F506 HydrophobicContact CB-CE1 4.04Å; R482-F506 HydrophobicContact CB-CZ 3.97Å; L483-F506 HydrophobicContact CD2-CD1 3.53Å; L483-F506 HydrophobicContact CD2-CE1 3.69Å; L483-F506 HydrophobicContact CD2-CG 4.11Å; L483-F506 HydrophobicContact CD2-CZ 4.38Å; L483-F506 HydrophobicContact CG-CE1 4.25Å; Y487-F506 AromaticContact CE2-CD1 3.8Å; Y487-F506 HydrophobicContact CE2-CD1 3.8Å; Y487-F506 HydrophobicContact CE2-CE1 4.36Å; D503-F506 WeakPolarHBondContact O-CD2 3.24Å; R504-F506 PolarHBondContact O-N 3.06Å; R504-F506 VanDerWaalsContact O-N 3.13Å; F506-K510 WeakPolarHBondContact O-CG 2.84Å; F506-K510 PolarHBondContact O-N 2.94Å
507	E	95.4	Very high	95.5	Very high	68 Å²	68	43.5 Å²	43.5	32%	0.318	24%	0.236	S	C	.	.	H	α-helix	trans	-69.1	-39.2	175.2	-62.6	-173.4	-151.3	0	0	111.2	R504 A505 K510 I511 Y539	R504-E507 WeakPolarHBondContact CD-OE1 3.48Å; R504-E507 IonicContact CZ-OE1 3.69Å; R504-E507 IonicContact NE-OE1 3.33Å; R504-E507 IonicContact NH1-OE1 2.75Å; R504-E507 PolarHBondContact NH1-OE1 3.48Å; R504-E507 WeakPolarHBondContact O-CA 3.41Å; R504-E507 WeakPolarHBondContact O-CB 3.29Å; R504-E507 PolarHBondContact O-N 2.89Å; A505-E507 VanDerWaalsContact C-N 3.33Å; A505-E507 PolarHBondContact O-N 2.79Å; E507-K510 PolarHBondContact O-N 3.38Å; E507-I511 WeakPolarHBondContact O-CD1 3.48Å; E507-I511 WeakPolarHBondContact O-CG1 3.35Å; E507-I511 PolarHBondContact O-N 3.25Å; E507-Y539 HydrophobicContact CB-CD2 4.42Å; E507-Y539 HydrophobicContact CB-CE2 3.83Å
508	V	97.2	Very high	95.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-46.7	173.4	-174.2	0	0	0	0	110.6	L497 Y501 R504 A505 K510 I511 A512 I533 A535 E536 Y539	L497-V508 HydrophobicContact CD1-CG1 4.34Å; L497-V508 HydrophobicContact CD2-CG1 3.92Å; Y501-V508 HydrophobicContact CD1-CG2 3.96Å; Y501-V508 HydrophobicContact CD2-CG2 4.11Å; Y501-V508 HydrophobicContact CE1-CG2 4.25Å; Y501-V508 HydrophobicContact CE2-CG2 4.39Å; Y501-V508 HydrophobicContact CG-CG2 3.91Å; R504-V508 PolarHBondContact O-N 3.19Å; A505-V508 PolarHBondContact O-N 2.88Å; V508-K510 VanDerWaalsContact C-N 3.3Å; V508-K510 PolarHBondContact O-N 2.96Å; V508-I511 PolarHBondContact O-N 2.8Å; V508-A512 PolarHBondContact O-N 3.34Å; V508-I533 HydrophobicContact CG1-CD1 4.47Å; V508-A535 HydrophobicContact CG1-CB 4Å; V508-E536 HydrophobicContact CG1-CG 3.87Å; V508-Y539 HydrophobicContact CG2-CD1 3.87Å; V508-Y539 HydrophobicContact CG2-CD2 3.89Å; V508-Y539 HydrophobicContact CG2-CE1 4.31Å; V508-Y539 HydrophobicContact CG2-CE2 4.35Å; V508-Y539 HydrophobicContact CG2-CG 3.65Å
509	A	97	Very high	94.9	Very high	2 Å²	2	61 Å²	61	2%	0.017	30%	0.301	C	S	.	.	H	α-helix	trans	-61.6	-35.8	179.5	0	0	0	0	0	112.8	L483 Y487 L489 A505 I511 A512	L483-A509 HydrophobicContact CD2-CB 3.96Å; Y487-A509 HydrophobicContact CD1-CB 3.84Å; Y487-A509 HydrophobicContact CD2-CB 3.98Å; Y487-A509 HydrophobicContact CE1-CB 4.02Å; Y487-A509 HydrophobicContact CE2-CB 4.19Å; Y487-A509 HydrophobicContact CG-CB 3.84Å; L489-A509 HydrophobicContact CD1-CB 3.82Å; A505-A509 WeakPolarHBondContact O-CB 3.49Å; A505-A509 PolarHBondContact O-N 3.04Å; A509-I511 VanDerWaalsContact C-N 3.26Å; A509-I511 PolarHBondContact O-N 3.2Å; A509-A512 VanDerWaalsContact O-CB 3.3Å; A509-A512 WeakPolarHBondContact O-CB 3.47Å; A509-A512 PolarHBondContact O-N 3.39Å; A509-A512 VanDerWaalsContact O-N 3.16Å
510	K	96.4	Very high	94.8	Very high	144 Å²	144	60 Å²	60	63%	0.626	29%	0.293	S	S	*	.	H	α-helix	trans	-63.7	-29.1	174.5	-75.8	168.3	-173.3	176.1	0	113.6	Y487 F506 E507 V508	Y487-K510 HydrophobicContact CE1-CB 4.47Å; Y487-K510 HydrophobicContact CE1-CG 3.73Å; Y487-K510 WeakPolarHBondContact OH-CE 3.03Å; Y487-K510 WeakPolarHBondContact OH-CG 3.18Å; F506-K510 WeakPolarHBondContact O-CG 2.84Å; F506-K510 PolarHBondContact O-N 2.94Å; E507-K510 PolarHBondContact O-N 3.38Å; V508-K510 VanDerWaalsContact C-N 3.3Å; V508-K510 PolarHBondContact O-N 2.96Å
511	I	95.9	Very high	94.7	Very high	50 Å²	50	63.9 Å²	63.9	26%	0.256	31%	0.313	S	S	.	.	H	α-helix	trans	-82.3	-20.9	178.1	-60.4	162.3	0	0	0	110.8	E507 V508 A509 Q513 A535 V538 Y539	E507-I511 WeakPolarHBondContact O-CD1 3.48Å; E507-I511 WeakPolarHBondContact O-CG1 3.35Å; E507-I511 PolarHBondContact O-N 3.25Å; V508-I511 PolarHBondContact O-N 2.8Å; A509-I511 VanDerWaalsContact C-N 3.26Å; A509-I511 PolarHBondContact O-N 3.2Å; I511-Q513 PolarHBondContact O-N 2.73Å; I511-A535 HydrophobicContact CB-CB 4.29Å; I511-A535 HydrophobicContact CG2-CB 4.28Å; I511-V538 HydrophobicContact CG2-CB 3.91Å; I511-V538 HydrophobicContact CG2-CG1 3.82Å; I511-V538 HydrophobicContact CG2-CG2 4.29Å; I511-Y539 HydrophobicContact CD1-CD2 4.1Å
512	A	95.9	Very high	94.6	Very high	14 Å²	14	64.6 Å²	64.6	12%	0.116	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-62.1	127.3	-174.1	0	0	0	0	0	112.8	V508 A509 V522 I533 A535	V508-A512 PolarHBondContact O-N 3.34Å; A509-A512 VanDerWaalsContact O-CB 3.3Å; A509-A512 WeakPolarHBondContact O-CB 3.47Å; A509-A512 PolarHBondContact O-N 3.39Å; A509-A512 VanDerWaalsContact O-N 3.16Å; A512-V522 HydrophobicContact CB-CB 4.29Å; A512-V522 HydrophobicContact CB-CG2 4.27Å; A512-I533 HydrophobicContact CB-CD1 4.16Å; A512-A535 HydrophobicContact CB-CB 3.97Å
513	Q	92.6	Very high	94.5	Very high	107 Å²	107	64.8 Å²	64.8	50%	0.5	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-77.3	152.4	178	-63.2	-174.2	-4.5	0	0	111.7	I511 V522 G523	I511-Q513 PolarHBondContact O-N 2.73Å; Q513-V522 WeakPolarHBondContact O-CA 3.39Å; Q513-G523 PolarHBondContact O-N 3.31Å
514	V	94.5	Very high	94.6	Very high	99 Å²	99	67.8 Å²	67.8	60%	0.6	33%	0.332	S	S	*	.	B	Isolated β-bridge	trans	-62.8	138.7	170.8	-66.5	0	0	0	0	111.1	I521 V522 K524	V514-I521 CarbonylContact C-O 3.49Å; V514-I521 WeakPolarHBondContact CA-O 3.2Å; V514-V522 HydrophobicContact CG1-CG1 4.1Å; V514-K524 WeakPolarHBondContact O-CE 3.37Å
515	T	92.3	Very high	94.6	Very high	30 Å²	30	68 Å²	68	18%	0.184	33%	0.333	C	S	.	.			trans	-83.5	-22.3	-177.1	67	0	0	0	0	112.9	K517 P520 I521 K524	T515-K517 WeakPolarHBondContact OG1-CB 3.35Å; T515-K517 PolarHBondContact OG1-N 3.25Å; T515-P520 HydrophobicContact CG2-CG 4.39Å; T515-P520 PolarHBondContact OG1-O 2.83Å; T515-I521 PolarHBondContact N-O 2.88Å; T515-I521 PolarHBondContact OG1-O 2.83Å; T515-K524 HydrophobicContact CG2-CG 4.27Å
516	G	91.9	Very high	94.5	Very high	80 Å²	80	68.7 Å²	68.7	83%	0.825	34%	0.337	S	S	*	.	S	Bend	trans	79.4	0.3	-168.8	0	0	0	0	0	114.1
517	K	91	Very high	94.3	Very high	149 Å²	149	66.7 Å²	66.7	65%	0.648	33%	0.329	S	S	*	.	S	Bend	trans	-91.6	159.8	174.4	-59.3	-177.5	179.5	-177.8	0	110.5	T515 W519	T515-K517 WeakPolarHBondContact OG1-CB 3.35Å; T515-K517 PolarHBondContact OG1-N 3.25Å; K517-W519 VanDerWaalsContact C-N 3.25Å; K517-W519 PolarHBondContact O-N 3.46Å
518	R	92.2	Very high	93.9	Very high	245 Å²	245	66.2 Å²	66.2	93%	0.925	33%	0.333	S	S	*	.	S	Bend	trans	-63.5	-36.1	169.7	-177.2	178.4	178.2	-178.7	0.1	111.5
519	W	90.8	Very high	93.4	Very high	129 Å²	129	68.2 Å²	68.2	49%	0.489	34%	0.342	S	S	.	.	S	Bend	trans	-154.8	141.2	175	-173.5	-99	0	0	0	109.5	V484 L489 K517 I521	V484-W519 HydrophobicContact CG1-CH2 3.81Å; V484-W519 HydrophobicContact CG1-CZ2 4.14Å; L489-W519 WeakPolarHBondContact O-CH2 3.45Å; L489-W519 VanDerWaalsContact O-CZ2 3.26Å; L489-W519 WeakPolarHBondContact O-CZ2 3.46Å; K517-W519 VanDerWaalsContact C-N 3.25Å; K517-W519 PolarHBondContact O-N 3.46Å; W519-I521 HydrophobicContact CE3-CG1 4.29Å; W519-I521 HydrophobicContact CZ3-CG1 4.49Å
520	P	94.4	Very high	93.3	Very high	23 Å²	23	68.5 Å²	68.5	15%	0.149	34%	0.343	C	S	.	.	S	Bend	cis	-64.3	151.2	-15.9	29.1	-34.6	0	0	0	111.6	E490 T515	E490-P520 HydrophobicContact CB-CB 3.97Å; E490-P520 HydrophobicContact CB-CG 4.19Å; T515-P520 HydrophobicContact CG2-CG 4.39Å; T515-P520 PolarHBondContact OG1-O 2.83Å
521	I	94.3	Very high	93.3	Very high	85 Å²	85	62.4 Å²	62.4	44%	0.436	32%	0.318	S	S	.	.	S	Bend	trans	-73.4	-44.3	-176.1	-57.6	178.6	0	0	0	110.4	G488 V514 T515 W519	G488-I521 PolarHBondContact O-N 3.11Å; V514-I521 CarbonylContact C-O 3.49Å; V514-I521 WeakPolarHBondContact CA-O 3.2Å; T515-I521 PolarHBondContact N-O 2.88Å; T515-I521 PolarHBondContact OG1-O 2.83Å; W519-I521 HydrophobicContact CE3-CG1 4.29Å; W519-I521 HydrophobicContact CZ3-CG1 4.49Å
522	V	95.5	Very high	93.3	Very high	18 Å²	18	60.1 Å²	60.1	11%	0.109	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-126.9	164.9	179	-53.7	0	0	0	0	110.7	Y487 L489 A512 Q513 V514	Y487-V522 WeakPolarHBondContact O-CG2 3.47Å; L489-V522 HydrophobicContact CD2-CG2 3.72Å; L489-V522 HydrophobicContact CG-CG2 3.83Å; A512-V522 HydrophobicContact CB-CB 4.29Å; A512-V522 HydrophobicContact CB-CG2 4.27Å; Q513-V522 WeakPolarHBondContact O-CA 3.39Å; V514-V522 HydrophobicContact CG1-CG1 4.1Å
523	G	93.7	Very high	93.4	Very high	5 Å²	5	59.5 Å²	59.5	5%	0.052	30%	0.301	C	S	.	.			trans	92.9	73.6	176.8	0	0	0	0	0	112.4	Q513 R525	Q513-G523 PolarHBondContact O-N 3.31Å; G523-R525 PolarHBondContact O-N 2.92Å
524	K	96.1	Very high	93.7	Very high	74 Å²	74	55.7 Å²	55.7	32%	0.322	28%	0.283	S	S	.	.			trans	-66.8	118	169.4	-65.9	-178.5	-175.5	170.2	0	109.3	V514 T515 I533 E534	V514-K524 WeakPolarHBondContact O-CE 3.37Å; T515-K524 HydrophobicContact CG2-CG 4.27Å; K524-I533 CarbonylContact O-C 3.58Å; K524-I533 WeakPolarHBondContact O-CA 3.38Å; K524-I533 VanDerWaalsContact O-CB 3.32Å; K524-I533 WeakPolarHBondContact O-CB 3.18Å; K524-E534 HydrophobicContact CB-CG 4.19Å; K524-E534 PolarHBondContact O-N 2.9Å
525	R	95.9	Very high	93.9	Very high	58 Å²	58	51.2 Å²	51.2	22%	0.219	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-66.2	146.4	175	-66.3	-176.4	179.5	-143.6	-5.9	110.4	E490 E492 G523 V527 S528 F530 Y532 I533	E490-R525 IonicContact OE1-NH2 3.19Å; E490-R525 PolarHBondContact OE1-NH2 3.42Å; E490-R525 IonicContact OE2-CZ 2.75Å; E490-R525 IonicContact OE2-NE 2.91Å; E490-R525 PolarHBondContact OE2-NE 3.41Å; E490-R525 IonicContact OE2-NH2 2.71Å; E490-R525 PolarHBondContact OE2-NH2 2.83Å; E492-R525 IonicContact OE2-CZ 3.58Å; E492-R525 IonicContact OE2-NH1 3.62Å; E492-R525 PolarHBondContact OE2-NH1 3.49Å; E492-R525 IonicContact OE2-NH2 3.99Å; E492-R525 PolarHBondContact OE2-NH2 3.32Å; G523-R525 PolarHBondContact O-N 2.92Å; R525-V527 WeakPolarHBondContact CB-O 3.45Å; R525-S528 WeakPolarHBondContact CD-O 3.37Å; R525-S528 PolarHBondContact NH1-O 3.34Å; R525-F530 WeakPolarHBondContact CD-O 3.33Å; R525-F530 PolarHBondContact NH1-O 2.83Å; R525-Y532 CarbonylContact C-O 2.9Å; R525-Y532 VanDerWaalsContact CA-O 3.23Å; R525-Y532 WeakPolarHBondContact CA-O 3.49Å; R525-I533 HydrophobicContact CG-CG2 4.45Å
526	L	95.1	Very high	94.1	Very high	16 Å²	16	49.8 Å²	49.8	8%	0.084	25%	0.248	C	C	.	.	S	Bend	trans	-72.6	-34.2	172.1	-72.1	170.4	0	0	0	111.7	Y532 E534 V537 A569 R572 I573	L526-Y532 PolarHBondContact N-O 3.35Å; L526-E534 HydrophobicContact CD2-CG 3.99Å; L526-V537 HydrophobicContact CD1-CG2 3.88Å; L526-V537 HydrophobicContact CD2-CG2 3.98Å; L526-V537 HydrophobicContact CG-CG2 4.49Å; L526-A569 HydrophobicContact CB-CB 4.15Å; L526-R572 HydrophobicContact CD2-CG 4.18Å; L526-I573 HydrophobicContact CD1-CD1 4.18Å; L526-I573 HydrophobicContact CD1-CG1 4.07Å; L526-I573 HydrophobicContact CD2-CG1 3.95Å
527	V	92.9	Very high	94.5	Very high	5 Å²	5	46 Å²	46	3%	0.03	21%	0.209	C	C	.	.	S	Bend	trans	-149.7	142.5	179.4	60	0	0	0	0	107.5	R525 E529 F530 L558 A565	R525-V527 WeakPolarHBondContact CB-O 3.45Å; V527-E529 WeakPolarHBondContact CG2-OE2 3.43Å; V527-E529 PolarHBondContact O-N 3.46Å; V527-F530 HydrophobicContact CG1-CB 3.92Å; V527-F530 HydrophobicContact CG1-CD2 3.87Å; V527-F530 HydrophobicContact CG1-CG 4.33Å; V527-L558 HydrophobicContact CG1-CD1 4.4Å; V527-L558 HydrophobicContact CG1-CD2 4.01Å; V527-A565 HydrophobicContact CG1-CB 4.48Å; V527-A565 HydrophobicContact CG2-CB 4.12Å
528	S	86.6	Confident	94.8	Very high	58 Å²	58	40.1 Å²	40.1	41%	0.406	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-40	-166.5	19.5	0	0	0	0	113.5	R525 F530	R525-S528 WeakPolarHBondContact CD-O 3.37Å; R525-S528 PolarHBondContact NH1-O 3.34Å; S528-F530 VanDerWaalsContact C-N 3.33Å; S528-F530 PolarHBondContact O-N 3.46Å
529	E	86.9	Confident	95.1	Very high	42 Å²	42	28.7 Å²	28.7	20%	0.196	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-15.2	-167.4	-58.2	68.4	-143.5	0	0	112.8	V527 H665	V527-E529 WeakPolarHBondContact CG2-OE2 3.43Å; V527-E529 PolarHBondContact O-N 3.46Å; E529-H665 IonicContact OE1-CE1 3.63Å; E529-H665 IonicContact OE1-NE2 3.6Å
530	F	94.1	Very high	95.4	Very high	8 Å²	8	22.6 Å²	22.6	4%	0.035	12%	0.119	C	C	.	.	S	Bend	trans	-118.8	149.3	-175.8	-66.5	-91.2	0	0	0	112.2	M349 R525 V527 S528 Y532 L558 L561 N562 A565	M349-F530 HydrophobicContact CE-CE1 3.6Å; M349-F530 HydrophobicContact CE-CZ 3.54Å; R525-F530 WeakPolarHBondContact CD-O 3.33Å; R525-F530 PolarHBondContact NH1-O 2.83Å; V527-F530 HydrophobicContact CG1-CB 3.92Å; V527-F530 HydrophobicContact CG1-CD2 3.87Å; V527-F530 HydrophobicContact CG1-CG 4.33Å; S528-F530 VanDerWaalsContact C-N 3.33Å; S528-F530 PolarHBondContact O-N 3.46Å; F530-Y532 HydrophobicContact CB-CD2 3.47Å; F530-Y532 VanDerWaalsContact CB-CD2 3.47Å; F530-Y532 HydrophobicContact CB-CE2 3.67Å; F530-Y532 HydrophobicContact CB-CG 4.47Å; F530-Y532 AromaticContact CD1-CE2 3.84Å; F530-Y532 HydrophobicContact CD1-CE2 3.84Å; F530-Y532 HydrophobicContact CG-CD2 4.22Å; F530-Y532 HydrophobicContact CG-CE2 4.01Å; F530-Y532 PolarHBondContact O-N 2.79Å; F530-L558 HydrophobicContact CB-CD1 4.26Å; F530-L558 HydrophobicContact CD1-CD1 3.94Å; F530-L558 HydrophobicContact CD2-CD1 3.64Å; F530-L558 HydrophobicContact CE1-CD1 4.17Å; F530-L558 HydrophobicContact CE2-CD1 3.9Å; F530-L558 HydrophobicContact CG-CD1 3.66Å; F530-L558 HydrophobicContact CZ-CD1 4.15Å; F530-L561 HydrophobicContact CD1-CD1 4.1Å; F530-L561 HydrophobicContact CE1-CB 3.84Å; F530-L561 HydrophobicContact CE1-CD1 3.9Å; F530-L561 HydrophobicContact CZ-CB 4.35Å; F530-N562 HydrophobicContact CE2-CB 4.03Å; F530-N562 HydrophobicContact CZ-CB 3.64Å; F530-A565 HydrophobicContact CD2-CB 3.87Å; F530-A565 HydrophobicContact CE2-CB 3.46Å; F530-A565 VanDerWaalsContact CE2-CB 3.46Å; F530-A565 HydrophobicContact CZ-CB 4.41Å
531	P	95.9	Very high	95.5	Very high	15 Å²	15	22.2 Å²	22.2	10%	0.097	12%	0.116	C	C	.	.			trans	-78	13.6	-175.1	33.5	-37.3	0	0	0	114.3	E492 V493 H496	E492-P531 HydrophobicContact CG-CB 4.06Å; V493-P531 HydrophobicContact CG2-CB 4.26Å; H496-P531 HydrophobicContact CB-CB 3.74Å; H496-P531 HydrophobicContact CB-CG 3.73Å; H496-P531 PolarHBondContact CD2-O 2.84Å
532	Y	97.3	Very high	95.5	Very high	3 Å²	3	23.6 Å²	23.6	1%	0.012	12%	0.119	C	C	.	.			trans	-80.7	130.5	-177	-53.4	-59.9	0	0	0	111.4	H496 R525 L526 F530 E536 T556 L558 L561	H496-Y532 AromaticContact CE1-CD1 3.67Å; H496-Y532 AromaticContact CE1-CE1 3.37Å; H496-Y532 WeakPolarHBondContact CE1-CE1 3.18Å; H496-Y532 AromaticContact NE2-CD1 3.43Å; H496-Y532 WeakPolarHBondContact NE2-CD1 3.39Å; H496-Y532 AromaticContact NE2-CE1 3.65Å; R525-Y532 CarbonylContact C-O 2.9Å; R525-Y532 VanDerWaalsContact CA-O 3.23Å; R525-Y532 WeakPolarHBondContact CA-O 3.49Å; L526-Y532 PolarHBondContact N-O 3.35Å; F530-Y532 HydrophobicContact CB-CD2 3.47Å; F530-Y532 VanDerWaalsContact CB-CD2 3.47Å; F530-Y532 HydrophobicContact CB-CE2 3.67Å; F530-Y532 HydrophobicContact CB-CG 4.47Å; F530-Y532 AromaticContact CD1-CE2 3.84Å; F530-Y532 HydrophobicContact CD1-CE2 3.84Å; F530-Y532 HydrophobicContact CG-CD2 4.22Å; F530-Y532 HydrophobicContact CG-CE2 4.01Å; F530-Y532 PolarHBondContact O-N 2.79Å; Y532-E536 WeakPolarHBondContact CA-OE2 3.44Å; Y532-T556 HydrophobicContact CD1-CG2 4.12Å; Y532-T556 WeakPolarHBondContact CE1-O 3.23Å; Y532-T556 HydrophobicContact CG-CG2 4.29Å; Y532-T556 PolarHBondContact OH-O 3.25Å; Y532-L558 HydrophobicContact CD2-CB 4.09Å; Y532-L558 HydrophobicContact CD2-CD1 3.96Å; Y532-L558 HydrophobicContact CD2-CD2 4.29Å; Y532-L558 HydrophobicContact CD2-CG 4.34Å; Y532-L558 HydrophobicContact CE2-CB 3.89Å; Y532-L558 HydrophobicContact CE2-CD1 3.75Å; Y532-L558 HydrophobicContact CE2-CG 4.32Å; Y532-L561 HydrophobicContact CE2-CD1 4.3Å; Y532-L561 WeakPolarHBondContact OH-CD1 3.33Å
533	I	98	Very high	95.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-114.7	155.9	-177.6	62.1	170.4	0	0	0	113.2	L489 V493 L497 V508 A512 K524 R525 A535 E536	L489-I533 HydrophobicContact CD2-CD1 4.49Å; V493-I533 HydrophobicContact CG1-CD1 4.25Å; V493-I533 HydrophobicContact CG1-CG2 3.63Å; V493-I533 HydrophobicContact CG2-CG2 4.22Å; L497-I533 HydrophobicContact CD1-CD1 4.03Å; V508-I533 HydrophobicContact CG1-CD1 4.47Å; A512-I533 HydrophobicContact CB-CD1 4.16Å; K524-I533 CarbonylContact O-C 3.58Å; K524-I533 WeakPolarHBondContact O-CA 3.38Å; K524-I533 VanDerWaalsContact O-CB 3.32Å; K524-I533 WeakPolarHBondContact O-CB 3.18Å; R525-I533 HydrophobicContact CG-CG2 4.45Å; I533-A535 HydrophobicContact CD1-CB 3.77Å; I533-A535 HydrophobicContact CG1-CB 4.05Å; I533-A535 PolarHBondContact O-N 2.9Å; I533-A535 VanDerWaalsContact O-N 3.08Å; I533-E536 HydrophobicContact CG1-CG 3.93Å; I533-E536 PolarHBondContact N-OE2 2.89Å; I533-E536 WeakPolarHBondContact O-CB 3.39Å; I533-E536 PolarHBondContact O-N 3.29Å
534	E	98.1	Very high	95.7	Very high	26 Å²	26	23 Å²	23	12%	0.121	11%	0.114	C	C	.	.	H	α-helix	trans	-53.5	-32.7	178.2	-66.9	-174.7	176.6	0	0	113.3	K524 L526 E536 V537 R572 I576	K524-E534 HydrophobicContact CB-CG 4.19Å; K524-E534 PolarHBondContact O-N 2.9Å; L526-E534 HydrophobicContact CD2-CG 3.99Å; E534-E536 PolarHBondContact O-N 3.38Å; E534-V537 WeakPolarHBondContact O-CB 3.43Å; E534-V537 PolarHBondContact O-N 3.27Å; E534-R572 VanDerWaalsContact CD-NE 3.31Å; E534-R572 HydrophobicContact CG-CG 4.49Å; E534-R572 IonicContact OE1-CZ 3.81Å; E534-R572 IonicContact OE1-NE 2.68Å; E534-R572 PolarHBondContact OE1-NE 2.84Å; E534-R572 IonicContact OE1-NH2 3.96Å; E534-R572 PolarHBondContact OE1-NH2 3.22Å; E534-R572 VanDerWaalsContact OE1-NH2 3.1Å; E534-R572 IonicContact OE2-CZ 3.25Å; E534-R572 IonicContact OE2-NE 3.72Å; E534-R572 IonicContact OE2-NH2 2.78Å; E534-R572 PolarHBondContact OE2-NH2 3.05Å; E534-I576 HydrophobicContact CB-CD1 3.68Å; E534-I576 HydrophobicContact CG-CD1 3.75Å
535	A	98.1	Very high	95.8	Very high	6 Å²	6	19.4 Å²	19.4	5%	0.05	10%	0.098	C	C	.	.	H	α-helix	trans	-62.4	-30.7	179.4	0	0	0	0	0	113.1	V508 I511 A512 I533 V537 V538 Y539	V508-A535 HydrophobicContact CG1-CB 4Å; I511-A535 HydrophobicContact CB-CB 4.29Å; I511-A535 HydrophobicContact CG2-CB 4.28Å; A512-A535 HydrophobicContact CB-CB 3.97Å; I533-A535 HydrophobicContact CD1-CB 3.77Å; I533-A535 HydrophobicContact CG1-CB 4.05Å; I533-A535 PolarHBondContact O-N 2.9Å; I533-A535 VanDerWaalsContact O-N 3.08Å; A535-V537 PolarHBondContact O-N 3.24Å; A535-V538 PolarHBondContact O-N 3.25Å; A535-Y539 WeakPolarHBondContact O-CB 3.37Å; A535-Y539 PolarHBondContact O-N 2.95Å
