A0A3Q0KHG3_SCHMA Loading...

Putative heat shock protein

AlphaFold DB , UniProt , Accession A0A3Q0KHG3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 718 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52	Low	56.4	Low	235 Å²	235	157.5 Å²	157.5	100%	1.158	85%	0.845	S	S	*	*				0	117.1	0	-47.6	-159.2	-60.2	0	0	105.2
2	P	47.6	Very low	58.8	Low	108 Å²	108	157.6 Å²	157.6	70%	0.701	84%	0.837	S	S	*	*				-112.2	140.7	74.9	9.1	11.3	0	0	0	112.4
3	E	48.3	Very low	60.8	Low	182 Å²	182	160.4 Å²	160.4	85%	0.85	84%	0.842	S	S	*	*				87.2	106.9	95.5	-68	170.3	175.8	0	0	112.8	M5	E3-M5 PolarHBondContact O-N 3.21Å
4	S	51.7	Low	62.7	Low	109 Å²	109	160.4 Å²	160.4	76%	0.762	83%	0.832	S	S	*	*			trans	-77.7	108.5	171.8	50.6	0	0	0	0	109.8	C6	S4-C6 PolarHBondContact O-N 3.14Å
5	M	53.1	Low	64.4	Low	181 Å²	181	155.7 Å²	155.7	89%	0.892	83%	0.827	S	S	*	*			trans	-66.5	102.6	164.6	-76	-174	164.6	0	0	109.1	E3 T7	E3-M5 PolarHBondContact O-N 3.21Å; M5-T7 PolarHBondContact O-N 3.12Å; M5-T7 VanDerWaalsContact O-N 3.08Å
6	C	49.5	Very low	65.8	Low	115 Å²	115	159.4 Å²	159.4	78%	0.777	83%	0.834	S	S	*	*			trans	-65.1	103	160	-68.3	0	0	0	0	107.4	S4 E8	S4-C6 PolarHBondContact O-N 3.14Å; C6-E8 PolarHBondContact O-N 3.08Å; C6-E8 VanDerWaalsContact O-N 3.1Å
7	T	58	Low	66.9	Low	123 Å²	123	161.4 Å²	161.4	76%	0.755	84%	0.838	S	S	*	*			trans	-69.1	102.8	168.9	45.7	0	0	0	0	108.5	M5 Q9	M5-T7 PolarHBondContact O-N 3.12Å; M5-T7 VanDerWaalsContact O-N 3.08Å; T7-Q9 PolarHBondContact O-N 2.99Å; T7-Q9 VanDerWaalsContact O-N 3.12Å
8	E	52.6	Low	67.8	Low	187 Å²	187	156.3 Å²	156.3	87%	0.874	82%	0.824	S	S	*	*			trans	-57.8	114	168.6	-64.9	-177	144.2	0	0	108.6	C6 Q10	C6-E8 PolarHBondContact O-N 3.08Å; C6-E8 VanDerWaalsContact O-N 3.1Å; E8-Q10 PolarHBondContact O-N 3.09Å
9	Q	61.3	Low	68.7	Low	186 Å²	186	154.5 Å²	154.5	87%	0.869	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-71.2	127.3	172.5	-69.1	-179.6	-47	0	0	108	T7	T7-Q9 PolarHBondContact O-N 2.99Å; T7-Q9 VanDerWaalsContact O-N 3.12Å
10	Q	71.1	Confident	69.4	Low	179 Å²	179	151.7 Å²	151.7	84%	0.836	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-64.7	142.6	173.7	-71	-172.7	-32.4	0	0	109.8	E8	E8-Q10 PolarHBondContact O-N 3.09Å
11	P	75.1	Confident	69.9	Low	127 Å²	127	147.1 Å²	147.1	83%	0.825	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-66.7	135.7	177.9	28.2	-34.4	0	0	0	110.7
12	E	85	Confident	71.4	Confident	159 Å²	159	141.4 Å²	141.4	74%	0.743	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-84.4	127.3	171.3	-67.1	-178.5	179.2	0	0	109.8	F14	E12-F14 HydrophobicContact CB-CD2 4.4Å; E12-F14 HydrophobicContact CB-CE2 3.55Å; E12-F14 HydrophobicContact CB-CZ 3.98Å; E12-F14 WeakPolarHBondContact OE2-CZ 3.45Å
13	E	85.2	Confident	73.2	Confident	194 Å²	194	138.9 Å²	138.9	91%	0.907	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-95.9	128.3	179.5	-172.9	177	176.1	0	0	110.6
14	F	88.1	Confident	74.8	Confident	160 Å²	160	130.9 Å²	130.9	70%	0.702	69%	0.693	S	S	*	*			trans	-124.1	132.2	179.2	-63.3	-87	0	0	0	110.4	E12	E12-F14 HydrophobicContact CB-CD2 4.4Å; E12-F14 HydrophobicContact CB-CE2 3.55Å; E12-F14 HydrophobicContact CB-CZ 3.98Å; E12-F14 WeakPolarHBondContact OE2-CZ 3.45Å
15	A	87.5	Confident	76.4	Confident	91 Å²	91	128.5 Å²	128.5	75%	0.752	68%	0.676	S	S	*	*			trans	-70	140.3	171.8	0	0	0	0	0	110.9
16	F	87	Confident	77.9	Confident	214 Å²	214	123.8 Å²	123.8	94%	0.939	65%	0.654	S	S	*	*			trans	-60.1	137.6	173.8	-70.4	-80.3	0	0	0	111.4
17	Q	84.1	Confident	79.5	Confident	193 Å²	193	118.4 Å²	118.4	90%	0.902	62%	0.617	S	S	*	*			trans	-116	153.5	173.6	-61.9	-175.5	0.9	0	0	109.7
18	A	82.8	Confident	80.7	Confident	71 Å²	71	113.3 Å²	113.3	59%	0.587	59%	0.586	S	S	*	*			trans	-134.4	133.9	178.6	0	0	0	0	0	110.5	I20 L23	A18-I20 PolarHBondContact O-N 3.16Å; A18-L23 HydrophobicContact CB-CD2 4.46Å
19	E	84.5	Confident	82	Confident	121 Å²	121	109.8 Å²	109.8	57%	0.565	57%	0.573	S	S	*	*			trans	-79.7	100	176.9	-168.2	177.9	133.6	0	0	109.9	A21 Q22 L23	E19-A21 PolarHBondContact O-N 3.35Å; E19-A21 VanDerWaalsContact O-N 3.16Å; E19-Q22 HydrophobicContact CB-CB 4.4Å; E19-Q22 HydrophobicContact CG-CG 4.33Å; E19-Q22 PolarHBondContact O-N 3.27Å; E19-Q22 VanDerWaalsContact O-N 3.08Å; E19-Q22 WeakPolarHBondContact OE1-CG 3.33Å; E19-Q22 PolarHBondContact OE1-NE2 2.95Å; E19-Q22 PolarHBondContact OE2-NE2 2.72Å; E19-L23 PolarHBondContact O-N 2.84Å
20	I	83.1	Confident	83.1	Confident	99 Å²	99	105.3 Å²	105.3	51%	0.508	56%	0.558	S	S	.	*	H	α-helix	trans	-54.1	-39	-171.4	-63.3	174.3	0	0	0	112.3	A18 L23 M24 I104	A18-I20 PolarHBondContact O-N 3.16Å; I20-L23 PolarHBondContact O-N 2.66Å; I20-M24 HydrophobicContact CG2-CG 4.33Å; I20-M24 WeakPolarHBondContact O-CB 3.3Å; I20-M24 WeakPolarHBondContact O-CG 3.42Å; I20-M24 PolarHBondContact O-N 3.16Å; I20-I104 HydrophobicContact CG2-CD1 4.02Å
21	A	79.5	Confident	83.5	Confident	56 Å²	56	99.2 Å²	99.2	46%	0.463	53%	0.529	S	S	.	.	H	α-helix	trans	-64.3	-44	179.1	0	0	0	0	0	112.8	E19 S25	E19-A21 PolarHBondContact O-N 3.35Å; E19-A21 VanDerWaalsContact O-N 3.16Å; A21-S25 PolarHBondContact O-N 2.96Å; A21-S25 VanDerWaalsContact O-N 3.12Å
22	Q	84.1	Confident	83.9	Confident	115 Å²	115	94 Å²	94	54%	0.537	49%	0.493	S	S	.	.	H	α-helix	trans	-68.5	-40.1	174.7	-70.4	-178.2	35.5	0	0	111.5	E19 S25 L26	E19-Q22 HydrophobicContact CB-CB 4.4Å; E19-Q22 HydrophobicContact CG-CG 4.33Å; E19-Q22 PolarHBondContact O-N 3.27Å; E19-Q22 VanDerWaalsContact O-N 3.08Å; E19-Q22 WeakPolarHBondContact OE1-CG 3.33Å; E19-Q22 PolarHBondContact OE1-NE2 2.95Å; E19-Q22 PolarHBondContact OE2-NE2 2.72Å; Q22-S25 WeakPolarHBondContact O-CB 3.21Å; Q22-S25 PolarHBondContact O-N 3.43Å; Q22-L26 PolarHBondContact O-N 3.42Å
23	L	85.4	Confident	83.6	Confident	55 Å²	55	91.5 Å²	91.5	29%	0.288	49%	0.493	S	S	.	.	H	α-helix	trans	-64.4	-41.3	178.5	-177	56.8	0	0	0	112.4	A18 E19 I20 L26 I27 I104	A18-L23 HydrophobicContact CB-CD2 4.46Å; E19-L23 PolarHBondContact O-N 2.84Å; I20-L23 PolarHBondContact O-N 2.66Å; L23-L26 WeakPolarHBondContact O-CB 3.25Å; L23-L26 PolarHBondContact O-N 3Å; L23-I27 HydrophobicContact CD1-CD1 4.22Å; L23-I27 HydrophobicContact CD1-CG1 4.45Å; L23-I27 HydrophobicContact CG-CD1 4.05Å; L23-I27 VanDerWaalsContact O-CG1 3.32Å; L23-I27 WeakPolarHBondContact O-CG1 3.24Å; L23-I27 PolarHBondContact O-N 2.95Å; L23-I104 HydrophobicContact CB-CD1 4.41Å; L23-I104 HydrophobicContact CD2-CB 4.4Å; L23-I104 HydrophobicContact CD2-CD1 3.96Å; L23-I104 HydrophobicContact CD2-CG2 3.91Å; L23-I104 HydrophobicContact CG-CD1 4.05Å; L23-I104 HydrophobicContact CG-CG2 4.31Å
24	M	83.2	Confident	83.7	Confident	14 Å²	14	84.8 Å²	84.8	7%	0.069	46%	0.463	C	S	.	.	H	α-helix	trans	-59.9	-46.7	171.3	-77.4	-62.8	-65.7	0	0	111.4	I20 L26 I27 I28 I104 Y133 Y136 A160	I20-M24 HydrophobicContact CG2-CG 4.33Å; I20-M24 WeakPolarHBondContact O-CB 3.3Å; I20-M24 WeakPolarHBondContact O-CG 3.42Å; I20-M24 PolarHBondContact O-N 3.16Å; M24-L26 VanDerWaalsContact C-N 3.29Å; M24-L26 PolarHBondContact O-N 3.45Å; M24-I27 PolarHBondContact O-N 3.45Å; M24-I28 HydrophobicContact CE-CD1 4.13Å; M24-I28 WeakPolarHBondContact O-CB 3.29Å; M24-I28 WeakPolarHBondContact O-CD1 3.47Å; M24-I28 VanDerWaalsContact O-CG1 3.28Å; M24-I28 WeakPolarHBondContact O-CG1 3.37Å; M24-I28 PolarHBondContact O-N 3.2Å; M24-I104 HydrophobicContact CG-CD1 3.87Å; M24-I104 HydrophobicContact SD-CD1 3.71Å; M24-I104 HydrophobicContact SD-CG1 4.17Å; M24-Y133 HydrophobicContact CE-CD1 3.69Å; M24-Y133 HydrophobicContact CE-CE1 4.36Å; M24-Y133 HydrophobicContact CE-CG 4.02Å; M24-Y133 HydrophobicContact SD-CD1 3.93Å; M24-Y133 HydrophobicContact SD-CD2 4.39Å; M24-Y133 HydrophobicContact SD-CE1 4.21Å; M24-Y133 HydrophobicContact SD-CG 4.02Å; M24-Y136 HydrophobicContact CE-CD2 4.28Å; M24-Y136 HydrophobicContact CE-CE2 4.4Å; M24-A160 HydrophobicContact CE-CB 3.73Å
25	S	84.2	Confident	83.8	Confident	59 Å²	59	80.8 Å²	80.8	41%	0.413	45%	0.446	S	S	.	.	H	α-helix	trans	-60.6	-37.6	176.5	-172.5	0	0	0	0	112.4	A21 Q22 N29	A21-S25 PolarHBondContact O-N 2.96Å; A21-S25 VanDerWaalsContact O-N 3.12Å; Q22-S25 WeakPolarHBondContact O-CB 3.21Å; Q22-S25 PolarHBondContact O-N 3.43Å; S25-N29 VanDerWaalsContact O-CB 3.23Å; S25-N29 WeakPolarHBondContact O-CB 3.44Å; S25-N29 PolarHBondContact O-N 2.96Å; S25-N29 PolarHBondContact O-ND2 2.68Å; S25-N29 PolarHBondContact OG-ND2 3.37Å; S25-N29 VanDerWaalsContact OG-ND2 3.12Å
26	L	85.8	Confident	84	Confident	82 Å²	82	77.8 Å²	77.8	43%	0.429	42%	0.416	S	S	.	.	H	α-helix	trans	-63.8	-51.1	173.8	-114.8	134.3	0	0	0	111.8	Q22 L23 M24 I28 N29 T30 F31	Q22-L26 PolarHBondContact O-N 3.42Å; L23-L26 WeakPolarHBondContact O-CB 3.25Å; L23-L26 PolarHBondContact O-N 3Å; M24-L26 VanDerWaalsContact C-N 3.29Å; M24-L26 PolarHBondContact O-N 3.45Å; L26-I28 VanDerWaalsContact C-N 3.28Å; L26-I28 PolarHBondContact O-N 3.28Å; L26-N29 PolarHBondContact O-N 3.45Å; L26-T30 WeakPolarHBondContact CD2-OG1 3.33Å; L26-T30 PolarHBondContact O-N 2.87Å; L26-T30 PolarHBondContact O-OG1 3.4Å; L26-F31 HydrophobicContact CD2-CE1 3.9Å; L26-F31 PolarHBondContact O-N 2.92Å
27	I	82.9	Confident	84.1	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-59.8	-39.8	179.7	-68.7	162.5	0	0	0	111.4	L23 M24 F31 Y32 I104 V130	L23-I27 HydrophobicContact CD1-CD1 4.22Å; L23-I27 HydrophobicContact CD1-CG1 4.45Å; L23-I27 HydrophobicContact CG-CD1 4.05Å; L23-I27 VanDerWaalsContact O-CG1 3.32Å; L23-I27 WeakPolarHBondContact O-CG1 3.24Å; L23-I27 PolarHBondContact O-N 2.95Å; M24-I27 PolarHBondContact O-N 3.45Å; I27-F31 HydrophobicContact CB-CD2 4.25Å; I27-F31 HydrophobicContact CB-CE2 4.44Å; I27-F31 HydrophobicContact CG1-CD2 3.9Å; I27-F31 HydrophobicContact CG1-CE2 3.6Å; I27-F31 HydrophobicContact CG1-CZ 4.2Å; I27-F31 HydrophobicContact CG2-CD2 4.37Å; I27-Y32 HydrophobicContact CG2-CE2 4.48Å; I27-Y32 WeakPolarHBondContact O-CD2 3.23Å; I27-I104 HydrophobicContact CD1-CD1 4.42Å; I27-I104 HydrophobicContact CD1-CG2 3.51Å; I27-V130 HydrophobicContact CD1-CG1 4.2Å; I27-V130 HydrophobicContact CG2-CB 4.45Å
28	I	82.4	Confident	84.6	Confident	17 Å²	17	58.5 Å²	58.5	9%	0.087	33%	0.329	C	S	.	.	H	α-helix	trans	-75.3	-49.7	180	-64.3	162.7	0	0	0	111	M24 L26 Y136 L137 A160	M24-I28 HydrophobicContact CE-CD1 4.13Å; M24-I28 WeakPolarHBondContact O-CB 3.29Å; M24-I28 WeakPolarHBondContact O-CD1 3.47Å; M24-I28 VanDerWaalsContact O-CG1 3.28Å; M24-I28 WeakPolarHBondContact O-CG1 3.37Å; M24-I28 PolarHBondContact O-N 3.2Å; L26-I28 VanDerWaalsContact C-N 3.28Å; L26-I28 PolarHBondContact O-N 3.28Å; I28-Y136 HydrophobicContact CD1-CD2 4.46Å; I28-Y136 HydrophobicContact CD1-CG 4.22Å; I28-L137 WeakPolarHBondContact O-CD2 3.5Å; I28-A160 HydrophobicContact CD1-CB 4.04Å
29	N	80.2	Confident	85.2	Confident	113 Å²	113	55.2 Å²	55.2	60%	0.604	30%	0.302	S	S	*	.	H	α-helix	trans	-96.2	-11.1	-165.4	-60.1	-60	0	0	0	115.2	S25 L26	S25-N29 VanDerWaalsContact O-CB 3.23Å; S25-N29 WeakPolarHBondContact O-CB 3.44Å; S25-N29 PolarHBondContact O-N 2.96Å; S25-N29 PolarHBondContact O-ND2 2.68Å; S25-N29 PolarHBondContact OG-ND2 3.37Å; S25-N29 VanDerWaalsContact OG-ND2 3.12Å; L26-N29 PolarHBondContact O-N 3.45Å
30	T	83.2	Confident	85.5	Confident	91 Å²	91	49.7 Å²	49.7	56%	0.558	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.1	-21.3	-174.8	77.3	0	0	0	0	115.7	L26	L26-T30 WeakPolarHBondContact CD2-OG1 3.33Å; L26-T30 PolarHBondContact O-N 2.87Å; L26-T30 PolarHBondContact O-OG1 3.4Å
31	F	80.4	Confident	85.9	Confident	52 Å²	52	45.1 Å²	45.1	23%	0.228	25%	0.252	C	S	.	.	S	Bend	trans	-79.3	-23.8	-176.5	-76.2	11.4	0	0	0	113.9	L26 I27 I385 S386	L26-F31 HydrophobicContact CD2-CE1 3.9Å; L26-F31 PolarHBondContact O-N 2.92Å; I27-F31 HydrophobicContact CB-CD2 4.25Å; I27-F31 HydrophobicContact CB-CE2 4.44Å; I27-F31 HydrophobicContact CG1-CD2 3.9Å; I27-F31 HydrophobicContact CG1-CE2 3.6Å; I27-F31 HydrophobicContact CG1-CZ 4.2Å; I27-F31 HydrophobicContact CG2-CD2 4.37Å; F31-I385 HydrophobicContact CD2-CD1 3.94Å; F31-I385 HydrophobicContact CD2-CG1 4.1Å; F31-I385 HydrophobicContact CD2-CG2 4.23Å; F31-I385 HydrophobicContact CE2-CD1 3.46Å; F31-I385 VanDerWaalsContact CE2-CD1 3.46Å; F31-I385 HydrophobicContact CE2-CG1 4.14Å; F31-I385 HydrophobicContact CG-CG2 4.39Å; F31-I385 HydrophobicContact CZ-CD1 4.18Å; F31-S386 WeakPolarHBondContact O-CB 3.39Å
32	Y	82.2	Confident	86.7	Confident	18 Å²	18	42.8 Å²	42.8	7%	0.071	23%	0.232	C	C	.	.			trans	-120.1	129.5	-174.2	-58	-72.8	0	0	0	111	I27 I37 L137	I27-Y32 HydrophobicContact CG2-CE2 4.48Å; I27-Y32 WeakPolarHBondContact O-CD2 3.23Å; Y32-I37 HydrophobicContact CD1-CD1 3.25Å; Y32-I37 HydrophobicContact CD1-CG1 3.71Å; Y32-I37 HydrophobicContact CD2-CD1 4.05Å; Y32-I37 HydrophobicContact CE1-CD1 3.49Å; Y32-I37 VanDerWaalsContact CE1-CD1 3.49Å; Y32-I37 HydrophobicContact CE1-CG1 4.38Å; Y32-I37 HydrophobicContact CE2-CD1 4.26Å; Y32-I37 HydrophobicContact CG-CD1 3.54Å; Y32-I37 HydrophobicContact CG-CG1 3.95Å; Y32-L137 HydrophobicContact CD2-CD1 4.1Å; Y32-L137 HydrophobicContact CG-CD1 4.27Å
33	S	80.6	Confident	87.2	Confident	106 Å²	106	37.3 Å²	37.3	74%	0.741	21%	0.206	S	C	*	.	S	Bend	trans	-84.4	-29.1	-178.1	65.3	0	0	0	0	113.1	E388	S33-E388 PolarHBondContact N-OE2 3.44Å; S33-E388 VanDerWaalsContact OG-CD 3.23Å; S33-E388 PolarHBondContact OG-OE1 3.14Å; S33-E388 PolarHBondContact OG-OE2 2.81Å
34	N	85.8	Confident	87.4	Confident	53 Å²	53	34.7 Å²	34.7	28%	0.283	19%	0.192	S	C	.	.			trans	-120.7	130.2	178.7	-174.1	-14.5	0	0	0	110.7	E36 I37	N34-E36 WeakPolarHBondContact ND2-CG 3.32Å; N34-E36 PolarHBondContact ND2-OE1 3Å; N34-E36 PolarHBondContact ND2-OE2 3.22Å; N34-E36 PolarHBondContact O-N 3.15Å; N34-E36 WeakPolarHBondContact OD1-CB 3.49Å; N34-E36 PolarHBondContact OD1-N 2.66Å; N34-I37 VanDerWaalsContact O-CG1 3.25Å; N34-I37 WeakPolarHBondContact O-CG1 3.47Å
35	K	91	Very high	87.9	Confident	76 Å²	76	36.4 Å²	36.4	33%	0.33	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.1	177.8	-67.9	-167.1	-175.9	-172.8	0	113.1	I37 F38 L137 I138 D187	K35-I37 PolarHBondContact O-N 2.84Å; K35-F38 WeakPolarHBondContact O-CD1 3.44Å; K35-F38 PolarHBondContact O-N 3.13Å; K35-L137 HydrophobicContact CG-CB 4.46Å; K35-I138 HydrophobicContact CB-CG2 3.98Å; K35-I138 HydrophobicContact CD-CG2 4.13Å; K35-D187 IonicContact NZ-OD2 2.65Å
36	E	91.4	Very high	88.4	Confident	27 Å²	27	33.7 Å²	33.7	13%	0.126	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.1	-173.1	85.2	-168.6	-166.2	0	0	114.3	N34 F38 L39 Y191 I200 K203 H204	N34-E36 WeakPolarHBondContact ND2-CG 3.32Å; N34-E36 PolarHBondContact ND2-OE1 3Å; N34-E36 PolarHBondContact ND2-OE2 3.22Å; N34-E36 PolarHBondContact O-N 3.15Å; N34-E36 WeakPolarHBondContact OD1-CB 3.49Å; N34-E36 PolarHBondContact OD1-N 2.66Å; E36-F38 PolarHBondContact O-N 3.24Å; E36-F38 VanDerWaalsContact O-N 3.14Å; E36-L39 PolarHBondContact O-N 2.94Å; E36-Y191 HydrophobicContact CB-CE1 4.29Å; E36-I200 HydrophobicContact CB-CD1 4.03Å; E36-I200 HydrophobicContact CB-CG1 4.12Å; E36-K203 WeakPolarHBondContact OE1-CD 3.48Å; E36-K203 VanDerWaalsContact OE1-CE 3.32Å; E36-K203 WeakPolarHBondContact OE1-CE 3.49Å; E36-K203 IonicContact OE1-NZ 3.59Å; E36-K203 PolarHBondContact OE1-NZ 3.36Å; E36-H204 IonicContact OE1-CD2 2.69Å; E36-H204 IonicContact OE1-CE1 2.7Å; E36-H204 IonicContact OE1-NE2 3.9Å; E36-H204 PolarHBondContact OE1-NE2 2.84Å
37	I	89.7	Confident	88.8	Confident	2 Å²	2	30 Å²	30	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-16.9	-176.4	66.7	86.8	0	0	0	113.5	Y32 N34 K35 L39 R40 E41 S134 L137	Y32-I37 HydrophobicContact CD1-CD1 3.25Å; Y32-I37 HydrophobicContact CD1-CG1 3.71Å; Y32-I37 HydrophobicContact CD2-CD1 4.05Å; Y32-I37 HydrophobicContact CE1-CD1 3.49Å; Y32-I37 VanDerWaalsContact CE1-CD1 3.49Å; Y32-I37 HydrophobicContact CE1-CG1 4.38Å; Y32-I37 HydrophobicContact CE2-CD1 4.26Å; Y32-I37 HydrophobicContact CG-CD1 3.54Å; Y32-I37 HydrophobicContact CG-CG1 3.95Å; N34-I37 VanDerWaalsContact O-CG1 3.25Å; N34-I37 WeakPolarHBondContact O-CG1 3.47Å; K35-I37 PolarHBondContact O-N 2.84Å; I37-L39 PolarHBondContact O-N 2.72Å; I37-R40 WeakPolarHBondContact O-CA 3.35Å; I37-R40 VanDerWaalsContact O-CB 3.32Å; I37-R40 WeakPolarHBondContact O-CB 3.13Å; I37-R40 PolarHBondContact O-N 3.01Å; I37-E41 HydrophobicContact CD1-CG 4.07Å; I37-E41 PolarHBondContact O-N 3.25Å; I37-S134 VanDerWaalsContact CD1-CB 3.5Å; I37-L137 HydrophobicContact CD1-CD1 3.94Å; I37-L137 HydrophobicContact CG1-CD1 4.16Å
38	F	93.8	Very high	89.2	Confident	1 Å²	1	30 Å²	30	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-54.2	-39.7	179.1	83.4	-78.4	0	0	0	111.4	K35 E36 E41 L42 L83 I138 L182 Y191	K35-F38 WeakPolarHBondContact O-CD1 3.44Å; K35-F38 PolarHBondContact O-N 3.13Å; E36-F38 PolarHBondContact O-N 3.24Å; E36-F38 VanDerWaalsContact O-N 3.14Å; F38-E41 PolarHBondContact O-N 3.4Å; F38-L42 HydrophobicContact CD2-CD1 4.05Å; F38-L42 WeakPolarHBondContact O-CB 3.3Å; F38-L42 VanDerWaalsContact O-CG 3.28Å; F38-L42 WeakPolarHBondContact O-CG 3.21Å; F38-L42 PolarHBondContact O-N 2.99Å; F38-L83 HydrophobicContact CE2-CD2 3.85Å; F38-L83 HydrophobicContact CZ-CD2 3.84Å; F38-I138 HydrophobicContact CB-CG1 4.1Å; F38-I138 HydrophobicContact CD1-CD1 4.39Å; F38-I138 HydrophobicContact CD1-CG1 3.68Å; F38-I138 HydrophobicContact CD1-CG2 4.36Å; F38-I138 HydrophobicContact CD2-CD1 3.55Å; F38-I138 HydrophobicContact CD2-CG1 3.66Å; F38-I138 HydrophobicContact CE1-CD1 4.42Å; F38-I138 HydrophobicContact CE1-CG1 3.99Å; F38-I138 HydrophobicContact CE2-CD1 3.61Å; F38-I138 HydrophobicContact CE2-CG1 3.98Å; F38-I138 HydrophobicContact CG-CD1 3.96Å; F38-I138 HydrophobicContact CG-CG1 3.49Å; F38-I138 VanDerWaalsContact CG-CG1 3.49Å; F38-I138 HydrophobicContact CZ-CD1 4.05Å; F38-I138 HydrophobicContact CZ-CG1 4.13Å; F38-L182 HydrophobicContact CD2-CD1 3.84Å; F38-L182 HydrophobicContact CE2-CD1 3.6Å; F38-Y191 AromaticContact CE1-CD1 3.53Å; F38-Y191 HydrophobicContact CE1-CD1 3.53Å; F38-Y191 AromaticContact CE1-CE1 3.87Å; F38-Y191 HydrophobicContact CE1-CE1 3.87Å; F38-Y191 AromaticContact CE1-CG 3.96Å; F38-Y191 HydrophobicContact CE1-CG 3.96Å; F38-Y191 HydrophobicContact CZ-CD1 4.05Å; F38-Y191 HydrophobicContact CZ-CG 4.2Å
39	L	94.8	Very high	89.7	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-74.3	-33.4	-179.4	-171.1	58.8	0	0	0	111.3	E36 I37 I43 L74 V85 I197 I200 V201	E36-L39 PolarHBondContact O-N 2.94Å; I37-L39 PolarHBondContact O-N 2.72Å; L39-I43 HydrophobicContact CD1-CD1 3.89Å; L39-I43 HydrophobicContact CD1-CG1 4.14Å; L39-I43 HydrophobicContact CG-CD1 3.78Å; L39-I43 HydrophobicContact CG-CG1 4.4Å; L39-I43 VanDerWaalsContact O-CB 3.28Å; L39-I43 WeakPolarHBondContact O-CB 3.44Å; L39-I43 WeakPolarHBondContact O-CG1 3.29Å; L39-I43 PolarHBondContact O-N 2.91Å; L39-L74 HydrophobicContact CD1-CD1 4.38Å; L39-L74 HydrophobicContact CD1-CD2 3.94Å; L39-L74 HydrophobicContact CD2-CD1 4.46Å; L39-V85 HydrophobicContact CD1-CG2 4.11Å; L39-I197 HydrophobicContact CD2-CG2 4.16Å; L39-I200 HydrophobicContact CB-CG2 4.03Å; L39-I200 HydrophobicContact CD2-CB 4.3Å; L39-I200 HydrophobicContact CD2-CG2 3.91Å; L39-I200 HydrophobicContact CG-CG2 4.38Å; L39-V201 HydrophobicContact CD2-CG2 3.93Å
40	R	92	Very high	90.4	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.015	14%	0.136	C	C	.	.	H	α-helix	trans	-60.7	-50	170.9	180	-168.1	74.3	-162.3	-5	110.8	I37 S44 H204 V355 S386 R387	I37-R40 WeakPolarHBondContact O-CA 3.35Å; I37-R40 VanDerWaalsContact O-CB 3.32Å; I37-R40 WeakPolarHBondContact O-CB 3.13Å; I37-R40 PolarHBondContact O-N 3.01Å; R40-S44 VanDerWaalsContact O-CB 3.31Å; R40-S44 WeakPolarHBondContact O-CB 3.07Å; R40-S44 PolarHBondContact O-N 3.32Å; R40-S44 PolarHBondContact O-OG 3.39Å; R40-H204 HydrophobicContact CB-CB 3.91Å; R40-H204 HydrophobicContact CG-CB 3.95Å; R40-V355 HydrophobicContact CG-CG1 3.92Å; R40-S386 PolarHBondContact NH2-O 3.47Å; R40-R387 PolarHBondContact NH1-O 2.99Å
41	E	92	Very high	90.7	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.014	11%	0.114	C	C	.	.	H	α-helix	trans	-66.1	-43.2	-179.4	-63.5	-52.3	122.9	0	0	111.7	I37 F38 S44 N45 G131 R387	I37-E41 HydrophobicContact CD1-CG 4.07Å; I37-E41 PolarHBondContact O-N 3.25Å; F38-E41 PolarHBondContact O-N 3.4Å; E41-S44 PolarHBondContact O-N 3.48Å; E41-N45 WeakPolarHBondContact O-CB 3.37Å; E41-N45 PolarHBondContact O-N 3Å; E41-N45 PolarHBondContact O-ND2 2.67Å; E41-G131 WeakPolarHBondContact CB-O 3.36Å; E41-R387 IonicContact OE2-NH1 3.75Å
42	L	95	Very high	91.2	Very high	8 Å²	8	19.5 Å²	19.5	4%	0.042	11%	0.108	C	C	.	.	H	α-helix	trans	-64.5	-43.5	177.6	-69.2	173	0	0	0	112.6	F38 S44 N45 A46 V85 F132 V180 L182	F38-L42 HydrophobicContact CD2-CD1 4.05Å; F38-L42 WeakPolarHBondContact O-CB 3.3Å; F38-L42 VanDerWaalsContact O-CG 3.28Å; F38-L42 WeakPolarHBondContact O-CG 3.21Å; F38-L42 PolarHBondContact O-N 2.99Å; L42-S44 VanDerWaalsContact C-N 3.32Å; L42-S44 PolarHBondContact O-N 2.88Å; L42-N45 PolarHBondContact O-N 3.35Å; L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 2.88Å; L42-V85 HydrophobicContact CB-CG1 4.45Å; L42-V85 HydrophobicContact CB-CG2 4.34Å; L42-V85 HydrophobicContact CD1-CG2 4.11Å; L42-F132 HydrophobicContact CD2-CD2 4.21Å; L42-V180 HydrophobicContact CD2-CG1 4.12Å; L42-V180 HydrophobicContact CD2-CG2 4.5Å; L42-L182 HydrophobicContact CD1-CD1 3.68Å; L42-L182 HydrophobicContact CD1-CD2 4.09Å; L42-L182 HydrophobicContact CD1-CG 4.38Å
43	I	94.6	Very high	91.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66	-35.3	175	-69	172.7	0	0	0	111.3	L39 A46 S47 I72 L74 V201 I208 I212	L39-I43 HydrophobicContact CD1-CD1 3.89Å; L39-I43 HydrophobicContact CD1-CG1 4.14Å; L39-I43 HydrophobicContact CG-CD1 3.78Å; L39-I43 HydrophobicContact CG-CG1 4.4Å; L39-I43 VanDerWaalsContact O-CB 3.28Å; L39-I43 WeakPolarHBondContact O-CB 3.44Å; L39-I43 WeakPolarHBondContact O-CG1 3.29Å; L39-I43 PolarHBondContact O-N 2.91Å; I43-A46 PolarHBondContact O-N 3.27Å; I43-S47 PolarHBondContact O-N 2.72Å; I43-I72 HydrophobicContact CG2-CD1 3.94Å; I43-L74 HydrophobicContact CD1-CD1 4.31Å; I43-L74 HydrophobicContact CD1-CD2 4.46Å; I43-L74 HydrophobicContact CG1-CD2 4.49Å; I43-V201 HydrophobicContact CD1-CG2 3.91Å; I43-I208 HydrophobicContact CG2-CG1 4.02Å; I43-I212 HydrophobicContact CD1-CD1 4.41Å; I43-I212 HydrophobicContact CD1-CG2 4.44Å; I43-I212 HydrophobicContact CG2-CD1 3.74Å; I43-I212 HydrophobicContact CG2-CG1 4.34Å
44	S	91.2	Very high	92.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.7	-44.3	175.4	-58.7	0	0	0	0	111.9	R40 E41 L42 A46 S47 D48	R40-S44 VanDerWaalsContact O-CB 3.31Å; R40-S44 WeakPolarHBondContact O-CB 3.07Å; R40-S44 PolarHBondContact O-N 3.32Å; R40-S44 PolarHBondContact O-OG 3.39Å; E41-S44 PolarHBondContact O-N 3.48Å; L42-S44 VanDerWaalsContact C-N 3.32Å; L42-S44 PolarHBondContact O-N 2.88Å; S44-A46 VanDerWaalsContact C-N 3.32Å; S44-A46 PolarHBondContact O-N 3.15Å; S44-S47 PolarHBondContact O-N 3.47Å; S44-D48 PolarHBondContact O-N 3.16Å
45	N	93	Very high	92.3	Very high	49 Å²	49	19.9 Å²	19.9	26%	0.262	9%	0.089	S	C	.	.	H	α-helix	trans	-63.8	-37.4	176	-66.4	-33.5	0	0	0	111.9	E41 L42 D48 A49	E41-N45 WeakPolarHBondContact O-CB 3.37Å; E41-N45 PolarHBondContact O-N 3Å; E41-N45 PolarHBondContact O-ND2 2.67Å; L42-N45 PolarHBondContact O-N 3.35Å; N45-D48 WeakPolarHBondContact O-CB 3.47Å; N45-D48 PolarHBondContact O-N 2.85Å; N45-A49 PolarHBondContact O-N 3.08Å
46	A	94.8	Very high	92.2	Very high	3 Å²	3	19.2 Å²	19.2	3%	0.025	9%	0.086	C	C	.	.	H	α-helix	trans	-66.4	-39.9	173.2	0	0	0	0	0	112.3	L42 I43 S44 A49 L50 I72 D87	L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 2.88Å; I43-A46 PolarHBondContact O-N 3.27Å; S44-A46 VanDerWaalsContact C-N 3.32Å; S44-A46 PolarHBondContact O-N 3.15Å; A46-A49 PolarHBondContact O-N 2.75Å; A46-L50 WeakPolarHBondContact O-CD1 3.38Å; A46-L50 WeakPolarHBondContact O-CG 3.27Å; A46-L50 PolarHBondContact O-N 2.99Å; A46-I72 HydrophobicContact CB-CD1 3.71Å; A46-I72 HydrophobicContact CB-CG1 3.93Å; A46-I72 HydrophobicContact CB-CG2 4.28Å; A46-D87 HydrophobicContact CB-CB 3.7Å
47	S	92.8	Very high	92.2	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-61.8	-46.2	172.6	-165	0	0	0	0	111.4	I43 S44 A49 L50 D51	I43-S47 PolarHBondContact O-N 2.72Å; S44-S47 PolarHBondContact O-N 3.47Å; S47-A49 VanDerWaalsContact C-N 3.26Å; S47-A49 PolarHBondContact O-N 3.18Å; S47-L50 PolarHBondContact O-N 3.4Å; S47-L50 VanDerWaalsContact O-N 3.1Å; S47-D51 PolarHBondContact O-N 2.67Å; S47-D51 PolarHBondContact OG-OD2 3.02Å
48	D	91.3	Very high	92.2	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-56	-39.5	174	-84	2.9	0	0	0	112.1	S44 N45 K52 T109 M124 I125 G126	S44-D48 PolarHBondContact O-N 3.16Å; N45-D48 WeakPolarHBondContact O-CB 3.47Å; N45-D48 PolarHBondContact O-N 2.85Å; D48-K52 WeakPolarHBondContact O-CB 3.47Å; D48-K52 WeakPolarHBondContact O-CD 3.41Å; D48-K52 WeakPolarHBondContact O-CG 3.23Å; D48-K52 PolarHBondContact O-N 2.66Å; D48-T109 WeakPolarHBondContact OD2-CB 3.27Å; D48-T109 WeakPolarHBondContact OD2-CG2 3.14Å; D48-T109 PolarHBondContact OD2-OG1 3.27Å; D48-M124 WeakPolarHBondContact OD1-CB 3.43Å; D48-I125 PolarHBondContact OD1-N 3.42Å; D48-G126 WeakPolarHBondContact OD2-CA 3.43Å; D48-G126 PolarHBondContact OD2-N 3.14Å
49	A	93.8	Very high	91.9	Very high	13 Å²	13	30 Å²	30	11%	0.107	15%	0.15	C	C	.	.	H	α-helix	trans	-68.8	-33.2	178.4	0	0	0	0	0	112.8	N45 A46 S47 L53 G89 I90	N45-A49 PolarHBondContact O-N 3.08Å; A46-A49 PolarHBondContact O-N 2.75Å; S47-A49 VanDerWaalsContact C-N 3.26Å; S47-A49 PolarHBondContact O-N 3.18Å; A49-L53 PolarHBondContact O-N 3.01Å; A49-G89 WeakPolarHBondContact O-CA 3.5Å; A49-I90 HydrophobicContact CB-CG2 4.43Å; A49-I90 PolarHBondContact O-N 3Å
50	L	94	Very high	91.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-75.3	-40.8	174.8	-67.9	160.2	0	0	0	111.5	A46 S47 K52 L53 R54 M70 I72 Y210	A46-L50 WeakPolarHBondContact O-CD1 3.38Å; A46-L50 WeakPolarHBondContact O-CG 3.27Å; A46-L50 PolarHBondContact O-N 2.99Å; S47-L50 PolarHBondContact O-N 3.4Å; S47-L50 VanDerWaalsContact O-N 3.1Å; L50-K52 PolarHBondContact O-N 3.29Å; L50-L53 WeakPolarHBondContact O-CB 3.28Å; L50-L53 PolarHBondContact O-N 3.15Å; L50-R54 WeakPolarHBondContact O-CB 3.01Å; L50-R54 PolarHBondContact O-N 3.05Å; L50-M70 HydrophobicContact CD2-CB 3.86Å; L50-M70 HydrophobicContact CD2-CG 4.24Å; L50-I72 HydrophobicContact CD1-CD1 4.16Å; L50-I72 HydrophobicContact CD1-CG1 3.61Å; L50-Y210 HydrophobicContact CB-CD1 4.1Å; L50-Y210 HydrophobicContact CB-CD2 3.75Å; L50-Y210 HydrophobicContact CB-CE1 4Å; L50-Y210 HydrophobicContact CB-CE2 3.66Å; L50-Y210 HydrophobicContact CB-CG 4Å; L50-Y210 HydrophobicContact CD1-CD1 4.27Å; L50-Y210 HydrophobicContact CD1-CD2 3.9Å; L50-Y210 HydrophobicContact CD1-CG 3.7Å; L50-Y210 HydrophobicContact CG-CD2 4.46Å; L50-Y210 HydrophobicContact CG-CG 4.4Å
51	D	90.8	Very high	91.6	Very high	17 Å²	17	37.6 Å²	37.6	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-37.2	175.6	-75	-50.6	0	0	0	112.2	S47 R54 Y55 M124 Y210	S47-D51 PolarHBondContact O-N 2.67Å; S47-D51 PolarHBondContact OG-OD2 3.02Å; D51-R54 PolarHBondContact O-N 3.24Å; D51-Y55 PolarHBondContact O-N 3.43Å; D51-M124 HydrophobicContact CB-CG 4.44Å; D51-Y210 WeakPolarHBondContact OD1-CE2 3.25Å; D51-Y210 PolarHBondContact OD1-OH 3.16Å
52	K	91	Very high	91.6	Very high	24 Å²	24	40.3 Å²	40.3	10%	0.104	22%	0.215	C	C	.	.	H	α-helix	trans	-64.8	-41.8	172.7	-70.9	168.6	-161.5	176.6	0	113.1	D48 L50 Y55 K56 I90 G108 T109 F112 M124	D48-K52 WeakPolarHBondContact O-CB 3.47Å; D48-K52 WeakPolarHBondContact O-CD 3.41Å; D48-K52 WeakPolarHBondContact O-CG 3.23Å; D48-K52 PolarHBondContact O-N 2.66Å; L50-K52 PolarHBondContact O-N 3.29Å; K52-Y55 PolarHBondContact O-N 3.46Å; K52-K56 PolarHBondContact O-N 2.91Å; K52-I90 HydrophobicContact CB-CD1 4.39Å; K52-I90 HydrophobicContact CB-CG2 4.1Å; K52-I90 HydrophobicContact CD-CG2 4.49Å; K52-G108 VanDerWaalsContact NZ-C 3.33Å; K52-G108 PolarHBondContact NZ-O 3Å; K52-T109 WeakPolarHBondContact CE-OG1 3.39Å; K52-T109 VanDerWaalsContact NZ-CA 3.33Å; K52-T109 PolarHBondContact NZ-OG1 2.9Å; K52-F112 HydrophobicContact CB-CD2 4.35Å; K52-F112 HydrophobicContact CB-CE1 4.44Å; K52-F112 HydrophobicContact CB-CE2 3.84Å; K52-F112 HydrophobicContact CB-CZ 3.86Å; K52-F112 HydrophobicContact CD-CB 4.49Å; K52-F112 HydrophobicContact CD-CD2 4.05Å; K52-F112 HydrophobicContact CD-CE2 4.37Å; K52-F112 HydrophobicContact CD-CG 4.21Å; K52-F112 HydrophobicContact CG-CD1 3.99Å; K52-F112 HydrophobicContact CG-CD2 3.79Å; K52-F112 HydrophobicContact CG-CE1 3.92Å; K52-F112 HydrophobicContact CG-CE2 3.73Å; K52-F112 HydrophobicContact CG-CG 3.9Å; K52-F112 HydrophobicContact CG-CZ 3.77Å; K52-M124 HydrophobicContact CD-SD 4.36Å; K52-M124 VanDerWaalsContact CE-SD 3.55Å; K52-M124 HydrophobicContact CG-SD 3.79Å
53	L	92.7	Very high	91.5	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-48.7	173.7	172.8	70.1	0	0	0	110.6	A49 L50 Y55 K56 S57 V63 L64 M70 T88 I90 R176	A49-L53 PolarHBondContact O-N 3.01Å; L50-L53 WeakPolarHBondContact O-CB 3.28Å; L50-L53 PolarHBondContact O-N 3.15Å; L53-Y55 VanDerWaalsContact C-N 3.3Å; L53-Y55 PolarHBondContact O-N 2.82Å; L53-K56 PolarHBondContact O-N 3.11Å; L53-S57 PolarHBondContact O-N 3.02Å; L53-V63 HydrophobicContact CD1-CB 4.44Å; L53-V63 HydrophobicContact CD1-CG2 3.99Å; L53-L64 HydrophobicContact CD1-CD2 4.15Å; L53-L64 HydrophobicContact CD2-CD2 4.28Å; L53-L64 HydrophobicContact CG-CD2 4.14Å; L53-M70 HydrophobicContact CD2-CE 3.94Å; L53-M70 HydrophobicContact CD2-CG 4.2Å; L53-M70 HydrophobicContact CD2-SD 4.49Å; L53-M70 HydrophobicContact CG-CE 4.1Å; L53-T88 WeakPolarHBondContact CD2-O 3.45Å; L53-I90 HydrophobicContact CB-CB 4.21Å; L53-R176 VanDerWaalsContact CD2-CZ 3.43Å
54	R	91	Very high	91.4	Very high	126 Å²	126	42.3 Å²	42.3	48%	0.475	23%	0.226	S	C	.	.	H	α-helix	trans	-56.6	-44.2	178.2	-175.6	178.1	170.6	-152.7	-4.9	111.1	L50 D51 S57 L58 M70 Y210	L50-R54 WeakPolarHBondContact O-CB 3.01Å; L50-R54 PolarHBondContact O-N 3.05Å; D51-R54 PolarHBondContact O-N 3.24Å; R54-S57 PolarHBondContact O-N 2.9Å; R54-S57 PolarHBondContact O-OG 3.35Å; R54-L58 PolarHBondContact O-N 3.2Å; R54-M70 HydrophobicContact CB-CE 4.22Å; R54-M70 HydrophobicContact CB-SD 4.09Å; R54-Y210 WeakPolarHBondContact CD-OH 2.96Å
55	Y	88.7	Confident	91.3	Very high	56 Å²	56	48.5 Å²	48.5	22%	0.22	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-50.7	173.6	-176.8	-108.1	0	0	0	113.1	D51 K52 L53 S57 L58 F112 L116 V120 I122	D51-Y55 PolarHBondContact O-N 3.43Å; K52-Y55 PolarHBondContact O-N 3.46Å; L53-Y55 VanDerWaalsContact C-N 3.3Å; L53-Y55 PolarHBondContact O-N 2.82Å; Y55-S57 PolarHBondContact O-N 3.42Å; Y55-L58 WeakPolarHBondContact O-CB 3.44Å; Y55-L58 PolarHBondContact O-N 3.22Å; Y55-F112 AromaticContact CD1-CE1 3.98Å; Y55-F112 HydrophobicContact CD1-CE1 3.98Å; Y55-F112 AromaticContact CD1-CZ 3.65Å; Y55-F112 HydrophobicContact CD1-CZ 3.65Å; Y55-F112 HydrophobicContact CG-CE1 4.38Å; Y55-F112 HydrophobicContact CG-CZ 4.24Å; Y55-L116 HydrophobicContact CD1-CD2 3.81Å; Y55-L116 HydrophobicContact CD2-CD2 4.17Å; Y55-L116 HydrophobicContact CE1-CD2 3.39Å; Y55-L116 HydrophobicContact CE2-CD2 3.78Å; Y55-L116 HydrophobicContact CG-CD2 4.16Å; Y55-V120 HydrophobicContact CD2-CG1 4.08Å; Y55-V120 HydrophobicContact CE2-CG1 3.74Å; Y55-V120 HydrophobicContact CE2-CG2 4.2Å; Y55-I122 HydrophobicContact CD2-CD1 3.4Å; Y55-I122 HydrophobicContact CE2-CD1 4.29Å; Y55-I122 HydrophobicContact CG-CD1 3.66Å
56	K	88.8	Confident	91.1	Very high	62 Å²	62	48.1 Å²	48.1	27%	0.27	26%	0.259	S	S	.	.	H	α-helix	trans	-52.4	-40.7	175.6	-88.6	-159	175.1	-172.6	0	110.8	K52 L53 L58 T59 D60 V63 I90 D150	K52-K56 PolarHBondContact O-N 2.91Å; L53-K56 PolarHBondContact O-N 3.11Å; K56-L58 VanDerWaalsContact C-N 3.28Å; K56-L58 PolarHBondContact O-N 3.23Å; K56-T59 PolarHBondContact O-N 2.93Å; K56-T59 VanDerWaalsContact O-N 3.08Å; K56-T59 PolarHBondContact O-OG1 3.4Å; K56-D60 PolarHBondContact O-N 2.97Å; K56-V63 HydrophobicContact CB-CG1 4.3Å; K56-V63 HydrophobicContact CB-CG2 4.15Å; K56-V63 HydrophobicContact CD-CG1 4.33Å; K56-I90 HydrophobicContact CD-CD1 3.76Å; K56-I90 HydrophobicContact CG-CD1 4.33Å; K56-D150 IonicContact NZ-OD2 2.77Å; K56-D150 PolarHBondContact NZ-OD2 3.31Å
57	S	90.9	Very high	90.8	Very high	20 Å²	20	49.4 Å²	49.4	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-20.1	179.7	76.8	0	0	0	0	115.4	L53 R54 Y55 D60	L53-S57 PolarHBondContact O-N 3.02Å; R54-S57 PolarHBondContact O-N 2.9Å; R54-S57 PolarHBondContact O-OG 3.35Å; Y55-S57 PolarHBondContact O-N 3.42Å; S57-D60 WeakPolarHBondContact CA-O 3.15Å
58	L	88.6	Confident	90.6	Very high	134 Å²	134	57 Å²	57	70%	0.702	31%	0.307	S	S	*	.	H	α-helix	trans	-75.8	-29.4	172.2	-62.1	175.2	0	0	0	112	R54 Y55 K56	R54-L58 PolarHBondContact O-N 3.2Å; Y55-L58 WeakPolarHBondContact O-CB 3.44Å; Y55-L58 PolarHBondContact O-N 3.22Å; K56-L58 VanDerWaalsContact C-N 3.28Å; K56-L58 PolarHBondContact O-N 3.23Å
59	T	87.5	Confident	90.7	Very high	102 Å²	102	62.9 Å²	62.9	63%	0.626	34%	0.335	S	S	*	.	H	α-helix	trans	-93.7	-31.5	178.7	48.4	0	0	0	0	113.4	K56	K56-T59 PolarHBondContact O-N 2.93Å; K56-T59 VanDerWaalsContact O-N 3.08Å; K56-T59 PolarHBondContact O-OG1 3.4Å
60	D	90.3	Very high	90.7	Very high	75 Å²	75	64 Å²	64	40%	0.401	34%	0.338	S	S	.	.			trans	-147	96.8	-179.6	174.9	8	0	0	0	109	K56 S57 S62 V63	K56-D60 PolarHBondContact O-N 2.97Å; S57-D60 WeakPolarHBondContact CA-O 3.15Å; D60-S62 VanDerWaalsContact CG-OG 3.3Å; D60-S62 PolarHBondContact O-N 2.71Å; D60-S62 WeakPolarHBondContact OD1-CB 3.36Å; D60-S62 PolarHBondContact OD1-N 3.47Å; D60-S62 PolarHBondContact OD1-OG 3.32Å; D60-S62 PolarHBondContact OD2-OG 3.42Å; D60-V63 HydrophobicContact CB-CG1 4.42Å; D60-V63 WeakPolarHBondContact O-CG2 3.4Å; D60-V63 PolarHBondContact O-N 2.98Å
61	P	91.5	Very high	90.8	Very high	91 Å²	91	65.4 Å²	65.4	59%	0.591	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-60.6	-22.4	179.7	-27.3	36.5	0	0	0	114.7	V63 L64	P61-V63 PolarHBondContact O-N 3.16Å; P61-V63 VanDerWaalsContact O-N 3.12Å; P61-L64 WeakPolarHBondContact O-CB 3.5Å; P61-L64 PolarHBondContact O-N 2.97Å; P61-L64 VanDerWaalsContact O-N 3.08Å
62	S	92.2	Very high	91.1	Very high	60 Å²	60	64.6 Å²	64.6	42%	0.42	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-66.1	-16.4	-175.2	72.8	0	0	0	0	113.5	D60 L64 D65	D60-S62 VanDerWaalsContact CG-OG 3.3Å; D60-S62 PolarHBondContact O-N 2.71Å; D60-S62 WeakPolarHBondContact OD1-CB 3.36Å; D60-S62 PolarHBondContact OD1-N 3.47Å; D60-S62 PolarHBondContact OD1-OG 3.32Å; D60-S62 PolarHBondContact OD2-OG 3.42Å; S62-L64 PolarHBondContact O-N 2.88Å; S62-L64 VanDerWaalsContact O-N 3.08Å; S62-D65 WeakPolarHBondContact O-CB 3.31Å; S62-D65 PolarHBondContact O-N 3.37Å
63	V	91.5	Very high	91.4	Very high	12 Å²	12	65 Å²	65	7%	0.073	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-61.6	-17.6	172.8	-52.8	0	0	0	0	113.3	L53 K56 D60 P61 T66 N149 R176	L53-V63 HydrophobicContact CD1-CB 4.44Å; L53-V63 HydrophobicContact CD1-CG2 3.99Å; K56-V63 HydrophobicContact CB-CG1 4.3Å; K56-V63 HydrophobicContact CB-CG2 4.15Å; K56-V63 HydrophobicContact CD-CG1 4.33Å; D60-V63 HydrophobicContact CB-CG1 4.42Å; D60-V63 WeakPolarHBondContact O-CG2 3.4Å; D60-V63 PolarHBondContact O-N 2.98Å; P61-V63 PolarHBondContact O-N 3.16Å; P61-V63 VanDerWaalsContact O-N 3.12Å; V63-T66 PolarHBondContact O-OG1 3Å; V63-N149 WeakPolarHBondContact CA-ND2 3.35Å; V63-N149 PolarHBondContact O-ND2 3.42Å; V63-R176 PolarHBondContact O-NH1 3.4Å
64	L	92.3	Very high	91.6	Very high	38 Å²	38	64.9 Å²	64.9	20%	0.199	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-88.5	-8.6	176.6	-58.2	-176.4	0	0	0	113.9	L53 P61 S62 T66 G67 E68 M70	L53-L64 HydrophobicContact CD1-CD2 4.15Å; L53-L64 HydrophobicContact CD2-CD2 4.28Å; L53-L64 HydrophobicContact CG-CD2 4.14Å; P61-L64 WeakPolarHBondContact O-CB 3.5Å; P61-L64 PolarHBondContact O-N 2.97Å; P61-L64 VanDerWaalsContact O-N 3.08Å; S62-L64 PolarHBondContact O-N 2.88Å; S62-L64 VanDerWaalsContact O-N 3.08Å; L64-T66 PolarHBondContact O-N 3.47Å; L64-T66 VanDerWaalsContact O-N 3.11Å; L64-G67 CarbonylContact O-C 3.55Å; L64-G67 WeakPolarHBondContact O-CA 3.38Å; L64-G67 PolarHBondContact O-N 2.88Å; L64-E68 HydrophobicContact CB-CG 4.5Å; L64-M70 HydrophobicContact CD2-CE 3.63Å
65	D	89.6	Confident	91.9	Very high	131 Å²	131	61.4 Å²	61.4	70%	0.701	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.2	177.6	-68.4	-5.2	0	0	0	112.4	S62 G67	S62-D65 WeakPolarHBondContact O-CB 3.31Å; S62-D65 PolarHBondContact O-N 3.37Å; D65-G67 VanDerWaalsContact C-N 3.34Å
66	T	88.5	Confident	92.3	Very high	41 Å²	41	60.2 Å²	60.2	25%	0.252	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-13.2	171.1	49.7	0	0	0	0	113.7	V63 L64 N149 K175 R176	V63-T66 PolarHBondContact O-OG1 3Å; L64-T66 PolarHBondContact O-N 3.47Å; L64-T66 VanDerWaalsContact O-N 3.11Å; T66-N149 WeakPolarHBondContact CG2-OD1 3.26Å; T66-N149 PolarHBondContact OG1-OD1 2.88Å; T66-K175 HydrophobicContact CG2-CB 4.33Å; T66-K175 WeakPolarHBondContact O-CB 3.12Å; T66-R176 PolarHBondContact OG1-NH1 3.08Å
67	G	88.5	Confident	92.6	Very high	30 Å²	30	60.2 Å²	60.2	31%	0.309	33%	0.333	S	S	.	.			trans	155.3	124.7	172.1	0	0	0	0	0	112.3	L64 D65 R176	L64-G67 CarbonylContact O-C 3.55Å; L64-G67 WeakPolarHBondContact O-CA 3.38Å; L64-G67 PolarHBondContact O-N 2.88Å; D65-G67 VanDerWaalsContact C-N 3.34Å; G67-R176 PolarHBondContact O-NH1 2.83Å; G67-R176 PolarHBondContact O-NH2 3.01Å
68	E	90	Very high	92.6	Very high	161 Å²	161	66 Å²	66	75%	0.752	36%	0.356	S	S	*	.			trans	-76.4	-29.9	179.2	-62.4	179.5	177.9	0	0	113.3	L64 M70	L64-E68 HydrophobicContact CB-CG 4.5Å; E68-M70 PolarHBondContact O-N 3.17Å
69	E	92.5	Very high	92.8	Very high	125 Å²	125	68.9 Å²	68.9	58%	0.584	37%	0.365	S	S	*	.			trans	-67.3	121.9	-176.2	-74.8	-164	-161.6	0	0	112.5	Y71 T88 K213	E69-Y71 HydrophobicContact CB-CD1 3.93Å; E69-Y71 HydrophobicContact CB-CE1 3.98Å; E69-Y71 WeakPolarHBondContact OE2-CD1 3.47Å; E69-Y71 WeakPolarHBondContact OE2-CE1 3.29Å; E69-T88 WeakPolarHBondContact O-CB 3.49Å; E69-T88 PolarHBondContact O-OG1 3.01Å; E69-K213 IonicContact OE2-NZ 3.75Å
70	M	94.7	Very high	93.1	Very high	37 Å²	37	66.8 Å²	66.8	18%	0.182	36%	0.359	C	S	.	.			trans	-106.6	102.9	175.7	-67.1	-175.4	-167.2	0	0	110.3	L50 L53 R54 L64 E68 T88 Y210 P211	L50-M70 HydrophobicContact CD2-CB 3.86Å; L50-M70 HydrophobicContact CD2-CG 4.24Å; L53-M70 HydrophobicContact CD2-CE 3.94Å; L53-M70 HydrophobicContact CD2-CG 4.2Å; L53-M70 HydrophobicContact CD2-SD 4.49Å; L53-M70 HydrophobicContact CG-CE 4.1Å; R54-M70 HydrophobicContact CB-CE 4.22Å; R54-M70 HydrophobicContact CB-SD 4.09Å; L64-M70 HydrophobicContact CD2-CE 3.63Å; E68-M70 PolarHBondContact O-N 3.17Å; M70-T88 WeakPolarHBondContact CA-OG1 3.44Å; M70-Y210 HydrophobicContact CB-CD1 3.76Å; M70-Y210 HydrophobicContact CB-CE1 3.99Å; M70-Y210 HydrophobicContact SD-CE1 3.96Å; M70-P211 WeakPolarHBondContact O-CD 3.14Å
71	Y	95.8	Very high	93.4	Very high	29 Å²	29	64 Å²	64	11%	0.114	35%	0.347	C	S	.	.			trans	-147.4	168.1	179.5	64.8	-107.8	0	0	0	113.1	E69 K73 L86 T88 P211	E69-Y71 HydrophobicContact CB-CD1 3.93Å; E69-Y71 HydrophobicContact CB-CE1 3.98Å; E69-Y71 WeakPolarHBondContact OE2-CD1 3.47Å; E69-Y71 WeakPolarHBondContact OE2-CE1 3.29Å; Y71-K73 HydrophobicContact CD2-CB 4.11Å; Y71-K73 HydrophobicContact CE2-CB 3.96Å; Y71-L86 HydrophobicContact CE2-CD2 3.86Å; Y71-T88 HydrophobicContact CD1-CG2 4.27Å; Y71-T88 HydrophobicContact CD2-CG2 4.19Å; Y71-T88 HydrophobicContact CE1-CG2 3.86Å; Y71-T88 HydrophobicContact CE2-CG2 3.76Å; Y71-T88 HydrophobicContact CG-CG2 4.42Å; Y71-T88 PolarHBondContact N-OG1 3.45Å; Y71-T88 PolarHBondContact O-N 3.45Å; Y71-T88 PolarHBondContact O-OG1 3.05Å; Y71-P211 WeakPolarHBondContact CB-O 3.36Å
72	I	97.1	Very high	93.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.1	169.2	-52.9	174.4	0	0	0	107.4	I43 A46 L50 V85 L86 I208 P211 I212 K213	I43-I72 HydrophobicContact CG2-CD1 3.94Å; A46-I72 HydrophobicContact CB-CD1 3.71Å; A46-I72 HydrophobicContact CB-CG1 3.93Å; A46-I72 HydrophobicContact CB-CG2 4.28Å; L50-I72 HydrophobicContact CD1-CD1 4.16Å; L50-I72 HydrophobicContact CD1-CG1 3.61Å; I72-V85 HydrophobicContact CG2-CG1 4.22Å; I72-L86 CarbonylContact C-O 3.55Å; I72-L86 WeakPolarHBondContact CA-O 3.09Å; I72-I208 HydrophobicContact CD1-CG2 4.3Å; I72-P211 PolarHBondContact N-O 3.25Å; I72-P211 VanDerWaalsContact O-O 3.14Å; I72-I212 HydrophobicContact CB-CG1 4.34Å; I72-I212 HydrophobicContact CD1-CG1 4.34Å; I72-I212 CarbonylContact O-C 3.59Å; I72-I212 WeakPolarHBondContact O-CA 3.43Å; I72-K213 PolarHBondContact O-N 3.41Å
73	K	97.2	Very high	93.9	Very high	32 Å²	32	57.4 Å²	57.4	14%	0.139	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.2	-179	-167.4	-177.4	-56.5	-174.1	0	110.5	Y71 I75 L86 K213 V215 E273	Y71-K73 HydrophobicContact CD2-CB 4.11Å; Y71-K73 HydrophobicContact CE2-CB 3.96Å; K73-I75 HydrophobicContact CD-CD1 4.15Å; K73-I75 HydrophobicContact CD-CG1 4.3Å; K73-I75 HydrophobicContact CG-CD1 4.48Å; K73-I75 HydrophobicContact CG-CG1 4.14Å; K73-L86 HydrophobicContact CB-CB 4.47Å; K73-L86 HydrophobicContact CB-CD2 4.09Å; K73-L86 PolarHBondContact N-O 3.04Å; K73-L86 PolarHBondContact O-N 3.04Å; K73-K213 CarbonylContact C-O 3.59Å; K73-K213 WeakPolarHBondContact CA-O 3.3Å; K73-K213 HydrophobicContact CG-CB 4.35Å; K73-V215 HydrophobicContact CD-CG2 3.84Å; K73-V215 HydrophobicContact CG-CG2 3.82Å; K73-E273 WeakPolarHBondContact CE-OE1 3.46Å; K73-E273 IonicContact NZ-OE1 3.87Å; K73-E273 PolarHBondContact NZ-OE1 2.97Å; K73-E273 IonicContact NZ-OE2 2.82Å
74	L	97.5	Very high	94.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.7	177.7	-54.9	-178.7	0	0	0	109	L39 I43 T84 V85 I197 V201 I212 K213 L214 V215	L39-L74 HydrophobicContact CD1-CD1 4.38Å; L39-L74 HydrophobicContact CD1-CD2 3.94Å; L39-L74 HydrophobicContact CD2-CD1 4.46Å; I43-L74 HydrophobicContact CD1-CD1 4.31Å; I43-L74 HydrophobicContact CD1-CD2 4.46Å; I43-L74 HydrophobicContact CG1-CD2 4.49Å; L74-T84 WeakPolarHBondContact CA-O 3.46Å; L74-V85 HydrophobicContact CD2-CB 4.32Å; L74-V85 HydrophobicContact CD2-CG1 3.98Å; L74-V85 HydrophobicContact CD2-CG2 3.92Å; L74-I197 HydrophobicContact CD1-CG2 3.72Å; L74-V201 HydrophobicContact CD1-CG2 3.74Å; L74-I212 HydrophobicContact CD1-CG2 3.95Å; L74-I212 HydrophobicContact CG-CG2 4.22Å; L74-K213 PolarHBondContact N-O 2.72Å; L74-L214 HydrophobicContact CB-CD1 3.81Å; L74-V215 PolarHBondContact O-N 2.9Å
75	I	96.6	Very high	94.5	Very high	54 Å²	54	55.9 Å²	55.9	28%	0.277	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	95	-175.2	-35.2	-178.4	0	0	0	109.4	K73 T84 V215	K73-I75 HydrophobicContact CD-CD1 4.15Å; K73-I75 HydrophobicContact CD-CG1 4.3Å; K73-I75 HydrophobicContact CG-CD1 4.48Å; K73-I75 HydrophobicContact CG-CG1 4.14Å; I75-T84 PolarHBondContact N-O 3.14Å; I75-T84 PolarHBondContact O-N 2.86Å; I75-V215 HydrophobicContact CB-CB 4.48Å; I75-V215 HydrophobicContact CB-CG2 4.32Å; I75-V215 HydrophobicContact CG1-CG2 3.87Å; I75-V215 HydrophobicContact CG2-CB 4.06Å; I75-V215 HydrophobicContact CG2-CG1 4.16Å; I75-V215 HydrophobicContact CG2-CG2 4.15Å
76	P	96.3	Very high	94.8	Very high	30 Å²	30	50.4 Å²	50.4	20%	0.195	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126	172.3	30.4	-31.4	0	0	0	110.6	L83 L192 I197 L214	P76-L83 HydrophobicContact CB-CD1 4.12Å; P76-L192 HydrophobicContact CB-CB 4.43Å; P76-L192 HydrophobicContact CB-CD2 4.15Å; P76-I197 HydrophobicContact CB-CD1 3.87Å; P76-I197 HydrophobicContact CG-CD1 3.94Å; P76-L214 HydrophobicContact CG-CD1 4.33Å
77	N	94.8	Very high	95.3	Very high	63 Å²	63	48.9 Å²	48.9	34%	0.337	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	101.9	173.1	-179	-16.5	0	0	0	109.5	E79 A80 G81 T82	N77-E79 PolarHBondContact OD1-N 3.16Å; N77-A80 HydrophobicContact CB-CB 4.49Å; N77-A80 PolarHBondContact OD1-N 3.07Å; N77-G81 PolarHBondContact O-N 2.91Å; N77-G81 VanDerWaalsContact O-N 3.16Å; N77-T82 PolarHBondContact N-O 3.01Å; N77-T82 PolarHBondContact O-N 3.32Å
78	K	92.3	Very high	95.7	Very high	142 Å²	142	47.9 Å²	47.9	62%	0.617	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-28.3	-179.7	-69.9	-171.1	173.4	-166.9	0	113.9	L192	K78-L192 WeakPolarHBondContact CE-O 3.36Å; K78-L192 HydrophobicContact CG-CB 3.88Å; K78-L192 HydrophobicContact CG-CD1 4.36Å
79	E	92	Very high	95.9	Very high	193 Å²	193	40.2 Å²	40.2	90%	0.902	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-39.5	-178.3	-65.7	164.8	-164.7	0	0	111.2	N77	N77-E79 PolarHBondContact OD1-N 3.16Å
80	A	94.1	Very high	96	Very high	59 Å²	59	35.5 Å²	35.5	49%	0.488	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-3.1	176.6	0	0	0	0	0	114	N77 T82	N77-A80 HydrophobicContact CB-CB 4.49Å; N77-A80 PolarHBondContact OD1-N 3.07Å; A80-T82 VanDerWaalsContact C-N 3.25Å; A80-T82 HydrophobicContact CB-CG2 4.32Å; A80-T82 PolarHBondContact O-N 2.87Å
81	G	96	Very high	96	Very high	16 Å²	16	34.1 Å²	34.1	17%	0.165	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	28.8	-173.9	0	0	0	0	0	113.9	N77 L184	N77-G81 PolarHBondContact O-N 2.91Å; N77-G81 VanDerWaalsContact O-N 3.16Å; G81-L184 WeakPolarHBondContact O-CB 3.15Å; G81-L184 PolarHBondContact O-N 2.94Å
82	T	97.2	Very high	96	Very high	12 Å²	12	34.4 Å²	34.4	7%	0.074	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	144.6	-173.5	55.8	0	0	0	0	113.8	N77 A80 I181 L182 H183 L192	N77-T82 PolarHBondContact N-O 3.01Å; N77-T82 PolarHBondContact O-N 3.32Å; A80-T82 VanDerWaalsContact C-N 3.25Å; A80-T82 HydrophobicContact CB-CG2 4.32Å; A80-T82 PolarHBondContact O-N 2.87Å; T82-I181 HydrophobicContact CG2-CG2 4.03Å; T82-L182 CarbonylContact C-O 3.51Å; T82-L182 WeakPolarHBondContact CA-O 3.29Å; T82-H183 HydrophobicContact CG2-CB 4.5Å; T82-L192 VanDerWaalsContact O-CD2 3.25Å; T82-L192 WeakPolarHBondContact O-CD2 3.49Å
83	L	97.7	Very high	95.9	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.2	166	178.5	58	0	0	0	109.2	F38 P76 L182 L184 L192 I197	F38-L83 HydrophobicContact CE2-CD2 3.85Å; F38-L83 HydrophobicContact CZ-CD2 3.84Å; P76-L83 HydrophobicContact CB-CD1 4.12Å; L83-L182 HydrophobicContact CB-CB 4.4Å; L83-L182 HydrophobicContact CB-CD1 4.36Å; L83-L182 HydrophobicContact CD2-CD1 4.41Å; L83-L182 HydrophobicContact CG-CD1 4.41Å; L83-L182 PolarHBondContact N-O 2.99Å; L83-L182 VanDerWaalsContact O-CB 3.27Å; L83-L182 WeakPolarHBondContact O-CB 3.33Å; L83-L182 WeakPolarHBondContact O-CG 3.26Å; L83-L182 PolarHBondContact O-N 2.62Å; L83-L184 HydrophobicContact CB-CD2 4.46Å; L83-L192 HydrophobicContact CB-CD2 3.8Å; L83-I197 HydrophobicContact CD1-CD1 4.23Å
84	T	97.6	Very high	95.8	Very high	13 Å²	13	38.2 Å²	38.2	8%	0.08	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.3	175.8	-57.4	0	0	0	0	111	L74 I75 K179 V180 I181	L74-T84 WeakPolarHBondContact CA-O 3.46Å; I75-T84 PolarHBondContact N-O 3.14Å; I75-T84 PolarHBondContact O-N 2.86Å; T84-K179 HydrophobicContact CG2-CG 3.56Å; T84-V180 CarbonylContact C-O 3.53Å; T84-V180 WeakPolarHBondContact CA-O 3.3Å; T84-I181 HydrophobicContact CG2-CG1 4.26Å
85	V	97.7	Very high	95.7	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.03	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116.4	166.4	-175.3	0	0	0	0	107.6	L39 L42 I72 L74 V180	L39-V85 HydrophobicContact CD1-CG2 4.11Å; L42-V85 HydrophobicContact CB-CG1 4.45Å; L42-V85 HydrophobicContact CB-CG2 4.34Å; L42-V85 HydrophobicContact CD1-CG2 4.11Å; I72-V85 HydrophobicContact CG2-CG1 4.22Å; L74-V85 HydrophobicContact CD2-CB 4.32Å; L74-V85 HydrophobicContact CD2-CG1 3.98Å; L74-V85 HydrophobicContact CD2-CG2 3.92Å; V85-V180 PolarHBondContact N-O 2.82Å; V85-V180 PolarHBondContact O-N 2.88Å
86	L	97.5	Very high	95.5	Very high	15 Å²	15	41.1 Å²	41.1	8%	0.079	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.8	-178.7	175.1	146.7	0	0	0	110.5	Y71 I72 K73 P174 T178 K179	Y71-L86 HydrophobicContact CE2-CD2 3.86Å; I72-L86 CarbonylContact C-O 3.55Å; I72-L86 WeakPolarHBondContact CA-O 3.09Å; K73-L86 HydrophobicContact CB-CB 4.47Å; K73-L86 HydrophobicContact CB-CD2 4.09Å; K73-L86 PolarHBondContact N-O 3.04Å; K73-L86 PolarHBondContact O-N 3.04Å; L86-P174 HydrophobicContact CD1-CG 4.2Å; L86-P174 HydrophobicContact CD2-CG 4.22Å; L86-T178 CarbonylContact C-O 3.57Å; L86-T178 VanDerWaalsContact CA-O 3.32Å; L86-T178 WeakPolarHBondContact CA-O 3.47Å; L86-K179 HydrophobicContact CD1-CB 4.29Å; L86-K179 HydrophobicContact CD1-CD 4.41Å; L86-K179 HydrophobicContact CD1-CG 4.31Å
87	D	97.3	Very high	95.3	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.053	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.5	175.1	80.4	78.5	0	0	0	111	A46 G89 G177 T178	A46-D87 HydrophobicContact CB-CB 3.7Å; D87-G89 VanDerWaalsContact OD1-CA 3.28Å; D87-G89 WeakPolarHBondContact OD1-CA 3.5Å; D87-G89 PolarHBondContact OD1-N 2.99Å; D87-G177 WeakPolarHBondContact O-CA 3.3Å; D87-T178 PolarHBondContact N-O 2.95Å; D87-T178 PolarHBondContact O-N 3.05Å; D87-T178 WeakPolarHBondContact OD2-CB 3.27Å; D87-T178 PolarHBondContact OD2-OG1 2.98Å
88	T	96.9	Very high	95.1	Very high	8 Å²	8	40.9 Å²	40.9	5%	0.049	23%	0.225	C	C	.	.			trans	-99.9	25.9	174	59.2	0	0	0	0	112.8	L53 E69 M70 Y71 P174 R176	L53-T88 WeakPolarHBondContact CD2-O 3.45Å; E69-T88 WeakPolarHBondContact O-CB 3.49Å; E69-T88 PolarHBondContact O-OG1 3.01Å; M70-T88 WeakPolarHBondContact CA-OG1 3.44Å; Y71-T88 HydrophobicContact CD1-CG2 4.27Å; Y71-T88 HydrophobicContact CD2-CG2 4.19Å; Y71-T88 HydrophobicContact CE1-CG2 3.86Å; Y71-T88 HydrophobicContact CE2-CG2 3.76Å; Y71-T88 HydrophobicContact CG-CG2 4.42Å; Y71-T88 PolarHBondContact N-OG1 3.45Å; Y71-T88 PolarHBondContact O-N 3.45Å; Y71-T88 PolarHBondContact O-OG1 3.05Å; T88-P174 HydrophobicContact CG2-CB 4.5Å; T88-P174 HydrophobicContact CG2-CG 4.41Å; T88-R176 PolarHBondContact O-NE 2.9Å; T88-R176 PolarHBondContact O-NH2 3.2Å
89	G	95.5	Very high	94.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-71.9	-155.8	-178.2	0	0	0	0	0	113.6	A49 D87 G91 R176	A49-G89 WeakPolarHBondContact O-CA 3.5Å; D87-G89 VanDerWaalsContact OD1-CA 3.28Å; D87-G89 WeakPolarHBondContact OD1-CA 3.5Å; D87-G89 PolarHBondContact OD1-N 2.99Å; G89-G91 VanDerWaalsContact C-N 3.33Å; G89-G91 PolarHBondContact O-N 3.23Å; G89-R176 WeakPolarHBondContact O-CD 3.49Å; G89-R176 WeakPolarHBondContact O-CG 3.38Å; G89-R176 PolarHBondContact O-NE 3.41Å
90	I	94.4	Very high	94.7	Very high	27 Å²	27	32.3 Å²	32.3	14%	0.138	19%	0.186	C	C	.	.			trans	-68.8	-27.4	-174.6	-170.1	167.1	0	0	0	114.1	A49 K52 L53 K56 N148	A49-I90 HydrophobicContact CB-CG2 4.43Å; A49-I90 PolarHBondContact O-N 3Å; K52-I90 HydrophobicContact CB-CD1 4.39Å; K52-I90 HydrophobicContact CB-CG2 4.1Å; K52-I90 HydrophobicContact CD-CG2 4.49Å; L53-I90 HydrophobicContact CB-CB 4.21Å; K56-I90 HydrophobicContact CD-CD1 3.76Å; K56-I90 HydrophobicContact CG-CD1 4.33Å; I90-N148 PolarHBondContact O-ND2 3.1Å
91	G	94.9	Very high	94.3	Very high	7 Å²	7	30.4 Å²	30.4	7%	0.072	17%	0.167	C	C	.	.			trans	69.2	170.4	-170.8	0	0	0	0	0	113.7	G89 N148	G89-G91 VanDerWaalsContact C-N 3.33Å; G89-G91 PolarHBondContact O-N 3.23Å; G91-N148 PolarHBondContact O-ND2 3.06Å
92	M	95.6	Very high	93.4	Very high	36 Å²	36	30.9 Å²	30.9	18%	0.177	17%	0.172	C	C	.	.			trans	-115.2	140.2	-179.6	-72.8	172.7	-72.7	0	0	111.5	D96 L97 L101 V144 T146 T178	M92-D96 HydrophobicContact CB-CB 3.79Å; M92-D96 HydrophobicContact CG-CB 4.03Å; M92-L97 HydrophobicContact CB-CD2 4.34Å; M92-L97 HydrophobicContact CB-CG 4.43Å; M92-L97 HydrophobicContact CE-CD2 4.14Å; M92-L97 HydrophobicContact SD-CD2 4.33Å; M92-L101 HydrophobicContact CE-CD1 4.04Å; M92-L101 HydrophobicContact SD-CD1 4.21Å; M92-L101 HydrophobicContact SD-CD2 4.36Å; M92-L101 HydrophobicContact SD-CG 4.08Å; M92-V144 HydrophobicContact CE-CG1 4.05Å; M92-T146 WeakPolarHBondContact CA-OG1 3.14Å; M92-T146 HydrophobicContact CB-CG2 4.36Å; M92-T146 PolarHBondContact N-OG1 3.16Å; M92-T146 WeakPolarHBondContact O-CG2 3.04Å; M92-T146 PolarHBondContact O-OG1 3.1Å; M92-T178 HydrophobicContact CE-CG2 3.71Å
93	T	95.5	Very high	92.5	Very high	24 Å²	24	33.7 Å²	33.7	15%	0.147	19%	0.189	C	C	.	.			trans	-74.5	169	167.2	68.4	0	0	0	0	111.2	A95 D96 L97 N148 D151	T93-A95 PolarHBondContact O-N 2.61Å; T93-A95 PolarHBondContact OG1-N 2.6Å; T93-D96 WeakPolarHBondContact CB-OD2 3.49Å; T93-D96 WeakPolarHBondContact CG2-OD2 3.38Å; T93-D96 PolarHBondContact N-OD2 2.96Å; T93-D96 VanDerWaalsContact N-OD2 3.14Å; T93-D96 WeakPolarHBondContact O-CB 3.39Å; T93-D96 PolarHBondContact O-N 3.09Å; T93-D96 VanDerWaalsContact O-N 3.09Å; T93-D96 PolarHBondContact OG1-N 3.13Å; T93-D96 VanDerWaalsContact OG1-N 3.09Å; T93-D96 PolarHBondContact OG1-OD2 2.6Å; T93-L97 PolarHBondContact O-N 3.39Å; T93-N148 HydrophobicContact CG2-CB 4.14Å; T93-D151 WeakPolarHBondContact CA-OD2 3.38Å; T93-D151 WeakPolarHBondContact CB-OD2 3.39Å; T93-D151 HydrophobicContact CG2-CB 3.86Å
94	K	95.2	Very high	91.7	Very high	88 Å²	88	35.4 Å²	35.4	38%	0.383	20%	0.198	S	C	.	.	H	α-helix	trans	-57.2	-35.2	170.8	-170	176.8	-169	166.6	0	112.6	I98 D151 Y154 I166	K94-I98 WeakPolarHBondContact O-CG1 3.3Å; K94-I98 PolarHBondContact O-N 3.13Å; K94-D151 WeakPolarHBondContact CB-OD2 3.21Å; K94-D151 PolarHBondContact N-OD2 3.2Å; K94-Y154 HydrophobicContact CB-CD2 4.2Å; K94-Y154 HydrophobicContact CB-CE1 4.31Å; K94-Y154 HydrophobicContact CB-CE2 3.81Å; K94-Y154 HydrophobicContact CD-CD1 4.35Å; K94-Y154 HydrophobicContact CD-CE1 3.73Å; K94-Y154 HydrophobicContact CG-CE1 4.26Å; K94-I166 HydrophobicContact CG-CG2 4.4Å
95	A	93.9	Very high	90.8	Very high	66 Å²	66	38.2 Å²	38.2	55%	0.545	22%	0.222	S	C	.	.	H	α-helix	trans	-69.4	-39.4	175.7	0	0	0	0	0	111.7	T93 I98 K99	T93-A95 PolarHBondContact O-N 2.61Å; T93-A95 PolarHBondContact OG1-N 2.6Å; A95-I98 PolarHBondContact O-N 3.08Å; A95-K99 VanDerWaalsContact O-CB 3.28Å; A95-K99 WeakPolarHBondContact O-CB 3.47Å; A95-K99 PolarHBondContact O-N 2.76Å
96	D	92.7	Very high	90	Very high	48 Å²	48	39.3 Å²	39.3	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-65.7	-39.5	175.6	-70.1	-60.7	0	0	0	112.7	M92 T93 I98 K99 N100	M92-D96 HydrophobicContact CB-CB 3.79Å; M92-D96 HydrophobicContact CG-CB 4.03Å; T93-D96 WeakPolarHBondContact CB-OD2 3.49Å; T93-D96 WeakPolarHBondContact CG2-OD2 3.38Å; T93-D96 PolarHBondContact N-OD2 2.96Å; T93-D96 VanDerWaalsContact N-OD2 3.14Å; T93-D96 WeakPolarHBondContact O-CB 3.39Å; T93-D96 PolarHBondContact O-N 3.09Å; T93-D96 VanDerWaalsContact O-N 3.09Å; T93-D96 PolarHBondContact OG1-N 3.13Å; T93-D96 VanDerWaalsContact OG1-N 3.09Å; T93-D96 PolarHBondContact OG1-OD2 2.6Å; D96-I98 VanDerWaalsContact C-N 3.32Å; D96-I98 PolarHBondContact O-N 3.15Å; D96-K99 PolarHBondContact O-N 3.18Å; D96-N100 VanDerWaalsContact CB-ND2 3.34Å; D96-N100 WeakPolarHBondContact CB-ND2 3.17Å; D96-N100 WeakPolarHBondContact O-CA 3.27Å; D96-N100 WeakPolarHBondContact O-CB 3.49Å; D96-N100 PolarHBondContact O-N 3.29Å; D96-N100 PolarHBondContact O-ND2 3.44Å; D96-N100 PolarHBondContact OD1-ND2 2.94Å
97	L	92.5	Very high	89.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.233	C	C	.	.	I	π-helix	trans	-57.5	-45.9	175	-70.7	172.3	0	0	0	111.4	M92 T93 L101 G102 T146 W156 I166	M92-L97 HydrophobicContact CB-CD2 4.34Å; M92-L97 HydrophobicContact CB-CG 4.43Å; M92-L97 HydrophobicContact CE-CD2 4.14Å; M92-L97 HydrophobicContact SD-CD2 4.33Å; T93-L97 PolarHBondContact O-N 3.39Å; L97-L101 HydrophobicContact CD2-CD1 3.76Å; L97-L101 WeakPolarHBondContact O-CB 3.06Å; L97-L101 PolarHBondContact O-N 3.26Å; L97-G102 PolarHBondContact O-N 2.77Å; L97-T146 HydrophobicContact CD1-CG2 3.66Å; L97-T146 HydrophobicContact CD2-CG2 3.81Å; L97-T146 HydrophobicContact CG-CG2 3.96Å; L97-W156 HydrophobicContact CD1-CB 4.28Å; L97-W156 HydrophobicContact CD2-CB 3.99Å; L97-W156 HydrophobicContact CD2-CG 4.43Å; L97-I166 HydrophobicContact CB-CD1 3.67Å; L97-I166 HydrophobicContact CD1-CD1 4.28Å; L97-I166 HydrophobicContact CD1-CG2 4.08Å
98	I	90.6	Very high	88.3	Confident	89 Å²	89	40.1 Å²	40.1	46%	0.456	24%	0.241	S	C	.	.	I	π-helix	trans	-66.7	-47	178.3	-61.6	167.6	0	0	0	111	K94 A95 D96 G102 I166	K94-I98 WeakPolarHBondContact O-CG1 3.3Å; K94-I98 PolarHBondContact O-N 3.13Å; A95-I98 PolarHBondContact O-N 3.08Å; D96-I98 VanDerWaalsContact C-N 3.32Å; D96-I98 PolarHBondContact O-N 3.15Å; I98-G102 VanDerWaalsContact O-CA 3.29Å; I98-G102 WeakPolarHBondContact O-CA 3.23Å; I98-G102 PolarHBondContact O-N 2.66Å; I98-I166 HydrophobicContact CD1-CD1 4.34Å; I98-I166 HydrophobicContact CG1-CD1 3.53Å
99	K	88.8	Confident	87.5	Confident	129 Å²	129	40.1 Å²	40.1	56%	0.561	24%	0.242	S	C	*	.	I	π-helix	trans	-79.6	-33.7	-171.9	-173.7	-172.8	172.7	-168.2	0	114.4	A95 D96 T103 S106	A95-K99 VanDerWaalsContact O-CB 3.28Å; A95-K99 WeakPolarHBondContact O-CB 3.47Å; A95-K99 PolarHBondContact O-N 2.76Å; D96-K99 PolarHBondContact O-N 3.18Å; K99-T103 WeakPolarHBondContact O-CB 3.5Å; K99-T103 PolarHBondContact O-OG1 3.17Å; K99-S106 WeakPolarHBondContact O-CB 3.45Å; K99-S106 PolarHBondContact O-OG 3.47Å
100	N	87	Confident	86.9	Confident	26 Å²	26	45 Å²	45	14%	0.139	26%	0.263	C	S	.	.	I	π-helix	trans	-108.2	-37.2	-168.3	-51.4	-31.9	0	0	0	112.4	D96	D96-N100 VanDerWaalsContact CB-ND2 3.34Å; D96-N100 WeakPolarHBondContact CB-ND2 3.17Å; D96-N100 WeakPolarHBondContact O-CA 3.27Å; D96-N100 WeakPolarHBondContact O-CB 3.49Å; D96-N100 PolarHBondContact O-N 3.29Å; D96-N100 PolarHBondContact O-ND2 3.44Å; D96-N100 PolarHBondContact OD1-ND2 2.94Å
101	L	85	Confident	86.3	Confident	19 Å²	19	45.9 Å²	45.9	10%	0.099	28%	0.275	C	S	.	.	I	π-helix	trans	-92.9	-33	172.6	-58.3	-173.3	0	0	0	112.5	M92 L97 T103 F132 Y133 V144 W156	M92-L101 HydrophobicContact CE-CD1 4.04Å; M92-L101 HydrophobicContact SD-CD1 4.21Å; M92-L101 HydrophobicContact SD-CD2 4.36Å; M92-L101 HydrophobicContact SD-CG 4.08Å; L97-L101 HydrophobicContact CD2-CD1 3.76Å; L97-L101 WeakPolarHBondContact O-CB 3.06Å; L97-L101 PolarHBondContact O-N 3.26Å; L101-T103 VanDerWaalsContact C-N 3.3Å; L101-T103 PolarHBondContact O-N 3.37Å; L101-F132 HydrophobicContact CD1-CZ 4.32Å; L101-F132 HydrophobicContact CD2-CD1 3.99Å; L101-F132 HydrophobicContact CD2-CD2 4.32Å; L101-F132 HydrophobicContact CD2-CE1 4.22Å; L101-F132 HydrophobicContact CD2-CG 4.05Å; L101-F132 HydrophobicContact CD2-CZ 4.49Å; L101-Y133 PolarHBondContact O-OH 2.78Å; L101-V144 HydrophobicContact CD1-CB 4.34Å; L101-V144 HydrophobicContact CD1-CG1 4.13Å; L101-V144 HydrophobicContact CD1-CG2 4.22Å; L101-W156 HydrophobicContact CB-CZ2 4.46Å; L101-W156 HydrophobicContact CD1-CD2 4.44Å
102	G	77	Confident	85.7	Confident	26 Å²	26	47.5 Å²	47.5	27%	0.268	28%	0.279	S	S	.	.	S	Bend	trans	-77.9	-4	179.2	0	0	0	0	0	115.8	L97 I98	L97-G102 PolarHBondContact O-N 2.77Å; I98-G102 VanDerWaalsContact O-CA 3.29Å; I98-G102 WeakPolarHBondContact O-CA 3.23Å; I98-G102 PolarHBondContact O-N 2.66Å
103	T	79.3	Confident	84.9	Confident	70 Å²	70	48.7 Å²	48.7	43%	0.429	29%	0.285	S	S	.	.	S	Bend	trans	-128.4	114.1	-177	-55.1	0	0	0	0	111.2	K99 L101 S106	K99-T103 WeakPolarHBondContact O-CB 3.5Å; K99-T103 PolarHBondContact O-OG1 3.17Å; L101-T103 VanDerWaalsContact C-N 3.3Å; L101-T103 PolarHBondContact O-N 3.37Å; T103-S106 WeakPolarHBondContact O-CB 3.41Å; T103-S106 PolarHBondContact O-N 3.29Å; T103-S106 VanDerWaalsContact O-N 3.16Å
104	I	81.3	Confident	84.1	Confident	38 Å²	38	53.8 Å²	53.8	20%	0.195	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	139	178.2	-59.3	173.4	0	0	0	110.3	I20 L23 M24 I27 S106 V130 Y133	I20-I104 HydrophobicContact CG2-CD1 4.02Å; L23-I104 HydrophobicContact CB-CD1 4.41Å; L23-I104 HydrophobicContact CD2-CB 4.4Å; L23-I104 HydrophobicContact CD2-CD1 3.96Å; L23-I104 HydrophobicContact CD2-CG2 3.91Å; L23-I104 HydrophobicContact CG-CD1 4.05Å; L23-I104 HydrophobicContact CG-CG2 4.31Å; M24-I104 HydrophobicContact CG-CD1 3.87Å; M24-I104 HydrophobicContact SD-CD1 3.71Å; M24-I104 HydrophobicContact SD-CG1 4.17Å; I27-I104 HydrophobicContact CD1-CD1 4.42Å; I27-I104 HydrophobicContact CD1-CG2 3.51Å; I104-S106 PolarHBondContact O-N 2.96Å; I104-V130 HydrophobicContact CG2-CG1 4.33Å; I104-Y133 HydrophobicContact CB-CE2 4.33Å; I104-Y133 HydrophobicContact CG1-CE2 3.92Å; I104-Y133 HydrophobicContact CG2-CE2 4.4Å
105	A	79	Confident	83.4	Confident	71 Å²	71	53.5 Å²	53.5	59%	0.587	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	13.5	-175.3	0	0	0	0	0	115	G129	A105-G129 WeakPolarHBondContact CA-O 3.24Å; A105-G129 PolarHBondContact N-O 3Å
106	S	79.8	Confident	82.5	Confident	28 Å²	28	51.7 Å²	51.7	20%	0.196	30%	0.302	C	S	.	.			trans	-85	134.1	164.8	-170.8	0	0	0	0	109.8	K99 T103 I104 G129	K99-S106 WeakPolarHBondContact O-CB 3.45Å; K99-S106 PolarHBondContact O-OG 3.47Å; T103-S106 WeakPolarHBondContact O-CB 3.41Å; T103-S106 PolarHBondContact O-N 3.29Å; T103-S106 VanDerWaalsContact O-N 3.16Å; I104-S106 PolarHBondContact O-N 2.96Å; S106-G129 WeakPolarHBondContact O-CA 3.38Å
107	S	81.1	Confident	81	Confident	19 Å²	19	52.7 Å²	52.7	13%	0.133	32%	0.318	C	S	.	.			trans	-134.5	111.3	174.6	177.4	0	0	0	0	111.6	T109 K110 A111 G126 Q127	S107-T109 PolarHBondContact O-N 3.26Å; S107-T109 WeakPolarHBondContact OG-CB 3.42Å; S107-T109 PolarHBondContact OG-N 3.49Å; S107-K110 PolarHBondContact O-N 3.06Å; S107-K110 VanDerWaalsContact O-N 3.12Å; S107-K110 PolarHBondContact OG-N 2.77Å; S107-K110 VanDerWaalsContact OG-N 3.12Å; S107-A111 PolarHBondContact O-N 2.74Å; S107-G126 PolarHBondContact OG-O 3.24Å; S107-Q127 WeakPolarHBondContact CB-O 3.46Å
108	G	79	Confident	79.4	Confident	23 Å²	23	61.1 Å²	61.1	24%	0.237	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-1.3	164.9	0	0	0	0	0	113.7	K52	K52-G108 VanDerWaalsContact NZ-C 3.33Å; K52-G108 PolarHBondContact NZ-O 3Å
109	T	80.4	Confident	77.7	Confident	9 Å²	9	61 Å²	61	6%	0.055	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-47	163.8	-68.4	0	0	0	0	110.7	D48 K52 S107 A111 F112 M113 M124	D48-T109 WeakPolarHBondContact OD2-CB 3.27Å; D48-T109 WeakPolarHBondContact OD2-CG2 3.14Å; D48-T109 PolarHBondContact OD2-OG1 3.27Å; K52-T109 WeakPolarHBondContact CE-OG1 3.39Å; K52-T109 VanDerWaalsContact NZ-CA 3.33Å; K52-T109 PolarHBondContact NZ-OG1 2.9Å; S107-T109 PolarHBondContact O-N 3.26Å; S107-T109 WeakPolarHBondContact OG-CB 3.42Å; S107-T109 PolarHBondContact OG-N 3.49Å; T109-A111 PolarHBondContact O-N 2.88Å; T109-F112 PolarHBondContact O-N 3.44Å; T109-F112 VanDerWaalsContact O-N 3.12Å; T109-M113 WeakPolarHBondContact O-CG 3.45Å; T109-M113 PolarHBondContact O-N 2.91Å; T109-M124 HydrophobicContact CG2-CB 3.55Å; T109-M124 HydrophobicContact CG2-CG 4.23Å; T109-M124 HydrophobicContact CG2-SD 3.97Å
110	K	82	Confident	76.4	Confident	101 Å²	101	57.5 Å²	57.5	44%	0.439	37%	0.373	S	S	.	.	H	α-helix	trans	-59.3	-46.8	176.2	-174.8	176.3	-179.5	-71.5	0	111.5	S107 F112 M113 E114	S107-K110 PolarHBondContact O-N 3.06Å; S107-K110 VanDerWaalsContact O-N 3.12Å; S107-K110 PolarHBondContact OG-N 2.77Å; S107-K110 VanDerWaalsContact OG-N 3.12Å; K110-F112 PolarHBondContact O-N 2.84Å; K110-M113 WeakPolarHBondContact O-CB 3.35Å; K110-M113 PolarHBondContact O-N 2.94Å; K110-E114 IonicContact NZ-OE1 2.71Å; K110-E114 PolarHBondContact NZ-OE1 2.85Å; K110-E114 IonicContact NZ-OE2 2.67Å; K110-E114 WeakPolarHBondContact O-CG 3.06Å; K110-E114 PolarHBondContact O-N 3.43Å
111	A	81.9	Confident	75.1	Confident	47 Å²	47	63.8 Å²	63.8	39%	0.388	41%	0.406	S	S	.	.	H	α-helix	trans	-64.6	-22.6	177.6	0	0	0	0	0	114	S107 T109	S107-A111 PolarHBondContact O-N 2.74Å; T109-A111 PolarHBondContact O-N 2.88Å
112	F	82.6	Confident	74.2	Confident	40 Å²	40	64.3 Å²	64.3	18%	0.175	41%	0.409	C	S	.	.	H	α-helix	trans	-82.6	-42.1	174	-168.7	-78.6	0	0	0	111	K52 Y55 T109 K110 E114 A115 L116 M124	K52-F112 HydrophobicContact CB-CD2 4.35Å; K52-F112 HydrophobicContact CB-CE1 4.44Å; K52-F112 HydrophobicContact CB-CE2 3.84Å; K52-F112 HydrophobicContact CB-CZ 3.86Å; K52-F112 HydrophobicContact CD-CB 4.49Å; K52-F112 HydrophobicContact CD-CD2 4.05Å; K52-F112 HydrophobicContact CD-CE2 4.37Å; K52-F112 HydrophobicContact CD-CG 4.21Å; K52-F112 HydrophobicContact CG-CD1 3.99Å; K52-F112 HydrophobicContact CG-CD2 3.79Å; K52-F112 HydrophobicContact CG-CE1 3.92Å; K52-F112 HydrophobicContact CG-CE2 3.73Å; K52-F112 HydrophobicContact CG-CG 3.9Å; K52-F112 HydrophobicContact CG-CZ 3.77Å; Y55-F112 AromaticContact CD1-CE1 3.98Å; Y55-F112 HydrophobicContact CD1-CE1 3.98Å; Y55-F112 AromaticContact CD1-CZ 3.65Å; Y55-F112 HydrophobicContact CD1-CZ 3.65Å; Y55-F112 HydrophobicContact CG-CE1 4.38Å; Y55-F112 HydrophobicContact CG-CZ 4.24Å; T109-F112 PolarHBondContact O-N 3.44Å; T109-F112 VanDerWaalsContact O-N 3.12Å; K110-F112 PolarHBondContact O-N 2.84Å; F112-E114 VanDerWaalsContact C-N 3.27Å; F112-E114 PolarHBondContact O-N 3.34Å; F112-A115 PolarHBondContact O-N 3.03Å; F112-L116 HydrophobicContact CD1-CD1 4.4Å; F112-L116 HydrophobicContact CD1-CD2 4.35Å; F112-L116 HydrophobicContact CD1-CG 4.23Å; F112-L116 HydrophobicContact CE1-CD1 4.41Å; F112-L116 HydrophobicContact CE1-CD2 3.92Å; F112-L116 HydrophobicContact CE1-CG 4.27Å; F112-L116 PolarHBondContact O-N 2.84Å; F112-M124 HydrophobicContact CD1-CE 3.43Å; F112-M124 VanDerWaalsContact CD1-CE 3.43Å; F112-M124 HydrophobicContact CD1-SD 4.03Å; F112-M124 HydrophobicContact CE1-CE 3.97Å; F112-M124 HydrophobicContact CG-CE 4.39Å
113	M	77.9	Confident	73.6	Confident	61 Å²	61	63.9 Å²	63.9	30%	0.3	40%	0.402	S	S	.	.	H	α-helix	trans	-54.3	-44.5	170.5	-70.6	-73	-59.3	0	0	111.3	T109 K110 A115 L116 M124	T109-M113 WeakPolarHBondContact O-CG 3.45Å; T109-M113 PolarHBondContact O-N 2.91Å; K110-M113 WeakPolarHBondContact O-CB 3.35Å; K110-M113 PolarHBondContact O-N 2.94Å; M113-A115 PolarHBondContact O-N 2.79Å; M113-L116 PolarHBondContact O-N 3.34Å; M113-M124 HydrophobicContact CG-CE 3.85Å; M113-M124 HydrophobicContact SD-CB 4.07Å; M113-M124 HydrophobicContact SD-CE 3.45Å; M113-M124 WeakPolarHBondContact SD-CE 3.46Å
114	E	80.3	Confident	73.4	Confident	132 Å²	132	60.6 Å²	60.6	62%	0.617	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.5	177.4	-70.3	171.5	160.5	0	0	114.2	K110 F112	K110-E114 IonicContact NZ-OE1 2.71Å; K110-E114 PolarHBondContact NZ-OE1 2.85Å; K110-E114 IonicContact NZ-OE2 2.67Å; K110-E114 WeakPolarHBondContact O-CG 3.06Å; K110-E114 PolarHBondContact O-N 3.43Å; F112-E114 VanDerWaalsContact C-N 3.27Å; F112-E114 PolarHBondContact O-N 3.34Å
115	A	79.7	Confident	73	Confident	81 Å²	81	59.7 Å²	59.7	67%	0.669	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-3.9	177.7	0	0	0	0	0	113.4	F112 M113	F112-A115 PolarHBondContact O-N 3.03Å; M113-A115 PolarHBondContact O-N 2.79Å
116	L	75.4	Confident	72.6	Confident	28 Å²	28	56.7 Å²	56.7	15%	0.147	35%	0.353	C	S	.	.	S	Bend	trans	-78	144.1	169.5	-67.2	178.7	0	0	0	109.9	Y55 F112 M113 V120 I122 M124	Y55-L116 HydrophobicContact CD1-CD2 3.81Å; Y55-L116 HydrophobicContact CD2-CD2 4.17Å; Y55-L116 HydrophobicContact CE1-CD2 3.39Å; Y55-L116 HydrophobicContact CE2-CD2 3.78Å; Y55-L116 HydrophobicContact CG-CD2 4.16Å; F112-L116 HydrophobicContact CD1-CD1 4.4Å; F112-L116 HydrophobicContact CD1-CD2 4.35Å; F112-L116 HydrophobicContact CD1-CG 4.23Å; F112-L116 HydrophobicContact CE1-CD1 4.41Å; F112-L116 HydrophobicContact CE1-CD2 3.92Å; F112-L116 HydrophobicContact CE1-CG 4.27Å; F112-L116 PolarHBondContact O-N 2.84Å; M113-L116 PolarHBondContact O-N 3.34Å; L116-V120 HydrophobicContact CD1-CG1 4.3Å; L116-V120 HydrophobicContact CD2-CG1 4.26Å; L116-I122 HydrophobicContact CD1-CB 4.04Å; L116-I122 HydrophobicContact CD1-CD1 4.28Å; L116-I122 HydrophobicContact CD1-CG2 4.46Å; L116-M124 HydrophobicContact CD1-CE 4.05Å
117	A	60.3	Low	72.3	Confident	70 Å²	70	59.1 Å²	59.1	58%	0.579	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-79.8	152.1	171.7	0	0	0	0	0	111	G119 V120	A117-G119 PolarHBondContact O-N 2.65Å; A117-V120 PolarHBondContact O-N 3.31Å
118	D	59	Low	72.1	Confident	177 Å²	177	61.5 Å²	61.5	95%	0.947	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	128.7	174.5	-66.9	-43.5	0	0	0	111.1
119	G	55.9	Low	72.1	Confident	87 Å²	87	61.2 Å²	61.2	90%	0.897	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.1	3.7	178.9	0	0	0	0	0	116.2	A117	A117-G119 PolarHBondContact O-N 2.65Å
120	V	59.8	Low	72.3	Confident	55 Å²	55	61.2 Å²	61.2	33%	0.333	37%	0.366	S	S	.	.			trans	-86.9	114.9	170.8	178.7	0	0	0	0	110.9	Y55 L116 A117 I122	Y55-V120 HydrophobicContact CD2-CG1 4.08Å; Y55-V120 HydrophobicContact CE2-CG1 3.74Å; Y55-V120 HydrophobicContact CE2-CG2 4.2Å; L116-V120 HydrophobicContact CD1-CG1 4.3Å; L116-V120 HydrophobicContact CD2-CG1 4.26Å; A117-V120 PolarHBondContact O-N 3.31Å; V120-I122 VanDerWaalsContact C-N 3.33Å; V120-I122 HydrophobicContact CG1-CB 4.38Å; V120-I122 HydrophobicContact CG1-CD1 3.67Å; V120-I122 HydrophobicContact CG1-CG1 3.79Å; V120-I122 PolarHBondContact O-N 2.95Å
121	D	61.3	Low	72.5	Confident	158 Å²	158	56.8 Å²	56.8	85%	0.845	35%	0.35	S	S	*	.			trans	-76.4	77.4	176.8	-175.3	18.3	0	0	0	112
122	I	65.2	Low	72.9	Confident	30 Å²	30	55.6 Å²	55.6	15%	0.154	34%	0.336	C	S	.	.			trans	-127.8	105.6	171.1	-66.1	173.1	0	0	0	110	Y55 L116 V120 M124	Y55-I122 HydrophobicContact CD2-CD1 3.4Å; Y55-I122 HydrophobicContact CE2-CD1 4.29Å; Y55-I122 HydrophobicContact CG-CD1 3.66Å; L116-I122 HydrophobicContact CD1-CB 4.04Å; L116-I122 HydrophobicContact CD1-CD1 4.28Å; L116-I122 HydrophobicContact CD1-CG2 4.46Å; V120-I122 VanDerWaalsContact C-N 3.33Å; V120-I122 HydrophobicContact CG1-CB 4.38Å; V120-I122 HydrophobicContact CG1-CD1 3.67Å; V120-I122 HydrophobicContact CG1-CG1 3.79Å; V120-I122 PolarHBondContact O-N 2.95Å; I122-M124 HydrophobicContact CG2-CE 3.55Å; I122-M124 HydrophobicContact CG2-CG 3.84Å; I122-M124 HydrophobicContact CG2-SD 4.3Å; I122-M124 PolarHBondContact O-N 2.92Å
123	S	64	Low	73.3	Confident	17 Å²	17	54.2 Å²	54.2	12%	0.119	33%	0.329	C	S	.	.			trans	-94.1	80.4	176.5	-165	0	0	0	0	111.7	R353 E379	S123-R353 WeakPolarHBondContact OG-CD 3.3Å; S123-R353 VanDerWaalsContact OG-CG 3.28Å; S123-R353 WeakPolarHBondContact OG-CG 3.4Å; S123-R353 PolarHBondContact OG-NE 3.42Å; S123-R353 PolarHBondContact OG-NH1 3.48Å; S123-E379 WeakPolarHBondContact CB-OE2 3.4Å; S123-E379 PolarHBondContact OG-OE2 2.9Å
124	M	75.1	Confident	73.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	32%	0.315	C	S	.	.			trans	-78	156.3	173.1	-80.7	171	-76	0	0	112.8	D48 D51 K52 T109 F112 M113 L116 I122 R353	D48-M124 WeakPolarHBondContact OD1-CB 3.43Å; D51-M124 HydrophobicContact CB-CG 4.44Å; K52-M124 HydrophobicContact CD-SD 4.36Å; K52-M124 VanDerWaalsContact CE-SD 3.55Å; K52-M124 HydrophobicContact CG-SD 3.79Å; T109-M124 HydrophobicContact CG2-CB 3.55Å; T109-M124 HydrophobicContact CG2-CG 4.23Å; T109-M124 HydrophobicContact CG2-SD 3.97Å; F112-M124 HydrophobicContact CD1-CE 3.43Å; F112-M124 VanDerWaalsContact CD1-CE 3.43Å; F112-M124 HydrophobicContact CD1-SD 4.03Å; F112-M124 HydrophobicContact CE1-CE 3.97Å; F112-M124 HydrophobicContact CG-CE 4.39Å; M113-M124 HydrophobicContact CG-CE 3.85Å; M113-M124 HydrophobicContact SD-CB 4.07Å; M113-M124 HydrophobicContact SD-CE 3.45Å; M113-M124 WeakPolarHBondContact SD-CE 3.46Å; L116-M124 HydrophobicContact CD1-CE 4.05Å; I122-M124 HydrophobicContact CG2-CE 3.55Å; I122-M124 HydrophobicContact CG2-CG 3.84Å; I122-M124 HydrophobicContact CG2-SD 4.3Å; I122-M124 PolarHBondContact O-N 2.92Å; M124-R353 WeakPolarHBondContact O-CD 3.4Å; M124-R353 PolarHBondContact O-NH1 3.11Å
125	I	72.9	Confident	74.5	Confident	19 Å²	19	45 Å²	45	10%	0.097	29%	0.286	C	S	.	.			trans	-108	-41.7	-164.6	-64.7	151.6	0	0	0	112.5	D48 Q127 I208 R353 V355 R387	D48-I125 PolarHBondContact OD1-N 3.42Å; I125-Q127 VanDerWaalsContact C-N 3.28Å; I125-Q127 PolarHBondContact O-N 3.22Å; I125-I208 HydrophobicContact CD1-CD1 4.46Å; I125-R353 HydrophobicContact CG1-CB 4.07Å; I125-V355 HydrophobicContact CD1-CG2 3.62Å; I125-V355 HydrophobicContact CG1-CG2 4.17Å; I125-V355 HydrophobicContact CG2-CG2 4.27Å; I125-R387 PolarHBondContact O-NH1 3.42Å; I125-R387 VanDerWaalsContact O-NH1 3.14Å; I125-R387 PolarHBondContact O-NH2 3.16Å
126	G	70.1	Confident	75.2	Confident	8 Å²	8	41.5 Å²	41.5	8%	0.082	26%	0.255	C	S	.	.			trans	-75.8	37.6	-164.8	0	0	0	0	0	118.2	D48 S107 F128	D48-G126 WeakPolarHBondContact OD2-CA 3.43Å; D48-G126 PolarHBondContact OD2-N 3.14Å; S107-G126 PolarHBondContact OG-O 3.24Å; G126-F128 PolarHBondContact O-N 3.02Å
127	Q	74.5	Confident	76	Confident	79 Å²	79	40.9 Å²	40.9	37%	0.369	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.1	-168.2	-59.5	-175.7	11.7	0	0	116.5	S107 I125	S107-Q127 WeakPolarHBondContact CB-O 3.46Å; I125-Q127 VanDerWaalsContact C-N 3.28Å; I125-Q127 PolarHBondContact O-N 3.22Å
128	F	76.1	Confident	77.6	Confident	70 Å²	70	37.5 Å²	37.5	31%	0.307	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-22.3	-169.3	-63.5	-47.1	0	0	0	116.6	G126 V130 L383 N384 R387	G126-F128 PolarHBondContact O-N 3.02Å; F128-V130 HydrophobicContact CB-CG2 4.05Å; F128-V130 PolarHBondContact O-N 3.27Å; F128-L383 HydrophobicContact CZ-CB 4.42Å; F128-N384 WeakPolarHBondContact CE2-O 3.42Å; F128-R387 HydrophobicContact CD2-CG 4.43Å; F128-R387 VanDerWaalsContact CD2-NE 3.28Å; F128-R387 HydrophobicContact CE2-CG 3.97Å
129	G	79.9	Confident	79.4	Confident	17 Å²	17	29.1 Å²	29.1	18%	0.175	18%	0.179	C	C	.	.	S	Bend	trans	69.8	24.6	-177.4	0	0	0	0	0	115.9	A105 S106	A105-G129 WeakPolarHBondContact CA-O 3.24Å; A105-G129 PolarHBondContact N-O 3Å; S106-G129 WeakPolarHBondContact O-CA 3.38Å
130	V	84	Confident	81.2	Confident	8 Å²	8	29.6 Å²	29.6	5%	0.048	16%	0.161	C	C	.	.			trans	-128.1	-13.5	175.7	-60.8	0	0	0	0	114.6	I27 I104 F128 F132 Y133 I385	I27-V130 HydrophobicContact CD1-CG1 4.2Å; I27-V130 HydrophobicContact CG2-CB 4.45Å; I104-V130 HydrophobicContact CG2-CG1 4.33Å; F128-V130 HydrophobicContact CB-CG2 4.05Å; F128-V130 PolarHBondContact O-N 3.27Å; V130-F132 VanDerWaalsContact C-N 3.33Å; V130-F132 PolarHBondContact O-N 2.89Å; V130-Y133 PolarHBondContact O-N 3.14Å; V130-I385 HydrophobicContact CG2-CD1 4.36Å; V130-I385 HydrophobicContact CG2-CG1 4.03Å
131	G	86	Confident	83	Confident	9 Å²	9	31.1 Å²	31.1	9%	0.093	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-61.6	-35	-174.3	0	0	0	0	0	114	E41 Y133 S134	E41-G131 WeakPolarHBondContact CB-O 3.36Å; G131-Y133 VanDerWaalsContact C-N 3.32Å; G131-Y133 PolarHBondContact O-N 3.32Å; G131-S134 VanDerWaalsContact O-CB 3.31Å; G131-S134 WeakPolarHBondContact O-CB 3.33Å; G131-S134 PolarHBondContact O-N 3.19Å; G131-S134 PolarHBondContact O-OG 3.42Å
132	F	91.3	Very high	84.7	Confident	21 Å²	21	23.6 Å²	23.6	9%	0.092	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-57.7	-40.6	177.5	172.2	-108.4	0	0	0	113.1	L42 L101 V130 S134 A135 V142 V144 W156 V180	L42-F132 HydrophobicContact CD2-CD2 4.21Å; L101-F132 HydrophobicContact CD1-CZ 4.32Å; L101-F132 HydrophobicContact CD2-CD1 3.99Å; L101-F132 HydrophobicContact CD2-CD2 4.32Å; L101-F132 HydrophobicContact CD2-CE1 4.22Å; L101-F132 HydrophobicContact CD2-CG 4.05Å; L101-F132 HydrophobicContact CD2-CZ 4.49Å; V130-F132 VanDerWaalsContact C-N 3.33Å; V130-F132 PolarHBondContact O-N 2.89Å; F132-S134 PolarHBondContact O-N 3.32Å; F132-S134 VanDerWaalsContact O-N 3.14Å; F132-A135 VanDerWaalsContact O-CB 3.31Å; F132-A135 WeakPolarHBondContact O-CB 3.37Å; F132-A135 PolarHBondContact O-N 3.17Å; F132-A135 VanDerWaalsContact O-N 3.13Å; F132-V142 HydrophobicContact CE2-CG1 4.19Å; F132-V142 HydrophobicContact CZ-CG1 3.96Å; F132-V144 HydrophobicContact CE2-CG2 3.75Å; F132-V144 HydrophobicContact CZ-CG2 3.66Å; F132-W156 AromaticContact CE1-CH2 3.72Å; F132-W156 HydrophobicContact CE1-CH2 3.72Å; F132-W156 HydrophobicContact CE1-CZ2 4.34Å; F132-W156 HydrophobicContact CE1-CZ3 4.02Å; F132-W156 HydrophobicContact CZ-CE3 4.45Å; F132-W156 HydrophobicContact CZ-CH2 4Å; F132-W156 AromaticContact CZ-CZ3 3.8Å; F132-W156 HydrophobicContact CZ-CZ3 3.8Å; F132-V180 HydrophobicContact CE2-CG1 4.4Å
133	Y	90.2	Very high	86.2	Confident	12 Å²	12	23.6 Å²	23.6	5%	0.047	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-69.6	-11.9	-177	-51.3	-60.9	0	0	0	113.6	M24 L101 I104 V130 G131 A135 Y136	M24-Y133 HydrophobicContact CE-CD1 3.69Å; M24-Y133 HydrophobicContact CE-CE1 4.36Å; M24-Y133 HydrophobicContact CE-CG 4.02Å; M24-Y133 HydrophobicContact SD-CD1 3.93Å; M24-Y133 HydrophobicContact SD-CD2 4.39Å; M24-Y133 HydrophobicContact SD-CE1 4.21Å; M24-Y133 HydrophobicContact SD-CG 4.02Å; L101-Y133 PolarHBondContact O-OH 2.78Å; I104-Y133 HydrophobicContact CB-CE2 4.33Å; I104-Y133 HydrophobicContact CG1-CE2 3.92Å; I104-Y133 HydrophobicContact CG2-CE2 4.4Å; V130-Y133 PolarHBondContact O-N 3.14Å; G131-Y133 VanDerWaalsContact C-N 3.32Å; G131-Y133 PolarHBondContact O-N 3.32Å; Y133-A135 PolarHBondContact O-N 2.83Å; Y133-Y136 HydrophobicContact CD1-CE2 4.49Å; Y133-Y136 PolarHBondContact O-N 3.1Å; Y133-Y136 VanDerWaalsContact O-N 3.13Å
134	S	90.5	Very high	87.8	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-60.8	-20.6	170	69.3	0	0	0	0	113.1	I37 G131 F132 Y136 L137	I37-S134 VanDerWaalsContact CD1-CB 3.5Å; G131-S134 VanDerWaalsContact O-CB 3.31Å; G131-S134 WeakPolarHBondContact O-CB 3.33Å; G131-S134 PolarHBondContact O-N 3.19Å; G131-S134 PolarHBondContact O-OG 3.42Å; F132-S134 PolarHBondContact O-N 3.32Å; F132-S134 VanDerWaalsContact O-N 3.14Å; S134-Y136 PolarHBondContact O-N 3.31Å; S134-Y136 VanDerWaalsContact O-N 3.16Å; S134-L137 WeakPolarHBondContact O-CB 3.2Å; S134-L137 WeakPolarHBondContact O-CD1 3.19Å; S134-L137 VanDerWaalsContact O-CG 3.25Å; S134-L137 WeakPolarHBondContact O-CG 3.41Å; S134-L137 PolarHBondContact O-N 3.4Å
135	A	94.1	Very high	88.8	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-51.1	-36.2	170.7	0	0	0	0	0	112.8	F132 Y133 L137 I138 A139 V142 L182	F132-A135 VanDerWaalsContact O-CB 3.31Å; F132-A135 WeakPolarHBondContact O-CB 3.37Å; F132-A135 PolarHBondContact O-N 3.17Å; F132-A135 VanDerWaalsContact O-N 3.13Å; Y133-A135 PolarHBondContact O-N 2.83Å; A135-L137 PolarHBondContact O-N 3.47Å; A135-I138 PolarHBondContact O-N 2.9Å; A135-A139 WeakPolarHBondContact O-CB 3.49Å; A135-A139 PolarHBondContact O-N 2.98Å; A135-V142 HydrophobicContact CB-CG2 3.81Å; A135-L182 HydrophobicContact CB-CD2 3.76Å
136	Y	93.8	Very high	90	Very high	7 Å²	7	22 Å²	22	3%	0.027	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-75.6	-1.4	179.8	-63.1	-75.1	0	0	0	114.6	M24 I28 Y133 S134 I138 A139 V142 S158 A160 K185	M24-Y136 HydrophobicContact CE-CD2 4.28Å; M24-Y136 HydrophobicContact CE-CE2 4.4Å; I28-Y136 HydrophobicContact CD1-CD2 4.46Å; I28-Y136 HydrophobicContact CD1-CG 4.22Å; Y133-Y136 HydrophobicContact CD1-CE2 4.49Å; Y133-Y136 PolarHBondContact O-N 3.1Å; Y133-Y136 VanDerWaalsContact O-N 3.13Å; S134-Y136 PolarHBondContact O-N 3.31Å; S134-Y136 VanDerWaalsContact O-N 3.16Å; Y136-I138 VanDerWaalsContact C-N 3.27Å; Y136-A139 WeakPolarHBondContact CA-O 3.49Å; Y136-V142 HydrophobicContact CD1-CG2 4.07Å; Y136-V142 HydrophobicContact CE1-CB 4.1Å; Y136-V142 HydrophobicContact CE1-CG2 3.62Å; Y136-V142 HydrophobicContact CE2-CG2 4.19Å; Y136-S158 WeakPolarHBondContact CE1-O 3.35Å; Y136-S158 WeakPolarHBondContact OH-CB 3.42Å; Y136-S158 PolarHBondContact OH-O 2.98Å; Y136-A160 HydrophobicContact CD1-CB 3.75Å; Y136-A160 HydrophobicContact CD2-CB 3.94Å; Y136-A160 HydrophobicContact CE1-CB 3.86Å; Y136-A160 HydrophobicContact CE2-CB 4.05Å; Y136-A160 HydrophobicContact CG-CB 3.78Å; Y136-K185 PolarHBondContact O-NZ 3.28Å
137	L	92.2	Very high	91.3	Very high	14 Å²	14	23.8 Å²	23.8	7%	0.073	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-59.1	-43.9	163.8	-71.8	163.1	0	0	0	110.2	I28 Y32 K35 I37 S134 A135 K185	I28-L137 WeakPolarHBondContact O-CD2 3.5Å; Y32-L137 HydrophobicContact CD2-CD1 4.1Å; Y32-L137 HydrophobicContact CG-CD1 4.27Å; K35-L137 HydrophobicContact CG-CB 4.46Å; I37-L137 HydrophobicContact CD1-CD1 3.94Å; I37-L137 HydrophobicContact CG1-CD1 4.16Å; S134-L137 WeakPolarHBondContact O-CB 3.2Å; S134-L137 WeakPolarHBondContact O-CD1 3.19Å; S134-L137 VanDerWaalsContact O-CG 3.25Å; S134-L137 WeakPolarHBondContact O-CG 3.41Å; S134-L137 PolarHBondContact O-N 3.4Å; A135-L137 PolarHBondContact O-N 3.47Å; L137-K185 PolarHBondContact O-NZ 2.72Å
138	I	94.5	Very high	92.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-19.1	-169.3	54.9	81.2	0	0	0	114.2	K35 F38 A135 Y136 L182 L184 K185 Q188 Y191	K35-I138 HydrophobicContact CB-CG2 3.98Å; K35-I138 HydrophobicContact CD-CG2 4.13Å; F38-I138 HydrophobicContact CB-CG1 4.1Å; F38-I138 HydrophobicContact CD1-CD1 4.39Å; F38-I138 HydrophobicContact CD1-CG1 3.68Å; F38-I138 HydrophobicContact CD1-CG2 4.36Å; F38-I138 HydrophobicContact CD2-CD1 3.55Å; F38-I138 HydrophobicContact CD2-CG1 3.66Å; F38-I138 HydrophobicContact CE1-CD1 4.42Å; F38-I138 HydrophobicContact CE1-CG1 3.99Å; F38-I138 HydrophobicContact CE2-CD1 3.61Å; F38-I138 HydrophobicContact CE2-CG1 3.98Å; F38-I138 HydrophobicContact CG-CD1 3.96Å; F38-I138 HydrophobicContact CG-CG1 3.49Å; F38-I138 VanDerWaalsContact CG-CG1 3.49Å; F38-I138 HydrophobicContact CZ-CD1 4.05Å; F38-I138 HydrophobicContact CZ-CG1 4.13Å; A135-I138 PolarHBondContact O-N 2.9Å; Y136-I138 VanDerWaalsContact C-N 3.27Å; I138-L182 HydrophobicContact CD1-CB 4.45Å; I138-L182 HydrophobicContact CD1-CD1 4.06Å; I138-L184 HydrophobicContact CD1-CD2 3.41Å; I138-L184 VanDerWaalsContact CD1-CD2 3.41Å; I138-K185 PolarHBondContact O-N 3.05Å; I138-Q188 HydrophobicContact CB-CB 4.23Å; I138-Q188 HydrophobicContact CB-CG 4.36Å; I138-Q188 HydrophobicContact CG2-CB 4.48Å; I138-Q188 HydrophobicContact CG2-CG 4.33Å; I138-Y191 HydrophobicContact CB-CD2 4.47Å; I138-Y191 HydrophobicContact CG2-CD2 4.06Å; I138-Y191 HydrophobicContact CG2-CE2 3.82Å
139	A	96	Very high	93.1	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.008	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	145	176.4	0	0	0	0	0	112.2	A135 Y136 V142 L182 H183 K185	A135-A139 WeakPolarHBondContact O-CB 3.49Å; A135-A139 PolarHBondContact O-N 2.98Å; Y136-A139 WeakPolarHBondContact CA-O 3.49Å; A139-V142 HydrophobicContact CB-CG2 4.11Å; A139-L182 HydrophobicContact CB-CB 4.19Å; A139-H183 CarbonylContact C-O 3.52Å; A139-H183 WeakPolarHBondContact CA-O 3.24Å; A139-H183 VanDerWaalsContact CB-O 3.3Å; A139-H183 WeakPolarHBondContact CB-O 3.41Å; A139-K185 WeakPolarHBondContact O-CE 3.43Å
140	D	94.6	Very high	93.8	Very high	96 Å²	96	23.9 Å²	23.9	51%	0.513	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-25.1	168	-71.6	-43.7	0	0	0	111.9	S159 H183 K185	D140-S159 VanDerWaalsContact O-CA 3.3Å; D140-S159 WeakPolarHBondContact O-CA 3.33Å; D140-S159 WeakPolarHBondContact O-CB 3.33Å; D140-H183 PolarHBondContact N-O 3.15Å; D140-K185 HydrophobicContact CB-CG 4.49Å; D140-K185 WeakPolarHBondContact OD1-CE 3.45Å; D140-K185 WeakPolarHBondContact OD1-CG 3.35Å; D140-K185 WeakPolarHBondContact OD2-CG 3.4Å
141	R	95.9	Very high	94.3	Very high	87 Å²	87	25.5 Å²	25.5	33%	0.328	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	137.6	-179.8	-176	177.4	71.3	146.8	-9.2	110.6	E157 H183	R141-E157 WeakPolarHBondContact CD-OE1 3.49Å; R141-E157 HydrophobicContact CG-CG 4.27Å; R141-E157 IonicContact CZ-OE1 3.38Å; R141-E157 IonicContact NE-OE1 3.51Å; R141-E157 IonicContact NH1-OE1 2.67Å; R141-E157 PolarHBondContact NH1-OE1 3.09Å; R141-E157 IonicContact NH1-OE2 3.3Å; R141-H183 HydrophobicContact CB-CB 4.08Å; R141-H183 PolarHBondContact NH2-CE1 3.27Å; R141-H183 PolarHBondContact NH2-ND1 3.24Å; R141-H183 WeakPolarHBondContact O-CB 3.44Å; R141-H183 PolarHBondContact O-CD2 2.86Å; R141-H183 PolarHBondContact O-N 3.03Å
142	V	97.1	Very high	94.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.8	176.6	-179.4	0	0	0	0	108.6	F132 A135 Y136 A139 V144 W156 S158 V180 I181 L182	F132-V142 HydrophobicContact CE2-CG1 4.19Å; F132-V142 HydrophobicContact CZ-CG1 3.96Å; A135-V142 HydrophobicContact CB-CG2 3.81Å; Y136-V142 HydrophobicContact CD1-CG2 4.07Å; Y136-V142 HydrophobicContact CE1-CB 4.1Å; Y136-V142 HydrophobicContact CE1-CG2 3.62Å; Y136-V142 HydrophobicContact CE2-CG2 4.19Å; A139-V142 HydrophobicContact CB-CG2 4.11Å; V142-V144 HydrophobicContact CG1-CG2 4.08Å; V142-W156 HydrophobicContact CB-CZ3 4.45Å; V142-W156 HydrophobicContact CG1-CZ3 4.45Å; V142-S158 PolarHBondContact N-O 2.82Å; V142-S158 PolarHBondContact O-N 2.65Å; V142-S158 VanDerWaalsContact O-N 3.08Å; V142-V180 HydrophobicContact CG1-CG1 3.84Å; V142-I181 WeakPolarHBondContact CA-O 3.38Å; V142-L182 HydrophobicContact CG1-CD2 4.16Å; V142-L182 HydrophobicContact CG2-CD2 3.94Å
143	Q	96.9	Very high	95	Very high	30 Å²	30	31 Å²	31	14%	0.14	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.3	167.3	-68.9	170.2	-43.6	0	0	108.7	I155 W156 E157 V180 I181 H183	Q143-I155 HydrophobicContact CB-CD1 4.2Å; Q143-I155 HydrophobicContact CB-CG1 4.44Å; Q143-I155 HydrophobicContact CG-CD1 4.18Å; Q143-W156 CarbonylContact C-O 3.49Å; Q143-W156 VanDerWaalsContact CA-O 3.31Å; Q143-W156 WeakPolarHBondContact CA-O 3.44Å; Q143-E157 HydrophobicContact CG-CB 4.14Å; Q143-E157 HydrophobicContact CG-CG 3.77Å; Q143-E157 WeakPolarHBondContact CG-OE2 3.26Å; Q143-E157 PolarHBondContact NE2-OE2 2.83Å; Q143-V180 CarbonylContact O-C 3.58Å; Q143-V180 WeakPolarHBondContact O-CA 3.13Å; Q143-I181 HydrophobicContact CB-CB 4.26Å; Q143-I181 PolarHBondContact N-O 3.4Å; Q143-I181 PolarHBondContact O-N 3.49Å; Q143-H183 PolarHBondContact OE1-NE2 2.65Å
144	V	97.4	Very high	95.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	103	176.2	-176.8	0	0	0	0	108	M92 L101 F132 V142 W156 T178 V180	M92-V144 HydrophobicContact CE-CG1 4.05Å; L101-V144 HydrophobicContact CD1-CB 4.34Å; L101-V144 HydrophobicContact CD1-CG1 4.13Å; L101-V144 HydrophobicContact CD1-CG2 4.22Å; F132-V144 HydrophobicContact CE2-CG2 3.75Å; F132-V144 HydrophobicContact CZ-CG2 3.66Å; V142-V144 HydrophobicContact CG1-CG2 4.08Å; V144-W156 HydrophobicContact CB-CB 4.31Å; V144-W156 HydrophobicContact CB-CE3 4.25Å; V144-W156 HydrophobicContact CG2-CE3 3.86Å; V144-W156 HydrophobicContact CG2-CZ3 4.29Å; V144-W156 PolarHBondContact N-O 3.37Å; V144-W156 PolarHBondContact O-N 3.47Å; V144-T178 HydrophobicContact CG1-CG2 3.48Å; V144-T178 VanDerWaalsContact CG1-CG2 3.48Å; V144-V180 HydrophobicContact CG1-CG2 4.36Å; V144-V180 HydrophobicContact CG2-CG1 4.37Å; V144-V180 HydrophobicContact CG2-CG2 4.28Å
145	V	97.5	Very high	95.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.8	170.8	-175.1	0	0	0	0	108.2	Q153 Y154 I155 D169 M173 T178 K179	V145-Q153 HydrophobicContact CG1-CG 4.06Å; V145-Y154 WeakPolarHBondContact CA-O 3.47Å; V145-I155 HydrophobicContact CG2-CB 4.17Å; V145-I155 HydrophobicContact CG2-CD1 4.05Å; V145-I155 HydrophobicContact CG2-CG1 3.95Å; V145-D169 HydrophobicContact CG1-CB 4.43Å; V145-D169 WeakPolarHBondContact CG1-OD2 3.36Å; V145-M173 HydrophobicContact CB-SD 4.27Å; V145-M173 HydrophobicContact CG1-CE 4.28Å; V145-M173 HydrophobicContact CG1-CG 3.69Å; V145-M173 HydrophobicContact CG1-SD 3.98Å; V145-T178 CarbonylContact O-C 3.58Å; V145-T178 WeakPolarHBondContact O-CA 3.42Å; V145-T178 WeakPolarHBondContact O-CG2 3.43Å; V145-K179 HydrophobicContact CB-CB 4.32Å; V145-K179 PolarHBondContact N-O 2.95Å; V145-K179 PolarHBondContact O-N 2.99Å
146	T	97.5	Very high	95.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	143.6	-176.2	174	0	0	0	0	111.7	M92 L97 Q153 Y154	M92-T146 WeakPolarHBondContact CA-OG1 3.14Å; M92-T146 HydrophobicContact CB-CG2 4.36Å; M92-T146 PolarHBondContact N-OG1 3.16Å; M92-T146 WeakPolarHBondContact O-CG2 3.04Å; M92-T146 PolarHBondContact O-OG1 3.1Å; L97-T146 HydrophobicContact CD1-CG2 3.66Å; L97-T146 HydrophobicContact CD2-CG2 3.81Å; L97-T146 HydrophobicContact CG-CG2 3.96Å; T146-Q153 WeakPolarHBondContact O-CA 3.21Å; T146-Y154 PolarHBondContact N-O 2.93Å; T146-Y154 PolarHBondContact O-N 3.28Å; T146-Y154 VanDerWaalsContact O-N 3.08Å
147	K	96.7	Very high	95.9	Very high	46 Å²	46	35.4 Å²	35.4	20%	0.2	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	115.7	165.1	-178.3	65	173.2	86.5	0	108.9	D151 Q153 K175 R176 G177	K147-D151 WeakPolarHBondContact CE-O 3.23Å; K147-D151 PolarHBondContact NZ-O 3.39Å; K147-Q153 HydrophobicContact CD-CB 4.03Å; K147-K175 WeakPolarHBondContact CG-O 3.42Å; K147-R176 CarbonylContact O-C 3.58Å; K147-R176 VanDerWaalsContact O-CA 3.32Å; K147-R176 WeakPolarHBondContact O-CA 3.36Å; K147-G177 PolarHBondContact N-O 3.46Å; K147-G177 PolarHBondContact O-N 3.03Å
148	N	95.2	Very high	96	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.037	18%	0.176	C	C	.	.			trans	-87.6	165.4	165.8	-167.4	-70.5	0	0	0	109.2	I90 G91 T93 D150	I90-N148 PolarHBondContact O-ND2 3.1Å; G91-N148 PolarHBondContact O-ND2 3.06Å; T93-N148 HydrophobicContact CG2-CB 4.14Å; N148-D150 VanDerWaalsContact C-N 3.27Å; N148-D150 WeakPolarHBondContact OD1-CB 3.23Å; N148-D150 PolarHBondContact OD1-N 3.47Å; N148-D150 PolarHBondContact OD1-OD2 3.47Å