536	E	98.4	Very high	95.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67.2	-28.8	176.3	-68	179	77.9	0	0	111.7	H496 L497 Y501 V508 Y532 I533 E534 Y539 G540	H496-E536 IonicContact CD2-OE1 3.07Å; H496-E536 IonicContact CD2-OE2 2.84Å; H496-E536 IonicContact CE1-OE1 3.1Å; H496-E536 IonicContact NE2-OE1 2.91Å; H496-E536 PolarHBondContact NE2-OE1 3.37Å; H496-E536 IonicContact NE2-OE2 3.33Å; H496-E536 PolarHBondContact NE2-OE2 3.08Å; L497-E536 HydrophobicContact CD2-CG 3.77Å; Y501-E536 HydrophobicContact CE2-CG 3.86Å; Y501-E536 VanDerWaalsContact CE2-OE1 3.24Å; Y501-E536 WeakPolarHBondContact CE2-OE1 3.42Å; Y501-E536 WeakPolarHBondContact OH-CB 3.26Å; Y501-E536 WeakPolarHBondContact OH-CG 3.04Å; Y501-E536 PolarHBondContact OH-OE1 3.21Å; V508-E536 HydrophobicContact CG1-CG 3.87Å; Y532-E536 WeakPolarHBondContact CA-OE2 3.44Å; I533-E536 HydrophobicContact CG1-CG 3.93Å; I533-E536 PolarHBondContact N-OE2 2.89Å; I533-E536 WeakPolarHBondContact O-CB 3.39Å; I533-E536 PolarHBondContact O-N 3.29Å; E534-E536 PolarHBondContact O-N 3.38Å; E536-Y539 PolarHBondContact O-N 3.34Å; E536-G540 PolarHBondContact O-N 3.31Å
537	V	98.5	Very high	96	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.1	-46	175.7	-173.6	0	0	0	0	110.6	L526 E534 A535 Y539 G540 V541 M551 I573 I576 M577	L526-V537 HydrophobicContact CD1-CG2 3.88Å; L526-V537 HydrophobicContact CD2-CG2 3.98Å; L526-V537 HydrophobicContact CG-CG2 4.49Å; E534-V537 WeakPolarHBondContact O-CB 3.43Å; E534-V537 PolarHBondContact O-N 3.27Å; A535-V537 PolarHBondContact O-N 3.24Å; V537-Y539 VanDerWaalsContact C-N 3.34Å; V537-Y539 PolarHBondContact O-N 2.9Å; V537-G540 PolarHBondContact O-N 3.21Å; V537-V541 PolarHBondContact O-N 3.26Å; V537-M551 HydrophobicContact CB-CE 4.28Å; V537-M551 HydrophobicContact CG1-CE 4.47Å; V537-M551 HydrophobicContact CG1-CG 4.37Å; V537-M551 HydrophobicContact CG2-CE 4.22Å; V537-I573 HydrophobicContact CG1-CG2 4.13Å; V537-I573 HydrophobicContact CG2-CG1 4.01Å; V537-I576 HydrophobicContact CB-CB 4.38Å; V537-I576 HydrophobicContact CB-CD1 4.45Å; V537-I576 HydrophobicContact CB-CG2 3.93Å; V537-I576 HydrophobicContact CG1-CB 3.96Å; V537-I576 HydrophobicContact CG1-CG2 3.74Å; V537-I576 HydrophobicContact CG2-CD1 4.46Å; V537-M577 HydrophobicContact CG1-CG 3.51Å
538	V	97.9	Very high	96.3	Very high	25 Å²	25	18 Å²	18	15%	0.152	9%	0.093	C	C	.	.	H	α-helix	trans	-62.6	-43.8	175.6	-179.4	0	0	0	0	110.7	I511 A535 V541 I576 E580	I511-V538 HydrophobicContact CG2-CB 3.91Å; I511-V538 HydrophobicContact CG2-CG1 3.82Å; I511-V538 HydrophobicContact CG2-CG2 4.29Å; A535-V538 PolarHBondContact O-N 3.25Å; V538-V541 PolarHBondContact O-N 3.43Å; V538-I576 HydrophobicContact CG2-CG2 3.64Å; V538-E580 HydrophobicContact CG1-CG 4.36Å; V538-E580 HydrophobicContact CG2-CG 4.33Å
539	Y	97.6	Very high	96.8	Very high	6 Å²	6	16.4 Å²	16.4	2%	0.024	8%	0.081	C	C	.	.	H	α-helix	trans	-67.7	-38.7	178.4	-167.4	-94.1	0	0	0	112.4	Y501 R504 E507 V508 I511 A535 E536 V537 V541 K542 E543	Y501-Y539 AromaticContact CD1-CD1 3.86Å; Y501-Y539 HydrophobicContact CD1-CD1 3.86Å; Y501-Y539 AromaticContact CD1-CE1 3.77Å; Y501-Y539 HydrophobicContact CD1-CE1 3.77Å; Y501-Y539 AromaticContact CE1-CD1 3.7Å; Y501-Y539 HydrophobicContact CE1-CD1 3.7Å; Y501-Y539 HydrophobicContact CE1-CE1 4.05Å; R504-Y539 WeakPolarHBondContact CB-OH 3.25Å; E507-Y539 HydrophobicContact CB-CD2 4.42Å; E507-Y539 HydrophobicContact CB-CE2 3.83Å; V508-Y539 HydrophobicContact CG2-CD1 3.87Å; V508-Y539 HydrophobicContact CG2-CD2 3.89Å; V508-Y539 HydrophobicContact CG2-CE1 4.31Å; V508-Y539 HydrophobicContact CG2-CE2 4.35Å; V508-Y539 HydrophobicContact CG2-CG 3.65Å; I511-Y539 HydrophobicContact CD1-CD2 4.1Å; A535-Y539 WeakPolarHBondContact O-CB 3.37Å; A535-Y539 PolarHBondContact O-N 2.95Å; E536-Y539 PolarHBondContact O-N 3.34Å; V537-Y539 VanDerWaalsContact C-N 3.34Å; V537-Y539 PolarHBondContact O-N 2.9Å; Y539-V541 VanDerWaalsContact C-N 3.25Å; Y539-V541 PolarHBondContact O-N 3.46Å; Y539-K542 HydrophobicContact CD2-CD 4.38Å; Y539-K542 WeakPolarHBondContact O-CA 3.46Å; Y539-K542 VanDerWaalsContact O-CB 3.24Å; Y539-K542 WeakPolarHBondContact O-CB 3.2Å; Y539-K542 PolarHBondContact O-N 2.83Å; Y539-E543 HydrophobicContact CD1-CG 3.98Å; Y539-E543 VanDerWaalsContact CE1-CD 3.48Å; Y539-E543 HydrophobicContact CE1-CG 3.7Å; Y539-E543 WeakPolarHBondContact CE1-OE1 3.33Å; Y539-E543 PolarHBondContact O-N 2.92Å; Y539-E543 VanDerWaalsContact O-N 3.14Å
540	G	97.4	Very high	97.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.8	-31.7	178.7	0	0	0	0	0	113.4	E536 V537 K542 E543 Y544 A545	E536-G540 PolarHBondContact O-N 3.31Å; V537-G540 PolarHBondContact O-N 3.21Å; G540-K542 VanDerWaalsContact C-N 3.31Å; G540-K542 PolarHBondContact O-N 3.18Å; G540-E543 CarbonylContact O-C 3.58Å; G540-E543 VanDerWaalsContact O-C 3.23Å; G540-E543 WeakPolarHBondContact O-CA 3.42Å; G540-E543 PolarHBondContact O-N 3Å; G540-E543 VanDerWaalsContact O-N 3.09Å; G540-Y544 PolarHBondContact O-N 3.33Å; G540-A545 WeakPolarHBondContact O-CB 3.45Å; G540-A545 PolarHBondContact O-N 3.03Å
541	V	97.1	Very high	97.6	Very high	16 Å²	16	14.1 Å²	14.1	10%	0.097	7%	0.07	C	C	.	.	H	α-helix	trans	-63.2	-36.6	171.5	173.2	0	0	0	0	111.6	V537 V538 Y539 E543 Y544 M577 E580 L581	V537-V541 PolarHBondContact O-N 3.26Å; V538-V541 PolarHBondContact O-N 3.43Å; Y539-V541 VanDerWaalsContact C-N 3.25Å; Y539-V541 PolarHBondContact O-N 3.46Å; V541-E543 VanDerWaalsContact C-N 3.26Å; V541-E543 PolarHBondContact O-N 3.34Å; V541-Y544 PolarHBondContact O-N 2.86Å; V541-Y544 VanDerWaalsContact O-N 3.15Å; V541-M577 HydrophobicContact CG2-CE 4.36Å; V541-M577 HydrophobicContact CG2-CG 4.44Å; V541-E580 HydrophobicContact CG1-CB 4.36Å; V541-E580 HydrophobicContact CG2-CB 4.22Å; V541-L581 HydrophobicContact CG1-CD2 3.67Å; V541-L581 HydrophobicContact CG1-CG 4.11Å; V541-L581 HydrophobicContact CG2-CD1 4.42Å; V541-L581 HydrophobicContact CG2-CG 4.39Å
542	K	94.6	Very high	97.7	Very high	114 Å²	114	13.4 Å²	13.4	50%	0.496	7%	0.066	S	C	.	.	H	α-helix	trans	-67.4	-30.2	172.8	-57.2	-178.4	178.1	179.8	0	111.8	Y539 G540 Y544	Y539-K542 HydrophobicContact CD2-CD 4.38Å; Y539-K542 WeakPolarHBondContact O-CA 3.46Å; Y539-K542 VanDerWaalsContact O-CB 3.24Å; Y539-K542 WeakPolarHBondContact O-CB 3.2Å; Y539-K542 PolarHBondContact O-N 2.83Å; G540-K542 VanDerWaalsContact C-N 3.31Å; G540-K542 PolarHBondContact O-N 3.18Å; K542-Y544 PolarHBondContact O-N 3.37Å
543	E	96.1	Very high	97.7	Very high	7 Å²	7	13.2 Å²	13.2	3%	0.033	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	31.7	170.7	-58.1	-180	134.1	0	0	112.7	R227 L230 L234 Y539 G540 V541 A545 R555	R227-E543 IonicContact CZ-OE1 3.94Å; R227-E543 IonicContact CZ-OE2 3.16Å; R227-E543 IonicContact NH1-OE1 2.64Å; R227-E543 PolarHBondContact NH1-OE1 3.03Å; R227-E543 IonicContact NH1-OE2 3.45Å; R227-E543 PolarHBondContact NH1-OE2 2.84Å; R227-E543 IonicContact NH2-OE1 3.11Å; R227-E543 PolarHBondContact NH2-OE1 3.36Å; R227-E543 IonicContact NH2-OE2 2.76Å; L230-E543 HydrophobicContact CD2-CB 4.15Å; L234-E543 HydrophobicContact CD1-CB 4.2Å; L234-E543 HydrophobicContact CD1-CG 3.95Å; Y539-E543 HydrophobicContact CD1-CG 3.98Å; Y539-E543 VanDerWaalsContact CE1-CD 3.48Å; Y539-E543 HydrophobicContact CE1-CG 3.7Å; Y539-E543 WeakPolarHBondContact CE1-OE1 3.33Å; Y539-E543 PolarHBondContact O-N 2.92Å; Y539-E543 VanDerWaalsContact O-N 3.14Å; G540-E543 CarbonylContact O-C 3.58Å; G540-E543 VanDerWaalsContact O-C 3.23Å; G540-E543 WeakPolarHBondContact O-CA 3.42Å; G540-E543 PolarHBondContact O-N 3Å; G540-E543 VanDerWaalsContact O-N 3.09Å; V541-E543 VanDerWaalsContact C-N 3.26Å; V541-E543 PolarHBondContact O-N 3.34Å; E543-A545 VanDerWaalsContact C-N 3.3Å; E543-A545 PolarHBondContact O-N 3.37Å; E543-R555 PolarHBondContact O-NE 3.5Å; E543-R555 PolarHBondContact O-NH2 2.66Å
544	Y	97.2	Very high	97.6	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.008	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	16	174.6	-47.1	-45.4	0	0	0	116.8	P55 R57 F103 L234 N245 G540 V541 K542 R546	P55-Y544 WeakPolarHBondContact O-CE1 3.32Å; P55-Y544 PolarHBondContact O-OH 2.89Å; R57-Y544 HydrophobicContact CB-CD1 4.08Å; F103-Y544 AromaticContact CE2-CD2 3.92Å; F103-Y544 HydrophobicContact CE2-CD2 3.92Å; L234-Y544 HydrophobicContact CD2-CD2 3.81Å; L234-Y544 HydrophobicContact CD2-CE2 3.55Å; N245-Y544 PolarHBondContact ND2-O 3.05Å; G540-Y544 PolarHBondContact O-N 3.33Å; V541-Y544 PolarHBondContact O-N 2.86Å; V541-Y544 VanDerWaalsContact O-N 3.15Å; K542-Y544 PolarHBondContact O-N 3.37Å; Y544-R546 PolarHBondContact O-N 3.15Å
545	A	98	Very high	97.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.061	C	C	.	.			trans	-63	132.1	170.3	0	0	0	0	0	110.5	G540 E543 D550 M551 R555 M577	G540-A545 WeakPolarHBondContact O-CB 3.45Å; G540-A545 PolarHBondContact O-N 3.03Å; E543-A545 VanDerWaalsContact C-N 3.3Å; E543-A545 PolarHBondContact O-N 3.37Å; A545-D550 HydrophobicContact CB-CB 3.9Å; A545-M551 HydrophobicContact CB-CG 4.27Å; A545-M551 HydrophobicContact CB-SD 3.77Å; A545-R555 HydrophobicContact CB-CG 4.39Å; A545-M577 HydrophobicContact CB-CE 4.4Å
546	R	97.8	Very high	97.5	Very high	30 Å²	30	12.4 Å²	12.4	11%	0.113	6%	0.06	C	C	.	.			trans	-129.5	-10.5	-178.1	-61	-65.3	157.3	154.1	-2.2	114.1	R57 E58 Y246 L274 Y544 D550 W583	R57-R546 VanDerWaalsContact CB-NH2 3.31Å; E58-R546 IonicContact OE1-CZ 3.83Å; E58-R546 IonicContact OE1-NH1 3.84Å; E58-R546 PolarHBondContact OE1-NH1 2.82Å; E58-R546 IonicContact OE1-NH2 2.74Å; E58-R546 PolarHBondContact OE1-NH2 2.75Å; E58-R546 IonicContact OE2-NH2 2.75Å; Y246-R546 HydrophobicContact CD2-CB 3.93Å; Y246-R546 HydrophobicContact CD2-CG 4.13Å; Y246-R546 HydrophobicContact CE2-CB 3.69Å; Y246-R546 HydrophobicContact CE2-CG 4.25Å; L274-R546 HydrophobicContact CD1-CB 3.72Å; L274-R546 HydrophobicContact CD1-CG 3.77Å; Y544-R546 PolarHBondContact O-N 3.15Å; R546-D550 PolarHBondContact N-OD2 3Å; R546-W583 VanDerWaalsContact O-CZ2 3.31Å; R546-W583 WeakPolarHBondContact O-CZ2 3.16Å
547	T	98.3	Very high	97.4	Very high	19 Å²	19	12.4 Å²	12.4	12%	0.117	6%	0.06	C	C	.	.	S	Bend	trans	-127.6	157.3	174	67.4	0	0	0	0	111.4	Y246 V549 D550 M577 E591	Y246-T547 HydrophobicContact CE1-CG2 4.06Å; Y246-T547 WeakPolarHBondContact OH-CG2 2.94Å; Y246-T547 PolarHBondContact OH-OG1 3.25Å; T547-V549 PolarHBondContact O-N 2.88Å; T547-D550 PolarHBondContact N-OD2 3.05Å; T547-D550 WeakPolarHBondContact O-CB 3.22Å; T547-D550 PolarHBondContact O-N 3.12Å; T547-D550 PolarHBondContact OG1-N 3.05Å; T547-D550 PolarHBondContact OG1-OD1 3.06Å; T547-D550 PolarHBondContact OG1-OD2 2.84Å; T547-M577 WeakPolarHBondContact O-CE 3.37Å; T547-E591 WeakPolarHBondContact CA-OE2 3.47Å; T547-E591 VanDerWaalsContact CB-OE2 3.24Å; T547-E591 WeakPolarHBondContact CB-OE2 3.44Å
548	A	98.3	Very high	97.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.3	-32.1	173.8	0	0	0	0	0	111.8	D550 M551 I552 L570 V574 E591 A595	A548-D550 VanDerWaalsContact C-N 3.31Å; A548-D550 PolarHBondContact O-N 2.95Å; A548-M551 PolarHBondContact O-N 2.91Å; A548-I552 PolarHBondContact O-N 3.02Å; A548-I552 VanDerWaalsContact O-N 3.16Å; A548-L570 HydrophobicContact CB-CD2 4.13Å; A548-V574 HydrophobicContact CB-CG2 3.85Å; A548-E591 HydrophobicContact CB-CB 4.38Å; A548-E591 PolarHBondContact N-OE2 2.56Å; A548-A595 HydrophobicContact CB-CB 4.09Å
549	V	98.3	Very high	97.2	Very high	24 Å²	24	11.2 Å²	11.2	15%	0.145	5%	0.053	C	C	.	.	H	α-helix	trans	-62.6	-34.3	176.2	168.3	0	0	0	0	111.6	T547 M551 S553 R554 A595 F598	T547-V549 PolarHBondContact O-N 2.88Å; V549-M551 VanDerWaalsContact C-N 3.34Å; V549-S553 WeakPolarHBondContact O-CB 2.73Å; V549-S553 PolarHBondContact O-OG 3.41Å; V549-R554 PolarHBondContact O-NH2 3.22Å; V549-R554 VanDerWaalsContact O-NH2 3.09Å; V549-A595 HydrophobicContact CG2-CB 3.89Å; V549-F598 HydrophobicContact CG1-CD1 4.33Å; V549-F598 HydrophobicContact CG1-CD2 4.19Å; V549-F598 HydrophobicContact CG1-CE2 4.48Å; V549-F598 HydrophobicContact CG1-CG 4.12Å; V549-F598 HydrophobicContact CG2-CB 3.96Å; V549-F598 HydrophobicContact CG2-CD1 4.44Å; V549-F598 HydrophobicContact CG2-CG 4.2Å
550	D	98.4	Very high	97.2	Very high	2 Å²	2	11 Å²	11	1%	0.011	5%	0.052	C	C	.	.	H	α-helix	trans	-64	-41.8	175.2	-57.2	-21.1	0	0	0	111.8	D102 Y246 A545 R546 T547 A548 R554 R555	D102-D550 WeakPolarHBondContact CB-OD1 3.28Å; Y246-D550 VanDerWaalsContact OH-CG 3.22Å; Y246-D550 PolarHBondContact OH-OD1 3.43Å; Y246-D550 PolarHBondContact OH-OD2 3.17Å; A545-D550 HydrophobicContact CB-CB 3.9Å; R546-D550 PolarHBondContact N-OD2 3Å; T547-D550 PolarHBondContact N-OD2 3.05Å; T547-D550 WeakPolarHBondContact O-CB 3.22Å; T547-D550 PolarHBondContact O-N 3.12Å; T547-D550 PolarHBondContact OG1-N 3.05Å; T547-D550 PolarHBondContact OG1-OD1 3.06Å; T547-D550 PolarHBondContact OG1-OD2 2.84Å; A548-D550 VanDerWaalsContact C-N 3.31Å; A548-D550 PolarHBondContact O-N 2.95Å; D550-R554 WeakPolarHBondContact O-CB 3.49Å; D550-R554 PolarHBondContact O-N 3.34Å; D550-R555 PolarHBondContact O-N 2.65Å; D550-R555 VanDerWaalsContact O-N 3.08Å
551	M	98.3	Very high	97.1	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-68.9	-55.6	-176.4	-76.3	-53.4	-44.7	0	0	112.1	V537 A545 A548 V549 S553 R555 T556 I573 M577	V537-M551 HydrophobicContact CB-CE 4.28Å; V537-M551 HydrophobicContact CG1-CE 4.47Å; V537-M551 HydrophobicContact CG1-CG 4.37Å; V537-M551 HydrophobicContact CG2-CE 4.22Å; A545-M551 HydrophobicContact CB-CG 4.27Å; A545-M551 HydrophobicContact CB-SD 3.77Å; A548-M551 PolarHBondContact O-N 2.91Å; V549-M551 VanDerWaalsContact C-N 3.34Å; M551-S553 PolarHBondContact O-N 3.1Å; M551-S553 VanDerWaalsContact O-N 3.15Å; M551-R555 HydrophobicContact CE-CB 3.66Å; M551-R555 HydrophobicContact CE-CG 4.11Å; M551-R555 HydrophobicContact SD-CB 3.94Å; M551-R555 HydrophobicContact SD-CG 3.67Å; M551-T556 HydrophobicContact CE-CG2 4.2Å; M551-T556 PolarHBondContact O-N 2.88Å; M551-T556 PolarHBondContact O-OG1 3.38Å; M551-I573 HydrophobicContact CB-CG2 3.86Å; M551-I573 HydrophobicContact CG-CG2 4.24Å; M551-M577 HydrophobicContact CB-SD 4.16Å; M551-M577 HydrophobicContact CG-CE 3.98Å; M551-M577 HydrophobicContact CG-CG 4.25Å; M551-M577 HydrophobicContact CG-SD 3.36Å; M551-M577 WeakPolarHBondContact CG-SD 3.29Å
552	I	97.9	Very high	97	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.048	C	C	.	.	I	π-helix	trans	-66	-21.1	-173.2	62.5	-178.3	0	0	0	113.2	A548 T556 R557 L558 A559 L570 I573 A595 F598 L599	A548-I552 PolarHBondContact O-N 3.02Å; A548-I552 VanDerWaalsContact O-N 3.16Å; I552-T556 WeakPolarHBondContact CA-OG1 3.3Å; I552-T556 PolarHBondContact O-OG1 3.16Å; I552-R557 CarbonylContact O-C 3.57Å; I552-L558 PolarHBondContact O-N 3.44Å; I552-A559 HydrophobicContact CB-CB 4.29Å; I552-A559 HydrophobicContact CD1-CB 4.31Å; I552-A559 HydrophobicContact CG1-CB 4.06Å; I552-A559 WeakPolarHBondContact O-CB 3.23Å; I552-A559 PolarHBondContact O-N 3.13Å; I552-L570 HydrophobicContact CD1-CD2 4.11Å; I552-L570 HydrophobicContact CG2-CD2 3.72Å; I552-L570 HydrophobicContact CG2-CG 4.33Å; I552-I573 HydrophobicContact CG2-CD1 3.5Å; I552-I573 VanDerWaalsContact CG2-CD1 3.5Å; I552-A595 HydrophobicContact CD1-CB 4.27Å; I552-F598 HydrophobicContact CD1-CD1 4.21Å; I552-L599 HydrophobicContact CD1-CD1 4.46Å; I552-L599 HydrophobicContact CD1-CD2 3.99Å; I552-L599 HydrophobicContact CD1-CG 4.19Å
553	S	96.7	Very high	96.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	I	π-helix	trans	-125.6	-28	-166	69.8	0	0	0	0	113.7	V549 M551 R557	V549-S553 WeakPolarHBondContact O-CB 2.73Å; V549-S553 PolarHBondContact O-OG 3.41Å; M551-S553 PolarHBondContact O-N 3.1Å; M551-S553 VanDerWaalsContact O-N 3.15Å; S553-R557 WeakPolarHBondContact O-CD 3.32Å; S553-R557 PolarHBondContact O-NE 2.97Å; S553-R557 PolarHBondContact O-NH1 3.08Å
554	R	97.3	Very high	96.4	Very high	10 Å²	10	5.3 Å²	5.3	4%	0.038	3%	0.026	C	C	.	.	I	π-helix	trans	-110.2	-39	-179.3	-76.6	139.5	-85.3	-83.1	10.7	112.6	D102 A226 V549 D550	D102-R554 WeakPolarHBondContact OD2-CD 3.36Å; A226-R554 HydrophobicContact CB-CB 4.4Å; A226-R554 HydrophobicContact CB-CG 4.24Å; V549-R554 PolarHBondContact O-NH2 3.22Å; V549-R554 VanDerWaalsContact O-NH2 3.09Å; D550-R554 WeakPolarHBondContact O-CB 3.49Å; D550-R554 PolarHBondContact O-N 3.34Å
555	R	97.1	Very high	96	Very high	2 Å²	2	5.2 Å²	5.2	1%	0.008	3%	0.026	C	C	.	.	I	π-helix	trans	-80.8	-53.3	176.9	-54.7	-57.5	179.1	-76.3	6.7	111.9	D102 L230 E543 A545 D550 M551	D102-R555 IonicContact OD1-NH1 3.33Å; D102-R555 IonicContact OD1-NH2 3.94Å; D102-R555 PolarHBondContact OD1-NH2 2.76Å; D102-R555 IonicContact OD2-CZ 2.72Å; D102-R555 IonicContact OD2-NH1 2.73Å; D102-R555 PolarHBondContact OD2-NH1 3.34Å; D102-R555 IonicContact OD2-NH2 2.69Å; D102-R555 PolarHBondContact OD2-NH2 2.71Å; L230-R555 VanDerWaalsContact CD2-CD 3.47Å; L230-R555 VanDerWaalsContact CD2-NE 3.35Å; E543-R555 PolarHBondContact O-NE 3.5Å; E543-R555 PolarHBondContact O-NH2 2.66Å; A545-R555 HydrophobicContact CB-CG 4.39Å; D550-R555 PolarHBondContact O-N 2.65Å; D550-R555 VanDerWaalsContact O-N 3.08Å; M551-R555 HydrophobicContact CE-CB 3.66Å; M551-R555 HydrophobicContact CE-CG 4.11Å; M551-R555 HydrophobicContact SD-CB 3.94Å; M551-R555 HydrophobicContact SD-CG 3.67Å
556	T	95.7	Very high	95.9	Very high	3 Å²	3	5.2 Å²	5.2	2%	0.018	3%	0.026	C	C	.	.	S	Bend	trans	-92.3	-29.4	-179.6	60.9	0	0	0	0	113.3	Y532 M551 I552 L558	Y532-T556 HydrophobicContact CD1-CG2 4.12Å; Y532-T556 WeakPolarHBondContact CE1-O 3.23Å; Y532-T556 HydrophobicContact CG-CG2 4.29Å; Y532-T556 PolarHBondContact OH-O 3.25Å; M551-T556 HydrophobicContact CE-CG2 4.2Å; M551-T556 PolarHBondContact O-N 2.88Å; M551-T556 PolarHBondContact O-OG1 3.38Å; I552-T556 WeakPolarHBondContact CA-OG1 3.3Å; I552-T556 PolarHBondContact O-OG1 3.16Å; T556-L558 PolarHBondContact O-N 3.4Å; T556-L558 PolarHBondContact OG1-N 3.37Å
557	R	96.5	Very high	95.6	Very high	1 Å²	1	6.7 Å²	6.7	0%	0.004	3%	0.034	C	C	.	.			trans	67.8	4.1	-171.6	-48.7	-62.3	-55.4	167.6	-1.5	115.2	S109 W346 I552 S553 A559 F560 L561	S109-R557 PolarHBondContact O-NH2 3.16Å; W346-R557 HydrophobicContact CH2-CB 3.89Å; W346-R557 HydrophobicContact CH2-CG 4.12Å; W346-R557 HydrophobicContact CZ2-CG 4.36Å; I552-R557 CarbonylContact O-C 3.57Å; S553-R557 WeakPolarHBondContact O-CD 3.32Å; S553-R557 PolarHBondContact O-NE 2.97Å; S553-R557 PolarHBondContact O-NH1 3.08Å; R557-A559 VanDerWaalsContact C-N 3.27Å; R557-A559 PolarHBondContact O-N 3.29Å; R557-A559 VanDerWaalsContact O-N 3.15Å; R557-F560 VanDerWaalsContact NH2-CZ 3.29Å; R557-F560 WeakPolarHBondContact O-CA 3.45Å; R557-F560 WeakPolarHBondContact O-CB 3.44Å; R557-F560 PolarHBondContact O-N 3.4Å; R557-L561 PolarHBondContact O-N 3.27Å
558	L	96.6	Very high	95.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-51.1	-41.4	-177.8	-176.5	57.4	0	0	0	113.5	V527 F530 Y532 I552 T556 F560 L561 N562 A565 A566 A569	V527-L558 HydrophobicContact CG1-CD1 4.4Å; V527-L558 HydrophobicContact CG1-CD2 4.01Å; F530-L558 HydrophobicContact CB-CD1 4.26Å; F530-L558 HydrophobicContact CD1-CD1 3.94Å; F530-L558 HydrophobicContact CD2-CD1 3.64Å; F530-L558 HydrophobicContact CE1-CD1 4.17Å; F530-L558 HydrophobicContact CE2-CD1 3.9Å; F530-L558 HydrophobicContact CG-CD1 3.66Å; F530-L558 HydrophobicContact CZ-CD1 4.15Å; Y532-L558 HydrophobicContact CD2-CB 4.09Å; Y532-L558 HydrophobicContact CD2-CD1 3.96Å; Y532-L558 HydrophobicContact CD2-CD2 4.29Å; Y532-L558 HydrophobicContact CD2-CG 4.34Å; Y532-L558 HydrophobicContact CE2-CB 3.89Å; Y532-L558 HydrophobicContact CE2-CD1 3.75Å; Y532-L558 HydrophobicContact CE2-CG 4.32Å; I552-L558 PolarHBondContact O-N 3.44Å; T556-L558 PolarHBondContact O-N 3.4Å; T556-L558 PolarHBondContact OG1-N 3.37Å; L558-F560 PolarHBondContact O-N 2.99Å; L558-L561 PolarHBondContact O-N 2.81Å; L558-N562 PolarHBondContact O-N 2.74Å; L558-A565 HydrophobicContact CD1-CB 3.94Å; L558-A566 HydrophobicContact CD2-CB 4.36Å; L558-A566 HydrophobicContact CG-CB 3.96Å; L558-A569 HydrophobicContact CD2-CB 3.82Å