149	N	94.1	Very high	95.9	Very high	48 Å²	48	39.2 Å²	39.2	26%	0.257	20%	0.203	S	C	.	.	S	Bend	trans	-67.4	-32.7	168.3	-73.7	-3.5	0	0	0	111.4	V63 T66 R176	V63-N149 WeakPolarHBondContact CA-ND2 3.35Å; V63-N149 PolarHBondContact O-ND2 3.42Å; T66-N149 WeakPolarHBondContact CG2-OD1 3.26Å; T66-N149 PolarHBondContact OG1-OD1 2.88Å; N149-R176 VanDerWaalsContact OD1-CD 3.31Å; N149-R176 WeakPolarHBondContact OD1-CD 3.27Å; N149-R176 VanDerWaalsContact OD1-CG 3.28Å; N149-R176 WeakPolarHBondContact OD1-CG 3.22Å
150	D	93.9	Very high	95.5	Very high	113 Å²	113	40.1 Å²	40.1	60%	0.604	21%	0.21	S	C	*	.	S	Bend	trans	-91.9	-0.1	-165.6	-53	-31.8	0	0	0	114.1	K56 N148	K56-D150 IonicContact NZ-OD2 2.77Å; K56-D150 PolarHBondContact NZ-OD2 3.31Å; N148-D150 VanDerWaalsContact C-N 3.27Å; N148-D150 WeakPolarHBondContact OD1-CB 3.23Å; N148-D150 PolarHBondContact OD1-N 3.47Å; N148-D150 PolarHBondContact OD1-OD2 3.47Å
151	D	95.3	Very high	94.8	Very high	42 Å²	42	38.4 Å²	38.4	23%	0.225	22%	0.215	C	C	.	.	S	Bend	trans	-154.4	171.3	-176.5	-163.7	-3.6	0	0	0	110.9	T93 K94 K147 Y154	T93-D151 WeakPolarHBondContact CA-OD2 3.38Å; T93-D151 WeakPolarHBondContact CB-OD2 3.39Å; T93-D151 HydrophobicContact CG2-CB 3.86Å; K94-D151 WeakPolarHBondContact CB-OD2 3.21Å; K94-D151 PolarHBondContact N-OD2 3.2Å; K147-D151 WeakPolarHBondContact CE-O 3.23Å; K147-D151 PolarHBondContact NZ-O 3.39Å; D151-Y154 HydrophobicContact CB-CE2 4.5Å; D151-Y154 VanDerWaalsContact OD1-CE2 3.28Å; D151-Y154 WeakPolarHBondContact OD1-CE2 3.27Å; D151-Y154 PolarHBondContact OD1-OH 3.46Å
152	D	95.5	Very high	94.2	Very high	111 Å²	111	36.2 Å²	36.2	59%	0.594	22%	0.22	S	C	*	.			trans	-71.4	179.1	179.3	-78.2	-39.2	0	0	0	113.9	Y154	D152-Y154 HydrophobicContact CB-CE2 3.91Å; D152-Y154 VanDerWaalsContact O-CD2 3.26Å; D152-Y154 WeakPolarHBondContact O-CD2 3.4Å; D152-Y154 VanDerWaalsContact O-CE2 3.31Å; D152-Y154 WeakPolarHBondContact O-CE2 3.26Å
153	Q	97	Very high	93.8	Very high	35 Å²	35	41.4 Å²	41.4	16%	0.164	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	132.1	173	-172.9	163.9	-52	0	0	110.8	V145 T146 K147 D169 S171	V145-Q153 HydrophobicContact CG1-CG 4.06Å; T146-Q153 WeakPolarHBondContact O-CA 3.21Å; K147-Q153 HydrophobicContact CD-CB 4.03Å; Q153-D169 WeakPolarHBondContact CB-O 3.44Å; Q153-D169 HydrophobicContact CG-CB 4.25Å; Q153-D169 WeakPolarHBondContact CG-O 3.32Å; Q153-D169 PolarHBondContact NE2-OD2 2.84Å; Q153-D169 PolarHBondContact O-N 2.57Å; Q153-D169 VanDerWaalsContact O-N 3.13Å; Q153-S171 PolarHBondContact NE2-O 2.94Å
154	Y	97.3	Very high	93.6	Very high	22 Å²	22	43.6 Å²	43.6	9%	0.086	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	148	178.7	-56.7	-87.4	0	0	0	111.8	K94 V145 T146 D151 D152 I166 A167	K94-Y154 HydrophobicContact CB-CD2 4.2Å; K94-Y154 HydrophobicContact CB-CE1 4.31Å; K94-Y154 HydrophobicContact CB-CE2 3.81Å; K94-Y154 HydrophobicContact CD-CD1 4.35Å; K94-Y154 HydrophobicContact CD-CE1 3.73Å; K94-Y154 HydrophobicContact CG-CE1 4.26Å; V145-Y154 WeakPolarHBondContact CA-O 3.47Å; T146-Y154 PolarHBondContact N-O 2.93Å; T146-Y154 PolarHBondContact O-N 3.28Å; T146-Y154 VanDerWaalsContact O-N 3.08Å; D151-Y154 HydrophobicContact CB-CE2 4.5Å; D151-Y154 VanDerWaalsContact OD1-CE2 3.28Å; D151-Y154 WeakPolarHBondContact OD1-CE2 3.27Å; D151-Y154 PolarHBondContact OD1-OH 3.46Å; D152-Y154 HydrophobicContact CB-CE2 3.91Å; D152-Y154 VanDerWaalsContact O-CD2 3.26Å; D152-Y154 WeakPolarHBondContact O-CD2 3.4Å; D152-Y154 VanDerWaalsContact O-CE2 3.31Å; D152-Y154 WeakPolarHBondContact O-CE2 3.26Å; Y154-I166 HydrophobicContact CD1-CG2 4.23Å; Y154-I166 HydrophobicContact CG-CG2 4.41Å; Y154-A167 CarbonylContact C-O 3.57Å; Y154-A167 VanDerWaalsContact CA-O 3.25Å; Y154-A167 WeakPolarHBondContact CA-O 3.46Å; Y154-A167 WeakPolarHBondContact CB-O 3.45Å
155	I	96.9	Very high	93.5	Very high	29 Å²	29	47.9 Å²	47.9	15%	0.149	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.3	164.3	-172.2	168.2	0	0	0	109.7	Q143 V145 I166 A167 D169	Q143-I155 HydrophobicContact CB-CD1 4.2Å; Q143-I155 HydrophobicContact CB-CG1 4.44Å; Q143-I155 HydrophobicContact CG-CD1 4.18Å; V145-I155 HydrophobicContact CG2-CB 4.17Å; V145-I155 HydrophobicContact CG2-CD1 4.05Å; V145-I155 HydrophobicContact CG2-CG1 3.95Å; I155-I166 VanDerWaalsContact O-CA 3.31Å; I155-I166 WeakPolarHBondContact O-CA 3.35Å; I155-A167 HydrophobicContact CG2-CB 4.03Å; I155-A167 PolarHBondContact N-O 3.38Å; I155-A167 PolarHBondContact O-N 3.02Å; I155-D169 HydrophobicContact CB-CB 3.86Å; I155-D169 HydrophobicContact CG2-CB 3.97Å
156	W	97	Very high	93.5	Very high	6 Å²	6	49.7 Å²	49.7	2%	0.023	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	139.2	165.2	175.3	106.4	0	0	0	108.6	L97 L101 F132 V142 Q143 V144 S158 F164 T165 I166	L97-W156 HydrophobicContact CD1-CB 4.28Å; L97-W156 HydrophobicContact CD2-CB 3.99Å; L97-W156 HydrophobicContact CD2-CG 4.43Å; L101-W156 HydrophobicContact CB-CZ2 4.46Å; L101-W156 HydrophobicContact CD1-CD2 4.44Å; F132-W156 AromaticContact CE1-CH2 3.72Å; F132-W156 HydrophobicContact CE1-CH2 3.72Å; F132-W156 HydrophobicContact CE1-CZ2 4.34Å; F132-W156 HydrophobicContact CE1-CZ3 4.02Å; F132-W156 HydrophobicContact CZ-CE3 4.45Å; F132-W156 HydrophobicContact CZ-CH2 4Å; F132-W156 AromaticContact CZ-CZ3 3.8Å; F132-W156 HydrophobicContact CZ-CZ3 3.8Å; V142-W156 HydrophobicContact CB-CZ3 4.45Å; V142-W156 HydrophobicContact CG1-CZ3 4.45Å; Q143-W156 CarbonylContact C-O 3.49Å; Q143-W156 VanDerWaalsContact CA-O 3.31Å; Q143-W156 WeakPolarHBondContact CA-O 3.44Å; V144-W156 HydrophobicContact CB-CB 4.31Å; V144-W156 HydrophobicContact CB-CE3 4.25Å; V144-W156 HydrophobicContact CG2-CE3 3.86Å; V144-W156 HydrophobicContact CG2-CZ3 4.29Å; V144-W156 PolarHBondContact N-O 3.37Å; V144-W156 PolarHBondContact O-N 3.47Å; W156-S158 VanDerWaalsContact CH2-CB 3.45Å; W156-F164 AromaticContact CD1-CD2 3.56Å; W156-F164 HydrophobicContact CD2-CB 4.5Å; W156-F164 AromaticContact CE2-CG 3.9Å; W156-F164 HydrophobicContact CZ2-CB 3.73Å; W156-F164 HydrophobicContact CZ2-CG 4.14Å; W156-F164 AromaticContact NE1-CD2 3.15Å; W156-F164 AromaticContact NE1-CE2 3.76Å; W156-F164 AromaticContact NE1-CG 3.35Å; W156-F164 VanDerWaalsContact NE1-CG 3.35Å; W156-T165 VanDerWaalsContact CA-O 3.31Å; W156-T165 WeakPolarHBondContact CA-O 3.28Å; W156-I166 HydrophobicContact CB-CG1 4.32Å; W156-I166 HydrophobicContact CG-CG1 4.38Å
157	E	96.2	Very high	93.4	Very high	55 Å²	55	51.7 Å²	51.7	26%	0.257	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	136.9	-179.9	-175.9	170.5	147.9	0	0	112.3	R141 Q143 F164 T165	R141-E157 WeakPolarHBondContact CD-OE1 3.49Å; R141-E157 HydrophobicContact CG-CG 4.27Å; R141-E157 IonicContact CZ-OE1 3.38Å; R141-E157 IonicContact NE-OE1 3.51Å; R141-E157 IonicContact NH1-OE1 2.67Å; R141-E157 PolarHBondContact NH1-OE1 3.09Å; R141-E157 IonicContact NH1-OE2 3.3Å; Q143-E157 HydrophobicContact CG-CB 4.14Å; Q143-E157 HydrophobicContact CG-CG 3.77Å; Q143-E157 WeakPolarHBondContact CG-OE2 3.26Å; Q143-E157 PolarHBondContact NE2-OE2 2.83Å; E157-F164 CarbonylContact O-C 3.57Å; E157-F164 VanDerWaalsContact O-CA 3.3Å; E157-F164 WeakPolarHBondContact O-CA 3.5Å; E157-T165 PolarHBondContact N-O 3.46Å; E157-T165 PolarHBondContact O-N 2.94Å
158	S	94.2	Very high	93.3	Very high	15 Å²	15	54.6 Å²	54.6	11%	0.105	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	151	173	-178.2	0	0	0	0	112.9	Y136 V142 W156 A160 T163	Y136-S158 WeakPolarHBondContact CE1-O 3.35Å; Y136-S158 WeakPolarHBondContact OH-CB 3.42Å; Y136-S158 PolarHBondContact OH-O 2.98Å; V142-S158 PolarHBondContact N-O 2.82Å; V142-S158 PolarHBondContact O-N 2.65Å; V142-S158 VanDerWaalsContact O-N 3.08Å; W156-S158 VanDerWaalsContact CH2-CB 3.45Å; S158-A160 PolarHBondContact OG-N 2.92Å; S158-A160 VanDerWaalsContact OG-N 3.1Å; S158-T163 WeakPolarHBondContact CB-O 3.43Å; S158-T163 PolarHBondContact OG-O 2.92Å
159	S	92	Very high	93.2	Very high	79 Å²	79	55.7 Å²	55.7	55%	0.552	34%	0.342	S	S	*	.			trans	-107.1	25.5	170.3	55	0	0	0	0	112.9	D140 G161	D140-S159 VanDerWaalsContact O-CA 3.3Å; D140-S159 WeakPolarHBondContact O-CA 3.33Å; D140-S159 WeakPolarHBondContact O-CB 3.33Å; S159-G161 PolarHBondContact O-N 3.09Å
160	A	87	Confident	93.1	Very high	20 Å²	20	61.2 Å²	61.2	17%	0.165	37%	0.371	C	S	.	.	S	Bend	trans	58.9	3	-175.1	0	0	0	0	0	116.5	M24 I28 Y136 S158 G162	M24-A160 HydrophobicContact CE-CB 3.73Å; I28-A160 HydrophobicContact CD1-CB 4.04Å; Y136-A160 HydrophobicContact CD1-CB 3.75Å; Y136-A160 HydrophobicContact CD2-CB 3.94Å; Y136-A160 HydrophobicContact CE1-CB 3.86Å; Y136-A160 HydrophobicContact CE2-CB 4.05Å; Y136-A160 HydrophobicContact CG-CB 3.78Å; S158-A160 PolarHBondContact OG-N 2.92Å; S158-A160 VanDerWaalsContact OG-N 3.1Å; A160-G162 PolarHBondContact O-N 3.18Å
161	G	80.8	Confident	92.8	Very high	60 Å²	60	57.7 Å²	57.7	62%	0.619	36%	0.356	S	S	*	.	S	Bend	trans	-69.7	31.8	179.5	0	0	0	0	0	116.2	S159 T163	S159-G161 PolarHBondContact O-N 3.09Å; G161-T163 VanDerWaalsContact C-N 3.32Å; G161-T163 PolarHBondContact O-N 2.97Å
162	G	82.7	Confident	92.5	Very high	41 Å²	41	64.3 Å²	64.3	42%	0.423	39%	0.385	S	S	.	.	S	Bend	trans	81.5	-3.7	178.4	0	0	0	0	0	116	A160	A160-G162 PolarHBondContact O-N 3.18Å
163	T	88.9	Confident	92.2	Very high	108 Å²	108	60.4 Å²	60.4	66%	0.663	36%	0.364	S	S	*	.			trans	-135.9	163.4	178.2	60.3	0	0	0	0	112.1	S158 G161	S158-T163 WeakPolarHBondContact CB-O 3.43Å; S158-T163 PolarHBondContact OG-O 2.92Å; G161-T163 VanDerWaalsContact C-N 3.32Å; G161-T163 PolarHBondContact O-N 2.97Å
164	F	93.4	Very high	91.6	Very high	77 Å²	77	60.6 Å²	60.6	34%	0.338	37%	0.368	S	S	.	.			trans	-143.9	159.2	172.4	63	-94	0	0	0	110	W156 E157 I166	W156-F164 AromaticContact CD1-CD2 3.56Å; W156-F164 HydrophobicContact CD2-CB 4.5Å; W156-F164 AromaticContact CE2-CG 3.9Å; W156-F164 HydrophobicContact CZ2-CB 3.73Å; W156-F164 HydrophobicContact CZ2-CG 4.14Å; W156-F164 AromaticContact NE1-CD2 3.15Å; W156-F164 AromaticContact NE1-CE2 3.76Å; W156-F164 AromaticContact NE1-CG 3.35Å; W156-F164 VanDerWaalsContact NE1-CG 3.35Å; E157-F164 CarbonylContact O-C 3.57Å; E157-F164 VanDerWaalsContact O-CA 3.3Å; E157-F164 WeakPolarHBondContact O-CA 3.5Å; F164-I166 HydrophobicContact CD2-CD1 4.42Å; F164-I166 HydrophobicContact CD2-CG1 4.2Å; F164-I166 HydrophobicContact CE2-CD1 3.98Å; F164-I166 HydrophobicContact CE2-CG1 4.24Å
165	T	95.2	Very high	91.2	Very high	90 Å²	90	66.6 Å²	66.6	55%	0.552	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	157.7	173.8	58.7	0	0	0	0	110.8	W156 E157	W156-T165 VanDerWaalsContact CA-O 3.31Å; W156-T165 WeakPolarHBondContact CA-O 3.28Å; E157-T165 PolarHBondContact N-O 3.46Å; E157-T165 PolarHBondContact O-N 2.94Å
166	I	95.8	Very high	91.1	Very high	40 Å²	40	65.5 Å²	65.5	21%	0.205	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	127.5	169.7	-58.8	172.7	0	0	0	108.6	K94 L97 I98 Y154 I155 W156 F164	K94-I166 HydrophobicContact CG-CG2 4.4Å; L97-I166 HydrophobicContact CB-CD1 3.67Å; L97-I166 HydrophobicContact CD1-CD1 4.28Å; L97-I166 HydrophobicContact CD1-CG2 4.08Å; I98-I166 HydrophobicContact CD1-CD1 4.34Å; I98-I166 HydrophobicContact CG1-CD1 3.53Å; Y154-I166 HydrophobicContact CD1-CG2 4.23Å; Y154-I166 HydrophobicContact CG-CG2 4.41Å; I155-I166 VanDerWaalsContact O-CA 3.31Å; I155-I166 WeakPolarHBondContact O-CA 3.35Å; W156-I166 HydrophobicContact CB-CG1 4.32Å; W156-I166 HydrophobicContact CG-CG1 4.38Å; F164-I166 HydrophobicContact CD2-CD1 4.42Å; F164-I166 HydrophobicContact CD2-CG1 4.2Å; F164-I166 HydrophobicContact CE2-CD1 3.98Å; F164-I166 HydrophobicContact CE2-CG1 4.24Å
167	A	95.9	Very high	91.1	Very high	41 Å²	41	65.2 Å²	65.2	34%	0.339	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157.8	174.7	0	0	0	0	0	110.8	Y154 I155	Y154-A167 CarbonylContact C-O 3.57Å; Y154-A167 VanDerWaalsContact CA-O 3.25Å; Y154-A167 WeakPolarHBondContact CA-O 3.46Å; Y154-A167 WeakPolarHBondContact CB-O 3.45Å; I155-A167 HydrophobicContact CG2-CB 4.03Å; I155-A167 PolarHBondContact N-O 3.38Å; I155-A167 PolarHBondContact O-N 3.02Å
168	P	95.4	Very high	91.2	Very high	107 Å²	107	63 Å²	63	70%	0.695	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	148.3	161.8	-16.3	31	0	0	0	110
169	D	93.3	Very high	91.3	Very high	30 Å²	30	64.2 Å²	64.2	16%	0.16	38%	0.381	C	S	.	.			trans	-136.6	137.8	-178.7	178.8	92.7	0	0	0	110.8	V145 Q153 I155 S171	V145-D169 HydrophobicContact CG1-CB 4.43Å; V145-D169 WeakPolarHBondContact CG1-OD2 3.36Å; Q153-D169 WeakPolarHBondContact CB-O 3.44Å; Q153-D169 HydrophobicContact CG-CB 4.25Å; Q153-D169 WeakPolarHBondContact CG-O 3.32Å; Q153-D169 PolarHBondContact NE2-OD2 2.84Å; Q153-D169 PolarHBondContact O-N 2.57Å; Q153-D169 VanDerWaalsContact O-N 3.13Å; I155-D169 HydrophobicContact CB-CB 3.86Å; I155-D169 HydrophobicContact CG2-CB 3.97Å; D169-S171 VanDerWaalsContact OD2-CB 3.26Å; D169-S171 WeakPolarHBondContact OD2-CB 3.36Å; D169-S171 PolarHBondContact OD2-N 3.18Å; D169-S171 PolarHBondContact OD2-OG 3.19Å
170	D	90.6	Very high	91.6	Very high	165 Å²	165	61.1 Å²	61.1	88%	0.882	36%	0.359	S	S	*	.			trans	-115.6	15.3	-179.5	62.8	-15.1	0	0	0	112.9
171	S	88.9	Confident	92.1	Very high	39 Å²	39	61.3 Å²	61.3	27%	0.273	36%	0.357	S	S	.	.	S	Bend	trans	-72.9	157.9	-178	77.8	0	0	0	0	113.2	Q153 D169 M173	Q153-S171 PolarHBondContact NE2-O 2.94Å; D169-S171 VanDerWaalsContact OD2-CB 3.26Å; D169-S171 WeakPolarHBondContact OD2-CB 3.36Å; D169-S171 PolarHBondContact OD2-N 3.18Å; D169-S171 PolarHBondContact OD2-OG 3.19Å; S171-M173 PolarHBondContact O-N 3.08Å
172	E	89	Confident	92.9	Very high	180 Å²	180	58.5 Å²	58.5	84%	0.841	33%	0.327	S	S	*	.			trans	-63.9	121.7	-179	-168.4	-178.3	177.3	0	0	112	K179	E172-K179 PolarHBondContact O-NZ 2.93Å
173	M	88.9	Confident	93.6	Very high	30 Å²	30	58.4 Å²	58.4	15%	0.148	32%	0.316	C	S	.	.			trans	-145.9	151.5	-175.5	-82	-66.2	-74.9	0	0	110.9	V145 S171 K179	V145-M173 HydrophobicContact CB-SD 4.27Å; V145-M173 HydrophobicContact CG1-CE 4.28Å; V145-M173 HydrophobicContact CG1-CG 3.69Å; V145-M173 HydrophobicContact CG1-SD 3.98Å; S171-M173 PolarHBondContact O-N 3.08Å; M173-K179 HydrophobicContact CE-CB 3.85Å; M173-K179 HydrophobicContact SD-CB 3.39Å; M173-K179 WeakPolarHBondContact SD-CB 3.27Å; M173-K179 HydrophobicContact SD-CD 3.36Å; M173-K179 WeakPolarHBondContact SD-CD 3.29Å; M173-K179 HydrophobicContact SD-CG 4.05Å
174	P	83.3	Confident	94	Very high	39 Å²	39	54.1 Å²	54.1	25%	0.253	29%	0.289	S	S	.	.			trans	-57.4	151.6	157.9	-17.5	30.9	0	0	0	110.3	L86 T88 R176	L86-P174 HydrophobicContact CD1-CG 4.2Å; L86-P174 HydrophobicContact CD2-CG 4.22Å; T88-P174 HydrophobicContact CG2-CB 4.5Å; T88-P174 HydrophobicContact CG2-CG 4.41Å; P174-R176 PolarHBondContact O-N 3.45Å
175	K	89.9	Confident	94.1	Very high	147 Å²	147	52.4 Å²	52.4	64%	0.639	28%	0.281	S	S	*	.	S	Bend	trans	-60.7	-9.1	-177.2	-56.1	179.1	-176	171	0	115	T66 K147	T66-K175 HydrophobicContact CG2-CB 4.33Å; T66-K175 WeakPolarHBondContact O-CB 3.12Å; K147-K175 WeakPolarHBondContact CG-O 3.42Å
176	R	94.8	Very high	94.1	Very high	6 Å²	6	56.8 Å²	56.8	2%	0.023	30%	0.295	C	S	.	.	S	Bend	trans	-159.5	139.8	-178.5	-173.8	-159.3	63.4	-119.3	-10.1	109.2	L53 V63 T66 G67 T88 G89 K147 N149 P174	L53-R176 VanDerWaalsContact CD2-CZ 3.43Å; V63-R176 PolarHBondContact O-NH1 3.4Å; T66-R176 PolarHBondContact OG1-NH1 3.08Å; G67-R176 PolarHBondContact O-NH1 2.83Å; G67-R176 PolarHBondContact O-NH2 3.01Å; T88-R176 PolarHBondContact O-NE 2.9Å; T88-R176 PolarHBondContact O-NH2 3.2Å; G89-R176 WeakPolarHBondContact O-CD 3.49Å; G89-R176 WeakPolarHBondContact O-CG 3.38Å; G89-R176 PolarHBondContact O-NE 3.41Å; K147-R176 CarbonylContact O-C 3.58Å; K147-R176 VanDerWaalsContact O-CA 3.32Å; K147-R176 WeakPolarHBondContact O-CA 3.36Å; N149-R176 VanDerWaalsContact OD1-CD 3.31Å; N149-R176 WeakPolarHBondContact OD1-CD 3.27Å; N149-R176 VanDerWaalsContact OD1-CG 3.28Å; N149-R176 WeakPolarHBondContact OD1-CG 3.22Å; P174-R176 PolarHBondContact O-N 3.45Å
177	G	96.5	Very high	94	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	128.2	-161.7	177.4	0	0	0	0	0	113.5	D87 K147	D87-G177 WeakPolarHBondContact O-CA 3.3Å; K147-G177 PolarHBondContact N-O 3.46Å; K147-G177 PolarHBondContact O-N 3.03Å
178	T	97.8	Very high	94	Very high	8 Å²	8	58.7 Å²	58.7	5%	0.049	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	151.4	-176.9	-23.1	0	0	0	0	111.9	L86 D87 M92 V144 V145	L86-T178 CarbonylContact C-O 3.57Å; L86-T178 VanDerWaalsContact CA-O 3.32Å; L86-T178 WeakPolarHBondContact CA-O 3.47Å; D87-T178 PolarHBondContact N-O 2.95Å; D87-T178 PolarHBondContact O-N 3.05Å; D87-T178 WeakPolarHBondContact OD2-CB 3.27Å; D87-T178 PolarHBondContact OD2-OG1 2.98Å; M92-T178 HydrophobicContact CE-CG2 3.71Å; V144-T178 HydrophobicContact CG1-CG2 3.48Å; V144-T178 VanDerWaalsContact CG1-CG2 3.48Å; V145-T178 CarbonylContact O-C 3.58Å; V145-T178 WeakPolarHBondContact O-CA 3.42Å; V145-T178 WeakPolarHBondContact O-CG2 3.43Å
179	K	97.1	Very high	94	Very high	41 Å²	41	57.5 Å²	57.5	18%	0.178	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	101.8	175.8	176.9	-175.4	178.4	-175.3	0	108.6	T84 L86 V145 E172 M173 I181	T84-K179 HydrophobicContact CG2-CG 3.56Å; L86-K179 HydrophobicContact CD1-CB 4.29Å; L86-K179 HydrophobicContact CD1-CD 4.41Å; L86-K179 HydrophobicContact CD1-CG 4.31Å; V145-K179 HydrophobicContact CB-CB 4.32Å; V145-K179 PolarHBondContact N-O 2.95Å; V145-K179 PolarHBondContact O-N 2.99Å; E172-K179 PolarHBondContact O-NZ 2.93Å; M173-K179 HydrophobicContact CE-CB 3.85Å; M173-K179 HydrophobicContact SD-CB 3.39Å; M173-K179 WeakPolarHBondContact SD-CB 3.27Å; M173-K179 HydrophobicContact SD-CD 3.36Å; M173-K179 WeakPolarHBondContact SD-CD 3.29Å; M173-K179 HydrophobicContact SD-CG 4.05Å; K179-I181 HydrophobicContact CG-CD1 4.46Å; K179-I181 HydrophobicContact CG-CG1 4.09Å
180	V	97.6	Very high	94.1	Very high	15 Å²	15	59.8 Å²	59.8	9%	0.091	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	113.8	176.8	-176.5	0	0	0	0	108.2	L42 T84 V85 F132 V142 Q143 V144 L182	L42-V180 HydrophobicContact CD2-CG1 4.12Å; L42-V180 HydrophobicContact CD2-CG2 4.5Å; T84-V180 CarbonylContact C-O 3.53Å; T84-V180 WeakPolarHBondContact CA-O 3.3Å; V85-V180 PolarHBondContact N-O 2.82Å; V85-V180 PolarHBondContact O-N 2.88Å; F132-V180 HydrophobicContact CE2-CG1 4.4Å; V142-V180 HydrophobicContact CG1-CG1 3.84Å; Q143-V180 CarbonylContact O-C 3.58Å; Q143-V180 WeakPolarHBondContact O-CA 3.13Å; V144-V180 HydrophobicContact CG1-CG2 4.36Å; V144-V180 HydrophobicContact CG2-CG1 4.37Å; V144-V180 HydrophobicContact CG2-CG2 4.28Å; V180-L182 HydrophobicContact CG1-CD2 3.8Å; V180-L182 HydrophobicContact CG1-CG 4.41Å
181	I	97.7	Very high	94.4	Very high	24 Å²	24	52.2 Å²	52.2	12%	0.123	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.5	179.6	-48.8	173.5	0	0	0	108.3	T82 T84 V142 Q143 K179	T82-I181 HydrophobicContact CG2-CG2 4.03Å; T84-I181 HydrophobicContact CG2-CG1 4.26Å; V142-I181 WeakPolarHBondContact CA-O 3.38Å; Q143-I181 HydrophobicContact CB-CB 4.26Å; Q143-I181 PolarHBondContact N-O 3.4Å; Q143-I181 PolarHBondContact O-N 3.49Å; K179-I181 HydrophobicContact CG-CD1 4.46Å; K179-I181 HydrophobicContact CG-CG1 4.09Å
182	L	98.1	Very high	94.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111.3	-177.2	-52.6	172.7	0	0	0	108.6	F38 L42 T82 L83 A135 I138 A139 V142 V180 L184	F38-L182 HydrophobicContact CD2-CD1 3.84Å; F38-L182 HydrophobicContact CE2-CD1 3.6Å; L42-L182 HydrophobicContact CD1-CD1 3.68Å; L42-L182 HydrophobicContact CD1-CD2 4.09Å; L42-L182 HydrophobicContact CD1-CG 4.38Å; T82-L182 CarbonylContact C-O 3.51Å; T82-L182 WeakPolarHBondContact CA-O 3.29Å; L83-L182 HydrophobicContact CB-CB 4.4Å; L83-L182 HydrophobicContact CB-CD1 4.36Å; L83-L182 HydrophobicContact CD2-CD1 4.41Å; L83-L182 HydrophobicContact CG-CD1 4.41Å; L83-L182 PolarHBondContact N-O 2.99Å; L83-L182 VanDerWaalsContact O-CB 3.27Å; L83-L182 WeakPolarHBondContact O-CB 3.33Å; L83-L182 WeakPolarHBondContact O-CG 3.26Å; L83-L182 PolarHBondContact O-N 2.62Å; A135-L182 HydrophobicContact CB-CD2 3.76Å; I138-L182 HydrophobicContact CD1-CB 4.45Å; I138-L182 HydrophobicContact CD1-CD1 4.06Å; A139-L182 HydrophobicContact CB-CB 4.19Å; V142-L182 HydrophobicContact CG1-CD2 4.16Å; V142-L182 HydrophobicContact CG2-CD2 3.94Å; V180-L182 HydrophobicContact CG1-CD2 3.8Å; V180-L182 HydrophobicContact CG1-CG 4.41Å; L182-L184 HydrophobicContact CB-CD2 3.91Å; L182-L184 PolarHBondContact O-N 2.62Å
183	H	98	Very high	94.9	Very high	39 Å²	39	46.8 Å²	46.8	18%	0.181	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	102.9	173.7	-61.9	-107.4	0	0	0	107.6	T82 A139 D140 R141 Q143	T82-H183 HydrophobicContact CG2-CB 4.5Å; A139-H183 CarbonylContact C-O 3.52Å; A139-H183 WeakPolarHBondContact CA-O 3.24Å; A139-H183 VanDerWaalsContact CB-O 3.3Å; A139-H183 WeakPolarHBondContact CB-O 3.41Å; D140-H183 PolarHBondContact N-O 3.15Å; R141-H183 HydrophobicContact CB-CB 4.08Å; R141-H183 PolarHBondContact NH2-CE1 3.27Å; R141-H183 PolarHBondContact NH2-ND1 3.24Å; R141-H183 WeakPolarHBondContact O-CB 3.44Å; R141-H183 PolarHBondContact O-CD2 2.86Å; R141-H183 PolarHBondContact O-N 3.03Å; Q143-H183 PolarHBondContact OE1-NE2 2.65Å
184	L	96.9	Very high	95.1	Very high	18 Å²	18	49 Å²	49	9%	0.094	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	148.5	-167.6	-57.8	-167.3	0	0	0	112.1	G81 L83 I138 L182 L189 L192	G81-L184 WeakPolarHBondContact O-CB 3.15Å; G81-L184 PolarHBondContact O-N 2.94Å; L83-L184 HydrophobicContact CB-CD2 4.46Å; I138-L184 HydrophobicContact CD1-CD2 3.41Å; I138-L184 VanDerWaalsContact CD1-CD2 3.41Å; L182-L184 HydrophobicContact CB-CD2 3.91Å; L182-L184 PolarHBondContact O-N 2.62Å; L184-L189 HydrophobicContact CB-CD2 4.27Å; L184-L192 HydrophobicContact CD1-CD1 4.11Å; L184-L192 HydrophobicContact CD1-CD2 3.57Å; L184-L192 HydrophobicContact CD1-CG 3.59Å; L184-L192 HydrophobicContact CG-CD2 4.46Å
185	K	96.1	Very high	95.6	Very high	41 Å²	41	56 Å²	56	18%	0.178	26%	0.258	C	S	.	.			trans	-63.7	148.1	167.1	-69.2	157.7	-171.8	175.2	0	110.3	Y136 L137 I138 A139 D140 D187 Q188	Y136-K185 PolarHBondContact O-NZ 3.28Å; L137-K185 PolarHBondContact O-NZ 2.72Å; I138-K185 PolarHBondContact O-N 3.05Å; A139-K185 WeakPolarHBondContact O-CE 3.43Å; D140-K185 HydrophobicContact CB-CG 4.49Å; D140-K185 WeakPolarHBondContact OD1-CE 3.45Å; D140-K185 WeakPolarHBondContact OD1-CG 3.35Å; D140-K185 WeakPolarHBondContact OD2-CG 3.4Å; K185-D187 VanDerWaalsContact CB-OD1 3.25Å; K185-D187 WeakPolarHBondContact CB-OD1 3.34Å; K185-D187 PolarHBondContact O-N 3.17Å; K185-Q188 HydrophobicContact CB-CB 4.13Å; K185-Q188 HydrophobicContact CB-CG 3.85Å; K185-Q188 HydrophobicContact CD-CG 4.28Å; K185-Q188 PolarHBondContact O-N 2.84Å
186	E	94.1	Very high	95.8	Very high	182 Å²	182	51.4 Å²	51.4	85%	0.85	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-55.7	-35.4	178.4	-61.4	-176.3	165.9	0	0	112.5	Q188	E186-Q188 VanDerWaalsContact C-N 3.28Å; E186-Q188 PolarHBondContact O-N 2.96Å
187	D	95.1	Very high	95.8	Very high	109 Å²	109	51.2 Å²	51.2	58%	0.583	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-81.2	-0.6	177.9	77.1	-54.7	0	0	0	114.2	K35 K185	K35-D187 IonicContact NZ-OD2 2.65Å; K185-D187 VanDerWaalsContact CB-OD1 3.25Å; K185-D187 WeakPolarHBondContact CB-OD1 3.34Å; K185-D187 PolarHBondContact O-N 3.17Å
188	Q	95.3	Very high	95.7	Very high	13 Å²	13	54.2 Å²	54.2	6%	0.061	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-119.8	11.9	-174.6	-57	-62.4	-64.7	0	0	113.1	I138 K185 E186 E190 Y191	I138-Q188 HydrophobicContact CB-CB 4.23Å; I138-Q188 HydrophobicContact CB-CG 4.36Å; I138-Q188 HydrophobicContact CG2-CB 4.48Å; I138-Q188 HydrophobicContact CG2-CG 4.33Å; K185-Q188 HydrophobicContact CB-CB 4.13Å; K185-Q188 HydrophobicContact CB-CG 3.85Å; K185-Q188 HydrophobicContact CD-CG 4.28Å; K185-Q188 PolarHBondContact O-N 2.84Å; E186-Q188 VanDerWaalsContact C-N 3.28Å; E186-Q188 PolarHBondContact O-N 2.96Å; Q188-E190 PolarHBondContact O-N 2.84Å; Q188-Y191 HydrophobicContact CB-CD2 4.28Å; Q188-Y191 WeakPolarHBondContact O-CD2 3.13Å; Q188-Y191 PolarHBondContact O-N 2.97Å
189	L	95.2	Very high	95.4	Very high	81 Å²	81	57.9 Å²	57.9	42%	0.424	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-62.8	-12.9	177.8	-63.6	174.3	0	0	0	114.1	L184 Y191 L192	L184-L189 HydrophobicContact CB-CD2 4.27Å; L189-Y191 PolarHBondContact O-N 2.94Å; L189-L192 HydrophobicContact CD2-CD1 3.88Å; L189-L192 WeakPolarHBondContact O-CB 3.47Å; L189-L192 PolarHBondContact O-N 2.92Å
190	E	95.7	Very high	95.2	Very high	78 Å²	78	56.2 Å²	56.2	36%	0.364	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-57.9	-26.8	171.3	60.3	153.8	-169.2	0	0	113.3	Q188 L192 E193 K196	Q188-E190 PolarHBondContact O-N 2.84Å; E190-L192 PolarHBondContact O-N 3.27Å; E190-E193 WeakPolarHBondContact O-CB 3.26Å; E190-E193 PolarHBondContact O-N 3.49Å; E190-K196 VanDerWaalsContact CD-CE 3.49Å; E190-K196 WeakPolarHBondContact O-CB 3.44Å; E190-K196 WeakPolarHBondContact OE1-CE 3.49Å; E190-K196 IonicContact OE1-NZ 3.22Å; E190-K196 PolarHBondContact OE1-NZ 2.94Å; E190-K196 WeakPolarHBondContact OE2-CE 3.41Å; E190-K196 IonicContact OE2-NZ 3.77Å; E190-K196 PolarHBondContact OE2-NZ 3.42Å
191	Y	95.6	Very high	95	Very high	7 Å²	7	55.6 Å²	55.6	3%	0.027	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-74.4	0.6	176.2	-63.5	-78.8	0	0	0	113.6	E36 F38 I138 Q188 L189 K196 I197 I200	E36-Y191 HydrophobicContact CB-CE1 4.29Å; F38-Y191 AromaticContact CE1-CD1 3.53Å; F38-Y191 HydrophobicContact CE1-CD1 3.53Å; F38-Y191 AromaticContact CE1-CE1 3.87Å; F38-Y191 HydrophobicContact CE1-CE1 3.87Å; F38-Y191 AromaticContact CE1-CG 3.96Å; F38-Y191 HydrophobicContact CE1-CG 3.96Å; F38-Y191 HydrophobicContact CZ-CD1 4.05Å; F38-Y191 HydrophobicContact CZ-CG 4.2Å; I138-Y191 HydrophobicContact CB-CD2 4.47Å; I138-Y191 HydrophobicContact CG2-CD2 4.06Å; I138-Y191 HydrophobicContact CG2-CE2 3.82Å; Q188-Y191 HydrophobicContact CB-CD2 4.28Å; Q188-Y191 WeakPolarHBondContact O-CD2 3.13Å; Q188-Y191 PolarHBondContact O-N 2.97Å; L189-Y191 PolarHBondContact O-N 2.94Å; Y191-K196 HydrophobicContact CD1-CG 3.93Å; Y191-K196 HydrophobicContact CE1-CD 4.47Å; Y191-K196 HydrophobicContact CE1-CG 4.24Å; Y191-I197 WeakPolarHBondContact O-CD1 3.44Å; Y191-I197 VanDerWaalsContact O-CG1 3.29Å; Y191-I197 WeakPolarHBondContact O-CG1 3.32Å; Y191-I200 HydrophobicContact CD1-CD1 3.62Å; Y191-I200 HydrophobicContact CE1-CD1 3.51Å
192	L	95.5	Very high	94.5	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.026	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-95.7	-0.5	166.4	-52.1	179.3	0	0	0	112.6	P76 K78 T82 L83 L184 L189 E190	P76-L192 HydrophobicContact CB-CB 4.43Å; P76-L192 HydrophobicContact CB-CD2 4.15Å; K78-L192 WeakPolarHBondContact CE-O 3.36Å; K78-L192 HydrophobicContact CG-CB 3.88Å; K78-L192 HydrophobicContact CG-CD1 4.36Å; T82-L192 VanDerWaalsContact O-CD2 3.25Å; T82-L192 WeakPolarHBondContact O-CD2 3.49Å; L83-L192 HydrophobicContact CB-CD2 3.8Å; L184-L192 HydrophobicContact CD1-CD1 4.11Å; L184-L192 HydrophobicContact CD1-CD2 3.57Å; L184-L192 HydrophobicContact CD1-CG 3.59Å; L184-L192 HydrophobicContact CG-CD2 4.46Å; L189-L192 HydrophobicContact CD2-CD1 3.88Å; L189-L192 WeakPolarHBondContact O-CB 3.47Å; L189-L192 PolarHBondContact O-N 2.92Å; E190-L192 PolarHBondContact O-N 3.27Å
193	E	94.2	Very high	93.9	Very high	100 Å²	100	62.3 Å²	62.3	47%	0.467	29%	0.286	S	S	.	.	S	Bend	trans	-78.1	126.3	170.7	-64.8	-166.5	177.2	0	0	111.3	E190 R195 K196 I197	E190-E193 WeakPolarHBondContact O-CB 3.26Å; E190-E193 PolarHBondContact O-N 3.49Å; E193-R195 PolarHBondContact O-N 2.76Å; E193-K196 HydrophobicContact CB-CB 4.07Å; E193-K196 WeakPolarHBondContact O-CB 3.47Å; E193-K196 PolarHBondContact O-N 2.65Å; E193-I197 WeakPolarHBondContact O-CG1 3.47Å; E193-I197 PolarHBondContact O-N 2.94Å
194	E	93	Very high	93.3	Very high	77 Å²	77	61 Å²	61	36%	0.36	28%	0.279	S	S	.	.	H	α-helix	trans	-49.3	-45.5	176.8	-172.6	-166.5	131.6	0	0	112	I197 R198 L214 V216	E194-I197 PolarHBondContact O-N 2.8Å; E194-R198 HydrophobicContact CG-CG 4.49Å; E194-R198 WeakPolarHBondContact O-CB 3.36Å; E194-R198 VanDerWaalsContact O-CG 3.28Å; E194-R198 WeakPolarHBondContact O-CG 3.29Å; E194-R198 PolarHBondContact O-N 2.91Å; E194-R198 IonicContact OE1-CZ 2.67Å; E194-R198 IonicContact OE1-NE 3.12Å; E194-R198 PolarHBondContact OE1-NE 2.64Å; E194-R198 IonicContact OE1-NH2 2.59Å; E194-R198 PolarHBondContact OE1-NH2 3.3Å; E194-L214 HydrophobicContact CG-CD2 3.85Å; E194-V216 HydrophobicContact CG-CG1 3.76Å
195	R	93.8	Very high	92.9	Very high	185 Å²	185	60.2 Å²	60.2	70%	0.698	28%	0.275	S	S	*	.	H	α-helix	trans	-58.5	-50.7	177	179.4	-179.1	174.2	179.2	0.6	112	E193 I197 R198 D199	E193-R195 PolarHBondContact O-N 2.76Å; R195-I197 VanDerWaalsContact C-N 3.32Å; R195-I197 PolarHBondContact O-N 2.84Å; R195-R198 PolarHBondContact O-N 3.13Å; R195-D199 WeakPolarHBondContact CG-OD2 3.38Å; R195-D199 IonicContact NE-OD2 2.57Å; R195-D199 WeakPolarHBondContact O-CB 3.28Å; R195-D199 PolarHBondContact O-N 3.16Å
196	K	93.9	Very high	92.3	Very high	51 Å²	51	59 Å²	59	22%	0.222	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-45.5	-179.7	-173.1	78.9	174.4	-154.1	0	110.5	E190 Y191 E193 D199 I200	E190-K196 VanDerWaalsContact CD-CE 3.49Å; E190-K196 WeakPolarHBondContact O-CB 3.44Å; E190-K196 WeakPolarHBondContact OE1-CE 3.49Å; E190-K196 IonicContact OE1-NZ 3.22Å; E190-K196 PolarHBondContact OE1-NZ 2.94Å; E190-K196 WeakPolarHBondContact OE2-CE 3.41Å; E190-K196 IonicContact OE2-NZ 3.77Å; E190-K196 PolarHBondContact OE2-NZ 3.42Å; Y191-K196 HydrophobicContact CD1-CG 3.93Å; Y191-K196 HydrophobicContact CE1-CD 4.47Å; Y191-K196 HydrophobicContact CE1-CG 4.24Å; E193-K196 HydrophobicContact CB-CB 4.07Å; E193-K196 WeakPolarHBondContact O-CB 3.47Å; E193-K196 PolarHBondContact O-N 2.65Å; K196-D199 PolarHBondContact O-N 3.4Å; K196-I200 HydrophobicContact CD-CD1 4.38Å; K196-I200 HydrophobicContact CG-CD1 3.94Å; K196-I200 WeakPolarHBondContact O-CD1 3.44Å; K196-I200 WeakPolarHBondContact O-CG1 3.37Å; K196-I200 PolarHBondContact O-N 3.09Å; K196-I200 VanDerWaalsContact O-N 3.08Å
197	I	95.1	Very high	91.9	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-47.9	177	-59.3	166	0	0	0	110.9	L39 L74 P76 L83 Y191 E193 E194 R195 D199 I200 V201 L214	L39-I197 HydrophobicContact CD2-CG2 4.16Å; L74-I197 HydrophobicContact CD1-CG2 3.72Å; P76-I197 HydrophobicContact CB-CD1 3.87Å; P76-I197 HydrophobicContact CG-CD1 3.94Å; L83-I197 HydrophobicContact CD1-CD1 4.23Å; Y191-I197 WeakPolarHBondContact O-CD1 3.44Å; Y191-I197 VanDerWaalsContact O-CG1 3.29Å; Y191-I197 WeakPolarHBondContact O-CG1 3.32Å; E193-I197 WeakPolarHBondContact O-CG1 3.47Å; E193-I197 PolarHBondContact O-N 2.94Å; E194-I197 PolarHBondContact O-N 2.8Å; R195-I197 VanDerWaalsContact C-N 3.32Å; R195-I197 PolarHBondContact O-N 2.84Å; I197-D199 PolarHBondContact O-N 3.32Å; I197-I200 PolarHBondContact O-N 3.29Å; I197-V201 HydrophobicContact CG2-CG2 4.35Å; I197-V201 WeakPolarHBondContact O-CG2 3.35Å; I197-V201 PolarHBondContact O-N 3.48Å; I197-L214 HydrophobicContact CB-CD1 4.49Å; I197-L214 HydrophobicContact CB-CD2 4.46Å; I197-L214 HydrophobicContact CD1-CD1 4.12Å; I197-L214 HydrophobicContact CG2-CD1 3.87Å; I197-L214 HydrophobicContact CG2-CD2 4.27Å
198	R	93.8	Very high	91.5	Very high	63 Å²	63	45.9 Å²	45.9	24%	0.238	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-44.6	178	-73.2	-177.1	-169.3	-95.7	16	112.2	E194 R195 V201 K202 L214 E274 L276	E194-R198 HydrophobicContact CG-CG 4.49Å; E194-R198 WeakPolarHBondContact O-CB 3.36Å; E194-R198 VanDerWaalsContact O-CG 3.28Å; E194-R198 WeakPolarHBondContact O-CG 3.29Å; E194-R198 PolarHBondContact O-N 2.91Å; E194-R198 IonicContact OE1-CZ 2.67Å; E194-R198 IonicContact OE1-NE 3.12Å; E194-R198 PolarHBondContact OE1-NE 2.64Å; E194-R198 IonicContact OE1-NH2 2.59Å; E194-R198 PolarHBondContact OE1-NH2 3.3Å; R195-R198 PolarHBondContact O-N 3.13Å; R198-V201 PolarHBondContact O-N 2.98Å; R198-K202 VanDerWaalsContact O-CB 3.22Å; R198-K202 WeakPolarHBondContact O-CB 3.26Å; R198-K202 PolarHBondContact O-N 3.1Å; R198-L214 HydrophobicContact CG-CD2 3.88Å; R198-E274 IonicContact CZ-OE2 2.67Å; R198-E274 VanDerWaalsContact CZ-OE2 3.23Å; R198-E274 IonicContact NH1-OE2 3.27Å; R198-E274 PolarHBondContact NH1-OE2 3.33Å; R198-E274 IonicContact NH2-OE1 2.75Å; R198-E274 PolarHBondContact NH2-OE1 2.74Å; R198-E274 IonicContact NH2-OE2 3.34Å; R198-E274 PolarHBondContact NH2-OE2 3.43Å; R198-L276 HydrophobicContact CG-CD1 4.48Å; R198-L276 HydrophobicContact CG-CD2 3.89Å
199	D	91.5	Very high	91.1	Very high	84 Å²	84	49 Å²	49	45%	0.449	23%	0.225	S	C	.	.	H	α-helix	trans	-64.3	-42.6	-179.7	-74.9	-25.5	0	0	0	111.2	R195 K196 I197 K203	R195-D199 WeakPolarHBondContact CG-OD2 3.38Å; R195-D199 IonicContact NE-OD2 2.57Å; R195-D199 WeakPolarHBondContact O-CB 3.28Å; R195-D199 PolarHBondContact O-N 3.16Å; K196-D199 PolarHBondContact O-N 3.4Å; I197-D199 PolarHBondContact O-N 3.32Å; D199-K203 VanDerWaalsContact O-CB 3.3Å; D199-K203 WeakPolarHBondContact O-CB 3.46Å; D199-K203 PolarHBondContact O-N 3.48Å
200	I	92.8	Very high	90.9	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.036	21%	0.208	C	C	.	.	H	α-helix	trans	-66.7	-45.1	177.5	-64.6	164.1	0	0	0	111.5	E36 L39 Y191 K196 I197 K203 H204	E36-I200 HydrophobicContact CB-CD1 4.03Å; E36-I200 HydrophobicContact CB-CG1 4.12Å; L39-I200 HydrophobicContact CB-CG2 4.03Å; L39-I200 HydrophobicContact CD2-CB 4.3Å; L39-I200 HydrophobicContact CD2-CG2 3.91Å; L39-I200 HydrophobicContact CG-CG2 4.38Å; Y191-I200 HydrophobicContact CD1-CD1 3.62Å; Y191-I200 HydrophobicContact CE1-CD1 3.51Å; K196-I200 HydrophobicContact CD-CD1 4.38Å; K196-I200 HydrophobicContact CG-CD1 3.94Å; K196-I200 WeakPolarHBondContact O-CD1 3.44Å; K196-I200 WeakPolarHBondContact O-CG1 3.37Å; K196-I200 PolarHBondContact O-N 3.09Å; K196-I200 VanDerWaalsContact O-N 3.08Å; I197-I200 PolarHBondContact O-N 3.29Å; I200-K203 PolarHBondContact O-N 3.28Å; I200-H204 PolarHBondContact O-CD2 3.29Å; I200-H204 PolarHBondContact O-N 2.62Å
201	V	92.6	Very high	90.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-66.1	-42.5	177.6	173.7	0	0	0	0	111.1	L39 I43 L74 I197 R198 K203 S205 S206 I212 L276	L39-V201 HydrophobicContact CD2-CG2 3.93Å; I43-V201 HydrophobicContact CD1-CG2 3.91Å; L74-V201 HydrophobicContact CD1-CG2 3.74Å; I197-V201 HydrophobicContact CG2-CG2 4.35Å; I197-V201 WeakPolarHBondContact O-CG2 3.35Å; I197-V201 PolarHBondContact O-N 3.48Å; R198-V201 PolarHBondContact O-N 2.98Å; V201-K203 VanDerWaalsContact C-N 3.27Å; V201-K203 PolarHBondContact O-N 3.12Å; V201-S205 CarbonylContact O-C 3.51Å; V201-S205 WeakPolarHBondContact O-CA 3.45Å; V201-S205 PolarHBondContact O-N 3.15Å; V201-S206 PolarHBondContact O-N 3.14Å; V201-S206 VanDerWaalsContact O-N 3.13Å; V201-I212 HydrophobicContact CG1-CD1 4.13Å; V201-I212 HydrophobicContact CG1-CG2 4.08Å; V201-L276 HydrophobicContact CB-CD1 3.8Å; V201-L276 HydrophobicContact CG1-CB 3.81Å; V201-L276 HydrophobicContact CG1-CD1 3.75Å; V201-L276 HydrophobicContact CG1-CG 4.45Å; V201-L276 HydrophobicContact CG2-CD1 3.94Å
202	K	88.1	Confident	90.8	Very high	102 Å²	102	44 Å²	44	44%	0.443	20%	0.203	S	C	.	.	H	α-helix	trans	-60.4	-38.1	175.3	-177.3	176.6	175.4	-178	0	111.4	R198 S206 N304	R198-K202 VanDerWaalsContact O-CB 3.22Å; R198-K202 WeakPolarHBondContact O-CB 3.26Å; R198-K202 PolarHBondContact O-N 3.1Å; K202-S206 WeakPolarHBondContact CA-OG 3.42Å; K202-S206 PolarHBondContact O-OG 2.82Å; K202-N304 PolarHBondContact NZ-OD1 3.42Å
203	K	85	Confident	90.9	Very high	64 Å²	64	45.7 Å²	45.7	28%	0.278	21%	0.21	S	C	.	.	H	α-helix	trans	-68	-59.9	176.2	-177.6	174.2	176.6	-176.5	0	112.1	E36 D199 I200 V201 L356 D359	E36-K203 WeakPolarHBondContact OE1-CD 3.48Å; E36-K203 VanDerWaalsContact OE1-CE 3.32Å; E36-K203 WeakPolarHBondContact OE1-CE 3.49Å; E36-K203 IonicContact OE1-NZ 3.59Å; E36-K203 PolarHBondContact OE1-NZ 3.36Å; D199-K203 VanDerWaalsContact O-CB 3.3Å; D199-K203 WeakPolarHBondContact O-CB 3.46Å; D199-K203 PolarHBondContact O-N 3.48Å; I200-K203 PolarHBondContact O-N 3.28Å; V201-K203 VanDerWaalsContact C-N 3.27Å; V201-K203 PolarHBondContact O-N 3.12Å; K203-L356 HydrophobicContact CG-CD2 3.64Å; K203-L356 WeakPolarHBondContact O-CD2 3.49Å; K203-D359 WeakPolarHBondContact CE-OD2 3.31Å; K203-D359 IonicContact NZ-OD2 2.64Å
204	H	86.3	Confident	91	Very high	10 Å²	10	40.9 Å²	40.9	5%	0.046	19%	0.188	C	C	.	.	H	α-helix	trans	-94.9	-25.4	-164.4	-68.9	-73.6	0	0	0	115.7	E36 R40 I200	E36-H204 IonicContact OE1-CD2 2.69Å; E36-H204 IonicContact OE1-CE1 2.7Å; E36-H204 IonicContact OE1-NE2 3.9Å; E36-H204 PolarHBondContact OE1-NE2 2.84Å; R40-H204 HydrophobicContact CB-CB 3.91Å; R40-H204 HydrophobicContact CG-CB 3.95Å; I200-H204 PolarHBondContact O-CD2 3.29Å; I200-H204 PolarHBondContact O-N 2.62Å
205	S	87.8	Confident	91.1	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.014	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132	11.5	-163.8	-55.3	0	0	0	0	114.7	V201 F207 I208	V201-S205 CarbonylContact O-C 3.51Å; V201-S205 WeakPolarHBondContact O-CA 3.45Å; V201-S205 PolarHBondContact O-N 3.15Å; S205-F207 PolarHBondContact O-N 3.39Å; S205-I208 PolarHBondContact O-N 3.21Å
206	S	84.6	Confident	90.9	Very high	17 Å²	17	29.7 Å²	29.7	12%	0.119	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-22.4	177.9	-80.1	0	0	0	0	115.2	V201 K202 N277	V201-S206 PolarHBondContact O-N 3.14Å; V201-S206 VanDerWaalsContact O-N 3.13Å; K202-S206 WeakPolarHBondContact CA-OG 3.42Å; K202-S206 PolarHBondContact O-OG 2.82Å; S206-N277 WeakPolarHBondContact O-CB 3.49Å
207	F	85.6	Confident	90.5	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.022	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	13.9	-172.2	-56.7	-68.5	0	0	0	114.1	S205 L279 P281 W283 F298 Y351 R354	S205-F207 PolarHBondContact O-N 3.39Å; F207-L279 HydrophobicContact CE1-CB 4.37Å; F207-L279 HydrophobicContact CE1-CD2 3.61Å; F207-L279 HydrophobicContact CE1-CG 3.83Å; F207-L279 HydrophobicContact CZ-CD2 3.68Å; F207-L279 HydrophobicContact CZ-CG 4.41Å; F207-P281 HydrophobicContact CB-CB 4.22Å; F207-P281 HydrophobicContact CD1-CB 3.8Å; F207-P281 HydrophobicContact CG-CB 4.28Å; F207-W283 HydrophobicContact CB-CH2 4.13Å; F207-W283 HydrophobicContact CB-CZ2 4.45Å; F207-W283 AromaticContact CD1-CH2 3.69Å; F207-W283 HydrophobicContact CD1-CH2 3.69Å; F207-W283 HydrophobicContact CD1-CZ3 4.02Å; F207-W283 AromaticContact CD2-CH2 3.57Å; F207-W283 HydrophobicContact CD2-CH2 3.57Å; F207-W283 HydrophobicContact CD2-CZ3 4.36Å; F207-W283 AromaticContact CE1-CH2 3.88Å; F207-W283 HydrophobicContact CE1-CH2 3.88Å; F207-W283 AromaticContact CE1-CZ3 3.8Å; F207-W283 HydrophobicContact CE1-CZ3 3.8Å; F207-W283 AromaticContact CE2-CH2 3.77Å; F207-W283 HydrophobicContact CE2-CH2 3.77Å; F207-W283 HydrophobicContact CE2-CZ3 4.15Å; F207-W283 AromaticContact CG-CH2 3.51Å; F207-W283 HydrophobicContact CG-CH2 3.51Å; F207-W283 HydrophobicContact CG-CZ2 4.29Å; F207-W283 HydrophobicContact CG-CZ3 4.28Å; F207-W283 AromaticContact CZ-CH2 3.91Å; F207-W283 HydrophobicContact CZ-CH2 3.91Å; F207-W283 AromaticContact CZ-CZ3 3.86Å; F207-W283 HydrophobicContact CZ-CZ3 3.86Å; F207-F298 AromaticContact CE1-CE2 3.74Å; F207-F298 HydrophobicContact CE1-CE2 3.74Å; F207-F298 HydrophobicContact CE1-CZ 4.5Å; F207-F298 AromaticContact CZ-CE2 3.87Å; F207-F298 HydrophobicContact CZ-CE2 3.87Å; F207-F298 HydrophobicContact CZ-CZ 4.23Å; F207-Y351 HydrophobicContact CD2-CD1 4.23Å; F207-Y351 AromaticContact CD2-CE1 3.62Å; F207-Y351 HydrophobicContact CD2-CE1 3.62Å; F207-Y351 AromaticContact CD2-CZ 3.87Å; F207-Y351 HydrophobicContact CE2-CE1 4.01Å; F207-Y351 HydrophobicContact CE2-CE2 4.37Å; F207-Y351 AromaticContact CE2-CZ 3.75Å; F207-R354 HydrophobicContact CB-CB 4.03Å; F207-R354 WeakPolarHBondContact O-CB 3.48Å
208	I	86.9	Confident	89.9	Confident	10 Å²	10	35.6 Å²	35.6	5%	0.051	18%	0.176	C	C	.	.			trans	-62.4	136.5	167.3	-65	-66	0	0	0	109.1	I43 I72 I125 S205 Y210 I212 N277 V355	I43-I208 HydrophobicContact CG2-CG1 4.02Å; I72-I208 HydrophobicContact CD1-CG2 4.3Å; I125-I208 HydrophobicContact CD1-CD1 4.46Å; S205-I208 PolarHBondContact O-N 3.21Å; I208-Y210 VanDerWaalsContact C-N 3.27Å; I208-Y210 PolarHBondContact O-N 3.25Å; I208-I212 HydrophobicContact CB-CD1 4.04Å; I208-I212 HydrophobicContact CG1-CD1 4.29Å; I208-I212 HydrophobicContact CG2-CD1 4.38Å; I208-N277 PolarHBondContact O-ND2 3.49Å; I208-V355 HydrophobicContact CD1-CG2 4.09Å
209	N	85.2	Confident	89.2	Confident	79 Å²	79	38.4 Å²	38.4	42%	0.422	19%	0.192	S	C	.	.	S	Bend	trans	-65.5	-24.7	-171.2	-70.9	-24.8	0	0	0	114.3
210	Y	91.3	Very high	88.7	Confident	15 Å²	15	40.1 Å²	40.1	6%	0.059	19%	0.192	C	C	.	.	S	Bend	trans	-102.9	143.1	-173.3	-58.6	-77.8	0	0	0	111.7	L50 D51 R54 M70 I208 I212 N277	L50-Y210 HydrophobicContact CB-CD1 4.1Å; L50-Y210 HydrophobicContact CB-CD2 3.75Å; L50-Y210 HydrophobicContact CB-CE1 4Å; L50-Y210 HydrophobicContact CB-CE2 3.66Å; L50-Y210 HydrophobicContact CB-CG 4Å; L50-Y210 HydrophobicContact CD1-CD1 4.27Å; L50-Y210 HydrophobicContact CD1-CD2 3.9Å; L50-Y210 HydrophobicContact CD1-CG 3.7Å; L50-Y210 HydrophobicContact CG-CD2 4.46Å; L50-Y210 HydrophobicContact CG-CG 4.4Å; D51-Y210 WeakPolarHBondContact OD1-CE2 3.25Å; D51-Y210 PolarHBondContact OD1-OH 3.16Å; R54-Y210 WeakPolarHBondContact CD-OH 2.96Å; M70-Y210 HydrophobicContact CB-CD1 3.76Å; M70-Y210 HydrophobicContact CB-CE1 3.99Å; M70-Y210 HydrophobicContact SD-CE1 3.96Å; I208-Y210 VanDerWaalsContact C-N 3.27Å; I208-Y210 PolarHBondContact O-N 3.25Å; Y210-I212 PolarHBondContact O-N 3Å; Y210-N277 PolarHBondContact O-ND2 3.11Å
211	P	94.4	Very high	87.7	Confident	45 Å²	45	44.2 Å²	44.2	29%	0.292	22%	0.218	S	C	.	.			trans	-57	120.3	178.6	-25.8	35.2	0	0	0	112.6	M70 Y71 I72 Q275	M70-P211 WeakPolarHBondContact O-CD 3.14Å; Y71-P211 WeakPolarHBondContact CB-O 3.36Å; I72-P211 PolarHBondContact N-O 3.25Å; I72-P211 VanDerWaalsContact O-O 3.14Å; P211-Q275 HydrophobicContact CB-CG 4.34Å
212	I	95.9	Very high	86.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	104.8	170.4	-58.9	165.6	0	0	0	106.9	I43 I72 L74 V201 I208 Y210 Q275 L276 N277	I43-I212 HydrophobicContact CD1-CD1 4.41Å; I43-I212 HydrophobicContact CD1-CG2 4.44Å; I43-I212 HydrophobicContact CG2-CD1 3.74Å; I43-I212 HydrophobicContact CG2-CG1 4.34Å; I72-I212 HydrophobicContact CB-CG1 4.34Å; I72-I212 HydrophobicContact CD1-CG1 4.34Å; I72-I212 CarbonylContact O-C 3.59Å; I72-I212 WeakPolarHBondContact O-CA 3.43Å; L74-I212 HydrophobicContact CD1-CG2 3.95Å; L74-I212 HydrophobicContact CG-CG2 4.22Å; V201-I212 HydrophobicContact CG1-CD1 4.13Å; V201-I212 HydrophobicContact CG1-CG2 4.08Å; I208-I212 HydrophobicContact CB-CD1 4.04Å; I208-I212 HydrophobicContact CG1-CD1 4.29Å; I208-I212 HydrophobicContact CG2-CD1 4.38Å; Y210-I212 PolarHBondContact O-N 3Å; I212-Q275 WeakPolarHBondContact O-CA 3.21Å; I212-L276 PolarHBondContact O-N 3.34Å; I212-N277 HydrophobicContact CD1-CB 4.36Å; I212-N277 PolarHBondContact N-OD1 3.42Å
213	K	96.5	Very high	85.5	Confident	40 Å²	40	48.9 Å²	48.9	17%	0.174	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	137.1	177	-53.4	-175.8	-176.9	174.8	0	110.1	E69 I72 K73 L74 E273 E274	E69-K213 IonicContact OE2-NZ 3.75Å; I72-K213 PolarHBondContact O-N 3.41Å; K73-K213 CarbonylContact C-O 3.59Å; K73-K213 WeakPolarHBondContact CA-O 3.3Å; K73-K213 HydrophobicContact CG-CB 4.35Å; L74-K213 PolarHBondContact N-O 2.72Å; K213-E273 HydrophobicContact CD-CB 4.28Å; K213-E273 WeakPolarHBondContact CD-OE2 3.14Å; K213-E273 IonicContact NZ-OE2 3.95Å; K213-E273 PolarHBondContact NZ-OE2 2.97Å; K213-E274 CarbonylContact C-O 3.54Å; K213-E274 WeakPolarHBondContact CA-O 3.41Å
214	L	96.7	Very high	84.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.1	167.9	-179.7	60.2	0	0	0	109.4	L74 P76 E194 I197 R198 V216 E274 L276	L74-L214 HydrophobicContact CB-CD1 3.81Å; P76-L214 HydrophobicContact CG-CD1 4.33Å; E194-L214 HydrophobicContact CG-CD2 3.85Å; I197-L214 HydrophobicContact CB-CD1 4.49Å; I197-L214 HydrophobicContact CB-CD2 4.46Å; I197-L214 HydrophobicContact CD1-CD1 4.12Å; I197-L214 HydrophobicContact CG2-CD1 3.87Å; I197-L214 HydrophobicContact CG2-CD2 4.27Å; R198-L214 HydrophobicContact CG-CD2 3.88Å; L214-V216 HydrophobicContact CB-CG1 4.48Å; L214-V216 HydrophobicContact CD2-CG1 3.9Å; L214-V216 HydrophobicContact CG-CG1 3.76Å; L214-E274 PolarHBondContact N-O 2.89Å; L214-E274 PolarHBondContact O-N 3.06Å; L214-L276 HydrophobicContact CB-CD1 3.93Å; L214-L276 HydrophobicContact CB-CD2 4.08Å; L214-L276 HydrophobicContact CB-CG 4.02Å; L214-L276 HydrophobicContact CD2-CD1 4.28Å; L214-L276 HydrophobicContact CD2-CD2 4.38Å