559	A	97.2	Very high	95.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.6	-28	176.5	0	0	0	0	0	113.9	I552 R557 A566 F598 L599 M603	I552-A559 HydrophobicContact CB-CB 4.29Å; I552-A559 HydrophobicContact CD1-CB 4.31Å; I552-A559 HydrophobicContact CG1-CB 4.06Å; I552-A559 WeakPolarHBondContact O-CB 3.23Å; I552-A559 PolarHBondContact O-N 3.13Å; R557-A559 VanDerWaalsContact C-N 3.27Å; R557-A559 PolarHBondContact O-N 3.29Å; R557-A559 VanDerWaalsContact O-N 3.15Å; A559-A566 HydrophobicContact CB-CB 4.2Å; A559-F598 HydrophobicContact CB-CE1 4.13Å; A559-L599 HydrophobicContact CB-CD2 3.6Å; A559-M603 HydrophobicContact CB-CG 4.37Å; A559-M603 WeakPolarHBondContact O-CE 3.49Å
560	F	97.1	Very high	95	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-84.1	-14.6	174.6	-78.1	-103.8	0	0	0	112.5	S109 R110 V318 W346 W398 R557 L558 M603	S109-F560 WeakPolarHBondContact O-CE1 3.31Å; S109-F560 WeakPolarHBondContact O-CZ 3.24Å; R110-F560 HydrophobicContact CG-CE1 4.47Å; R110-F560 HydrophobicContact CG-CZ 4.28Å; V318-F560 WeakPolarHBondContact CG2-O 3.4Å; W346-F560 HydrophobicContact CH2-CB 4.27Å; W346-F560 HydrophobicContact CZ3-CB 4.05Å; W398-F560 HydrophobicContact CB-CD1 4.47Å; W398-F560 HydrophobicContact CB-CE1 4.02Å; W398-F560 AromaticContact CD1-CE1 3.85Å; W398-F560 AromaticContact CD2-CD1 3.59Å; W398-F560 HydrophobicContact CD2-CD1 3.59Å; W398-F560 AromaticContact CD2-CE1 3.65Å; W398-F560 HydrophobicContact CD2-CE1 3.65Å; W398-F560 AromaticContact CE2-CE1 3.95Å; W398-F560 AromaticContact CE3-CD1 3.75Å; W398-F560 HydrophobicContact CE3-CD1 3.75Å; W398-F560 HydrophobicContact CE3-CE1 4.27Å; W398-F560 AromaticContact CG-CD1 3.96Å; W398-F560 HydrophobicContact CG-CD1 3.96Å; W398-F560 AromaticContact CG-CE1 3.53Å; W398-F560 HydrophobicContact CG-CE1 3.53Å; W398-F560 HydrophobicContact CZ2-CD1 4.45Å; W398-F560 HydrophobicContact CZ3-CD1 4.28Å; R557-F560 VanDerWaalsContact NH2-CZ 3.29Å; R557-F560 WeakPolarHBondContact O-CA 3.45Å; R557-F560 WeakPolarHBondContact O-CB 3.44Å; R557-F560 PolarHBondContact O-N 3.4Å; L558-F560 PolarHBondContact O-N 2.99Å; F560-M603 HydrophobicContact CB-CE 4.22Å; F560-M603 HydrophobicContact CD1-CE 3.82Å; F560-M603 HydrophobicContact CD2-CE 3.73Å; F560-M603 HydrophobicContact CE1-CE 4.09Å; F560-M603 HydrophobicContact CE2-CE 4Å; F560-M603 HydrophobicContact CE2-SD 4.38Å; F560-M603 HydrophobicContact CG-CE 3.64Å; F560-M603 HydrophobicContact CZ-CE 4.18Å; F560-M603 HydrophobicContact CZ-SD 4.5Å
561	L	95.5	Very high	94.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-97	-46.8	179.9	-60.8	-177.4	0	0	0	112	W346 E347 M349 L395 F530 Y532 R557 L558	W346-L561 HydrophobicContact CE3-CD2 3.43Å; W346-L561 VanDerWaalsContact CE3-CD2 3.43Å; W346-L561 HydrophobicContact CH2-CD2 4.32Å; W346-L561 HydrophobicContact CZ3-CD2 3.31Å; W346-L561 HydrophobicContact CZ3-CG 4.23Å; E347-L561 HydrophobicContact CB-CD1 3.69Å; E347-L561 HydrophobicContact CB-CD2 3.71Å; E347-L561 HydrophobicContact CB-CG 4.35Å; E347-L561 HydrophobicContact CG-CD1 4.41Å; E347-L561 HydrophobicContact CG-CD2 4.32Å; M349-L561 HydrophobicContact CB-CD2 4.41Å; M349-L561 HydrophobicContact CG-CB 4.43Å; M349-L561 HydrophobicContact CG-CD2 4.24Å; L395-L561 WeakPolarHBondContact CB-O 3.36Å; F530-L561 HydrophobicContact CD1-CD1 4.1Å; F530-L561 HydrophobicContact CE1-CB 3.84Å; F530-L561 HydrophobicContact CE1-CD1 3.9Å; F530-L561 HydrophobicContact CZ-CB 4.35Å; Y532-L561 HydrophobicContact CE2-CD1 4.3Å; Y532-L561 WeakPolarHBondContact OH-CD1 3.33Å; R557-L561 PolarHBondContact O-N 3.27Å; L558-L561 PolarHBondContact O-N 2.81Å
562	N	94.2	Very high	94.9	Very high	2 Å²	2	17 Å²	17	1%	0.011	8%	0.082	C	C	.	.			trans	-156.5	116.6	-179.1	-176.1	-39.3	0	0	0	109.6	L395 F530 L558 Q564 A565 A566 N674 K675	L395-N562 HydrophobicContact CB-CB 4.36Å; F530-N562 HydrophobicContact CE2-CB 4.03Å; F530-N562 HydrophobicContact CZ-CB 3.64Å; L558-N562 PolarHBondContact O-N 2.74Å; N562-Q564 VanDerWaalsContact C-N 3.33Å; N562-Q564 PolarHBondContact O-N 3.47Å; N562-Q564 PolarHBondContact OD1-N 3.13Å; N562-A565 HydrophobicContact CB-CB 3.98Å; N562-A565 PolarHBondContact OD1-N 2.89Å; N562-A566 WeakPolarHBondContact O-CB 3.4Å; N562-A566 PolarHBondContact O-N 3.17Å; N562-N674 PolarHBondContact ND2-O 3.19Å; N562-N674 VanDerWaalsContact ND2-O 3.12Å; N562-K675 PolarHBondContact ND2-O 2.81Å; N562-K675 VanDerWaalsContact ND2-O 3.11Å
563	V	91.9	Very high	94.9	Very high	3 Å²	3	17 Å²	17	2%	0.018	8%	0.082	C	C	.	.	H	α-helix	trans	-67.7	-34.2	-177.1	178.5	0	0	0	0	112.4	L395 A396 A566 E567 L599 M603 Y605	L395-V563 PolarHBondContact O-N 2.95Å; A396-V563 HydrophobicContact CB-CG2 3.89Å; V563-A566 WeakPolarHBondContact O-CB 3.42Å; V563-A566 PolarHBondContact O-N 3.41Å; V563-E567 PolarHBondContact O-N 2.88Å; V563-L599 HydrophobicContact CG1-CB 3.7Å; V563-L599 HydrophobicContact CG1-CD1 4.32Å; V563-L599 HydrophobicContact CG1-CD2 4.01Å; V563-L599 HydrophobicContact CG1-CG 4.2Å; V563-M603 HydrophobicContact CG2-CB 3.62Å; V563-M603 WeakPolarHBondContact CG2-O 3.3Å; V563-Y605 HydrophobicContact CB-CD2 4.25Å; V563-Y605 HydrophobicContact CG1-CD2 3.73Å; V563-Y605 HydrophobicContact CG1-CG 3.96Å
564	Q	86.1	Confident	95	Very high	13 Å²	13	17.4 Å²	17.4	6%	0.061	9%	0.085	C	C	.	.	H	α-helix	trans	-73.8	-44	-177.9	-61.8	-164.6	33.7	0	0	111.2	N562 A566 E567 E568 Y605 N676 E680	N562-Q564 VanDerWaalsContact C-N 3.33Å; N562-Q564 PolarHBondContact O-N 3.47Å; N562-Q564 PolarHBondContact OD1-N 3.13Å; Q564-A566 PolarHBondContact O-N 3.17Å; Q564-E567 PolarHBondContact O-N 3.47Å; Q564-E568 PolarHBondContact O-N 3.18Å; Q564-Y605 HydrophobicContact CG-CD2 4.26Å; Q564-Y605 HydrophobicContact CG-CE2 3.65Å; Q564-N676 HydrophobicContact CB-CB 3.43Å; Q564-N676 VanDerWaalsContact CB-CB 3.43Å; Q564-N676 VanDerWaalsContact CD-ND2 3.27Å; Q564-N676 HydrophobicContact CG-CB 3.84Å; Q564-N676 PolarHBondContact NE2-ND2 2.99Å; Q564-N676 PolarHBondContact OE1-ND2 3.22Å; Q564-E680 PolarHBondContact NE2-OE1 2.97Å; Q564-E680 VanDerWaalsContact NE2-OE1 3.13Å
565	A	89.8	Confident	95.1	Very high	1 Å²	1	19 Å²	19	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-61.1	-35.4	171.8	0	0	0	0	0	111.9	V527 F530 L558 N562 A569	V527-A565 HydrophobicContact CG1-CB 4.48Å; V527-A565 HydrophobicContact CG2-CB 4.12Å; F530-A565 HydrophobicContact CD2-CB 3.87Å; F530-A565 HydrophobicContact CE2-CB 3.46Å; F530-A565 VanDerWaalsContact CE2-CB 3.46Å; F530-A565 HydrophobicContact CZ-CB 4.41Å; L558-A565 HydrophobicContact CD1-CB 3.94Å; N562-A565 HydrophobicContact CB-CB 3.98Å; N562-A565 PolarHBondContact OD1-N 2.89Å; A565-A569 WeakPolarHBondContact O-CB 3.42Å; A565-A569 PolarHBondContact O-N 2.93Å; A565-A569 VanDerWaalsContact O-N 3.08Å
566	A	95.1	Very high	95.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.4	-43.2	172.3	0	0	0	0	0	112.1	L558 A559 N562 V563 Q564 A569 L570 L599	L558-A566 HydrophobicContact CD2-CB 4.36Å; L558-A566 HydrophobicContact CG-CB 3.96Å; A559-A566 HydrophobicContact CB-CB 4.2Å; N562-A566 WeakPolarHBondContact O-CB 3.4Å; N562-A566 PolarHBondContact O-N 3.17Å; V563-A566 WeakPolarHBondContact O-CB 3.42Å; V563-A566 PolarHBondContact O-N 3.41Å; Q564-A566 PolarHBondContact O-N 3.17Å; A566-A569 PolarHBondContact O-N 2.86Å; A566-L570 WeakPolarHBondContact O-CG 3.39Å; A566-L570 PolarHBondContact O-N 2.8Å; A566-L599 HydrophobicContact CB-CD1 4.03Å; A566-L599 HydrophobicContact CB-CD2 3.97Å
567	E	91.2	Very high	95.3	Very high	61 Å²	61	19.3 Å²	19.3	29%	0.285	10%	0.096	S	C	.	.	H	α-helix	trans	-63.7	-40.1	176.6	-176.2	170.7	-161.2	0	0	112.2	V563 Q564 L570 P571 K596 L599	V563-E567 PolarHBondContact O-N 2.88Å; Q564-E567 PolarHBondContact O-N 3.47Å; E567-L570 WeakPolarHBondContact O-CB 3.35Å; E567-L570 PolarHBondContact O-N 3.07Å; E567-P571 WeakPolarHBondContact O-CD 3.34Å; E567-K596 WeakPolarHBondContact OE1-CE 3.17Å; E567-K596 IonicContact OE1-NZ 3.1Å; E567-K596 PolarHBondContact OE1-NZ 2.86Å; E567-L599 HydrophobicContact CB-CD1 3.98Å
568	E	91.2	Very high	95.3	Very high	106 Å²	106	19.4 Å²	19.4	50%	0.495	10%	0.097	S	C	.	.	H	α-helix	trans	-63.6	-41.8	176.2	-173	-176.9	162.7	0	0	112.1	Q564 L570 P571	Q564-E568 PolarHBondContact O-N 3.18Å; E568-L570 VanDerWaalsContact C-N 3.28Å; E568-L570 PolarHBondContact O-N 3.19Å; E568-P571 WeakPolarHBondContact O-CD 3.31Å
569	A	95.3	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.4	-22.2	179	0	0	0	0	0	113.5	L526 L558 A565 A566 R572 I573	L526-A569 HydrophobicContact CB-CB 4.15Å; L558-A569 HydrophobicContact CD2-CB 3.82Å; A565-A569 WeakPolarHBondContact O-CB 3.42Å; A565-A569 PolarHBondContact O-N 2.93Å; A565-A569 VanDerWaalsContact O-N 3.08Å; A566-A569 PolarHBondContact O-N 2.86Å; A569-R572 PolarHBondContact O-N 3.17Å; A569-I573 HydrophobicContact CB-CD1 3.93Å; A569-I573 WeakPolarHBondContact O-CG1 3.43Å; A569-I573 PolarHBondContact O-N 2.95Å
570	L	96.1	Very high	95.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.3	-49.7	-169.9	-90.6	176.6	0	0	0	114.9	A548 I552 A566 E567 E568 R572 I573 V574 L592 A595 K596 L599	A548-L570 HydrophobicContact CB-CD2 4.13Å; I552-L570 HydrophobicContact CD1-CD2 4.11Å; I552-L570 HydrophobicContact CG2-CD2 3.72Å; I552-L570 HydrophobicContact CG2-CG 4.33Å; A566-L570 WeakPolarHBondContact O-CG 3.39Å; A566-L570 PolarHBondContact O-N 2.8Å; E567-L570 WeakPolarHBondContact O-CB 3.35Å; E567-L570 PolarHBondContact O-N 3.07Å; E568-L570 VanDerWaalsContact C-N 3.28Å; E568-L570 PolarHBondContact O-N 3.19Å; L570-R572 PolarHBondContact O-N 2.73Å; L570-I573 PolarHBondContact O-N 3.5Å; L570-V574 WeakPolarHBondContact O-CB 3.14Å; L570-V574 WeakPolarHBondContact O-CG2 3.43Å; L570-V574 PolarHBondContact O-N 2.93Å; L570-L592 HydrophobicContact CB-CD1 3.74Å; L570-L592 HydrophobicContact CD1-CD1 4.34Å; L570-A595 HydrophobicContact CD1-CB 3.74Å; L570-A595 HydrophobicContact CD2-CB 3.53Å; L570-A595 HydrophobicContact CG-CB 4.31Å; L570-K596 HydrophobicContact CD1-CG 4.13Å; L570-L599 HydrophobicContact CD1-CD1 3.77Å
571	P	96.8	Very high	95.3	Very high	74 Å²	74	31 Å²	31	48%	0.481	15%	0.15	S	C	.	.	H	α-helix	trans	-56.6	-39.4	-179.7	-26.2	35.8	0	0	0	112.3	E567 E568 D575	E567-P571 WeakPolarHBondContact O-CD 3.34Å; E568-P571 WeakPolarHBondContact O-CD 3.31Å; P571-D575 PolarHBondContact O-N 3.05Å
572	R	97.8	Very high	95.4	Very high	80 Å²	80	38 Å²	38	30%	0.302	19%	0.188	S	C	.	.	H	α-helix	trans	-71.1	-42.2	178.8	-173.6	57.4	178	152.7	4	112	L526 E534 A569 L570 D575 I576	L526-R572 HydrophobicContact CD2-CG 4.18Å; E534-R572 VanDerWaalsContact CD-NE 3.31Å; E534-R572 HydrophobicContact CG-CG 4.49Å; E534-R572 IonicContact OE1-CZ 3.81Å; E534-R572 IonicContact OE1-NE 2.68Å; E534-R572 PolarHBondContact OE1-NE 2.84Å; E534-R572 IonicContact OE1-NH2 3.96Å; E534-R572 PolarHBondContact OE1-NH2 3.22Å; E534-R572 VanDerWaalsContact OE1-NH2 3.1Å; E534-R572 IonicContact OE2-CZ 3.25Å; E534-R572 IonicContact OE2-NE 3.72Å; E534-R572 IonicContact OE2-NH2 2.78Å; E534-R572 PolarHBondContact OE2-NH2 3.05Å; A569-R572 PolarHBondContact O-N 3.17Å; L570-R572 PolarHBondContact O-N 2.73Å; R572-D575 IonicContact NH1-OD2 2.56Å; R572-D575 PolarHBondContact NH1-OD2 3.2Å; R572-D575 PolarHBondContact O-N 3.18Å; R572-I576 HydrophobicContact CG-CD1 4.08Å; R572-I576 WeakPolarHBondContact O-CG1 3.12Å; R572-I576 PolarHBondContact O-N 2.9Å; R572-I576 VanDerWaalsContact O-N 3.08Å
573	I	98.5	Very high	95.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.8	-47.8	175	-68.7	169.1	0	0	0	110.4	L526 V537 M551 I552 A569 L570 D575 I576 M577	L526-I573 HydrophobicContact CD1-CD1 4.18Å; L526-I573 HydrophobicContact CD1-CG1 4.07Å; L526-I573 HydrophobicContact CD2-CG1 3.95Å; V537-I573 HydrophobicContact CG1-CG2 4.13Å; V537-I573 HydrophobicContact CG2-CG1 4.01Å; M551-I573 HydrophobicContact CB-CG2 3.86Å; M551-I573 HydrophobicContact CG-CG2 4.24Å; I552-I573 HydrophobicContact CG2-CD1 3.5Å; I552-I573 VanDerWaalsContact CG2-CD1 3.5Å; A569-I573 HydrophobicContact CB-CD1 3.93Å; A569-I573 WeakPolarHBondContact O-CG1 3.43Å; A569-I573 PolarHBondContact O-N 2.95Å; L570-I573 PolarHBondContact O-N 3.5Å; I573-D575 PolarHBondContact O-N 3.13Å; I573-I576 PolarHBondContact O-N 3.35Å; I573-M577 HydrophobicContact CG2-CG 4.23Å; I573-M577 HydrophobicContact CG2-SD 3.93Å; I573-M577 WeakPolarHBondContact O-CB 3.21Å; I573-M577 WeakPolarHBondContact O-CG 3.23Å; I573-M577 PolarHBondContact O-N 3.42Å
574	V	98.5	Very high	95.8	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.055	22%	0.216	C	C	.	.	H	α-helix	trans	-64.3	-38.2	179.8	170.2	0	0	0	0	111.8	A548 L570 G578 W583 K588 L592	A548-V574 HydrophobicContact CB-CG2 3.85Å; L570-V574 WeakPolarHBondContact O-CB 3.14Å; L570-V574 WeakPolarHBondContact O-CG2 3.43Å; L570-V574 PolarHBondContact O-N 2.93Å; V574-G578 WeakPolarHBondContact O-CA 3.36Å; V574-G578 PolarHBondContact O-N 2.97Å; V574-W583 HydrophobicContact CG1-CZ3 4.34Å; V574-K588 HydrophobicContact CG1-CB 3.61Å; V574-K588 HydrophobicContact CG1-CG 3.88Å; V574-K588 WeakPolarHBondContact CG1-O 3.28Å; V574-L592 HydrophobicContact CG2-CB 4.48Å; V574-L592 HydrophobicContact CG2-CD1 4.42Å
575	D	98.3	Very high	96.4	Very high	43 Å²	43	48.7 Å²	48.7	23%	0.23	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-45.6	174.9	178.4	52.8	0	0	0	111.9	P571 R572 I573 G578 K579	P571-D575 PolarHBondContact O-N 3.05Å; R572-D575 IonicContact NH1-OD2 2.56Å; R572-D575 PolarHBondContact NH1-OD2 3.2Å; R572-D575 PolarHBondContact O-N 3.18Å; I573-D575 PolarHBondContact O-N 3.13Å; D575-G578 PolarHBondContact O-N 2.72Å; D575-K579 WeakPolarHBondContact O-CG 3.38Å; D575-K579 PolarHBondContact O-N 3.09Å; D575-K579 VanDerWaalsContact O-N 3.14Å; D575-K579 WeakPolarHBondContact OD1-CE 3.41Å; D575-K579 IonicContact OD1-NZ 3.38Å; D575-K579 PolarHBondContact OD1-NZ 3.22Å; D575-K579 IonicContact OD2-NZ 3.44Å; D575-K579 PolarHBondContact OD2-NZ 3.26Å
576	I	98.4	Very high	96.8	Very high	12 Å²	12	55 Å²	55	6%	0.062	27%	0.273	C	S	.	.	H	α-helix	trans	-66.3	-51.5	178.9	-64.1	164.2	0	0	0	110.4	E534 V537 V538 R572 I573 G578 K579 E580	E534-I576 HydrophobicContact CB-CD1 3.68Å; E534-I576 HydrophobicContact CG-CD1 3.75Å; V537-I576 HydrophobicContact CB-CB 4.38Å; V537-I576 HydrophobicContact CB-CD1 4.45Å; V537-I576 HydrophobicContact CB-CG2 3.93Å; V537-I576 HydrophobicContact CG1-CB 3.96Å; V537-I576 HydrophobicContact CG1-CG2 3.74Å; V537-I576 HydrophobicContact CG2-CD1 4.46Å; V538-I576 HydrophobicContact CG2-CG2 3.64Å; R572-I576 HydrophobicContact CG-CD1 4.08Å; R572-I576 WeakPolarHBondContact O-CG1 3.12Å; R572-I576 PolarHBondContact O-N 2.9Å; R572-I576 VanDerWaalsContact O-N 3.08Å; I573-I576 PolarHBondContact O-N 3.35Å; I576-G578 VanDerWaalsContact C-N 3.27Å; I576-G578 PolarHBondContact O-N 3.09Å; I576-K579 WeakPolarHBondContact O-CB 3.12Å; I576-K579 PolarHBondContact O-N 3.01Å; I576-K579 VanDerWaalsContact O-N 3.11Å; I576-E580 PolarHBondContact O-N 3.21Å
577	M	98.5	Very high	96.9	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.6	-40.1	177.6	-71	-170.6	76.9	0	0	111.7	V537 V541 A545 T547 M551 I573 K579 E580 L581 W583	V537-M577 HydrophobicContact CG1-CG 3.51Å; V541-M577 HydrophobicContact CG2-CE 4.36Å; V541-M577 HydrophobicContact CG2-CG 4.44Å; A545-M577 HydrophobicContact CB-CE 4.4Å; T547-M577 WeakPolarHBondContact O-CE 3.37Å; M551-M577 HydrophobicContact CB-SD 4.16Å; M551-M577 HydrophobicContact CG-CE 3.98Å; M551-M577 HydrophobicContact CG-CG 4.25Å; M551-M577 HydrophobicContact CG-SD 3.36Å; M551-M577 WeakPolarHBondContact CG-SD 3.29Å; I573-M577 HydrophobicContact CG2-CG 4.23Å; I573-M577 HydrophobicContact CG2-SD 3.93Å; I573-M577 WeakPolarHBondContact O-CB 3.21Å; I573-M577 WeakPolarHBondContact O-CG 3.23Å; I573-M577 PolarHBondContact O-N 3.42Å; M577-K579 PolarHBondContact O-N 3.46Å; M577-E580 PolarHBondContact O-N 2.84Å; M577-L581 HydrophobicContact CE-CD1 3.92Å; M577-L581 VanDerWaalsContact O-CB 3.3Å; M577-L581 WeakPolarHBondContact O-CB 3.31Å; M577-L581 PolarHBondContact O-N 2.93Å; M577-W583 HydrophobicContact CB-CE3 4.38Å; M577-W583 HydrophobicContact CB-CH2 3.7Å; M577-W583 HydrophobicContact CB-CZ2 4.34Å; M577-W583 HydrophobicContact CB-CZ3 3.71Å; M577-W583 HydrophobicContact CE-CH2 3.84Å; M577-W583 HydrophobicContact CE-CZ2 4.14Å; M577-W583 HydrophobicContact CG-CH2 4.49Å; M577-W583 HydrophobicContact SD-CH2 4.01Å
578	G	98.1	Very high	97.2	Very high	3 Å²	3	56.7 Å²	56.7	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-29.2	178.7	0	0	0	0	0	113.2	V574 D575 I576 N582 W583	V574-G578 WeakPolarHBondContact O-CA 3.36Å; V574-G578 PolarHBondContact O-N 2.97Å; D575-G578 PolarHBondContact O-N 2.72Å; I576-G578 VanDerWaalsContact C-N 3.27Å; I576-G578 PolarHBondContact O-N 3.09Å; G578-N582 CarbonylContact O-C 3.56Å; G578-N582 VanDerWaalsContact O-CA 3.29Å; G578-N582 WeakPolarHBondContact O-CA 3.26Å; G578-N582 PolarHBondContact O-N 3.31Å; G578-N582 VanDerWaalsContact O-N 3.11Å; G578-W583 PolarHBondContact O-N 3.34Å
579	K	97.4	Very high	97.5	Very high	119 Å²	119	58.1 Å²	58.1	52%	0.517	28%	0.284	S	S	.	.	H	α-helix	trans	-73.2	-48.7	170.7	-72.4	164.3	-179.9	160.8	0	111.6	D575 I576 M577 L581 N582	D575-K579 WeakPolarHBondContact O-CG 3.38Å; D575-K579 PolarHBondContact O-N 3.09Å; D575-K579 VanDerWaalsContact O-N 3.14Å; D575-K579 WeakPolarHBondContact OD1-CE 3.41Å; D575-K579 IonicContact OD1-NZ 3.38Å; D575-K579 PolarHBondContact OD1-NZ 3.22Å; D575-K579 IonicContact OD2-NZ 3.44Å; D575-K579 PolarHBondContact OD2-NZ 3.26Å; I576-K579 WeakPolarHBondContact O-CB 3.12Å; I576-K579 PolarHBondContact O-N 3.01Å; I576-K579 VanDerWaalsContact O-N 3.11Å; M577-K579 PolarHBondContact O-N 3.46Å; K579-L581 VanDerWaalsContact C-N 3.34Å; K579-L581 PolarHBondContact O-N 3Å; K579-N582 PolarHBondContact O-N 3.31Å
580	E	97.1	Very high	97.6	Very high	93 Å²	93	62.3 Å²	62.3	44%	0.435	30%	0.304	S	S	.	.	H	α-helix	trans	-66.1	-34.7	-178.1	-66	-60.2	139	0	0	113.1	V538 V541 I576 M577	V538-E580 HydrophobicContact CG1-CG 4.36Å; V538-E580 HydrophobicContact CG2-CG 4.33Å; V541-E580 HydrophobicContact CG1-CB 4.36Å; V541-E580 HydrophobicContact CG2-CB 4.22Å; I576-E580 PolarHBondContact O-N 3.21Å; M577-E580 PolarHBondContact O-N 2.84Å
581	L	96.6	Very high	97.7	Very high	32 Å²	32	62.9 Å²	62.9	17%	0.168	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	4.6	-177.6	-64.4	172.8	0	0	0	113.5	V541 M577 K579 W583	V541-L581 HydrophobicContact CG1-CD2 3.67Å; V541-L581 HydrophobicContact CG1-CG 4.11Å; V541-L581 HydrophobicContact CG2-CD1 4.42Å; V541-L581 HydrophobicContact CG2-CG 4.39Å; M577-L581 HydrophobicContact CE-CD1 3.92Å; M577-L581 VanDerWaalsContact O-CB 3.3Å; M577-L581 WeakPolarHBondContact O-CB 3.31Å; M577-L581 PolarHBondContact O-N 2.93Å; K579-L581 VanDerWaalsContact C-N 3.34Å; K579-L581 PolarHBondContact O-N 3Å; L581-W583 HydrophobicContact CB-CG 4.41Å; L581-W583 HydrophobicContact CD1-CH2 4.37Å; L581-W583 HydrophobicContact CD1-CZ2 3.45Å; L581-W583 VanDerWaalsContact CD1-CZ2 3.45Å; L581-W583 PolarHBondContact O-N 3.22Å