215	V	94.7	Very high	82.7	Confident	22 Å²	22	48.4 Å²	48.4	13%	0.133	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	117.6	171.6	-179.2	0	0	0	0	108.3	K73 L74 I75 T271 E272 E273	K73-V215 HydrophobicContact CD-CG2 3.84Å; K73-V215 HydrophobicContact CG-CG2 3.82Å; L74-V215 PolarHBondContact O-N 2.9Å; I75-V215 HydrophobicContact CB-CB 4.48Å; I75-V215 HydrophobicContact CB-CG2 4.32Å; I75-V215 HydrophobicContact CG1-CG2 3.87Å; I75-V215 HydrophobicContact CG2-CB 4.06Å; I75-V215 HydrophobicContact CG2-CG1 4.16Å; I75-V215 HydrophobicContact CG2-CG2 4.15Å; V215-T271 HydrophobicContact CG1-CG2 3.22Å; V215-E272 WeakPolarHBondContact CA-O 3.46Å; V215-E273 HydrophobicContact CG2-CG 4.42Å
216	V	89.9	Confident	81.2	Confident	4 Å²	4	51 Å²	51	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.8	-178.5	-62.2	0	0	0	0	111	E194 L214 K218 T271 E272 E274	E194-V216 HydrophobicContact CG-CG1 3.76Å; L214-V216 HydrophobicContact CB-CG1 4.48Å; L214-V216 HydrophobicContact CD2-CG1 3.9Å; L214-V216 HydrophobicContact CG-CG1 3.76Å; V216-K218 HydrophobicContact CG2-CD 4.43Å; V216-K218 HydrophobicContact CG2-CG 4.26Å; V216-T271 CarbonylContact O-C 3.55Å; V216-T271 WeakPolarHBondContact O-CA 3.41Å; V216-E272 HydrophobicContact CG2-CB 4.11Å; V216-E272 PolarHBondContact N-O 3.37Å; V216-E272 PolarHBondContact O-N 3.45Å; V216-E274 HydrophobicContact CG2-CG 4.29Å
217	N	85.3	Confident	79.8	Confident	125 Å²	125	54.9 Å²	54.9	67%	0.668	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.7	174.8	-71.3	-18.5	0	0	0	109.1	T271	N217-T271 PolarHBondContact OD1-OG1 3.34Å
218	K	82.8	Confident	78.3	Confident	52 Å²	52	59.1 Å²	59.1	23%	0.226	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	158.4	-178.8	-68.2	-176.7	-175	178.3	0	110.7	V216 K269 Y270 E272 E274	V216-K218 HydrophobicContact CG2-CD 4.43Å; V216-K218 HydrophobicContact CG2-CG 4.26Å; K218-K269 WeakPolarHBondContact O-CA 3.23Å; K218-Y270 HydrophobicContact CB-CD1 4.23Å; K218-Y270 HydrophobicContact CB-CE1 3.61Å; K218-Y270 HydrophobicContact CB-CE2 3.97Å; K218-Y270 VanDerWaalsContact CB-CZ 3.47Å; K218-Y270 HydrophobicContact CD-CE2 4.21Å; K218-Y270 PolarHBondContact N-O 3.2Å; K218-Y270 WeakPolarHBondContact O-CD1 3.4Å; K218-Y270 PolarHBondContact O-N 3.44Å; K218-Y270 VanDerWaalsContact O-O 3.1Å; K218-E272 HydrophobicContact CD-CB 4.38Å; K218-E272 VanDerWaalsContact CD-OE2 3.32Å; K218-E272 WeakPolarHBondContact CD-OE2 3.39Å; K218-E272 WeakPolarHBondContact CE-OE2 3.38Å; K218-E272 IonicContact NZ-OE1 2.73Å; K218-E272 PolarHBondContact NZ-OE1 3Å; K218-E272 IonicContact NZ-OE2 3.59Å; K218-E272 PolarHBondContact NZ-OE2 3.17Å; K218-E274 WeakPolarHBondContact CE-OE1 3.49Å; K218-E274 IonicContact NZ-OE1 2.97Å; K218-E274 PolarHBondContact NZ-OE1 2.69Å
219	E	80.4	Confident	76.4	Confident	122 Å²	122	58.8 Å²	58.8	57%	0.57	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.6	174.9	-75.7	-179.1	-177.6	0	0	109.6	T267 K269	E219-T267 HydrophobicContact CB-CG2 3.68Å; E219-T267 HydrophobicContact CG-CG2 3.83Å; E219-K269 HydrophobicContact CG-CG 3.68Å; E219-K269 WeakPolarHBondContact OE1-CE 3.26Å; E219-K269 IonicContact OE1-NZ 3.66Å
220	R	79.3	Confident	74.8	Confident	121 Å²	121	61.9 Å²	61.9	46%	0.457	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.3	170.2	65	-174.9	-172.9	-156.7	-2.2	110.5	K222 E268 Y270	R220-K222 PolarHBondContact O-N 2.69Å; R220-E268 HydrophobicContact CG-CB 3.98Å; R220-E268 IonicContact CZ-OE1 2.74Å; R220-E268 IonicContact CZ-OE2 2.84Å; R220-E268 VanDerWaalsContact CZ-OE2 3.27Å; R220-E268 PolarHBondContact N-O 3.32Å; R220-E268 IonicContact NE-OE1 3.85Å; R220-E268 IonicContact NE-OE2 3.66Å; R220-E268 PolarHBondContact NE-OE2 3.08Å; R220-E268 IonicContact NH2-OE1 3.72Å; R220-E268 PolarHBondContact NH2-OE1 2.68Å; R220-E268 IonicContact NH2-OE2 2.69Å; R220-E268 PolarHBondContact NH2-OE2 2.97Å; R220-E268 PolarHBondContact O-N 3.45Å; R220-Y270 HydrophobicContact CB-CD1 4.34Å; R220-Y270 HydrophobicContact CB-CE1 3.78Å; R220-Y270 HydrophobicContact CG-CD1 3.91Å; R220-Y270 HydrophobicContact CG-CE1 3.84Å
221	T	72.9	Confident	73	Confident	93 Å²	93	68.3 Å²	68.3	57%	0.571	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	108.9	174.3	-46.8	0	0	0	0	109.9	K265 V266	T221-K265 HydrophobicContact CG2-CB 3.63Å; T221-K265 HydrophobicContact CG2-CD 4Å; T221-K265 HydrophobicContact CG2-CG 3.95Å; T221-V266 WeakPolarHBondContact CA-O 3.48Å
222	K	72.7	Confident	71.1	Confident	98 Å²	98	69 Å²	69	43%	0.426	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.1	172.9	-168	-172.7	175.8	-155.2	0	108.8	R220 V224 E228 V266	R220-K222 PolarHBondContact O-N 2.69Å; K222-V224 HydrophobicContact CB-CG2 4.45Å; K222-V224 HydrophobicContact CG-CG2 4.41Å; K222-V224 WeakPolarHBondContact O-CG2 3.39Å; K222-E228 IonicContact NZ-OE2 3.36Å; K222-E228 PolarHBondContact NZ-OE2 3.24Å; K222-V266 PolarHBondContact N-O 3.45Å; K222-V266 PolarHBondContact O-N 3.18Å
223	E	61.1	Low	68.8	Low	102 Å²	102	73.3 Å²	73.3	48%	0.477	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127	164.1	-71	-166.3	165.1	0	0	109	K263 K265	E223-K263 HydrophobicContact CB-CD 4.01Å; E223-K263 HydrophobicContact CG-CD 4.46Å; E223-K263 VanDerWaalsContact OE2-CD 3.24Å; E223-K263 WeakPolarHBondContact OE2-CD 3.16Å; E223-K263 IonicContact OE2-NZ 2.67Å; E223-K263 PolarHBondContact OE2-NZ 2.79Å; E223-K265 HydrophobicContact CG-CG 4.19Å
224	V	58	Low	66.4	Low	13 Å²	13	75 Å²	75	8%	0.079	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144	-177.2	-134.6	0	0	0	0	109.8	K222 E228 K264 V266	K222-V224 HydrophobicContact CB-CG2 4.45Å; K222-V224 HydrophobicContact CG-CG2 4.41Å; K222-V224 WeakPolarHBondContact O-CG2 3.39Å; V224-E228 HydrophobicContact CG1-CB 3.53Å; V224-E228 HydrophobicContact CG1-CG 4.26Å; V224-E228 WeakPolarHBondContact CG1-OE2 3.41Å; V224-K264 PolarHBondContact N-O 3.29Å; V224-K264 PolarHBondContact O-N 3.12Å; V224-V266 HydrophobicContact CG2-CB 3.76Å; V224-V266 HydrophobicContact CG2-CG2 3.59Å
225	S	55.8	Low	64.1	Low	52 Å²	52	83.5 Å²	83.5	36%	0.364	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	148.8	169.8	45.1	0	0	0	0	110.3	D227 E228 S229	S225-D227 PolarHBondContact O-N 3.2Å; S225-E228 PolarHBondContact O-N 2.74Å; S225-S229 PolarHBondContact O-N 3.21Å
226	D	54.8	Low	61.9	Low	56 Å²	56	89.6 Å²	89.6	30%	0.299	44%	0.441	S	S	.	.	H	α-helix	trans	-50.8	-38.1	-177.1	-55.8	-44.3	0	0	0	112.2	E228 S229 E230	D226-E228 PolarHBondContact O-N 2.91Å; D226-E228 VanDerWaalsContact O-N 3.15Å; D226-S229 WeakPolarHBondContact O-CB 3.4Å; D226-S229 PolarHBondContact O-N 3.02Å; D226-S229 PolarHBondContact O-OG 3.23Å; D226-E230 PolarHBondContact O-N 3.33Å
227	D	56.7	Low	59.5	Low	98 Å²	98	94.6 Å²	94.6	52%	0.524	47%	0.472	S	S	.	.	H	α-helix	trans	-58.7	-20.3	177.4	-45.4	-67.8	0	0	0	115.5	S225 K261	S225-D227 PolarHBondContact O-N 3.2Å; D227-K261 IonicContact OD1-NZ 2.67Å; D227-K261 IonicContact OD2-NZ 2.66Å; D227-K261 PolarHBondContact OD2-NZ 2.59Å
228	E	53.4	Low	57.4	Low	95 Å²	95	97.3 Å²	97.3	44%	0.444	48%	0.48	S	S	.	.	H	α-helix	trans	-98.3	-24	170.2	-79.9	-163.9	167	0	0	112.3	K222 V224 S225 D226 K231	K222-E228 IonicContact NZ-OE2 3.36Å; K222-E228 PolarHBondContact NZ-OE2 3.24Å; V224-E228 HydrophobicContact CG1-CB 3.53Å; V224-E228 HydrophobicContact CG1-CG 4.26Å; V224-E228 WeakPolarHBondContact CG1-OE2 3.41Å; S225-E228 PolarHBondContact O-N 2.74Å; D226-E228 PolarHBondContact O-N 2.91Å; D226-E228 VanDerWaalsContact O-N 3.15Å; E228-K231 PolarHBondContact O-N 3.05Å
229	S	47.2	Very low	55.3	Low	3 Å²	3	103.4 Å²	103.4	2%	0.021	51%	0.51	C	S	.	.	H	α-helix	trans	-67.5	-38.5	-175.7	72.8	0	0	0	0	113.1	S225 D226 K231 V232 E233 K264	S225-S229 PolarHBondContact O-N 3.21Å; D226-S229 WeakPolarHBondContact O-CB 3.4Å; D226-S229 PolarHBondContact O-N 3.02Å; D226-S229 PolarHBondContact O-OG 3.23Å; S229-K231 PolarHBondContact O-N 3.21Å; S229-V232 PolarHBondContact O-N 2.91Å; S229-E233 PolarHBondContact O-N 3.32Å; S229-K264 PolarHBondContact OG-NZ 2.64Å
230	E	50.6	Low	53.3	Low	143 Å²	143	103.3 Å²	103.3	67%	0.668	52%	0.522	S	S	*	.	H	α-helix	trans	-59.6	-31.5	177.2	-64	-175.1	159.6	0	0	111.9	D226 V232 S234	D226-E230 PolarHBondContact O-N 3.33Å; E230-V232 VanDerWaalsContact C-N 3.33Å; E230-V232 PolarHBondContact O-N 3.33Å; E230-S234 WeakPolarHBondContact O-CB 3.26Å; E230-S234 PolarHBondContact O-N 2.94Å; E230-S234 PolarHBondContact O-OG 2.84Å
231	K	54.2	Low	51.2	Low	151 Å²	151	105.3 Å²	105.3	66%	0.657	54%	0.542	S	S	*	.	H	α-helix	trans	-77.7	-14.4	177.8	-68.6	177.4	-179.6	166.2	0	114.5	E228 S229	E228-K231 PolarHBondContact O-N 3.05Å; S229-K231 PolarHBondContact O-N 3.21Å
232	V	53.6	Low	49.6	Very low	60 Å²	60	108.1 Å²	108.1	36%	0.364	55%	0.554	S	S	.	*	H	α-helix	trans	-91	-50.8	172.7	-177.7	0	0	0	0	108.5	S229 E230 S234 K235 V266	S229-V232 PolarHBondContact O-N 2.91Å; E230-V232 VanDerWaalsContact C-N 3.33Å; E230-V232 PolarHBondContact O-N 3.33Å; V232-S234 VanDerWaalsContact C-N 3.29Å; V232-S234 PolarHBondContact O-N 3.26Å; V232-K235 PolarHBondContact O-N 3.43Å; V232-V266 HydrophobicContact CG1-CG1 4.39Å
233	E	48.1	Very low	48.4	Very low	90 Å²	90	113.1 Å²	113.1	42%	0.421	58%	0.575	S	S	.	*	H	α-helix	trans	-57.8	-40.7	177.3	-71.7	168.6	-170.4	0	0	111.1	S229 K235 E236 T237 K264	S229-E233 PolarHBondContact O-N 3.32Å; E233-K235 PolarHBondContact O-N 2.89Å; E233-E236 PolarHBondContact O-N 2.77Å; E233-E236 VanDerWaalsContact O-N 3.13Å; E233-T237 WeakPolarHBondContact O-CG2 3.1Å; E233-T237 PolarHBondContact O-N 3.42Å; E233-T237 PolarHBondContact O-OG1 3.08Å; E233-K264 IonicContact OE1-NZ 2.78Å; E233-K264 PolarHBondContact OE1-NZ 3.2Å; E233-K264 IonicContact OE2-NZ 3.69Å; E233-K264 PolarHBondContact OE2-NZ 3.2Å
234	S	47.2	Very low	47.4	Very low	76 Å²	76	114 Å²	114	53%	0.531	59%	0.59	S	S	.	*	H	α-helix	trans	-68.1	2.6	176.3	81.4	0	0	0	0	115.8	E230 V232	E230-S234 WeakPolarHBondContact O-CB 3.26Å; E230-S234 PolarHBondContact O-N 2.94Å; E230-S234 PolarHBondContact O-OG 2.84Å; V232-S234 VanDerWaalsContact C-N 3.29Å; V232-S234 PolarHBondContact O-N 3.26Å
235	K	48.4	Very low	46.4	Very low	177 Å²	177	120.9 Å²	120.9	77%	0.77	62%	0.619	S	S	*	*	H	α-helix	trans	-110.2	-16.2	172.5	-80.4	-168.5	169.3	-166.5	0	113.6	V232 E233	V232-K235 PolarHBondContact O-N 3.43Å; E233-K235 PolarHBondContact O-N 2.89Å
236	E	48.5	Very low	45.8	Very low	150 Å²	150	125.2 Å²	125.2	70%	0.701	64%	0.643	S	S	*	*	H	α-helix	trans	-97.8	-11.4	-179.8	-63	-176	154.6	0	0	111.7	E233	E233-E236 PolarHBondContact O-N 2.77Å; E233-E236 VanDerWaalsContact O-N 3.13Å
237	T	39.5	Very low	44.8	Very low	110 Å²	110	128.7 Å²	128.7	68%	0.675	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	9.6	-176.5	52.1	0	0	0	0	116.3	E233	E233-T237 WeakPolarHBondContact O-CG2 3.1Å; E233-T237 PolarHBondContact O-N 3.42Å; E233-T237 PolarHBondContact O-OG1 3.08Å
238	E	40.1	Very low	44.1	Very low	181 Å²	181	131 Å²	131	85%	0.846	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-7.8	174.6	-68.8	-165.1	143	0	0	113.8
239	E	39.6	Very low	43.4	Very low	181 Å²	181	132.5 Å²	132.5	85%	0.846	68%	0.68	S	S	*	*	S	Bend	trans	-134.5	72.5	-179.7	-66.8	-165.9	147.8	0	0	114.4
240	S	37.3	Very low	43	Very low	119 Å²	119	138.6 Å²	138.6	83%	0.832	71%	0.713	S	S	*	*			trans	174	130.3	137.4	36.2	0	0	0	0	113.9
241	D	35.6	Very low	42.4	Very low	164 Å²	164	140.2 Å²	140.2	88%	0.877	72%	0.72	S	S	*	*			trans	-90.1	173.1	164.5	-100	-48	0	0	0	111.6
242	D	39.6	Very low	41.7	Very low	151 Å²	151	139.9 Å²	139.9	81%	0.807	73%	0.725	S	S	*	*			trans	68.1	84.2	170.6	-83	-27.8	0	0	0	119.1
243	K	46.9	Very low	41	Very low	203 Å²	203	145.7 Å²	145.7	88%	0.883	75%	0.749	S	S	*	*				-161.6	146.4	121.9	-104.8	147.8	-167.9	165	0	113.5
244	P	41	Very low	40.5	Very low	121 Å²	121	150.2 Å²	150.2	79%	0.786	77%	0.77	S	S	*	*			trans	-84.1	155.5	-172.5	33.7	-36.3	0	0	0	114.3
245	K	37.3	Very low	40	Very low	157 Å²	157	154.1 Å²	154.1	68%	0.683	79%	0.785	S	S	*	*			trans	-63.1	152.7	172.6	-90.7	-176.3	153.3	-163.4	0	113.4	E247	K245-E247 WeakPolarHBondContact CD-OE2 3.05Å; K245-E247 WeakPolarHBondContact CE-OE1 3.48Å; K245-E247 WeakPolarHBondContact CE-OE2 3.23Å; K245-E247 IonicContact NZ-OE1 2.67Å; K245-E247 PolarHBondContact NZ-OE1 3.2Å; K245-E247 IonicContact NZ-OE2 2.67Å; K245-E247 PolarHBondContact NZ-OE2 3.31Å
246	V	43	Very low	39.5	Very low	143 Å²	143	153.3 Å²	153.3	87%	0.867	78%	0.784	S	S	*	*			trans	-126.1	121	149	179.9	0	0	0	0	107.1
247	E	33.8	Very low	38.9	Very low	129 Å²	129	151.6 Å²	151.6	60%	0.603	78%	0.78	S	S	*	*			trans	-123.9	-178.9	163.8	-76.8	167.6	152.6	0	0	106.7	K245	K245-E247 WeakPolarHBondContact CD-OE2 3.05Å; K245-E247 WeakPolarHBondContact CE-OE1 3.48Å; K245-E247 WeakPolarHBondContact CE-OE2 3.23Å; K245-E247 IonicContact NZ-OE1 2.67Å; K245-E247 PolarHBondContact NZ-OE1 3.2Å; K245-E247 IonicContact NZ-OE2 2.67Å; K245-E247 PolarHBondContact NZ-OE2 3.31Å
248	D	40.2	Very low	38.6	Very low	146 Å²	146	155 Å²	155	78%	0.781	79%	0.785	S	S	*	*			trans	89.5	127.7	-173.9	-63.3	-4	0	0	0	114.9
249	L	39.4	Very low	38.3	Very low	128 Å²	128	156.1 Å²	156.1	67%	0.67	79%	0.79	S	S	*	*			cis	-153.9	148.3	-3.4	-86.8	143.3	0	0	0	109.7
250	D	39.8	Very low	38.3	Very low	131 Å²	131	156.8 Å²	156.8	70%	0.701	79%	0.79	S	S	*	*			trans	55.8	164.9	134.2	-56.6	-4.1	0	0	0	121
251	E	37.6	Very low	38.5	Very low	176 Å²	176	158.1 Å²	158.1	82%	0.822	78%	0.781	S	S	*	*			cis	-159	155.3	-2.6	-120.1	174.9	177.2	0	0	103.7
252	D	38.9	Very low	38.8	Very low	144 Å²	144	158.7 Å²	158.7	77%	0.77	78%	0.776	S	S	*	*			cis	-163.2	-150.5	-10.4	-164.4	0.8	0	0	0	108.3
253	E	39.4	Very low	39.1	Very low	182 Å²	182	157.7 Å²	157.7	85%	0.85	76%	0.764	S	S	*	*			trans	86.9	87.8	164.6	-62.3	-164.4	168.6	0	0	118.8
254	E	37.3	Very low	39.4	Very low	185 Å²	185	151.8 Å²	151.8	86%	0.864	74%	0.738	S	S	*	*			trans	-10.9	132.5	147.5	-49.5	-176.5	135.2	0	0	118.8
255	D	37.5	Very low	40.4	Very low	159 Å²	159	153 Å²	153	85%	0.85	73%	0.731	S	S	*	*				-161.2	169.7	124.5	-133.6	-22.6	0	0	0	114.7
256	E	36.3	Very low	41.8	Very low	159 Å²	159	147.3 Å²	147.3	74%	0.743	71%	0.71	S	S	*	*			trans	-64.2	159.8	-157.1	-54.3	-171.6	155.5	0	0	121.5
257	N	35.9	Very low	43.1	Very low	115 Å²	115	144.1 Å²	144.1	62%	0.615	69%	0.691	S	S	*	*			trans	84	114.8	136.2	-99.9	-65.2	0	0	0	121.8
258	K	34.6	Very low	45.1	Very low	182 Å²	182	141.3 Å²	141.3	79%	0.791	68%	0.678	S	S	*	*			trans	78.9	113.9	149	-68.4	168	-173.6	167.5	0	120.4	K260	K258-K260 PolarHBondContact O-N 3.25Å
259	E	33.4	Very low	47	Very low	204 Å²	204	142.1 Å²	142.1	95%	0.953	67%	0.674	S	S	*	*			trans	-24.9	104.2	162.1	-59.1	174.3	120	0	0	115.6
260	K	39	Very low	49.1	Very low	195 Å²	195	139.5 Å²	139.5	85%	0.848	66%	0.656	S	S	*	*			trans	-110	109.1	149.6	-75.3	176.3	179.8	168.1	0	107.4	K258 K262	K258-K260 PolarHBondContact O-N 3.25Å; K260-K262 PolarHBondContact O-N 3.42Å; K260-K262 VanDerWaalsContact O-N 3.13Å
261	K	41.9	Very low	51.2	Low	146 Å²	146	137.4 Å²	137.4	64%	0.635	65%	0.648	S	S	*	*			trans	-50.3	123.1	165.2	-82.7	-160	168.8	-160.3	0	107.5	D227	D227-K261 IonicContact OD1-NZ 2.67Å; D227-K261 IonicContact OD2-NZ 2.66Å; D227-K261 PolarHBondContact OD2-NZ 2.59Å
262	K	42.5	Very low	53.7	Low	176 Å²	176	132.4 Å²	132.4	77%	0.765	62%	0.624	S	S	*	*			trans	-64.2	155.1	166.7	-72.2	179	179	174.8	0	107.2	K260	K260-K262 PolarHBondContact O-N 3.42Å; K260-K262 VanDerWaalsContact O-N 3.13Å
263	K	45.8	Very low	56.3	Low	131 Å²	131	129.7 Å²	129.7	57%	0.57	61%	0.607	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.1	123.3	168.8	-62.4	-171.4	-168.1	178.7	0	107	E223	E223-K263 HydrophobicContact CB-CD 4.01Å; E223-K263 HydrophobicContact CG-CD 4.46Å; E223-K263 VanDerWaalsContact OE2-CD 3.24Å; E223-K263 WeakPolarHBondContact OE2-CD 3.16Å; E223-K263 IonicContact OE2-NZ 2.67Å; E223-K263 PolarHBondContact OE2-NZ 2.79Å
264	K	52.8	Low	58.8	Low	78 Å²	78	122.9 Å²	122.9	34%	0.339	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.8	147	165	-74.3	-176.8	-174.6	169.4	0	109	V224 S229 E233	V224-K264 PolarHBondContact N-O 3.29Å; V224-K264 PolarHBondContact O-N 3.12Å; S229-K264 PolarHBondContact OG-NZ 2.64Å; E233-K264 IonicContact OE1-NZ 2.78Å; E233-K264 PolarHBondContact OE1-NZ 3.2Å; E233-K264 IonicContact OE2-NZ 3.69Å; E233-K264 PolarHBondContact OE2-NZ 3.2Å
265	K	61.4	Low	61.5	Low	146 Å²	146	117.7 Å²	117.7	64%	0.635	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.1	115.2	170.5	-80.9	-177	177.5	-174.4	0	107.4	T221 E223	T221-K265 HydrophobicContact CG2-CB 3.63Å; T221-K265 HydrophobicContact CG2-CD 4Å; T221-K265 HydrophobicContact CG2-CG 3.95Å; E223-K265 HydrophobicContact CG-CG 4.19Å
266	V	67.1	Low	64	Low	39 Å²	39	111.9 Å²	111.9	24%	0.236	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.8	178.9	178.1	0	0	0	0	108.3	T221 K222 V224 V232	T221-V266 WeakPolarHBondContact CA-O 3.48Å; K222-V266 PolarHBondContact N-O 3.45Å; K222-V266 PolarHBondContact O-N 3.18Å; V224-V266 HydrophobicContact CG2-CB 3.76Å; V224-V266 HydrophobicContact CG2-CG2 3.59Å; V232-V266 HydrophobicContact CG1-CG1 4.39Å
267	T	71.1	Confident	66.6	Low	75 Å²	75	104.9 Å²	104.9	46%	0.46	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	110.5	177.4	-61	0	0	0	0	109.4	E219	E219-T267 HydrophobicContact CB-CG2 3.68Å; E219-T267 HydrophobicContact CG-CG2 3.83Å
268	E	75.9	Confident	68.9	Low	71 Å²	71	106.4 Å²	106.4	33%	0.332	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	116.9	179.4	-173.5	-175.7	177.3	0	0	109.2	R220	R220-E268 HydrophobicContact CG-CB 3.98Å; R220-E268 IonicContact CZ-OE1 2.74Å; R220-E268 IonicContact CZ-OE2 2.84Å; R220-E268 VanDerWaalsContact CZ-OE2 3.27Å; R220-E268 PolarHBondContact N-O 3.32Å; R220-E268 IonicContact NE-OE1 3.85Å; R220-E268 IonicContact NE-OE2 3.66Å; R220-E268 PolarHBondContact NE-OE2 3.08Å; R220-E268 IonicContact NH2-OE1 3.72Å; R220-E268 PolarHBondContact NH2-OE1 2.68Å; R220-E268 IonicContact NH2-OE2 2.69Å; R220-E268 PolarHBondContact NH2-OE2 2.97Å; R220-E268 PolarHBondContact O-N 3.45Å
269	K	79.2	Confident	71.2	Confident	163 Å²	163	99.8 Å²	99.8	71%	0.709	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	132.1	170.2	-76.7	171.6	177.5	171.3	0	109.7	K218 E219	K218-K269 WeakPolarHBondContact O-CA 3.23Å; E219-K269 HydrophobicContact CG-CG 3.68Å; E219-K269 WeakPolarHBondContact OE1-CE 3.26Å; E219-K269 IonicContact OE1-NZ 3.66Å
270	Y	83.9	Confident	73.6	Confident	73 Å²	73	97.3 Å²	97.3	29%	0.286	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	157.7	175.8	69.2	-77.5	0	0	0	110.4	K218 R220 E272	K218-Y270 HydrophobicContact CB-CD1 4.23Å; K218-Y270 HydrophobicContact CB-CE1 3.61Å; K218-Y270 HydrophobicContact CB-CE2 3.97Å; K218-Y270 VanDerWaalsContact CB-CZ 3.47Å; K218-Y270 HydrophobicContact CD-CE2 4.21Å; K218-Y270 PolarHBondContact N-O 3.2Å; K218-Y270 WeakPolarHBondContact O-CD1 3.4Å; K218-Y270 PolarHBondContact O-N 3.44Å; K218-Y270 VanDerWaalsContact O-O 3.1Å; R220-Y270 HydrophobicContact CB-CD1 4.34Å; R220-Y270 HydrophobicContact CB-CE1 3.78Å; R220-Y270 HydrophobicContact CG-CD1 3.91Å; R220-Y270 HydrophobicContact CG-CE1 3.84Å; Y270-E272 HydrophobicContact CE2-CB 4.4Å
271	T	83.7	Confident	76	Confident	86 Å²	86	88.8 Å²	88.8	53%	0.528	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.4	-179.8	-55.9	0	0	0	0	109.9	V215 V216 N217	V215-T271 HydrophobicContact CG1-CG2 3.22Å; V216-T271 CarbonylContact O-C 3.55Å; V216-T271 WeakPolarHBondContact O-CA 3.41Å; N217-T271 PolarHBondContact OD1-OG1 3.34Å
272	E	90.9	Very high	78.4	Confident	71 Å²	71	82.2 Å²	82.2	33%	0.332	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.9	-179.5	-166.1	-176.8	128	0	0	110.9	V215 V216 K218 Y270	V215-E272 WeakPolarHBondContact CA-O 3.46Å; V216-E272 HydrophobicContact CG2-CB 4.11Å; V216-E272 PolarHBondContact N-O 3.37Å; V216-E272 PolarHBondContact O-N 3.45Å; K218-E272 HydrophobicContact CD-CB 4.38Å; K218-E272 VanDerWaalsContact CD-OE2 3.32Å; K218-E272 WeakPolarHBondContact CD-OE2 3.39Å; K218-E272 WeakPolarHBondContact CE-OE2 3.38Å; K218-E272 IonicContact NZ-OE1 2.73Å; K218-E272 PolarHBondContact NZ-OE1 3Å; K218-E272 IonicContact NZ-OE2 3.59Å; K218-E272 PolarHBondContact NZ-OE2 3.17Å; Y270-E272 HydrophobicContact CE2-CB 4.4Å
273	E	92.6	Very high	80.8	Confident	87 Å²	87	74 Å²	74	41%	0.407	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	104.7	173	-69.8	-173.1	-171.6	0	0	110.7	K73 K213 V215	K73-E273 WeakPolarHBondContact CE-OE1 3.46Å; K73-E273 IonicContact NZ-OE1 3.87Å; K73-E273 PolarHBondContact NZ-OE1 2.97Å; K73-E273 IonicContact NZ-OE2 2.82Å; K213-E273 HydrophobicContact CD-CB 4.28Å; K213-E273 WeakPolarHBondContact CD-OE2 3.14Å; K213-E273 IonicContact NZ-OE2 3.95Å; K213-E273 PolarHBondContact NZ-OE2 2.97Å; V215-E273 HydrophobicContact CG2-CG 4.42Å
274	E	92.6	Very high	82.9	Confident	39 Å²	39	70.7 Å²	70.7	18%	0.182	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.7	177.4	-78	-167.9	-147	0	0	112.7	R198 K213 L214 V216 K218 L276	R198-E274 IonicContact CZ-OE2 2.67Å; R198-E274 VanDerWaalsContact CZ-OE2 3.23Å; R198-E274 IonicContact NH1-OE2 3.27Å; R198-E274 PolarHBondContact NH1-OE2 3.33Å; R198-E274 IonicContact NH2-OE1 2.75Å; R198-E274 PolarHBondContact NH2-OE1 2.74Å; R198-E274 IonicContact NH2-OE2 3.34Å; R198-E274 PolarHBondContact NH2-OE2 3.43Å; K213-E274 CarbonylContact C-O 3.54Å; K213-E274 WeakPolarHBondContact CA-O 3.41Å; L214-E274 PolarHBondContact N-O 2.89Å; L214-E274 PolarHBondContact O-N 3.06Å; V216-E274 HydrophobicContact CG2-CG 4.29Å; K218-E274 WeakPolarHBondContact CE-OE1 3.49Å; K218-E274 IonicContact NZ-OE1 2.97Å; K218-E274 PolarHBondContact NZ-OE1 2.69Å; E274-L276 PolarHBondContact O-N 3.16Å
275	Q	92.9	Very high	84.8	Confident	77 Å²	77	70.7 Å²	70.7	36%	0.36	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.1	169.2	-177	-179.6	-6	0	0	111.2	P211 I212 N277 K278	P211-Q275 HydrophobicContact CB-CG 4.34Å; I212-Q275 WeakPolarHBondContact O-CA 3.21Å; Q275-N277 PolarHBondContact NE2-O 2.89Å; Q275-K278 HydrophobicContact CB-CG 4.42Å; Q275-K278 HydrophobicContact CG-CG 4.17Å; Q275-K278 VanDerWaalsContact O-CE 3.23Å; Q275-K278 WeakPolarHBondContact O-CE 3.17Å
276	L	91.6	Very high	86.2	Confident	36 Å²	36	66.9 Å²	66.9	19%	0.188	32%	0.324	C	S	.	.	S	Bend	trans	-89.1	-48.3	-180	-58.9	-172.9	0	0	0	112.7	R198 V201 I212 L214 E274 K278	R198-L276 HydrophobicContact CG-CD1 4.48Å; R198-L276 HydrophobicContact CG-CD2 3.89Å; V201-L276 HydrophobicContact CB-CD1 3.8Å; V201-L276 HydrophobicContact CG1-CB 3.81Å; V201-L276 HydrophobicContact CG1-CD1 3.75Å; V201-L276 HydrophobicContact CG1-CG 4.45Å; V201-L276 HydrophobicContact CG2-CD1 3.94Å; I212-L276 PolarHBondContact O-N 3.34Å; L214-L276 HydrophobicContact CB-CD1 3.93Å; L214-L276 HydrophobicContact CB-CD2 4.08Å; L214-L276 HydrophobicContact CB-CG 4.02Å; L214-L276 HydrophobicContact CD2-CD1 4.28Å; L214-L276 HydrophobicContact CD2-CD2 4.38Å; E274-L276 PolarHBondContact O-N 3.16Å; L276-K278 VanDerWaalsContact C-N 3.33Å; L276-K278 PolarHBondContact O-N 2.87Å
277	N	89.1	Confident	87.5	Confident	12 Å²	12	68 Å²	68	6%	0.064	33%	0.332	C	S	.	.			trans	-83.2	70.1	179.7	63.7	-25.3	0	0	0	111.9	S206 I208 Y210 I212 Q275	S206-N277 WeakPolarHBondContact O-CB 3.49Å; I208-N277 PolarHBondContact O-ND2 3.49Å; Y210-N277 PolarHBondContact O-ND2 3.11Å; I212-N277 HydrophobicContact CD1-CB 4.36Å; I212-N277 PolarHBondContact N-OD1 3.42Å; Q275-N277 PolarHBondContact NE2-O 2.89Å
278	K	84.9	Confident	88.5	Confident	148 Å²	148	72.4 Å²	72.4	64%	0.643	35%	0.347	S	S	*	.			trans	-81.3	-19.5	174.1	-67.8	177.5	177.7	168.2	0	113.3	Q275 L276	Q275-K278 HydrophobicContact CB-CG 4.42Å; Q275-K278 HydrophobicContact CG-CG 4.17Å; Q275-K278 VanDerWaalsContact O-CE 3.23Å; Q275-K278 WeakPolarHBondContact O-CE 3.17Å; L276-K278 VanDerWaalsContact C-N 3.33Å; L276-K278 PolarHBondContact O-N 2.87Å
279	L	82.4	Confident	89.4	Confident	42 Å²	42	74.3 Å²	74.3	22%	0.22	36%	0.36	C	S	.	.			trans	-82.9	121.6	-175.4	-172.2	67.8	0	0	0	111.1	F207 F298	F207-L279 HydrophobicContact CE1-CB 4.37Å; F207-L279 HydrophobicContact CE1-CD2 3.61Å; F207-L279 HydrophobicContact CE1-CG 3.83Å; F207-L279 HydrophobicContact CZ-CD2 3.68Å; F207-L279 HydrophobicContact CZ-CG 4.41Å; L279-F298 HydrophobicContact CD1-CB 4.34Å; L279-F298 HydrophobicContact CD1-CD2 3.92Å; L279-F298 HydrophobicContact CD1-CG 4.5Å; L279-F298 HydrophobicContact CD2-CD2 3.99Å; L279-F298 HydrophobicContact CD2-CE2 4.15Å; L279-F298 HydrophobicContact CG-CD2 4.02Å; L279-F298 HydrophobicContact CG-CE2 4.43Å
280	K	84.6	Confident	90.1	Very high	152 Å²	152	67.2 Å²	67.2	66%	0.661	33%	0.329	S	S	*	.			trans	-82.6	142.9	177.8	-63.9	179.9	-177.5	175.8	0	110.9	L282	K280-L282 PolarHBondContact O-N 3.13Å
281	P	88.7	Confident	90.7	Very high	17 Å²	17	67 Å²	67	11%	0.11	34%	0.336	C	S	.	.			trans	-73.3	91.3	177.3	29.1	-33.5	0	0	0	110.4	F207 W283 T284	F207-P281 HydrophobicContact CB-CB 4.22Å; F207-P281 HydrophobicContact CD1-CB 3.8Å; F207-P281 HydrophobicContact CG-CB 4.28Å; P281-W283 HydrophobicContact CB-CD2 3.93Å; P281-W283 HydrophobicContact CB-CE3 3.96Å; P281-W283 HydrophobicContact CB-CH2 3.58Å; P281-W283 HydrophobicContact CB-CZ2 3.51Å; P281-W283 HydrophobicContact CB-CZ3 3.77Å; P281-W283 PolarHBondContact O-N 2.67Å; P281-T284 HydrophobicContact CB-CG2 4.12Å; P281-T284 HydrophobicContact CG-CG2 4.02Å; P281-T284 PolarHBondContact O-N 2.95Å; P281-T284 VanDerWaalsContact O-N 3.09Å; P281-T284 PolarHBondContact O-OG1 3.24Å
282	L	92.5	Very high	91.2	Very high	8 Å²	8	67.5 Å²	67.5	4%	0.042	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-57.5	-26.9	-173	-71.3	-174.1	0	0	0	114.2	K280 T284 R285 I290 E294 Y295 F298 L326	K280-L282 PolarHBondContact O-N 3.13Å; L282-T284 PolarHBondContact O-N 2.87Å; L282-R285 PolarHBondContact O-N 3.5Å; L282-I290 HydrophobicContact CB-CD1 4.4Å; L282-I290 HydrophobicContact CD1-CG2 4.12Å; L282-I290 HydrophobicContact CD2-CG2 4.18Å; L282-I290 VanDerWaalsContact O-CD1 3.26Å; L282-I290 WeakPolarHBondContact O-CD1 3.17Å; L282-E294 HydrophobicContact CD1-CB 4.32Å; L282-E294 WeakPolarHBondContact CD1-O 3.42Å; L282-Y295 HydrophobicContact CD1-CD1 4.02Å; L282-F298 HydrophobicContact CB-CD2 4.3Å; L282-F298 HydrophobicContact CD1-CB 3.47Å; L282-F298 VanDerWaalsContact CD1-CB 3.47Å; L282-F298 HydrophobicContact CD1-CD2 4.01Å; L282-F298 HydrophobicContact CD1-CG 3.78Å; L282-F298 HydrophobicContact CG-CB 4.23Å; L282-F298 HydrophobicContact CG-CD2 3.87Å; L282-F298 HydrophobicContact CG-CG 4.18Å; L282-L326 HydrophobicContact CB-CD1 3.89Å
283	W	93.1	Very high	91.4	Very high	3 Å²	3	70 Å²	70	1%	0.011	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-67.8	-11.2	179.1	65.1	87.6	0	0	0	114.7	F207 P281 F298 H314 R324 L326 R354 V375 D377	F207-W283 HydrophobicContact CB-CH2 4.13Å; F207-W283 HydrophobicContact CB-CZ2 4.45Å; F207-W283 AromaticContact CD1-CH2 3.69Å; F207-W283 HydrophobicContact CD1-CH2 3.69Å; F207-W283 HydrophobicContact CD1-CZ3 4.02Å; F207-W283 AromaticContact CD2-CH2 3.57Å; F207-W283 HydrophobicContact CD2-CH2 3.57Å; F207-W283 HydrophobicContact CD2-CZ3 4.36Å; F207-W283 AromaticContact CE1-CH2 3.88Å; F207-W283 HydrophobicContact CE1-CH2 3.88Å; F207-W283 AromaticContact CE1-CZ3 3.8Å; F207-W283 HydrophobicContact CE1-CZ3 3.8Å; F207-W283 AromaticContact CE2-CH2 3.77Å; F207-W283 HydrophobicContact CE2-CH2 3.77Å; F207-W283 HydrophobicContact CE2-CZ3 4.15Å; F207-W283 AromaticContact CG-CH2 3.51Å; F207-W283 HydrophobicContact CG-CH2 3.51Å; F207-W283 HydrophobicContact CG-CZ2 4.29Å; F207-W283 HydrophobicContact CG-CZ3 4.28Å; F207-W283 AromaticContact CZ-CH2 3.91Å; F207-W283 HydrophobicContact CZ-CH2 3.91Å; F207-W283 AromaticContact CZ-CZ3 3.86Å; F207-W283 HydrophobicContact CZ-CZ3 3.86Å; P281-W283 HydrophobicContact CB-CD2 3.93Å; P281-W283 HydrophobicContact CB-CE3 3.96Å; P281-W283 HydrophobicContact CB-CH2 3.58Å; P281-W283 HydrophobicContact CB-CZ2 3.51Å; P281-W283 HydrophobicContact CB-CZ3 3.77Å; P281-W283 PolarHBondContact O-N 2.67Å; W283-F298 HydrophobicContact CE3-CE2 4.16Å; W283-F298 AromaticContact CE3-CZ 3.98Å; W283-F298 HydrophobicContact CE3-CZ 3.98Å; W283-F298 AromaticContact CZ3-CE2 3.79Å; W283-F298 HydrophobicContact CZ3-CE2 3.79Å; W283-F298 AromaticContact CZ3-CZ 3.69Å; W283-F298 HydrophobicContact CZ3-CZ 3.69Å; W283-H314 WeakPolarHBondContact CA-NE2 3.35Å; W283-R324 HydrophobicContact CB-CB 4.26Å; W283-R324 WeakPolarHBondContact O-CD 3.41Å; W283-R324 PolarHBondContact O-NH1 3.37Å; W283-L326 HydrophobicContact CB-CD1 4.15Å; W283-L326 HydrophobicContact CB-CG 4.11Å; W283-L326 HydrophobicContact CE3-CD1 4.17Å; W283-R354 HydrophobicContact CZ2-CG 4.1Å; W283-V375 HydrophobicContact CD2-CG1 4.18Å; W283-V375 HydrophobicContact CE3-CB 4.45Å; W283-V375 HydrophobicContact CE3-CG1 3.87Å; W283-V375 HydrophobicContact CH2-CG1 3.84Å; W283-V375 HydrophobicContact CZ2-CG1 4.17Å; W283-V375 HydrophobicContact CZ3-CB 4.35Å; W283-V375 HydrophobicContact CZ3-CG1 3.71Å; W283-V375 HydrophobicContact CZ3-CG2 4.38Å; W283-D377 HydrophobicContact CZ2-CB 3.99Å; W283-D377 PolarHBondContact NE1-OD2 3.29Å
284	T	89.6	Confident	91.5	Very high	62 Å²	62	68.7 Å²	68.7	38%	0.38	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-84	-21.5	175.9	65.4	0	0	0	0	112.9	P281 L282 R324	P281-T284 HydrophobicContact CB-CG2 4.12Å; P281-T284 HydrophobicContact CG-CG2 4.02Å; P281-T284 PolarHBondContact O-N 2.95Å; P281-T284 VanDerWaalsContact O-N 3.09Å; P281-T284 PolarHBondContact O-OG1 3.24Å; L282-T284 PolarHBondContact O-N 2.87Å; T284-R324 VanDerWaalsContact C-NH1 3.34Å; T284-R324 PolarHBondContact O-NH1 3.12Å
285	R	92.1	Very high	91.6	Very high	77 Å²	77	67.8 Å²	67.8	29%	0.291	34%	0.339	S	S	.	.	S	Bend	trans	-81	158.1	176.1	-74.9	162.5	65.8	-178	1.8	111.4	L282 D289 I290 E294 H314	L282-R285 PolarHBondContact O-N 3.5Å; R285-D289 PolarHBondContact NH2-O 3.49Å; R285-I290 HydrophobicContact CB-CD1 3.77Å; R285-I290 HydrophobicContact CB-CG1 3.94Å; R285-E294 IonicContact CZ-OE1 3.52Å; R285-E294 IonicContact CZ-OE2 3.15Å; R285-E294 IonicContact NH1-OE1 3.91Å; R285-E294 PolarHBondContact NH1-OE1 3.47Å; R285-E294 IonicContact NH1-OE2 2.71Å; R285-E294 PolarHBondContact NH1-OE2 3.44Å; R285-E294 IonicContact NH2-OE1 3.6Å; R285-E294 PolarHBondContact NH2-OE1 3.1Å; R285-E294 IonicContact NH2-OE2 2.76Å; R285-E294 PolarHBondContact NH2-OE2 3.2Å; R285-H314 PolarHBondContact O-CE1 3.31Å
286	N	92	Very high	91.7	Very high	67 Å²	67	64.5 Å²	64.5	36%	0.358	33%	0.326	S	S	.	.			trans	-59.7	130.1	166.9	176.1	12.6	0	0	0	109.3	E288 D289 I290	N286-E288 PolarHBondContact ND2-OE2 2.86Å; N286-E288 PolarHBondContact O-N 3.41Å; N286-E288 VanDerWaalsContact O-N 3.1Å; N286-E288 PolarHBondContact OD1-N 3.47Å; N286-D289 HydrophobicContact CB-CB 4.4Å; N286-D289 WeakPolarHBondContact CB-OD2 2.96Å; N286-D289 PolarHBondContact ND2-OD2 2.86Å; N286-D289 PolarHBondContact O-N 2.7Å; N286-I290 WeakPolarHBondContact O-CG1 3.21Å
287	P	93.3	Very high	91.8	Very high	62 Å²	62	69.6 Å²	69.6	40%	0.403	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-51.3	-30.6	176.5	-26.8	30.5	0	0	0	115.4	Y295 H314	P287-Y295 PolarHBondContact O-OH 3.32Å; P287-H314 HydrophobicContact CB-CB 4.31Å; P287-H314 HydrophobicContact CG-CB 4.34Å
288	E	93.3	Very high	92	Very high	168 Å²	168	69.1 Å²	69.1	79%	0.785	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-72.9	-25.6	-179.1	-55.2	173.6	138.7	0	0	113.2	N286 I290	N286-E288 PolarHBondContact ND2-OE2 2.86Å; N286-E288 PolarHBondContact O-N 3.41Å; N286-E288 VanDerWaalsContact O-N 3.1Å; N286-E288 PolarHBondContact OD1-N 3.47Å; E288-I290 VanDerWaalsContact C-N 3.3Å; E288-I290 PolarHBondContact O-N 2.91Å
289	D	94.2	Very high	92.5	Very high	111 Å²	111	62.2 Å²	62.2	59%	0.594	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-89.4	13.2	-177.8	-68.8	-49.4	0	0	0	112.8	R285 N286	R285-D289 PolarHBondContact NH2-O 3.49Å; N286-D289 HydrophobicContact CB-CB 4.4Å; N286-D289 WeakPolarHBondContact CB-OD2 2.96Å; N286-D289 PolarHBondContact ND2-OD2 2.86Å; N286-D289 PolarHBondContact O-N 2.7Å
290	I	94.9	Very high	93	Very high	14 Å²	14	63.4 Å²	63.4	7%	0.072	32%	0.319	C	S	.	.			trans	-124.8	125.6	-172.5	-52.6	168	0	0	0	110	L282 R285 N286 E288 E294 Y295	L282-I290 HydrophobicContact CB-CD1 4.4Å; L282-I290 HydrophobicContact CD1-CG2 4.12Å; L282-I290 HydrophobicContact CD2-CG2 4.18Å; L282-I290 VanDerWaalsContact O-CD1 3.26Å; L282-I290 WeakPolarHBondContact O-CD1 3.17Å; R285-I290 HydrophobicContact CB-CD1 3.77Å; R285-I290 HydrophobicContact CB-CG1 3.94Å; N286-I290 WeakPolarHBondContact O-CG1 3.21Å; E288-I290 VanDerWaalsContact C-N 3.3Å; E288-I290 PolarHBondContact O-N 2.91Å; I290-E294 WeakPolarHBondContact CA-OE2 3.32Å; I290-E294 HydrophobicContact CG2-CB 3.92Å; I290-Y295 HydrophobicContact CB-CD2 4.48Å; I290-Y295 HydrophobicContact CB-CE1 4.42Å; I290-Y295 HydrophobicContact CB-CE2 3.73Å; I290-Y295 HydrophobicContact CD1-CE1 4.22Å; I290-Y295 HydrophobicContact CG2-CD1 4.12Å; I290-Y295 HydrophobicContact CG2-CD2 3.79Å; I290-Y295 HydrophobicContact CG2-CE1 3.85Å; I290-Y295 HydrophobicContact CG2-CE2 3.5Å; I290-Y295 HydrophobicContact CG2-CG 4.1Å
291	T	95.4	Very high	93.2	Very high	68 Å²	68	58.6 Å²	58.6	42%	0.417	31%	0.305	S	S	.	.			trans	-84.8	161.2	-178.2	88.7	0	0	0	0	112.9	E293 E294 Y295	T291-E293 WeakPolarHBondContact CB-OE2 3.34Å; T291-E293 PolarHBondContact O-N 3.37Å; T291-E293 PolarHBondContact OG1-N 2.96Å; T291-E293 PolarHBondContact OG1-OE2 3.35Å; T291-E294 PolarHBondContact N-OE2 3.2Å; T291-E294 PolarHBondContact O-N 2.85Å; T291-E294 VanDerWaalsContact O-N 3.15Å; T291-E294 PolarHBondContact OG1-N 2.92Å; T291-Y295 WeakPolarHBondContact O-CD2 3.14Å; T291-Y295 PolarHBondContact O-N 3.32Å; T291-Y295 VanDerWaalsContact O-N 3.12Å
292	T	94.2	Very high	93.1	Very high	96 Å²	96	58.6 Å²	58.6	59%	0.589	30%	0.304	S	S	*	.	H	α-helix	trans	-57.8	-35	175.9	-50.6	0	0	0	0	112	Y295 A296	T292-Y295 PolarHBondContact O-N 3.46Å; T292-A296 WeakPolarHBondContact O-CB 3.26Å; T292-A296 PolarHBondContact O-N 3.17Å
293	E	94.6	Very high	92.9	Very high	124 Å²	124	59.7 Å²	59.7	58%	0.579	31%	0.311	S	S	*	.	H	α-helix	trans	-66.2	-42.3	177.3	-58.6	69.7	-150.7	0	0	111.2	T291 A296 E297	T291-E293 WeakPolarHBondContact CB-OE2 3.34Å; T291-E293 PolarHBondContact O-N 3.37Å; T291-E293 PolarHBondContact OG1-N 2.96Å; T291-E293 PolarHBondContact OG1-OE2 3.35Å; E293-A296 PolarHBondContact O-N 3.15Å; E293-E297 PolarHBondContact O-N 2.89Å
294	E	94.6	Very high	92.6	Very high	60 Å²	60	65.1 Å²	65.1	28%	0.28	34%	0.34	S	S	.	.	H	α-helix	trans	-63.8	-43.7	175.7	-64.7	-172.4	101.1	0	0	111.7	L282 R285 I290 T291 A296 E297 F298	L282-E294 HydrophobicContact CD1-CB 4.32Å; L282-E294 WeakPolarHBondContact CD1-O 3.42Å; R285-E294 IonicContact CZ-OE1 3.52Å; R285-E294 IonicContact CZ-OE2 3.15Å; R285-E294 IonicContact NH1-OE1 3.91Å; R285-E294 PolarHBondContact NH1-OE1 3.47Å; R285-E294 IonicContact NH1-OE2 2.71Å; R285-E294 PolarHBondContact NH1-OE2 3.44Å; R285-E294 IonicContact NH2-OE1 3.6Å; R285-E294 PolarHBondContact NH2-OE1 3.1Å; R285-E294 IonicContact NH2-OE2 2.76Å; R285-E294 PolarHBondContact NH2-OE2 3.2Å; I290-E294 WeakPolarHBondContact CA-OE2 3.32Å; I290-E294 HydrophobicContact CG2-CB 3.92Å; T291-E294 PolarHBondContact N-OE2 3.2Å; T291-E294 PolarHBondContact O-N 2.85Å; T291-E294 VanDerWaalsContact O-N 3.15Å; T291-E294 PolarHBondContact OG1-N 2.92Å; E294-A296 VanDerWaalsContact C-N 3.3Å; E294-A296 PolarHBondContact O-N 3.33Å; E294-E297 PolarHBondContact O-N 2.7Å; E294-F298 VanDerWaalsContact O-CB 3.28Å; E294-F298 WeakPolarHBondContact O-CB 3.45Å; E294-F298 PolarHBondContact O-N 2.93Å
295	Y	96.3	Very high	92.6	Very high	19 Å²	19	64.2 Å²	64.2	8%	0.075	33%	0.333	C	S	.	.	H	α-helix	trans	-61.9	-37.1	173.3	-71.3	-64.7	0	0	0	112.2	L282 P287 I290 T291 T292 Y299 H309 V312 H314 L326	L282-Y295 HydrophobicContact CD1-CD1 4.02Å; P287-Y295 PolarHBondContact O-OH 3.32Å; I290-Y295 HydrophobicContact CB-CD2 4.48Å; I290-Y295 HydrophobicContact CB-CE1 4.42Å; I290-Y295 HydrophobicContact CB-CE2 3.73Å; I290-Y295 HydrophobicContact CD1-CE1 4.22Å; I290-Y295 HydrophobicContact CG2-CD1 4.12Å; I290-Y295 HydrophobicContact CG2-CD2 3.79Å; I290-Y295 HydrophobicContact CG2-CE1 3.85Å; I290-Y295 HydrophobicContact CG2-CE2 3.5Å; I290-Y295 HydrophobicContact CG2-CG 4.1Å; T291-Y295 WeakPolarHBondContact O-CD2 3.14Å; T291-Y295 PolarHBondContact O-N 3.32Å; T291-Y295 VanDerWaalsContact O-N 3.12Å; T292-Y295 PolarHBondContact O-N 3.46Å; Y295-Y299 VanDerWaalsContact O-CB 3.29Å; Y295-Y299 WeakPolarHBondContact O-CB 3.43Å; Y295-Y299 PolarHBondContact O-N 3.06Å; Y295-H309 WeakPolarHBondContact CB-NE2 3.48Å; Y295-V312 HydrophobicContact CD1-CG2 4Å; Y295-V312 HydrophobicContact CD2-CG1 4.29Å; Y295-V312 HydrophobicContact CE1-CG2 4.36Å; Y295-V312 HydrophobicContact CG-CG1 4.19Å; Y295-V312 HydrophobicContact CG-CG2 4.38Å; Y295-H314 HydrophobicContact CE1-CB 4.44Å; Y295-H314 AromaticContact CE1-ND1 3.99Å; Y295-H314 AromaticContact CZ-ND1 3.94Å; Y295-H314 PolarHBondContact OH-ND1 3.02Å; Y295-L326 HydrophobicContact CD1-CD2 4.29Å; Y295-L326 HydrophobicContact CE1-CD2 3.72Å
296	A	95.3	Very high	92.6	Very high	9 Å²	9	69.5 Å²	69.5	7%	0.074	35%	0.353	C	S	.	.	H	α-helix	trans	-68.9	-45.9	177.3	0	0	0	0	0	112.7	T292 E293 E294 F298 Y299 K300 D308	T292-A296 WeakPolarHBondContact O-CB 3.26Å; T292-A296 PolarHBondContact O-N 3.17Å; E293-A296 PolarHBondContact O-N 3.15Å; E294-A296 VanDerWaalsContact C-N 3.3Å; E294-A296 PolarHBondContact O-N 3.33Å; A296-F298 VanDerWaalsContact C-N 3.34Å; A296-Y299 PolarHBondContact O-N 3.09Å; A296-K300 WeakPolarHBondContact O-CG 3.2Å; A296-K300 PolarHBondContact O-N 2.91Å; A296-D308 HydrophobicContact CB-CB 3.91Å
297	E	93.4	Very high	92.7	Very high	143 Å²	143	67.8 Å²	67.8	67%	0.668	34%	0.343	S	S	*	.	H	α-helix	trans	-61.2	-43.1	174.5	-73.7	-170.6	173.9	0	0	111.5	E293 E294 K300 S301	E293-E297 PolarHBondContact O-N 2.89Å; E294-E297 PolarHBondContact O-N 2.7Å; E297-K300 PolarHBondContact O-N 2.95Å; E297-S301 WeakPolarHBondContact O-CB 3.25Å; E297-S301 PolarHBondContact O-N 2.69Å
298	F	93.6	Very high	92.8	Very high	2 Å²	2	67.5 Å²	67.5	1%	0.009	34%	0.338	C	S	.	.	H	α-helix	trans	-62.4	-45.2	175.4	177.5	-82	0	0	0	112	F207 L279 L282 W283 E294 A296 K300 S301 L302 L326 F328 V375	F207-F298 AromaticContact CE1-CE2 3.74Å; F207-F298 HydrophobicContact CE1-CE2 3.74Å; F207-F298 HydrophobicContact CE1-CZ 4.5Å; F207-F298 AromaticContact CZ-CE2 3.87Å; F207-F298 HydrophobicContact CZ-CE2 3.87Å; F207-F298 HydrophobicContact CZ-CZ 4.23Å; L279-F298 HydrophobicContact CD1-CB 4.34Å; L279-F298 HydrophobicContact CD1-CD2 3.92Å; L279-F298 HydrophobicContact CD1-CG 4.5Å; L279-F298 HydrophobicContact CD2-CD2 3.99Å; L279-F298 HydrophobicContact CD2-CE2 4.15Å; L279-F298 HydrophobicContact CG-CD2 4.02Å; L279-F298 HydrophobicContact CG-CE2 4.43Å; L282-F298 HydrophobicContact CB-CD2 4.3Å; L282-F298 HydrophobicContact CD1-CB 3.47Å; L282-F298 VanDerWaalsContact CD1-CB 3.47Å; L282-F298 HydrophobicContact CD1-CD2 4.01Å; L282-F298 HydrophobicContact CD1-CG 3.78Å; L282-F298 HydrophobicContact CG-CB 4.23Å; L282-F298 HydrophobicContact CG-CD2 3.87Å; L282-F298 HydrophobicContact CG-CG 4.18Å; W283-F298 HydrophobicContact CE3-CE2 4.16Å; W283-F298 AromaticContact CE3-CZ 3.98Å; W283-F298 HydrophobicContact CE3-CZ 3.98Å; W283-F298 AromaticContact CZ3-CE2 3.79Å; W283-F298 HydrophobicContact CZ3-CE2 3.79Å; W283-F298 AromaticContact CZ3-CZ 3.69Å; W283-F298 HydrophobicContact CZ3-CZ 3.69Å; E294-F298 VanDerWaalsContact O-CB 3.28Å; E294-F298 WeakPolarHBondContact O-CB 3.45Å; E294-F298 PolarHBondContact O-N 2.93Å; A296-F298 VanDerWaalsContact C-N 3.34Å; F298-K300 PolarHBondContact O-N 2.79Å; F298-S301 PolarHBondContact O-N 2.59Å; F298-L302 HydrophobicContact CE1-CB 4.41Å; F298-L302 HydrophobicContact CE1-CD2 3.95Å; F298-L302 VanDerWaalsContact O-CB 3.24Å; F298-L302 WeakPolarHBondContact O-CB 3.42Å; F298-L302 PolarHBondContact O-N 2.87Å; F298-L326 HydrophobicContact CD1-CD1 4.34Å; F298-L326 HydrophobicContact CE1-CD1 3.83Å; F298-L326 HydrophobicContact CZ-CD1 3.97Å; F298-F328 AromaticContact CD1-CE2 3.92Å; F298-F328 HydrophobicContact CD1-CE2 3.92Å; F298-F328 AromaticContact CD1-CZ 3.64Å; F298-F328 HydrophobicContact CD1-CZ 3.64Å; F298-F328 AromaticContact CE1-CE2 3.81Å; F298-F328 HydrophobicContact CE1-CE2 3.81Å; F298-F328 AromaticContact CE1-CZ 3.98Å; F298-F328 HydrophobicContact CE1-CZ 3.98Å; F298-V375 HydrophobicContact CZ-CG2 4.15Å
299	Y	94.7	Very high	93	Very high	3 Å²	3	60.2 Å²	60.2	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-58.4	-47.6	176.4	167.3	-96.7	0	0	0	111.9	Y295 A296 S301 L302 T303 D305 E307 H309 F328 P330 R373	Y295-Y299 VanDerWaalsContact O-CB 3.29Å; Y295-Y299 WeakPolarHBondContact O-CB 3.43Å; Y295-Y299 PolarHBondContact O-N 3.06Å; A296-Y299 PolarHBondContact O-N 3.09Å; Y299-S301 PolarHBondContact O-N 3.02Å; Y299-L302 PolarHBondContact O-N 3.27Å; Y299-T303 HydrophobicContact CD2-CG2 3.96Å; Y299-T303 HydrophobicContact CE2-CG2 3.74Å; Y299-T303 WeakPolarHBondContact O-CB 3.42Å; Y299-T303 WeakPolarHBondContact O-CG2 3.49Å; Y299-T303 PolarHBondContact O-N 2.92Å; Y299-T303 PolarHBondContact O-OG1 3.3Å; Y299-D305 HydrophobicContact CE1-CB 3.66Å; Y299-D305 WeakPolarHBondContact CE1-OD2 3.14Å; Y299-D305 PolarHBondContact OH-OD2 2.85Å; Y299-E307 WeakPolarHBondContact CE1-O 3.43Å; Y299-H309 HydrophobicContact CD1-CB 4.15Å; Y299-H309 HydrophobicContact CD2-CB 3.96Å; Y299-H309 HydrophobicContact CE1-CB 4.41Å; Y299-H309 HydrophobicContact CE2-CB 4.21Å; Y299-H309 HydrophobicContact CG-CB 3.93Å; Y299-F328 HydrophobicContact CD2-CB 3.65Å; Y299-F328 AromaticContact CD2-CD1 3.91Å; Y299-F328 HydrophobicContact CD2-CD1 3.91Å; Y299-F328 HydrophobicContact CD2-CD2 4.36Å; Y299-F328 AromaticContact CD2-CG 3.73Å; Y299-F328 HydrophobicContact CD2-CG 3.73Å; Y299-F328 HydrophobicContact CE2-CB 4Å; Y299-F328 HydrophobicContact CG-CD1 4.29Å; Y299-P330 WeakPolarHBondContact OH-CB 3.33Å; Y299-R373 HydrophobicContact CE2-CB 4.22Å; Y299-R373 HydrophobicContact CE2-CG 4.26Å
300	K	92.7	Very high	93.1	Very high	66 Å²	66	56.2 Å²	56.2	29%	0.287	28%	0.282	S	S	.	.	H	α-helix	trans	-61	-44.5	176.9	-68.8	173.5	-171.8	-179.7	0	111.4	A296 E297 F298 L302 N304 D305 W306 E307 D308	A296-K300 WeakPolarHBondContact O-CG 3.2Å; A296-K300 PolarHBondContact O-N 2.91Å; E297-K300 PolarHBondContact O-N 2.95Å; F298-K300 PolarHBondContact O-N 2.79Å; K300-L302 PolarHBondContact O-N 3.19Å; K300-N304 WeakPolarHBondContact O-CA 3.48Å; K300-N304 PolarHBondContact O-N 2.67Å; K300-D305 WeakPolarHBondContact CB-O 3.42Å; K300-D305 WeakPolarHBondContact CG-O 3.45Å; K300-W306 VanDerWaalsContact CE-O 3.22Å; K300-W306 WeakPolarHBondContact CE-O 3.44Å; K300-W306 PolarHBondContact NZ-O 2.93Å; K300-E307 VanDerWaalsContact CE-O 3.26Å; K300-E307 WeakPolarHBondContact CE-O 3.39Å; K300-E307 WeakPolarHBondContact CG-O 3.33Å; K300-D308 WeakPolarHBondContact CE-OD1 3.46Å; K300-D308 IonicContact NZ-OD1 3.23Å; K300-D308 PolarHBondContact NZ-OD1 3.39Å
301	S	87.9	Confident	93.2	Very high	52 Å²	52	56.3 Å²	56.3	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-66.6	-36.5	178.5	-160.2	0	0	0	0	113.5	E297 F298 Y299	E297-S301 WeakPolarHBondContact O-CB 3.25Å; E297-S301 PolarHBondContact O-N 2.69Å; F298-S301 PolarHBondContact O-N 2.59Å; Y299-S301 PolarHBondContact O-N 3.02Å
302	L	88	Confident	93.3	Very high	17 Å²	17	54.9 Å²	54.9	9%	0.089	28%	0.276	C	S	.	.	H	α-helix	trans	-69.2	-39.6	178.3	175.9	66.1	0	0	0	113	F298 Y299 K300 F328 K349 V375	F298-L302 HydrophobicContact CE1-CB 4.41Å; F298-L302 HydrophobicContact CE1-CD2 3.95Å; F298-L302 VanDerWaalsContact O-CB 3.24Å; F298-L302 WeakPolarHBondContact O-CB 3.42Å; F298-L302 PolarHBondContact O-N 2.87Å; Y299-L302 PolarHBondContact O-N 3.27Å; K300-L302 PolarHBondContact O-N 3.19Å; L302-F328 HydrophobicContact CD2-CD2 4.5Å; L302-F328 HydrophobicContact CD2-CE2 4.39Å; L302-K349 HydrophobicContact CD1-CD 4.09Å; L302-K349 PolarHBondContact O-NZ 3.42Å; L302-V375 HydrophobicContact CD1-CG2 3.78Å; L302-V375 HydrophobicContact CD2-CG2 4.02Å
303	T	87.6	Confident	93.4	Very high	31 Å²	31	52.1 Å²	52.1	19%	0.19	26%	0.256	C	S	.	.	H	α-helix	trans	-105.7	-23.5	-168.2	62.4	0	0	0	0	114.1	Y299 D305 R373	Y299-T303 HydrophobicContact CD2-CG2 3.96Å; Y299-T303 HydrophobicContact CE2-CG2 3.74Å; Y299-T303 WeakPolarHBondContact O-CB 3.42Å; Y299-T303 WeakPolarHBondContact O-CG2 3.49Å; Y299-T303 PolarHBondContact O-N 2.92Å; Y299-T303 PolarHBondContact O-OG1 3.3Å; T303-D305 VanDerWaalsContact OG1-CB 3.28Å; T303-D305 WeakPolarHBondContact OG1-CB 3.19Å; T303-D305 PolarHBondContact OG1-N 3.43Å; T303-D305 VanDerWaalsContact OG1-N 3.08Å; T303-R373 HydrophobicContact CG2-CB 3.96Å; T303-R373 HydrophobicContact CG2-CG 3.87Å
304	N	86.3	Confident	93.6	Very high	117 Å²	117	47.5 Å²	47.5	63%	0.626	23%	0.234	S	C	*	.			trans	62.7	20.3	-164	-33.4	-88.3	0	0	0	114	K202 K300	K202-N304 PolarHBondContact NZ-OD1 3.42Å; K300-N304 WeakPolarHBondContact O-CA 3.48Å; K300-N304 PolarHBondContact O-N 2.67Å
305	D	90.9	Very high	93.6	Very high	43 Å²	43	45.4 Å²	45.4	23%	0.23	22%	0.224	C	C	.	.			trans	-67.7	152.7	161.5	-163.8	-8.4	0	0	0	109.9	Y299 K300 T303 E307	Y299-D305 HydrophobicContact CE1-CB 3.66Å; Y299-D305 WeakPolarHBondContact CE1-OD2 3.14Å; Y299-D305 PolarHBondContact OH-OD2 2.85Å; K300-D305 WeakPolarHBondContact CB-O 3.42Å; K300-D305 WeakPolarHBondContact CG-O 3.45Å; T303-D305 VanDerWaalsContact OG1-CB 3.28Å; T303-D305 WeakPolarHBondContact OG1-CB 3.19Å; T303-D305 PolarHBondContact OG1-N 3.43Å; T303-D305 VanDerWaalsContact OG1-N 3.08Å; D305-E307 PolarHBondContact OD1-N 3.11Å
306	W	90.9	Very high	93.6	Very high	187 Å²	187	47.2 Å²	47.2	71%	0.708	24%	0.24	S	C	*	.	S	Bend	trans	-104.4	-23	176.5	60.8	-85.5	0	0	0	112	K300	K300-W306 VanDerWaalsContact CE-O 3.22Å; K300-W306 WeakPolarHBondContact CE-O 3.44Å; K300-W306 PolarHBondContact NZ-O 2.93Å
307	E	93.9	Very high	93.4	Very high	31 Å²	31	48.2 Å²	48.2	15%	0.145	25%	0.245	C	C	.	.	S	Bend	trans	-79	159.2	167.6	-62.4	-162.2	144.9	0	0	110.8	Y299 K300 D305 K331 R332	Y299-E307 WeakPolarHBondContact CE1-O 3.43Å; K300-E307 VanDerWaalsContact CE-O 3.26Å; K300-E307 WeakPolarHBondContact CE-O 3.39Å; K300-E307 WeakPolarHBondContact CG-O 3.33Å; D305-E307 PolarHBondContact OD1-N 3.11Å; E307-K331 HydrophobicContact CB-CD 4.39Å; E307-R332 VanDerWaalsContact CD-NE 3.31Å; E307-R332 IonicContact OE1-CZ 3.25Å; E307-R332 IonicContact OE1-NE 2.9Å; E307-R332 PolarHBondContact OE1-NE 3.37Å; E307-R332 IonicContact OE1-NH2 2.77Å; E307-R332 PolarHBondContact OE1-NH2 2.9Å; E307-R332 IonicContact OE2-CZ 2.85Å; E307-R332 IonicContact OE2-NE 2.72Å; E307-R332 PolarHBondContact OE2-NE 3.12Å; E307-R332 IonicContact OE2-NH2 2.72Å
308	D	96.3	Very high	93.2	Very high	56 Å²	56	48.4 Å²	48.4	30%	0.299	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-76.5	163.5	169.9	-20.8	-79.8	0	0	0	110	A296 K300 K331	A296-D308 HydrophobicContact CB-CB 3.91Å; K300-D308 WeakPolarHBondContact CE-OD1 3.46Å; K300-D308 IonicContact NZ-OD1 3.23Å; K300-D308 PolarHBondContact NZ-OD1 3.39Å; D308-K331 WeakPolarHBondContact O-CD 3.3Å; D308-K331 WeakPolarHBondContact O-CE 3.39Å; D308-K331 WeakPolarHBondContact O-CG 3.3Å; D308-K331 IonicContact OD2-NZ 3.76Å; D308-K331 PolarHBondContact OD2-NZ 3.38Å
309	H	96.4	Very high	92.7	Very high	15 Å²	15	50.8 Å²	50.8	7%	0.069	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	155.8	169.5	58.4	68.8	0	0	0	111.9	Y295 Y299 F328 K331	Y295-H309 WeakPolarHBondContact CB-NE2 3.48Å; Y299-H309 HydrophobicContact CD1-CB 4.15Å; Y299-H309 HydrophobicContact CD2-CB 3.96Å; Y299-H309 HydrophobicContact CE1-CB 4.41Å; Y299-H309 HydrophobicContact CE2-CB 4.21Å; Y299-H309 HydrophobicContact CG-CB 3.93Å; H309-F328 HydrophobicContact CB-CB 4.3Å; H309-F328 HydrophobicContact CB-CD1 3.92Å; H309-F328 AromaticContact CD2-CD1 3.38Å; H309-F328 WeakPolarHBondContact CD2-CD1 3.47Å; H309-F328 AromaticContact CD2-CE1 3.54Å; H309-F328 AromaticContact CG-CD1 3.74Å; H309-K331 WeakPolarHBondContact O-CE 3.43Å
310	L	96.7	Very high	92	Very high	28 Å²	28	61 Å²	61	15%	0.147	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-42	168.8	-175.1	61.5	0	0	0	110.8	V329 K331 N420 F424	L310-V329 HydrophobicContact CB-CB 4.48Å; L310-V329 HydrophobicContact CB-CG1 4.2Å; L310-V329 WeakPolarHBondContact CB-O 3.34Å; L310-V329 HydrophobicContact CD2-CG1 4.21Å; L310-V329 PolarHBondContact N-O 3.03Å; L310-K331 HydrophobicContact CB-CG 4Å; L310-K331 HydrophobicContact CD1-CG 4.41Å; L310-N420 HydrophobicContact CD1-CB 4.33Å; L310-F424 HydrophobicContact CD2-CB 3.73Å; L310-F424 HydrophobicContact CD2-CD2 4.31Å; L310-F424 HydrophobicContact CD2-CG 4.5Å
311	A	97.3	Very high	91.7	Very high	16 Å²	16	59.1 Å²	59.1	13%	0.132	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	157.1	179.9	0	0	0	0	0	111	F328 V329 L410 I414	A311-F328 WeakPolarHBondContact O-CA 3.26Å; A311-V329 PolarHBondContact O-N 3.12Å; A311-L410 HydrophobicContact CB-CD1 3.91Å; A311-L410 HydrophobicContact CB-CG 4.46Å; A311-I414 HydrophobicContact CB-CD1 3.65Å; A311-I414 HydrophobicContact CB-CG1 3.71Å
312	V	97.4	Very high	91.8	Very high	38 Å²	38	61.8 Å²	61.8	23%	0.23	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.1	179	58	0	0	0	0	110.3	Y295 L327 F328	Y295-V312 HydrophobicContact CD1-CG2 4Å; Y295-V312 HydrophobicContact CD2-CG1 4.29Å; Y295-V312 HydrophobicContact CE1-CG2 4.36Å; Y295-V312 HydrophobicContact CG-CG1 4.19Å; Y295-V312 HydrophobicContact CG-CG2 4.38Å; V312-L327 CarbonylContact C-O 3.58Å; V312-L327 VanDerWaalsContact CA-O 3.3Å; V312-L327 WeakPolarHBondContact CA-O 3.4Å; V312-F328 HydrophobicContact CB-CD1 3.74Å; V312-F328 HydrophobicContact CB-CE1 3.8Å; V312-F328 HydrophobicContact CG2-CD1 3.63Å; V312-F328 HydrophobicContact CG2-CE1 3.33Å; V312-F328 HydrophobicContact CG2-CG 4.39Å; V312-F328 HydrophobicContact CG2-CZ 3.85Å
313	K	97.2	Very high	92	Very high	37 Å²	37	61.3 Å²	61.3	16%	0.161	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	115.2	170.2	-162.4	60.3	163.2	-179.7	0	110.2	F315 L327 L410 E413	K313-F315 HydrophobicContact CG-CD1 4.2Å; K313-L327 HydrophobicContact CB-CB 4.48Å; K313-L327 PolarHBondContact N-O 3.1Å; K313-L327 PolarHBondContact O-N 2.67Å; K313-L410 HydrophobicContact CB-CB 4.19Å; K313-L410 HydrophobicContact CB-CD1 4.09Å; K313-L410 HydrophobicContact CB-CD2 3.98Å; K313-L410 HydrophobicContact CB-CG 4.3Å; K313-L410 HydrophobicContact CD-CD1 4.47Å; K313-L410 HydrophobicContact CG-CB 4.44Å; K313-E413 WeakPolarHBondContact CE-OE2 3.4Å; K313-E413 IonicContact NZ-OE1 3.34Å; K313-E413 PolarHBondContact NZ-OE1 2.9Å; K313-E413 IonicContact NZ-OE2 3.58Å; K313-E413 PolarHBondContact NZ-OE2 3.33Å
314	H	97.4	Very high	92.4	Very high	27 Å²	27	65.2 Å²	65.2	13%	0.125	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.2	171.8	-168.2	175	0	0	0	108.8	W283 R285 P287 Y295 A325 L326	W283-H314 WeakPolarHBondContact CA-NE2 3.35Å; R285-H314 PolarHBondContact O-CE1 3.31Å; P287-H314 HydrophobicContact CB-CB 4.31Å; P287-H314 HydrophobicContact CG-CB 4.34Å; Y295-H314 HydrophobicContact CE1-CB 4.44Å; Y295-H314 AromaticContact CE1-ND1 3.99Å; Y295-H314 AromaticContact CZ-ND1 3.94Å; Y295-H314 PolarHBondContact OH-ND1 3.02Å; H314-A325 WeakPolarHBondContact CA-O 3.33Å; H314-L326 HydrophobicContact CB-CD2 3.55Å
315	F	96.2	Very high	92.8	Very high	16 Å²	16	59.7 Å²	59.7	7%	0.07	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	155	174.4	63	-82.6	0	0	0	112.9	K313 V317 F323 A325 L327 L403 K406	K313-F315 HydrophobicContact CG-CD1 4.2Å; F315-V317 HydrophobicContact CD2-CG2 3.99Å; F315-V317 HydrophobicContact CE2-CG2 3.97Å; F315-F323 AromaticContact CE2-CE2 3.86Å; F315-F323 HydrophobicContact CE2-CE2 3.86Å; F315-F323 HydrophobicContact CE2-CZ 4.36Å; F315-F323 HydrophobicContact CZ-CE2 4.44Å; F315-A325 HydrophobicContact CD1-CB 4.33Å; F315-A325 HydrophobicContact CE1-CB 3.75Å; F315-A325 HydrophobicContact CE2-CB 3.97Å; F315-A325 HydrophobicContact CZ-CB 3.56Å; F315-A325 PolarHBondContact N-O 2.93Å; F315-A325 VanDerWaalsContact N-O 3.13Å; F315-A325 PolarHBondContact O-N 2.57Å; F315-L327 HydrophobicContact CE1-CD1 3.7Å; F315-L327 HydrophobicContact CE1-CG 3.98Å; F315-L327 HydrophobicContact CZ-CD1 4.14Å; F315-L403 HydrophobicContact CZ-CD2 3.85Å; F315-K406 HydrophobicContact CD1-CB 3.97Å; F315-K406 HydrophobicContact CD1-CD 4.49Å; F315-K406 HydrophobicContact CD1-CG 3.8Å; F315-K406 HydrophobicContact CD2-CG 3.85Å; F315-K406 HydrophobicContact CE1-CB 3.53Å; F315-K406 HydrophobicContact CE1-CG 3.68Å; F315-K406 HydrophobicContact CE2-CB 4.36Å; F315-K406 HydrophobicContact CE2-CG 3.74Å; F315-K406 HydrophobicContact CG-CD 4.39Å; F315-K406 HydrophobicContact CG-CG 3.87Å; F315-K406 HydrophobicContact CZ-CB 3.74Å; F315-K406 HydrophobicContact CZ-CG 3.65Å
316	S	94.6	Very high	93.1	Very high	58 Å²	58	57.6 Å²	57.6	41%	0.406	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	161.1	160.5	58.2	0	0	0	0	111.3	E318 F323	S316-E318 PolarHBondContact OG-OE1 2.94Å; S316-F323 CarbonylContact C-O 3.53Å; S316-F323 WeakPolarHBondContact CA-O 3.24Å
317	V	93	Very high	93.4	Very high	30 Å²	30	48.7 Å²	48.7	18%	0.182	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.5	159.2	-179.6	0	0	0	0	106.7	F315 E322 F323	F315-V317 HydrophobicContact CD2-CG2 3.99Å; F315-V317 HydrophobicContact CE2-CG2 3.97Å; V317-E322 VanDerWaalsContact O-CA 3.31Å; V317-E322 WeakPolarHBondContact O-CA 3.4Å; V317-F323 HydrophobicContact CB-CD1 3.91Å; V317-F323 HydrophobicContact CB-CE1 3.66Å; V317-F323 HydrophobicContact CB-CG 4.45Å; V317-F323 HydrophobicContact CB-CZ 4.01Å; V317-F323 HydrophobicContact CG1-CD1 4.45Å; V317-F323 HydrophobicContact CG1-CE1 4.03Å; V317-F323 HydrophobicContact CG2-CD1 4.36Å; V317-F323 HydrophobicContact CG2-CE1 3.73Å; V317-F323 HydrophobicContact CG2-CE2 3.99Å; V317-F323 HydrophobicContact CG2-CZ 3.53Å; V317-F323 PolarHBondContact N-O 2.98Å; V317-F323 PolarHBondContact O-N 3.29Å
318	E	88.3	Confident	93.6	Very high	147 Å²	147	47.2 Å²	47.2	69%	0.687	25%	0.245	S	C	*	.			trans	-123.7	157.8	-174.6	-71.7	156.8	-147.3	0	0	110.1	S316	S316-E318 PolarHBondContact OG-OE1 2.94Å
319	G	83.9	Confident	93.6	Very high	51 Å²	51	44.6 Å²	44.6	53%	0.526	23%	0.231	S	C	.	.	S	Bend	trans	113.7	-134.1	-180	0	0	0	0	0	113.6	L321 E322	G319-L321 PolarHBondContact O-N 3.38Å; G319-L321 VanDerWaalsContact O-N 3.09Å; G319-E322 PolarHBondContact N-OE1 3.39Å; G319-E322 WeakPolarHBondContact O-CG 3.47Å
320	Q	78.6	Confident	93.6	Very high	218 Å²	218	44 Å²	44	100%	1.019	23%	0.229	S	C	*	.	S	Bend	trans	-65.5	-11.3	-176.9	-75	-170.5	-25.4	0	0	115
321	L	86.1	Confident	93.6	Very high	27 Å²	27	46.1 Å²	46.1	14%	0.141	24%	0.237	C	C	.	.	S	Bend	trans	-150.1	106.5	176	176.1	66.4	0	0	0	108	G319 F323 L381 V395 V398 I399	G319-L321 PolarHBondContact O-N 3.38Å; G319-L321 VanDerWaalsContact O-N 3.09Å; L321-F323 HydrophobicContact CD2-CD1 4.27Å; L321-F323 HydrophobicContact CD2-CE1 4.33Å; L321-F323 HydrophobicContact CG-CD1 4.16Å; L321-L381 HydrophobicContact CD1-CD2 3.69Å; L321-V395 HydrophobicContact CD1-CG1 3.56Å; L321-V395 HydrophobicContact CD2-CG1 3.61Å; L321-V395 HydrophobicContact CG-CG1 4.22Å; L321-V398 HydrophobicContact CD2-CB 4.1Å; L321-V398 HydrophobicContact CD2-CG1 3.89Å; L321-I399 HydrophobicContact CD2-CD1 4.4Å; L321-I399 HydrophobicContact CD2-CG1 3.71Å
322	E	90.2	Very high	93.4	Very high	108 Å²	108	52.2 Å²	52.2	51%	0.505	26%	0.256	S	S	.	.			trans	-98.1	123.1	-175.4	-51.9	-150.2	138.5	0	0	111	V317 G319 S378	V317-E322 VanDerWaalsContact O-CA 3.31Å; V317-E322 WeakPolarHBondContact O-CA 3.4Å; G319-E322 PolarHBondContact N-OE1 3.39Å; G319-E322 WeakPolarHBondContact O-CG 3.47Å; E322-S378 WeakPolarHBondContact O-CB 3.42Å; E322-S378 PolarHBondContact O-OG 3.39Å
323	F	93.3	Very high	93.2	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	156.2	176.7	71.8	-92.6	0	0	0	111.9	F315 S316 V317 L321 A325 V376 D377 I399 L403	F315-F323 AromaticContact CE2-CE2 3.86Å; F315-F323 HydrophobicContact CE2-CE2 3.86Å; F315-F323 HydrophobicContact CE2-CZ 4.36Å; F315-F323 HydrophobicContact CZ-CE2 4.44Å; S316-F323 CarbonylContact C-O 3.53Å; S316-F323 WeakPolarHBondContact CA-O 3.24Å; V317-F323 HydrophobicContact CB-CD1 3.91Å; V317-F323 HydrophobicContact CB-CE1 3.66Å; V317-F323 HydrophobicContact CB-CG 4.45Å; V317-F323 HydrophobicContact CB-CZ 4.01Å; V317-F323 HydrophobicContact CG1-CD1 4.45Å; V317-F323 HydrophobicContact CG1-CE1 4.03Å; V317-F323 HydrophobicContact CG2-CD1 4.36Å; V317-F323 HydrophobicContact CG2-CE1 3.73Å; V317-F323 HydrophobicContact CG2-CE2 3.99Å; V317-F323 HydrophobicContact CG2-CZ 3.53Å; V317-F323 PolarHBondContact N-O 2.98Å; V317-F323 PolarHBondContact O-N 3.29Å; L321-F323 HydrophobicContact CD2-CD1 4.27Å; L321-F323 HydrophobicContact CD2-CE1 4.33Å; L321-F323 HydrophobicContact CG-CD1 4.16Å; F323-A325 HydrophobicContact CD2-CB 4.32Å; F323-A325 HydrophobicContact CE2-CB 4.26Å; F323-V376 HydrophobicContact CB-CG1 4.28Å; F323-V376 HydrophobicContact CD2-CG1 3.69Å; F323-V376 HydrophobicContact CE2-CG1 4.26Å; F323-V376 HydrophobicContact CG-CG1 4.19Å; F323-D377 CarbonylContact C-O 3.53Å; F323-D377 VanDerWaalsContact CA-O 3.29Å; F323-D377 WeakPolarHBondContact CA-O 3.32Å; F323-D377 WeakPolarHBondContact CB-O 3.11Å; F323-I399 HydrophobicContact CD1-CG1 4.43Å; F323-I399 HydrophobicContact CE1-CG1 4.16Å; F323-I399 HydrophobicContact CZ-CG2 4.37Å; F323-L403 HydrophobicContact CE2-CD2 4.14Å
324	R	95.2	Very high	92.7	Very high	114 Å²	114	51.6 Å²	51.6	43%	0.43	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	147.6	172.2	-55.5	-171.3	-171.4	-176.1	7.1	109.4	W283 T284 D377	W283-R324 HydrophobicContact CB-CB 4.26Å; W283-R324 WeakPolarHBondContact O-CD 3.41Å; W283-R324 PolarHBondContact O-NH1 3.37Å; T284-R324 VanDerWaalsContact C-NH1 3.34Å; T284-R324 PolarHBondContact O-NH1 3.12Å; R324-D377 PolarHBondContact N-O 3.23Å; R324-D377 PolarHBondContact O-N 3.02Å
325	A	95.8	Very high	92.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	146	-174.5	0	0	0	0	0	113.2	H314 F315 F323 V375 V376	H314-A325 WeakPolarHBondContact CA-O 3.33Å; F315-A325 HydrophobicContact CD1-CB 4.33Å; F315-A325 HydrophobicContact CE1-CB 3.75Å; F315-A325 HydrophobicContact CE2-CB 3.97Å; F315-A325 HydrophobicContact CZ-CB 3.56Å; F315-A325 PolarHBondContact N-O 2.93Å; F315-A325 VanDerWaalsContact N-O 3.13Å; F315-A325 PolarHBondContact O-N 2.57Å; F323-A325 HydrophobicContact CD2-CB 4.32Å; F323-A325 HydrophobicContact CE2-CB 4.26Å; A325-V375 VanDerWaalsContact CA-O 3.27Å; A325-V375 WeakPolarHBondContact CA-O 3.39Å; A325-V376 HydrophobicContact CB-CG2 4.05Å
326	L	96.9	Very high	91.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118	167.8	-68	172.5	0	0	0	108.5	L282 W283 Y295 F298 H314 F328 G374 V375	L282-L326 HydrophobicContact CB-CD1 3.89Å; W283-L326 HydrophobicContact CB-CD1 4.15Å; W283-L326 HydrophobicContact CB-CG 4.11Å; W283-L326 HydrophobicContact CE3-CD1 4.17Å; Y295-L326 HydrophobicContact CD1-CD2 4.29Å; Y295-L326 HydrophobicContact CE1-CD2 3.72Å; F298-L326 HydrophobicContact CD1-CD1 4.34Å; F298-L326 HydrophobicContact CE1-CD1 3.83Å; F298-L326 HydrophobicContact CZ-CD1 3.97Å; H314-L326 HydrophobicContact CB-CD2 3.55Å; L326-F328 HydrophobicContact CB-CE2 3.69Å; L326-F328 HydrophobicContact CB-CZ 4.15Å; L326-F328 HydrophobicContact CD1-CZ 4.48Å; L326-G374 CarbonylContact O-C 3.58Å; L326-G374 WeakPolarHBondContact O-CA 3.46Å; L326-V375 PolarHBondContact N-O 3.27Å; L326-V375 PolarHBondContact O-N 3.1Å
327	L	96.8	Very high	91	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.1	175.9	-57.4	-179.4	0	0	0	109.6	V312 K313 F315 I348 V372 R373 L403 K406	V312-L327 CarbonylContact C-O 3.58Å; V312-L327 VanDerWaalsContact CA-O 3.3Å; V312-L327 WeakPolarHBondContact CA-O 3.4Å; K313-L327 HydrophobicContact CB-CB 4.48Å; K313-L327 PolarHBondContact N-O 3.1Å; K313-L327 PolarHBondContact O-N 2.67Å; F315-L327 HydrophobicContact CE1-CD1 3.7Å; F315-L327 HydrophobicContact CE1-CG 3.98Å; F315-L327 HydrophobicContact CZ-CD1 4.14Å; L327-I348 HydrophobicContact CD2-CD1 3.53Å; L327-I348 HydrophobicContact CD2-CG1 4.17Å; L327-V372 HydrophobicContact CB-CG1 4.06Å; L327-V372 HydrophobicContact CD2-CG1 4.25Å; L327-R373 CarbonylContact C-O 3.41Å; L327-L403 HydrophobicContact CD1-CD2 4.47Å; L327-L403 HydrophobicContact CD2-CD2 4.49Å; L327-K406 HydrophobicContact CD1-CB 4.36Å
328	F	97.4	Very high	90.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.3	-175.8	-61.6	-89.8	0	0	0	110.7	F298 Y299 L302 H309 A311 V312 L326 R373	F298-F328 AromaticContact CD1-CE2 3.92Å; F298-F328 HydrophobicContact CD1-CE2 3.92Å; F298-F328 AromaticContact CD1-CZ 3.64Å; F298-F328 HydrophobicContact CD1-CZ 3.64Å; F298-F328 AromaticContact CE1-CE2 3.81Å; F298-F328 HydrophobicContact CE1-CE2 3.81Å; F298-F328 AromaticContact CE1-CZ 3.98Å; F298-F328 HydrophobicContact CE1-CZ 3.98Å; Y299-F328 HydrophobicContact CD2-CB 3.65Å; Y299-F328 AromaticContact CD2-CD1 3.91Å; Y299-F328 HydrophobicContact CD2-CD1 3.91Å; Y299-F328 HydrophobicContact CD2-CD2 4.36Å; Y299-F328 AromaticContact CD2-CG 3.73Å; Y299-F328 HydrophobicContact CD2-CG 3.73Å; Y299-F328 HydrophobicContact CE2-CB 4Å; Y299-F328 HydrophobicContact CG-CD1 4.29Å; L302-F328 HydrophobicContact CD2-CD2 4.5Å; L302-F328 HydrophobicContact CD2-CE2 4.39Å; H309-F328 HydrophobicContact CB-CB 4.3Å; H309-F328 HydrophobicContact CB-CD1 3.92Å; H309-F328 AromaticContact CD2-CD1 3.38Å; H309-F328 WeakPolarHBondContact CD2-CD1 3.47Å; H309-F328 AromaticContact CD2-CE1 3.54Å; H309-F328 AromaticContact CG-CD1 3.74Å; A311-F328 WeakPolarHBondContact O-CA 3.26Å; V312-F328 HydrophobicContact CB-CD1 3.74Å; V312-F328 HydrophobicContact CB-CE1 3.8Å; V312-F328 HydrophobicContact CG2-CD1 3.63Å; V312-F328 HydrophobicContact CG2-CE1 3.33Å; V312-F328 HydrophobicContact CG2-CG 4.39Å; V312-F328 HydrophobicContact CG2-CZ 3.85Å; L326-F328 HydrophobicContact CB-CE2 3.69Å; L326-F328 HydrophobicContact CB-CZ 4.15Å; L326-F328 HydrophobicContact CD1-CZ 4.48Å; F328-R373 HydrophobicContact CB-CB 4.23Å; F328-R373 PolarHBondContact N-O 2.97Å; F328-R373 PolarHBondContact O-N 3.01Å
329	V	97.1	Very high	89.8	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.4	168.7	176.4	0	0	0	0	108	L310 A311 F371 L410 F411 I414 F424 F428	L310-V329 HydrophobicContact CB-CB 4.48Å; L310-V329 HydrophobicContact CB-CG1 4.2Å; L310-V329 WeakPolarHBondContact CB-O 3.34Å; L310-V329 HydrophobicContact CD2-CG1 4.21Å; L310-V329 PolarHBondContact N-O 3.03Å; A311-V329 PolarHBondContact O-N 3.12Å; V329-F371 HydrophobicContact CG1-CE2 4.35Å; V329-L410 HydrophobicContact CG2-CD2 3.74Å; V329-F411 HydrophobicContact CG2-CD1 4.4Å; V329-F411 HydrophobicContact CG2-CE1 3.8Å; V329-I414 HydrophobicContact CG2-CD1 4.19Å; V329-F424 HydrophobicContact CG1-CD2 3.75Å; V329-F424 HydrophobicContact CG1-CE2 3.87Å; V329-F428 HydrophobicContact CG1-CD2 4.37Å; V329-F428 HydrophobicContact CG1-CE2 4.04Å
330	P	96.3	Very high	88.9	Confident	4 Å²	4	60.1 Å²	60.1	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	151.5	175.6	24.6	-30.2	0	0	0	111.6	Y299 R332 F428	Y299-P330 WeakPolarHBondContact OH-CB 3.33Å; P330-R332 PolarHBondContact O-N 3.38Å; P330-F428 HydrophobicContact CG-CE1 4.42Å; P330-F428 HydrophobicContact CG-CZ 3.86Å; P330-F428 WeakPolarHBondContact O-CE2 3.18Å
331	K	95.9	Very high	87.8	Confident	72 Å²	72	56.7 Å²	56.7	31%	0.313	29%	0.291	S	S	.	.	S	Bend	trans	-67.6	-20.9	176.5	-78.1	177.2	-171.7	176.4	0	113.9	E307 D308 H309 L310	E307-K331 HydrophobicContact CB-CD 4.39Å; D308-K331 WeakPolarHBondContact O-CD 3.3Å; D308-K331 WeakPolarHBondContact O-CE 3.39Å; D308-K331 WeakPolarHBondContact O-CG 3.3Å; D308-K331 IonicContact OD2-NZ 3.76Å; D308-K331 PolarHBondContact OD2-NZ 3.38Å; H309-K331 WeakPolarHBondContact O-CE 3.43Å; L310-K331 HydrophobicContact CB-CG 4Å; L310-K331 HydrophobicContact CD1-CG 4.41Å
332	R	94	Very high	86.2	Confident	143 Å²	143	67.3 Å²	67.3	54%	0.54	33%	0.329	S	S	.	.	S	Bend	trans	-134.5	148.4	-178.1	-54.6	-177.4	-169.7	-140.4	2.6	110.5	E307 P330	E307-R332 VanDerWaalsContact CD-NE 3.31Å; E307-R332 IonicContact OE1-CZ 3.25Å; E307-R332 IonicContact OE1-NE 2.9Å; E307-R332 PolarHBondContact OE1-NE 3.37Å; E307-R332 IonicContact OE1-NH2 2.77Å; E307-R332 PolarHBondContact OE1-NH2 2.9Å; E307-R332 IonicContact OE2-CZ 2.85Å; E307-R332 IonicContact OE2-NE 2.72Å; E307-R332 PolarHBondContact OE2-NE 3.12Å; E307-R332 IonicContact OE2-NH2 2.72Å; P330-R332 PolarHBondContact O-N 3.38Å
333	A	92.7	Very high	84.5	Confident	29 Å²	29	66.6 Å²	66.6	24%	0.24	32%	0.324	C	S	.	.			trans	-70.2	132.8	169.3	0	0	0	0	0	110.4	M337 Q427 F428	A333-M337 HydrophobicContact CB-CE 3.69Å; A333-M337 HydrophobicContact CB-SD 3.91Å; A333-Q427 HydrophobicContact CB-CB 4.39Å; A333-F428 HydrophobicContact CB-CE1 3.91Å; A333-F428 HydrophobicContact CB-CZ 4.41Å
334	P	86.9	Confident	82.7	Confident	34 Å²	34	73.6 Å²	73.6	22%	0.221	36%	0.355	C	S	.	.			trans	-57.1	139.9	168.1	-23.6	33.4	0	0	0	111	D336 M337	P334-D336 WeakPolarHBondContact CB-OD1 3.17Å; P334-D336 PolarHBondContact O-N 3.12Å; P334-M337 HydrophobicContact CB-CB 4.3Å; P334-M337 WeakPolarHBondContact O-CB 3.33Å; P334-M337 PolarHBondContact O-N 3.36Å
335	I	85.5	Confident	81	Confident	179 Å²	179	70.2 Å²	70.2	92%	0.918	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-35.2	179.7	-62.3	172.9	0	0	0	110.6	M337	I335-M337 PolarHBondContact O-N 3.4Å
336	D	84.1	Confident	79.4	Confident	57 Å²	57	70.9 Å²	70.9	31%	0.305	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	19.6	179.1	67.7	-21.5	0	0	0	114.2	P334 F338 E339 K343 R345	P334-D336 WeakPolarHBondContact CB-OD1 3.17Å; P334-D336 PolarHBondContact O-N 3.12Å; D336-F338 PolarHBondContact O-N 3.48Å; D336-E339 HydrophobicContact CB-CG 4.05Å; D336-E339 PolarHBondContact O-N 3.01Å; D336-K343 IonicContact OD2-NZ 3.03Å; D336-K343 PolarHBondContact OD2-NZ 3.48Å; D336-R345 PolarHBondContact O-NH2 3.23Å
337	M	83.2	Confident	78.9	Confident	11 Å²	11	73.1 Å²	73.1	5%	0.054	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.5	-178.5	-174.9	169.4	81.7	0	0	114.4	A333 P334 I335 R345 F371 F428	A333-M337 HydrophobicContact CB-CE 3.69Å; A333-M337 HydrophobicContact CB-SD 3.91Å; P334-M337 HydrophobicContact CB-CB 4.3Å; P334-M337 WeakPolarHBondContact O-CB 3.33Å; P334-M337 PolarHBondContact O-N 3.36Å; I335-M337 PolarHBondContact O-N 3.4Å; M337-R345 VanDerWaalsContact C-NH2 3.31Å; M337-R345 VanDerWaalsContact O-CZ 3.25Å; M337-R345 PolarHBondContact O-NH1 2.97Å; M337-R345 PolarHBondContact O-NH2 3.03Å; M337-F371 HydrophobicContact CG-CB 4.5Å; M337-F371 HydrophobicContact SD-CB 3.62Å; M337-F371 HydrophobicContact SD-CG 4.45Å; M337-F428 HydrophobicContact CE-CD1 4.08Å; M337-F428 HydrophobicContact CE-CE1 4.4Å; M337-F428 HydrophobicContact SD-CD1 3.88Å; M337-F428 HydrophobicContact SD-CE1 3.82Å
338	F	80.5	Confident	78.6	Confident	109 Å²	109	73.2 Å²	73.2	48%	0.478	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	12.5	179.5	-65.6	-63.3	0	0	0	114.5	D336 K430	D336-F338 PolarHBondContact O-N 3.48Å; F338-K430 HydrophobicContact CE2-CB 3.99Å; F338-K430 HydrophobicContact CE2-CD 4.23Å; F338-K430 HydrophobicContact CZ-CB 3.8Å
339	E	75.7	Confident	78.2	Confident	97 Å²	97	76.1 Å²	76.1	45%	0.453	37%	0.372	S	S	.	.			trans	-60.3	146	164.8	-68.8	-178.5	178.7	0	0	109.9	D336 K343 R345	D336-E339 HydrophobicContact CB-CG 4.05Å; D336-E339 PolarHBondContact O-N 3.01Å; E339-K343 IonicContact OE1-NZ 2.94Å; E339-K343 VanDerWaalsContact OE2-CE 3.27Å; E339-K343 WeakPolarHBondContact OE2-CE 3.46Å; E339-K343 IonicContact OE2-NZ 3.64Å; E339-K343 PolarHBondContact OE2-NZ 2.86Å; E339-R345 VanDerWaalsContact O-CZ 3.28Å; E339-R345 PolarHBondContact O-NH1 3.01Å; E339-R345 VanDerWaalsContact O-NH1 3.15Å; E339-R345 PolarHBondContact O-NH2 2.77Å
340	G	63.5	Low	77.8	Confident	54 Å²	54	76.1 Å²	76.1	56%	0.557	37%	0.372	S	S	*	.			trans	-67.6	-178.9	-175.4	0	0	0	0	0	114.6	R342	G340-R342 PolarHBondContact O-N 2.9Å
341	T	55.5	Low	77.5	Confident	147 Å²	147	76.2 Å²	76.2	90%	0.902	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	6.4	-176.3	47.9	0	0	0	0	117.9
342	R	52.6	Low	77.1	Confident	250 Å²	250	73.1 Å²	73.1	94%	0.943	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-21.6	177.5	-66.5	-176.4	175.8	-176.9	-2.6	113.8	G340	G340-R342 PolarHBondContact O-N 2.9Å
343	K	55.5	Low	76.6	Confident	93 Å²	93	68.3 Å²	68.3	40%	0.404	34%	0.341	S	S	.	.	S	Bend	trans	-102.3	121	171	-74.8	173	174.7	167.7	0	108.9	D336 E339 R345	D336-K343 IonicContact OD2-NZ 3.03Å; D336-K343 PolarHBondContact OD2-NZ 3.48Å; E339-K343 IonicContact OE1-NZ 2.94Å; E339-K343 VanDerWaalsContact OE2-CE 3.27Å; E339-K343 WeakPolarHBondContact OE2-CE 3.46Å; E339-K343 IonicContact OE2-NZ 3.64Å; E339-K343 PolarHBondContact OE2-NZ 2.86Å; K343-R345 PolarHBondContact O-N 3.1Å
344	K	55.6	Low	76.2	Confident	153 Å²	153	68.3 Å²	68.3	67%	0.665	33%	0.334	S	S	*	.			trans	-63.8	97.8	173.8	-72.2	-173.8	174.2	-174.7	0	110.1	S346 T360	K344-S346 PolarHBondContact O-N 2.86Å; K344-T360 HydrophobicContact CB-CG2 3.72Å; K344-T360 HydrophobicContact CD-CG2 4.16Å
345	R	59.2	Low	76.1	Confident	42 Å²	42	66.9 Å²	66.9	16%	0.158	33%	0.325	C	S	.	.			trans	-87.2	106.4	178.5	-71.5	-175.1	178.2	128.9	12.2	110.7	D336 M337 E339 K343 E367	D336-R345 PolarHBondContact O-NH2 3.23Å; M337-R345 VanDerWaalsContact C-NH2 3.31Å; M337-R345 VanDerWaalsContact O-CZ 3.25Å; M337-R345 PolarHBondContact O-NH1 2.97Å; M337-R345 PolarHBondContact O-NH2 3.03Å; E339-R345 VanDerWaalsContact O-CZ 3.28Å; E339-R345 PolarHBondContact O-NH1 3.01Å; E339-R345 VanDerWaalsContact O-NH1 3.15Å; E339-R345 PolarHBondContact O-NH2 2.77Å; K343-R345 PolarHBondContact O-N 3.1Å; R345-E367 IonicContact CZ-OE1 2.62Å; R345-E367 IonicContact NE-OE1 2.79Å; R345-E367 IonicContact NH1-OE1 2.69Å; R345-E367 PolarHBondContact NH1-OE1 2.84Å
346	S	62.6	Low	76.1	Confident	15 Å²	15	58.6 Å²	58.6	11%	0.105	28%	0.283	C	S	.	.			trans	-131.5	126.8	131.7	67.2	0	0	0	0	110.9	K344 I348 D359 T360 C361	K344-S346 PolarHBondContact O-N 2.86Å; S346-I348 VanDerWaalsContact C-N 3.33Å; S346-I348 PolarHBondContact OG-O 2.91Å; S346-D359 VanDerWaalsContact OG-C 3.31Å; S346-D359 PolarHBondContact OG-O 3.44Å; S346-T360 WeakPolarHBondContact OG-CA 3.19Å; S346-T360 PolarHBondContact OG-N 2.96Å; S346-C361 PolarHBondContact OG-N 3.19Å
347	N	85.2	Confident	76	Confident	46 Å²	46	56.6 Å²	56.6	25%	0.246	27%	0.272	C	S	.	.	S	Bend	trans	-93.3	-3.3	178.6	-78.2	-55.9	0	0	0	112	S370 V372 R373 G374	N347-S370 PolarHBondContact ND2-O 3.07Å; N347-V372 WeakPolarHBondContact CB-O 3.27Å; N347-R373 PolarHBondContact ND2-NH1 3.22Å; N347-R373 CarbonylContact O-C 3.57Å; N347-R373 VanDerWaalsContact O-CA 3.28Å; N347-R373 WeakPolarHBondContact O-CA 3.35Å; N347-R373 PolarHBondContact OD1-NE 2.83Å; N347-R373 PolarHBondContact OD1-NH1 2.67Å; N347-R373 PolarHBondContact OD1-NH2 3.49Å; N347-R373 VanDerWaalsContact OD1-NH2 3.16Å; N347-G374 PolarHBondContact O-N 2.99Å
348	I	90.6	Very high	75.9	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.6	167.4	-60.1	173.9	0	0	0	107.6	L327 S346 M364 I365 V372 G374 V376 L403	L327-I348 HydrophobicContact CD2-CD1 3.53Å; L327-I348 HydrophobicContact CD2-CG1 4.17Å; S346-I348 VanDerWaalsContact C-N 3.33Å; S346-I348 PolarHBondContact OG-O 2.91Å; I348-M364 HydrophobicContact CB-CE 4.5Å; I348-M364 HydrophobicContact CG2-CE 3.69Å; I348-I365 HydrophobicContact CD1-CD1 3.62Å; I348-V372 HydrophobicContact CD1-CG1 4.33Å; I348-G374 WeakPolarHBondContact CA-O 3.3Å; I348-V376 HydrophobicContact CG2-CG2 3.84Å; I348-L403 HydrophobicContact CD1-CD1 3.95Å
349	K	89.3	Confident	75.7	Confident	62 Å²	62	55 Å²	55	27%	0.27	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	138.8	176.1	-66.7	173.9	-175.3	167.4	0	110.6	L302 Y351 L356 D359 G374 V375 V376	L302-K349 HydrophobicContact CD1-CD 4.09Å; L302-K349 PolarHBondContact O-NZ 3.42Å; K349-Y351 HydrophobicContact CB-CD2 4.2Å; K349-Y351 HydrophobicContact CB-CE2 3.56Å; K349-Y351 HydrophobicContact CD-CE2 4.29Å; K349-L356 HydrophobicContact CB-CD1 3.97Å; K349-L356 HydrophobicContact CD-CD1 4.44Å; K349-L356 HydrophobicContact CG-CD1 4.4Å; K349-D359 HydrophobicContact CG-CB 4.45Å; K349-G374 PolarHBondContact N-O 3.3Å; K349-V375 WeakPolarHBondContact O-CA 3.45Å; K349-V376 PolarHBondContact O-N 3.4Å
350	L	89.9	Confident	75.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	120.2	174.8	-176.6	66.7	0	0	0	110.8	I357 M358 M364 V376 L381 L390	L350-I357 PolarHBondContact O-N 2.74Å; L350-M358 HydrophobicContact CB-CB 4.2Å; L350-M358 HydrophobicContact CD2-CG 4.46Å; L350-M358 HydrophobicContact CD2-SD 4.35Å; L350-M358 PolarHBondContact N-O 2.9Å; L350-M358 PolarHBondContact O-N 3.38Å; L350-M364 HydrophobicContact CB-CE 4.44Å; L350-M364 HydrophobicContact CB-SD 3.94Å; L350-M364 HydrophobicContact CD1-CE 4.42Å; L350-M364 HydrophobicContact CD1-SD 4.47Å; L350-V376 HydrophobicContact CD1-CB 4.11Å; L350-V376 HydrophobicContact CD1-CG1 3.85Å; L350-L381 HydrophobicContact CD1-CD1 3.95Å; L350-L381 HydrophobicContact CD2-CD1 4.24Å; L350-L381 HydrophobicContact CG-CD1 4.46Å; L350-L390 HydrophobicContact CD2-CD1 3.82Å; L350-L390 HydrophobicContact CD2-CD2 4.43Å; L350-L390 HydrophobicContact CD2-CG 4.12Å
351	Y	89.8	Confident	75.6	Confident	5 Å²	5	50.7 Å²	50.7	2%	0.02	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	152.9	171.8	-67.5	-100.2	0	0	0	110	F207 K349 R354 V355 L356 V375 V376 D377 S378	F207-Y351 HydrophobicContact CD2-CD1 4.23Å; F207-Y351 AromaticContact CD2-CE1 3.62Å; F207-Y351 HydrophobicContact CD2-CE1 3.62Å; F207-Y351 AromaticContact CD2-CZ 3.87Å; F207-Y351 HydrophobicContact CE2-CE1 4.01Å; F207-Y351 HydrophobicContact CE2-CE2 4.37Å; F207-Y351 AromaticContact CE2-CZ 3.75Å; K349-Y351 HydrophobicContact CB-CD2 4.2Å; K349-Y351 HydrophobicContact CB-CE2 3.56Å; K349-Y351 HydrophobicContact CD-CE2 4.29Å; Y351-R354 WeakPolarHBondContact CD1-O 3.47Å; Y351-V355 CarbonylContact C-O 3.15Å; Y351-V355 WeakPolarHBondContact CA-O 3.1Å; Y351-V355 VanDerWaalsContact CD1-C 3.42Å; Y351-L356 HydrophobicContact CD1-CB 4.08Å; Y351-L356 VanDerWaalsContact CD1-N 3.34Å; Y351-L356 HydrophobicContact CD2-CD1 4.33Å; Y351-L356 HydrophobicContact CE1-CB 3.65Å; Y351-L356 HydrophobicContact CE1-CD1 4.06Å; Y351-L356 HydrophobicContact CE1-CG 4.45Å; Y351-L356 HydrophobicContact CE2-CD1 3.89Å; Y351-V375 HydrophobicContact CD2-CG1 3.7Å; Y351-V375 HydrophobicContact CE2-CG1 4.09Å; Y351-V375 HydrophobicContact CE2-CG2 4.08Å; Y351-V376 PolarHBondContact N-O 2.79Å; Y351-D377 VanDerWaalsContact C-OD1 3.3Å; Y351-D377 WeakPolarHBondContact CB-OD1 3.42Å; Y351-D377 WeakPolarHBondContact O-CA 3.49Å; Y351-S378 PolarHBondContact O-N 3.48Å
352	V	87.2	Confident	76.4	Confident	8 Å²	8	49.8 Å²	49.8	5%	0.048	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.1	167.6	170.7	0	0	0	0	107.8	R354 V355 I357 D377 S378 L381 L383	V352-R354 PolarHBondContact O-N 3.01Å; V352-V355 PolarHBondContact N-O 3.35Å; V352-V355 PolarHBondContact O-N 3.36Å; V352-I357 HydrophobicContact CB-CD1 4.07Å; V352-I357 HydrophobicContact CB-CG1 3.68Å; V352-I357 HydrophobicContact CG2-CG1 3.72Å; V352-D377 PolarHBondContact N-OD1 2.96Å; V352-S378 CarbonylContact C-O 3.51Å; V352-S378 VanDerWaalsContact CA-O 3.24Å; V352-S378 WeakPolarHBondContact CA-O 3.42Å; V352-L381 HydrophobicContact CG1-CB 4.49Å; V352-L381 HydrophobicContact CG2-CB 3.65Å; V352-L381 HydrophobicContact CG2-CD1 3.69Å; V352-L381 HydrophobicContact CG2-CG 4.14Å; V352-L383 HydrophobicContact CB-CD1 4.43Å; V352-L383 HydrophobicContact CB-CD2 4.26Å; V352-L383 HydrophobicContact CG1-CD1 4.09Å; V352-L383 HydrophobicContact CG1-CD2 4.4Å; V352-L383 HydrophobicContact CG1-CG 4.32Å; V352-L383 HydrophobicContact CG2-CD2 3.94Å
353	R	83.4	Confident	77.6	Confident	41 Å²	41	41.1 Å²	41.1	16%	0.155	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	39.4	-174.9	-50.1	-173.1	165.8	-132.7	-21.9	111.9	S123 M124 I125 V355 D377 S378 E379	S123-R353 WeakPolarHBondContact OG-CD 3.3Å; S123-R353 VanDerWaalsContact OG-CG 3.28Å; S123-R353 WeakPolarHBondContact OG-CG 3.4Å; S123-R353 PolarHBondContact OG-NE 3.42Å; S123-R353 PolarHBondContact OG-NH1 3.48Å; M124-R353 WeakPolarHBondContact O-CD 3.4Å; M124-R353 PolarHBondContact O-NH1 3.11Å; I125-R353 HydrophobicContact CG1-CB 4.07Å; R353-V355 VanDerWaalsContact C-N 3.25Å; R353-V355 PolarHBondContact O-N 3.27Å; R353-D377 PolarHBondContact N-OD1 3.29Å; R353-S378 PolarHBondContact N-O 2.93Å; R353-E379 WeakPolarHBondContact CG-OE2 3.41Å; R353-E379 VanDerWaalsContact CZ-O 3.23Å; R353-E379 PolarHBondContact NE-O 3.4Å; R353-E379 PolarHBondContact NH2-O 2.87Å
354	R	85.4	Confident	78.9	Confident	29 Å²	29	36.8 Å²	36.8	11%	0.109	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	6.8	-173.6	-61.5	159.9	-70.4	-67.8	-3.7	116.7	F207 W283 Y351 V352 D377 E379	F207-R354 HydrophobicContact CB-CB 4.03Å; F207-R354 WeakPolarHBondContact O-CB 3.48Å; W283-R354 HydrophobicContact CZ2-CG 4.1Å; Y351-R354 WeakPolarHBondContact CD1-O 3.47Å; V352-R354 PolarHBondContact O-N 3.01Å; R354-D377 VanDerWaalsContact CG-OD2 3.29Å; R354-D377 WeakPolarHBondContact CG-OD2 3.12Å; R354-D377 PolarHBondContact N-OD1 2.9Å; R354-D377 PolarHBondContact N-OD2 3.3Å; R354-E379 IonicContact CZ-OE1 2.64Å; R354-E379 IonicContact NH1-OE1 2.67Å; R354-E379 PolarHBondContact NH1-OE1 3.25Å; R354-E379 IonicContact NH2-OE1 3.1Å
355	V	83.1	Confident	80.5	Confident	5 Å²	5	30.2 Å²	30.2	3%	0.03	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.9	172.7	-179.1	0	0	0	0	110.5	R40 I125 I208 Y351 V352 R353 I357	R40-V355 HydrophobicContact CG-CG1 3.92Å; I125-V355 HydrophobicContact CD1-CG2 3.62Å; I125-V355 HydrophobicContact CG1-CG2 4.17Å; I125-V355 HydrophobicContact CG2-CG2 4.27Å; I208-V355 HydrophobicContact CD1-CG2 4.09Å; Y351-V355 CarbonylContact C-O 3.15Å; Y351-V355 WeakPolarHBondContact CA-O 3.1Å; Y351-V355 VanDerWaalsContact CD1-C 3.42Å; V352-V355 PolarHBondContact N-O 3.35Å; V352-V355 PolarHBondContact O-N 3.36Å; R353-V355 VanDerWaalsContact C-N 3.25Å; R353-V355 PolarHBondContact O-N 3.27Å; V355-I357 PolarHBondContact O-N 3.32Å
356	L	85.8	Confident	82	Confident	5 Å²	5	28.7 Å²	28.7	3%	0.026	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	129.2	178.1	-178.2	70.8	0	0	0	110.6	K203 K349 Y351 D359	K203-L356 HydrophobicContact CG-CD2 3.64Å; K203-L356 WeakPolarHBondContact O-CD2 3.49Å; K349-L356 HydrophobicContact CB-CD1 3.97Å; K349-L356 HydrophobicContact CD-CD1 4.44Å; K349-L356 HydrophobicContact CG-CD1 4.4Å; Y351-L356 HydrophobicContact CD1-CB 4.08Å; Y351-L356 VanDerWaalsContact CD1-N 3.34Å; Y351-L356 HydrophobicContact CD2-CD1 4.33Å; Y351-L356 HydrophobicContact CE1-CB 3.65Å; Y351-L356 HydrophobicContact CE1-CD1 4.06Å; Y351-L356 HydrophobicContact CE1-CG 4.45Å; Y351-L356 HydrophobicContact CE2-CD1 3.89Å; L356-D359 HydrophobicContact CD1-CB 4.46Å; L356-D359 HydrophobicContact CD2-CB 4.25Å
357	I	83.6	Confident	83.3	Confident	14 Å²	14	31.7 Å²	31.7	7%	0.072	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-48.9	176.6	-50.8	-58.3	0	0	0	110.6	L350 V352 V355 L383 R387	L350-I357 PolarHBondContact O-N 2.74Å; V352-I357 HydrophobicContact CB-CD1 4.07Å; V352-I357 HydrophobicContact CB-CG1 3.68Å; V352-I357 HydrophobicContact CG2-CG1 3.72Å; V355-I357 PolarHBondContact O-N 3.32Å; I357-L383 HydrophobicContact CB-CD2 4.36Å; I357-L383 HydrophobicContact CD1-CD1 3.84Å; I357-L383 HydrophobicContact CD1-CD2 3.81Å; I357-L383 HydrophobicContact CG1-CD2 3.81Å; I357-L383 HydrophobicContact CG2-CD2 3.63Å; I357-R387 HydrophobicContact CD1-CB 4.49Å
358	M	79.9	Confident	83.6	Confident	27 Å²	27	29.7 Å²	29.7	13%	0.133	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	122.3	-179.6	-54	-176.9	74	0	0	111	L350 C361 E388	L350-M358 HydrophobicContact CB-CB 4.2Å; L350-M358 HydrophobicContact CD2-CG 4.46Å; L350-M358 HydrophobicContact CD2-SD 4.35Å; L350-M358 PolarHBondContact N-O 2.9Å; L350-M358 PolarHBondContact O-N 3.38Å; M358-C361 HydrophobicContact CB-CB 4.45Å; M358-C361 HydrophobicContact CE-CB 4.1Å; M358-C361 HydrophobicContact SD-CB 4.42Å; M358-E388 WeakPolarHBondContact CG-O 3.5Å
359	D	76.4	Confident	83.8	Confident	61 Å²	61	29.7 Å²	29.7	33%	0.326	15%	0.146	S	C	.	.	S	Bend	trans	-99	-9.1	166.2	57.7	-6.3	0	0	0	113.2	K203 S346 K349 L356	K203-D359 WeakPolarHBondContact CE-OD2 3.31Å; K203-D359 IonicContact NZ-OD2 2.64Å; S346-D359 VanDerWaalsContact OG-C 3.31Å; S346-D359 PolarHBondContact OG-O 3.44Å; K349-D359 HydrophobicContact CG-CB 4.45Å; L356-D359 HydrophobicContact CD1-CB 4.46Å; L356-D359 HydrophobicContact CD2-CB 4.25Å
360	T	70.2	Confident	83.8	Confident	51 Å²	51	27.1 Å²	27.1	31%	0.313	14%	0.136	S	C	.	.			trans	-127.6	98.4	170.1	67.4	0	0	0	0	111.6	K344 S346	K344-T360 HydrophobicContact CB-CG2 3.72Å; K344-T360 HydrophobicContact CD-CG2 4.16Å; S346-T360 WeakPolarHBondContact OG-CA 3.19Å; S346-T360 PolarHBondContact OG-N 2.96Å
361	C	67.9	Low	83.9	Confident	8 Å²	8	27.3 Å²	27.3	5%	0.054	14%	0.137	C	C	.	.			trans	-131.3	91.3	173.2	-162.4	0	0	0	0	112	S346 M358 D363 M364	S346-C361 PolarHBondContact OG-N 3.19Å; M358-C361 HydrophobicContact CB-CB 4.45Å; M358-C361 HydrophobicContact CE-CB 4.1Å; M358-C361 HydrophobicContact SD-CB 4.42Å; C361-D363 PolarHBondContact O-N 3.3Å; C361-M364 HydrophobicContact CB-CB 4.3Å; C361-M364 HydrophobicContact CB-CG 3.91Å; C361-M364 HydrophobicContact CB-SD 3.79Å; C361-M364 PolarHBondContact O-N 3.22Å
362	E	71.4	Confident	84.1	Confident	129 Å²	129	27.1 Å²	27.1	60%	0.603	14%	0.136	S	C	*	.	G	3₁₀ helix	trans	-62.3	-26.2	178.6	-64.8	166	-165.3	0	0	112.4
363	D	77.1	Confident	84.4	Confident	68 Å²	68	28.8 Å²	28.8	36%	0.364	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-79.4	-12.7	179.3	-108.1	-29.8	0	0	0	114.3	C361 L396 R400	C361-D363 PolarHBondContact O-N 3.3Å; D363-L396 HydrophobicContact CB-CD1 4.28Å; D363-R400 WeakPolarHBondContact O-CD 3.49Å; D363-R400 IonicContact OD1-NH1 3.56Å
364	M	83.4	Confident	84.9	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-75.2	-28.7	-177.8	-87.2	179	68.2	0	0	114.2	I348 L350 C361 V376 L396 I399 R400 L403	I348-M364 HydrophobicContact CB-CE 4.5Å; I348-M364 HydrophobicContact CG2-CE 3.69Å; L350-M364 HydrophobicContact CB-CE 4.44Å; L350-M364 HydrophobicContact CB-SD 3.94Å; L350-M364 HydrophobicContact CD1-CE 4.42Å; L350-M364 HydrophobicContact CD1-SD 4.47Å; C361-M364 HydrophobicContact CB-CB 4.3Å; C361-M364 HydrophobicContact CB-CG 3.91Å; C361-M364 HydrophobicContact CB-SD 3.79Å; C361-M364 PolarHBondContact O-N 3.22Å; M364-V376 HydrophobicContact CE-CB 4Å; M364-V376 HydrophobicContact CE-CG2 3.73Å; M364-L396 HydrophobicContact CG-CD2 3.74Å; M364-L396 HydrophobicContact SD-CD2 4.39Å; M364-I399 HydrophobicContact CE-CG2 4.22Å; M364-R400 VanDerWaalsContact O-CA 3.24Å; M364-R400 WeakPolarHBondContact O-CA 3.16Å; M364-R400 WeakPolarHBondContact O-CB 3.33Å; M364-R400 WeakPolarHBondContact O-CG 3.1Å; M364-L403 HydrophobicContact CE-CD1 3.99Å
365	I	89.3	Confident	85.3	Confident	16 Å²	16	25.4 Å²	25.4	8%	0.082	13%	0.129	C	C	.	.	S	Bend	trans	-149.8	138.1	-174.8	-155.4	171.5	0	0	0	110	I348 L369 V372	I348-I365 HydrophobicContact CD1-CD1 3.62Å; I365-L369 HydrophobicContact CD1-CB 3.66Å; I365-L369 HydrophobicContact CD1-CD1 4.16Å; I365-L369 HydrophobicContact CG1-CB 3.75Å; I365-L369 HydrophobicContact CG1-CD1 4.03Å; I365-V372 HydrophobicContact CD1-CB 4.15Å
366	P	90.7	Very high	85.8	Confident	10 Å²	10	25.2 Å²	25.2	7%	0.065	13%	0.127	C	C	.	.			trans	-66	153.7	177.1	28.5	-36.7	0	0	0	112.1	Y368 L369 V404	P366-Y368 HydrophobicContact CB-CD1 3.6Å; P366-Y368 HydrophobicContact CB-CE1 3.58Å; P366-Y368 HydrophobicContact CG-CD1 3.72Å; P366-Y368 HydrophobicContact CG-CE1 3.31Å; P366-Y368 PolarHBondContact O-N 2.74Å; P366-L369 HydrophobicContact CG-CB 4.45Å; P366-L369 HydrophobicContact CG-CD1 3.95Å; P366-L369 HydrophobicContact CG-CG 4.12Å; P366-L369 PolarHBondContact O-N 3Å; P366-V404 HydrophobicContact CG-CG2 3.76Å
367	E	89	Confident	86.2	Confident	77 Å²	77	25.2 Å²	25.2	36%	0.36	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-59.3	-33.7	-175.3	-174	55	-143	0	0	112.8	R345 L369 S370	R345-E367 IonicContact CZ-OE1 2.62Å; R345-E367 IonicContact NE-OE1 2.79Å; R345-E367 IonicContact NH1-OE1 2.69Å; R345-E367 PolarHBondContact NH1-OE1 2.84Å; E367-L369 PolarHBondContact O-N 3.27Å; E367-S370 VanDerWaalsContact O-CB 3.25Å; E367-S370 WeakPolarHBondContact O-CB 3.43Å; E367-S370 PolarHBondContact O-N 3.26Å; E367-S370 PolarHBondContact O-OG 3.45Å; E367-S370 VanDerWaalsContact O-OG 3.06Å; E367-S370 WeakPolarHBondContact OE1-CB 3.47Å; E367-S370 PolarHBondContact OE1-OG 3.38Å
368	Y	92.7	Very high	86.5	Confident	4 Å²	4	24.6 Å²	24.6	2%	0.016	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-62.4	-8.8	174.3	83.3	-99.5	0	0	0	115	P366 F371 S431 G435 D439 L446	P366-Y368 HydrophobicContact CB-CD1 3.6Å; P366-Y368 HydrophobicContact CB-CE1 3.58Å; P366-Y368 HydrophobicContact CG-CD1 3.72Å; P366-Y368 HydrophobicContact CG-CE1 3.31Å; P366-Y368 PolarHBondContact O-N 2.74Å; Y368-F371 WeakPolarHBondContact O-CE1 3.45Å; Y368-S431 WeakPolarHBondContact CB-O 3.28Å; Y368-S431 WeakPolarHBondContact O-CB 3.34Å; Y368-G435 VanDerWaalsContact CD2-CA 3.48Å; Y368-D439 HydrophobicContact CD1-CB 4.43Å; Y368-D439 HydrophobicContact CE1-CB 3.58Å; Y368-D439 WeakPolarHBondContact CE1-OD2 3.21Å; Y368-D439 PolarHBondContact OH-OD2 2.95Å; Y368-L446 HydrophobicContact CE2-CD1 3.93Å; Y368-L446 HydrophobicContact CE2-CD2 4.17Å
369	L	93.9	Very high	86.7	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.01	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-117.2	11.3	172.8	-60.3	-179.7	0	0	0	112.7	I365 P366 E367 F371 V372 V404 C407 F411	I365-L369 HydrophobicContact CD1-CB 3.66Å; I365-L369 HydrophobicContact CD1-CD1 4.16Å; I365-L369 HydrophobicContact CG1-CB 3.75Å; I365-L369 HydrophobicContact CG1-CD1 4.03Å; P366-L369 HydrophobicContact CG-CB 4.45Å; P366-L369 HydrophobicContact CG-CD1 3.95Å; P366-L369 HydrophobicContact CG-CG 4.12Å; P366-L369 PolarHBondContact O-N 3Å; E367-L369 PolarHBondContact O-N 3.27Å; L369-F371 HydrophobicContact CD2-CE1 4.36Å; L369-F371 PolarHBondContact O-N 2.79Å; L369-V372 HydrophobicContact CB-CG2 4.37Å; L369-V372 WeakPolarHBondContact O-CB 3.39Å; L369-V372 WeakPolarHBondContact O-CG2 3.46Å; L369-V372 PolarHBondContact O-N 2.88Å; L369-V404 HydrophobicContact CD1-CB 4.4Å; L369-V404 HydrophobicContact CD1-CG1 4.42Å; L369-V404 HydrophobicContact CD1-CG2 3.95Å; L369-C407 HydrophobicContact CD1-CB 3.92Å; L369-C407 HydrophobicContact CD2-CB 4.4Å; L369-F411 HydrophobicContact CD2-CE2 3.5Å; L369-F411 HydrophobicContact CD2-CZ 3.77Å
370	S	90	Very high	86.8	Confident	9 Å²	9	30.1 Å²	30.1	6%	0.063	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-14.9	-175	70	0	0	0	0	114	N347 E367	N347-S370 PolarHBondContact ND2-O 3.07Å; E367-S370 VanDerWaalsContact O-CB 3.25Å; E367-S370 WeakPolarHBondContact O-CB 3.43Å; E367-S370 PolarHBondContact O-N 3.26Å; E367-S370 PolarHBondContact O-OG 3.45Å; E367-S370 VanDerWaalsContact O-OG 3.06Å; E367-S370 WeakPolarHBondContact OE1-CB 3.47Å; E367-S370 PolarHBondContact OE1-OG 3.38Å
371	F	92.1	Very high	87.4	Confident	3 Å²	3	28.2 Å²	28.2	1%	0.013	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-22.5	172.6	68.9	-90.3	0	0	0	114.5	V329 M337 Y368 L369 R373 F411 F424 F428	V329-F371 HydrophobicContact CG1-CE2 4.35Å; M337-F371 HydrophobicContact CG-CB 4.5Å; M337-F371 HydrophobicContact SD-CB 3.62Å; M337-F371 HydrophobicContact SD-CG 4.45Å; Y368-F371 WeakPolarHBondContact O-CE1 3.45Å; L369-F371 HydrophobicContact CD2-CE1 4.36Å; L369-F371 PolarHBondContact O-N 2.79Å; F371-R373 PolarHBondContact O-N 2.9Å; F371-R373 PolarHBondContact O-NH1 3.36Å; F371-F411 HydrophobicContact CE2-CE1 4.25Å; F371-F411 HydrophobicContact CE2-CZ 4.05Å; F371-F411 HydrophobicContact CZ-CE1 4.12Å; F371-F411 HydrophobicContact CZ-CE2 4.22Å; F371-F411 AromaticContact CZ-CZ 3.52Å; F371-F411 HydrophobicContact CZ-CZ 3.52Å; F371-F424 HydrophobicContact CE2-CE2 4.03Å; F371-F424 HydrophobicContact CZ-CE2 4.17Å; F371-F424 HydrophobicContact CZ-CZ 4.42Å; F371-F428 HydrophobicContact CB-CD1 3.9Å; F371-F428 HydrophobicContact CB-CE1 3.71Å; F371-F428 AromaticContact CD1-CD1 3.95Å; F371-F428 HydrophobicContact CD1-CD1 3.95Å; F371-F428 AromaticContact CD2-CD1 3.51Å; F371-F428 HydrophobicContact CD2-CD1 3.51Å; F371-F428 HydrophobicContact CD2-CD2 4.37Å; F371-F428 AromaticContact CD2-CE1 3.63Å; F371-F428 HydrophobicContact CD2-CE1 3.63Å; F371-F428 HydrophobicContact CD2-CE2 4.45Å; F371-F428 AromaticContact CD2-CG 3.93Å; F371-F428 HydrophobicContact CD2-CG 3.93Å; F371-F428 HydrophobicContact CD2-CZ 4.13Å; F371-F428 HydrophobicContact CE1-CB 4.33Å; F371-F428 HydrophobicContact CE1-CD1 4.32Å; F371-F428 HydrophobicContact CE1-CG 4.49Å; F371-F428 HydrophobicContact CE2-CB 4.31Å; F371-F428 AromaticContact CE2-CD1 3.94Å; F371-F428 HydrophobicContact CE2-CD1 3.94Å; F371-F428 HydrophobicContact CE2-CD2 4.23Å; F371-F428 HydrophobicContact CE2-CE1 4.38Å; F371-F428 AromaticContact CE2-CG 3.87Å; F371-F428 HydrophobicContact CE2-CG 3.87Å; F371-F428 AromaticContact CG-CD1 3.52Å; F371-F428 HydrophobicContact CG-CD1 3.52Å; F371-F428 AromaticContact CG-CE1 3.74Å; F371-F428 HydrophobicContact CG-CE1 3.74Å; F371-F428 HydrophobicContact CG-CG 4.27Å; F371-F428 HydrophobicContact CZ-CB 4.1Å; F371-F428 HydrophobicContact CZ-CD1 4.31Å; F371-F428 HydrophobicContact CZ-CG 4.15Å