582	N	96.9	Very high	97.7	Very high	146 Å²	146	61.2 Å²	61.2	78%	0.781	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	46.7	-178.6	-58.1	-68.1	0	0	0	113.8	G578 K579	G578-N582 CarbonylContact O-C 3.56Å; G578-N582 VanDerWaalsContact O-CA 3.29Å; G578-N582 WeakPolarHBondContact O-CA 3.26Å; G578-N582 PolarHBondContact O-N 3.31Å; G578-N582 VanDerWaalsContact O-N 3.11Å; K579-N582 PolarHBondContact O-N 3.31Å
583	W	97.6	Very high	97.5	Very high	36 Å²	36	61 Å²	61	14%	0.136	30%	0.298	C	S	.	.			trans	-73.1	141	177.5	-66.6	-12.7	0	0	0	112.3	R546 V574 M577 G578 L581 K587 K588 E591	R546-W583 VanDerWaalsContact O-CZ2 3.31Å; R546-W583 WeakPolarHBondContact O-CZ2 3.16Å; V574-W583 HydrophobicContact CG1-CZ3 4.34Å; M577-W583 HydrophobicContact CB-CE3 4.38Å; M577-W583 HydrophobicContact CB-CH2 3.7Å; M577-W583 HydrophobicContact CB-CZ2 4.34Å; M577-W583 HydrophobicContact CB-CZ3 3.71Å; M577-W583 HydrophobicContact CE-CH2 3.84Å; M577-W583 HydrophobicContact CE-CZ2 4.14Å; M577-W583 HydrophobicContact CG-CH2 4.49Å; M577-W583 HydrophobicContact SD-CH2 4.01Å; G578-W583 PolarHBondContact O-N 3.34Å; L581-W583 HydrophobicContact CB-CG 4.41Å; L581-W583 HydrophobicContact CD1-CH2 4.37Å; L581-W583 HydrophobicContact CD1-CZ2 3.45Å; L581-W583 VanDerWaalsContact CD1-CZ2 3.45Å; L581-W583 PolarHBondContact O-N 3.22Å; W583-K587 HydrophobicContact CB-CB 4.07Å; W583-K587 HydrophobicContact CB-CG 4Å; W583-K587 HydrophobicContact CD2-CG 4.08Å; W583-K587 HydrophobicContact CG-CB 4.36Å; W583-K587 HydrophobicContact CG-CG 3.74Å; W583-K588 HydrophobicContact CB-CG 4.09Å; W583-K588 HydrophobicContact CE3-CG 4.25Å; W583-E591 HydrophobicContact CE3-CG 4.1Å; W583-E591 HydrophobicContact CH2-CB 4.29Å; W583-E591 HydrophobicContact CH2-CG 3.71Å; W583-E591 HydrophobicContact CZ2-CG 4.16Å; W583-E591 HydrophobicContact CZ3-CB 3.95Å; W583-E591 HydrophobicContact CZ3-CG 3.68Å
584	S	97.7	Very high	97.4	Very high	70 Å²	70	63.2 Å²	63.2	49%	0.49	32%	0.316	S	S	.	.			trans	-67.6	159.7	165.9	68.4	0	0	0	0	111	Q586 K587 K588	S584-Q586 PolarHBondContact O-N 2.82Å; S584-K587 PolarHBondContact O-N 3.22Å; S584-K587 PolarHBondContact OG-N 3.21Å; S584-K587 VanDerWaalsContact OG-N 3.13Å; S584-K588 PolarHBondContact O-N 2.96Å
585	E	97.6	Very high	97.4	Very high	137 Å²	137	62.8 Å²	62.8	64%	0.64	31%	0.313	S	S	*	.	H	α-helix	trans	-58.7	-32.9	174	-67.1	-55.2	125.6	0	0	112.3	K588 K589	E585-K588 WeakPolarHBondContact OE1-CE 3.42Å; E585-K588 IonicContact OE1-NZ 3.39Å; E585-K588 PolarHBondContact OE1-NZ 2.94Å; E585-K589 PolarHBondContact O-N 2.56Å; E585-K589 VanDerWaalsContact O-N 3.12Å
586	Q	97.7	Very high	97.1	Very high	134 Å²	134	64.6 Å²	64.6	63%	0.626	32%	0.319	S	S	*	.	H	α-helix	trans	-62.9	-48.1	172.3	-179.7	178.4	-11.2	0	0	111.4	S584 K588 K589 E590	S584-Q586 PolarHBondContact O-N 2.82Å; Q586-K588 VanDerWaalsContact C-N 3.35Å; Q586-K588 PolarHBondContact O-N 3.2Å; Q586-K589 WeakPolarHBondContact O-CB 3.42Å; Q586-K589 PolarHBondContact O-N 3.49Å; Q586-K589 VanDerWaalsContact O-N 3.16Å; Q586-E590 WeakPolarHBondContact CG-OE1 3.41Å; Q586-E590 PolarHBondContact NE2-OE1 3.44Å; Q586-E590 WeakPolarHBondContact O-CG 3.48Å; Q586-E590 PolarHBondContact O-N 3.39Å
587	K	97	Very high	96.8	Very high	64 Å²	64	70.5 Å²	70.5	28%	0.278	35%	0.345	S	S	.	.	H	α-helix	trans	-64.2	-39.6	179.4	-179	55.6	168.2	168	0	111.7	W583 S584 K589 E590 E591	W583-K587 HydrophobicContact CB-CB 4.07Å; W583-K587 HydrophobicContact CB-CG 4Å; W583-K587 HydrophobicContact CD2-CG 4.08Å; W583-K587 HydrophobicContact CG-CB 4.36Å; W583-K587 HydrophobicContact CG-CG 3.74Å; S584-K587 PolarHBondContact O-N 3.22Å; S584-K587 PolarHBondContact OG-N 3.21Å; S584-K587 VanDerWaalsContact OG-N 3.13Å; K587-K589 VanDerWaalsContact C-N 3.29Å; K587-K589 PolarHBondContact O-N 3.03Å; K587-E590 PolarHBondContact O-N 3.22Å; K587-E591 HydrophobicContact CD-CG 4.13Å; K587-E591 VanDerWaalsContact CE-OE1 3.25Å; K587-E591 WeakPolarHBondContact CE-OE1 3.41Å; K587-E591 HydrophobicContact CG-CG 4.43Å; K587-E591 IonicContact NZ-OE1 2.63Å; K587-E591 PolarHBondContact NZ-OE1 2.9Å; K587-E591 WeakPolarHBondContact O-CB 3.46Å; K587-E591 VanDerWaalsContact O-CG 3.32Å; K587-E591 WeakPolarHBondContact O-CG 3.34Å; K587-E591 PolarHBondContact O-N 3.21Å
588	K	98.1	Very high	96.7	Very high	32 Å²	32	71 Å²	71	14%	0.139	35%	0.347	C	S	.	.	H	α-helix	trans	-56.3	-43.9	172.7	-71.3	179.7	-173.9	172.1	0	111.8	V574 W583 S584 E585 Q586 E591 L592	V574-K588 HydrophobicContact CG1-CB 3.61Å; V574-K588 HydrophobicContact CG1-CG 3.88Å; V574-K588 WeakPolarHBondContact CG1-O 3.28Å; W583-K588 HydrophobicContact CB-CG 4.09Å; W583-K588 HydrophobicContact CE3-CG 4.25Å; S584-K588 PolarHBondContact O-N 2.96Å; E585-K588 WeakPolarHBondContact OE1-CE 3.42Å; E585-K588 IonicContact OE1-NZ 3.39Å; E585-K588 PolarHBondContact OE1-NZ 2.94Å; Q586-K588 VanDerWaalsContact C-N 3.35Å; Q586-K588 PolarHBondContact O-N 3.2Å; K588-E591 PolarHBondContact O-N 3.44Å; K588-L592 WeakPolarHBondContact O-CB 3.44Å; K588-L592 PolarHBondContact O-N 3.17Å
589	K	97.6	Very high	96.5	Very high	137 Å²	137	71 Å²	71	60%	0.596	35%	0.346	S	S	*	.	H	α-helix	trans	-64.4	-45.7	176.4	-173.9	-179.6	177.6	-177.4	0	112.1	E585 Q586 K587 E591 L592 D593	E585-K589 PolarHBondContact O-N 2.56Å; E585-K589 VanDerWaalsContact O-N 3.12Å; Q586-K589 WeakPolarHBondContact O-CB 3.42Å; Q586-K589 PolarHBondContact O-N 3.49Å; Q586-K589 VanDerWaalsContact O-N 3.16Å; K587-K589 VanDerWaalsContact C-N 3.29Å; K587-K589 PolarHBondContact O-N 3.03Å; K589-E591 VanDerWaalsContact C-N 3.33Å; K589-E591 PolarHBondContact O-N 2.85Å; K589-L592 PolarHBondContact O-N 3.33Å; K589-D593 WeakPolarHBondContact O-CB 3.38Å; K589-D593 PolarHBondContact O-N 3.22Å
590	E	97.4	Very high	95.9	Very high	88 Å²	88	68.7 Å²	68.7	41%	0.411	34%	0.335	S	S	.	.	H	α-helix	trans	-59.1	-43	177.1	-71.3	168.6	-173.5	0	0	112	Q586 K587 D593 A594	Q586-E590 WeakPolarHBondContact CG-OE1 3.41Å; Q586-E590 PolarHBondContact NE2-OE1 3.44Å; Q586-E590 WeakPolarHBondContact O-CG 3.48Å; Q586-E590 PolarHBondContact O-N 3.39Å; K587-E590 PolarHBondContact O-N 3.22Å; E590-D593 PolarHBondContact O-N 3.42Å; E590-A594 VanDerWaalsContact O-CB 3.28Å; E590-A594 WeakPolarHBondContact O-CB 3.5Å; E590-A594 PolarHBondContact O-N 2.93Å
591	E	97.9	Very high	95.5	Very high	11 Å²	11	69.3 Å²	69.3	5%	0.051	33%	0.334	C	S	.	.	H	α-helix	trans	-65.9	-40.6	176.9	-71.8	-64	137.2	0	0	112.4	T547 A548 W583 K587 K588 K589 A595	T547-E591 WeakPolarHBondContact CA-OE2 3.47Å; T547-E591 VanDerWaalsContact CB-OE2 3.24Å; T547-E591 WeakPolarHBondContact CB-OE2 3.44Å; A548-E591 HydrophobicContact CB-CB 4.38Å; A548-E591 PolarHBondContact N-OE2 2.56Å; W583-E591 HydrophobicContact CE3-CG 4.1Å; W583-E591 HydrophobicContact CH2-CB 4.29Å; W583-E591 HydrophobicContact CH2-CG 3.71Å; W583-E591 HydrophobicContact CZ2-CG 4.16Å; W583-E591 HydrophobicContact CZ3-CB 3.95Å; W583-E591 HydrophobicContact CZ3-CG 3.68Å; K587-E591 HydrophobicContact CD-CG 4.13Å; K587-E591 VanDerWaalsContact CE-OE1 3.25Å; K587-E591 WeakPolarHBondContact CE-OE1 3.41Å; K587-E591 HydrophobicContact CG-CG 4.43Å; K587-E591 IonicContact NZ-OE1 2.63Å; K587-E591 PolarHBondContact NZ-OE1 2.9Å; K587-E591 WeakPolarHBondContact O-CB 3.46Å; K587-E591 VanDerWaalsContact O-CG 3.32Å; K587-E591 WeakPolarHBondContact O-CG 3.34Å; K587-E591 PolarHBondContact O-N 3.21Å; K588-E591 PolarHBondContact O-N 3.44Å; K589-E591 VanDerWaalsContact C-N 3.33Å; K589-E591 PolarHBondContact O-N 2.85Å; E591-A595 VanDerWaalsContact O-CB 3.29Å; E591-A595 WeakPolarHBondContact O-CB 3.35Å; E591-A595 PolarHBondContact O-N 3.33Å
592	L	96.7	Very high	95.4	Very high	40 Å²	40	68.6 Å²	68.6	21%	0.209	33%	0.329	C	S	.	.	H	α-helix	trans	-63.3	-46.5	175.4	-173.6	65.9	0	0	0	111.2	L570 V574 K588 K589 A595 K596	L570-L592 HydrophobicContact CB-CD1 3.74Å; L570-L592 HydrophobicContact CD1-CD1 4.34Å; V574-L592 HydrophobicContact CG2-CB 4.48Å; V574-L592 HydrophobicContact CG2-CD1 4.42Å; K588-L592 WeakPolarHBondContact O-CB 3.44Å; K588-L592 PolarHBondContact O-N 3.17Å; K589-L592 PolarHBondContact O-N 3.33Å; L592-A595 PolarHBondContact O-N 3.19Å; L592-K596 HydrophobicContact CG-CD 4.5Å; L592-K596 WeakPolarHBondContact O-CB 3.35Å; L592-K596 WeakPolarHBondContact O-CG 3.46Å; L592-K596 PolarHBondContact O-N 3.17Å
593	D	94.5	Very high	95.3	Very high	75 Å²	75	61.6 Å²	61.6	40%	0.401	29%	0.292	S	S	.	.	H	α-helix	trans	-65.5	-40.6	179.4	-72.6	-18.2	0	0	0	111.5	K589 E590 K596 K597	K589-D593 WeakPolarHBondContact O-CB 3.38Å; K589-D593 PolarHBondContact O-N 3.22Å; E590-D593 PolarHBondContact O-N 3.42Å; D593-K596 PolarHBondContact O-N 3.39Å; D593-K597 WeakPolarHBondContact O-CG 3.15Å; D593-K597 PolarHBondContact O-N 3.24Å
594	A	96.3	Very high	94.6	Very high	46 Å²	46	60.2 Å²	60.2	38%	0.38	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-44.6	175.5	0	0	0	0	0	111.7	E590 K597 F598	E590-A594 VanDerWaalsContact O-CB 3.28Å; E590-A594 WeakPolarHBondContact O-CB 3.5Å; E590-A594 PolarHBondContact O-N 2.93Å; A594-K597 PolarHBondContact O-N 2.87Å; A594-F598 PolarHBondContact O-N 3.37Å
595	A	97.4	Very high	93.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-40.2	177.5	0	0	0	0	0	112.6	A548 V549 I552 L570 E591 L592 K597 F598 L599	A548-A595 HydrophobicContact CB-CB 4.09Å; V549-A595 HydrophobicContact CG2-CB 3.89Å; I552-A595 HydrophobicContact CD1-CB 4.27Å; L570-A595 HydrophobicContact CD1-CB 3.74Å; L570-A595 HydrophobicContact CD2-CB 3.53Å; L570-A595 HydrophobicContact CG-CB 4.31Å; E591-A595 VanDerWaalsContact O-CB 3.29Å; E591-A595 WeakPolarHBondContact O-CB 3.35Å; E591-A595 PolarHBondContact O-N 3.33Å; L592-A595 PolarHBondContact O-N 3.19Å; A595-K597 PolarHBondContact O-N 3.41Å; A595-F598 WeakPolarHBondContact O-CB 3.32Å; A595-F598 PolarHBondContact O-N 2.85Å; A595-L599 WeakPolarHBondContact O-CG 3.33Å; A595-L599 PolarHBondContact O-N 3.4Å
596	K	92.5	Very high	92.1	Very high	81 Å²	81	56.6 Å²	56.6	35%	0.352	26%	0.261	S	S	.	.	H	α-helix	trans	-62.1	-41.8	173.5	-76.2	-176.6	173.6	-156.8	0	112.2	E567 L570 L592 D593 F598 L599 Y600	E567-K596 WeakPolarHBondContact OE1-CE 3.17Å; E567-K596 IonicContact OE1-NZ 3.1Å; E567-K596 PolarHBondContact OE1-NZ 2.86Å; L570-K596 HydrophobicContact CD1-CG 4.13Å; L592-K596 HydrophobicContact CG-CD 4.5Å; L592-K596 WeakPolarHBondContact O-CB 3.35Å; L592-K596 WeakPolarHBondContact O-CG 3.46Å; L592-K596 PolarHBondContact O-N 3.17Å; D593-K596 PolarHBondContact O-N 3.39Å; K596-F598 PolarHBondContact O-N 3.42Å; K596-L599 PolarHBondContact O-N 2.96Å; K596-Y600 VanDerWaalsContact O-CB 3.26Å; K596-Y600 WeakPolarHBondContact O-CB 3.33Å; K596-Y600 PolarHBondContact O-N 3.31Å
597	K	93	Very high	90.2	Very high	137 Å²	137	51.2 Å²	51.2	60%	0.596	24%	0.237	S	C	*	.	H	α-helix	trans	-61.8	-42.5	173.9	-74.6	173	-177.4	174.3	0	112	D593 A594 A595 Y600 Y601	D593-K597 WeakPolarHBondContact O-CG 3.15Å; D593-K597 PolarHBondContact O-N 3.24Å; A594-K597 PolarHBondContact O-N 2.87Å; A595-K597 PolarHBondContact O-N 3.41Å; K597-Y600 PolarHBondContact O-N 3.33Å; K597-Y601 HydrophobicContact CB-CD2 4.4Å; K597-Y601 VanDerWaalsContact O-CD2 3.29Å; K597-Y601 WeakPolarHBondContact O-CD2 3.5Å; K597-Y601 PolarHBondContact O-N 2.85Å
598	F	96.4	Very high	88.3	Confident	10 Å²	10	49 Å²	49	4%	0.044	23%	0.228	C	C	.	.	H	α-helix	trans	-58.6	-48.7	175.3	170.2	-97.9	0	0	0	111.5	V549 I552 A559 A594 A595 K596 Y600 E602 M603	V549-F598 HydrophobicContact CG1-CD1 4.33Å; V549-F598 HydrophobicContact CG1-CD2 4.19Å; V549-F598 HydrophobicContact CG1-CE2 4.48Å; V549-F598 HydrophobicContact CG1-CG 4.12Å; V549-F598 HydrophobicContact CG2-CB 3.96Å; V549-F598 HydrophobicContact CG2-CD1 4.44Å; V549-F598 HydrophobicContact CG2-CG 4.2Å; I552-F598 HydrophobicContact CD1-CD1 4.21Å; A559-F598 HydrophobicContact CB-CE1 4.13Å; A594-F598 PolarHBondContact O-N 3.37Å; A595-F598 WeakPolarHBondContact O-CB 3.32Å; A595-F598 PolarHBondContact O-N 2.85Å; K596-F598 PolarHBondContact O-N 3.42Å; F598-Y600 VanDerWaalsContact C-N 3.34Å; F598-Y600 PolarHBondContact O-N 2.93Å; F598-E602 HydrophobicContact CD2-CB 3.87Å; F598-E602 HydrophobicContact CD2-CG 4.16Å; F598-E602 HydrophobicContact CE2-CB 3.89Å; F598-E602 HydrophobicContact CE2-CG 4.48Å; F598-E602 WeakPolarHBondContact O-CA 3.38Å; F598-E602 WeakPolarHBondContact O-CB 3.33Å; F598-E602 PolarHBondContact O-N 3.46Å; F598-M603 HydrophobicContact CD1-CG 4.04Å; F598-M603 HydrophobicContact CE1-CG 3.47Å; F598-M603 VanDerWaalsContact CE1-CG 3.47Å; F598-M603 HydrophobicContact CE1-SD 3.8Å; F598-M603 HydrophobicContact CE2-SD 4.26Å; F598-M603 HydrophobicContact CZ-CG 3.76Å; F598-M603 HydrophobicContact CZ-SD 3.46Å; F598-M603 WeakPolarHBondContact CZ-SD 3.3Å; F598-M603 PolarHBondContact O-N 2.89Å
599	L	92.3	Very high	86.2	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-43.5	175.3	-69.3	-176.9	0	0	0	112	I552 A559 V563 A566 E567 L570 A595 K596 M603 Y605	I552-L599 HydrophobicContact CD1-CD1 4.46Å; I552-L599 HydrophobicContact CD1-CD2 3.99Å; I552-L599 HydrophobicContact CD1-CG 4.19Å; A559-L599 HydrophobicContact CB-CD2 3.6Å; V563-L599 HydrophobicContact CG1-CB 3.7Å; V563-L599 HydrophobicContact CG1-CD1 4.32Å; V563-L599 HydrophobicContact CG1-CD2 4.01Å; V563-L599 HydrophobicContact CG1-CG 4.2Å; A566-L599 HydrophobicContact CB-CD1 4.03Å; A566-L599 HydrophobicContact CB-CD2 3.97Å; E567-L599 HydrophobicContact CB-CD1 3.98Å; L570-L599 HydrophobicContact CD1-CD1 3.77Å; A595-L599 WeakPolarHBondContact O-CG 3.33Å; A595-L599 PolarHBondContact O-N 3.4Å; K596-L599 PolarHBondContact O-N 2.96Å; L599-M603 HydrophobicContact CD2-CB 4.41Å; L599-M603 HydrophobicContact CD2-CG 4.13Å; L599-Y605 WeakPolarHBondContact O-CB 3.34Å
600	Y	85.8	Confident	83.8	Confident	71 Å²	71	46.2 Å²	46.2	28%	0.278	22%	0.224	S	C	.	.	H	α-helix	trans	-60.8	-52.9	-179	-164	-101.8	0	0	0	112.5	K596 K597 F598 Y605 K606	K596-Y600 VanDerWaalsContact O-CB 3.26Å; K596-Y600 WeakPolarHBondContact O-CB 3.33Å; K596-Y600 PolarHBondContact O-N 3.31Å; K597-Y600 PolarHBondContact O-N 3.33Å; F598-Y600 VanDerWaalsContact C-N 3.34Å; F598-Y600 PolarHBondContact O-N 2.93Å; Y600-Y605 AromaticContact CD2-CD1 3.7Å; Y600-Y605 HydrophobicContact CD2-CD1 3.7Å; Y600-Y605 HydrophobicContact CD2-CE1 4.36Å; Y600-Y605 HydrophobicContact CE2-CD1 4.11Å; Y600-Y605 PolarHBondContact O-N 3.45Å; Y600-K606 HydrophobicContact CD1-CB 3.71Å; Y600-K606 HydrophobicContact CD1-CD 4.35Å; Y600-K606 HydrophobicContact CD1-CG 4.23Å; Y600-K606 HydrophobicContact CD2-CB 4.4Å; Y600-K606 HydrophobicContact CE1-CB 3.41Å; Y600-K606 VanDerWaalsContact CE1-CB 3.41Å; Y600-K606 HydrophobicContact CE1-CD 3.67Å; Y600-K606 HydrophobicContact CE1-CG 3.46Å; Y600-K606 VanDerWaalsContact CE1-CG 3.46Å; Y600-K606 HydrophobicContact CE2-CB 4.11Å; Y600-K606 HydrophobicContact CG-CB 4.2Å; Y600-K606 VanDerWaalsContact O-CB 3.24Å; Y600-K606 WeakPolarHBondContact O-CB 3.43Å; Y600-K606 PolarHBondContact O-N 3.44Å
601	Y	88.8	Confident	81.4	Confident	105 Å²	105	44.6 Å²	44.6	41%	0.412	22%	0.216	S	C	.	.	H	α-helix	trans	-94.1	-50.1	-172.3	-65.8	-72.1	0	0	0	112.9	I366 K597 K606	I366-Y601 WeakPolarHBondContact CG2-O 3.43Å; K597-Y601 HydrophobicContact CB-CD2 4.4Å; K597-Y601 VanDerWaalsContact O-CD2 3.29Å; K597-Y601 WeakPolarHBondContact O-CD2 3.5Å; K597-Y601 PolarHBondContact O-N 2.85Å; Y601-K606 HydrophobicContact CD1-CD 4.12Å; Y601-K606 HydrophobicContact CE1-CD 3.94Å
602	E	94.6	Very high	78.8	Confident	17 Å²	17	47.5 Å²	47.5	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-87.6	-21.1	-168	-60.2	-173.3	-128	0	0	113.4	R110 H364 I366 F598	R110-E602 IonicContact CZ-OE2 2.68Å; R110-E602 IonicContact NH1-OE2 2.78Å; R110-E602 IonicContact NH2-OE2 3.48Å; R110-E602 PolarHBondContact NH2-OE2 2.99Å; H364-E602 HydrophobicContact CB-CG 4.36Å; H364-E602 IonicContact CE1-OE1 2.71Å; H364-E602 IonicContact CG-OE1 3.59Å; H364-E602 IonicContact ND1-OE1 2.66Å; H364-E602 PolarHBondContact ND1-OE1 3.43Å; H364-E602 IonicContact ND1-OE2 2.7Å; I366-E602 HydrophobicContact CG1-CG 4.45Å; F598-E602 HydrophobicContact CD2-CB 3.87Å; F598-E602 HydrophobicContact CD2-CG 4.16Å; F598-E602 HydrophobicContact CE2-CB 3.89Å; F598-E602 HydrophobicContact CE2-CG 4.48Å; F598-E602 WeakPolarHBondContact O-CA 3.38Å; F598-E602 WeakPolarHBondContact O-CB 3.33Å; F598-E602 PolarHBondContact O-N 3.46Å
603	M	94.6	Very high	76.1	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-104.4	9.3	179.2	-53.6	-51.4	-61.6	0	0	114.1	A397 W398 A559 F560 V563 F598 L599	A397-M603 PolarHBondContact N-O 3.12Å; A397-M603 CarbonylContact O-C 3.57Å; A397-M603 WeakPolarHBondContact O-CA 3.38Å; W398-M603 HydrophobicContact CB-CE 4.05Å; W398-M603 HydrophobicContact CB-SD 4.31Å; A559-M603 HydrophobicContact CB-CG 4.37Å; A559-M603 WeakPolarHBondContact O-CE 3.49Å; F560-M603 HydrophobicContact CB-CE 4.22Å; F560-M603 HydrophobicContact CD1-CE 3.82Å; F560-M603 HydrophobicContact CD2-CE 3.73Å; F560-M603 HydrophobicContact CE1-CE 4.09Å; F560-M603 HydrophobicContact CE2-CE 4Å; F560-M603 HydrophobicContact CE2-SD 4.38Å; F560-M603 HydrophobicContact CG-CE 3.64Å; F560-M603 HydrophobicContact CZ-CE 4.18Å; F560-M603 HydrophobicContact CZ-SD 4.5Å; V563-M603 HydrophobicContact CG2-CB 3.62Å; V563-M603 WeakPolarHBondContact CG2-O 3.3Å; F598-M603 HydrophobicContact CD1-CG 4.04Å; F598-M603 HydrophobicContact CE1-CG 3.47Å; F598-M603 VanDerWaalsContact CE1-CG 3.47Å; F598-M603 HydrophobicContact CE1-SD 3.8Å; F598-M603 HydrophobicContact CE2-SD 4.26Å; F598-M603 HydrophobicContact CZ-CG 3.76Å; F598-M603 HydrophobicContact CZ-SD 3.46Å; F598-M603 WeakPolarHBondContact CZ-SD 3.3Å; F598-M603 PolarHBondContact O-N 2.89Å; L599-M603 HydrophobicContact CD2-CB 4.41Å; L599-M603 HydrophobicContact CD2-CG 4.13Å
604	G	81.9	Confident	73.4	Confident	6 Å²	6	54.4 Å²	54.4	6%	0.062	27%	0.273	C	S	.	.	S	Bend	trans	83.9	9.3	169.1	0	0	0	0	0	116.4	A397 V607 K608	A397-G604 PolarHBondContact O-N 3.12Å; G604-V607 PolarHBondContact O-N 2.96Å; G604-K608 PolarHBondContact O-N 3.5Å
605	Y	76.5	Confident	70.8	Confident	50 Å²	50	55.4 Å²	55.4	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-69.5	-39.6	-176.7	-174.6	-95.2	0	0	0	113.7	V563 Q564 L599 Y600 V607 K608 S609	V563-Y605 HydrophobicContact CB-CD2 4.25Å; V563-Y605 HydrophobicContact CG1-CD2 3.73Å; V563-Y605 HydrophobicContact CG1-CG 3.96Å; Q564-Y605 HydrophobicContact CG-CD2 4.26Å; Q564-Y605 HydrophobicContact CG-CE2 3.65Å; L599-Y605 WeakPolarHBondContact O-CB 3.34Å; Y600-Y605 AromaticContact CD2-CD1 3.7Å; Y600-Y605 HydrophobicContact CD2-CD1 3.7Å; Y600-Y605 HydrophobicContact CD2-CE1 4.36Å; Y600-Y605 HydrophobicContact CE2-CD1 4.11Å; Y600-Y605 PolarHBondContact O-N 3.45Å; Y605-V607 PolarHBondContact O-N 3.26Å; Y605-K608 WeakPolarHBondContact O-CA 3.45Å; Y605-K608 WeakPolarHBondContact O-CB 3.25Å; Y605-K608 PolarHBondContact O-N 3.3Å; Y605-S609 PolarHBondContact O-N 3.49Å
606	K	67.1	Low	68.2	Low	81 Å²	81	58 Å²	58	35%	0.352	30%	0.295	S	S	.	.	H	α-helix	trans	-50.3	-44.9	172	178.1	179.4	179.2	-168.5	0	111.8	Y600 Y601 K608 S609 D610	Y600-K606 HydrophobicContact CD1-CB 3.71Å; Y600-K606 HydrophobicContact CD1-CD 4.35Å; Y600-K606 HydrophobicContact CD1-CG 4.23Å; Y600-K606 HydrophobicContact CD2-CB 4.4Å; Y600-K606 HydrophobicContact CE1-CB 3.41Å; Y600-K606 VanDerWaalsContact CE1-CB 3.41Å; Y600-K606 HydrophobicContact CE1-CD 3.67Å; Y600-K606 HydrophobicContact CE1-CG 3.46Å; Y600-K606 VanDerWaalsContact CE1-CG 3.46Å; Y600-K606 HydrophobicContact CE2-CB 4.11Å; Y600-K606 HydrophobicContact CG-CB 4.2Å; Y600-K606 VanDerWaalsContact O-CB 3.24Å; Y600-K606 WeakPolarHBondContact O-CB 3.43Å; Y600-K606 PolarHBondContact O-N 3.44Å; Y601-K606 HydrophobicContact CD1-CD 4.12Å; Y601-K606 HydrophobicContact CE1-CD 3.94Å; K606-K608 VanDerWaalsContact C-N 3.25Å; K606-K608 PolarHBondContact O-N 2.78Å; K606-S609 WeakPolarHBondContact CA-OG 3.49Å; K606-S609 PolarHBondContact O-N 2.95Å; K606-S609 VanDerWaalsContact O-N 3.14Å; K606-S609 PolarHBondContact O-OG 3.42Å; K606-D610 WeakPolarHBondContact CE-OD2 3.2Å; K606-D610 WeakPolarHBondContact CG-OD2 3.19Å; K606-D610 PolarHBondContact O-N 3.1Å
607	V	58.3	Low	65.9	Low	22 Å²	22	63.2 Å²	63.2	13%	0.133	32%	0.321	C	S	.	.	H	α-helix	trans	-70.2	-30.5	-173.6	-157	0	0	0	0	110.8	E369 I372 G604 Y605	E369-V607 HydrophobicContact CB-CG1 3.35Å; E369-V607 HydrophobicContact CG-CG1 3.66Å; E369-V607 WeakPolarHBondContact OE2-CG1 3.04Å; I372-V607 HydrophobicContact CD1-CB 4.43Å; I372-V607 HydrophobicContact CD1-CG1 4.41Å; G604-V607 PolarHBondContact O-N 2.96Å; Y605-V607 PolarHBondContact O-N 3.26Å
608	K	57.1	Low	64.1	Low	16 Å²	16	58 Å²	58	7%	0.07	30%	0.299	C	S	.	.	H	α-helix	trans	-66.6	-46.1	169.2	-169.1	-179.4	178.8	-177.1	0	110.9	G604 Y605 K606 L612 N674 E680	G604-K608 PolarHBondContact O-N 3.5Å; Y605-K608 WeakPolarHBondContact O-CA 3.45Å; Y605-K608 WeakPolarHBondContact O-CB 3.25Å; Y605-K608 PolarHBondContact O-N 3.3Å; K606-K608 VanDerWaalsContact C-N 3.25Å; K606-K608 PolarHBondContact O-N 2.78Å; K608-L612 HydrophobicContact CG-CD1 4.45Å; K608-L612 WeakPolarHBondContact O-CG 3.46Å; K608-L612 PolarHBondContact O-N 3.47Å; K608-N674 PolarHBondContact NZ-ND2 2.97Å; K608-E680 WeakPolarHBondContact CE-OE1 3.31Å; K608-E680 IonicContact NZ-OE1 3.43Å; K608-E680 PolarHBondContact NZ-OE1 3.2Å; K608-E680 IonicContact NZ-OE2 3.24Å
609	S	52.9	Low	62.1	Low	36 Å²	36	61.7 Å²	61.7	25%	0.252	33%	0.326	S	S	.	.	H	α-helix	trans	-67.6	-40.7	-177.3	59.3	0	0	0	0	114	Y605 K606 Q611	Y605-S609 PolarHBondContact O-N 3.49Å; K606-S609 WeakPolarHBondContact CA-OG 3.49Å; K606-S609 PolarHBondContact O-N 2.95Å; K606-S609 VanDerWaalsContact O-N 3.14Å; K606-S609 PolarHBondContact O-OG 3.42Å; S609-Q611 VanDerWaalsContact C-N 3.32Å; S609-Q611 PolarHBondContact O-N 3.24Å
610	D	48.7	Very low	60.7	Low	76 Å²	76	62.4 Å²	62.4	41%	0.406	33%	0.33	S	S	.	.	H	α-helix	trans	-70.5	-26.8	-176.7	-68.1	-8.4	0	0	0	112.4	K606 T613	K606-D610 WeakPolarHBondContact CE-OD2 3.2Å; K606-D610 WeakPolarHBondContact CG-OD2 3.19Å; K606-D610 PolarHBondContact O-N 3.1Å; D610-T613 PolarHBondContact O-OG1 2.82Å
611	Q	47.1	Very low	60.1	Low	53 Å²	53	64.2 Å²	64.2	25%	0.248	34%	0.343	C	S	.	.	H	α-helix	trans	-84.8	-31.5	178.8	-164.3	-165.4	36.2	0	0	113	E369 S609 T613 D614 S615	E369-Q611 PolarHBondContact OE1-NE2 2.83Å; S609-Q611 VanDerWaalsContact C-N 3.32Å; S609-Q611 PolarHBondContact O-N 3.24Å; Q611-T613 PolarHBondContact O-N 3Å; Q611-T613 VanDerWaalsContact O-N 3.08Å; Q611-D614 PolarHBondContact O-N 3.43Å; Q611-S615 PolarHBondContact O-N 3.33Å
612	L	42.6	Very low	59.3	Low	72 Å²	72	64 Å²	64	38%	0.377	36%	0.355	S	S	.	.	H	α-helix	trans	-56	-24.1	173.4	-77.2	166.6	0	0	0	112	K608 N682	K608-L612 HydrophobicContact CG-CD1 4.45Å; K608-L612 WeakPolarHBondContact O-CG 3.46Å; K608-L612 PolarHBondContact O-N 3.47Å; L612-N682 HydrophobicContact CD2-CB 4.48Å
613	T	39.2	Very low	58.3	Low	114 Å²	114	67 Å²	67	70%	0.699	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-24.2	174.9	42.1	0	0	0	0	115	D610 Q611	D610-T613 PolarHBondContact O-OG1 2.82Å; Q611-T613 PolarHBondContact O-N 3Å; Q611-T613 VanDerWaalsContact O-N 3.08Å
614	D	38	Very low	57.5	Low	146 Å²	146	67.8 Å²	67.8	78%	0.781	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-20.3	-163.9	-94.6	-6.8	0	0	0	116.5	Q611	Q611-D614 PolarHBondContact O-N 3.43Å
615	S	42.5	Very low	57.1	Low	67 Å²	67	68.5 Å²	68.5	47%	0.469	39%	0.385	S	S	.	.			trans	-153.3	116.8	-177	52.1	0	0	0	0	114.7	Q611	Q611-S615 PolarHBondContact O-N 3.33Å
616	S	42.6	Very low	57.1	Low	54 Å²	54	71.8 Å²	71.8	38%	0.378	40%	0.402	S	S	.	.			trans	-116.1	93.1	171	64.1	0	0	0	0	110	I618	S616-I618 PolarHBondContact O-N 3.44Å
617	E	45.1	Very low	57.8	Low	192 Å²	192	73.1 Å²	73.1	90%	0.897	40%	0.404	S	S	*	.			trans	-72.5	79	163.3	-75.4	-170.5	159.8	0	0	109.1
618	I	53.8	Low	59.1	Low	26 Å²	26	72.7 Å²	72.7	13%	0.133	40%	0.4	C	S	.	.			trans	-116.5	121.4	179.5	-60	174	0	0	0	107.9	S616 L620 L685	S616-I618 PolarHBondContact O-N 3.44Å; I618-L620 HydrophobicContact CG2-CB 3.91Å; I618-L620 HydrophobicContact CG2-CD1 3.56Å; I618-L620 HydrophobicContact CG2-CG 3.57Å; I618-L620 PolarHBondContact O-N 3.45Å; I618-L685 HydrophobicContact CD1-CB 3.59Å; I618-L685 HydrophobicContact CD1-CD1 3.37Å; I618-L685 HydrophobicContact CD1-CG 4.11Å; I618-L685 HydrophobicContact CG2-CB 4.45Å
619	S	54.9	Low	60.3	Low	88 Å²	88	74.8 Å²	74.8	62%	0.615	41%	0.409	S	S	*	.			trans	-73	63.1	174.6	175.7	0	0	0	0	110.4	K693	S619-K693 PolarHBondContact OG-NZ 2.97Å; S619-K693 VanDerWaalsContact OG-NZ 3.14Å
620	L	61.9	Low	61.8	Low	19 Å²	19	79.9 Å²	79.9	10%	0.099	43%	0.427	C	S	.	.	S	Bend	trans	-129.7	145.8	173.5	-74	177.6	0	0	0	108.3	I618 I625 Y628 L685	I618-L620 HydrophobicContact CG2-CB 3.91Å; I618-L620 HydrophobicContact CG2-CD1 3.56Å; I618-L620 HydrophobicContact CG2-CG 3.57Å; I618-L620 PolarHBondContact O-N 3.45Å; L620-I625 HydrophobicContact CB-CD1 3.96Å; L620-I625 HydrophobicContact CB-CG1 3.44Å; L620-I625 VanDerWaalsContact CB-CG1 3.44Å; L620-I625 HydrophobicContact CD1-CG1 4.09Å; L620-I625 HydrophobicContact CG-CG1 4.42Å; L620-Y628 HydrophobicContact CD1-CD2 3.8Å; L620-Y628 HydrophobicContact CD1-CE2 3.99Å; L620-Y628 HydrophobicContact CD2-CE2 4.18Å; L620-L685 HydrophobicContact CD1-CB 4.46Å; L620-L685 HydrophobicContact CD1-CD2 4.25Å
621	I	73.9	Confident	63.5	Low	108 Å²	108	77.7 Å²	77.7	55%	0.554	41%	0.413	S	S	*	.			trans	-66.9	141	173.7	-54.9	171.8	0	0	0	107.4	S623 D624 I625	I621-S623 PolarHBondContact O-N 3Å; I621-D624 PolarHBondContact O-N 3.18Å; I621-I625 PolarHBondContact O-N 2.94Å
622	P	71.3	Confident	65.4	Low	101 Å²	101	75.1 Å²	75.1	66%	0.656	40%	0.401	S	S	*	.	H	α-helix	trans	-49.8	-34.1	-176.7	-31.8	36.2	0	0	0	115	I625 E626	P622-I625 PolarHBondContact O-N 3.27Å; P622-E626 PolarHBondContact O-N 2.89Å; P622-E626 VanDerWaalsContact O-N 3.1Å
623	S	74.1	Confident	67.5	Low	81 Å²	81	76 Å²	76	57%	0.566	40%	0.403	S	S	*	.	H	α-helix	trans	-66.4	-34.8	175.8	57.1	0	0	0	0	114.2	I621 R627	I621-S623 PolarHBondContact O-N 3Å; S623-R627 PolarHBondContact O-N 3.35Å
624	D	77.2	Confident	69.6	Low	16 Å²	16	72.8 Å²	72.8	9%	0.086	38%	0.381	C	S	.	.	H	α-helix	trans	-74	-37.8	176.6	-76.6	-36.2	0	0	0	110.6	I621 R627 Y628 Q692	I621-D624 PolarHBondContact O-N 3.18Å; D624-R627 PolarHBondContact O-N 3.42Å; D624-R627 IonicContact OD1-CZ 2.81Å; D624-R627 IonicContact OD1-NH1 3.42Å; D624-R627 IonicContact OD1-NH2 3.87Å; D624-R627 PolarHBondContact OD1-NH2 3.11Å; D624-Y628 HydrophobicContact CB-CD2 4.47Å; D624-Y628 HydrophobicContact CB-CE2 4Å; D624-Y628 WeakPolarHBondContact O-CD2 3.45Å; D624-Y628 VanDerWaalsContact O-CG 3.26Å; D624-Y628 PolarHBondContact O-N 2.92Å; D624-Q692 PolarHBondContact OD2-NE2 2.92Å
625	I	74.4	Confident	71.9	Confident	21 Å²	21	66 Å²	66	11%	0.108	34%	0.344	C	S	.	.	H	α-helix	trans	-58.9	-49.3	175.1	-62.7	177.5	0	0	0	110.1	L620 I621 P622 R627 Y628 K629 L685	L620-I625 HydrophobicContact CB-CD1 3.96Å; L620-I625 HydrophobicContact CB-CG1 3.44Å; L620-I625 VanDerWaalsContact CB-CG1 3.44Å; L620-I625 HydrophobicContact CD1-CG1 4.09Å; L620-I625 HydrophobicContact CG-CG1 4.42Å; I621-I625 PolarHBondContact O-N 2.94Å; P622-I625 PolarHBondContact O-N 3.27Å; I625-R627 VanDerWaalsContact C-N 3.34Å; I625-R627 PolarHBondContact O-N 2.78Å; I625-Y628 PolarHBondContact O-N 3.2Å; I625-K629 HydrophobicContact CG2-CD 3.94Å; I625-K629 HydrophobicContact CG2-CG 4.2Å; I625-K629 WeakPolarHBondContact O-CB 3.13Å; I625-K629 WeakPolarHBondContact O-CG 3.26Å; I625-K629 PolarHBondContact O-N 2.89Å; I625-L685 HydrophobicContact CG2-CD1 4.43Å
626	E	75.9	Confident	73.9	Confident	119 Å²	119	62.9 Å²	62.9	56%	0.556	32%	0.323	S	S	*	.	H	α-helix	trans	-61.1	-41.1	178.5	-74.8	-58	129.2	0	0	112.4	P622 Y628 K630	P622-E626 PolarHBondContact O-N 2.89Å; P622-E626 VanDerWaalsContact O-N 3.1Å; E626-Y628 PolarHBondContact O-N 3.2Å; E626-K630 WeakPolarHBondContact O-CB 3.2Å; E626-K630 PolarHBondContact O-N 3.41Å
627	R	81.8	Confident	75.7	Confident	108 Å²	108	67.2 Å²	67.2	41%	0.408	33%	0.334	S	S	.	.	H	α-helix	trans	-61.3	-46.1	175.6	-176.4	179	66.2	-151.7	-8.3	111.7	S623 D624 I625 K630 R631	S623-R627 PolarHBondContact O-N 3.35Å; D624-R627 PolarHBondContact O-N 3.42Å; D624-R627 IonicContact OD1-CZ 2.81Å; D624-R627 IonicContact OD1-NH1 3.42Å; D624-R627 IonicContact OD1-NH2 3.87Å; D624-R627 PolarHBondContact OD1-NH2 3.11Å; I625-R627 VanDerWaalsContact C-N 3.34Å; I625-R627 PolarHBondContact O-N 2.78Å; R627-K630 WeakPolarHBondContact O-CB 3.17Å; R627-K630 PolarHBondContact O-N 2.79Å; R627-R631 PolarHBondContact O-N 3.13Å; R627-R631 VanDerWaalsContact O-N 3.16Å
628	Y	85.2	Confident	77.3	Confident	13 Å²	13	62.6 Å²	62.6	5%	0.051	32%	0.316	C	S	.	.	H	α-helix	trans	-73.7	-36.9	-178.6	-60.5	-34.8	0	0	0	112.4	L620 D624 I625 E626 K630 R631 F632 F684 L685 M688	L620-Y628 HydrophobicContact CD1-CD2 3.8Å; L620-Y628 HydrophobicContact CD1-CE2 3.99Å; L620-Y628 HydrophobicContact CD2-CE2 4.18Å; D624-Y628 HydrophobicContact CB-CD2 4.47Å; D624-Y628 HydrophobicContact CB-CE2 4Å; D624-Y628 WeakPolarHBondContact O-CD2 3.45Å; D624-Y628 VanDerWaalsContact O-CG 3.26Å; D624-Y628 PolarHBondContact O-N 2.92Å; I625-Y628 PolarHBondContact O-N 3.2Å; E626-Y628 PolarHBondContact O-N 3.2Å; Y628-K630 VanDerWaalsContact C-N 3.27Å; Y628-K630 PolarHBondContact O-N 2.89Å; Y628-R631 WeakPolarHBondContact O-CB 3.36Å; Y628-R631 PolarHBondContact O-N 2.78Å; Y628-R631 VanDerWaalsContact O-N 3.16Å; Y628-F632 WeakPolarHBondContact O-CB 3.41Å; Y628-F632 PolarHBondContact O-N 3.08Å; Y628-F684 WeakPolarHBondContact O-CE1 3.43Å; Y628-L685 HydrophobicContact CD2-CD2 4.11Å; Y628-L685 HydrophobicContact CG-CD2 4.27Å; Y628-M688 HydrophobicContact CD1-CB 4.2Å; Y628-M688 HydrophobicContact CD1-CE 3.67Å; Y628-M688 HydrophobicContact CD1-CG 3.93Å; Y628-M688 HydrophobicContact CD2-CB 3.57Å; Y628-M688 HydrophobicContact CD2-CG 4.07Å; Y628-M688 HydrophobicContact CE1-CB 4.16Å; Y628-M688 HydrophobicContact CE1-CE 3.19Å; Y628-M688 HydrophobicContact CE1-CG 4.18Å; Y628-M688 HydrophobicContact CE2-CB 3.51Å; Y628-M688 HydrophobicContact CE2-CG 4.31Å; Y628-M688 HydrophobicContact CG-CB 3.93Å; Y628-M688 HydrophobicContact CG-CG 3.89Å
629	K	83.5	Confident	78.4	Confident	60 Å²	60	69.8 Å²	69.8	26%	0.261	35%	0.346	S	S	.	.	H	α-helix	trans	-55.7	-44.6	169.4	-78.9	-178.3	176.4	179.8	0	111.2	I625 R631 F632 H633 L681	I625-K629 HydrophobicContact CG2-CD 3.94Å; I625-K629 HydrophobicContact CG2-CG 4.2Å; I625-K629 WeakPolarHBondContact O-CB 3.13Å; I625-K629 WeakPolarHBondContact O-CG 3.26Å; I625-K629 PolarHBondContact O-N 2.89Å; K629-R631 PolarHBondContact O-N 3.17Å; K629-F632 WeakPolarHBondContact O-CB 3.3Å; K629-F632 PolarHBondContact O-N 3.5Å; K629-H633 PolarHBondContact O-CD2 3.37Å; K629-H633 PolarHBondContact O-N 2.85Å; K629-L681 HydrophobicContact CG-CD1 4.03Å; K629-L681 HydrophobicContact CG-CD2 4.11Å
630	K	84	Confident	79.3	Confident	144 Å²	144	69.1 Å²	69.1	63%	0.626	33%	0.332	S	S	*	.	H	α-helix	trans	-59.2	-45.7	176.1	-170	-179.3	178.5	-173.9	0	112	E626 R627 Y628 H633 M634	E626-K630 WeakPolarHBondContact O-CB 3.2Å; E626-K630 PolarHBondContact O-N 3.41Å; R627-K630 WeakPolarHBondContact O-CB 3.17Å; R627-K630 PolarHBondContact O-N 2.79Å; Y628-K630 VanDerWaalsContact C-N 3.27Å; Y628-K630 PolarHBondContact O-N 2.89Å; K630-H633 PolarHBondContact O-N 2.86Å; K630-M634 WeakPolarHBondContact O-CG 3.27Å; K630-M634 PolarHBondContact O-N 2.93Å
631	R	85.5	Confident	79.8	Confident	29 Å²	29	70 Å²	70	11%	0.109	35%	0.346	C	S	.	.	H	α-helix	trans	-60.3	-44.6	175.2	-73.5	178.8	178.6	-172.9	-11.1	112.3	R627 Y628 K629 H633 M634 F684 E709	R627-R631 PolarHBondContact O-N 3.13Å; R627-R631 VanDerWaalsContact O-N 3.16Å; Y628-R631 WeakPolarHBondContact O-CB 3.36Å; Y628-R631 PolarHBondContact O-N 2.78Å; Y628-R631 VanDerWaalsContact O-N 3.16Å; K629-R631 PolarHBondContact O-N 3.17Å; R631-H633 PolarHBondContact O-N 3.23Å; R631-M634 WeakPolarHBondContact O-CB 3.49Å; R631-M634 PolarHBondContact O-N 3.23Å; R631-F684 HydrophobicContact CB-CE1 4.21Å; R631-F684 HydrophobicContact CB-CZ 4.2Å; R631-E709 IonicContact CZ-OE2 2.99Å; R631-E709 IonicContact NE-OE1 3.19Å; R631-E709 IonicContact NE-OE2 2.69Å; R631-E709 PolarHBondContact NE-OE2 3.47Å; R631-E709 IonicContact NH2-OE2 2.63Å; R631-E709 PolarHBondContact NH2-OE2 3.48Å
632	F	87.1	Confident	80.1	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.3	-48.3	178.6	-176.1	-90.2	0	0	0	111.6	Y628 K629 M634 F635 D636 G641 I643 V679 L681 F684	Y628-F632 WeakPolarHBondContact O-CB 3.41Å; Y628-F632 PolarHBondContact O-N 3.08Å; K629-F632 WeakPolarHBondContact O-CB 3.3Å; K629-F632 PolarHBondContact O-N 3.5Å; F632-M634 PolarHBondContact O-N 3.13Å; F632-F635 PolarHBondContact O-N 3.02Å; F632-D636 HydrophobicContact CD1-CB 4.34Å; F632-D636 HydrophobicContact CE1-CB 4.04Å; F632-D636 PolarHBondContact O-N 3.49Å; F632-G641 WeakPolarHBondContact CZ-O 3.44Å; F632-I643 HydrophobicContact CD2-CD1 3.36Å; F632-I643 HydrophobicContact CD2-CG1 4.04Å; F632-I643 HydrophobicContact CE1-CG1 4.42Å; F632-I643 HydrophobicContact CE2-CD1 3.45Å; F632-I643 VanDerWaalsContact CE2-CD1 3.45Å; F632-I643 HydrophobicContact CE2-CG1 3.66Å; F632-I643 HydrophobicContact CG-CD1 4Å; F632-I643 HydrophobicContact CZ-CD1 4.14Å; F632-I643 HydrophobicContact CZ-CG1 3.88Å; F632-V679 WeakPolarHBondContact CE2-O 3.33Å; F632-L681 HydrophobicContact CB-CD1 3.67Å; F632-L681 HydrophobicContact CD1-CB 4.11Å; F632-L681 HydrophobicContact CD1-CD1 3.74Å; F632-L681 HydrophobicContact CD1-CG 4.42Å; F632-L681 HydrophobicContact CD2-CB 4.36Å; F632-L681 HydrophobicContact CD2-CD1 3.95Å; F632-L681 HydrophobicContact CE1-CB 3.83Å; F632-L681 HydrophobicContact CE1-CD1 4.34Å; F632-L681 VanDerWaalsContact CE2-CA 3.4Å; F632-L681 HydrophobicContact CE2-CB 4.09Å; F632-L681 HydrophobicContact CG-CB 4.35Å; F632-L681 HydrophobicContact CG-CD1 3.49Å; F632-L681 VanDerWaalsContact CG-CD1 3.49Å; F632-L681 HydrophobicContact CZ-CB 3.79Å; F632-L681 VanDerWaalsContact CZ-N 3.27Å; F632-F684 HydrophobicContact CB-CD1 3.86Å; F632-F684 HydrophobicContact CB-CE1 4.13Å; F632-F684 HydrophobicContact CD2-CB 3.69Å; F632-F684 AromaticContact CD2-CD1 3.85Å; F632-F684 HydrophobicContact CD2-CD1 3.85Å; F632-F684 AromaticContact CD2-CG 3.83Å; F632-F684 HydrophobicContact CD2-CG 3.83Å; F632-F684 HydrophobicContact CE2-CB 4.06Å; F632-F684 HydrophobicContact CG-CD1 4.33Å
633	H	86.5	Confident	80.8	Confident	89 Å²	89	62.4 Å²	62.4	41%	0.412	30%	0.299	S	S	.	.	H	α-helix	trans	-67.7	-14.5	178.4	-67.7	-50.8	0	0	0	114.6	K629 K630 R631 F635 D636	K629-H633 PolarHBondContact O-CD2 3.37Å; K629-H633 PolarHBondContact O-N 2.85Å; K630-H633 PolarHBondContact O-N 2.86Å; R631-H633 PolarHBondContact O-N 3.23Å; H633-F635 VanDerWaalsContact C-N 3.26Å; H633-D636 CarbonylContact O-C 3.57Å
634	M	82.8	Confident	81.3	Confident	47 Å²	47	59.8 Å²	59.8	23%	0.232	28%	0.279	C	S	.	.	H	α-helix	trans	-68.5	-31.2	170.7	-70.4	175.5	63.2	0	0	111.9	K630 R631 F632 E709 L712	K630-M634 WeakPolarHBondContact O-CG 3.27Å; K630-M634 PolarHBondContact O-N 2.93Å; R631-M634 WeakPolarHBondContact O-CB 3.49Å; R631-M634 PolarHBondContact O-N 3.23Å; F632-M634 PolarHBondContact O-N 3.13Å; M634-E709 HydrophobicContact CE-CB 4.26Å; M634-E709 HydrophobicContact CE-CG 4.37Å; M634-E709 HydrophobicContact SD-CB 4.29Å; M634-E709 HydrophobicContact SD-CG 4.04Å; M634-L712 HydrophobicContact CE-CB 3.99Å; M634-L712 HydrophobicContact CE-CD1 3.41Å; M634-L712 VanDerWaalsContact CE-CD1 3.41Å; M634-L712 HydrophobicContact CE-CG 4.33Å
635	F	85	Confident	81.6	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-91.2	-37.2	178.3	-73.7	-99.7	0	0	0	111.4	F632 H633 K637 I643 V648 V651 M705 A708	F632-F635 PolarHBondContact O-N 3.02Å; H633-F635 VanDerWaalsContact C-N 3.26Å; F635-K637 VanDerWaalsContact C-N 3.34Å; F635-K637 PolarHBondContact O-N 3.37Å; F635-K637 VanDerWaalsContact O-N 3.13Å; F635-I643 HydrophobicContact CB-CD1 3.64Å; F635-I643 HydrophobicContact CB-CG1 3.92Å; F635-I643 HydrophobicContact CB-CG2 4.11Å; F635-I643 HydrophobicContact CG-CD1 4.48Å; F635-V648 HydrophobicContact CD1-CB 4.44Å; F635-V648 HydrophobicContact CD1-CG1 4.41Å; F635-V648 HydrophobicContact CD1-CG2 4.27Å; F635-V648 HydrophobicContact CE1-CG1 4.06Å; F635-V651 HydrophobicContact CD1-CB 3.73Å; F635-V651 HydrophobicContact CD1-CG1 3.98Å; F635-V651 HydrophobicContact CD1-CG2 3.79Å; F635-V651 HydrophobicContact CE1-CB 3.57Å; F635-V651 HydrophobicContact CE1-CG1 3.5Å; F635-V651 VanDerWaalsContact CE1-CG1 3.5Å; F635-V651 HydrophobicContact CE1-CG2 4.15Å; F635-V651 HydrophobicContact CE2-CG1 4.16Å; F635-V651 HydrophobicContact CG-CB 4.49Å; F635-V651 HydrophobicContact CG-CG2 4.18Å; F635-V651 HydrophobicContact CZ-CB 4.22Å; F635-V651 HydrophobicContact CZ-CG1 3.61Å; F635-M705 HydrophobicContact CB-CE 4.05Å; F635-M705 HydrophobicContact CD1-CE 4.48Å; F635-M705 HydrophobicContact CD2-CE 3.3Å; F635-M705 HydrophobicContact CD2-CG 4.12Å; F635-M705 HydrophobicContact CE1-CG 4.23Å; F635-M705 HydrophobicContact CE2-CB 3.8Å; F635-M705 HydrophobicContact CE2-CE 3.81Å; F635-M705 HydrophobicContact CE2-CG 3.65Å; F635-M705 HydrophobicContact CG-CE 3.69Å; F635-M705 HydrophobicContact CZ-CB 4.08Å; F635-M705 HydrophobicContact CZ-CG 3.71Å; F635-A708 HydrophobicContact CE2-CB 4.03Å; F635-A708 HydrophobicContact CZ-CB 3.53Å
636	D	86.4	Confident	82	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.011	30%	0.304	C	S	.	.			trans	-86.6	66	171.7	-178.2	27.7	0	0	0	112.5	F632 H633 D638 K639 K640 G641 I643	F632-D636 HydrophobicContact CD1-CB 4.34Å; F632-D636 HydrophobicContact CE1-CB 4.04Å; F632-D636 PolarHBondContact O-N 3.49Å; H633-D636 CarbonylContact O-C 3.57Å; D636-D638 PolarHBondContact O-N 3.08Å; D636-K639 PolarHBondContact O-N 3.37Å; D636-K639 PolarHBondContact OD1-N 2.76Å; D636-K639 VanDerWaalsContact OD1-N 3.16Å; D636-K639 VanDerWaalsContact OD2-C 3.32Å; D636-K639 VanDerWaalsContact OD2-CA 3.3Å; D636-K639 WeakPolarHBondContact OD2-CA 3.43Å; D636-K640 VanDerWaalsContact CG-N 3.27Å; D636-K640 WeakPolarHBondContact OD1-CB 3.49Å; D636-K640 PolarHBondContact OD1-N 3.43Å; D636-K640 PolarHBondContact OD2-N 3.35Å; D636-G641 PolarHBondContact OD2-N 3.38Å; D636-I643 HydrophobicContact CB-CG1 4.31Å