372	V	94.2	Very high	87.9	Confident	2 Å²	2	30 Å²	30	1%	0.012	15%	0.151	C	C	.	.			trans	-66.3	124.2	-179.5	179.2	0	0	0	0	109.8	L327 N347 I348 I365 L369 F411	L327-V372 HydrophobicContact CB-CG1 4.06Å; L327-V372 HydrophobicContact CD2-CG1 4.25Å; N347-V372 WeakPolarHBondContact CB-O 3.27Å; I348-V372 HydrophobicContact CD1-CG1 4.33Å; I365-V372 HydrophobicContact CD1-CB 4.15Å; L369-V372 HydrophobicContact CB-CG2 4.37Å; L369-V372 WeakPolarHBondContact O-CB 3.39Å; L369-V372 WeakPolarHBondContact O-CG2 3.46Å; L369-V372 PolarHBondContact O-N 2.88Å; V372-F411 HydrophobicContact CG2-CZ 4.26Å
373	R	93.4	Very high	88.2	Confident	42 Å²	42	24.9 Å²	24.9	16%	0.158	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	149.9	175.8	-63.9	-75.1	176.1	-76.9	18.3	109.1	Y299 T303 L327 F328 N347 F371	Y299-R373 HydrophobicContact CE2-CB 4.22Å; Y299-R373 HydrophobicContact CE2-CG 4.26Å; T303-R373 HydrophobicContact CG2-CB 3.96Å; T303-R373 HydrophobicContact CG2-CG 3.87Å; L327-R373 CarbonylContact C-O 3.41Å; F328-R373 HydrophobicContact CB-CB 4.23Å; F328-R373 PolarHBondContact N-O 2.97Å; F328-R373 PolarHBondContact O-N 3.01Å; N347-R373 PolarHBondContact ND2-NH1 3.22Å; N347-R373 CarbonylContact O-C 3.57Å; N347-R373 VanDerWaalsContact O-CA 3.28Å; N347-R373 WeakPolarHBondContact O-CA 3.35Å; N347-R373 PolarHBondContact OD1-NE 2.83Å; N347-R373 PolarHBondContact OD1-NH1 2.67Å; N347-R373 PolarHBondContact OD1-NH2 3.49Å; N347-R373 VanDerWaalsContact OD1-NH2 3.16Å; F371-R373 PolarHBondContact O-N 2.9Å; F371-R373 PolarHBondContact O-NH1 3.36Å
374	G	93.9	Very high	88.3	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.2	-175.3	175.9	0	0	0	0	0	118.8	L326 N347 I348 K349	L326-G374 CarbonylContact O-C 3.58Å; L326-G374 WeakPolarHBondContact O-CA 3.46Å; N347-G374 PolarHBondContact O-N 2.99Å; I348-G374 WeakPolarHBondContact CA-O 3.3Å; K349-G374 PolarHBondContact N-O 3.3Å
375	V	93.9	Very high	88	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	138.6	174.6	169.2	0	0	0	0	108.8	W283 F298 L302 A325 L326 K349 Y351	W283-V375 HydrophobicContact CD2-CG1 4.18Å; W283-V375 HydrophobicContact CE3-CB 4.45Å; W283-V375 HydrophobicContact CE3-CG1 3.87Å; W283-V375 HydrophobicContact CH2-CG1 3.84Å; W283-V375 HydrophobicContact CZ2-CG1 4.17Å; W283-V375 HydrophobicContact CZ3-CB 4.35Å; W283-V375 HydrophobicContact CZ3-CG1 3.71Å; W283-V375 HydrophobicContact CZ3-CG2 4.38Å; F298-V375 HydrophobicContact CZ-CG2 4.15Å; L302-V375 HydrophobicContact CD1-CG2 3.78Å; L302-V375 HydrophobicContact CD2-CG2 4.02Å; A325-V375 VanDerWaalsContact CA-O 3.27Å; A325-V375 WeakPolarHBondContact CA-O 3.39Å; L326-V375 PolarHBondContact N-O 3.27Å; L326-V375 PolarHBondContact O-N 3.1Å; K349-V375 WeakPolarHBondContact O-CA 3.45Å; Y351-V375 HydrophobicContact CD2-CG1 3.7Å; Y351-V375 HydrophobicContact CE2-CG1 4.09Å; Y351-V375 HydrophobicContact CE2-CG2 4.08Å
376	V	93.8	Very high	87.4	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.3	163.8	174.6	0	0	0	0	107	F323 A325 I348 K349 L350 Y351 M364 I399 L403	F323-V376 HydrophobicContact CB-CG1 4.28Å; F323-V376 HydrophobicContact CD2-CG1 3.69Å; F323-V376 HydrophobicContact CE2-CG1 4.26Å; F323-V376 HydrophobicContact CG-CG1 4.19Å; A325-V376 HydrophobicContact CB-CG2 4.05Å; I348-V376 HydrophobicContact CG2-CG2 3.84Å; K349-V376 PolarHBondContact O-N 3.4Å; L350-V376 HydrophobicContact CD1-CB 4.11Å; L350-V376 HydrophobicContact CD1-CG1 3.85Å; Y351-V376 PolarHBondContact N-O 2.79Å; M364-V376 HydrophobicContact CE-CB 4Å; M364-V376 HydrophobicContact CE-CG2 3.73Å; V376-I399 HydrophobicContact CG1-CG2 4.41Å; V376-L403 HydrophobicContact CG2-CD1 4.14Å; V376-L403 HydrophobicContact CG2-CD2 3.85Å
377	D	92.8	Very high	86.8	Confident	5 Å²	5	26.8 Å²	26.8	3%	0.027	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.5	174.8	-170.5	27.4	0	0	0	109.8	W283 F323 R324 Y351 V352 R353 R354	W283-D377 HydrophobicContact CZ2-CB 3.99Å; W283-D377 PolarHBondContact NE1-OD2 3.29Å; F323-D377 CarbonylContact C-O 3.53Å; F323-D377 VanDerWaalsContact CA-O 3.29Å; F323-D377 WeakPolarHBondContact CA-O 3.32Å; F323-D377 WeakPolarHBondContact CB-O 3.11Å; R324-D377 PolarHBondContact N-O 3.23Å; R324-D377 PolarHBondContact O-N 3.02Å; Y351-D377 VanDerWaalsContact C-OD1 3.3Å; Y351-D377 WeakPolarHBondContact CB-OD1 3.42Å; Y351-D377 WeakPolarHBondContact O-CA 3.49Å; V352-D377 PolarHBondContact N-OD1 2.96Å; R353-D377 PolarHBondContact N-OD1 3.29Å; R354-D377 VanDerWaalsContact CG-OD2 3.29Å; R354-D377 WeakPolarHBondContact CG-OD2 3.12Å; R354-D377 PolarHBondContact N-OD1 2.9Å; R354-D377 PolarHBondContact N-OD2 3.3Å
378	S	90.1	Very high	86.3	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.007	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.2	-176.4	-179	0	0	0	0	110.4	E322 Y351 V352 R353	E322-S378 WeakPolarHBondContact O-CB 3.42Å; E322-S378 PolarHBondContact O-OG 3.39Å; Y351-S378 PolarHBondContact O-N 3.48Å; V352-S378 CarbonylContact C-O 3.51Å; V352-S378 VanDerWaalsContact CA-O 3.24Å; V352-S378 WeakPolarHBondContact CA-O 3.42Å; R353-S378 PolarHBondContact N-O 2.93Å
379	E	83.6	Confident	85.4	Confident	68 Å²	68	27.8 Å²	27.8	32%	0.318	15%	0.145	S	C	.	.	S	Bend	trans	-89	-16.5	-177.3	-60.8	-69.3	173.4	0	0	112.5	S123 R353 R354	S123-E379 WeakPolarHBondContact CB-OE2 3.4Å; S123-E379 PolarHBondContact OG-OE2 2.9Å; R353-E379 WeakPolarHBondContact CG-OE2 3.41Å; R353-E379 VanDerWaalsContact CZ-O 3.23Å; R353-E379 PolarHBondContact NE-O 3.4Å; R353-E379 PolarHBondContact NH2-O 2.87Å; R354-E379 IonicContact CZ-OE1 2.64Å; R354-E379 IonicContact NH1-OE1 2.67Å; R354-E379 PolarHBondContact NH1-OE1 3.25Å; R354-E379 IonicContact NH2-OE1 3.1Å
380	D	80.3	Confident	84.6	Confident	136 Å²	136	28 Å²	28	73%	0.727	15%	0.147	S	C	*	.	S	Bend	trans	-138.7	58.5	-172.1	-164.1	28.6	0	0	0	113.7
381	L	82.1	Confident	83.9	Confident	12 Å²	12	33.4 Å²	33.4	6%	0.063	17%	0.171	C	C	.	.			trans	-100.3	134	173	-82.3	-179.5	0	0	0	112	L321 L350 V352 L383 L390 V395 I399	L321-L381 HydrophobicContact CD1-CD2 3.69Å; L350-L381 HydrophobicContact CD1-CD1 3.95Å; L350-L381 HydrophobicContact CD2-CD1 4.24Å; L350-L381 HydrophobicContact CG-CD1 4.46Å; V352-L381 HydrophobicContact CG1-CB 4.49Å; V352-L381 HydrophobicContact CG2-CB 3.65Å; V352-L381 HydrophobicContact CG2-CD1 3.69Å; V352-L381 HydrophobicContact CG2-CG 4.14Å; L381-L383 PolarHBondContact O-N 2.88Å; L381-L390 HydrophobicContact CB-CD2 3.83Å; L381-L390 HydrophobicContact CD1-CD1 4.36Å; L381-L390 HydrophobicContact CD1-CD2 4.03Å; L381-L390 HydrophobicContact CD2-CD1 4.5Å; L381-L390 HydrophobicContact CD2-CD2 4.37Å; L381-L390 HydrophobicContact CG-CD2 4.3Å; L381-V395 HydrophobicContact CD2-CB 4.41Å; L381-V395 HydrophobicContact CD2-CG1 3.38Å; L381-I399 HydrophobicContact CD1-CD1 4.43Å
382	P	77.6	Confident	82.9	Confident	44 Å²	44	38.2 Å²	38.2	29%	0.286	19%	0.194	S	C	.	.			trans	-73.1	90.9	177.8	29.4	-34.5	0	0	0	111.3	Q391	P382-Q391 WeakPolarHBondContact O-CG 3.42Å; P382-Q391 PolarHBondContact O-N 3.14Å
383	L	78.9	Confident	82	Confident	23 Å²	23	42.3 Å²	42.3	12%	0.12	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-69.6	143.7	175.9	-62.5	-176.7	0	0	0	112.2	F128 V352 I357 L381 R387 L390 Q391	F128-L383 HydrophobicContact CZ-CB 4.42Å; V352-L383 HydrophobicContact CB-CD1 4.43Å; V352-L383 HydrophobicContact CB-CD2 4.26Å; V352-L383 HydrophobicContact CG1-CD1 4.09Å; V352-L383 HydrophobicContact CG1-CD2 4.4Å; V352-L383 HydrophobicContact CG1-CG 4.32Å; V352-L383 HydrophobicContact CG2-CD2 3.94Å; I357-L383 HydrophobicContact CB-CD2 4.36Å; I357-L383 HydrophobicContact CD1-CD1 3.84Å; I357-L383 HydrophobicContact CD1-CD2 3.81Å; I357-L383 HydrophobicContact CG1-CD2 3.81Å; I357-L383 HydrophobicContact CG2-CD2 3.63Å; L381-L383 PolarHBondContact O-N 2.88Å; L383-R387 HydrophobicContact CD1-CB 4.42Å; L383-R387 HydrophobicContact CD1-CG 4.13Å; L383-L390 HydrophobicContact CD2-CD2 4.06Å; L383-Q391 PolarHBondContact O-NE2 3.41Å
384	N	78	Confident	81.5	Confident	37 Å²	37	45.5 Å²	45.5	20%	0.198	24%	0.235	C	C	.	.			trans	-69.1	170.8	164.4	79.5	-23.3	0	0	0	111.2	F128 S386 R387 E388 V389 Q391	F128-N384 WeakPolarHBondContact CE2-O 3.42Å; N384-S386 VanDerWaalsContact C-N 3.26Å; N384-S386 PolarHBondContact ND2-OG 3.19Å; N384-S386 PolarHBondContact O-N 2.87Å; N384-S386 PolarHBondContact OD1-N 3.29Å; N384-S386 PolarHBondContact OD1-OG 3.2Å; N384-R387 PolarHBondContact O-N 3.03Å; N384-R387 VanDerWaalsContact O-N 3.16Å; N384-R387 WeakPolarHBondContact OD1-CA 3.42Å; N384-R387 PolarHBondContact OD1-N 2.65Å; N384-E388 PolarHBondContact OD1-N 3.02Å; N384-V389 VanDerWaalsContact CB-O 3.25Å; N384-V389 WeakPolarHBondContact CB-O 3.48Å; N384-V389 PolarHBondContact N-O 3.28Å; N384-V389 PolarHBondContact OD1-N 2.9Å; N384-V389 PolarHBondContact OD1-O 2.99Å; N384-Q391 HydrophobicContact CB-CG 4.33Å
385	I	77.5	Confident	81	Confident	75 Å²	75	46.5 Å²	46.5	39%	0.385	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.8	-177.8	-163.6	159	0	0	0	113.4	F31 V130	F31-I385 HydrophobicContact CD2-CD1 3.94Å; F31-I385 HydrophobicContact CD2-CG1 4.1Å; F31-I385 HydrophobicContact CD2-CG2 4.23Å; F31-I385 HydrophobicContact CE2-CD1 3.46Å; F31-I385 VanDerWaalsContact CE2-CD1 3.46Å; F31-I385 HydrophobicContact CE2-CG1 4.14Å; F31-I385 HydrophobicContact CG-CG2 4.39Å; F31-I385 HydrophobicContact CZ-CD1 4.18Å; V130-I385 HydrophobicContact CG2-CD1 4.36Å; V130-I385 HydrophobicContact CG2-CG1 4.03Å
386	S	77.1	Confident	80.6	Confident	5 Å²	5	47 Å²	47	4%	0.035	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-17.3	177.7	83.6	0	0	0	0	114.1	F31 R40 N384 E388	F31-S386 WeakPolarHBondContact O-CB 3.39Å; R40-S386 PolarHBondContact NH2-O 3.47Å; N384-S386 VanDerWaalsContact C-N 3.26Å; N384-S386 PolarHBondContact ND2-OG 3.19Å; N384-S386 PolarHBondContact O-N 2.87Å; N384-S386 PolarHBondContact OD1-N 3.29Å; N384-S386 PolarHBondContact OD1-OG 3.2Å; S386-E388 PolarHBondContact O-N 3.31Å; S386-E388 WeakPolarHBondContact OG-CB 3.48Å; S386-E388 WeakPolarHBondContact OG-CG 3.36Å; S386-E388 PolarHBondContact OG-N 2.81Å; S386-E388 PolarHBondContact OG-OE2 3.3Å
387	R	78.2	Confident	80.3	Confident	18 Å²	18	52 Å²	52	7%	0.068	27%	0.266	C	S	.	.	S	Bend	trans	59.1	28.1	-173.3	-54	167.7	168.4	-145	-25.4	113.4	R40 E41 I125 F128 I357 L383 N384	R40-R387 PolarHBondContact NH1-O 2.99Å; E41-R387 IonicContact OE2-NH1 3.75Å; I125-R387 PolarHBondContact O-NH1 3.42Å; I125-R387 VanDerWaalsContact O-NH1 3.14Å; I125-R387 PolarHBondContact O-NH2 3.16Å; F128-R387 HydrophobicContact CD2-CG 4.43Å; F128-R387 VanDerWaalsContact CD2-NE 3.28Å; F128-R387 HydrophobicContact CE2-CG 3.97Å; I357-R387 HydrophobicContact CD1-CB 4.49Å; L383-R387 HydrophobicContact CD1-CB 4.42Å; L383-R387 HydrophobicContact CD1-CG 4.13Å; N384-R387 PolarHBondContact O-N 3.03Å; N384-R387 VanDerWaalsContact O-N 3.16Å; N384-R387 WeakPolarHBondContact OD1-CA 3.42Å; N384-R387 PolarHBondContact OD1-N 2.65Å
388	E	77.3	Confident	80.1	Confident	34 Å²	34	55.3 Å²	55.3	16%	0.159	29%	0.286	C	S	.	.	S	Bend	trans	-109	-13.6	175.5	-57.8	170	150	0	0	111.9	S33 M358 N384 S386	S33-E388 PolarHBondContact N-OE2 3.44Å; S33-E388 VanDerWaalsContact OG-CD 3.23Å; S33-E388 PolarHBondContact OG-OE1 3.14Å; S33-E388 PolarHBondContact OG-OE2 2.81Å; M358-E388 WeakPolarHBondContact CG-O 3.5Å; N384-E388 PolarHBondContact OD1-N 3.02Å; S386-E388 PolarHBondContact O-N 3.31Å; S386-E388 WeakPolarHBondContact OG-CB 3.48Å; S386-E388 WeakPolarHBondContact OG-CG 3.36Å; S386-E388 PolarHBondContact OG-N 2.81Å; S386-E388 PolarHBondContact OG-OE2 3.3Å
389	V	75.1	Confident	80.2	Confident	67 Å²	67	55.2 Å²	55.2	41%	0.406	29%	0.286	S	S	.	.	S	Bend	trans	-145.9	147.1	-176.1	-162.5	0	0	0	0	110.9	N384	N384-V389 VanDerWaalsContact CB-O 3.25Å; N384-V389 WeakPolarHBondContact CB-O 3.48Å; N384-V389 PolarHBondContact N-O 3.28Å; N384-V389 PolarHBondContact OD1-N 2.9Å; N384-V389 PolarHBondContact OD1-O 2.99Å
390	L	76.5	Confident	80.6	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.042	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-75.4	144.4	169.1	-65.8	177.6	0	0	0	111.7	L350 L381 L383 Q392 L396	L350-L390 HydrophobicContact CD2-CD1 3.82Å; L350-L390 HydrophobicContact CD2-CD2 4.43Å; L350-L390 HydrophobicContact CD2-CG 4.12Å; L381-L390 HydrophobicContact CB-CD2 3.83Å; L381-L390 HydrophobicContact CD1-CD1 4.36Å; L381-L390 HydrophobicContact CD1-CD2 4.03Å; L381-L390 HydrophobicContact CD2-CD1 4.5Å; L381-L390 HydrophobicContact CD2-CD2 4.37Å; L381-L390 HydrophobicContact CG-CD2 4.3Å; L383-L390 HydrophobicContact CD2-CD2 4.06Å; L390-Q392 VanDerWaalsContact C-N 3.28Å; L390-Q392 PolarHBondContact O-N 3.45Å; L390-L396 HydrophobicContact CD1-CD1 4.47Å; L390-L396 HydrophobicContact CD1-CD2 3.56Å; L390-L396 HydrophobicContact CD1-CG 3.8Å
391	Q	74.8	Confident	81.2	Confident	122 Å²	122	57.3 Å²	57.3	57%	0.57	29%	0.285	S	S	*	.	S	Bend	trans	-70.2	-21.6	176.3	-62.1	-173.4	19.7	0	0	113.7	P382 L383 N384	P382-Q391 WeakPolarHBondContact O-CG 3.42Å; P382-Q391 PolarHBondContact O-N 3.14Å; L383-Q391 PolarHBondContact O-NE2 3.41Å; N384-Q391 HydrophobicContact CB-CG 4.33Å
392	Q	72.5	Confident	81.8	Confident	104 Å²	104	57.4 Å²	57.4	49%	0.486	29%	0.286	S	S	.	.			trans	-134	102.6	-169	-63.9	-168.6	18.6	0	0	113.7	L390 N394 V395	L390-Q392 VanDerWaalsContact C-N 3.28Å; L390-Q392 PolarHBondContact O-N 3.45Å; Q392-N394 PolarHBondContact O-N 3.15Å; Q392-V395 HydrophobicContact CB-CG2 4.03Å; Q392-V395 PolarHBondContact O-N 2.89Å
393	N	74.4	Confident	82.6	Confident	88 Å²	88	55.3 Å²	55.3	47%	0.471	27%	0.273	S	S	.	.	H	α-helix	trans	-61.6	-13.5	177.6	-59.5	18.7	0	0	0	113.9	V395 K397	N393-V395 VanDerWaalsContact C-N 3.33Å; N393-K397 WeakPolarHBondContact O-CG 3.37Å; N393-K397 PolarHBondContact O-N 2.94Å
394	N	82.2	Confident	83.4	Confident	108 Å²	108	54.6 Å²	54.6	58%	0.578	27%	0.269	S	S	*	.	H	α-helix	trans	-69.7	-30.2	173.7	-74.1	-18.7	0	0	0	112.5	Q392 K397 V398	Q392-N394 PolarHBondContact O-N 3.15Å; N394-K397 PolarHBondContact O-N 3.24Å; N394-K397 PolarHBondContact OD1-NZ 2.81Å; N394-V398 PolarHBondContact O-N 3.22Å
395	V	84.8	Confident	84.3	Confident	22 Å²	22	58.7 Å²	58.7	13%	0.133	28%	0.282	C	S	.	.	H	α-helix	trans	-68.9	-42.3	178.2	-171.7	0	0	0	0	110.5	L321 L381 Q392 N393 K397 V398 I399	L321-V395 HydrophobicContact CD1-CG1 3.56Å; L321-V395 HydrophobicContact CD2-CG1 3.61Å; L321-V395 HydrophobicContact CG-CG1 4.22Å; L381-V395 HydrophobicContact CD2-CB 4.41Å; L381-V395 HydrophobicContact CD2-CG1 3.38Å; Q392-V395 HydrophobicContact CB-CG2 4.03Å; Q392-V395 PolarHBondContact O-N 2.89Å; N393-V395 VanDerWaalsContact C-N 3.33Å; V395-K397 VanDerWaalsContact C-N 3.26Å; V395-K397 PolarHBondContact O-N 3.4Å; V395-V398 WeakPolarHBondContact O-CB 3.14Å; V395-V398 PolarHBondContact O-N 2.65Å; V395-I399 HydrophobicContact CG1-CD1 4.44Å; V395-I399 PolarHBondContact O-N 3.13Å
396	L	85.2	Confident	85.3	Confident	9 Å²	9	57 Å²	57	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-55.1	-38.9	172.3	-69.2	175.7	0	0	0	112.7	D363 M364 L390 V398 I399 R400	D363-L396 HydrophobicContact CB-CD1 4.28Å; M364-L396 HydrophobicContact CG-CD2 3.74Å; M364-L396 HydrophobicContact SD-CD2 4.39Å; L390-L396 HydrophobicContact CD1-CD1 4.47Å; L390-L396 HydrophobicContact CD1-CD2 3.56Å; L390-L396 HydrophobicContact CD1-CG 3.8Å; L396-V398 VanDerWaalsContact C-N 3.31Å; L396-V398 PolarHBondContact O-N 3.06Å; L396-I399 PolarHBondContact O-N 3.2Å; L396-R400 VanDerWaalsContact O-CB 3.32Å; L396-R400 WeakPolarHBondContact O-CB 3.13Å; L396-R400 PolarHBondContact O-N 3.45Å
397	K	87.1	Confident	86.2	Confident	106 Å²	106	56.9 Å²	56.9	46%	0.461	27%	0.271	S	S	.	.	H	α-helix	trans	-67	-29.6	176.7	-64.8	168.9	-167.6	165.6	0	113	N393 N394 V395 K401	N393-K397 WeakPolarHBondContact O-CG 3.37Å; N393-K397 PolarHBondContact O-N 2.94Å; N394-K397 PolarHBondContact O-N 3.24Å; N394-K397 PolarHBondContact OD1-NZ 2.81Å; V395-K397 VanDerWaalsContact C-N 3.26Å; V395-K397 PolarHBondContact O-N 3.4Å; K397-K401 WeakPolarHBondContact O-CG 3.21Å; K397-K401 PolarHBondContact O-N 3.36Å
398	V	89.5	Confident	87.1	Confident	74 Å²	74	56 Å²	56	45%	0.448	27%	0.268	S	S	.	.	H	α-helix	trans	-75	-44.7	174.2	177.8	0	0	0	0	110.4	L321 N394 V395 L396 K401 S402	L321-V398 HydrophobicContact CD2-CB 4.1Å; L321-V398 HydrophobicContact CD2-CG1 3.89Å; N394-V398 PolarHBondContact O-N 3.22Å; V395-V398 WeakPolarHBondContact O-CB 3.14Å; V395-V398 PolarHBondContact O-N 2.65Å; L396-V398 VanDerWaalsContact C-N 3.31Å; L396-V398 PolarHBondContact O-N 3.06Å; V398-K401 PolarHBondContact O-N 2.87Å; V398-S402 PolarHBondContact O-N 3.33Å
399	I	91.4	Very high	88.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-55.8	-55.6	172.7	-63.6	174.7	0	0	0	109.3	L321 F323 M364 V376 L381 V395 L396 K401 S402 L403	L321-I399 HydrophobicContact CD2-CD1 4.4Å; L321-I399 HydrophobicContact CD2-CG1 3.71Å; F323-I399 HydrophobicContact CD1-CG1 4.43Å; F323-I399 HydrophobicContact CE1-CG1 4.16Å; F323-I399 HydrophobicContact CZ-CG2 4.37Å; M364-I399 HydrophobicContact CE-CG2 4.22Å; V376-I399 HydrophobicContact CG1-CG2 4.41Å; L381-I399 HydrophobicContact CD1-CD1 4.43Å; V395-I399 HydrophobicContact CG1-CD1 4.44Å; V395-I399 PolarHBondContact O-N 3.13Å; L396-I399 PolarHBondContact O-N 3.2Å; I399-K401 VanDerWaalsContact C-N 3.34Å; I399-K401 PolarHBondContact O-N 3.12Å; I399-S402 CarbonylContact O-C 3.53Å; I399-S402 WeakPolarHBondContact O-CA 3.34Å; I399-S402 WeakPolarHBondContact O-CB 3.49Å; I399-S402 PolarHBondContact O-N 2.62Å; I399-L403 HydrophobicContact CG2-CD1 3.88Å; I399-L403 HydrophobicContact CG2-CD2 4.2Å; I399-L403 HydrophobicContact CG2-CG 3.83Å; I399-L403 WeakPolarHBondContact O-CG 3.38Å; I399-L403 PolarHBondContact O-N 2.78Å
400	R	92.4	Very high	89.2	Confident	86 Å²	86	53.5 Å²	53.5	33%	0.325	25%	0.252	S	S	.	.	H	α-helix	trans	-52.1	-45.3	179.8	176.5	163.2	162.9	-178	2.8	113.5	D363 M364 L396 S402 L403 V404	D363-R400 WeakPolarHBondContact O-CD 3.49Å; D363-R400 IonicContact OD1-NH1 3.56Å; M364-R400 VanDerWaalsContact O-CA 3.24Å; M364-R400 WeakPolarHBondContact O-CA 3.16Å; M364-R400 WeakPolarHBondContact O-CB 3.33Å; M364-R400 WeakPolarHBondContact O-CG 3.1Å; L396-R400 VanDerWaalsContact O-CB 3.32Å; L396-R400 WeakPolarHBondContact O-CB 3.13Å; L396-R400 PolarHBondContact O-N 3.45Å; R400-S402 VanDerWaalsContact C-N 3.3Å; R400-S402 PolarHBondContact O-N 2.66Å; R400-L403 PolarHBondContact O-N 2.67Å; R400-V404 HydrophobicContact CG-CG2 4.21Å; R400-V404 WeakPolarHBondContact O-CB 3.22Å; R400-V404 VanDerWaalsContact O-CG2 3.23Å; R400-V404 WeakPolarHBondContact O-CG2 3.2Å; R400-V404 PolarHBondContact O-N 2.73Å
401	K	93	Very high	90.2	Very high	162 Å²	162	53.2 Å²	53.2	70%	0.704	25%	0.25	S	S	*	.	H	α-helix	trans	-59.4	-41.4	176.1	-78.9	176.8	176.2	-176.8	0	112.1	K397 V398 I399 R405	K397-K401 WeakPolarHBondContact O-CG 3.21Å; K397-K401 PolarHBondContact O-N 3.36Å; V398-K401 PolarHBondContact O-N 2.87Å; I399-K401 VanDerWaalsContact C-N 3.34Å; I399-K401 PolarHBondContact O-N 3.12Å; K401-R405 WeakPolarHBondContact O-CB 3.35Å; K401-R405 PolarHBondContact O-N 3.18Å; K401-R405 VanDerWaalsContact O-N 3.15Å
402	S	94.3	Very high	91.3	Very high	13 Å²	13	50.3 Å²	50.3	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-71.2	-41.8	177.1	-68.5	0	0	0	0	112.5	V398 I399 R400 R405 K406	V398-S402 PolarHBondContact O-N 3.33Å; I399-S402 CarbonylContact O-C 3.53Å; I399-S402 WeakPolarHBondContact O-CA 3.34Å; I399-S402 WeakPolarHBondContact O-CB 3.49Å; I399-S402 PolarHBondContact O-N 2.62Å; R400-S402 VanDerWaalsContact C-N 3.3Å; R400-S402 PolarHBondContact O-N 2.66Å; S402-R405 PolarHBondContact O-N 2.67Å; S402-K406 WeakPolarHBondContact O-CG 3.46Å; S402-K406 PolarHBondContact O-N 3.15Å
403	L	95.2	Very high	92.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-49.1	175.7	-59	-167.9	0	0	0	111.4	F315 F323 L327 I348 M364 V376 I399 R400 R405 K406 C407	F315-L403 HydrophobicContact CZ-CD2 3.85Å; F323-L403 HydrophobicContact CE2-CD2 4.14Å; L327-L403 HydrophobicContact CD1-CD2 4.47Å; L327-L403 HydrophobicContact CD2-CD2 4.49Å; I348-L403 HydrophobicContact CD1-CD1 3.95Å; M364-L403 HydrophobicContact CE-CD1 3.99Å; V376-L403 HydrophobicContact CG2-CD1 4.14Å; V376-L403 HydrophobicContact CG2-CD2 3.85Å; I399-L403 HydrophobicContact CG2-CD1 3.88Å; I399-L403 HydrophobicContact CG2-CD2 4.2Å; I399-L403 HydrophobicContact CG2-CG 3.83Å; I399-L403 WeakPolarHBondContact O-CG 3.38Å; I399-L403 PolarHBondContact O-N 2.78Å; R400-L403 PolarHBondContact O-N 2.67Å; L403-R405 PolarHBondContact O-N 3.3Å; L403-K406 PolarHBondContact O-N 3.35Å; L403-K406 VanDerWaalsContact O-N 3.16Å; L403-C407 PolarHBondContact O-N 3.44Å; L403-C407 PolarHBondContact O-SG 3.47Å
404	V	96	Very high	93.5	Very high	8 Å²	8	45.6 Å²	45.6	5%	0.048	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-46.9	178.3	170.7	0	0	0	0	110.9	P366 L369 R400 K406 C407 I408 N442	P366-V404 HydrophobicContact CG-CG2 3.76Å; L369-V404 HydrophobicContact CD1-CB 4.4Å; L369-V404 HydrophobicContact CD1-CG1 4.42Å; L369-V404 HydrophobicContact CD1-CG2 3.95Å; R400-V404 HydrophobicContact CG-CG2 4.21Å; R400-V404 WeakPolarHBondContact O-CB 3.22Å; R400-V404 VanDerWaalsContact O-CG2 3.23Å; R400-V404 WeakPolarHBondContact O-CG2 3.2Å; R400-V404 PolarHBondContact O-N 2.73Å; V404-K406 PolarHBondContact O-N 3.28Å; V404-C407 PolarHBondContact O-N 3.21Å; V404-I408 HydrophobicContact CG1-CD1 3.8Å; V404-I408 WeakPolarHBondContact O-CG1 3.33Å; V404-I408 PolarHBondContact O-N 3.46Å; V404-N442 WeakPolarHBondContact CG1-ND2 3.24Å
405	R	96.4	Very high	94.2	Very high	124 Å²	124	41.9 Å²	41.9	47%	0.468	20%	0.196	S	C	.	.	H	α-helix	trans	-56.1	-48.1	174.8	175.7	178.1	59.6	165.4	-1.8	111.6	K401 S402 L403 I408 E409	K401-R405 WeakPolarHBondContact O-CB 3.35Å; K401-R405 PolarHBondContact O-N 3.18Å; K401-R405 VanDerWaalsContact O-N 3.15Å; S402-R405 PolarHBondContact O-N 2.67Å; L403-R405 PolarHBondContact O-N 3.3Å; R405-I408 PolarHBondContact O-N 3.43Å; R405-E409 WeakPolarHBondContact CG-OE1 3.26Å; R405-E409 WeakPolarHBondContact O-CG 3.44Å; R405-E409 PolarHBondContact O-N 2.77Å
406	K	97.2	Very high	94.7	Very high	40 Å²	40	49.1 Å²	49.1	17%	0.174	23%	0.229	C	C	.	.	H	α-helix	trans	-72.8	-26.4	-178.8	-68.7	-52.6	-165	-167.8	0	114.2	F315 L327 S402 L403 V404 E409 L410	F315-K406 HydrophobicContact CD1-CB 3.97Å; F315-K406 HydrophobicContact CD1-CD 4.49Å; F315-K406 HydrophobicContact CD1-CG 3.8Å; F315-K406 HydrophobicContact CD2-CG 3.85Å; F315-K406 HydrophobicContact CE1-CB 3.53Å; F315-K406 HydrophobicContact CE1-CG 3.68Å; F315-K406 HydrophobicContact CE2-CB 4.36Å; F315-K406 HydrophobicContact CE2-CG 3.74Å; F315-K406 HydrophobicContact CG-CD 4.39Å; F315-K406 HydrophobicContact CG-CG 3.87Å; F315-K406 HydrophobicContact CZ-CB 3.74Å; F315-K406 HydrophobicContact CZ-CG 3.65Å; L327-K406 HydrophobicContact CD1-CB 4.36Å; S402-K406 WeakPolarHBondContact O-CG 3.46Å; S402-K406 PolarHBondContact O-N 3.15Å; L403-K406 PolarHBondContact O-N 3.35Å; L403-K406 VanDerWaalsContact O-N 3.16Å; V404-K406 PolarHBondContact O-N 3.28Å; K406-E409 WeakPolarHBondContact CD-OE2 3.46Å; K406-E409 WeakPolarHBondContact CE-OE2 3.47Å; K406-E409 VanDerWaalsContact NZ-CD 3.25Å; K406-E409 IonicContact NZ-OE1 3.44Å; K406-E409 PolarHBondContact NZ-OE1 3.12Å; K406-E409 VanDerWaalsContact NZ-OE1 3.12Å; K406-E409 IonicContact NZ-OE2 2.65Å; K406-E409 PolarHBondContact NZ-OE2 2.92Å; K406-L410 WeakPolarHBondContact O-CB 3.46Å; K406-L410 PolarHBondContact O-N 2.94Å
407	C	97.4	Very high	95.1	Very high	1 Å²	1	52 Å²	52	1%	0.007	24%	0.244	C	C	.	.	H	α-helix	trans	-65.3	-44.9	167.6	-65.5	0	0	0	0	110.9	L369 L403 V404 L410 F411	L369-C407 HydrophobicContact CD1-CB 3.92Å; L369-C407 HydrophobicContact CD2-CB 4.4Å; L403-C407 PolarHBondContact O-N 3.44Å; L403-C407 PolarHBondContact O-SG 3.47Å; V404-C407 PolarHBondContact O-N 3.21Å; C407-L410 WeakPolarHBondContact O-CB 3.46Å; C407-L410 PolarHBondContact O-N 3.43Å; C407-F411 HydrophobicContact CB-CE2 4.28Å; C407-F411 HydrophobicContact CB-CZ 4.05Å; C407-F411 WeakPolarHBondContact O-CD1 3.27Å; C407-F411 WeakPolarHBondContact O-CD2 3.45Å; C407-F411 WeakPolarHBondContact O-CG 3.01Å; C407-F411 PolarHBondContact O-N 2.77Å
408	I	97.5	Very high	95.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-68.7	-42.3	-179.6	-63.1	162.3	0	0	0	111	V404 R405 L410 F411 E412 N442 K445 L446	V404-I408 HydrophobicContact CG1-CD1 3.8Å; V404-I408 WeakPolarHBondContact O-CG1 3.33Å; V404-I408 PolarHBondContact O-N 3.46Å; R405-I408 PolarHBondContact O-N 3.43Å; I408-L410 VanDerWaalsContact C-N 3.31Å; I408-L410 PolarHBondContact O-N 2.95Å; I408-F411 PolarHBondContact O-N 2.94Å; I408-F411 VanDerWaalsContact O-N 3.11Å; I408-E412 HydrophobicContact CG2-CG 4.37Å; I408-E412 WeakPolarHBondContact O-CB 3.25Å; I408-E412 VanDerWaalsContact O-CG 3.3Å; I408-E412 WeakPolarHBondContact O-CG 3.41Å; I408-E412 PolarHBondContact O-N 2.93Å; I408-N442 HydrophobicContact CD1-CB 3.62Å; I408-K445 HydrophobicContact CG2-CB 3.8Å; I408-K445 HydrophobicContact CG2-CD 4Å; I408-K445 HydrophobicContact CG2-CG 4.43Å; I408-L446 HydrophobicContact CD1-CD2 4.3Å; I408-L446 HydrophobicContact CG1-CD2 4.07Å
409	E	97.6	Very high	95.6	Very high	44 Å²	44	56.1 Å²	56.1	21%	0.206	26%	0.258	C	S	.	.	H	α-helix	trans	-56.8	-43.2	170.8	-71.5	174.9	-147.9	0	0	111.6	R405 K406 F411 E412 E413	R405-E409 WeakPolarHBondContact CG-OE1 3.26Å; R405-E409 WeakPolarHBondContact O-CG 3.44Å; R405-E409 PolarHBondContact O-N 2.77Å; K406-E409 WeakPolarHBondContact CD-OE2 3.46Å; K406-E409 WeakPolarHBondContact CE-OE2 3.47Å; K406-E409 VanDerWaalsContact NZ-CD 3.25Å; K406-E409 IonicContact NZ-OE1 3.44Å; K406-E409 PolarHBondContact NZ-OE1 3.12Å; K406-E409 VanDerWaalsContact NZ-OE1 3.12Å; K406-E409 IonicContact NZ-OE2 2.65Å; K406-E409 PolarHBondContact NZ-OE2 2.92Å; E409-F411 VanDerWaalsContact C-N 3.33Å; E409-F411 PolarHBondContact O-N 3.35Å; E409-E412 WeakPolarHBondContact O-CB 3.49Å; E409-E412 PolarHBondContact O-N 2.7Å; E409-E413 VanDerWaalsContact O-CG 3.32Å; E409-E413 WeakPolarHBondContact O-CG 3.46Å; E409-E413 PolarHBondContact O-N 3.01Å
410	L	97.7	Very high	95.8	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-36.8	174.7	179.5	62.7	0	0	0	112.3	A311 K313 V329 K406 C407 I408 E413 I414	A311-L410 HydrophobicContact CB-CD1 3.91Å; A311-L410 HydrophobicContact CB-CG 4.46Å; K313-L410 HydrophobicContact CB-CB 4.19Å; K313-L410 HydrophobicContact CB-CD1 4.09Å; K313-L410 HydrophobicContact CB-CD2 3.98Å; K313-L410 HydrophobicContact CB-CG 4.3Å; K313-L410 HydrophobicContact CD-CD1 4.47Å; K313-L410 HydrophobicContact CG-CB 4.44Å; V329-L410 HydrophobicContact CG2-CD2 3.74Å; K406-L410 WeakPolarHBondContact O-CB 3.46Å; K406-L410 PolarHBondContact O-N 2.94Å; C407-L410 WeakPolarHBondContact O-CB 3.46Å; C407-L410 PolarHBondContact O-N 3.43Å; I408-L410 VanDerWaalsContact C-N 3.31Å; I408-L410 PolarHBondContact O-N 2.95Å; L410-E413 PolarHBondContact O-N 2.95Å; L410-I414 HydrophobicContact CG-CD1 4.17Å; L410-I414 WeakPolarHBondContact O-CG1 3.23Å; L410-I414 PolarHBondContact O-N 3.4Å
411	F	98	Very high	96	Very high	2 Å²	2	55 Å²	55	1%	0.009	26%	0.257	C	S	.	.	H	α-helix	trans	-75.1	-31.2	177.4	-54.8	-20.1	0	0	0	112.7	V329 L369 F371 V372 C407 I408 E409 I414 A415 F424 L449	V329-F411 HydrophobicContact CG2-CD1 4.4Å; V329-F411 HydrophobicContact CG2-CE1 3.8Å; L369-F411 HydrophobicContact CD2-CE2 3.5Å; L369-F411 HydrophobicContact CD2-CZ 3.77Å; F371-F411 HydrophobicContact CE2-CE1 4.25Å; F371-F411 HydrophobicContact CE2-CZ 4.05Å; F371-F411 HydrophobicContact CZ-CE1 4.12Å; F371-F411 HydrophobicContact CZ-CE2 4.22Å; F371-F411 AromaticContact CZ-CZ 3.52Å; F371-F411 HydrophobicContact CZ-CZ 3.52Å; V372-F411 HydrophobicContact CG2-CZ 4.26Å; C407-F411 HydrophobicContact CB-CE2 4.28Å; C407-F411 HydrophobicContact CB-CZ 4.05Å; C407-F411 WeakPolarHBondContact O-CD1 3.27Å; C407-F411 WeakPolarHBondContact O-CD2 3.45Å; C407-F411 WeakPolarHBondContact O-CG 3.01Å; C407-F411 PolarHBondContact O-N 2.77Å; I408-F411 PolarHBondContact O-N 2.94Å; I408-F411 VanDerWaalsContact O-N 3.11Å; E409-F411 VanDerWaalsContact C-N 3.33Å; E409-F411 PolarHBondContact O-N 3.35Å; F411-I414 HydrophobicContact CD1-CD1 4.29Å; F411-A415 WeakPolarHBondContact O-CB 3.24Å; F411-A415 PolarHBondContact O-N 2.88Å; F411-A415 VanDerWaalsContact O-N 3.12Å; F411-F424 HydrophobicContact CB-CE1 4.11Å; F411-F424 HydrophobicContact CB-CZ 4.21Å; F411-F424 HydrophobicContact CD1-CE1 4.11Å; F411-F424 AromaticContact CD1-CE2 3.93Å; F411-F424 HydrophobicContact CD1-CE2 3.93Å; F411-F424 AromaticContact CD1-CZ 3.4Å; F411-F424 HydrophobicContact CD1-CZ 3.4Å; F411-F424 HydrophobicContact CD2-CZ 4.03Å; F411-F424 AromaticContact CE1-CE2 3.93Å; F411-F424 HydrophobicContact CE1-CE2 3.93Å; F411-F424 AromaticContact CE1-CZ 3.69Å; F411-F424 HydrophobicContact CE1-CZ 3.69Å; F411-F424 HydrophobicContact CE2-CZ 4.26Å; F411-F424 HydrophobicContact CG-CE1 4.01Å; F411-F424 AromaticContact CG-CZ 3.61Å; F411-F424 HydrophobicContact CG-CZ 3.61Å; F411-F424 HydrophobicContact CZ-CZ 4.12Å; F411-L449 HydrophobicContact CB-CD1 3.57Å; F411-L449 HydrophobicContact CB-CD2 4.1Å; F411-L449 HydrophobicContact CB-CG 4.5Å; F411-L449 HydrophobicContact CD2-CD1 3.97Å; F411-L449 HydrophobicContact CG-CD1 4.3Å
412	E	97	Very high	96.2	Very high	61 Å²	61	54.3 Å²	54.3	29%	0.285	25%	0.254	S	S	.	.	H	α-helix	trans	-63.3	-42.9	169.4	-71.9	166.4	170	0	0	109.8	I408 E409 A415 K445 L449	I408-E412 HydrophobicContact CG2-CG 4.37Å; I408-E412 WeakPolarHBondContact O-CB 3.25Å; I408-E412 VanDerWaalsContact O-CG 3.3Å; I408-E412 WeakPolarHBondContact O-CG 3.41Å; I408-E412 PolarHBondContact O-N 2.93Å; E409-E412 WeakPolarHBondContact O-CB 3.49Å; E409-E412 PolarHBondContact O-N 2.7Å; E412-A415 WeakPolarHBondContact O-CB 3.38Å; E412-A415 PolarHBondContact O-N 3.24Å; E412-K445 IonicContact OE1-NZ 3.26Å; E412-K445 PolarHBondContact OE1-NZ 2.75Å; E412-K445 IonicContact OE2-NZ 3.68Å; E412-K445 PolarHBondContact OE2-NZ 2.93Å; E412-L449 HydrophobicContact CG-CD2 4.44Å
413	E	96.8	Very high	96.3	Very high	80 Å²	80	57.4 Å²	57.4	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-67.8	-43	175.5	-72.8	162.9	-173.1	0	0	113.3	K313 E409 L410 A415 E416	K313-E413 WeakPolarHBondContact CE-OE2 3.4Å; K313-E413 IonicContact NZ-OE1 3.34Å; K313-E413 PolarHBondContact NZ-OE1 2.9Å; K313-E413 IonicContact NZ-OE2 3.58Å; K313-E413 PolarHBondContact NZ-OE2 3.33Å; E409-E413 VanDerWaalsContact O-CG 3.32Å; E409-E413 WeakPolarHBondContact O-CG 3.46Å; E409-E413 PolarHBondContact O-N 3.01Å; L410-E413 PolarHBondContact O-N 2.95Å; E413-A415 PolarHBondContact O-N 3.43Å; E413-E416 WeakPolarHBondContact O-CB 3.43Å; E413-E416 PolarHBondContact O-N 3.07Å
414	I	97.3	Very high	96.4	Very high	13 Å²	13	57.4 Å²	57.4	7%	0.067	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-31.6	172.6	-62.7	161	0	0	0	110.1	A311 V329 L410 F411 E416 D417 Y421 F424	A311-I414 HydrophobicContact CB-CD1 3.65Å; A311-I414 HydrophobicContact CB-CG1 3.71Å; V329-I414 HydrophobicContact CG2-CD1 4.19Å; L410-I414 HydrophobicContact CG-CD1 4.17Å; L410-I414 WeakPolarHBondContact O-CG1 3.23Å; L410-I414 PolarHBondContact O-N 3.4Å; F411-I414 HydrophobicContact CD1-CD1 4.29Å; I414-E416 PolarHBondContact O-N 2.94Å; I414-D417 PolarHBondContact O-N 3.13Å; I414-Y421 HydrophobicContact CB-CD2 4.43Å; I414-Y421 HydrophobicContact CG2-CD2 4.03Å; I414-Y421 WeakPolarHBondContact O-CB 3.26Å; I414-F424 HydrophobicContact CD1-CD2 4.39Å; I414-F424 HydrophobicContact CG2-CB 4.02Å; I414-F424 HydrophobicContact CG2-CD1 4.48Å; I414-F424 HydrophobicContact CG2-CG 4.3Å
415	A	96.2	Very high	96.5	Very high	30 Å²	30	57.4 Å²	57.4	25%	0.248	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-12.4	-179.2	0	0	0	0	0	114.9	F411 E412 E413 Y421 L449	F411-A415 WeakPolarHBondContact O-CB 3.24Å; F411-A415 PolarHBondContact O-N 2.88Å; F411-A415 VanDerWaalsContact O-N 3.12Å; E412-A415 WeakPolarHBondContact O-CB 3.38Å; E412-A415 PolarHBondContact O-N 3.24Å; E413-A415 PolarHBondContact O-N 3.43Å; A415-Y421 HydrophobicContact CB-CD2 3.55Å; A415-Y421 HydrophobicContact CB-CE2 3.56Å; A415-Y421 HydrophobicContact CB-CG 4.14Å; A415-L449 HydrophobicContact CB-CD2 4.39Å
416	E	95.3	Very high	96.4	Very high	174 Å²	174	58.1 Å²	58.1	81%	0.813	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-31.1	171.7	-56.6	-167.6	158.1	0	0	111.6	E413 I414	E413-E416 WeakPolarHBondContact O-CB 3.43Å; E413-E416 PolarHBondContact O-N 3.07Å; I414-E416 PolarHBondContact O-N 2.94Å
417	D	94.3	Very high	96.4	Very high	68 Å²	68	59.2 Å²	59.2	36%	0.364	28%	0.28	S	S	.	.	S	Bend	trans	-94.3	101.5	172.1	178.9	-12.1	0	0	0	111	I414 E419 N420 Y421	I414-D417 PolarHBondContact O-N 3.13Å; D417-E419 PolarHBondContact O-N 2.83Å; D417-E419 VanDerWaalsContact O-N 3.15Å; D417-E419 PolarHBondContact OD1-N 3.4Å; D417-N420 HydrophobicContact CB-CB 4.33Å; D417-N420 PolarHBondContact O-N 2.91Å; D417-N420 PolarHBondContact OD1-N 2.91Å; D417-N420 VanDerWaalsContact OD1-N 3.14Å; D417-N420 WeakPolarHBondContact OD2-CB 3.32Å; D417-N420 PolarHBondContact OD2-ND2 2.99Å; D417-Y421 WeakPolarHBondContact O-CB 3.31Å; D417-Y421 PolarHBondContact O-N 2.92Å
418	K	93.2	Very high	96.4	Very high	139 Å²	139	59.1 Å²	59.1	60%	0.604	28%	0.28	S	S	*	.	H	α-helix	trans	-56.2	-29.6	179.3	-174.8	172.2	173	176.4	0	114.1	K422 E460	K418-K422 WeakPolarHBondContact O-CB 3.01Å; K418-K422 PolarHBondContact O-N 3.2Å; K418-E460 WeakPolarHBondContact CE-OE1 3.35Å; K418-E460 IonicContact NZ-OE1 2.67Å; K418-E460 PolarHBondContact NZ-OE1 2.89Å; K418-E460 IonicContact NZ-OE2 3.54Å; K418-E460 PolarHBondContact NZ-OE2 3.08Å
419	E	94.3	Very high	96.3	Very high	129 Å²	129	59.8 Å²	59.8	60%	0.603	28%	0.284	S	S	*	.	H	α-helix	trans	-80.8	-49.3	-179.5	-160.9	-163	116	0	0	111.5	D417 Y421 K422 K423	D417-E419 PolarHBondContact O-N 2.83Å; D417-E419 VanDerWaalsContact O-N 3.15Å; D417-E419 PolarHBondContact OD1-N 3.4Å; E419-Y421 VanDerWaalsContact C-N 3.32Å; E419-Y421 PolarHBondContact O-N 2.83Å; E419-K422 WeakPolarHBondContact O-CB 3.46Å; E419-K422 PolarHBondContact O-N 3.04Å; E419-K423 PolarHBondContact O-N 2.83Å; E419-K423 WeakPolarHBondContact OE1-CE 3.4Å; E419-K423 IonicContact OE1-NZ 2.78Å; E419-K423 PolarHBondContact OE1-NZ 3Å
420	N	94.8	Very high	96.2	Very high	53 Å²	53	62.6 Å²	62.6	28%	0.283	30%	0.295	S	S	.	.	H	α-helix	trans	-69.8	-31	177.3	-75	-40.5	0	0	0	112.1	L310 D417 K423 F424	L310-N420 HydrophobicContact CD1-CB 4.33Å; D417-N420 HydrophobicContact CB-CB 4.33Å; D417-N420 PolarHBondContact O-N 2.91Å; D417-N420 PolarHBondContact OD1-N 2.91Å; D417-N420 VanDerWaalsContact OD1-N 3.14Å; D417-N420 WeakPolarHBondContact OD2-CB 3.32Å; D417-N420 PolarHBondContact OD2-ND2 2.99Å; N420-K423 PolarHBondContact O-N 3.41Å; N420-K423 PolarHBondContact OD1-NZ 3.36Å; N420-F424 WeakPolarHBondContact O-CB 3.22Å; N420-F424 PolarHBondContact O-N 3.34Å
421	Y	97.5	Very high	96.1	Very high	8 Å²	8	62.5 Å²	62.5	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-36.7	170.2	-165.3	-101.6	0	0	0	113.4	I414 A415 D417 E419 K423 F424 Y425 L449 R451	I414-Y421 HydrophobicContact CB-CD2 4.43Å; I414-Y421 HydrophobicContact CG2-CD2 4.03Å; I414-Y421 WeakPolarHBondContact O-CB 3.26Å; A415-Y421 HydrophobicContact CB-CD2 3.55Å; A415-Y421 HydrophobicContact CB-CE2 3.56Å; A415-Y421 HydrophobicContact CB-CG 4.14Å; D417-Y421 WeakPolarHBondContact O-CB 3.31Å; D417-Y421 PolarHBondContact O-N 2.92Å; E419-Y421 VanDerWaalsContact C-N 3.32Å; E419-Y421 PolarHBondContact O-N 2.83Å; Y421-K423 VanDerWaalsContact C-N 3.34Å; Y421-K423 PolarHBondContact O-N 2.84Å; Y421-F424 AromaticContact CD2-CD1 3.91Å; Y421-F424 HydrophobicContact CD2-CD1 3.91Å; Y421-F424 AromaticContact CE2-CD1 3.72Å; Y421-F424 HydrophobicContact CE2-CD1 3.72Å; Y421-F424 HydrophobicContact CE2-CE1 4.11Å; Y421-F424 PolarHBondContact O-N 3.25Å; Y421-Y425 HydrophobicContact CE1-CD2 4.34Å; Y421-Y425 WeakPolarHBondContact O-CB 3.32Å; Y421-Y425 PolarHBondContact O-N 3.23Å; Y421-L449 HydrophobicContact CE2-CD2 4.19Å; Y421-L449 VanDerWaalsContact OH-C 3.25Å; Y421-L449 WeakPolarHBondContact OH-CA 3.28Å; Y421-L449 WeakPolarHBondContact OH-CB 3.44Å; Y421-L449 PolarHBondContact OH-O 3.1Å; Y421-R451 HydrophobicContact CD1-CG 4.47Å; Y421-R451 HydrophobicContact CE1-CG 3.69Å; Y421-R451 VanDerWaalsContact CE1-CZ 3.47Å
422	K	96.2	Very high	96.1	Very high	148 Å²	148	62.6 Å²	62.6	64%	0.643	30%	0.296	S	S	*	.	H	α-helix	trans	-60.3	-46.2	174	-175.6	-178.9	176.4	-177.8	0	110.8	K418 E419 Y425 E426	K418-K422 WeakPolarHBondContact O-CB 3.01Å; K418-K422 PolarHBondContact O-N 3.2Å; E419-K422 WeakPolarHBondContact O-CB 3.46Å; E419-K422 PolarHBondContact O-N 3.04Å; K422-Y425 PolarHBondContact O-N 2.79Å; K422-E426 WeakPolarHBondContact O-CB 3.42Å; K422-E426 PolarHBondContact O-N 3.22Å
423	K	95.9	Very high	96.1	Very high	78 Å²	78	60 Å²	60	34%	0.339	28%	0.284	S	S	.	.	H	α-helix	trans	-61.5	-45.5	176.5	-59.4	166.7	-159.7	161	0	111.3	E419 N420 Y421 E426 Q427	E419-K423 PolarHBondContact O-N 2.83Å; E419-K423 WeakPolarHBondContact OE1-CE 3.4Å; E419-K423 IonicContact OE1-NZ 2.78Å; E419-K423 PolarHBondContact OE1-NZ 3Å; N420-K423 PolarHBondContact O-N 3.41Å; N420-K423 PolarHBondContact OD1-NZ 3.36Å; Y421-K423 VanDerWaalsContact C-N 3.34Å; Y421-K423 PolarHBondContact O-N 2.84Å; K423-E426 PolarHBondContact O-N 2.82Å; K423-Q427 WeakPolarHBondContact O-CG 3.34Å; K423-Q427 PolarHBondContact O-N 3.07Å
424	F	97.7	Very high	96.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-57.2	-49.7	175	175.5	-116.4	0	0	0	112.1	L310 V329 F371 F411 I414 N420 Y421 Q427 F428 I432	L310-F424 HydrophobicContact CD2-CB 3.73Å; L310-F424 HydrophobicContact CD2-CD2 4.31Å; L310-F424 HydrophobicContact CD2-CG 4.5Å; V329-F424 HydrophobicContact CG1-CD2 3.75Å; V329-F424 HydrophobicContact CG1-CE2 3.87Å; F371-F424 HydrophobicContact CE2-CE2 4.03Å; F371-F424 HydrophobicContact CZ-CE2 4.17Å; F371-F424 HydrophobicContact CZ-CZ 4.42Å; F411-F424 HydrophobicContact CB-CE1 4.11Å; F411-F424 HydrophobicContact CB-CZ 4.21Å; F411-F424 HydrophobicContact CD1-CE1 4.11Å; F411-F424 AromaticContact CD1-CE2 3.93Å; F411-F424 HydrophobicContact CD1-CE2 3.93Å; F411-F424 AromaticContact CD1-CZ 3.4Å; F411-F424 HydrophobicContact CD1-CZ 3.4Å; F411-F424 HydrophobicContact CD2-CZ 4.03Å; F411-F424 AromaticContact CE1-CE2 3.93Å; F411-F424 HydrophobicContact CE1-CE2 3.93Å; F411-F424 AromaticContact CE1-CZ 3.69Å; F411-F424 HydrophobicContact CE1-CZ 3.69Å; F411-F424 HydrophobicContact CE2-CZ 4.26Å; F411-F424 HydrophobicContact CG-CE1 4.01Å; F411-F424 AromaticContact CG-CZ 3.61Å; F411-F424 HydrophobicContact CG-CZ 3.61Å; F411-F424 HydrophobicContact CZ-CZ 4.12Å; I414-F424 HydrophobicContact CD1-CD2 4.39Å; I414-F424 HydrophobicContact CG2-CB 4.02Å; I414-F424 HydrophobicContact CG2-CD1 4.48Å; I414-F424 HydrophobicContact CG2-CG 4.3Å; N420-F424 WeakPolarHBondContact O-CB 3.22Å; N420-F424 PolarHBondContact O-N 3.34Å; Y421-F424 AromaticContact CD2-CD1 3.91Å; Y421-F424 HydrophobicContact CD2-CD1 3.91Å; Y421-F424 AromaticContact CE2-CD1 3.72Å; Y421-F424 HydrophobicContact CE2-CD1 3.72Å; Y421-F424 HydrophobicContact CE2-CE1 4.11Å; Y421-F424 PolarHBondContact O-N 3.25Å; F424-Q427 PolarHBondContact O-N 3.42Å; F424-F428 HydrophobicContact CD2-CB 4.41Å; F424-F428 AromaticContact CD2-CD2 3.56Å; F424-F428 HydrophobicContact CD2-CD2 3.56Å; F424-F428 HydrophobicContact CD2-CE2 4.34Å; F424-F428 HydrophobicContact CD2-CG 4.38Å; F424-F428 HydrophobicContact CE2-CB 4.07Å; F424-F428 AromaticContact CE2-CD2 3.77Å; F424-F428 HydrophobicContact CE2-CD2 3.77Å; F424-F428 HydrophobicContact CE2-CG 4.22Å; F424-F428 WeakPolarHBondContact O-CD2 3.28Å; F424-F428 PolarHBondContact O-N 3.41Å; F424-I432 HydrophobicContact CD1-CD1 4.49Å; F424-I432 HydrophobicContact CE1-CD1 3.74Å; F424-I432 HydrophobicContact CZ-CD1 4.2Å
425	Y	97.4	Very high	96	Very high	8 Å²	8	57 Å²	57	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-68	-38.3	-177.5	-159.2	-101.7	0	0	0	112.2	Y421 K422 Q427 S429 I432 K433 L449 R451 M461	Y421-Y425 HydrophobicContact CE1-CD2 4.34Å; Y421-Y425 WeakPolarHBondContact O-CB 3.32Å; Y421-Y425 PolarHBondContact O-N 3.23Å; K422-Y425 PolarHBondContact O-N 2.79Å; Y425-Q427 VanDerWaalsContact C-N 3.26Å; Y425-Q427 PolarHBondContact O-N 3.34Å; Y425-S429 VanDerWaalsContact CE1-CB 3.45Å; Y425-S429 VanDerWaalsContact CZ-CB 3.47Å; Y425-S429 WeakPolarHBondContact O-CA 3.32Å; Y425-S429 WeakPolarHBondContact O-CB 3.29Å; Y425-S429 PolarHBondContact O-N 2.99Å; Y425-S429 PolarHBondContact O-OG 3.26Å; Y425-I432 HydrophobicContact CD2-CD1 3.76Å; Y425-I432 HydrophobicContact CE2-CD1 3.85Å; Y425-K433 WeakPolarHBondContact OH-CE 3.39Å; Y425-L449 WeakPolarHBondContact CE2-O 3.35Å; Y425-R451 HydrophobicContact CD1-CB 3.91Å; Y425-R451 HydrophobicContact CD1-CG 4.42Å; Y425-R451 HydrophobicContact CD2-CG 4.37Å; Y425-R451 HydrophobicContact CE1-CB 3.71Å; Y425-R451 VanDerWaalsContact CE1-O 3.32Å; Y425-R451 WeakPolarHBondContact CE1-O 3.16Å; Y425-R451 HydrophobicContact CE2-CB 4.37Å; Y425-R451 HydrophobicContact CG-CB 4.32Å; Y425-R451 HydrophobicContact CG-CG 4.35Å; Y425-R451 VanDerWaalsContact CZ-N 3.34Å; Y425-R451 PolarHBondContact OH-N 3.44Å; Y425-R451 PolarHBondContact OH-O 2.63Å; Y425-M461 HydrophobicContact CD1-SD 4Å; Y425-M461 HydrophobicContact CE1-SD 4.05Å
426	E	95.7	Very high	96.1	Very high	139 Å²	139	55.6 Å²	55.6	65%	0.65	26%	0.259	S	S	*	.	H	α-helix	trans	-58.2	-37.9	175.1	-174.1	170.6	178.2	0	0	112.3	K422 K423	K422-E426 WeakPolarHBondContact O-CB 3.42Å; K422-E426 PolarHBondContact O-N 3.22Å; K423-E426 PolarHBondContact O-N 2.82Å
427	Q	96.2	Very high	96.1	Very high	63 Å²	63	50.1 Å²	50.1	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-85.2	-39.4	179.6	-60.8	-60.7	-61.6	0	0	113.8	A333 K423 F424 Y425	A333-Q427 HydrophobicContact CB-CB 4.39Å; K423-Q427 WeakPolarHBondContact O-CG 3.34Å; K423-Q427 PolarHBondContact O-N 3.07Å; F424-Q427 PolarHBondContact O-N 3.42Å; Y425-Q427 VanDerWaalsContact C-N 3.26Å; Y425-Q427 PolarHBondContact O-N 3.34Å
428	F	97.1	Very high	96.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-121.5	6.1	-166.3	-53.1	-69.3	0	0	0	115.4	V329 P330 A333 M337 F371 F424 K430 S431 I432	V329-F428 HydrophobicContact CG1-CD2 4.37Å; V329-F428 HydrophobicContact CG1-CE2 4.04Å; P330-F428 HydrophobicContact CG-CE1 4.42Å; P330-F428 HydrophobicContact CG-CZ 3.86Å; P330-F428 WeakPolarHBondContact O-CE2 3.18Å; A333-F428 HydrophobicContact CB-CE1 3.91Å; A333-F428 HydrophobicContact CB-CZ 4.41Å; M337-F428 HydrophobicContact CE-CD1 4.08Å; M337-F428 HydrophobicContact CE-CE1 4.4Å; M337-F428 HydrophobicContact SD-CD1 3.88Å; M337-F428 HydrophobicContact SD-CE1 3.82Å; F371-F428 HydrophobicContact CB-CD1 3.9Å; F371-F428 HydrophobicContact CB-CE1 3.71Å; F371-F428 AromaticContact CD1-CD1 3.95Å; F371-F428 HydrophobicContact CD1-CD1 3.95Å; F371-F428 AromaticContact CD2-CD1 3.51Å; F371-F428 HydrophobicContact CD2-CD1 3.51Å; F371-F428 HydrophobicContact CD2-CD2 4.37Å; F371-F428 AromaticContact CD2-CE1 3.63Å; F371-F428 HydrophobicContact CD2-CE1 3.63Å; F371-F428 HydrophobicContact CD2-CE2 4.45Å; F371-F428 AromaticContact CD2-CG 3.93Å; F371-F428 HydrophobicContact CD2-CG 3.93Å; F371-F428 HydrophobicContact CD2-CZ 4.13Å; F371-F428 HydrophobicContact CE1-CB 4.33Å; F371-F428 HydrophobicContact CE1-CD1 4.32Å; F371-F428 HydrophobicContact CE1-CG 4.49Å; F371-F428 HydrophobicContact CE2-CB 4.31Å; F371-F428 AromaticContact CE2-CD1 3.94Å; F371-F428 HydrophobicContact CE2-CD1 3.94Å; F371-F428 HydrophobicContact CE2-CD2 4.23Å; F371-F428 HydrophobicContact CE2-CE1 4.38Å; F371-F428 AromaticContact CE2-CG 3.87Å; F371-F428 HydrophobicContact CE2-CG 3.87Å; F371-F428 AromaticContact CG-CD1 3.52Å; F371-F428 HydrophobicContact CG-CD1 3.52Å; F371-F428 AromaticContact CG-CE1 3.74Å; F371-F428 HydrophobicContact CG-CE1 3.74Å; F371-F428 HydrophobicContact CG-CG 4.27Å; F371-F428 HydrophobicContact CZ-CB 4.1Å; F371-F428 HydrophobicContact CZ-CD1 4.31Å; F371-F428 HydrophobicContact CZ-CG 4.15Å; F424-F428 HydrophobicContact CD2-CB 4.41Å; F424-F428 AromaticContact CD2-CD2 3.56Å; F424-F428 HydrophobicContact CD2-CD2 3.56Å; F424-F428 HydrophobicContact CD2-CE2 4.34Å; F424-F428 HydrophobicContact CD2-CG 4.38Å; F424-F428 HydrophobicContact CE2-CB 4.07Å; F424-F428 AromaticContact CE2-CD2 3.77Å; F424-F428 HydrophobicContact CE2-CD2 3.77Å; F424-F428 HydrophobicContact CE2-CG 4.22Å; F424-F428 WeakPolarHBondContact O-CD2 3.28Å; F424-F428 PolarHBondContact O-N 3.41Å; F428-K430 VanDerWaalsContact C-N 3.26Å; F428-K430 PolarHBondContact O-N 2.56Å; F428-S431 WeakPolarHBondContact O-CA 3.46Å; F428-S431 VanDerWaalsContact O-CB 3.31Å; F428-S431 WeakPolarHBondContact O-CB 3.04Å; F428-S431 PolarHBondContact O-N 3.07Å; F428-I432 PolarHBondContact O-N 2.97Å