637	K	79.1	Confident	82.4	Confident	144 Å²	144	59 Å²	59	63%	0.626	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.9	178.8	-85.8	-172.8	177.4	175	0	113.4	F635 K639	F635-K637 VanDerWaalsContact C-N 3.34Å; F635-K637 PolarHBondContact O-N 3.37Å; F635-K637 VanDerWaalsContact O-N 3.13Å; K637-K639 VanDerWaalsContact C-N 3.26Å; K637-K639 PolarHBondContact O-N 3.03Å
638	D	78.6	Confident	82.5	Confident	95 Å²	95	53.9 Å²	53.9	51%	0.508	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-1	-176.3	-58.8	-38.7	0	0	0	112.2	D636 K640 R650	D636-D638 PolarHBondContact O-N 3.08Å; D638-K640 VanDerWaalsContact C-N 3.31Å; D638-K640 HydrophobicContact CB-CD 3.96Å; D638-K640 HydrophobicContact CB-CG 3.85Å; D638-K640 PolarHBondContact O-N 3.03Å; D638-K640 IonicContact OD2-NZ 3.53Å; D638-R650 IonicContact OD2-NH1 3.7Å; D638-R650 PolarHBondContact OD2-NH1 2.73Å
639	K	76.3	Confident	82.5	Confident	178 Å²	178	55.8 Å²	55.8	77%	0.774	27%	0.268	S	S	*	.			trans	55.7	41	-179.4	-59.3	-176.3	177.5	-178	0	113.4	D636 K637 G641	D636-K639 PolarHBondContact O-N 3.37Å; D636-K639 PolarHBondContact OD1-N 2.76Å; D636-K639 VanDerWaalsContact OD1-N 3.16Å; D636-K639 VanDerWaalsContact OD2-C 3.32Å; D636-K639 VanDerWaalsContact OD2-CA 3.3Å; D636-K639 WeakPolarHBondContact OD2-CA 3.43Å; K637-K639 VanDerWaalsContact C-N 3.26Å; K637-K639 PolarHBondContact O-N 3.03Å; K639-G641 VanDerWaalsContact C-N 3.33Å
640	K	75.7	Confident	82.5	Confident	73 Å²	73	58.6 Å²	58.6	32%	0.317	28%	0.277	S	S	.	.			trans	-75.7	-21.9	179.8	-61.7	172.8	-62.6	-166.9	0	112.5	D636 D638 F642 D647	D636-K640 VanDerWaalsContact CG-N 3.27Å; D636-K640 WeakPolarHBondContact OD1-CB 3.49Å; D636-K640 PolarHBondContact OD1-N 3.43Å; D636-K640 PolarHBondContact OD2-N 3.35Å; D638-K640 VanDerWaalsContact C-N 3.31Å; D638-K640 HydrophobicContact CB-CD 3.96Å; D638-K640 HydrophobicContact CB-CG 3.85Å; D638-K640 PolarHBondContact O-N 3.03Å; D638-K640 IonicContact OD2-NZ 3.53Å; K640-F642 HydrophobicContact CB-CD1 4.05Å; K640-F642 HydrophobicContact CB-CD2 4.43Å; K640-F642 HydrophobicContact CB-CE1 3.73Å; K640-F642 HydrophobicContact CB-CE2 4.14Å; K640-F642 HydrophobicContact CB-CG 4.4Å; K640-F642 HydrophobicContact CB-CZ 3.79Å; K640-F642 HydrophobicContact CD-CE2 4.2Å; K640-F642 HydrophobicContact CD-CZ 4.22Å; K640-F642 HydrophobicContact CG-CZ 4.44Å; K640-F642 WeakPolarHBondContact O-CD1 3.17Å; K640-F642 WeakPolarHBondContact O-CE1 3.31Å; K640-D647 IonicContact NZ-OD1 3.8Å; K640-D647 PolarHBondContact NZ-OD1 3.07Å; K640-D647 IonicContact NZ-OD2 3.47Å; K640-D647 PolarHBondContact NZ-OD2 2.63Å
641	G	72.5	Confident	82.5	Confident	37 Å²	37	52.1 Å²	52.1	38%	0.381	25%	0.25	S	C	.	.	S	Bend	trans	90.1	1	-175.8	0	0	0	0	0	114.5	F632 D636 K639 L681	F632-G641 WeakPolarHBondContact CZ-O 3.44Å; D636-G641 PolarHBondContact OD2-N 3.38Å; K639-G641 VanDerWaalsContact C-N 3.33Å; G641-L681 PolarHBondContact O-N 2.92Å
642	F	79.4	Confident	82.4	Confident	49 Å²	49	50.9 Å²	50.9	22%	0.215	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	156.5	-179.2	56.9	-96.9	0	0	0	110.8	K640 T644 Q678 V679 E680	K640-F642 HydrophobicContact CB-CD1 4.05Å; K640-F642 HydrophobicContact CB-CD2 4.43Å; K640-F642 HydrophobicContact CB-CE1 3.73Å; K640-F642 HydrophobicContact CB-CE2 4.14Å; K640-F642 HydrophobicContact CB-CG 4.4Å; K640-F642 HydrophobicContact CB-CZ 3.79Å; K640-F642 HydrophobicContact CD-CE2 4.2Å; K640-F642 HydrophobicContact CD-CZ 4.22Å; K640-F642 HydrophobicContact CG-CZ 4.44Å; K640-F642 WeakPolarHBondContact O-CD1 3.17Å; K640-F642 WeakPolarHBondContact O-CE1 3.31Å; F642-T644 HydrophobicContact CD2-CG2 3.88Å; F642-T644 HydrophobicContact CE2-CG2 3.82Å; F642-Q678 HydrophobicContact CB-CB 4.26Å; F642-Q678 HydrophobicContact CD2-CB 4.24Å; F642-Q678 VanDerWaalsContact CD2-CD 3.46Å; F642-Q678 HydrophobicContact CD2-CG 4.16Å; F642-Q678 VanDerWaalsContact CE2-OE1 3.27Å; F642-V679 CarbonylContact C-O 3.56Å; F642-V679 WeakPolarHBondContact CA-O 3.48Å; F642-E680 HydrophobicContact CB-CG 4.32Å
643	I	85.4	Confident	82.2	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.5	178.5	-62.3	167.9	0	0	0	108.9	F632 F635 D636 D647 V648 Q678 V679 M705	F632-I643 HydrophobicContact CD2-CD1 3.36Å; F632-I643 HydrophobicContact CD2-CG1 4.04Å; F632-I643 HydrophobicContact CE1-CG1 4.42Å; F632-I643 HydrophobicContact CE2-CD1 3.45Å; F632-I643 VanDerWaalsContact CE2-CD1 3.45Å; F632-I643 HydrophobicContact CE2-CG1 3.66Å; F632-I643 HydrophobicContact CG-CD1 4Å; F632-I643 HydrophobicContact CZ-CD1 4.14Å; F632-I643 HydrophobicContact CZ-CG1 3.88Å; F635-I643 HydrophobicContact CB-CD1 3.64Å; F635-I643 HydrophobicContact CB-CG1 3.92Å; F635-I643 HydrophobicContact CB-CG2 4.11Å; F635-I643 HydrophobicContact CG-CD1 4.48Å; D636-I643 HydrophobicContact CB-CG1 4.31Å; I643-D647 HydrophobicContact CG2-CB 4.08Å; I643-V648 HydrophobicContact CG2-CG2 3.41Å; I643-V648 VanDerWaalsContact CG2-CG2 3.41Å; I643-Q678 CarbonylContact O-C 3.56Å; I643-Q678 WeakPolarHBondContact O-CA 3.21Å; I643-V679 HydrophobicContact CB-CB 4.48Å; I643-V679 PolarHBondContact N-O 2.49Å; I643-V679 PolarHBondContact O-N 3.24Å; I643-M705 HydrophobicContact CD1-CE 3.48Å; I643-M705 VanDerWaalsContact CD1-CE 3.48Å; I643-M705 HydrophobicContact CD1-SD 4.46Å
644	T	84.8	Confident	81.9	Confident	26 Å²	26	55 Å²	55	16%	0.16	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	168.8	175.6	66.6	0	0	0	0	112.1	F642 L646 D647 V648 Q678	F642-T644 HydrophobicContact CD2-CG2 3.88Å; F642-T644 HydrophobicContact CE2-CG2 3.82Å; T644-L646 PolarHBondContact O-N 3.42Å; T644-D647 WeakPolarHBondContact CB-OD2 3.45Å; T644-D647 PolarHBondContact N-OD2 3.3Å; T644-D647 WeakPolarHBondContact O-CB 3.43Å; T644-D647 PolarHBondContact O-N 2.96Å; T644-D647 PolarHBondContact OG1-N 3.24Å; T644-D647 PolarHBondContact OG1-OD2 3.06Å; T644-V648 PolarHBondContact O-N 2.69Å; T644-V648 VanDerWaalsContact O-N 3.1Å; T644-Q678 HydrophobicContact CG2-CG 4.21Å
645	I	83.7	Confident	81.8	Confident	31 Å²	31	54.2 Å²	54.2	16%	0.159	27%	0.269	C	S	.	.	H	α-helix	trans	-50.2	-47	171.2	-58.5	172.1	0	0	0	110.9	D647 V648 Q649 E661 L664 H665 L668	I645-D647 VanDerWaalsContact C-N 3.3Å; I645-D647 PolarHBondContact O-N 3.35Å; I645-V648 PolarHBondContact O-N 3.19Å; I645-Q649 WeakPolarHBondContact O-CB 3.22Å; I645-Q649 PolarHBondContact O-N 2.93Å; I645-E661 HydrophobicContact CG2-CG 4.43Å; I645-L664 HydrophobicContact CG2-CB 4.34Å; I645-L664 HydrophobicContact CG2-CD2 3.63Å; I645-L664 HydrophobicContact CG2-CG 3.97Å; I645-L664 WeakPolarHBondContact O-CD2 3.46Å; I645-H665 HydrophobicContact CD1-CB 4.15Å; I645-H665 WeakPolarHBondContact CD1-ND1 3.27Å; I645-L668 VanDerWaalsContact CA-CD1 3.46Å; I645-L668 HydrophobicContact CB-CD1 3.98Å; I645-L668 HydrophobicContact CG1-CD1 3.46Å; I645-L668 VanDerWaalsContact CG1-CD1 3.46Å
646	L	82.3	Confident	81.5	Confident	108 Å²	108	59.6 Å²	59.6	57%	0.565	31%	0.307	S	S	*	.	H	α-helix	trans	-63.9	-33.7	-180	-65.4	173	0	0	0	112.8	T644 R650	T644-L646 PolarHBondContact O-N 3.42Å; L646-R650 VanDerWaalsContact O-CB 3.22Å; L646-R650 WeakPolarHBondContact O-CB 3.34Å; L646-R650 PolarHBondContact O-N 3.35Å
647	D	85.2	Confident	81.3	Confident	2 Å²	2	62 Å²	62	1%	0.011	32%	0.319	C	S	.	.	H	α-helix	trans	-70	-42	177.7	-62.1	-47	0	0	0	111.1	K640 I643 T644 I645 V651	K640-D647 IonicContact NZ-OD1 3.8Å; K640-D647 PolarHBondContact NZ-OD1 3.07Å; K640-D647 IonicContact NZ-OD2 3.47Å; K640-D647 PolarHBondContact NZ-OD2 2.63Å; I643-D647 HydrophobicContact CG2-CB 4.08Å; T644-D647 WeakPolarHBondContact CB-OD2 3.45Å; T644-D647 PolarHBondContact N-OD2 3.3Å; T644-D647 WeakPolarHBondContact O-CB 3.43Å; T644-D647 PolarHBondContact O-N 2.96Å; T644-D647 PolarHBondContact OG1-N 3.24Å; T644-D647 PolarHBondContact OG1-OD2 3.06Å; I645-D647 VanDerWaalsContact C-N 3.3Å; I645-D647 PolarHBondContact O-N 3.35Å; D647-V651 WeakPolarHBondContact O-CG2 3.29Å; D647-V651 PolarHBondContact O-N 2.75Å
648	V	84.4	Confident	81.2	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-47.2	175.2	-172.1	0	0	0	0	110.8	F635 I643 T644 I645 R650 V651 L652 L664 L668 L701	F635-V648 HydrophobicContact CD1-CB 4.44Å; F635-V648 HydrophobicContact CD1-CG1 4.41Å; F635-V648 HydrophobicContact CD1-CG2 4.27Å; F635-V648 HydrophobicContact CE1-CG1 4.06Å; I643-V648 HydrophobicContact CG2-CG2 3.41Å; I643-V648 VanDerWaalsContact CG2-CG2 3.41Å; T644-V648 PolarHBondContact O-N 2.69Å; T644-V648 VanDerWaalsContact O-N 3.1Å; I645-V648 PolarHBondContact O-N 3.19Å; V648-R650 PolarHBondContact O-N 2.99Å; V648-V651 PolarHBondContact O-N 2.89Å; V648-L652 HydrophobicContact CG1-CD1 3.86Å; V648-L652 HydrophobicContact CG1-CG 4.18Å; V648-L652 VanDerWaalsContact O-CG 3.31Å; V648-L652 WeakPolarHBondContact O-CG 3.49Å; V648-L652 PolarHBondContact O-N 3.41Å; V648-L664 HydrophobicContact CB-CD1 4.11Å; V648-L664 HydrophobicContact CB-CD2 4.31Å; V648-L664 HydrophobicContact CG1-CD1 3.67Å; V648-L668 HydrophobicContact CG2-CD1 4.2Å; V648-L668 HydrophobicContact CG2-CD2 4.14Å; V648-L701 HydrophobicContact CG2-CD1 4.42Å
649	Q	84.1	Confident	81.3	Confident	53 Å²	53	59.2 Å²	59.2	25%	0.248	31%	0.311	C	S	.	.	H	α-helix	trans	-57.2	-48.3	178.1	-173.1	178.3	-8.9	0	0	111.6	I645 V651 L652 E653 L664	I645-Q649 WeakPolarHBondContact O-CB 3.22Å; I645-Q649 PolarHBondContact O-N 2.93Å; Q649-V651 VanDerWaalsContact C-N 3.28Å; Q649-V651 PolarHBondContact O-N 2.81Å; Q649-L652 PolarHBondContact O-N 3.43Å; Q649-L652 VanDerWaalsContact O-N 3.16Å; Q649-E653 HydrophobicContact CG-CG 4.39Å; Q649-E653 WeakPolarHBondContact CG-OE1 2.93Å; Q649-E653 PolarHBondContact NE2-OE1 2.99Å; Q649-E653 WeakPolarHBondContact O-CB 3.18Å; Q649-E653 WeakPolarHBondContact O-CG 3.31Å; Q649-E653 PolarHBondContact O-N 3.19Å; Q649-L664 HydrophobicContact CB-CD2 3.8Å
650	R	83.9	Confident	81.5	Confident	119 Å²	119	54.8 Å²	54.8	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-57.7	-39.1	178.8	-171.6	-169.6	-56.5	167.5	5	112.7	D638 L646 V648 S654	D638-R650 IonicContact OD2-NH1 3.7Å; D638-R650 PolarHBondContact OD2-NH1 2.73Å; L646-R650 VanDerWaalsContact O-CB 3.22Å; L646-R650 WeakPolarHBondContact O-CB 3.34Å; L646-R650 PolarHBondContact O-N 3.35Å; V648-R650 PolarHBondContact O-N 2.99Å; R650-S654 PolarHBondContact O-N 3.46Å
651	V	83.9	Confident	81.5	Confident	7 Å²	7	57.4 Å²	57.4	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-73.5	-40.8	178.3	174.7	0	0	0	0	111.3	F635 D647 V648 Q649 S654 I655 A708 L712	F635-V651 HydrophobicContact CD1-CB 3.73Å; F635-V651 HydrophobicContact CD1-CG1 3.98Å; F635-V651 HydrophobicContact CD1-CG2 3.79Å; F635-V651 HydrophobicContact CE1-CB 3.57Å; F635-V651 HydrophobicContact CE1-CG1 3.5Å; F635-V651 VanDerWaalsContact CE1-CG1 3.5Å; F635-V651 HydrophobicContact CE1-CG2 4.15Å; F635-V651 HydrophobicContact CE2-CG1 4.16Å; F635-V651 HydrophobicContact CG-CB 4.49Å; F635-V651 HydrophobicContact CG-CG2 4.18Å; F635-V651 HydrophobicContact CZ-CB 4.22Å; F635-V651 HydrophobicContact CZ-CG1 3.61Å; D647-V651 WeakPolarHBondContact O-CG2 3.29Å; D647-V651 PolarHBondContact O-N 2.75Å; V648-V651 PolarHBondContact O-N 2.89Å; Q649-V651 VanDerWaalsContact C-N 3.28Å; Q649-V651 PolarHBondContact O-N 2.81Å; V651-S654 WeakPolarHBondContact O-CB 3.38Å; V651-S654 PolarHBondContact O-N 2.99Å; V651-S654 PolarHBondContact O-OG 2.98Å; V651-I655 PolarHBondContact O-N 2.98Å; V651-A708 HydrophobicContact CG1-CB 4.09Å; V651-L712 HydrophobicContact CG1-CD1 4.04Å
652	L	83.3	Confident	81.6	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-40.6	177.7	-67.3	178.6	0	0	0	112.3	V648 Q649 S654 I655 S656 I657 I659 L664 L704	V648-L652 HydrophobicContact CG1-CD1 3.86Å; V648-L652 HydrophobicContact CG1-CG 4.18Å; V648-L652 VanDerWaalsContact O-CG 3.31Å; V648-L652 WeakPolarHBondContact O-CG 3.49Å; V648-L652 PolarHBondContact O-N 3.41Å; Q649-L652 PolarHBondContact O-N 3.43Å; Q649-L652 VanDerWaalsContact O-N 3.16Å; L652-S654 VanDerWaalsContact C-N 3.26Å; L652-S654 PolarHBondContact O-N 2.84Å; L652-I655 HydrophobicContact CD2-CD1 4.09Å; L652-I655 CarbonylContact O-C 3.51Å; L652-I655 WeakPolarHBondContact O-CG1 3.25Å; L652-I655 PolarHBondContact O-N 2.87Å; L652-I655 VanDerWaalsContact O-N 3.1Å; L652-S656 PolarHBondContact O-N 2.79Å; L652-I657 CarbonylContact C-O 3.49Å; L652-I657 VanDerWaalsContact C-O 3.25Å; L652-I657 HydrophobicContact CB-CB 4.32Å; L652-I657 HydrophobicContact CD2-CB 4.44Å; L652-I657 HydrophobicContact CD2-CG2 4.36Å; L652-I657 PolarHBondContact O-N 3.38Å; L652-I659 HydrophobicContact CD1-CD1 3.72Å; L652-I659 HydrophobicContact CD1-CG1 4.27Å; L652-L664 HydrophobicContact CD1-CD1 4.32Å; L652-L704 HydrophobicContact CD1-CD1 4.49Å; L652-L704 HydrophobicContact CD1-CD2 4.48Å; L652-L704 HydrophobicContact CD2-CD2 4.21Å
653	E	82.3	Confident	81.5	Confident	105 Å²	105	61.4 Å²	61.4	49%	0.491	33%	0.326	S	S	.	.	H	α-helix	trans	-59.1	-39	173	-74.9	174	-175.8	0	0	111.4	Q649 I655 S656	Q649-E653 HydrophobicContact CG-CG 4.39Å; Q649-E653 WeakPolarHBondContact CG-OE1 2.93Å; Q649-E653 PolarHBondContact NE2-OE1 2.99Å; Q649-E653 WeakPolarHBondContact O-CB 3.18Å; Q649-E653 WeakPolarHBondContact O-CG 3.31Å; Q649-E653 PolarHBondContact O-N 3.19Å; E653-I655 PolarHBondContact O-N 2.85Å; E653-I655 VanDerWaalsContact O-N 3.15Å; E653-S656 PolarHBondContact O-N 2.94Å
654	S	79.9	Confident	81.3	Confident	71 Å²	71	61.4 Å²	61.4	50%	0.497	33%	0.326	S	S	.	.	H	α-helix	trans	-66	-16.5	179.2	79.6	0	0	0	0	114.4	R650 V651 L652	R650-S654 PolarHBondContact O-N 3.46Å; V651-S654 WeakPolarHBondContact O-CB 3.38Å; V651-S654 PolarHBondContact O-N 2.99Å; V651-S654 PolarHBondContact O-OG 2.98Å; L652-S654 VanDerWaalsContact C-N 3.26Å; L652-S654 PolarHBondContact O-N 2.84Å
655	I	81.8	Confident	80.9	Confident	29 Å²	29	62.3 Å²	62.3	15%	0.149	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	16.6	175.2	61.3	178.2	0	0	0	112.4	V651 L652 E653 I657 A708 N711 L712	V651-I655 PolarHBondContact O-N 2.98Å; L652-I655 HydrophobicContact CD2-CD1 4.09Å; L652-I655 CarbonylContact O-C 3.51Å; L652-I655 WeakPolarHBondContact O-CG1 3.25Å; L652-I655 PolarHBondContact O-N 2.87Å; L652-I655 VanDerWaalsContact O-N 3.1Å; E653-I655 PolarHBondContact O-N 2.85Å; E653-I655 VanDerWaalsContact O-N 3.15Å; I655-I657 VanDerWaalsContact C-N 3.29Å; I655-I657 HydrophobicContact CD1-CD1 3.67Å; I655-I657 HydrophobicContact CD1-CG1 4.24Å; I655-I657 HydrophobicContact CG1-CB 4.32Å; I655-I657 HydrophobicContact CG1-CD1 4.04Å; I655-I657 HydrophobicContact CG1-CG1 4.03Å; I655-I657 PolarHBondContact O-N 2.95Å; I655-A708 HydrophobicContact CD1-CB 3.71Å; I655-N711 HydrophobicContact CB-CB 4.4Å; I655-N711 HydrophobicContact CG2-CB 4.15Å; I655-L712 HydrophobicContact CG2-CD2 4.02Å; I655-L712 HydrophobicContact CG2-CG 3.82Å
656	S	79.5	Confident	80.5	Confident	118 Å²	118	64.9 Å²	64.9	83%	0.825	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	31.9	179	-52.6	0	0	0	0	114.7	L652 E653	L652-S656 PolarHBondContact O-N 2.79Å; E653-S656 PolarHBondContact O-N 2.94Å
657	I	81.4	Confident	80.3	Confident	52 Å²	52	60.1 Å²	60.1	27%	0.267	32%	0.317	S	S	.	.			trans	-105	120.6	171.1	-62.9	179.6	0	0	0	108	L652 I655 I659 T707	L652-I657 CarbonylContact C-O 3.49Å; L652-I657 VanDerWaalsContact C-O 3.25Å; L652-I657 HydrophobicContact CB-CB 4.32Å; L652-I657 HydrophobicContact CD2-CB 4.44Å; L652-I657 HydrophobicContact CD2-CG2 4.36Å; L652-I657 PolarHBondContact O-N 3.38Å; I655-I657 VanDerWaalsContact C-N 3.29Å; I655-I657 HydrophobicContact CD1-CD1 3.67Å; I655-I657 HydrophobicContact CD1-CG1 4.24Å; I655-I657 HydrophobicContact CG1-CB 4.32Å; I655-I657 HydrophobicContact CG1-CD1 4.04Å; I655-I657 HydrophobicContact CG1-CG1 4.03Å; I655-I657 PolarHBondContact O-N 2.95Å; I657-I659 HydrophobicContact CG2-CD1 4.19Å; I657-I659 HydrophobicContact CG2-CG1 3.99Å; I657-T707 HydrophobicContact CD1-CG2 4.24Å
658	D	76.9	Confident	80.1	Confident	145 Å²	145	60.1 Å²	60.1	78%	0.775	32%	0.317	S	S	*	.			trans	-107.6	127	177.1	-167.2	13	0	0	0	109.8
659	I	81.4	Confident	79.5	Confident	36 Å²	36	63 Å²	63	19%	0.185	33%	0.332	C	S	.	.			trans	-134.7	133.5	179.6	-57.9	-175	0	0	0	106.9	L652 I657 T663 L664 L704	L652-I659 HydrophobicContact CD1-CD1 3.72Å; L652-I659 HydrophobicContact CD1-CG1 4.27Å; I657-I659 HydrophobicContact CG2-CD1 4.19Å; I657-I659 HydrophobicContact CG2-CG1 3.99Å; I659-T663 HydrophobicContact CG2-CG2 3.8Å; I659-L664 HydrophobicContact CG2-CB 4.49Å; I659-L704 HydrophobicContact CD1-CD1 4.08Å; I659-L704 HydrophobicContact CD1-CD2 3.71Å
660	D	80.5	Confident	78.9	Confident	85 Å²	85	64.8 Å²	64.8	46%	0.455	34%	0.341	S	S	.	.			trans	-65.9	149.1	178.8	74.7	95.7	0	0	0	112.1	N662 T663 L664	D660-N662 VanDerWaalsContact C-N 3.28Å; D660-N662 PolarHBondContact O-N 2.89Å; D660-N662 WeakPolarHBondContact OD1-CB 3.45Å; D660-N662 PolarHBondContact OD1-N 3.39Å; D660-T663 VanDerWaalsContact CG-OG1 3.26Å; D660-T663 PolarHBondContact O-N 2.97Å; D660-T663 VanDerWaalsContact O-N 3.17Å; D660-T663 PolarHBondContact OD1-N 2.74Å; D660-T663 PolarHBondContact OD1-OG1 3.33Å; D660-T663 WeakPolarHBondContact OD2-CB 3.49Å; D660-T663 PolarHBondContact OD2-OG1 3.02Å; D660-L664 PolarHBondContact O-N 2.94Å
661	E	74.8	Confident	78.3	Confident	128 Å²	128	59.4 Å²	59.4	60%	0.598	32%	0.321	S	S	*	.	H	α-helix	trans	-59.9	-34.6	-174	-167.5	177.1	-175	0	0	113	I645 L664 H665	I645-E661 HydrophobicContact CG2-CG 4.43Å; E661-L664 PolarHBondContact O-N 2.85Å; E661-H665 VanDerWaalsContact O-CB 3.31Å; E661-H665 WeakPolarHBondContact O-CB 3.48Å; E661-H665 PolarHBondContact O-N 2.59Å
662	N	75.2	Confident	77.8	Confident	123 Å²	123	59.3 Å²	59.3	66%	0.658	32%	0.321	S	S	*	.	H	α-helix	trans	-69.8	-42.9	178.5	-58.4	-59.4	0	0	0	111.1	D660 L664 H665 D666	D660-N662 VanDerWaalsContact C-N 3.28Å; D660-N662 PolarHBondContact O-N 2.89Å; D660-N662 WeakPolarHBondContact OD1-CB 3.45Å; D660-N662 PolarHBondContact OD1-N 3.39Å; N662-L664 VanDerWaalsContact C-N 3.31Å; N662-L664 PolarHBondContact O-N 2.92Å; N662-H665 WeakPolarHBondContact O-CB 3.3Å; N662-H665 PolarHBondContact O-N 3.16Å; N662-D666 PolarHBondContact O-N 3.27Å
663	T	76.8	Confident	76.9	Confident	47 Å²	47	62.3 Å²	62.3	29%	0.288	34%	0.336	S	S	.	.	H	α-helix	trans	-64.1	-38	174.8	-63.8	0	0	0	0	111.5	I659 D660 D666 I667	I659-T663 HydrophobicContact CG2-CG2 3.8Å; D660-T663 VanDerWaalsContact CG-OG1 3.26Å; D660-T663 PolarHBondContact O-N 2.97Å; D660-T663 VanDerWaalsContact O-N 3.17Å; D660-T663 PolarHBondContact OD1-N 2.74Å; D660-T663 PolarHBondContact OD1-OG1 3.33Å; D660-T663 WeakPolarHBondContact OD2-CB 3.49Å; D660-T663 PolarHBondContact OD2-OG1 3.02Å; T663-D666 PolarHBondContact O-N 3.37Å; T663-I667 HydrophobicContact CG2-CD1 4.01Å; T663-I667 WeakPolarHBondContact O-CG1 3.48Å; T663-I667 PolarHBondContact O-N 3.5Å
664	L	80.7	Confident	75.8	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-67.2	-38.8	177.3	-167.6	59.6	0	0	0	111.9	I645 V648 Q649 L652 I659 D660 E661 N662 I667 L668	I645-L664 HydrophobicContact CG2-CB 4.34Å; I645-L664 HydrophobicContact CG2-CD2 3.63Å; I645-L664 HydrophobicContact CG2-CG 3.97Å; I645-L664 WeakPolarHBondContact O-CD2 3.46Å; V648-L664 HydrophobicContact CB-CD1 4.11Å; V648-L664 HydrophobicContact CB-CD2 4.31Å; V648-L664 HydrophobicContact CG1-CD1 3.67Å; Q649-L664 HydrophobicContact CB-CD2 3.8Å; L652-L664 HydrophobicContact CD1-CD1 4.32Å; I659-L664 HydrophobicContact CG2-CB 4.49Å; D660-L664 PolarHBondContact O-N 2.94Å; E661-L664 PolarHBondContact O-N 2.85Å; N662-L664 VanDerWaalsContact C-N 3.31Å; N662-L664 PolarHBondContact O-N 2.92Å; L664-I667 PolarHBondContact O-N 2.99Å; L664-L668 HydrophobicContact CG-CD1 4.36Å; L664-L668 PolarHBondContact O-N 2.91Å
665	H	76.2	Confident	75.1	Confident	44 Å²	44	59.7 Å²	59.7	20%	0.204	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-46	172.2	-174.1	71	0	0	0	111.5	E529 I645 E661 N662 I667 L668 N669	E529-H665 IonicContact OE1-CE1 3.63Å; E529-H665 IonicContact OE1-NE2 3.6Å; I645-H665 HydrophobicContact CD1-CB 4.15Å; I645-H665 WeakPolarHBondContact CD1-ND1 3.27Å; E661-H665 VanDerWaalsContact O-CB 3.31Å; E661-H665 WeakPolarHBondContact O-CB 3.48Å; E661-H665 PolarHBondContact O-N 2.59Å; N662-H665 WeakPolarHBondContact O-CB 3.3Å; N662-H665 PolarHBondContact O-N 3.16Å; H665-I667 VanDerWaalsContact C-N 3.27Å; H665-I667 PolarHBondContact O-N 3.39Å; H665-L668 PolarHBondContact O-N 3.06Å; H665-N669 PolarHBondContact CD2-ND2 3.42Å; H665-N669 PolarHBondContact NE2-ND2 3.07Å; H665-N669 WeakPolarHBondContact O-CB 2.93Å; H665-N669 VanDerWaalsContact O-CG 3.26Å; H665-N669 PolarHBondContact O-N 3.47Å; H665-N669 PolarHBondContact O-ND2 3.42Å
666	D	76.3	Confident	74.2	Confident	85 Å²	85	58.5 Å²	58.5	46%	0.455	31%	0.309	S	S	.	.	H	α-helix	trans	-59.1	-37.2	174.8	-76.7	-13.3	0	0	0	112.6	N662 T663 E670	N662-D666 PolarHBondContact O-N 3.27Å; T663-D666 PolarHBondContact O-N 3.37Å; D666-E670 PolarHBondContact O-N 2.88Å
667	I	78.9	Confident	73.7	Confident	8 Å²	8	53.7 Å²	53.7	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-71.2	-39.2	179.4	-70.5	169.7	0	0	0	111.7	T663 L664 H665 R700 L701 L704	T663-I667 HydrophobicContact CG2-CD1 4.01Å; T663-I667 WeakPolarHBondContact O-CG1 3.48Å; T663-I667 PolarHBondContact O-N 3.5Å; L664-I667 PolarHBondContact O-N 2.99Å; H665-I667 VanDerWaalsContact C-N 3.27Å; H665-I667 PolarHBondContact O-N 3.39Å; I667-R700 HydrophobicContact CB-CB 4.4Å; I667-R700 HydrophobicContact CD1-CB 4.14Å; I667-R700 HydrophobicContact CG1-CB 3.77Å; I667-R700 HydrophobicContact CG1-CG 4.47Å; I667-R700 HydrophobicContact CG2-CB 3.9Å; I667-L701 HydrophobicContact CG2-CB 3.78Å; I667-L701 HydrophobicContact CG2-CD1 4.25Å; I667-L704 HydrophobicContact CD1-CD1 3.8Å; I667-L704 HydrophobicContact CG2-CD1 4.12Å
668	L	79.4	Confident	73.7	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-73	-38.4	177.7	-77	162.4	0	0	0	111.3	I645 V648 L664 H665 E670 V671 D672 V679 L701	I645-L668 VanDerWaalsContact CA-CD1 3.46Å; I645-L668 HydrophobicContact CB-CD1 3.98Å; I645-L668 HydrophobicContact CG1-CD1 3.46Å; I645-L668 VanDerWaalsContact CG1-CD1 3.46Å; V648-L668 HydrophobicContact CG2-CD1 4.2Å; V648-L668 HydrophobicContact CG2-CD2 4.14Å; L664-L668 HydrophobicContact CG-CD1 4.36Å; L664-L668 PolarHBondContact O-N 2.91Å; H665-L668 PolarHBondContact O-N 3.06Å; L668-E670 PolarHBondContact O-N 2.89Å; L668-V671 PolarHBondContact O-N 3.16Å; L668-D672 WeakPolarHBondContact O-CB 3.49Å; L668-D672 PolarHBondContact O-N 3.02Å; L668-V679 HydrophobicContact CD2-CB 4.33Å; L668-V679 HydrophobicContact CD2-CG2 3.46Å; L668-V679 VanDerWaalsContact CD2-CG2 3.46Å; L668-L701 HydrophobicContact CD2-CD1 3.97Å; L668-L701 HydrophobicContact CD2-CD2 4.1Å
669	N	71.6	Confident	74	Confident	59 Å²	59	46.2 Å²	46.2	32%	0.316	24%	0.237	S	C	.	.	H	α-helix	trans	-60.4	-22.6	174	-77.7	-20.6	0	0	0	113.9	H665 V671	H665-N669 PolarHBondContact CD2-ND2 3.42Å; H665-N669 PolarHBondContact NE2-ND2 3.07Å; H665-N669 WeakPolarHBondContact O-CB 2.93Å; H665-N669 VanDerWaalsContact O-CG 3.26Å; H665-N669 PolarHBondContact O-N 3.47Å; H665-N669 PolarHBondContact O-ND2 3.42Å; N669-V671 PolarHBondContact O-N 2.94Å
670	E	72.8	Confident	74.1	Confident	92 Å²	92	45.1 Å²	45.1	43%	0.43	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.4	172.9	-76.1	-178.6	171.1	0	0	113.3	D666 L668 R700	D666-E670 PolarHBondContact O-N 2.88Å; L668-E670 PolarHBondContact O-N 2.89Å; E670-R700 VanDerWaalsContact CD-NE 3.33Å; E670-R700 VanDerWaalsContact CD-NH2 3.3Å; E670-R700 IonicContact OE1-CZ 2.69Å; E670-R700 IonicContact OE1-NE 3.35Å; E670-R700 PolarHBondContact OE1-NE 3.4Å; E670-R700 IonicContact OE1-NH2 3.33Å; E670-R700 PolarHBondContact OE1-NH2 2.94Å; E670-R700 IonicContact OE2-NE 2.81Å; E670-R700 PolarHBondContact OE2-NE 2.92Å
671	V	71.8	Confident	74.1	Confident	5 Å²	5	42.7 Å²	42.7	3%	0.03	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-30.1	-170.4	-177.8	0	0	0	0	111.7	L668 N669 L673 V679 L687 L701	L668-V671 PolarHBondContact O-N 3.16Å; N669-V671 PolarHBondContact O-N 2.94Å; V671-L673 VanDerWaalsContact C-N 3.31Å; V671-L673 PolarHBondContact O-N 3.47Å; V671-V679 HydrophobicContact CB-CG2 4.17Å; V671-V679 HydrophobicContact CG1-CG1 3.88Å; V671-V679 HydrophobicContact CG1-CG2 4.13Å; V671-L687 HydrophobicContact CB-CD2 4.38Å; V671-L687 HydrophobicContact CG1-CB 4.13Å; V671-L687 HydrophobicContact CG1-CD2 3.77Å; V671-L687 HydrophobicContact CG1-CG 4.36Å; V671-L687 HydrophobicContact CG2-CD1 4.07Å; V671-L687 HydrophobicContact CG2-CD2 3.65Å; V671-L687 HydrophobicContact CG2-CG 4.42Å; V671-L701 HydrophobicContact CB-CD2 3.89Å; V671-L701 HydrophobicContact CG1-CD2 3.95Å; V671-L701 HydrophobicContact CG2-CB 3.88Å; V671-L701 HydrophobicContact CG2-CD2 3.72Å; V671-L701 HydrophobicContact CG2-CG 4.46Å
672	D	72.9	Confident	73.9	Confident	6 Å²	6	38.1 Å²	38.1	3%	0.032	20%	0.197	C	C	.	.			trans	-69	87.4	172.1	177.8	7.4	0	0	0	110.1	L668 N674 K675 N676 G677	L668-D672 WeakPolarHBondContact O-CB 3.49Å; L668-D672 PolarHBondContact O-N 3.02Å; D672-N674 VanDerWaalsContact C-N 3.25Å; D672-N674 PolarHBondContact O-N 2.77Å; D672-N674 PolarHBondContact OD1-N 2.88Å; D672-K675 WeakPolarHBondContact OD1-CA 3.26Å; D672-K675 PolarHBondContact OD1-N 3.28Å; D672-K675 VanDerWaalsContact OD2-C 3.31Å; D672-K675 VanDerWaalsContact OD2-CA 3.22Å; D672-K675 WeakPolarHBondContact OD2-CA 3.31Å; D672-N676 PolarHBondContact OD1-N 3.42Å; D672-N676 VanDerWaalsContact OD1-N 3.16Å; D672-N676 PolarHBondContact OD1-OD1 2.91Å; D672-N676 PolarHBondContact OD2-N 3.11Å; D672-N676 PolarHBondContact OD2-OD1 3.19Å; D672-G677 WeakPolarHBondContact OD2-CA 3.25Å; D672-G677 PolarHBondContact OD2-N 3.26Å
673	L	63.6	Low	73.9	Confident	66 Å²	66	32.8 Å²	32.8	35%	0.346	17%	0.169	S	C	.	.	S	Bend	trans	-70	-27.5	-178.5	-64.3	177.7	0	0	0	111.8	V671	V671-L673 VanDerWaalsContact C-N 3.31Å; V671-L673 PolarHBondContact O-N 3.47Å
674	N	59.7	Low	74.2	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.011	16%	0.155	C	C	.	.	S	Bend	trans	-95.7	-3.3	-175	83.9	51.3	0	0	0	112.7	L395 N562 K608 D672 N676 E683	L395-N674 HydrophobicContact CD2-CB 3.68Å; L395-N674 WeakPolarHBondContact CD2-O 3.43Å; N562-N674 PolarHBondContact ND2-O 3.19Å; N562-N674 VanDerWaalsContact ND2-O 3.12Å; K608-N674 PolarHBondContact NZ-ND2 2.97Å; D672-N674 VanDerWaalsContact C-N 3.25Å; D672-N674 PolarHBondContact O-N 2.77Å; D672-N674 PolarHBondContact OD1-N 2.88Å; N674-N676 PolarHBondContact ND2-ND2 3.42Å; N674-N676 VanDerWaalsContact ND2-ND2 3.12Å; N674-N676 WeakPolarHBondContact OD1-CB 3.47Å; N674-N676 PolarHBondContact OD1-N 3.16Å; N674-N676 PolarHBondContact OD1-ND2 2.96Å; N674-N676 PolarHBondContact OD1-OD1 2.86Å; N674-E683 VanDerWaalsContact CG-OE1 3.31Å; N674-E683 PolarHBondContact ND2-OE1 3.42Å
675	K	64.3	Low	74.2	Confident	119 Å²	119	30.6 Å²	30.6	52%	0.517	16%	0.155	S	C	.	.			trans	55.3	47.2	179.2	-60.9	-167.7	174.2	-169.2	0	113	N562 D672	N562-K675 PolarHBondContact ND2-O 2.81Å; N562-K675 VanDerWaalsContact ND2-O 3.11Å; D672-K675 WeakPolarHBondContact OD1-CA 3.26Å; D672-K675 PolarHBondContact OD1-N 3.28Å; D672-K675 VanDerWaalsContact OD2-C 3.31Å; D672-K675 VanDerWaalsContact OD2-CA 3.22Å; D672-K675 WeakPolarHBondContact OD2-CA 3.31Å
676	N	63.6	Low	73.9	Confident	5 Å²	5	30.3 Å²	30.3	3%	0.027	15%	0.154	C	C	.	.	S	Bend	trans	-99	2.6	175.5	61.8	3.7	0	0	0	114.8	Q564 D672 N674 Q678 E680	Q564-N676 HydrophobicContact CB-CB 3.43Å; Q564-N676 VanDerWaalsContact CB-CB 3.43Å; Q564-N676 VanDerWaalsContact CD-ND2 3.27Å; Q564-N676 HydrophobicContact CG-CB 3.84Å; Q564-N676 PolarHBondContact NE2-ND2 2.99Å; Q564-N676 PolarHBondContact OE1-ND2 3.22Å; D672-N676 PolarHBondContact OD1-N 3.42Å; D672-N676 VanDerWaalsContact OD1-N 3.16Å; D672-N676 PolarHBondContact OD1-OD1 2.91Å; D672-N676 PolarHBondContact OD2-N 3.11Å; D672-N676 PolarHBondContact OD2-OD1 3.19Å; N674-N676 PolarHBondContact ND2-ND2 3.42Å; N674-N676 VanDerWaalsContact ND2-ND2 3.12Å; N674-N676 WeakPolarHBondContact OD1-CB 3.47Å; N674-N676 PolarHBondContact OD1-N 3.16Å; N674-N676 PolarHBondContact OD1-ND2 2.96Å; N674-N676 PolarHBondContact OD1-OD1 2.86Å; N676-Q678 PolarHBondContact O-N 3.35Å; N676-Q678 WeakPolarHBondContact OD1-CA 3.21Å; N676-Q678 PolarHBondContact OD1-N 3.47Å; N676-Q678 PolarHBondContact OD1-O 3.16Å; N676-E680 PolarHBondContact ND2-OE1 3.3Å
677	G	70	Confident	74	Confident	17 Å²	17	27.3 Å²	27.3	18%	0.175	14%	0.137	C	C	.	.	S	Bend	trans	74.1	11.5	-175.4	0	0	0	0	0	113.7	D672	D672-G677 WeakPolarHBondContact OD2-CA 3.25Å; D672-G677 PolarHBondContact OD2-N 3.26Å
678	Q	81.3	Confident	74.1	Confident	40 Å²	40	27.4 Å²	27.4	19%	0.187	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.8	-175.5	-50.4	-178.4	0.6	0	0	110.5	F642 I643 T644 N676	F642-Q678 HydrophobicContact CB-CB 4.26Å; F642-Q678 HydrophobicContact CD2-CB 4.24Å; F642-Q678 VanDerWaalsContact CD2-CD 3.46Å; F642-Q678 HydrophobicContact CD2-CG 4.16Å; F642-Q678 VanDerWaalsContact CE2-OE1 3.27Å; I643-Q678 CarbonylContact O-C 3.56Å; I643-Q678 WeakPolarHBondContact O-CA 3.21Å; T644-Q678 HydrophobicContact CG2-CG 4.21Å; N676-Q678 PolarHBondContact O-N 3.35Å; N676-Q678 WeakPolarHBondContact OD1-CA 3.21Å; N676-Q678 PolarHBondContact OD1-N 3.47Å; N676-Q678 PolarHBondContact OD1-O 3.16Å
679	V	83.3	Confident	73.8	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	108.1	171.4	175.3	0	0	0	0	108.7	F632 F642 I643 L668 V671 E683 F684 L701	F632-V679 WeakPolarHBondContact CE2-O 3.33Å; F642-V679 CarbonylContact C-O 3.56Å; F642-V679 WeakPolarHBondContact CA-O 3.48Å; I643-V679 HydrophobicContact CB-CB 4.48Å; I643-V679 PolarHBondContact N-O 2.49Å; I643-V679 PolarHBondContact O-N 3.24Å; L668-V679 HydrophobicContact CD2-CB 4.33Å; L668-V679 HydrophobicContact CD2-CG2 3.46Å; L668-V679 VanDerWaalsContact CD2-CG2 3.46Å; V671-V679 HydrophobicContact CB-CG2 4.17Å; V671-V679 HydrophobicContact CG1-CG1 3.88Å; V671-V679 HydrophobicContact CG1-CG2 4.13Å; V679-E683 HydrophobicContact CG1-CB 4.4Å; V679-F684 HydrophobicContact CG1-CB 4.03Å; V679-L701 HydrophobicContact CG1-CD2 4.24Å; V679-L701 HydrophobicContact CG2-CD2 4.03Å
680	E	82.5	Confident	73.6	Confident	12 Å²	12	26.2 Å²	26.2	6%	0.056	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	156	177.1	-63.9	176.9	-172.5	0	0	110.8	Q564 K608 F642 N676 N682 E683 F684	Q564-E680 PolarHBondContact NE2-OE1 2.97Å; Q564-E680 VanDerWaalsContact NE2-OE1 3.13Å; K608-E680 WeakPolarHBondContact CE-OE1 3.31Å; K608-E680 IonicContact NZ-OE1 3.43Å; K608-E680 PolarHBondContact NZ-OE1 3.2Å; K608-E680 IonicContact NZ-OE2 3.24Å; F642-E680 HydrophobicContact CB-CG 4.32Å; N676-E680 PolarHBondContact ND2-OE1 3.3Å; E680-N682 PolarHBondContact O-N 2.76Å; E680-N682 VanDerWaalsContact O-N 3.17Å; E680-E683 HydrophobicContact CB-CG 4.27Å; E680-E683 PolarHBondContact N-OE2 2.99Å; E680-E683 WeakPolarHBondContact O-CB 3.5Å; E680-E683 PolarHBondContact O-N 3.23Å; E680-F684 PolarHBondContact O-N 2.92Å
681	L	80.7	Confident	73.6	Confident	34 Å²	34	24.4 Å²	24.4	18%	0.178	13%	0.129	C	C	.	.	H	α-helix	trans	-55.6	-38.3	-179	175.1	62.4	0	0	0	112.2	K629 F632 G641 F684 L685	K629-L681 HydrophobicContact CG-CD1 4.03Å; K629-L681 HydrophobicContact CG-CD2 4.11Å; F632-L681 HydrophobicContact CB-CD1 3.67Å; F632-L681 HydrophobicContact CD1-CB 4.11Å; F632-L681 HydrophobicContact CD1-CD1 3.74Å; F632-L681 HydrophobicContact CD1-CG 4.42Å; F632-L681 HydrophobicContact CD2-CB 4.36Å; F632-L681 HydrophobicContact CD2-CD1 3.95Å; F632-L681 HydrophobicContact CE1-CB 3.83Å; F632-L681 HydrophobicContact CE1-CD1 4.34Å; F632-L681 VanDerWaalsContact CE2-CA 3.4Å; F632-L681 HydrophobicContact CE2-CB 4.09Å; F632-L681 HydrophobicContact CG-CB 4.35Å; F632-L681 HydrophobicContact CG-CD1 3.49Å; F632-L681 VanDerWaalsContact CG-CD1 3.49Å; F632-L681 HydrophobicContact CZ-CB 3.79Å; F632-L681 VanDerWaalsContact CZ-N 3.27Å; G641-L681 PolarHBondContact O-N 2.92Å; L681-F684 PolarHBondContact O-N 3.11Å; L681-L685 HydrophobicContact CD1-CD1 3.96Å; L681-L685 HydrophobicContact CD1-CG 3.96Å; L681-L685 HydrophobicContact CD2-CD1 4.47Å; L681-L685 HydrophobicContact CG-CD1 3.86Å; L681-L685 HydrophobicContact CG-CG 4.28Å; L681-L685 WeakPolarHBondContact O-CB 3.25Å; L681-L685 WeakPolarHBondContact O-CG 3.44Å; L681-L685 PolarHBondContact O-N 3.27Å
682	N	70.4	Confident	73.6	Confident	33 Å²	33	28.8 Å²	28.8	18%	0.176	15%	0.149	C	C	.	.	H	α-helix	trans	-68.4	-38.7	179.2	-76.4	-10.2	0	0	0	112.2	L612 E680 F684 L685 Q686	L612-N682 HydrophobicContact CD2-CB 4.48Å; E680-N682 PolarHBondContact O-N 2.76Å; E680-N682 VanDerWaalsContact O-N 3.17Å; N682-F684 VanDerWaalsContact C-N 3.35Å; N682-L685 PolarHBondContact O-N 3.23Å; N682-Q686 VanDerWaalsContact O-CB 3.29Å; N682-Q686 WeakPolarHBondContact O-CB 3.14Å; N682-Q686 WeakPolarHBondContact O-CG 3.35Å; N682-Q686 PolarHBondContact O-N 2.56Å
683	E	75.1	Confident	73.4	Confident	11 Å²	11	33.2 Å²	33.2	5%	0.051	17%	0.168	C	C	.	.	H	α-helix	trans	-65.5	-42.4	175.6	-64.5	174.6	142	0	0	110.5	N674 V679 E680 Q686 L687	N674-E683 VanDerWaalsContact CG-OE1 3.31Å; N674-E683 PolarHBondContact ND2-OE1 3.42Å; V679-E683 HydrophobicContact CG1-CB 4.4Å; E680-E683 HydrophobicContact CB-CG 4.27Å; E680-E683 PolarHBondContact N-OE2 2.99Å; E680-E683 WeakPolarHBondContact O-CB 3.5Å; E680-E683 PolarHBondContact O-N 3.23Å; E683-Q686 PolarHBondContact O-N 3.17Å; E683-L687 WeakPolarHBondContact O-CB 3.48Å; E683-L687 PolarHBondContact O-N 3.09Å
684	F	83.4	Confident	73.1	Confident	1 Å²	1	33.2 Å²	33.2	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-47.3	173.4	-177.8	-109.3	0	0	0	112.2	Y628 R631 F632 V679 E680 L681 N682 Q686 L687 M688 M705	Y628-F684 WeakPolarHBondContact O-CE1 3.43Å; R631-F684 HydrophobicContact CB-CE1 4.21Å; R631-F684 HydrophobicContact CB-CZ 4.2Å; F632-F684 HydrophobicContact CB-CD1 3.86Å; F632-F684 HydrophobicContact CB-CE1 4.13Å; F632-F684 HydrophobicContact CD2-CB 3.69Å; F632-F684 AromaticContact CD2-CD1 3.85Å; F632-F684 HydrophobicContact CD2-CD1 3.85Å; F632-F684 AromaticContact CD2-CG 3.83Å; F632-F684 HydrophobicContact CD2-CG 3.83Å; F632-F684 HydrophobicContact CE2-CB 4.06Å; F632-F684 HydrophobicContact CG-CD1 4.33Å; V679-F684 HydrophobicContact CG1-CB 4.03Å; E680-F684 PolarHBondContact O-N 2.92Å; L681-F684 PolarHBondContact O-N 3.11Å; N682-F684 VanDerWaalsContact C-N 3.35Å; F684-Q686 VanDerWaalsContact C-N 3.3Å; F684-Q686 PolarHBondContact O-N 3.42Å; F684-L687 WeakPolarHBondContact O-CB 3.27Å; F684-L687 PolarHBondContact O-N 3.11Å; F684-M688 HydrophobicContact CD1-CG 4.42Å; F684-M688 HydrophobicContact CE1-CG 4.03Å; F684-M688 HydrophobicContact CE2-CG 4.15Å; F684-M688 HydrophobicContact CE2-SD 4.15Å; F684-M688 HydrophobicContact CZ-CG 3.89Å; F684-M688 HydrophobicContact CZ-SD 4.08Å; F684-M688 VanDerWaalsContact O-CG 3.28Å; F684-M688 WeakPolarHBondContact O-CG 3.36Å; F684-M688 PolarHBondContact O-N 3.43Å; F684-M705 HydrophobicContact CD2-CE 4.35Å; F684-M705 HydrophobicContact CD2-SD 3.77Å; F684-M705 HydrophobicContact CE2-CE 3.89Å; F684-M705 HydrophobicContact CE2-SD 3.22Å; F684-M705 WeakPolarHBondContact CE2-SD 3.45Å; F684-M705 HydrophobicContact CZ-CE 4.02Å; F684-M705 HydrophobicContact CZ-SD 3.86Å
685	L	79.8	Confident	72.9	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.5	-33.8	178.1	-70.6	173.5	0	0	0	112.3	I618 L620 I625 Y628 L681 N682 M688 S689	I618-L685 HydrophobicContact CD1-CB 3.59Å; I618-L685 HydrophobicContact CD1-CD1 3.37Å; I618-L685 HydrophobicContact CD1-CG 4.11Å; I618-L685 HydrophobicContact CG2-CB 4.45Å; L620-L685 HydrophobicContact CD1-CB 4.46Å; L620-L685 HydrophobicContact CD1-CD2 4.25Å; I625-L685 HydrophobicContact CG2-CD1 4.43Å; Y628-L685 HydrophobicContact CD2-CD2 4.11Å; Y628-L685 HydrophobicContact CG-CD2 4.27Å; L681-L685 HydrophobicContact CD1-CD1 3.96Å; L681-L685 HydrophobicContact CD1-CG 3.96Å; L681-L685 HydrophobicContact CD2-CD1 4.47Å; L681-L685 HydrophobicContact CG-CD1 3.86Å; L681-L685 HydrophobicContact CG-CG 4.28Å; L681-L685 WeakPolarHBondContact O-CB 3.25Å; L681-L685 WeakPolarHBondContact O-CG 3.44Å; L681-L685 PolarHBondContact O-N 3.27Å; N682-L685 PolarHBondContact O-N 3.23Å; L685-M688 PolarHBondContact O-N 3.39Å; L685-S689 WeakPolarHBondContact O-CB 3.38Å; L685-S689 PolarHBondContact O-N 3.24Å
686	Q	71.5	Confident	72.7	Confident	39 Å²	39	39.1 Å²	39.1	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-67.3	-44.3	173.9	-76.8	165.3	5.5	0	0	111.8	R390 N682 E683 F684 M688 S689 A690	R390-Q686 VanDerWaalsContact CZ-CD 3.49Å; N682-Q686 VanDerWaalsContact O-CB 3.29Å; N682-Q686 WeakPolarHBondContact O-CB 3.14Å; N682-Q686 WeakPolarHBondContact O-CG 3.35Å; N682-Q686 PolarHBondContact O-N 2.56Å; E683-Q686 PolarHBondContact O-N 3.17Å; F684-Q686 VanDerWaalsContact C-N 3.3Å; F684-Q686 PolarHBondContact O-N 3.42Å; Q686-M688 VanDerWaalsContact C-N 3.29Å; Q686-M688 PolarHBondContact O-N 3.39Å; Q686-S689 PolarHBondContact O-N 3.02Å; Q686-A690 WeakPolarHBondContact O-CB 3.42Å; Q686-A690 PolarHBondContact O-N 2.86Å
687	L	78	Confident	72.3	Confident	21 Å²	21	44.8 Å²	44.8	11%	0.11	25%	0.249	C	C	.	.	H	α-helix	trans	-54.5	-49.1	171.7	177.6	71.2	0	0	0	110.4	V671 E683 F684 S689 A690 I691 A702	V671-L687 HydrophobicContact CB-CD2 4.38Å; V671-L687 HydrophobicContact CG1-CB 4.13Å; V671-L687 HydrophobicContact CG1-CD2 3.77Å; V671-L687 HydrophobicContact CG1-CG 4.36Å; V671-L687 HydrophobicContact CG2-CD1 4.07Å; V671-L687 HydrophobicContact CG2-CD2 3.65Å; V671-L687 HydrophobicContact CG2-CG 4.42Å; E683-L687 WeakPolarHBondContact O-CB 3.48Å; E683-L687 PolarHBondContact O-N 3.09Å; F684-L687 WeakPolarHBondContact O-CB 3.27Å; F684-L687 PolarHBondContact O-N 3.11Å; L687-S689 VanDerWaalsContact C-N 3.35Å; L687-S689 PolarHBondContact O-N 2.93Å; L687-A690 PolarHBondContact O-N 3.39Å; L687-I691 HydrophobicContact CD1-CD1 4.37Å; L687-I691 HydrophobicContact CG-CD1 4.01Å; L687-I691 VanDerWaalsContact O-CG1 3.3Å; L687-I691 WeakPolarHBondContact O-CG1 3.48Å; L687-I691 PolarHBondContact O-N 2.98Å; L687-A702 HydrophobicContact CD2-CB 4.11Å