429	S	96.7	Very high	96.2	Very high	13 Å²	13	45.9 Å²	45.9	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-50.3	-42.3	174.5	46.4	0	0	0	0	113.6	Y425 S431 I432 K433	Y425-S429 VanDerWaalsContact CE1-CB 3.45Å; Y425-S429 VanDerWaalsContact CZ-CB 3.47Å; Y425-S429 WeakPolarHBondContact O-CA 3.32Å; Y425-S429 WeakPolarHBondContact O-CB 3.29Å; Y425-S429 PolarHBondContact O-N 2.99Å; Y425-S429 PolarHBondContact O-OG 3.26Å; S429-S431 VanDerWaalsContact C-N 3.29Å; S429-S431 PolarHBondContact O-N 3.39Å; S429-I432 PolarHBondContact O-N 3.49Å; S429-K433 WeakPolarHBondContact O-CB 3.49Å; S429-K433 WeakPolarHBondContact O-CG 3.35Å; S429-K433 PolarHBondContact O-N 3.01Å
430	K	95.7	Very high	96.3	Very high	103 Å²	103	43.9 Å²	43.9	45%	0.448	21%	0.214	S	C	.	.	H	α-helix	trans	-59.1	-40.2	175.6	-68.2	174.6	-177.8	170.8	0	111.8	F338 F428 K433 L434 I512	F338-K430 HydrophobicContact CE2-CB 3.99Å; F338-K430 HydrophobicContact CE2-CD 4.23Å; F338-K430 HydrophobicContact CZ-CB 3.8Å; F428-K430 VanDerWaalsContact C-N 3.26Å; F428-K430 PolarHBondContact O-N 2.56Å; K430-K433 PolarHBondContact O-N 3.43Å; K430-L434 WeakPolarHBondContact O-CB 3.14Å; K430-L434 PolarHBondContact O-N 3.09Å; K430-I512 HydrophobicContact CG-CG2 4.45Å; K430-I512 WeakPolarHBondContact O-CD1 3.15Å
431	S	95.7	Very high	96.4	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.028	24%	0.237	C	C	.	.	H	α-helix	trans	-68.4	-41.2	177.1	-41.3	0	0	0	0	111.4	Y368 F428 S429 K433 L434 G435	Y368-S431 WeakPolarHBondContact CB-O 3.28Å; Y368-S431 WeakPolarHBondContact O-CB 3.34Å; F428-S431 WeakPolarHBondContact O-CA 3.46Å; F428-S431 VanDerWaalsContact O-CB 3.31Å; F428-S431 WeakPolarHBondContact O-CB 3.04Å; F428-S431 PolarHBondContact O-N 3.07Å; S429-S431 VanDerWaalsContact C-N 3.29Å; S429-S431 PolarHBondContact O-N 3.39Å; S431-K433 PolarHBondContact O-N 3.03Å; S431-L434 PolarHBondContact O-N 2.69Å; S431-G435 PolarHBondContact O-N 3.2Å
432	I	97.5	Very high	96.3	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-44	173.2	-57.9	166.9	0	0	0	110.9	F424 Y425 F428 S429 L434 G435 I436 L449 L450	F424-I432 HydrophobicContact CD1-CD1 4.49Å; F424-I432 HydrophobicContact CE1-CD1 3.74Å; F424-I432 HydrophobicContact CZ-CD1 4.2Å; Y425-I432 HydrophobicContact CD2-CD1 3.76Å; Y425-I432 HydrophobicContact CE2-CD1 3.85Å; F428-I432 PolarHBondContact O-N 2.97Å; S429-I432 PolarHBondContact O-N 3.49Å; I432-L434 VanDerWaalsContact C-N 3.34Å; I432-L434 PolarHBondContact O-N 2.87Å; I432-G435 WeakPolarHBondContact O-CA 3.2Å; I432-G435 PolarHBondContact O-N 3.34Å; I432-G435 VanDerWaalsContact O-N 3.12Å; I432-I436 PolarHBondContact O-N 2.9Å; I432-L449 HydrophobicContact CD1-CB 4.5Å; I432-L449 HydrophobicContact CG2-CB 4.06Å; I432-L450 HydrophobicContact CG2-CD2 4.14Å
433	K	97.7	Very high	96.3	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-34.3	177.8	-67.6	168.9	-174.8	-163.3	0	112.2	Y425 S429 K430 S431 I436 H437 L450 D510 I512 D513 A516	Y425-K433 WeakPolarHBondContact OH-CE 3.39Å; S429-K433 WeakPolarHBondContact O-CB 3.49Å; S429-K433 WeakPolarHBondContact O-CG 3.35Å; S429-K433 PolarHBondContact O-N 3.01Å; K430-K433 PolarHBondContact O-N 3.43Å; S431-K433 PolarHBondContact O-N 3.03Å; K433-I436 WeakPolarHBondContact O-CB 3.18Å; K433-I436 PolarHBondContact O-N 3.39Å; K433-H437 PolarHBondContact O-N 3.39Å; K433-L450 HydrophobicContact CG-CD2 3.95Å; K433-D510 IonicContact NZ-OD2 3.88Å; K433-D510 PolarHBondContact NZ-OD2 2.79Å; K433-I512 HydrophobicContact CB-CD1 4.3Å; K433-I512 HydrophobicContact CB-CG1 4.2Å; K433-I512 HydrophobicContact CB-CG2 3.84Å; K433-I512 HydrophobicContact CD-CG2 3.67Å; K433-I512 HydrophobicContact CG-CG2 4.39Å; K433-D513 VanDerWaalsContact CD-OD1 3.26Å; K433-D513 WeakPolarHBondContact CD-OD1 3.45Å; K433-D513 WeakPolarHBondContact CE-OD1 3.35Å; K433-D513 IonicContact NZ-OD1 3.61Å; K433-D513 PolarHBondContact NZ-OD1 3.49Å; K433-D513 IonicContact NZ-OD2 2.88Å; K433-A516 HydrophobicContact CB-CB 4.46Å
434	L	95.4	Very high	96.3	Very high	31 Å²	31	43.5 Å²	43.5	16%	0.162	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-40.8	169.5	-173.5	60.2	0	0	0	111.6	K430 S431 I432 I436 H437 E438 I512	K430-L434 WeakPolarHBondContact O-CB 3.14Å; K430-L434 PolarHBondContact O-N 3.09Å; S431-L434 PolarHBondContact O-N 2.69Å; I432-L434 VanDerWaalsContact C-N 3.34Å; I432-L434 PolarHBondContact O-N 2.87Å; L434-I436 VanDerWaalsContact C-N 3.31Å; L434-I436 PolarHBondContact O-N 3.16Å; L434-H437 WeakPolarHBondContact O-CA 3.29Å; L434-H437 VanDerWaalsContact O-CB 3.3Å; L434-H437 WeakPolarHBondContact O-CB 3.47Å; L434-H437 PolarHBondContact O-N 2.84Å; L434-E438 HydrophobicContact CD1-CG 4.11Å; L434-E438 HydrophobicContact CG-CG 4.32Å; L434-E438 PolarHBondContact O-N 2.62Å; L434-I512 HydrophobicContact CB-CD1 4Å; L434-I512 HydrophobicContact CD1-CD1 4.47Å
435	G	96.6	Very high	96.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-36.3	173.6	0	0	0	0	0	113.4	Y368 S431 I432 H437 D439	Y368-G435 VanDerWaalsContact CD2-CA 3.48Å; S431-G435 PolarHBondContact O-N 3.2Å; I432-G435 WeakPolarHBondContact O-CA 3.2Å; I432-G435 PolarHBondContact O-N 3.34Å; I432-G435 VanDerWaalsContact O-N 3.12Å; G435-H437 VanDerWaalsContact C-N 3.31Å; G435-H437 PolarHBondContact O-N 3.35Å; G435-D439 WeakPolarHBondContact O-CA 3.47Å; G435-D439 WeakPolarHBondContact O-CB 3.38Å; G435-D439 PolarHBondContact O-N 3.5Å
436	I	97.7	Very high	96.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-39	170.7	-64.9	-72.3	0	0	0	111.4	I432 K433 L434 R443 L446 L450 A516 L520	I432-I436 PolarHBondContact O-N 2.9Å; K433-I436 WeakPolarHBondContact O-CB 3.18Å; K433-I436 PolarHBondContact O-N 3.39Å; L434-I436 VanDerWaalsContact C-N 3.31Å; L434-I436 PolarHBondContact O-N 3.16Å; I436-R443 HydrophobicContact CD1-CG 4.14Å; I436-R443 WeakPolarHBondContact CD1-O 3.36Å; I436-R443 HydrophobicContact CG2-CG 4.39Å; I436-R443 VanDerWaalsContact O-CZ 3.26Å; I436-R443 PolarHBondContact O-NE 2.94Å; I436-R443 PolarHBondContact O-NH2 3.32Å; I436-L446 HydrophobicContact CD1-CB 3.64Å; I436-L446 HydrophobicContact CG1-CB 4.3Å; I436-L450 HydrophobicContact CD1-CD1 4.08Å; I436-L450 HydrophobicContact CG1-CD1 4.12Å; I436-L450 HydrophobicContact CG1-CD2 4.2Å; I436-L450 HydrophobicContact CG1-CG 4.41Å; I436-A516 HydrophobicContact CB-CB 4.21Å; I436-A516 HydrophobicContact CG2-CB 3.85Å; I436-L520 HydrophobicContact CG2-CB 3.99Å
437	H	95.5	Very high	96.3	Very high	59 Å²	59	40.8 Å²	40.8	27%	0.273	22%	0.221	S	C	.	.	H	α-helix	trans	-66.3	-56.7	177.2	-171.5	71.8	0	0	0	110.9	K433 L434 G435 R443 Y515 H519	K433-H437 PolarHBondContact O-N 3.39Å; L434-H437 WeakPolarHBondContact O-CA 3.29Å; L434-H437 VanDerWaalsContact O-CB 3.3Å; L434-H437 WeakPolarHBondContact O-CB 3.47Å; L434-H437 PolarHBondContact O-N 2.84Å; G435-H437 VanDerWaalsContact C-N 3.31Å; G435-H437 PolarHBondContact O-N 3.35Å; H437-R443 PolarHBondContact O-NH2 2.74Å; H437-Y515 AromaticContact CE1-CD1 3.94Å; H437-Y515 PolarHBondContact ND1-O 2.78Å; H437-H519 AromaticContact CE1-CE1 3.38Å; H437-H519 PolarHBondContact CE1-CE1 2.86Å; H437-H519 AromaticContact CE1-ND1 3.8Å; H437-H519 AromaticContact ND1-CE1 3.35Å; H437-H519 PolarHBondContact ND1-CE1 3.4Å; H437-H519 AromaticContact ND1-ND1 3.29Å; H437-H519 PolarHBondContact ND1-ND1 2.67Å
438	E	94	Very high	96.4	Very high	93 Å²	93	40.6 Å²	40.6	44%	0.435	22%	0.22	S	C	.	.	H	α-helix	trans	-80	-48.8	-170.5	-62.2	179.3	166.4	0	0	114.3	L434 S440	L434-E438 HydrophobicContact CD1-CG 4.11Å; L434-E438 HydrophobicContact CG-CG 4.32Å; L434-E438 PolarHBondContact O-N 2.62Å; E438-S440 PolarHBondContact O-N 3.04Å; E438-S440 VanDerWaalsContact O-N 3.13Å
439	D	95.4	Very high	96.4	Very high	24 Å²	24	40.8 Å²	40.8	13%	0.128	22%	0.221	C	C	.	.			trans	-90.4	85.6	-166.3	-164.4	-30.6	0	0	0	112.1	Y368 G435 V441 N442 R443 L446	Y368-D439 HydrophobicContact CD1-CB 4.43Å; Y368-D439 HydrophobicContact CE1-CB 3.58Å; Y368-D439 WeakPolarHBondContact CE1-OD2 3.21Å; Y368-D439 PolarHBondContact OH-OD2 2.95Å; G435-D439 WeakPolarHBondContact O-CA 3.47Å; G435-D439 WeakPolarHBondContact O-CB 3.38Å; G435-D439 PolarHBondContact O-N 3.5Å; D439-V441 PolarHBondContact O-N 3.22Å; D439-V441 WeakPolarHBondContact OD1-CB 3.38Å; D439-V441 PolarHBondContact OD1-N 3.24Å; D439-N442 VanDerWaalsContact CG-ND2 3.34Å; D439-N442 PolarHBondContact O-N 3.06Å; D439-N442 PolarHBondContact OD1-N 3.19Å; D439-N442 PolarHBondContact OD1-ND2 3.09Å; D439-N442 PolarHBondContact OD2-ND2 2.94Å; D439-R443 WeakPolarHBondContact O-CB 3.37Å; D439-R443 PolarHBondContact O-N 3Å; D439-L446 HydrophobicContact CB-CD1 4.25Å
440	S	95.8	Very high	96.4	Very high	87 Å²	87	40.2 Å²	40.2	61%	0.608	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.1	177.1	62	0	0	0	0	114.9	E438	E438-S440 PolarHBondContact O-N 3.04Å; E438-S440 VanDerWaalsContact O-N 3.13Å
441	V	96.3	Very high	96.5	Very high	125 Å²	125	37.3 Å²	37.3	76%	0.758	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-44.6	-179.7	-178.9	0	0	0	0	110.4	D439	D439-V441 PolarHBondContact O-N 3.22Å; D439-V441 WeakPolarHBondContact OD1-CB 3.38Å; D439-V441 PolarHBondContact OD1-N 3.24Å
442	N	96.5	Very high	96.6	Very high	35 Å²	35	37.5 Å²	37.5	19%	0.187	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-7.4	-176.7	-64.8	-67.4	0	0	0	114.1	V404 I408 D439 A444 K445 L446	V404-N442 WeakPolarHBondContact CG1-ND2 3.24Å; I408-N442 HydrophobicContact CD1-CB 3.62Å; D439-N442 VanDerWaalsContact CG-ND2 3.34Å; D439-N442 PolarHBondContact O-N 3.06Å; D439-N442 PolarHBondContact OD1-N 3.19Å; D439-N442 PolarHBondContact OD1-ND2 3.09Å; D439-N442 PolarHBondContact OD2-ND2 2.94Å; N442-A444 PolarHBondContact O-N 2.84Å; N442-K445 PolarHBondContact O-N 3.15Å; N442-L446 HydrophobicContact CB-CD1 4.15Å; N442-L446 HydrophobicContact CB-CG 4.24Å; N442-L446 PolarHBondContact O-N 2.95Å
443	R	96.6	Very high	96.5	Very high	47 Å²	47	40.3 Å²	40.3	18%	0.177	21%	0.214	C	C	.	.	H	α-helix	trans	-41.5	-40.1	-179.1	-175.3	172.3	-67.3	128.6	4.9	115	I436 H437 D439 S447 L520	I436-R443 HydrophobicContact CD1-CG 4.14Å; I436-R443 WeakPolarHBondContact CD1-O 3.36Å; I436-R443 HydrophobicContact CG2-CG 4.39Å; I436-R443 VanDerWaalsContact O-CZ 3.26Å; I436-R443 PolarHBondContact O-NE 2.94Å; I436-R443 PolarHBondContact O-NH2 3.32Å; H437-R443 PolarHBondContact O-NH2 2.74Å; D439-R443 WeakPolarHBondContact O-CB 3.37Å; D439-R443 PolarHBondContact O-N 3Å; R443-S447 WeakPolarHBondContact O-CB 3.41Å; R443-S447 PolarHBondContact O-N 3.38Å; R443-L520 HydrophobicContact CG-CD1 4.38Å
444	A	95.4	Very high	96.5	Very high	73 Å²	73	40.1 Å²	40.1	60%	0.603	21%	0.214	S	C	*	.	H	α-helix	trans	-62.7	-54.4	178	0	0	0	0	0	111.9	N442 L446 S447	N442-A444 PolarHBondContact O-N 2.84Å; A444-L446 VanDerWaalsContact C-N 3.35Å; A444-L446 PolarHBondContact O-N 3.06Å; A444-S447 PolarHBondContact O-N 3.37Å; A444-S447 VanDerWaalsContact O-N 3.08Å; A444-S447 PolarHBondContact O-OG 2.73Å
445	K	96.5	Very high	96.5	Very high	84 Å²	84	40.6 Å²	40.6	37%	0.365	22%	0.22	S	C	.	.	H	α-helix	trans	-60.3	-43.5	175.3	-74.7	176.3	144.5	-80.3	0	111.8	I408 E412 N442 S447 E448	I408-K445 HydrophobicContact CG2-CB 3.8Å; I408-K445 HydrophobicContact CG2-CD 4Å; I408-K445 HydrophobicContact CG2-CG 4.43Å; E412-K445 IonicContact OE1-NZ 3.26Å; E412-K445 PolarHBondContact OE1-NZ 2.75Å; E412-K445 IonicContact OE2-NZ 3.68Å; E412-K445 PolarHBondContact OE2-NZ 2.93Å; N442-K445 PolarHBondContact O-N 3.15Å; K445-S447 PolarHBondContact O-N 3.2Å; K445-E448 WeakPolarHBondContact O-CB 3.27Å; K445-E448 PolarHBondContact O-N 3.37Å
446	L	97.4	Very high	96.3	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-25	176.7	-64.6	175.6	0	0	0	112.6	Y368 I408 I436 D439 N442 A444 L449	Y368-L446 HydrophobicContact CE2-CD1 3.93Å; Y368-L446 HydrophobicContact CE2-CD2 4.17Å; I408-L446 HydrophobicContact CD1-CD2 4.3Å; I408-L446 HydrophobicContact CG1-CD2 4.07Å; I436-L446 HydrophobicContact CD1-CB 3.64Å; I436-L446 HydrophobicContact CG1-CB 4.3Å; D439-L446 HydrophobicContact CB-CD1 4.25Å; N442-L446 HydrophobicContact CB-CD1 4.15Å; N442-L446 HydrophobicContact CB-CG 4.24Å; N442-L446 PolarHBondContact O-N 2.95Å; A444-L446 VanDerWaalsContact C-N 3.35Å; A444-L446 PolarHBondContact O-N 3.06Å; L446-L449 HydrophobicContact CD2-CD1 4.3Å; L446-L449 WeakPolarHBondContact O-CB 3.35Å; L446-L449 PolarHBondContact O-N 3.23Å
447	S	97.3	Very high	96	Very high	5 Å²	5	45 Å²	45	4%	0.035	25%	0.254	C	S	.	.	H	α-helix	trans	-76.8	-26.7	178.4	72.2	0	0	0	0	113.8	R443 A444 K445 L449 L450 Y523	R443-S447 WeakPolarHBondContact O-CB 3.41Å; R443-S447 PolarHBondContact O-N 3.38Å; A444-S447 PolarHBondContact O-N 3.37Å; A444-S447 VanDerWaalsContact O-N 3.08Å; A444-S447 PolarHBondContact O-OG 2.73Å; K445-S447 PolarHBondContact O-N 3.2Å; S447-L449 PolarHBondContact O-N 2.87Å; S447-L450 PolarHBondContact O-N 3.22Å; S447-Y523 WeakPolarHBondContact OG-CD2 3.18Å
448	E	96.7	Very high	95.7	Very high	59 Å²	59	44.1 Å²	44.1	28%	0.276	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-26.5	166.1	-59	-61	123.1	0	0	111.6	K445 L450 R451 Y523	K445-E448 WeakPolarHBondContact O-CB 3.27Å; K445-E448 PolarHBondContact O-N 3.37Å; E448-L450 VanDerWaalsContact C-N 3.34Å; E448-R451 PolarHBondContact O-NH1 3.26Å; E448-Y523 VanDerWaalsContact CD-OH 3.25Å; E448-Y523 WeakPolarHBondContact OE1-CE2 3.29Å; E448-Y523 VanDerWaalsContact OE1-CZ 3.24Å; E448-Y523 PolarHBondContact OE1-OH 3.4Å; E448-Y523 PolarHBondContact OE2-OH 3.28Å
449	L	97.5	Very high	95.5	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	12.7	-179.9	-55.7	174.9	0	0	0	113.4	F411 E412 A415 Y421 Y425 I432 L446 S447	F411-L449 HydrophobicContact CB-CD1 3.57Å; F411-L449 HydrophobicContact CB-CD2 4.1Å; F411-L449 HydrophobicContact CB-CG 4.5Å; F411-L449 HydrophobicContact CD2-CD1 3.97Å; F411-L449 HydrophobicContact CG-CD1 4.3Å; E412-L449 HydrophobicContact CG-CD2 4.44Å; A415-L449 HydrophobicContact CB-CD2 4.39Å; Y421-L449 HydrophobicContact CE2-CD2 4.19Å; Y421-L449 VanDerWaalsContact OH-C 3.25Å; Y421-L449 WeakPolarHBondContact OH-CA 3.28Å; Y421-L449 WeakPolarHBondContact OH-CB 3.44Å; Y421-L449 PolarHBondContact OH-O 3.1Å; Y425-L449 WeakPolarHBondContact CE2-O 3.35Å; I432-L449 HydrophobicContact CD1-CB 4.5Å; I432-L449 HydrophobicContact CG2-CB 4.06Å; L446-L449 HydrophobicContact CD2-CD1 4.3Å; L446-L449 WeakPolarHBondContact O-CB 3.35Å; L446-L449 PolarHBondContact O-N 3.23Å; S447-L449 PolarHBondContact O-N 2.87Å
450	L	97.9	Very high	95.4	Very high	1 Å²	1	50 Å²	50	1%	0.005	29%	0.294	C	S	.	.			trans	-90.8	142.9	173.7	-67.3	173.5	0	0	0	111.4	I432 K433 I436 S447 E448 F452 L464 L520	I432-L450 HydrophobicContact CG2-CD2 4.14Å; K433-L450 HydrophobicContact CG-CD2 3.95Å; I436-L450 HydrophobicContact CD1-CD1 4.08Å; I436-L450 HydrophobicContact CG1-CD1 4.12Å; I436-L450 HydrophobicContact CG1-CD2 4.2Å; I436-L450 HydrophobicContact CG1-CG 4.41Å; S447-L450 PolarHBondContact O-N 3.22Å; E448-L450 VanDerWaalsContact C-N 3.34Å; L450-F452 HydrophobicContact CB-CD2 4.47Å; L450-F452 HydrophobicContact CB-CE2 3.68Å; L450-F452 HydrophobicContact CB-CZ 4.08Å; L450-F452 HydrophobicContact CD1-CE2 4.08Å; L450-F452 HydrophobicContact CD1-CZ 4.09Å; L450-F452 HydrophobicContact CD2-CZ 4.3Å; L450-F452 HydrophobicContact CG-CE2 4.38Å; L450-F452 HydrophobicContact CG-CZ 4.39Å; L450-L464 HydrophobicContact CD1-CD1 4.14Å; L450-L520 HydrophobicContact CD1-CD2 3.58Å
451	R	97.5	Very high	95.4	Very high	43 Å²	43	49.3 Å²	49.3	16%	0.162	28%	0.281	C	S	.	.			trans	-133.9	134.5	172.4	-58.7	-68.5	179.1	-84.2	-1.1	110.2	Y421 Y425 E448 M461 I462	Y421-R451 HydrophobicContact CD1-CG 4.47Å; Y421-R451 HydrophobicContact CE1-CG 3.69Å; Y421-R451 VanDerWaalsContact CE1-CZ 3.47Å; Y425-R451 HydrophobicContact CD1-CB 3.91Å; Y425-R451 HydrophobicContact CD1-CG 4.42Å; Y425-R451 HydrophobicContact CD2-CG 4.37Å; Y425-R451 HydrophobicContact CE1-CB 3.71Å; Y425-R451 VanDerWaalsContact CE1-O 3.32Å; Y425-R451 WeakPolarHBondContact CE1-O 3.16Å; Y425-R451 HydrophobicContact CE2-CB 4.37Å; Y425-R451 HydrophobicContact CG-CB 4.32Å; Y425-R451 HydrophobicContact CG-CG 4.35Å; Y425-R451 VanDerWaalsContact CZ-N 3.34Å; Y425-R451 PolarHBondContact OH-N 3.44Å; Y425-R451 PolarHBondContact OH-O 2.63Å; E448-R451 PolarHBondContact O-NH1 3.26Å; R451-M461 HydrophobicContact CB-CB 3.89Å; R451-M461 HydrophobicContact CB-SD 4.14Å; R451-I462 CarbonylContact C-O 3.53Å; R451-I462 WeakPolarHBondContact CA-O 3.19Å
452	F	97.2	Very high	95.4	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.035	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-136.7	154.8	-178.8	-58.6	-73.8	0	0	0	110.2	L450 M461 I462 L464 L506 M508	L450-F452 HydrophobicContact CB-CD2 4.47Å; L450-F452 HydrophobicContact CB-CE2 3.68Å; L450-F452 HydrophobicContact CB-CZ 4.08Å; L450-F452 HydrophobicContact CD1-CE2 4.08Å; L450-F452 HydrophobicContact CD1-CZ 4.09Å; L450-F452 HydrophobicContact CD2-CZ 4.3Å; L450-F452 HydrophobicContact CG-CE2 4.38Å; L450-F452 HydrophobicContact CG-CZ 4.39Å; F452-M461 CarbonylContact O-C 3.6Å; F452-M461 VanDerWaalsContact O-CA 3.26Å; F452-M461 WeakPolarHBondContact O-CA 3.35Å; F452-I462 PolarHBondContact N-O 2.97Å; F452-I462 VanDerWaalsContact O-CG1 3.27Å; F452-I462 WeakPolarHBondContact O-CG1 3.35Å; F452-I462 PolarHBondContact O-N 2.7Å; F452-L464 HydrophobicContact CD2-CD2 4.12Å; F452-L464 HydrophobicContact CE2-CD2 4.03Å; F452-L464 HydrophobicContact CE2-CG 4.43Å; F452-L506 HydrophobicContact CB-CD2 4.37Å; F452-L506 HydrophobicContact CD2-CD1 4.4Å; F452-M508 HydrophobicContact CD1-CE 4.25Å; F452-M508 HydrophobicContact CD1-CG 3.78Å; F452-M508 HydrophobicContact CD2-CE 4.31Å; F452-M508 HydrophobicContact CE1-CE 3.95Å; F452-M508 HydrophobicContact CE1-CG 3.82Å; F452-M508 HydrophobicContact CE1-SD 4.46Å; F452-M508 HydrophobicContact CE2-CE 4Å; F452-M508 HydrophobicContact CG-CE 4.43Å; F452-M508 HydrophobicContact CZ-CE 3.82Å
453	Y	96.6	Very high	95.4	Very high	62 Å²	62	42.8 Å²	42.8	24%	0.243	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	159.7	163.1	-60.2	-74.8	0	0	0	109.5	E460 M461 K486 Y507	Y453-E460 WeakPolarHBondContact CD1-O 3.19Å; Y453-M461 HydrophobicContact CD1-CG 3.9Å; Y453-M461 HydrophobicContact CD2-CE 4.17Å; Y453-M461 HydrophobicContact CD2-CG 4.35Å; Y453-M461 HydrophobicContact CE1-CE 4.43Å; Y453-M461 HydrophobicContact CE1-CG 3.7Å; Y453-M461 HydrophobicContact CE2-CE 3.45Å; Y453-M461 VanDerWaalsContact CE2-CE 3.45Å; Y453-M461 HydrophobicContact CE2-CG 4.18Å; Y453-M461 HydrophobicContact CG-CG 4.21Å; Y453-K486 HydrophobicContact CD1-CD 4.45Å; Y453-K486 HydrophobicContact CD2-CD 4.19Å; Y453-K486 HydrophobicContact CG-CD 4.17Å; Y453-Y507 PolarHBondContact O-N 3.25Å
454	S	96.4	Very high	95.4	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	170.1	170.5	81.2	0	0	0	0	112.7	A456 S457 E504 V505 Y507	S454-A456 PolarHBondContact O-N 3Å; S454-A456 VanDerWaalsContact O-N 3.13Å; S454-A456 PolarHBondContact OG-N 3.3Å; S454-A456 VanDerWaalsContact OG-N 3.13Å; S454-S457 PolarHBondContact N-OG 2.95Å; S454-S457 PolarHBondContact O-N 3.32Å; S454-S457 PolarHBondContact OG-N 2.84Å; S454-S457 VanDerWaalsContact OG-N 3.09Å; S454-E504 VanDerWaalsContact CB-OE1 3.23Å; S454-E504 WeakPolarHBondContact CB-OE1 3.5Å; S454-E504 PolarHBondContact OG-OE1 3.45Å; S454-V505 CarbonylContact C-O 3.49Å; S454-V505 WeakPolarHBondContact CA-O 3.28Å; S454-V505 WeakPolarHBondContact CB-O 3.1Å; S454-Y507 WeakPolarHBondContact O-CE2 3.19Å
455	S	95.6	Very high	95.5	Very high	42 Å²	42	42.7 Å²	42.7	29%	0.294	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-12.3	171.3	59.5	0	0	0	0	114.5	E504 V505 Y507	S455-E504 WeakPolarHBondContact OG-CA 3.24Å; S455-V505 PolarHBondContact N-O 3.32Å; S455-V505 PolarHBondContact OG-N 3.03Å; S455-Y507 WeakPolarHBondContact CA-OH 3.18Å; S455-Y507 WeakPolarHBondContact CB-OH 3.39Å
456	A	93.3	Very high	95.4	Very high	68 Å²	68	41.8 Å²	41.8	56%	0.562	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-20.5	179.1	0	0	0	0	0	114	S454 E504	S454-A456 PolarHBondContact O-N 3Å; S454-A456 VanDerWaalsContact O-N 3.13Å; S454-A456 PolarHBondContact OG-N 3.3Å; S454-A456 VanDerWaalsContact OG-N 3.13Å; A456-E504 HydrophobicContact CB-CG 3.91Å
457	S	90.7	Very high	95.4	Very high	23 Å²	23	41.8 Å²	41.8	16%	0.161	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-7	-171.8	74.7	0	0	0	0	115.4	S454 D459 E460	S454-S457 PolarHBondContact N-OG 2.95Å; S454-S457 PolarHBondContact O-N 3.32Å; S454-S457 PolarHBondContact OG-N 2.84Å; S454-S457 VanDerWaalsContact OG-N 3.09Å; S457-D459 PolarHBondContact O-N 3.3Å; S457-E460 VanDerWaalsContact CB-O 3.26Å; S457-E460 WeakPolarHBondContact CB-O 3.49Å; S457-E460 PolarHBondContact O-N 3.49Å; S457-E460 VanDerWaalsContact O-N 3.1Å; S457-E460 PolarHBondContact OG-O 2.81Å
458	G	89.1	Confident	95.4	Very high	42 Å²	42	43 Å²	43	43%	0.433	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	-124.3	-176.9	0	0	0	0	0	111.3	K486	G458-K486 WeakPolarHBondContact O-CE 3.44Å; G458-K486 PolarHBondContact O-NZ 3.48Å
459	D	90.3	Very high	95.4	Very high	145 Å²	145	44.7 Å²	44.7	78%	0.775	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	8.2	177.7	-66.3	-46.5	0	0	0	114.7	S457 K486	S457-D459 PolarHBondContact O-N 3.3Å; D459-K486 IonicContact OD1-NZ 2.66Å; D459-K486 PolarHBondContact OD1-NZ 3.4Å
460	E	93.1	Very high	95.3	Very high	96 Å²	96	49.7 Å²	49.7	45%	0.449	27%	0.273	S	S	.	.	S	Bend	trans	-92.5	145.1	168.4	-156.8	178.2	114.7	0	0	111.3	K418 Y453 S457	K418-E460 WeakPolarHBondContact CE-OE1 3.35Å; K418-E460 IonicContact NZ-OE1 2.67Å; K418-E460 PolarHBondContact NZ-OE1 2.89Å; K418-E460 IonicContact NZ-OE2 3.54Å; K418-E460 PolarHBondContact NZ-OE2 3.08Å; Y453-E460 WeakPolarHBondContact CD1-O 3.19Å; S457-E460 VanDerWaalsContact CB-O 3.26Å; S457-E460 WeakPolarHBondContact CB-O 3.49Å; S457-E460 PolarHBondContact O-N 3.49Å; S457-E460 VanDerWaalsContact O-N 3.1Å; S457-E460 PolarHBondContact OG-O 2.81Å
461	M	95.1	Very high	95.1	Very high	72 Å²	72	51 Å²	51	36%	0.355	28%	0.28	S	S	.	.			trans	-93.5	138.3	166.9	-63	-175.5	175.7	0	0	110.8	Y425 R451 F452 Y453	Y425-M461 HydrophobicContact CD1-SD 4Å; Y425-M461 HydrophobicContact CE1-SD 4.05Å; R451-M461 HydrophobicContact CB-CB 3.89Å; R451-M461 HydrophobicContact CB-SD 4.14Å; F452-M461 CarbonylContact O-C 3.6Å; F452-M461 VanDerWaalsContact O-CA 3.26Å; F452-M461 WeakPolarHBondContact O-CA 3.35Å; Y453-M461 HydrophobicContact CD1-CG 3.9Å; Y453-M461 HydrophobicContact CD2-CE 4.17Å; Y453-M461 HydrophobicContact CD2-CG 4.35Å; Y453-M461 HydrophobicContact CE1-CE 4.43Å; Y453-M461 HydrophobicContact CE1-CG 3.7Å; Y453-M461 HydrophobicContact CE2-CE 3.45Å; Y453-M461 VanDerWaalsContact CE2-CE 3.45Å; Y453-M461 HydrophobicContact CE2-CG 4.18Å; Y453-M461 HydrophobicContact CG-CG 4.21Å
462	I	96.3	Very high	94.9	Very high	11 Å²	11	52 Å²	52	6%	0.056	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-112.5	158.2	-177.5	55.8	164.1	0	0	0	111.5	R451 F452 D466 E504 L506	R451-I462 CarbonylContact C-O 3.53Å; R451-I462 WeakPolarHBondContact CA-O 3.19Å; F452-I462 PolarHBondContact N-O 2.97Å; F452-I462 VanDerWaalsContact O-CG1 3.27Å; F452-I462 WeakPolarHBondContact O-CG1 3.35Å; F452-I462 PolarHBondContact O-N 2.7Å; I462-D466 HydrophobicContact CB-CB 4.08Å; I462-E504 WeakPolarHBondContact CD1-OE1 3.49Å; I462-L506 HydrophobicContact CD1-CD2 3.85Å; I462-L506 HydrophobicContact CG1-CD2 4.41Å
463	S	97	Very high	94.6	Very high	11 Å²	11	57.6 Å²	57.6	8%	0.077	32%	0.323	C	S	.	.			trans	-80.8	167.1	168.2	72.6	0	0	0	0	112.7	K465 D466 Y467	S463-K465 VanDerWaalsContact C-N 3.26Å; S463-K465 PolarHBondContact O-N 2.85Å; S463-K465 PolarHBondContact OG-N 3.47Å; S463-D466 VanDerWaalsContact CB-OD2 3.26Å; S463-D466 WeakPolarHBondContact CB-OD2 3.42Å; S463-D466 PolarHBondContact N-OD2 2.71Å; S463-D466 WeakPolarHBondContact O-CB 3.1Å; S463-D466 PolarHBondContact O-N 3.04Å; S463-D466 PolarHBondContact OG-N 3.34Å; S463-D466 PolarHBondContact OG-OD2 3.44Å; S463-Y467 PolarHBondContact O-N 3.22Å
464	L	97.2	Very high	94.3	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-33.4	170.2	-64.3	177.3	0	0	0	111.7	L450 F452 Y467 V468 L506 L520 Y523	L450-L464 HydrophobicContact CD1-CD1 4.14Å; F452-L464 HydrophobicContact CD2-CD2 4.12Å; F452-L464 HydrophobicContact CE2-CD2 4.03Å; F452-L464 HydrophobicContact CE2-CG 4.43Å; L464-Y467 WeakPolarHBondContact O-CB 3.36Å; L464-Y467 PolarHBondContact O-N 2.69Å; L464-V468 WeakPolarHBondContact O-CG2 3.47Å; L464-V468 PolarHBondContact O-N 2.71Å; L464-L506 HydrophobicContact CD2-CD1 3.54Å; L464-L520 HydrophobicContact CD1-CD2 3.86Å; L464-Y523 HydrophobicContact CB-CD1 3.72Å; L464-Y523 HydrophobicContact CB-CD2 4.1Å; L464-Y523 HydrophobicContact CB-CE1 3.55Å; L464-Y523 HydrophobicContact CB-CE2 3.97Å; L464-Y523 HydrophobicContact CB-CG 3.99Å; L464-Y523 HydrophobicContact CD1-CD2 3.75Å; L464-Y523 HydrophobicContact CD1-CE2 4.19Å; L464-Y523 HydrophobicContact CD1-CG 3.94Å
465	K	96.2	Very high	94.2	Very high	118 Å²	118	59 Å²	59	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-63.8	-42.8	174.4	-165.8	171.3	-172.3	165.2	0	112.6	S463 Y467 V468 S469	S463-K465 VanDerWaalsContact C-N 3.26Å; S463-K465 PolarHBondContact O-N 2.85Å; S463-K465 PolarHBondContact OG-N 3.47Å; K465-Y467 VanDerWaalsContact C-N 3.32Å; K465-Y467 PolarHBondContact O-N 2.68Å; K465-V468 PolarHBondContact O-N 2.71Å; K465-S469 PolarHBondContact O-N 2.79Å
466	D	95.8	Very high	94	Very high	66 Å²	66	62.3 Å²	62.3	35%	0.353	34%	0.342	S	S	.	.	H	α-helix	trans	-59.8	-43.9	173.6	-65.2	-55.5	0	0	0	111	I462 S463 S469 R470	I462-D466 HydrophobicContact CB-CB 4.08Å; S463-D466 VanDerWaalsContact CB-OD2 3.26Å; S463-D466 WeakPolarHBondContact CB-OD2 3.42Å; S463-D466 PolarHBondContact N-OD2 2.71Å; S463-D466 WeakPolarHBondContact O-CB 3.1Å; S463-D466 PolarHBondContact O-N 3.04Å; S463-D466 PolarHBondContact OG-N 3.34Å; S463-D466 PolarHBondContact OG-OD2 3.44Å; D466-S469 PolarHBondContact O-N 2.73Å; D466-S469 PolarHBondContact O-OG 3.22Å; D466-R470 PolarHBondContact O-N 3.48Å; D466-R470 PolarHBondContact O-NH1 2.95Å
467	Y	97.5	Very high	94	Very high	1 Å²	1	61 Å²	61	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-60	-50.5	173.5	-177.7	-78.4	0	0	0	111.4	S463 L464 K465 S469 R470 M471 Q475 I478 Y479 E504 L506	S463-Y467 PolarHBondContact O-N 3.22Å; L464-Y467 WeakPolarHBondContact O-CB 3.36Å; L464-Y467 PolarHBondContact O-N 2.69Å; K465-Y467 VanDerWaalsContact C-N 3.32Å; K465-Y467 PolarHBondContact O-N 2.68Å; Y467-S469 VanDerWaalsContact C-N 3.28Å; Y467-S469 PolarHBondContact O-N 2.86Å; Y467-R470 CarbonylContact O-C 3.47Å; Y467-R470 PolarHBondContact O-N 2.81Å; Y467-M471 HydrophobicContact CD1-CG 3.8Å; Y467-M471 HydrophobicContact CD1-SD 4.12Å; Y467-M471 HydrophobicContact CE1-CE 4.45Å; Y467-M471 HydrophobicContact CE1-CG 3.59Å; Y467-M471 HydrophobicContact CE1-SD 3.94Å; Y467-M471 PolarHBondContact O-N 3.24Å; Y467-M471 VanDerWaalsContact O-N 3.07Å; Y467-Q475 PolarHBondContact OH-NE2 3.25Å; Y467-I478 HydrophobicContact CD1-CB 4.39Å; Y467-I478 HydrophobicContact CD1-CG1 3.96Å; Y467-I478 HydrophobicContact CD1-CG2 3.95Å; Y467-I478 HydrophobicContact CE1-CB 3.9Å; Y467-I478 HydrophobicContact CE1-CG1 3.78Å; Y467-I478 HydrophobicContact CE1-CG2 3.68Å; Y467-I478 HydrophobicContact CE2-CG2 4.48Å; Y467-I478 HydrophobicContact CG-CG2 4.5Å; Y467-Y479 PolarHBondContact OH-N 3.33Å; Y467-E504 HydrophobicContact CD2-CB 4.12Å; Y467-E504 HydrophobicContact CD2-CG 3.83Å; Y467-E504 HydrophobicContact CE2-CB 3.64Å; Y467-E504 HydrophobicContact CE2-CG 3.73Å; Y467-E504 VanDerWaalsContact CE2-O 3.27Å; Y467-E504 WeakPolarHBondContact CE2-O 3.43Å; Y467-E504 PolarHBondContact OH-O 3.36Å; Y467-L506 HydrophobicContact CD2-CD1 4.39Å; Y467-L506 HydrophobicContact CD2-CD2 3.52Å; Y467-L506 HydrophobicContact CD2-CG 3.79Å; Y467-L506 HydrophobicContact CE2-CD2 4.13Å; Y467-L506 HydrophobicContact CE2-CG 3.96Å; Y467-L506 HydrophobicContact CG-CD2 4.24Å
468	V	96.6	Very high	94.3	Very high	31 Å²	31	60 Å²	60	19%	0.188	32%	0.318	C	S	.	.	H	α-helix	trans	-59.2	-39.4	179.8	173.8	0	0	0	0	111.4	L464 K465 R470 M471 I478 Y523 E524	L464-V468 WeakPolarHBondContact O-CG2 3.47Å; L464-V468 PolarHBondContact O-N 2.71Å; K465-V468 PolarHBondContact O-N 2.71Å; V468-R470 PolarHBondContact O-N 2.83Å; V468-R470 VanDerWaalsContact O-N 3.16Å; V468-M471 HydrophobicContact CB-SD 4.32Å; V468-M471 HydrophobicContact CG1-SD 4.39Å; V468-M471 HydrophobicContact CG2-SD 3.99Å; V468-M471 WeakPolarHBondContact O-CB 3.46Å; V468-M471 PolarHBondContact O-N 3.33Å; V468-M471 VanDerWaalsContact O-N 3.16Å; V468-I478 HydrophobicContact CG2-CD1 4.09Å; V468-Y523 HydrophobicContact CG2-CD1 3.78Å; V468-Y523 HydrophobicContact CG2-CE1 3.86Å; V468-E524 WeakPolarHBondContact CG1-OE2 3.39Å
469	S	95.8	Very high	94.7	Very high	94 Å²	94	58.2 Å²	58.2	66%	0.657	30%	0.299	S	S	*	.	H	α-helix	trans	-62.3	-19.3	175.5	80.8	0	0	0	0	114.9	K465 D466 Y467	K465-S469 PolarHBondContact O-N 2.79Å; D466-S469 PolarHBondContact O-N 2.73Å; D466-S469 PolarHBondContact O-OG 3.22Å; Y467-S469 VanDerWaalsContact C-N 3.28Å; Y467-S469 PolarHBondContact O-N 2.86Å
470	R	95.1	Very high	95	Very high	107 Å²	107	52.3 Å²	52.3	40%	0.404	27%	0.266	S	S	.	.	H	α-helix	trans	-107.6	-2	177.9	-67.9	-169.7	-60.4	-82.8	-1.8	113.8	D466 Y467 V468 K472 E504	D466-R470 PolarHBondContact O-N 3.48Å; D466-R470 PolarHBondContact O-NH1 2.95Å; Y467-R470 CarbonylContact O-C 3.47Å; Y467-R470 PolarHBondContact O-N 2.81Å; V468-R470 PolarHBondContact O-N 2.83Å; V468-R470 VanDerWaalsContact O-N 3.16Å; R470-K472 PolarHBondContact O-N 3.48Å; R470-E504 IonicContact CZ-OE1 3.94Å; R470-E504 IonicContact CZ-OE2 2.68Å; R470-E504 IonicContact NE-OE1 3.94Å; R470-E504 IonicContact NE-OE2 2.73Å; R470-E504 PolarHBondContact NE-OE2 2.96Å; R470-E504 IonicContact NH2-OE1 2.69Å; R470-E504 PolarHBondContact NH2-OE1 2.82Å; R470-E504 IonicContact NH2-OE2 3.77Å; R470-E504 PolarHBondContact NH2-OE2 2.93Å
471	M	95.1	Very high	95.1	Very high	28 Å²	28	47.9 Å²	47.9	14%	0.138	25%	0.245	C	C	.	.			trans	-59	138.5	175.6	-74	-179.6	78.6	0	0	110.5	Y467 V468 Q475 D477 I478 K526	Y467-M471 HydrophobicContact CD1-CG 3.8Å; Y467-M471 HydrophobicContact CD1-SD 4.12Å; Y467-M471 HydrophobicContact CE1-CE 4.45Å; Y467-M471 HydrophobicContact CE1-CG 3.59Å; Y467-M471 HydrophobicContact CE1-SD 3.94Å; Y467-M471 PolarHBondContact O-N 3.24Å; Y467-M471 VanDerWaalsContact O-N 3.07Å; V468-M471 HydrophobicContact CB-SD 4.32Å; V468-M471 HydrophobicContact CG1-SD 4.39Å; V468-M471 HydrophobicContact CG2-SD 3.99Å; V468-M471 WeakPolarHBondContact O-CB 3.46Å; V468-M471 PolarHBondContact O-N 3.33Å; V468-M471 VanDerWaalsContact O-N 3.16Å; M471-Q475 HydrophobicContact CB-CB 4.49Å; M471-Q475 HydrophobicContact CE-CB 4.14Å; M471-Q475 HydrophobicContact CE-CG 3.64Å; M471-D477 VanDerWaalsContact CE-O 3.3Å; M471-D477 WeakPolarHBondContact CE-O 3.45Å; M471-I478 HydrophobicContact CE-CG1 4.45Å; M471-I478 HydrophobicContact SD-CG1 4.14Å; M471-K526 HydrophobicContact CE-CB 4.45Å; M471-K526 HydrophobicContact CE-CD 3.83Å; M471-K526 HydrophobicContact CE-CG 4.12Å; M471-K526 HydrophobicContact SD-CD 4.24Å; M471-K526 HydrophobicContact SD-CG 4.01Å
472	K	93.3	Very high	95.2	Very high	64 Å²	64	44.9 Å²	44.9	28%	0.278	23%	0.231	S	C	.	.			trans	-70.4	154.3	178.4	-58.9	-165.4	179.7	-179.9	0	111.7	R470 E474 Q475 R501 G502 F503	R470-K472 PolarHBondContact O-N 3.48Å; K472-E474 HydrophobicContact CB-CG 4.36Å; K472-E474 WeakPolarHBondContact CB-OE2 3.46Å; K472-E474 WeakPolarHBondContact CD-OE1 3.25Å; K472-E474 IonicContact NZ-OE1 3.27Å; K472-E474 PolarHBondContact O-N 3.22Å; K472-E474 VanDerWaalsContact O-N 3.15Å; K472-Q475 HydrophobicContact CB-CB 4.21Å; K472-Q475 VanDerWaalsContact O-CB 3.27Å; K472-Q475 WeakPolarHBondContact O-CB 3.38Å; K472-Q475 PolarHBondContact O-N 2.52Å; K472-R501 PolarHBondContact NZ-O 2.99Å; K472-G502 WeakPolarHBondContact CE-O 3.45Å; K472-F503 HydrophobicContact CB-CE1 4.3Å; K472-F503 HydrophobicContact CD-CD1 4.1Å; K472-F503 HydrophobicContact CD-CE1 3.73Å; K472-F503 HydrophobicContact CD-CZ 4.31Å; K472-F503 HydrophobicContact CG-CD1 4.35Å; K472-F503 HydrophobicContact CG-CE1 4.2Å
473	P	91.2	Very high	95.1	Very high	127 Å²	127	44.9 Å²	44.9	83%	0.825	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.1	178	-26.9	35.9	0	0	0	114.2	Q475	P473-Q475 VanDerWaalsContact C-N 3.32Å
474	E	90.1	Very high	94.8	Very high	91 Å²	91	50.5 Å²	50.5	43%	0.425	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-9.6	176.5	68.2	-87	-159.5	0	0	114.5	K472 F503 P539	K472-E474 HydrophobicContact CB-CG 4.36Å; K472-E474 WeakPolarHBondContact CB-OE2 3.46Å; K472-E474 WeakPolarHBondContact CD-OE1 3.25Å; K472-E474 IonicContact NZ-OE1 3.27Å; K472-E474 PolarHBondContact O-N 3.22Å; K472-E474 VanDerWaalsContact O-N 3.15Å; E474-F503 HydrophobicContact CG-CE1 4.34Å; E474-F503 HydrophobicContact CG-CZ 4.28Å; E474-P539 HydrophobicContact CB-CB 4.06Å; E474-P539 HydrophobicContact CB-CG 4.37Å; E474-P539 HydrophobicContact CG-CB 3.59Å; E474-P539 HydrophobicContact CG-CG 3.84Å
475	Q	92.8	Very high	94.7	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.014	28%	0.275	C	S	.	.			trans	-91.2	121.6	-170.4	-165.3	-175.7	-16.4	0	0	112.5	Y467 M471 K472 P473 D477 Y479 F503 K526	Y467-Q475 PolarHBondContact OH-NE2 3.25Å; M471-Q475 HydrophobicContact CB-CB 4.49Å; M471-Q475 HydrophobicContact CE-CB 4.14Å; M471-Q475 HydrophobicContact CE-CG 3.64Å; K472-Q475 HydrophobicContact CB-CB 4.21Å; K472-Q475 VanDerWaalsContact O-CB 3.27Å; K472-Q475 WeakPolarHBondContact O-CB 3.38Å; K472-Q475 PolarHBondContact O-N 2.52Å; P473-Q475 VanDerWaalsContact C-N 3.32Å; Q475-D477 WeakPolarHBondContact CG-O 3.49Å; Q475-D477 PolarHBondContact NE2-O 3.01Å; Q475-Y479 HydrophobicContact CG-CE2 4Å; Q475-F503 HydrophobicContact CB-CE1 4.24Å; Q475-F503 HydrophobicContact CG-CD1 4.23Å; Q475-F503 HydrophobicContact CG-CE1 4.31Å; Q475-K526 PolarHBondContact O-NZ 2.75Å
476	Q	91.6	Very high	94.5	Very high	111 Å²	111	49.3 Å²	49.3	52%	0.519	26%	0.26	S	S	.	.			trans	-103.9	-13.2	-179.6	-55.4	-49.5	-28.3	0	0	115.2	K526	Q476-K526 WeakPolarHBondContact O-CD 3.43Å
477	D	94.9	Very high	94.4	Very high	41 Å²	41	51.2 Å²	51.2	22%	0.219	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.3	-174.2	-59.6	-59.7	0	0	0	112.1	M471 Q475 K527 V529	M471-D477 VanDerWaalsContact CE-O 3.3Å; M471-D477 WeakPolarHBondContact CE-O 3.45Å; Q475-D477 WeakPolarHBondContact CG-O 3.49Å; Q475-D477 PolarHBondContact NE2-O 3.01Å; D477-K527 WeakPolarHBondContact OD1-CB 3.34Å; D477-K527 WeakPolarHBondContact OD1-CG 3.44Å; D477-K527 PolarHBondContact OD1-N 2.72Å; D477-V529 HydrophobicContact CB-CB 4.37Å; D477-V529 HydrophobicContact CB-CG2 3.65Å
478	I	96.5	Very high	94.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	113.2	176.9	-61.4	175.2	0	0	0	108.1	Y467 V468 M471 L506 Y523 K526 K527 L528 V529	Y467-I478 HydrophobicContact CD1-CB 4.39Å; Y467-I478 HydrophobicContact CD1-CG1 3.96Å; Y467-I478 HydrophobicContact CD1-CG2 3.95Å; Y467-I478 HydrophobicContact CE1-CB 3.9Å; Y467-I478 HydrophobicContact CE1-CG1 3.78Å; Y467-I478 HydrophobicContact CE1-CG2 3.68Å; Y467-I478 HydrophobicContact CE2-CG2 4.48Å; Y467-I478 HydrophobicContact CG-CG2 4.5Å; V468-I478 HydrophobicContact CG2-CD1 4.09Å; M471-I478 HydrophobicContact CE-CG1 4.45Å; M471-I478 HydrophobicContact SD-CG1 4.14Å; I478-L506 HydrophobicContact CG2-CD1 3.63Å; I478-L506 HydrophobicContact CG2-CG 4.37Å; I478-Y523 HydrophobicContact CD1-CD1 4.05Å; I478-Y523 HydrophobicContact CD1-CG 4.44Å; I478-K526 HydrophobicContact CD1-CB 4.2Å; I478-K526 HydrophobicContact CG1-CB 4Å; I478-K527 PolarHBondContact N-O 3.29Å; I478-L528 HydrophobicContact CB-CG 4.28Å; I478-L528 HydrophobicContact CD1-CD1 4.21Å; I478-L528 HydrophobicContact CG2-CG 4.34Å; I478-V529 PolarHBondContact O-N 3.27Å
479	Y	96.6	Very high	94	Very high	5 Å²	5	52.3 Å²	52.3	2%	0.02	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.7	179.7	-59.1	-62.3	0	0	0	110.9	Y467 Q475 L498 F503 V505 L506 V529 V531 L536 Q537	Y467-Y479 PolarHBondContact OH-N 3.33Å; Q475-Y479 HydrophobicContact CG-CE2 4Å; Y479-L498 HydrophobicContact CD1-CD2 4.3Å; Y479-L498 HydrophobicContact CD2-CD2 3.61Å; Y479-L498 HydrophobicContact CE1-CD2 4.39Å; Y479-L498 HydrophobicContact CE2-CD2 3.71Å; Y479-L498 HydrophobicContact CG-CD1 4.4Å; Y479-L498 HydrophobicContact CG-CD2 3.91Å; Y479-F503 HydrophobicContact CD2-CB 4.28Å; Y479-F503 HydrophobicContact CE2-CB 4.38Å; Y479-F503 HydrophobicContact CE2-CD1 4.23Å; Y479-F503 HydrophobicContact CE2-CG 4.27Å; Y479-V505 WeakPolarHBondContact O-CA 3.35Å; Y479-L506 PolarHBondContact O-N 3.2Å; Y479-V529 HydrophobicContact CD1-CB 4.25Å; Y479-V529 HydrophobicContact CD1-CG1 4.25Å; Y479-V529 HydrophobicContact CE1-CG1 4.43Å; Y479-V531 HydrophobicContact CD1-CG1 4.36Å; Y479-L536 HydrophobicContact CD1-CD1 3.85Å; Y479-L536 HydrophobicContact CE1-CD1 3.65Å; Y479-Q537 PolarHBondContact OH-O 2.77Å; Y479-Q537 VanDerWaalsContact OH-O 3.04Å
480	Y	96.7	Very high	93.9	Very high	22 Å²	22	51.8 Å²	51.8	9%	0.086	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	158.1	176.5	75.9	-88.3	0	0	0	112.8	T482 L506 M508 V517 L528 V529 C530 V531	Y480-T482 HydrophobicContact CD2-CG2 4.19Å; Y480-T482 HydrophobicContact CE2-CG2 4.02Å; Y480-L506 WeakPolarHBondContact CA-O 3.45Å; Y480-M508 HydrophobicContact CD2-CE 4.2Å; Y480-M508 HydrophobicContact CD2-SD 3.48Å; Y480-M508 WeakPolarHBondContact CD2-SD 3.38Å; Y480-M508 HydrophobicContact CE2-SD 4.11Å; Y480-M508 HydrophobicContact CG-CE 4.12Å; Y480-M508 HydrophobicContact CG-SD 4.01Å; Y480-V517 HydrophobicContact CE2-CB 4.15Å; Y480-V517 HydrophobicContact CE2-CG1 4.11Å; Y480-V517 HydrophobicContact CE2-CG2 3.81Å; Y480-V517 WeakPolarHBondContact OH-CG2 3.46Å; Y480-L528 HydrophobicContact CD1-CB 3.98Å; Y480-L528 HydrophobicContact CE1-CB 3.75Å; Y480-V529 WeakPolarHBondContact CD1-O 3.23Å; Y480-V529 VanDerWaalsContact CE1-C 3.49Å; Y480-V529 PolarHBondContact N-O 3.45Å; Y480-C530 HydrophobicContact CD2-CB 4.48Å; Y480-C530 HydrophobicContact CE1-CB 3.96Å; Y480-C530 HydrophobicContact CE2-CB 3.8Å; Y480-C530 WeakPolarHBondContact O-CA 3.43Å; Y480-V531 WeakPolarHBondContact O-CG2 3.35Å; Y480-V531 PolarHBondContact O-N 2.91Å
481	I	96.5	Very high	93.7	Very high	2 Å²	2	52 Å²	52	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.4	172.6	-178.2	166	0	0	0	110.3	V489 S492 F494 V505 L506 Y507 M508 V531 T532	I481-V489 HydrophobicContact CD1-CB 4.1Å; I481-V489 HydrophobicContact CD1-CG1 4.32Å; I481-V489 HydrophobicContact CG1-CB 4.08Å; I481-V489 HydrophobicContact CG1-CG1 4Å; I481-V489 HydrophobicContact CG2-CB 3.77Å; I481-V489 HydrophobicContact CG2-CG1 4.37Å; I481-V489 HydrophobicContact CG2-CG2 4.32Å; I481-S492 VanDerWaalsContact CD1-CB 3.44Å; I481-S492 WeakPolarHBondContact CD1-OG 3.4Å; I481-F494 HydrophobicContact CD1-CB 4.45Å; I481-F494 HydrophobicContact CD1-CD2 4.13Å; I481-V505 HydrophobicContact CB-CG1 4.49Å; I481-V505 HydrophobicContact CG2-CG1 3.96Å; I481-L506 PolarHBondContact N-O 3.19Å; I481-Y507 HydrophobicContact CG2-CD1 3.56Å; I481-Y507 HydrophobicContact CG2-CE1 4.02Å; I481-M508 WeakPolarHBondContact O-CB 3.38Å; I481-M508 PolarHBondContact O-N 3.01Å; I481-V531 HydrophobicContact CB-CG2 3.71Å; I481-V531 HydrophobicContact CD1-CG2 4.24Å; I481-V531 HydrophobicContact CG1-CG2 4.24Å; I481-T532 HydrophobicContact CD1-CG2 4.25Å; I481-T532 HydrophobicContact CG1-CG2 3.91Å
482	T	96.1	Very high	93.6	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.055	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	146.5	173.2	50.2	0	0	0	0	111	Y480 M508 E514	Y480-T482 HydrophobicContact CD2-CG2 4.19Å; Y480-T482 HydrophobicContact CE2-CG2 4.02Å; T482-M508 CarbonylContact C-O 3.52Å; T482-M508 WeakPolarHBondContact CA-O 3.19Å; T482-M508 HydrophobicContact CG2-CB 3.76Å; T482-M508 HydrophobicContact CG2-SD 4.21Å; T482-E514 WeakPolarHBondContact CB-OE1 3.49Å; T482-E514 HydrophobicContact CG2-CG 4.11Å; T482-E514 PolarHBondContact OG1-OE1 2.89Å
483	G	93.8	Very high	93.6	Very high	11 Å²	11	48.5 Å²	48.5	11%	0.113	26%	0.262	C	S	.	.			trans	-174.9	-168.5	176.8	0	0	0	0	0	113.8	M508	G483-M508 PolarHBondContact N-O 3.23Å
484	E	91.7	Very high	93.8	Very high	129 Å²	129	42.7 Å²	42.7	60%	0.603	22%	0.224	S	C	*	.	S	Bend	trans	-81.5	-24.9	-174.7	-53.1	-161.8	116.8	0	0	114.5	R599	E484-R599 WeakPolarHBondContact OE1-CD 3.42Å; E484-R599 IonicContact OE1-CZ 2.65Å; E484-R599 IonicContact OE1-NE 2.64Å; E484-R599 PolarHBondContact OE1-NE 2.64Å; E484-R599 IonicContact OE1-NH1 2.65Å; E484-R599 PolarHBondContact OE1-NH1 2.93Å
485	S	93.7	Very high	93.9	Very high	50 Å²	50	38.5 Å²	38.5	35%	0.35	20%	0.204	S	C	.	.			trans	-160.8	158.5	-177.6	69	0	0	0	0	111.4	Q487 A488 V489	S485-Q487 VanDerWaalsContact C-N 3.26Å; S485-Q487 PolarHBondContact O-N 2.96Å; S485-A488 PolarHBondContact O-N 3.19Å; S485-A488 VanDerWaalsContact O-N 3.16Å; S485-A488 WeakPolarHBondContact OG-CB 3.46Å; S485-A488 PolarHBondContact OG-N 2.83Å; S485-V489 PolarHBondContact O-N 2.93Å; S485-V489 VanDerWaalsContact O-N 3.11Å
486	K	93.5	Very high	93.8	Very high	44 Å²	44	39.6 Å²	39.6	19%	0.191	21%	0.21	C	C	.	.	H	α-helix	trans	-53.4	-43.3	175.4	-176.7	179.6	179.5	175.7	0	112	Y453 G458 D459 V489 M490 V509	Y453-K486 HydrophobicContact CD1-CD 4.45Å; Y453-K486 HydrophobicContact CD2-CD 4.19Å; Y453-K486 HydrophobicContact CG-CD 4.17Å; G458-K486 WeakPolarHBondContact O-CE 3.44Å; G458-K486 PolarHBondContact O-NZ 3.48Å; D459-K486 IonicContact OD1-NZ 2.66Å; D459-K486 PolarHBondContact OD1-NZ 3.4Å; K486-V489 WeakPolarHBondContact O-CG2 3.22Å; K486-V489 PolarHBondContact O-N 3.27Å; K486-M490 WeakPolarHBondContact O-CB 3.4Å; K486-M490 PolarHBondContact O-N 3.38Å; K486-V509 HydrophobicContact CB-CG1 4.44Å
487	Q	92.8	Very high	93.8	Very high	105 Å²	105	35.7 Å²	35.7	49%	0.491	19%	0.191	S	C	.	.	H	α-helix	trans	-66.2	-39	-179.5	-170.2	62.4	60.6	0	0	112.5	S485 M490 N491	S485-Q487 VanDerWaalsContact C-N 3.26Å; S485-Q487 PolarHBondContact O-N 2.96Å; Q487-M490 VanDerWaalsContact NE2-CE 3.3Å; Q487-N491 VanDerWaalsContact NE2-CG 3.29Å; Q487-N491 PolarHBondContact NE2-ND2 2.85Å; Q487-N491 PolarHBondContact NE2-OD1 2.76Å; Q487-N491 WeakPolarHBondContact O-CB 3.44Å; Q487-N491 PolarHBondContact O-N 2.78Å; Q487-N491 VanDerWaalsContact O-N 3.16Å
488	A	92.6	Very high	93.7	Very high	52 Å²	52	33.8 Å²	33.8	43%	0.43	18%	0.181	S	C	.	.	H	α-helix	trans	-67.8	-42.1	178.5	0	0	0	0	0	112.1	S485 S492	S485-A488 PolarHBondContact O-N 3.19Å; S485-A488 VanDerWaalsContact O-N 3.16Å; S485-A488 WeakPolarHBondContact OG-CB 3.46Å; S485-A488 PolarHBondContact OG-N 2.83Å; A488-S492 PolarHBondContact O-N 3.02Å
489	V	94	Very high	93.4	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-76.4	-32.4	178.8	-59.8	0	0	0	0	113.1	I481 S485 K486 S492 Y507 V509	I481-V489 HydrophobicContact CD1-CB 4.1Å; I481-V489 HydrophobicContact CD1-CG1 4.32Å; I481-V489 HydrophobicContact CG1-CB 4.08Å; I481-V489 HydrophobicContact CG1-CG1 4Å; I481-V489 HydrophobicContact CG2-CB 3.77Å; I481-V489 HydrophobicContact CG2-CG1 4.37Å; I481-V489 HydrophobicContact CG2-CG2 4.32Å; S485-V489 PolarHBondContact O-N 2.93Å; S485-V489 VanDerWaalsContact O-N 3.11Å; K486-V489 WeakPolarHBondContact O-CG2 3.22Å; K486-V489 PolarHBondContact O-N 3.27Å; V489-S492 VanDerWaalsContact O-CB 3.23Å; V489-S492 WeakPolarHBondContact O-CB 3.36Å; V489-S492 PolarHBondContact O-N 2.91Å; V489-Y507 HydrophobicContact CB-CD1 4.21Å; V489-Y507 HydrophobicContact CG2-CD1 3.54Å; V489-Y507 HydrophobicContact CG2-CE1 4.26Å; V489-Y507 HydrophobicContact CG2-CG 3.76Å; V489-V509 HydrophobicContact CG2-CG1 4.32Å