688	M	80.4	Confident	71.9	Confident	10 Å²	10	46.9 Å²	46.9	5%	0.049	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-36.5	179.8	-64.6	-50.6	-67.2	0	0	112.6	Y628 F684 L685 Q686 I691 Q692 A702	Y628-M688 HydrophobicContact CD1-CB 4.2Å; Y628-M688 HydrophobicContact CD1-CE 3.67Å; Y628-M688 HydrophobicContact CD1-CG 3.93Å; Y628-M688 HydrophobicContact CD2-CB 3.57Å; Y628-M688 HydrophobicContact CD2-CG 4.07Å; Y628-M688 HydrophobicContact CE1-CB 4.16Å; Y628-M688 HydrophobicContact CE1-CE 3.19Å; Y628-M688 HydrophobicContact CE1-CG 4.18Å; Y628-M688 HydrophobicContact CE2-CB 3.51Å; Y628-M688 HydrophobicContact CE2-CG 4.31Å; Y628-M688 HydrophobicContact CG-CB 3.93Å; Y628-M688 HydrophobicContact CG-CG 3.89Å; F684-M688 HydrophobicContact CD1-CG 4.42Å; F684-M688 HydrophobicContact CE1-CG 4.03Å; F684-M688 HydrophobicContact CE2-CG 4.15Å; F684-M688 HydrophobicContact CE2-SD 4.15Å; F684-M688 HydrophobicContact CZ-CG 3.89Å; F684-M688 HydrophobicContact CZ-SD 4.08Å; F684-M688 VanDerWaalsContact O-CG 3.28Å; F684-M688 WeakPolarHBondContact O-CG 3.36Å; F684-M688 PolarHBondContact O-N 3.43Å; L685-M688 PolarHBondContact O-N 3.39Å; Q686-M688 VanDerWaalsContact C-N 3.29Å; Q686-M688 PolarHBondContact O-N 3.39Å; M688-I691 PolarHBondContact O-N 3.1Å; M688-I691 HydrophobicContact SD-CD1 4.09Å; M688-Q692 WeakPolarHBondContact O-CB 3.22Å; M688-Q692 PolarHBondContact O-N 2.92Å; M688-A702 HydrophobicContact SD-CB 3.94Å
689	S	74	Confident	71.7	Confident	12 Å²	12	45.3 Å²	45.3	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-40.3	172.7	-168.9	0	0	0	0	112.1	L685 Q686 L687 Q692 K693	L685-S689 WeakPolarHBondContact O-CB 3.38Å; L685-S689 PolarHBondContact O-N 3.24Å; Q686-S689 PolarHBondContact O-N 3.02Å; L687-S689 VanDerWaalsContact C-N 3.35Å; L687-S689 PolarHBondContact O-N 2.93Å; S689-Q692 PolarHBondContact O-N 2.99Å; S689-K693 WeakPolarHBondContact O-CB 3.39Å; S689-K693 WeakPolarHBondContact O-CG 3.42Å; S689-K693 PolarHBondContact O-N 3.14Å
690	A	67.5	Low	71.6	Confident	25 Å²	25	49.9 Å²	49.9	21%	0.207	28%	0.281	C	S	.	.	H	α-helix	trans	-66.8	-38	177.8	0	0	0	0	0	112.3	Q686 L687 G694 R695 V696	Q686-A690 WeakPolarHBondContact O-CB 3.42Å; Q686-A690 PolarHBondContact O-N 2.86Å; L687-A690 PolarHBondContact O-N 3.39Å; A690-G694 PolarHBondContact O-N 3.35Å; A690-R695 PolarHBondContact O-N 3.34Å; A690-V696 HydrophobicContact CB-CB 4.47Å; A690-V696 HydrophobicContact CB-CG2 3.85Å; A690-V696 PolarHBondContact O-N 3.14Å
691	I	72.6	Confident	71.5	Confident	54 Å²	54	49.3 Å²	49.3	28%	0.277	28%	0.279	S	S	.	.	H	α-helix	trans	-64.6	-46.5	172.6	-67.3	166.6	0	0	0	110.5	L687 M688 K693 G694 V696 A702	L687-I691 HydrophobicContact CD1-CD1 4.37Å; L687-I691 HydrophobicContact CG-CD1 4.01Å; L687-I691 VanDerWaalsContact O-CG1 3.3Å; L687-I691 WeakPolarHBondContact O-CG1 3.48Å; L687-I691 PolarHBondContact O-N 2.98Å; M688-I691 PolarHBondContact O-N 3.1Å; M688-I691 HydrophobicContact SD-CD1 4.09Å; I691-K693 VanDerWaalsContact C-N 3.3Å; I691-K693 PolarHBondContact O-N 2.58Å; I691-G694 PolarHBondContact O-N 2.6Å; I691-V696 HydrophobicContact CG1-CB 4.3Å; I691-V696 HydrophobicContact CG1-CG1 4.39Å; I691-A702 HydrophobicContact CD1-CB 3.36Å
692	Q	71.6	Confident	71.5	Confident	97 Å²	97	48.2 Å²	48.2	45%	0.453	28%	0.275	S	S	.	.	H	α-helix	trans	-64.1	-33.9	-180	-172	172.6	9.4	0	0	112.7	D624 M688 S689 G694	D624-Q692 PolarHBondContact OD2-NE2 2.92Å; M688-Q692 WeakPolarHBondContact O-CB 3.22Å; M688-Q692 PolarHBondContact O-N 2.92Å; S689-Q692 PolarHBondContact O-N 2.99Å; Q692-G694 PolarHBondContact O-N 2.91Å
693	K	68	Low	72	Confident	99 Å²	99	50.6 Å²	50.6	43%	0.43	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	1	175	-70	175.6	-179.2	173.4	0	113.5	S619 S689 I691 R695	S619-K693 PolarHBondContact OG-NZ 2.97Å; S619-K693 VanDerWaalsContact OG-NZ 3.14Å; S689-K693 WeakPolarHBondContact O-CB 3.39Å; S689-K693 WeakPolarHBondContact O-CG 3.42Å; S689-K693 PolarHBondContact O-N 3.14Å; I691-K693 VanDerWaalsContact C-N 3.3Å; I691-K693 PolarHBondContact O-N 2.58Å; K693-R695 HydrophobicContact CB-CG 4.19Å; K693-R695 PolarHBondContact O-N 3.18Å
694	G	58.3	Low	72.3	Confident	67 Å²	67	51.3 Å²	51.3	69%	0.691	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	15.5	-178.7	0	0	0	0	0	114.3	A690 I691 Q692	A690-G694 PolarHBondContact O-N 3.35Å; I691-G694 PolarHBondContact O-N 2.6Å; Q692-G694 PolarHBondContact O-N 2.91Å
695	R	55.7	Low	72.3	Confident	187 Å²	187	51.4 Å²	51.4	71%	0.706	30%	0.295	S	S	*	.	S	Bend	trans	-78.4	-27.2	178.5	-67.1	-177.5	179.9	178.2	-3	112.1	A690 K693	A690-R695 PolarHBondContact O-N 3.34Å; K693-R695 HydrophobicContact CB-CG 4.19Å; K693-R695 PolarHBondContact O-N 3.18Å
696	V	60.3	Low	72.4	Confident	58 Å²	58	56.1 Å²	56.1	35%	0.352	32%	0.315	S	S	.	.	S	Bend	trans	-121.8	123.9	176.5	178.3	0	0	0	0	108.1	A690 I691	A690-V696 HydrophobicContact CB-CB 4.47Å; A690-V696 HydrophobicContact CB-CG2 3.85Å; A690-V696 PolarHBondContact O-N 3.14Å; I691-V696 HydrophobicContact CG1-CB 4.3Å; I691-V696 HydrophobicContact CG1-CG1 4.39Å
697	S	53.4	Low	72.8	Confident	123 Å²	123	56.4 Å²	56.4	86%	0.86	32%	0.32	S	S	*	.	S	Bend	trans	-103.2	114.2	171.9	44.4	0	0	0	0	108.8
698	G	62.9	Low	72.9	Confident	61 Å²	61	55.4 Å²	55.4	63%	0.629	31%	0.314	S	S	*	.			trans	76.2	53.8	168.1	0	0	0	0	0	116.9	R700	G698-R700 PolarHBondContact O-N 3.37Å
699	S	77.2	Confident	72.9	Confident	7 Å²	7	57.1 Å²	57.1	5%	0.049	32%	0.322	C	S	.	.			trans	-61.2	127.2	166.1	168	0	0	0	0	110.9	L701 A702 V703	S699-L701 VanDerWaalsContact C-N 3.34Å; S699-L701 PolarHBondContact O-N 3.28Å; S699-A702 PolarHBondContact O-N 3.46Å; S699-A702 PolarHBondContact OG-N 3.17Å; S699-V703 WeakPolarHBondContact O-CG2 3.34Å; S699-V703 PolarHBondContact O-N 3.24Å; S699-V703 VanDerWaalsContact O-N 3.08Å
700	R	80.9	Confident	73.2	Confident	96 Å²	96	61.7 Å²	61.7	36%	0.362	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-42.3	-179.6	-66	-174	-79.4	166.5	-4	111.5	I667 E670 G698 V703 L704	I667-R700 HydrophobicContact CB-CB 4.4Å; I667-R700 HydrophobicContact CD1-CB 4.14Å; I667-R700 HydrophobicContact CG1-CB 3.77Å; I667-R700 HydrophobicContact CG1-CG 4.47Å; I667-R700 HydrophobicContact CG2-CB 3.9Å; E670-R700 VanDerWaalsContact CD-NE 3.33Å; E670-R700 VanDerWaalsContact CD-NH2 3.3Å; E670-R700 IonicContact OE1-CZ 2.69Å; E670-R700 IonicContact OE1-NE 3.35Å; E670-R700 PolarHBondContact OE1-NE 3.4Å; E670-R700 IonicContact OE1-NH2 3.33Å; E670-R700 PolarHBondContact OE1-NH2 2.94Å; E670-R700 IonicContact OE2-NE 2.81Å; E670-R700 PolarHBondContact OE2-NE 2.92Å; G698-R700 PolarHBondContact O-N 3.37Å; R700-V703 PolarHBondContact O-N 2.96Å; R700-L704 WeakPolarHBondContact O-CG 3.49Å; R700-L704 PolarHBondContact O-N 3.35Å
701	L	80.8	Confident	73.5	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-63.7	-45.7	177.5	-174.5	65.7	0	0	0	112	V648 I667 L668 V671 V679 S699 V703 L704 M705	V648-L701 HydrophobicContact CG2-CD1 4.42Å; I667-L701 HydrophobicContact CG2-CB 3.78Å; I667-L701 HydrophobicContact CG2-CD1 4.25Å; L668-L701 HydrophobicContact CD2-CD1 3.97Å; L668-L701 HydrophobicContact CD2-CD2 4.1Å; V671-L701 HydrophobicContact CB-CD2 3.89Å; V671-L701 HydrophobicContact CG1-CD2 3.95Å; V671-L701 HydrophobicContact CG2-CB 3.88Å; V671-L701 HydrophobicContact CG2-CD2 3.72Å; V671-L701 HydrophobicContact CG2-CG 4.46Å; V679-L701 HydrophobicContact CG1-CD2 4.24Å; V679-L701 HydrophobicContact CG2-CD2 4.03Å; S699-L701 VanDerWaalsContact C-N 3.34Å; S699-L701 PolarHBondContact O-N 3.28Å; L701-V703 VanDerWaalsContact C-N 3.29Å; L701-V703 PolarHBondContact O-N 3.47Å; L701-L704 PolarHBondContact O-N 3Å; L701-M705 HydrophobicContact CD1-CG 4.25Å; L701-M705 HydrophobicContact CD1-SD 4.19Å; L701-M705 HydrophobicContact CD2-SD 4.43Å; L701-M705 HydrophobicContact CG-CG 4.38Å; L701-M705 HydrophobicContact CG-SD 3.99Å; L701-M705 WeakPolarHBondContact O-CG 3.47Å; L701-M705 PolarHBondContact O-N 2.78Å
702	A	78.8	Confident	73.3	Confident	11 Å²	11	64.9 Å²	64.9	9%	0.091	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-35.8	179.6	0	0	0	0	0	112.4	L687 M688 I691 S699 K706	L687-A702 HydrophobicContact CD2-CB 4.11Å; M688-A702 HydrophobicContact SD-CB 3.94Å; I691-A702 HydrophobicContact CD1-CB 3.36Å; S699-A702 PolarHBondContact O-N 3.46Å; S699-A702 PolarHBondContact OG-N 3.17Å; A702-K706 VanDerWaalsContact O-CB 3.29Å; A702-K706 WeakPolarHBondContact O-CB 3.39Å; A702-K706 PolarHBondContact O-N 3.12Å; A702-K706 VanDerWaalsContact O-N 3.12Å
703	V	81.5	Confident	72.6	Confident	83 Å²	83	63.5 Å²	63.5	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-65.5	-49.9	173.3	172.9	0	0	0	0	110.2	S699 R700 L701 M705 K706 T707	S699-V703 WeakPolarHBondContact O-CG2 3.34Å; S699-V703 PolarHBondContact O-N 3.24Å; S699-V703 VanDerWaalsContact O-N 3.08Å; R700-V703 PolarHBondContact O-N 2.96Å; L701-V703 VanDerWaalsContact C-N 3.29Å; L701-V703 PolarHBondContact O-N 3.47Å; V703-M705 PolarHBondContact O-N 3.26Å; V703-K706 PolarHBondContact O-N 2.87Å; V703-T707 WeakPolarHBondContact O-CB 3.34Å; V703-T707 PolarHBondContact O-N 3.08Å; V703-T707 PolarHBondContact O-OG1 2.68Å; V703-T707 VanDerWaalsContact O-OG1 3.05Å
704	L	81.6	Confident	72	Confident	26 Å²	26	65.6 Å²	65.6	14%	0.136	38%	0.379	C	S	.	.	H	α-helix	trans	-57.4	-47.4	178.6	-75.6	173.4	0	0	0	112.5	L652 I659 I667 R700 L701 K706 T707 A708	L652-L704 HydrophobicContact CD1-CD1 4.49Å; L652-L704 HydrophobicContact CD1-CD2 4.48Å; L652-L704 HydrophobicContact CD2-CD2 4.21Å; I659-L704 HydrophobicContact CD1-CD1 4.08Å; I659-L704 HydrophobicContact CD1-CD2 3.71Å; I667-L704 HydrophobicContact CD1-CD1 3.8Å; I667-L704 HydrophobicContact CG2-CD1 4.12Å; R700-L704 WeakPolarHBondContact O-CG 3.49Å; R700-L704 PolarHBondContact O-N 3.35Å; L701-L704 PolarHBondContact O-N 3Å; L704-K706 VanDerWaalsContact C-N 3.31Å; L704-K706 PolarHBondContact O-N 3.45Å; L704-T707 PolarHBondContact O-N 2.93Å; L704-A708 WeakPolarHBondContact O-CB 3.44Å; L704-A708 PolarHBondContact O-N 3.33Å
705	M	82.8	Confident	71.3	Confident	2 Å²	2	73.8 Å²	73.8	1%	0.01	39%	0.389	C	S	.	.	H	α-helix	trans	-66.7	-34.4	-179.3	-66.3	-177.3	83.3	0	0	112.3	F635 I643 F684 L701 V703 E709	F635-M705 HydrophobicContact CB-CE 4.05Å; F635-M705 HydrophobicContact CD1-CE 4.48Å; F635-M705 HydrophobicContact CD2-CE 3.3Å; F635-M705 HydrophobicContact CD2-CG 4.12Å; F635-M705 HydrophobicContact CE1-CG 4.23Å; F635-M705 HydrophobicContact CE2-CB 3.8Å; F635-M705 HydrophobicContact CE2-CE 3.81Å; F635-M705 HydrophobicContact CE2-CG 3.65Å; F635-M705 HydrophobicContact CG-CE 3.69Å; F635-M705 HydrophobicContact CZ-CB 4.08Å; F635-M705 HydrophobicContact CZ-CG 3.71Å; I643-M705 HydrophobicContact CD1-CE 3.48Å; I643-M705 VanDerWaalsContact CD1-CE 3.48Å; I643-M705 HydrophobicContact CD1-SD 4.46Å; F684-M705 HydrophobicContact CD2-CE 4.35Å; F684-M705 HydrophobicContact CD2-SD 3.77Å; F684-M705 HydrophobicContact CE2-CE 3.89Å; F684-M705 HydrophobicContact CE2-SD 3.22Å; F684-M705 WeakPolarHBondContact CE2-SD 3.45Å; F684-M705 HydrophobicContact CZ-CE 4.02Å; F684-M705 HydrophobicContact CZ-SD 3.86Å; L701-M705 HydrophobicContact CD1-CG 4.25Å; L701-M705 HydrophobicContact CD1-SD 4.19Å; L701-M705 HydrophobicContact CD2-SD 4.43Å; L701-M705 HydrophobicContact CG-CG 4.38Å; L701-M705 HydrophobicContact CG-SD 3.99Å; L701-M705 WeakPolarHBondContact O-CG 3.47Å; L701-M705 PolarHBondContact O-N 2.78Å; V703-M705 PolarHBondContact O-N 3.26Å; M705-E709 WeakPolarHBondContact O-CB 3.18Å; M705-E709 PolarHBondContact O-N 2.86Å
706	K	82.3	Confident	70.9	Confident	99 Å²	99	71 Å²	71	43%	0.43	39%	0.393	S	S	.	.	H	α-helix	trans	-67	-45.9	172.9	-174.2	-173.9	176.2	-162.2	0	111.4	A702 V703 L704 A708 E709 E710	A702-K706 VanDerWaalsContact O-CB 3.29Å; A702-K706 WeakPolarHBondContact O-CB 3.39Å; A702-K706 PolarHBondContact O-N 3.12Å; A702-K706 VanDerWaalsContact O-N 3.12Å; V703-K706 PolarHBondContact O-N 2.87Å; L704-K706 VanDerWaalsContact C-N 3.31Å; L704-K706 PolarHBondContact O-N 3.45Å; K706-A708 VanDerWaalsContact C-N 3.31Å; K706-A708 PolarHBondContact O-N 3.41Å; K706-E709 PolarHBondContact O-N 2.91Å; K706-E710 WeakPolarHBondContact CE-OE1 3.31Å; K706-E710 IonicContact NZ-OE1 3.54Å; K706-E710 WeakPolarHBondContact O-CG 3.21Å; K706-E710 PolarHBondContact O-N 3.44Å
707	T	81	Confident	70.1	Confident	45 Å²	45	74.3 Å²	74.3	28%	0.276	41%	0.413	S	S	.	.	H	α-helix	trans	-61.8	-39.7	177	-61.2	0	0	0	0	111.5	I657 V703 L704 E710 N711	I657-T707 HydrophobicContact CD1-CG2 4.24Å; V703-T707 WeakPolarHBondContact O-CB 3.34Å; V703-T707 PolarHBondContact O-N 3.08Å; V703-T707 PolarHBondContact O-OG1 2.68Å; V703-T707 VanDerWaalsContact O-OG1 3.05Å; L704-T707 PolarHBondContact O-N 2.93Å; T707-E710 PolarHBondContact O-N 3.46Å; T707-N711 WeakPolarHBondContact CG2-ND2 3.38Å; T707-N711 PolarHBondContact O-N 2.94Å; T707-N711 VanDerWaalsContact O-N 3.11Å; T707-N711 PolarHBondContact O-ND2 3.23Å
708	A	80.1	Confident	69.8	Low	0 Å²	0	75.1 Å²	75.1	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-65.5	-42.3	175.1	0	0	0	0	0	112.5	F635 V651 I655 L704 K706 E710 N711 L712	F635-A708 HydrophobicContact CE2-CB 4.03Å; F635-A708 HydrophobicContact CZ-CB 3.53Å; V651-A708 HydrophobicContact CG1-CB 4.09Å; I655-A708 HydrophobicContact CD1-CB 3.71Å; L704-A708 WeakPolarHBondContact O-CB 3.44Å; L704-A708 PolarHBondContact O-N 3.33Å; K706-A708 VanDerWaalsContact C-N 3.31Å; K706-A708 PolarHBondContact O-N 3.41Å; A708-E710 VanDerWaalsContact C-N 3.35Å; A708-E710 PolarHBondContact O-N 3.25Å; A708-N711 PolarHBondContact O-N 3.36Å; A708-L712 HydrophobicContact CB-CD1 4.46Å; A708-L712 VanDerWaalsContact O-CB 3.3Å; A708-L712 WeakPolarHBondContact O-CB 3.28Å; A708-L712 WeakPolarHBondContact O-CD1 3.4Å; A708-L712 VanDerWaalsContact O-CG 3.3Å; A708-L712 WeakPolarHBondContact O-CG 3.45Å; A708-L712 PolarHBondContact O-N 2.85Å
709	E	80.6	Confident	68.9	Low	47 Å²	47	77.8 Å²	77.8	22%	0.22	41%	0.412	C	S	.	.	H	α-helix	trans	-59.2	-44.3	175.3	-176.8	-173.6	-143.7	0	0	112.2	R631 M634 M705 K706 G713	R631-E709 IonicContact CZ-OE2 2.99Å; R631-E709 IonicContact NE-OE1 3.19Å; R631-E709 IonicContact NE-OE2 2.69Å; R631-E709 PolarHBondContact NE-OE2 3.47Å; R631-E709 IonicContact NH2-OE2 2.63Å; R631-E709 PolarHBondContact NH2-OE2 3.48Å; M634-E709 HydrophobicContact CE-CB 4.26Å; M634-E709 HydrophobicContact CE-CG 4.37Å; M634-E709 HydrophobicContact SD-CB 4.29Å; M634-E709 HydrophobicContact SD-CG 4.04Å; M705-E709 WeakPolarHBondContact O-CB 3.18Å; M705-E709 PolarHBondContact O-N 2.86Å; K706-E709 PolarHBondContact O-N 2.91Å; E709-G713 PolarHBondContact O-N 3.38Å
710	E	79.6	Confident	67.5	Low	108 Å²	108	83.4 Å²	83.4	51%	0.505	45%	0.446	S	S	.	.	H	α-helix	trans	-65.5	-37.9	179.7	-72.1	171.9	176.8	0	0	112.3	K706 T707 A708	K706-E710 WeakPolarHBondContact CE-OE1 3.31Å; K706-E710 IonicContact NZ-OE1 3.54Å; K706-E710 WeakPolarHBondContact O-CG 3.21Å; K706-E710 PolarHBondContact O-N 3.44Å; T707-E710 PolarHBondContact O-N 3.46Å; A708-E710 VanDerWaalsContact C-N 3.35Å; A708-E710 PolarHBondContact O-N 3.25Å
711	N	74.1	Confident	65.8	Low	66 Å²	66	85 Å²	85	35%	0.353	46%	0.461	S	S	.	.	H	α-helix	trans	-81.8	-34.5	-178.9	-72.9	-58	0	0	0	113.5	I655 T707 A708 G713 Q714	I655-N711 HydrophobicContact CB-CB 4.4Å; I655-N711 HydrophobicContact CG2-CB 4.15Å; T707-N711 WeakPolarHBondContact CG2-ND2 3.38Å; T707-N711 PolarHBondContact O-N 2.94Å; T707-N711 VanDerWaalsContact O-N 3.11Å; T707-N711 PolarHBondContact O-ND2 3.23Å; A708-N711 PolarHBondContact O-N 3.36Å; N711-G713 PolarHBondContact O-N 2.92Å; N711-Q714 PolarHBondContact O-N 3.43Å; N711-Q714 VanDerWaalsContact O-N 3.16Å
712	L	67.8	Low	64	Low	80 Å²	80	97.3 Å²	97.3	42%	0.419	51%	0.508	S	S	.	.	H	α-helix	trans	-67	-21.5	175.7	-77	160.7	0	0	0	112.8	M634 V651 I655 A708	M634-L712 HydrophobicContact CE-CB 3.99Å; M634-L712 HydrophobicContact CE-CD1 3.41Å; M634-L712 VanDerWaalsContact CE-CD1 3.41Å; M634-L712 HydrophobicContact CE-CG 4.33Å; V651-L712 HydrophobicContact CG1-CD1 4.04Å; I655-L712 HydrophobicContact CG2-CD2 4.02Å; I655-L712 HydrophobicContact CG2-CG 3.82Å; A708-L712 HydrophobicContact CB-CD1 4.46Å; A708-L712 VanDerWaalsContact O-CB 3.3Å; A708-L712 WeakPolarHBondContact O-CB 3.28Å; A708-L712 WeakPolarHBondContact O-CD1 3.4Å; A708-L712 VanDerWaalsContact O-CG 3.3Å; A708-L712 WeakPolarHBondContact O-CG 3.45Å; A708-L712 PolarHBondContact O-N 2.85Å
713	G	56	Low	62.3	Low	67 Å²	67	101.7 Å²	101.7	69%	0.691	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.6	173.7	0	0	0	0	0	114.7	E709 N711 R715	E709-G713 PolarHBondContact O-N 3.38Å; N711-G713 PolarHBondContact O-N 2.92Å; G713-R715 PolarHBondContact O-N 2.88Å
714	Q	55.7	Low	60.3	Low	144 Å²	144	101.2 Å²	101.2	67%	0.673	55%	0.55	S	S	*	*			trans	-88.8	92.7	177.2	-72.1	-173.7	-8.2	0	0	109.9	N711 V716	N711-Q714 PolarHBondContact O-N 3.43Å; N711-Q714 VanDerWaalsContact O-N 3.16Å; Q714-V716 PolarHBondContact O-N 3.05Å; Q714-V716 VanDerWaalsContact O-N 3.08Å
715	R	44.3	Very low	58.4	Low	239 Å²	239	104 Å²	104	90%	0.902	59%	0.585	S	S	*	*			trans	-56.8	116.6	163	-88.7	-178	172.9	175.4	-2.2	108.3	G713 V717	G713-R715 PolarHBondContact O-N 2.88Å; R715-V717 PolarHBondContact O-N 3.47Å
716	V	47.5	Very low	56.2	Low	129 Å²	129	107.4 Å²	107.4	78%	0.782	62%	0.621	S	S	*	*			trans	-57.5	109.5	165	179.6	0	0	0	0	107.2	Q714 I718	Q714-V716 PolarHBondContact O-N 3.05Å; Q714-V716 VanDerWaalsContact O-N 3.08Å; V716-I718 PolarHBondContact O-N 3.21Å; V716-I718 VanDerWaalsContact O-N 3.08Å
717	V	43.5	Very low	54	Low	127 Å²	127	114.8 Å²	114.8	77%	0.77	66%	0.663	S	S	*	*			trans	-69.8	103.7	170.7	179	0	0	0	0	106.3	R715 P719	R715-V717 PolarHBondContact O-N 3.47Å; V717-P719 WeakPolarHBondContact O-CD 3.31Å
718	I	47.9	Very low	52.7	Low	140 Å²	140	118.3 Å²	118.3	72%	0.718	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-68.6	118.3	170.9	-57	174.6	0	0	0	106.5	V716 V720	V716-I718 PolarHBondContact O-N 3.21Å; V716-I718 VanDerWaalsContact O-N 3.08Å; I718-V720 PolarHBondContact O-N 3.49Å
719	P	42.5	Very low	51.2	Low	116 Å²	116	124.5 Å²	124.5	75%	0.753	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-67.6	130.1	178.2	-11.9	26.6	0	0	0	109.3	V717	V717-P719 WeakPolarHBondContact O-CD 3.31Å
720	V	49.4	Very low	49.6	Very low	126 Å²	126	128.8 Å²	128.8	76%	0.764	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-78.4	128.8	172.5	-150.2	0	0	0	0	107.9	I718	I718-V720 PolarHBondContact O-N 3.49Å
721	D	44.5	Very low	47.8	Very low	129 Å²	129	130 Å²	130	69%	0.69	76%	0.76	S	S	*	*			trans	81.2	90.5	160.9	-56.5	-33.2	0	0	0	120.4
722	R	42.3	Very low	46.2	Very low	259 Å²	259	134 Å²	134	98%	0.977	79%	0.786	S	S	*	*				-91.2	81.5	119.2	-81.3	-171.9	177.5	175.9	0.4	108.9
723	S	43.6	Very low	44.8	Very low	103 Å²	103	137.6 Å²	137.6	72%	0.72	81%	0.81	S	S	*	*			trans	-102.3	90.1	155.5	173.1	0	0	0	0	106.8
724	G	38.8	Very low	44	Very low	74 Å²	74	142.6 Å²	142.6	76%	0.763	82%	0.819	S	S	*	*			trans	-118.2	98.1	168.2	0	0	0	0	0	106.9
725	G	42.5	Very low	43.1	Very low	85 Å²	85	142.5 Å²	142.5	88%	0.876	83%	0.83	S	S	*	*			trans	-62.3	154.6	178.8	0	0	0	0	0	112.9
726	G	37.4	Very low	43	Very low	73 Å²	73	134.5 Å²	134.5	75%	0.753	82%	0.824	S	S	*	*			trans	-148.1	112.1	159.7	0	0	0	0	0	108.4
727	L	35.8	Very low	42.6	Very low	253 Å²	253	135 Å²	135	100%	1.325	83%	0.828	S	S	*	*				-61.7	0	126.3	-96.3	162.7	0	0	0	108.3

Retrieved 727 of 727 residues in 1814.8 ms (Link to these results)

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