490	M	92.4	Very high	93.2	Very high	83 Å²	83	43 Å²	43	41%	0.409	23%	0.228	S	C	.	.	H	α-helix	trans	-67.2	-37.3	176	-176.2	176	72.8	0	0	112.3	K486 Q487 S492 Y507	K486-M490 WeakPolarHBondContact O-CB 3.4Å; K486-M490 PolarHBondContact O-N 3.38Å; Q487-M490 VanDerWaalsContact NE2-CE 3.3Å; M490-S492 VanDerWaalsContact C-N 3.28Å; M490-S492 PolarHBondContact O-N 2.94Å; M490-Y507 HydrophobicContact CB-CE2 4.22Å; M490-Y507 HydrophobicContact CG-CE2 4.33Å
491	N	91.4	Very high	92.9	Very high	113 Å²	113	45.2 Å²	45.2	60%	0.604	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	9.2	176	-68.8	4.4	0	0	0	113.4	Q487	Q487-N491 VanDerWaalsContact NE2-CG 3.29Å; Q487-N491 PolarHBondContact NE2-ND2 2.85Å; Q487-N491 PolarHBondContact NE2-OD1 2.76Å; Q487-N491 WeakPolarHBondContact O-CB 3.44Å; Q487-N491 PolarHBondContact O-N 2.78Å; Q487-N491 VanDerWaalsContact O-N 3.16Å
492	S	93.9	Very high	92.7	Very high	11 Å²	11	47.5 Å²	47.5	8%	0.077	26%	0.26	C	S	.	.			trans	-77.1	136.8	-170.2	-171.4	0	0	0	0	112.7	I481 A488 V489 M490 F494 A495	I481-S492 VanDerWaalsContact CD1-CB 3.44Å; I481-S492 WeakPolarHBondContact CD1-OG 3.4Å; A488-S492 PolarHBondContact O-N 3.02Å; V489-S492 VanDerWaalsContact O-CB 3.23Å; V489-S492 WeakPolarHBondContact O-CB 3.36Å; V489-S492 PolarHBondContact O-N 2.91Å; M490-S492 VanDerWaalsContact C-N 3.28Å; M490-S492 PolarHBondContact O-N 2.94Å; S492-F494 PolarHBondContact O-N 3.26Å; S492-F494 WeakPolarHBondContact OG-CD2 3.3Å; S492-A495 PolarHBondContact O-N 2.93Å; S492-A495 VanDerWaalsContact O-N 3.1Å
493	P	93.1	Very high	92.6	Very high	6 Å²	6	47.4 Å²	47.4	4%	0.039	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-55.2	-29.9	177.8	21.1	-34.3	0	0	0	113.4	A495 E496 L579 C585	P493-A495 VanDerWaalsContact C-N 3.26Å; P493-A495 PolarHBondContact O-N 3.25Å; P493-E496 WeakPolarHBondContact O-CG 3.48Å; P493-E496 PolarHBondContact O-N 2.98Å; P493-L579 HydrophobicContact CB-CD2 3.72Å; P493-L579 WeakPolarHBondContact O-CD2 3.34Å; P493-C585 HydrophobicContact CB-CB 4.19Å; P493-C585 HydrophobicContact CG-CB 4.11Å
494	F	94.4	Very high	92.7	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.026	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-66.4	-23.5	-178.2	-53.7	-57.5	0	0	0	114.3	I481 S492 V531 T532 C585 V586 V587 S661	I481-F494 HydrophobicContact CD1-CB 4.45Å; I481-F494 HydrophobicContact CD1-CD2 4.13Å; S492-F494 PolarHBondContact O-N 3.26Å; S492-F494 WeakPolarHBondContact OG-CD2 3.3Å; F494-V531 HydrophobicContact CB-CB 4.38Å; F494-V531 HydrophobicContact CB-CG2 3.81Å; F494-T532 HydrophobicContact CD2-CG2 3.62Å; F494-T532 HydrophobicContact CE2-CG2 3.77Å; F494-T532 HydrophobicContact CG-CG2 4.33Å; F494-C585 HydrophobicContact CD1-CB 4.24Å; F494-C585 HydrophobicContact CE1-CB 3.82Å; F494-V586 WeakPolarHBondContact CZ-O 3.32Å; F494-V587 HydrophobicContact CD1-CG1 4.25Å; F494-V587 HydrophobicContact CE1-CG1 3.74Å; F494-S661 VanDerWaalsContact CZ-OG 3.26Å; F494-S661 WeakPolarHBondContact CZ-OG 3.43Å
495	A	92.1	Very high	92.9	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.017	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-93	-9.2	-177.8	0	0	0	0	0	113.4	S492 P493 L498 T499	S492-A495 PolarHBondContact O-N 2.93Å; S492-A495 VanDerWaalsContact O-N 3.1Å; P493-A495 VanDerWaalsContact C-N 3.26Å; P493-A495 PolarHBondContact O-N 3.25Å; A495-L498 PolarHBondContact O-N 2.96Å; A495-T499 HydrophobicContact CB-CG2 4.47Å; A495-T499 WeakPolarHBondContact O-CG2 3.32Å; A495-T499 PolarHBondContact O-N 3.28Å; A495-T499 PolarHBondContact O-OG1 3.29Å; A495-T499 VanDerWaalsContact O-OG1 3.05Å
496	E	91.8	Very high	93.1	Very high	27 Å²	27	39.1 Å²	39.1	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-55.3	-61.7	-169.1	-74.9	-179.1	-179.4	0	0	114.1	P493 L498 T499 Q500 T580 N581 S582	P493-E496 WeakPolarHBondContact O-CG 3.48Å; P493-E496 PolarHBondContact O-N 2.98Å; E496-L498 VanDerWaalsContact C-N 3.32Å; E496-L498 PolarHBondContact O-N 2.66Å; E496-T499 PolarHBondContact O-OG1 3.32Å; E496-Q500 VanDerWaalsContact O-CB 3.31Å; E496-Q500 WeakPolarHBondContact O-CB 3.49Å; E496-Q500 PolarHBondContact O-N 3.17Å; E496-T580 HydrophobicContact CB-CG2 4.07Å; E496-T580 PolarHBondContact OE2-N 3.13Å; E496-T580 PolarHBondContact OE2-OG1 2.95Å; E496-N581 PolarHBondContact OE2-N 3.39Å; E496-S582 VanDerWaalsContact OE1-CB 3.27Å; E496-S582 WeakPolarHBondContact OE1-CB 3.17Å; E496-S582 PolarHBondContact OE1-N 2.99Å; E496-S582 VanDerWaalsContact OE1-N 3.15Å; E496-S582 PolarHBondContact OE1-OG 3.01Å; E496-S582 PolarHBondContact OE2-N 2.68Å; E496-S582 VanDerWaalsContact OE2-N 3.08Å
497	K	91.4	Very high	93.3	Very high	29 Å²	29	37.6 Å²	37.6	13%	0.126	21%	0.205	C	C	.	.	H	α-helix	trans	-74.6	-23.4	-177.4	-169.8	167.8	137.7	-157.4	0	112.6	R501 L538 E540 N577 R578 T580	K497-R501 VanDerWaalsContact CE-NE 3.28Å; K497-R501 HydrophobicContact CG-CG 4.32Å; K497-R501 VanDerWaalsContact O-CB 3.3Å; K497-R501 WeakPolarHBondContact O-CB 3.44Å; K497-R501 WeakPolarHBondContact O-CG 3.17Å; K497-R501 PolarHBondContact O-N 3.48Å; K497-L538 HydrophobicContact CD-CD1 4.29Å; K497-L538 HydrophobicContact CG-CD1 4.23Å; K497-E540 IonicContact NZ-OE1 2.73Å; K497-E540 PolarHBondContact NZ-OE1 3.47Å; K497-N577 WeakPolarHBondContact CD-O 3.39Å; K497-N577 VanDerWaalsContact CE-O 3.25Å; K497-N577 WeakPolarHBondContact CE-O 3.45Å; K497-N577 PolarHBondContact NZ-O 2.56Å; K497-R578 WeakPolarHBondContact CB-O 3.39Å; K497-R578 PolarHBondContact N-O 3.23Å; K497-T580 HydrophobicContact CB-CG2 3.61Å; K497-T580 HydrophobicContact CG-CG2 4.18Å
498	L	92.3	Very high	93.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-55.5	173.1	-85.1	163.7	0	0	0	110.8	Y479 A495 E496 R501 G502 F503 V505 V531 L536 L538	Y479-L498 HydrophobicContact CD1-CD2 4.3Å; Y479-L498 HydrophobicContact CD2-CD2 3.61Å; Y479-L498 HydrophobicContact CE1-CD2 4.39Å; Y479-L498 HydrophobicContact CE2-CD2 3.71Å; Y479-L498 HydrophobicContact CG-CD1 4.4Å; Y479-L498 HydrophobicContact CG-CD2 3.91Å; A495-L498 PolarHBondContact O-N 2.96Å; E496-L498 VanDerWaalsContact C-N 3.32Å; E496-L498 PolarHBondContact O-N 2.66Å; L498-R501 CarbonylContact O-C 3.58Å; L498-R501 PolarHBondContact O-N 2.93Å; L498-G502 PolarHBondContact O-N 3.29Å; L498-G502 VanDerWaalsContact O-N 3.15Å; L498-F503 HydrophobicContact CB-CB 4.46Å; L498-F503 HydrophobicContact CD2-CB 3.72Å; L498-F503 HydrophobicContact CD2-CD2 4.04Å; L498-F503 HydrophobicContact CD2-CG 4.11Å; L498-F503 PolarHBondContact O-N 3.43Å; L498-V505 HydrophobicContact CB-CG2 3.91Å; L498-V505 HydrophobicContact CD1-CG2 4.01Å; L498-V505 HydrophobicContact CG-CG2 4.47Å; L498-V531 HydrophobicContact CD1-CB 4.01Å; L498-V531 HydrophobicContact CD1-CG1 3.36Å; L498-L536 HydrophobicContact CD1-CD2 4.11Å; L498-L538 HydrophobicContact CD2-CD2 3.42Å; L498-L538 VanDerWaalsContact CD2-CD2 3.42Å; L498-L538 HydrophobicContact CG-CD2 3.82Å
499	T	91.6	Very high	93.6	Very high	60 Å²	60	32.1 Å²	32.1	37%	0.368	17%	0.173	S	C	.	.	H	α-helix	trans	-68.1	-36.2	179.4	58.4	0	0	0	0	111.9	A495 E496 R501 G502 V505	A495-T499 HydrophobicContact CB-CG2 4.47Å; A495-T499 WeakPolarHBondContact O-CG2 3.32Å; A495-T499 PolarHBondContact O-N 3.28Å; A495-T499 PolarHBondContact O-OG1 3.29Å; A495-T499 VanDerWaalsContact O-OG1 3.05Å; E496-T499 PolarHBondContact O-OG1 3.32Å; T499-R501 VanDerWaalsContact C-N 3.34Å; T499-R501 PolarHBondContact O-N 3.08Å; T499-G502 WeakPolarHBondContact O-CA 3.47Å; T499-G502 PolarHBondContact O-N 2.98Å; T499-V505 HydrophobicContact CG2-CG2 4.48Å
500	Q	90.8	Very high	93.7	Very high	139 Å²	139	33.9 Å²	33.9	65%	0.65	18%	0.182	S	C	*	.	H	α-helix	trans	-62.4	-37.5	172.7	-168.5	-172	44.5	0	0	112.6	E496 G502 T580	E496-Q500 VanDerWaalsContact O-CB 3.31Å; E496-Q500 WeakPolarHBondContact O-CB 3.49Å; E496-Q500 PolarHBondContact O-N 3.17Å; Q500-G502 PolarHBondContact O-N 3.38Å; Q500-T580 VanDerWaalsContact OE1-CG2 3.27Å
501	R	90.6	Very high	93.7	Very high	68 Å²	68	33.2 Å²	33.2	26%	0.257	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-1.5	170.8	-74.5	-170.5	176.3	-138.5	-12.6	113.2	K472 K497 L498 T499 F503 P539 E544	K472-R501 PolarHBondContact NZ-O 2.99Å; K497-R501 VanDerWaalsContact CE-NE 3.28Å; K497-R501 HydrophobicContact CG-CG 4.32Å; K497-R501 VanDerWaalsContact O-CB 3.3Å; K497-R501 WeakPolarHBondContact O-CB 3.44Å; K497-R501 WeakPolarHBondContact O-CG 3.17Å; K497-R501 PolarHBondContact O-N 3.48Å; L498-R501 CarbonylContact O-C 3.58Å; L498-R501 PolarHBondContact O-N 2.93Å; T499-R501 VanDerWaalsContact C-N 3.34Å; T499-R501 PolarHBondContact O-N 3.08Å; R501-F503 HydrophobicContact CB-CD2 3.65Å; R501-F503 HydrophobicContact CB-CE2 3.71Å; R501-P539 PolarHBondContact NH1-O 2.96Å; R501-E544 IonicContact CZ-OE1 2.69Å; R501-E544 IonicContact CZ-OE2 3.47Å; R501-E544 IonicContact NH1-OE1 3.65Å; R501-E544 IonicContact NH1-OE2 3.42Å; R501-E544 PolarHBondContact NH1-OE2 3.16Å; R501-E544 IonicContact NH2-OE1 3.2Å; R501-E544 PolarHBondContact NH2-OE1 2.85Å; R501-E544 IonicContact NH2-OE2 2.73Å; R501-E544 PolarHBondContact NH2-OE2 3.27Å
502	G	92.2	Very high	93.9	Very high	49 Å²	49	29.6 Å²	29.6	51%	0.505	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	27.8	-178.6	0	0	0	0	0	113.8	K472 L498 T499 Q500	K472-G502 WeakPolarHBondContact CE-O 3.45Å; L498-G502 PolarHBondContact O-N 3.29Å; L498-G502 VanDerWaalsContact O-N 3.15Å; T499-G502 WeakPolarHBondContact O-CA 3.47Å; T499-G502 PolarHBondContact O-N 2.98Å; Q500-G502 PolarHBondContact O-N 3.38Å
503	F	94.4	Very high	94	Very high	7 Å²	7	29.1 Å²	29.1	3%	0.031	16%	0.161	C	C	.	.			trans	-83.3	135	165.5	-66.8	-71.3	0	0	0	109.8	K472 E474 Q475 Y479 L498 R501 P539	K472-F503 HydrophobicContact CB-CE1 4.3Å; K472-F503 HydrophobicContact CD-CD1 4.1Å; K472-F503 HydrophobicContact CD-CE1 3.73Å; K472-F503 HydrophobicContact CD-CZ 4.31Å; K472-F503 HydrophobicContact CG-CD1 4.35Å; K472-F503 HydrophobicContact CG-CE1 4.2Å; E474-F503 HydrophobicContact CG-CE1 4.34Å; E474-F503 HydrophobicContact CG-CZ 4.28Å; Q475-F503 HydrophobicContact CB-CE1 4.24Å; Q475-F503 HydrophobicContact CG-CD1 4.23Å; Q475-F503 HydrophobicContact CG-CE1 4.31Å; Y479-F503 HydrophobicContact CD2-CB 4.28Å; Y479-F503 HydrophobicContact CE2-CB 4.38Å; Y479-F503 HydrophobicContact CE2-CD1 4.23Å; Y479-F503 HydrophobicContact CE2-CG 4.27Å; L498-F503 HydrophobicContact CB-CB 4.46Å; L498-F503 HydrophobicContact CD2-CB 3.72Å; L498-F503 HydrophobicContact CD2-CD2 4.04Å; L498-F503 HydrophobicContact CD2-CG 4.11Å; L498-F503 PolarHBondContact O-N 3.43Å; R501-F503 HydrophobicContact CB-CD2 3.65Å; R501-F503 HydrophobicContact CB-CE2 3.71Å; F503-P539 HydrophobicContact CE1-CG 4.05Å; F503-P539 HydrophobicContact CE2-CG 4.47Å; F503-P539 HydrophobicContact CZ-CB 4.04Å; F503-P539 HydrophobicContact CZ-CG 3.63Å
504	E	96	Very high	94	Very high	16 Å²	16	29.3 Å²	29.3	8%	0.075	16%	0.162	C	C	.	.			trans	-76.1	138.7	176.2	-166.9	169.9	165.8	0	0	110.2	S454 S455 A456 I462 Y467 R470	S454-E504 VanDerWaalsContact CB-OE1 3.23Å; S454-E504 WeakPolarHBondContact CB-OE1 3.5Å; S454-E504 PolarHBondContact OG-OE1 3.45Å; S455-E504 WeakPolarHBondContact OG-CA 3.24Å; A456-E504 HydrophobicContact CB-CG 3.91Å; I462-E504 WeakPolarHBondContact CD1-OE1 3.49Å; Y467-E504 HydrophobicContact CD2-CB 4.12Å; Y467-E504 HydrophobicContact CD2-CG 3.83Å; Y467-E504 HydrophobicContact CE2-CB 3.64Å; Y467-E504 HydrophobicContact CE2-CG 3.73Å; Y467-E504 VanDerWaalsContact CE2-O 3.27Å; Y467-E504 WeakPolarHBondContact CE2-O 3.43Å; Y467-E504 PolarHBondContact OH-O 3.36Å; R470-E504 IonicContact CZ-OE1 3.94Å; R470-E504 IonicContact CZ-OE2 2.68Å; R470-E504 IonicContact NE-OE1 3.94Å; R470-E504 IonicContact NE-OE2 2.73Å; R470-E504 PolarHBondContact NE-OE2 2.96Å; R470-E504 IonicContact NH2-OE1 2.69Å; R470-E504 PolarHBondContact NH2-OE1 2.82Å; R470-E504 IonicContact NH2-OE2 3.77Å; R470-E504 PolarHBondContact NH2-OE2 2.93Å
505	V	96.7	Very high	94	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.5	178.8	-173.6	0	0	0	0	108.8	S454 S455 Y479 I481 L498 T499 V531	S454-V505 CarbonylContact C-O 3.49Å; S454-V505 WeakPolarHBondContact CA-O 3.28Å; S454-V505 WeakPolarHBondContact CB-O 3.1Å; S455-V505 PolarHBondContact N-O 3.32Å; S455-V505 PolarHBondContact OG-N 3.03Å; Y479-V505 WeakPolarHBondContact O-CA 3.35Å; I481-V505 HydrophobicContact CB-CG1 4.49Å; I481-V505 HydrophobicContact CG2-CG1 3.96Å; L498-V505 HydrophobicContact CB-CG2 3.91Å; L498-V505 HydrophobicContact CD1-CG2 4.01Å; L498-V505 HydrophobicContact CG-CG2 4.47Å; T499-V505 HydrophobicContact CG2-CG2 4.48Å; V505-V531 HydrophobicContact CG1-CG1 4.4Å
506	L	97.6	Very high	94.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	135.8	176	-61.7	177.8	0	0	0	111.2	F452 I462 L464 Y467 I478 Y479 Y480 I481 M508	F452-L506 HydrophobicContact CB-CD2 4.37Å; F452-L506 HydrophobicContact CD2-CD1 4.4Å; I462-L506 HydrophobicContact CD1-CD2 3.85Å; I462-L506 HydrophobicContact CG1-CD2 4.41Å; L464-L506 HydrophobicContact CD2-CD1 3.54Å; Y467-L506 HydrophobicContact CD2-CD1 4.39Å; Y467-L506 HydrophobicContact CD2-CD2 3.52Å; Y467-L506 HydrophobicContact CD2-CG 3.79Å; Y467-L506 HydrophobicContact CE2-CD2 4.13Å; Y467-L506 HydrophobicContact CE2-CG 3.96Å; Y467-L506 HydrophobicContact CG-CD2 4.24Å; I478-L506 HydrophobicContact CG2-CD1 3.63Å; I478-L506 HydrophobicContact CG2-CG 4.37Å; Y479-L506 PolarHBondContact O-N 3.2Å; Y480-L506 WeakPolarHBondContact CA-O 3.45Å; I481-L506 PolarHBondContact N-O 3.19Å; L506-M508 HydrophobicContact CB-CE 4.42Å; L506-M508 HydrophobicContact CD1-CE 4.39Å
507	Y	97.4	Very high	94.2	Very high	12 Å²	12	30.3 Å²	30.3	5%	0.047	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.5	179	-63	-36.5	0	0	0	110.6	Y453 S454 S455 I481 V489 M490	Y453-Y507 PolarHBondContact O-N 3.25Å; S454-Y507 WeakPolarHBondContact O-CE2 3.19Å; S455-Y507 WeakPolarHBondContact CA-OH 3.18Å; S455-Y507 WeakPolarHBondContact CB-OH 3.39Å; I481-Y507 HydrophobicContact CG2-CD1 3.56Å; I481-Y507 HydrophobicContact CG2-CE1 4.02Å; V489-Y507 HydrophobicContact CB-CD1 4.21Å; V489-Y507 HydrophobicContact CG2-CD1 3.54Å; V489-Y507 HydrophobicContact CG2-CE1 4.26Å; V489-Y507 HydrophobicContact CG2-CG 3.76Å; M490-Y507 HydrophobicContact CB-CE2 4.22Å; M490-Y507 HydrophobicContact CG-CE2 4.33Å
508	M	97.1	Very high	94.2	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.5	179.3	-70.9	169.5	-173.9	0	0	109.6	F452 Y480 I481 T482 G483 L506 D513 V517	F452-M508 HydrophobicContact CD1-CE 4.25Å; F452-M508 HydrophobicContact CD1-CG 3.78Å; F452-M508 HydrophobicContact CD2-CE 4.31Å; F452-M508 HydrophobicContact CE1-CE 3.95Å; F452-M508 HydrophobicContact CE1-CG 3.82Å; F452-M508 HydrophobicContact CE1-SD 4.46Å; F452-M508 HydrophobicContact CE2-CE 4Å; F452-M508 HydrophobicContact CG-CE 4.43Å; F452-M508 HydrophobicContact CZ-CE 3.82Å; Y480-M508 HydrophobicContact CD2-CE 4.2Å; Y480-M508 HydrophobicContact CD2-SD 3.48Å; Y480-M508 WeakPolarHBondContact CD2-SD 3.38Å; Y480-M508 HydrophobicContact CE2-SD 4.11Å; Y480-M508 HydrophobicContact CG-CE 4.12Å; Y480-M508 HydrophobicContact CG-SD 4.01Å; I481-M508 WeakPolarHBondContact O-CB 3.38Å; I481-M508 PolarHBondContact O-N 3.01Å; T482-M508 CarbonylContact C-O 3.52Å; T482-M508 WeakPolarHBondContact CA-O 3.19Å; T482-M508 HydrophobicContact CG2-CB 3.76Å; T482-M508 HydrophobicContact CG2-SD 4.21Å; G483-M508 PolarHBondContact N-O 3.23Å; L506-M508 HydrophobicContact CB-CE 4.42Å; L506-M508 HydrophobicContact CD1-CE 4.39Å; M508-D513 WeakPolarHBondContact CA-OD2 3.36Å; M508-D513 HydrophobicContact CB-CB 3.73Å; M508-D513 HydrophobicContact CG-CB 4.13Å; M508-D513 HydrophobicContact SD-CB 4.45Å; M508-V517 HydrophobicContact CE-CG1 3.72Å; M508-V517 HydrophobicContact SD-CG1 3.45Å; M508-V517 WeakPolarHBondContact SD-CG1 3.35Å
509	V	95.3	Very high	94.3	Very high	39 Å²	39	35.3 Å²	35.3	24%	0.236	19%	0.193	C	C	.	.			trans	-140.2	-13.2	-161	-59.4	0	0	0	0	113.5	K486 V489 D513	K486-V509 HydrophobicContact CB-CG1 4.44Å; V489-V509 HydrophobicContact CG2-CG1 4.32Å; V509-D513 PolarHBondContact N-OD2 2.85Å
510	D	94.5	Very high	94.4	Very high	41 Å²	41	32.8 Å²	32.8	22%	0.219	18%	0.178	C	C	.	.	S	Bend	trans	-85.1	142.5	170.1	-73.2	-58.7	0	0	0	109.8	K433 I512 D513	K433-D510 IonicContact NZ-OD2 3.88Å; K433-D510 PolarHBondContact NZ-OD2 2.79Å; D510-I512 HydrophobicContact CB-CG2 3.96Å; D510-I512 PolarHBondContact O-N 3.38Å; D510-D513 PolarHBondContact N-OD2 2.86Å; D510-D513 WeakPolarHBondContact O-CB 3.41Å; D510-D513 PolarHBondContact O-N 2.96Å
511	P	93.8	Very high	94.4	Very high	68 Å²	68	35.5 Å²	35.5	44%	0.442	18%	0.182	S	C	.	.	H	α-helix	trans	-55.4	-25.9	172	-28.4	36.3	0	0	0	114.5	D513 Y515 I600	P511-D513 VanDerWaalsContact C-N 3.35Å; P511-Y515 WeakPolarHBondContact O-CD2 3.39Å; P511-I600 HydrophobicContact CB-CD1 3.95Å; P511-I600 HydrophobicContact CB-CG1 4.16Å; P511-I600 HydrophobicContact CB-CG2 4.43Å
512	I	94.6	Very high	94.6	Very high	37 Å²	37	37.4 Å²	37.4	19%	0.19	19%	0.193	C	C	.	.	H	α-helix	trans	-77.8	-15.7	177.7	-162.4	166.4	0	0	0	113.4	K430 K433 L434 D510 E514 Y515 A516	K430-I512 HydrophobicContact CG-CG2 4.45Å; K430-I512 WeakPolarHBondContact O-CD1 3.15Å; K433-I512 HydrophobicContact CB-CD1 4.3Å; K433-I512 HydrophobicContact CB-CG1 4.2Å; K433-I512 HydrophobicContact CB-CG2 3.84Å; K433-I512 HydrophobicContact CD-CG2 3.67Å; K433-I512 HydrophobicContact CG-CG2 4.39Å; L434-I512 HydrophobicContact CB-CD1 4Å; L434-I512 HydrophobicContact CD1-CD1 4.47Å; D510-I512 HydrophobicContact CB-CG2 3.96Å; D510-I512 PolarHBondContact O-N 3.38Å; I512-E514 VanDerWaalsContact C-N 3.29Å; I512-E514 PolarHBondContact O-N 3.49Å; I512-Y515 PolarHBondContact O-N 2.92Å; I512-Y515 VanDerWaalsContact O-N 3.12Å; I512-A516 PolarHBondContact O-N 3.14Å
513	D	96.6	Very high	94.8	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.011	17%	0.171	C	C	.	.	H	α-helix	trans	-61.1	-39.8	177.4	-69.8	-33.3	0	0	0	111.5	K433 M508 V509 D510 P511 Y515 A516 V517	K433-D513 VanDerWaalsContact CD-OD1 3.26Å; K433-D513 WeakPolarHBondContact CD-OD1 3.45Å; K433-D513 WeakPolarHBondContact CE-OD1 3.35Å; K433-D513 IonicContact NZ-OD1 3.61Å; K433-D513 PolarHBondContact NZ-OD1 3.49Å; K433-D513 IonicContact NZ-OD2 2.88Å; M508-D513 WeakPolarHBondContact CA-OD2 3.36Å; M508-D513 HydrophobicContact CB-CB 3.73Å; M508-D513 HydrophobicContact CG-CB 4.13Å; M508-D513 HydrophobicContact SD-CB 4.45Å; V509-D513 PolarHBondContact N-OD2 2.85Å; D510-D513 PolarHBondContact N-OD2 2.86Å; D510-D513 WeakPolarHBondContact O-CB 3.41Å; D510-D513 PolarHBondContact O-N 2.96Å; P511-D513 VanDerWaalsContact C-N 3.35Å; D513-Y515 VanDerWaalsContact C-N 3.31Å; D513-Y515 PolarHBondContact O-N 3.38Å; D513-A516 WeakPolarHBondContact O-CB 3.4Å; D513-A516 PolarHBondContact O-N 3.17Å; D513-A516 VanDerWaalsContact O-N 3.12Å; D513-V517 WeakPolarHBondContact O-CG2 3.32Å; D513-V517 PolarHBondContact O-N 2.78Å
514	E	93.8	Very high	94.7	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.047	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-38.8	174.2	-74.6	-79.6	-175.4	0	0	112.7	T482 I512 T518 S594 N596 M597 I600	T482-E514 WeakPolarHBondContact CB-OE1 3.49Å; T482-E514 HydrophobicContact CG2-CG 4.11Å; T482-E514 PolarHBondContact OG1-OE1 2.89Å; I512-E514 VanDerWaalsContact C-N 3.29Å; I512-E514 PolarHBondContact O-N 3.49Å; E514-T518 WeakPolarHBondContact O-CG2 3.38Å; E514-T518 PolarHBondContact O-N 3.18Å; E514-T518 PolarHBondContact O-OG1 3.31Å; E514-S594 VanDerWaalsContact CD-OG 3.27Å; E514-S594 PolarHBondContact OE1-OG 2.9Å; E514-S594 PolarHBondContact OE2-OG 3.06Å; E514-N596 VanDerWaalsContact CG-ND2 3.33Å; E514-N596 WeakPolarHBondContact CG-ND2 3.09Å; E514-N596 WeakPolarHBondContact OE1-CB 3.28Å; E514-N596 PolarHBondContact OE1-ND2 3.33Å; E514-N596 VanDerWaalsContact OE1-ND2 3.1Å; E514-M597 HydrophobicContact CB-CE 3.7Å; E514-M597 HydrophobicContact CB-SD 4.13Å; E514-M597 HydrophobicContact CG-CB 4.48Å; E514-I600 HydrophobicContact CB-CD1 4.45Å; E514-I600 HydrophobicContact CG-CD1 4.01Å
515	Y	93.1	Very high	94.5	Very high	45 Å²	45	45.9 Å²	45.9	18%	0.176	22%	0.224	C	C	.	.	H	α-helix	trans	-73.8	-28.7	176.6	-68	-93.6	0	0	0	112.2	H437 P511 I512 D513 T518 H519 I600 M601 Q604	H437-Y515 AromaticContact CE1-CD1 3.94Å; H437-Y515 PolarHBondContact ND1-O 2.78Å; P511-Y515 WeakPolarHBondContact O-CD2 3.39Å; I512-Y515 PolarHBondContact O-N 2.92Å; I512-Y515 VanDerWaalsContact O-N 3.12Å; D513-Y515 VanDerWaalsContact C-N 3.31Å; D513-Y515 PolarHBondContact O-N 3.38Å; Y515-T518 PolarHBondContact O-OG1 2.9Å; Y515-H519 PolarHBondContact O-ND1 2.9Å; Y515-H519 VanDerWaalsContact O-ND1 3.1Å; Y515-I600 HydrophobicContact CE2-CG2 4.11Å; Y515-M601 HydrophobicContact CE1-CE 3.79Å; Y515-M601 VanDerWaalsContact OH-CE 3.32Å; Y515-M601 WeakPolarHBondContact OH-CE 3.48Å; Y515-Q604 PolarHBondContact OH-NE2 3.37Å; Y515-Q604 PolarHBondContact OH-OE1 3.5Å
516	A	95	Very high	94.4	Very high	3 Å²	3	48.1 Å²	48.1	3%	0.025	23%	0.234	C	C	.	.	H	α-helix	trans	-75.3	-50.3	175.5	0	0	0	0	0	112.2	K433 I436 I512 D513 T518 H519 L520	K433-A516 HydrophobicContact CB-CB 4.46Å; I436-A516 HydrophobicContact CB-CB 4.21Å; I436-A516 HydrophobicContact CG2-CB 3.85Å; I512-A516 PolarHBondContact O-N 3.14Å; D513-A516 WeakPolarHBondContact O-CB 3.4Å; D513-A516 PolarHBondContact O-N 3.17Å; D513-A516 VanDerWaalsContact O-N 3.12Å; A516-T518 VanDerWaalsContact C-N 3.34Å; A516-T518 PolarHBondContact O-N 3.12Å; A516-H519 PolarHBondContact O-N 3.31Å; A516-L520 PolarHBondContact O-N 2.97Å
517	V	93.8	Very high	94.3	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.048	26%	0.26	C	S	.	.	H	α-helix	trans	-69.8	-25.1	-175.8	-62.8	0	0	0	0	114.5	Y480 M508 D513 H519 L528	Y480-V517 HydrophobicContact CE2-CB 4.15Å; Y480-V517 HydrophobicContact CE2-CG1 4.11Å; Y480-V517 HydrophobicContact CE2-CG2 3.81Å; Y480-V517 WeakPolarHBondContact OH-CG2 3.46Å; M508-V517 HydrophobicContact CE-CG1 3.72Å; M508-V517 HydrophobicContact SD-CG1 3.45Å; M508-V517 WeakPolarHBondContact SD-CG1 3.35Å; D513-V517 WeakPolarHBondContact O-CG2 3.32Å; D513-V517 PolarHBondContact O-N 2.78Å; V517-H519 PolarHBondContact O-N 3.01Å; V517-L528 HydrophobicContact CG1-CD2 4.45Å
518	T	90.9	Very high	94.2	Very high	62 Å²	62	54.4 Å²	54.4	38%	0.38	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.2	170.2	43.1	0	0	0	0	112.8	E514 Y515 A516 M597	E514-T518 WeakPolarHBondContact O-CG2 3.38Å; E514-T518 PolarHBondContact O-N 3.18Å; E514-T518 PolarHBondContact O-OG1 3.31Å; Y515-T518 PolarHBondContact O-OG1 2.9Å; A516-T518 VanDerWaalsContact C-N 3.34Å; A516-T518 PolarHBondContact O-N 3.12Å; T518-M597 HydrophobicContact CG2-CE 4.02Å
519	H	93.7	Very high	94.1	Very high	72 Å²	72	56.1 Å²	56.1	33%	0.333	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-35.8	179.9	-68	75.1	0	0	0	112.6	H437 Y515 A516 V517 R521	H437-H519 AromaticContact CE1-CE1 3.38Å; H437-H519 PolarHBondContact CE1-CE1 2.86Å; H437-H519 AromaticContact CE1-ND1 3.8Å; H437-H519 AromaticContact ND1-CE1 3.35Å; H437-H519 PolarHBondContact ND1-CE1 3.4Å; H437-H519 AromaticContact ND1-ND1 3.29Å; H437-H519 PolarHBondContact ND1-ND1 2.67Å; Y515-H519 PolarHBondContact O-ND1 2.9Å; Y515-H519 VanDerWaalsContact O-ND1 3.1Å; A516-H519 PolarHBondContact O-N 3.31Å; V517-H519 PolarHBondContact O-N 3.01Å; H519-R521 VanDerWaalsContact C-N 3.3Å; H519-R521 PolarHBondContact O-N 3.08Å
520	L	94.8	Very high	94	Very high	8 Å²	8	54.8 Å²	54.8	4%	0.042	27%	0.265	C	S	.	.			trans	-82	69.5	173.2	-170.7	64.6	0	0	0	111.3	I436 R443 L450 L464 A516 Q522 L528	I436-L520 HydrophobicContact CG2-CB 3.99Å; R443-L520 HydrophobicContact CG-CD1 4.38Å; L450-L520 HydrophobicContact CD1-CD2 3.58Å; L464-L520 HydrophobicContact CD1-CD2 3.86Å; A516-L520 PolarHBondContact O-N 2.97Å; L520-Q522 VanDerWaalsContact C-N 3.33Å; L520-Q522 PolarHBondContact O-N 3.48Å; L520-L528 HydrophobicContact CD2-CD2 4.1Å; L520-L528 HydrophobicContact CG-CD1 4.49Å; L520-L528 HydrophobicContact CG-CD2 4.19Å
521	R	90.5	Very high	94.1	Very high	196 Å²	196	52.8 Å²	52.8	74%	0.74	25%	0.254	S	S	*	.			trans	-70	-26.2	-176.2	-61.5	-176.9	-178.1	-177.5	0.4	114.4	H519 L528	H519-R521 VanDerWaalsContact C-N 3.3Å; H519-R521 PolarHBondContact O-N 3.08Å; R521-L528 PolarHBondContact O-N 2.63Å
522	Q	94.3	Very high	94.1	Very high	107 Å²	107	50.1 Å²	50.1	50%	0.5	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	155.7	179.8	64.2	178.1	60.8	0	0	111.2	L520 K526	L520-Q522 VanDerWaalsContact C-N 3.33Å; L520-Q522 PolarHBondContact O-N 3.48Å; Q522-K526 CarbonylContact C-O 3.56Å; Q522-K526 WeakPolarHBondContact CA-O 3.42Å; Q522-K526 WeakPolarHBondContact CB-O 3.4Å
523	Y	96.2	Very high	93.9	Very high	9 Å²	9	50.6 Å²	50.6	4%	0.035	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	131.2	174.8	178.2	-96.3	0	0	0	108.3	S447 E448 L464 V468 I478 N525 K526	S447-Y523 WeakPolarHBondContact OG-CD2 3.18Å; E448-Y523 VanDerWaalsContact CD-OH 3.25Å; E448-Y523 WeakPolarHBondContact OE1-CE2 3.29Å; E448-Y523 VanDerWaalsContact OE1-CZ 3.24Å; E448-Y523 PolarHBondContact OE1-OH 3.4Å; E448-Y523 PolarHBondContact OE2-OH 3.28Å; L464-Y523 HydrophobicContact CB-CD1 3.72Å; L464-Y523 HydrophobicContact CB-CD2 4.1Å; L464-Y523 HydrophobicContact CB-CE1 3.55Å; L464-Y523 HydrophobicContact CB-CE2 3.97Å; L464-Y523 HydrophobicContact CB-CG 3.99Å; L464-Y523 HydrophobicContact CD1-CD2 3.75Å; L464-Y523 HydrophobicContact CD1-CE2 4.19Å; L464-Y523 HydrophobicContact CD1-CG 3.94Å; V468-Y523 HydrophobicContact CG2-CD1 3.78Å; V468-Y523 HydrophobicContact CG2-CE1 3.86Å; I478-Y523 HydrophobicContact CD1-CD1 4.05Å; I478-Y523 HydrophobicContact CD1-CG 4.44Å; Y523-N525 PolarHBondContact O-N 3.3Å; Y523-K526 PolarHBondContact N-O 3.44Å; Y523-K526 WeakPolarHBondContact O-CB 3.48Å; Y523-K526 PolarHBondContact O-N 3.1Å; Y523-K526 VanDerWaalsContact O-O 3.13Å
524	E	93.3	Very high	93.6	Very high	104 Å²	104	52.4 Å²	52.4	49%	0.486	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	36.4	-172.2	-64.3	-165.4	134.4	0	0	115	V468 K526	V468-E524 WeakPolarHBondContact CG1-OE2 3.39Å; E524-K526 PolarHBondContact O-N 3.05Å
525	N	91.6	Very high	93.1	Very high	137 Å²	137	54.8 Å²	54.8	73%	0.733	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	2.2	-174.3	-47.6	-71.4	0	0	0	116.5	Y523	Y523-N525 PolarHBondContact O-N 3.3Å
526	K	95	Very high	92.8	Very high	47 Å²	47	53 Å²	53	20%	0.204	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	134	166.2	-56.3	-70.3	-175.4	167.6	0	108.7	M471 Q475 Q476 I478 Q522 Y523 E524	M471-K526 HydrophobicContact CE-CB 4.45Å; M471-K526 HydrophobicContact CE-CD 3.83Å; M471-K526 HydrophobicContact CE-CG 4.12Å; M471-K526 HydrophobicContact SD-CD 4.24Å; M471-K526 HydrophobicContact SD-CG 4.01Å; Q475-K526 PolarHBondContact O-NZ 2.75Å; Q476-K526 WeakPolarHBondContact O-CD 3.43Å; I478-K526 HydrophobicContact CD1-CB 4.2Å; I478-K526 HydrophobicContact CG1-CB 4Å; Q522-K526 CarbonylContact C-O 3.56Å; Q522-K526 WeakPolarHBondContact CA-O 3.42Å; Q522-K526 WeakPolarHBondContact CB-O 3.4Å; Y523-K526 PolarHBondContact N-O 3.44Å; Y523-K526 WeakPolarHBondContact O-CB 3.48Å; Y523-K526 PolarHBondContact O-N 3.1Å; Y523-K526 VanDerWaalsContact O-O 3.13Å; E524-K526 PolarHBondContact O-N 3.05Å
527	K	95.2	Very high	92.2	Very high	128 Å²	128	60.7 Å²	60.7	56%	0.557	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	155.5	178.3	-51.7	171.9	-178.5	170.6	0	110.3	D477 I478 V529	D477-K527 WeakPolarHBondContact OD1-CB 3.34Å; D477-K527 WeakPolarHBondContact OD1-CG 3.44Å; D477-K527 PolarHBondContact OD1-N 2.72Å; I478-K527 PolarHBondContact N-O 3.29Å; K527-V529 HydrophobicContact CB-CG2 4.49Å
528	L	95.4	Very high	91.7	Very high	18 Å²	18	60.9 Å²	60.9	9%	0.094	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	116.3	168.1	-79.3	75.8	0	0	0	109	I478 Y480 V517 L520 R521	I478-L528 HydrophobicContact CB-CG 4.28Å; I478-L528 HydrophobicContact CD1-CD1 4.21Å; I478-L528 HydrophobicContact CG2-CG 4.34Å; Y480-L528 HydrophobicContact CD1-CB 3.98Å; Y480-L528 HydrophobicContact CE1-CB 3.75Å; V517-L528 HydrophobicContact CG1-CD2 4.45Å; L520-L528 HydrophobicContact CD2-CD2 4.1Å; L520-L528 HydrophobicContact CG-CD1 4.49Å; L520-L528 HydrophobicContact CG-CD2 4.19Å; R521-L528 PolarHBondContact O-N 2.63Å
529	V	94.5	Very high	91.4	Very high	37 Å²	37	59.7 Å²	59.7	22%	0.224	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.2	-176.2	172.9	0	0	0	0	110.3	D477 I478 Y479 Y480 K527 V531 L536	D477-V529 HydrophobicContact CB-CB 4.37Å; D477-V529 HydrophobicContact CB-CG2 3.65Å; I478-V529 PolarHBondContact O-N 3.27Å; Y479-V529 HydrophobicContact CD1-CB 4.25Å; Y479-V529 HydrophobicContact CD1-CG1 4.25Å; Y479-V529 HydrophobicContact CE1-CG1 4.43Å; Y480-V529 WeakPolarHBondContact CD1-O 3.23Å; Y480-V529 VanDerWaalsContact CE1-C 3.49Å; Y480-V529 PolarHBondContact N-O 3.45Å; K527-V529 HydrophobicContact CB-CG2 4.49Å; V529-V531 PolarHBondContact O-N 2.82Å; V529-L536 HydrophobicContact CG1-CD1 3.92Å
530	C	94.4	Very high	90.9	Very high	11 Å²	11	57.9 Å²	57.9	7%	0.074	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	118.6	177.5	-169.6	0	0	0	0	110.7	Y480 T532 K533	Y480-C530 HydrophobicContact CD2-CB 4.48Å; Y480-C530 HydrophobicContact CE1-CB 3.96Å; Y480-C530 HydrophobicContact CE2-CB 3.8Å; Y480-C530 WeakPolarHBondContact O-CA 3.43Å; C530-T532 PolarHBondContact O-N 3.19Å; C530-T532 VanDerWaalsContact O-N 3.15Å; C530-T532 PolarHBondContact SG-OG1 2.81Å; C530-T532 VanDerWaalsContact SG-OG1 3.4Å; C530-K533 HydrophobicContact CB-CD 4.3Å; C530-K533 HydrophobicContact CB-CG 4.3Å; C530-K533 PolarHBondContact O-N 3.28Å
531	V	94.6	Very high	90.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-8.8	-174.6	-52.8	0	0	0	0	113.7	Y479 Y480 I481 F494 L498 V505 V529 L536 R578	Y479-V531 HydrophobicContact CD1-CG1 4.36Å; Y480-V531 WeakPolarHBondContact O-CG2 3.35Å; Y480-V531 PolarHBondContact O-N 2.91Å; I481-V531 HydrophobicContact CB-CG2 3.71Å; I481-V531 HydrophobicContact CD1-CG2 4.24Å; I481-V531 HydrophobicContact CG1-CG2 4.24Å; F494-V531 HydrophobicContact CB-CB 4.38Å; F494-V531 HydrophobicContact CB-CG2 3.81Å; L498-V531 HydrophobicContact CD1-CB 4.01Å; L498-V531 HydrophobicContact CD1-CG1 3.36Å; V505-V531 HydrophobicContact CG1-CG1 4.4Å; V529-V531 PolarHBondContact O-N 2.82Å; V531-L536 HydrophobicContact CB-CD2 4.31Å; V531-L536 HydrophobicContact CG1-CD1 4.46Å; V531-R578 PolarHBondContact O-NH1 3.24Å
532	T	94	Very high	90.2	Very high	12 Å²	12	56.6 Å²	56.6	7%	0.074	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-9.3	175.2	82.4	0	0	0	0	113.3	I481 F494 C530 V587 T588	I481-T532 HydrophobicContact CD1-CG2 4.25Å; I481-T532 HydrophobicContact CG1-CG2 3.91Å; F494-T532 HydrophobicContact CD2-CG2 3.62Å; F494-T532 HydrophobicContact CE2-CG2 3.77Å; F494-T532 HydrophobicContact CG-CG2 4.33Å; C530-T532 PolarHBondContact O-N 3.19Å; C530-T532 VanDerWaalsContact O-N 3.15Å; C530-T532 PolarHBondContact SG-OG1 2.81Å; C530-T532 VanDerWaalsContact SG-OG1 3.4Å; T532-V587 WeakPolarHBondContact O-CA 3.03Å; T532-V587 WeakPolarHBondContact O-CB 3.19Å; T532-T588 PolarHBondContact O-N 3.03Å
533	K	91.8	Very high	90	Very high	46 Å²	46	57.6 Å²	57.6	20%	0.2	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-94.1	155.5	-178.6	-72.3	-173.2	158.6	-162.7	0	111.6	C530 R578 T588 E590 G592	C530-K533 HydrophobicContact CB-CD 4.3Å; C530-K533 HydrophobicContact CB-CG 4.3Å; C530-K533 PolarHBondContact O-N 3.28Å; K533-R578 PolarHBondContact O-NH1 3.48Å; K533-R578 PolarHBondContact O-NH2 2.91Å; K533-T588 CarbonylContact C-O 3.59Å; K533-T588 VanDerWaalsContact CA-O 3.27Å; K533-T588 WeakPolarHBondContact CA-O 3.36Å; K533-T588 WeakPolarHBondContact CG-OG1 3.37Å; K533-E590 PolarHBondContact NZ-O 2.99Å; K533-G592 PolarHBondContact NZ-O 3Å
534	D	89	Confident	89.6	Confident	40 Å²	40	60.1 Å²	60.1	21%	0.214	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	167.7	173.7	78.3	-34.3	0	0	0	112.1	L536 V587 T588 S589 E590 Q620	D534-L536 VanDerWaalsContact C-N 3.32Å; D534-L536 PolarHBondContact O-N 2.84Å; D534-V587 HydrophobicContact CB-CG2 3.87Å; D534-T588 PolarHBondContact N-O 2.95Å; D534-S589 VanDerWaalsContact OD1-CA 3.29Å; D534-S589 WeakPolarHBondContact OD1-CA 3.44Å; D534-E590 PolarHBondContact OD1-N 3.3Å; D534-Q620 PolarHBondContact OD2-NE2 3.05Å
535	G	83.1	Confident	89.3	Confident	61 Å²	61	59.6 Å²	59.6	63%	0.629	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	11.5	178.9	0	0	0	0	0	116.1	Q537	G535-Q537 PolarHBondContact O-N 3.29Å
536	L	86.8	Confident	89.3	Confident	7 Å²	7	59.3 Å²	59.3	4%	0.037	30%	0.303	C	S	.	.			trans	-57.4	105.7	174.8	178.4	64.2	0	0	0	111.6	Y479 L498 V529 V531 D534 L538 R578	Y479-L536 HydrophobicContact CD1-CD1 3.85Å; Y479-L536 HydrophobicContact CE1-CD1 3.65Å; L498-L536 HydrophobicContact CD1-CD2 4.11Å; V529-L536 HydrophobicContact CG1-CD1 3.92Å; V531-L536 HydrophobicContact CB-CD2 4.31Å; V531-L536 HydrophobicContact CG1-CD1 4.46Å; D534-L536 VanDerWaalsContact C-N 3.32Å; D534-L536 PolarHBondContact O-N 2.84Å; L536-L538 HydrophobicContact CD1-CD2 4.46Å; L536-L538 HydrophobicContact CD2-CD2 4.3Å; L536-L538 HydrophobicContact CG-CD2 4.17Å; L536-R578 HydrophobicContact CD2-CB 4Å
537	Q	82.9	Confident	89	Confident	164 Å²	164	61.5 Å²	61.5	77%	0.766	31%	0.314	S	S	*	.			trans	-89.8	119.8	174.1	-65.5	-178.3	22.5	0	0	109.7	Y479 G535	Y479-Q537 PolarHBondContact OH-O 2.77Å; Y479-Q537 VanDerWaalsContact OH-O 3.04Å; G535-Q537 PolarHBondContact O-N 3.29Å
538	L	83.7	Confident	88.8	Confident	13 Å²	13	57.2 Å²	57.2	7%	0.068	30%	0.295	C	S	.	.			trans	-94.2	148.6	168.8	-58	-177.8	0	0	0	108.8	K497 L498 L536 E540 N577	K497-L538 HydrophobicContact CD-CD1 4.29Å; K497-L538 HydrophobicContact CG-CD1 4.23Å; L498-L538 HydrophobicContact CD2-CD2 3.42Å; L498-L538 VanDerWaalsContact CD2-CD2 3.42Å; L498-L538 HydrophobicContact CG-CD2 3.82Å; L536-L538 HydrophobicContact CD1-CD2 4.46Å; L536-L538 HydrophobicContact CD2-CD2 4.3Å; L536-L538 HydrophobicContact CG-CD2 4.17Å; L538-E540 HydrophobicContact CB-CG 4.1Å; L538-E540 PolarHBondContact O-N 3.46Å; L538-N577 WeakPolarHBondContact CD1-O 3.32Å
539	P	84.2	Confident	88.5	Confident	37 Å²	37	61.1 Å²	61.1	24%	0.24	31%	0.313	C	S	.	.			trans	-58.8	109.8	162.9	-25.5	36.4	0	0	0	110	E474 R501 F503	E474-P539 HydrophobicContact CB-CB 4.06Å; E474-P539 HydrophobicContact CB-CG 4.37Å; E474-P539 HydrophobicContact CG-CB 3.59Å; E474-P539 HydrophobicContact CG-CG 3.84Å; R501-P539 PolarHBondContact NH1-O 2.96Å; F503-P539 HydrophobicContact CE1-CG 4.05Å; F503-P539 HydrophobicContact CE2-CG 4.47Å; F503-P539 HydrophobicContact CZ-CB 4.04Å; F503-P539 HydrophobicContact CZ-CG 3.63Å
540	E	83.2	Confident	88.4	Confident	34 Å²	34	66 Å²	66	16%	0.159	33%	0.333	C	S	.	.			trans	-131.8	142.9	-176.8	-72.2	-178.6	144.1	0	0	109.3	K497 L538 E544 K545 N577	K497-E540 IonicContact NZ-OE1 2.73Å; K497-E540 PolarHBondContact NZ-OE1 3.47Å; L538-E540 HydrophobicContact CB-CG 4.1Å; L538-E540 PolarHBondContact O-N 3.46Å; E540-E544 VanDerWaalsContact CA-OE2 3.24Å; E540-E544 WeakPolarHBondContact CA-OE2 3.34Å; E540-E544 HydrophobicContact CB-CB 4.22Å; E540-K545 HydrophobicContact CB-CG 4.31Å; E540-K545 VanDerWaalsContact O-CE 3.23Å; E540-K545 WeakPolarHBondContact O-CE 3.38Å; E540-N577 PolarHBondContact OE2-ND2 3.17Å; E540-N577 VanDerWaalsContact OE2-ND2 3.16Å
541	S	84.4	Confident	88.3	Confident	56 Å²	56	67.4 Å²	67.4	39%	0.392	34%	0.34	S	S	.	.			trans	-74.3	162.1	-179.2	88.6	0	0	0	0	112.2	E543 E544 K545	S541-E543 PolarHBondContact O-N 2.77Å; S541-E543 VanDerWaalsContact O-N 3.12Å; S541-E543 PolarHBondContact OG-N 2.72Å; S541-E543 VanDerWaalsContact OG-N 3.14Å; S541-E544 PolarHBondContact N-OE2 3.24Å; S541-E544 VanDerWaalsContact N-OE2 3.16Å; S541-E544 PolarHBondContact O-N 3.34Å; S541-E544 VanDerWaalsContact O-N 3.16Å; S541-E544 PolarHBondContact OG-N 2.83Å; S541-E544 VanDerWaalsContact OG-N 3.08Å; S541-K545 WeakPolarHBondContact O-CG 3.28Å; S541-K545 PolarHBondContact O-N 2.63Å
542	E	87.6	Confident	88.2	Confident	121 Å²	121	71.9 Å²	71.9	57%	0.565	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-11.3	172.6	-67.7	-57.6	123.4	0	0	113.8	K545 K546	E542-K545 IonicContact OE1-NZ 3.53Å; E542-K545 PolarHBondContact OE1-NZ 3.28Å; E542-K546 VanDerWaalsContact O-CD 3.25Å; E542-K546 WeakPolarHBondContact O-CD 3.43Å; E542-K546 WeakPolarHBondContact O-CE 3.34Å; E542-K546 VanDerWaalsContact O-CG 3.3Å; E542-K546 WeakPolarHBondContact O-CG 3.34Å
543	E	89.3	Confident	88.2	Confident	127 Å²	127	74.3 Å²	74.3	59%	0.593	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-46.5	170	-168.7	-179.6	165.2	0	0	110.9	S541 K545 K546 Q547	S541-E543 PolarHBondContact O-N 2.77Å; S541-E543 VanDerWaalsContact O-N 3.12Å; S541-E543 PolarHBondContact OG-N 2.72Å; S541-E543 VanDerWaalsContact OG-N 3.14Å; E543-K545 VanDerWaalsContact C-N 3.3Å; E543-K545 PolarHBondContact O-N 3.14Å; E543-K546 PolarHBondContact O-N 2.9Å; E543-K546 VanDerWaalsContact O-N 3.09Å; E543-Q547 WeakPolarHBondContact O-CG 3.44Å; E543-Q547 PolarHBondContact O-N 3.29Å; E543-Q547 PolarHBondContact OE1-NE2 3.12Å
544	E	86.9	Confident	88.3	Confident	63 Å²	63	74.4 Å²	74.4	29%	0.294	39%	0.387	S	S	.	.	H	α-helix	trans	-58.4	-41.5	176.8	-66.9	-174.3	140.8	0	0	111.9	R501 E540 S541 K546 Q547 F548	R501-E544 IonicContact CZ-OE1 2.69Å; R501-E544 IonicContact CZ-OE2 3.47Å; R501-E544 IonicContact NH1-OE1 3.65Å; R501-E544 IonicContact NH1-OE2 3.42Å; R501-E544 PolarHBondContact NH1-OE2 3.16Å; R501-E544 IonicContact NH2-OE1 3.2Å; R501-E544 PolarHBondContact NH2-OE1 2.85Å; R501-E544 IonicContact NH2-OE2 2.73Å; R501-E544 PolarHBondContact NH2-OE2 3.27Å; E540-E544 VanDerWaalsContact CA-OE2 3.24Å; E540-E544 WeakPolarHBondContact CA-OE2 3.34Å; E540-E544 HydrophobicContact CB-CB 4.22Å; S541-E544 PolarHBondContact N-OE2 3.24Å; S541-E544 VanDerWaalsContact N-OE2 3.16Å; S541-E544 PolarHBondContact O-N 3.34Å; S541-E544 VanDerWaalsContact O-N 3.16Å; S541-E544 PolarHBondContact OG-N 2.83Å; S541-E544 VanDerWaalsContact OG-N 3.08Å; E544-K546 VanDerWaalsContact C-N 3.32Å; E544-K546 PolarHBondContact O-N 3.22Å; E544-Q547 PolarHBondContact O-N 2.93Å; E544-F548 WeakPolarHBondContact O-CB 3.31Å; E544-F548 PolarHBondContact O-N 3.19Å
545	K	87.4	Confident	88.6	Confident	92 Å²	92	73.2 Å²	73.2	40%	0.4	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-39.5	175.5	-69.1	172.1	-166.6	172.3	0	112.5	E540 S541 E542 E543 F548 E549	E540-K545 HydrophobicContact CB-CG 4.31Å; E540-K545 VanDerWaalsContact O-CE 3.23Å; E540-K545 WeakPolarHBondContact O-CE 3.38Å; S541-K545 WeakPolarHBondContact O-CG 3.28Å; S541-K545 PolarHBondContact O-N 2.63Å; E542-K545 IonicContact OE1-NZ 3.53Å; E542-K545 PolarHBondContact OE1-NZ 3.28Å; E543-K545 VanDerWaalsContact C-N 3.3Å; E543-K545 PolarHBondContact O-N 3.14Å; K545-F548 PolarHBondContact O-N 2.91Å; K545-E549 WeakPolarHBondContact O-CG 3.4Å; K545-E549 PolarHBondContact O-N 3.49Å
546	K	91	Very high	89.1	Confident	132 Å²	132	75 Å²	75	57%	0.574	37%	0.372	S	S	*	.	H	α-helix	trans	-70	-48.1	178.7	-71.1	171.7	-171.2	171.3	0	111.1	E542 E543 E544 F548 E549 E550	E542-K546 VanDerWaalsContact O-CD 3.25Å; E542-K546 WeakPolarHBondContact O-CD 3.43Å; E542-K546 WeakPolarHBondContact O-CE 3.34Å; E542-K546 VanDerWaalsContact O-CG 3.3Å; E542-K546 WeakPolarHBondContact O-CG 3.34Å; E543-K546 PolarHBondContact O-N 2.9Å; E543-K546 VanDerWaalsContact O-N 3.09Å; E544-K546 VanDerWaalsContact C-N 3.32Å; E544-K546 PolarHBondContact O-N 3.22Å; K546-F548 PolarHBondContact O-N 3.46Å; K546-E549 PolarHBondContact O-N 3.12Å; K546-E550 WeakPolarHBondContact O-CG 3.21Å; K546-E550 PolarHBondContact O-N 2.85Å
547	Q	90.2	Very high	89.4	Confident	93 Å²	93	78.5 Å²	78.5	44%	0.435	39%	0.394	S	S	.	.	H	α-helix	trans	-57.3	-37.2	174.3	-66.2	177.4	10.9	0	0	111.3	E543 E544 L551	E543-Q547 WeakPolarHBondContact O-CG 3.44Å; E543-Q547 PolarHBondContact O-N 3.29Å; E543-Q547 PolarHBondContact OE1-NE2 3.12Å; E544-Q547 PolarHBondContact O-N 2.93Å; Q547-L551 WeakPolarHBondContact O-CB 3.44Å; Q547-L551 VanDerWaalsContact O-CG 3.29Å; Q547-L551 WeakPolarHBondContact O-CG 3.28Å; Q547-L551 PolarHBondContact O-N 3.23Å
548	F	89.7	Confident	89.9	Confident	38 Å²	38	70.9 Å²	70.9	17%	0.167	36%	0.358	C	S	.	.	H	α-helix	trans	-70	-42	176.6	-172.8	-108.4	0	0	0	113.5	E544 K545 K546 L551 K552 I575 S576 N577	E544-F548 WeakPolarHBondContact O-CB 3.31Å; E544-F548 PolarHBondContact O-N 3.19Å; K545-F548 PolarHBondContact O-N 2.91Å; K546-F548 PolarHBondContact O-N 3.46Å; F548-L551 PolarHBondContact O-N 3.25Å; F548-K552 WeakPolarHBondContact O-CB 3.31Å; F548-K552 PolarHBondContact O-N 3.06Å; F548-I575 HydrophobicContact CE2-CG2 3.97Å; F548-I575 HydrophobicContact CZ-CG2 4.43Å; F548-S576 WeakPolarHBondContact CE2-O 3.32Å; F548-N577 HydrophobicContact CD2-CB 4.19Å; F548-N577 HydrophobicContact CE1-CB 4.29Å; F548-N577 HydrophobicContact CE2-CB 3.75Å; F548-N577 HydrophobicContact CZ-CB 3.8Å
549	E	90.5	Very high	90.4	Very high	100 Å²	100	70.9 Å²	70.9	47%	0.467	36%	0.359	S	S	.	.	H	α-helix	trans	-66.9	-36.9	174.6	-72.4	-65.7	133	0	0	112.3	K545 K546 K552 A553	K545-E549 WeakPolarHBondContact O-CG 3.4Å; K545-E549 PolarHBondContact O-N 3.49Å; K546-E549 PolarHBondContact O-N 3.12Å; E549-K552 PolarHBondContact O-N 3.12Å; E549-K552 WeakPolarHBondContact OE1-CD 3.32Å; E549-K552 IonicContact OE1-NZ 2.66Å; E549-K552 PolarHBondContact OE1-NZ 2.9Å; E549-K552 WeakPolarHBondContact OE2-CD 3.47Å; E549-K552 IonicContact OE2-NZ 3.5Å; E549-K552 PolarHBondContact OE2-NZ 2.91Å; E549-A553 WeakPolarHBondContact O-CB 3.44Å; E549-A553 PolarHBondContact O-N 2.61Å
550	E	92.4	Very high	90.9	Very high	140 Å²	140	74 Å²	74	65%	0.654	37%	0.369	S	S	*	.	H	α-helix	trans	-62.6	-46.1	171.6	-73.4	174.6	-168.3	0	0	111.8	K546 A553 S554	K546-E550 WeakPolarHBondContact O-CG 3.21Å; K546-E550 PolarHBondContact O-N 2.85Å; E550-A553 PolarHBondContact O-N 2.72Å; E550-S554 WeakPolarHBondContact O-CB 3.49Å; E550-S554 PolarHBondContact O-N 2.72Å
551	L	91.6	Very high	91.3	Very high	40 Å²	40	75 Å²	75	21%	0.209	37%	0.373	C	S	.	.	H	α-helix	trans	-59.6	-49.9	174	-80.2	166.9	0	0	0	111.4	Q547 F548 A553 S554 Y555 Y626	Q547-L551 WeakPolarHBondContact O-CB 3.44Å; Q547-L551 VanDerWaalsContact O-CG 3.29Å; Q547-L551 WeakPolarHBondContact O-CG 3.28Å; Q547-L551 PolarHBondContact O-N 3.23Å; F548-L551 PolarHBondContact O-N 3.25Å; L551-A553 VanDerWaalsContact C-N 3.34Å; L551-A553 PolarHBondContact O-N 2.81Å; L551-S554 CarbonylContact O-C 3.54Å; L551-S554 WeakPolarHBondContact O-CA 3.43Å; L551-S554 WeakPolarHBondContact O-CB 3.5Å; L551-S554 PolarHBondContact O-N 3.43Å; L551-S554 PolarHBondContact O-OG 2.71Å; L551-Y555 HydrophobicContact CD2-CE2 4.38Å; L551-Y555 WeakPolarHBondContact O-CD2 3.42Å; L551-Y555 PolarHBondContact O-N 2.76Å; L551-Y555 VanDerWaalsContact O-N 3.14Å; L551-Y626 HydrophobicContact CD1-CE1 4.16Å; L551-Y626 WeakPolarHBondContact CD1-OH 3.46Å
552	K	92.9	Very high	91.8	Very high	93 Å²	93	72.5 Å²	72.5	40%	0.404	36%	0.355	S	S	.	.	H	α-helix	trans	-55.8	-44.3	178.6	173.5	-171.5	169.4	-158.1	0	112.1	F548 E549 Y555 E556	F548-K552 WeakPolarHBondContact O-CB 3.31Å; F548-K552 PolarHBondContact O-N 3.06Å; E549-K552 PolarHBondContact O-N 3.12Å; E549-K552 WeakPolarHBondContact OE1-CD 3.32Å; E549-K552 IonicContact OE1-NZ 2.66Å; E549-K552 PolarHBondContact OE1-NZ 2.9Å; E549-K552 WeakPolarHBondContact OE2-CD 3.47Å; E549-K552 IonicContact OE2-NZ 3.5Å; E549-K552 PolarHBondContact OE2-NZ 2.91Å; K552-Y555 PolarHBondContact O-N 3.14Å; K552-E556 PolarHBondContact O-N 2.77Å
553	A	93.5	Very high	92.1	Very high	63 Å²	63	70.1 Å²	70.1	52%	0.521	34%	0.344	S	S	.	.	H	α-helix	trans	-62.6	-44.5	171.7	0	0	0	0	0	111.6	E549 E550 L551 Y555 E556	E549-A553 WeakPolarHBondContact O-CB 3.44Å; E549-A553 PolarHBondContact O-N 2.61Å; E550-A553 PolarHBondContact O-N 2.72Å; L551-A553 VanDerWaalsContact C-N 3.34Å; L551-A553 PolarHBondContact O-N 2.81Å; A553-Y555 PolarHBondContact O-N 2.81Å; A553-Y555 VanDerWaalsContact O-N 3.08Å; A553-E556 WeakPolarHBondContact O-CB 3.25Å; A553-E556 PolarHBondContact O-N 2.81Å; A553-E556 VanDerWaalsContact O-N 3.15Å
554	S	93.9	Very high	92.3	Very high	49 Å²	49	70.5 Å²	70.5	34%	0.343	35%	0.346	S	S	.	.	H	α-helix	trans	-65.6	-11.1	-179.5	84.2	0	0	0	0	115.2	E550 L551 K634	E550-S554 WeakPolarHBondContact O-CB 3.49Å; E550-S554 PolarHBondContact O-N 2.72Å; L551-S554 CarbonylContact O-C 3.54Å; L551-S554 WeakPolarHBondContact O-CA 3.43Å; L551-S554 WeakPolarHBondContact O-CB 3.5Å; L551-S554 PolarHBondContact O-N 3.43Å; L551-S554 PolarHBondContact O-OG 2.71Å; S554-K634 VanDerWaalsContact O-CE 3.28Å; S554-K634 WeakPolarHBondContact O-CE 3.46Å; S554-K634 PolarHBondContact O-NZ 3.38Å
555	Y	95.5	Very high	92.5	Very high	14 Å²	14	69.5 Å²	69.5	6%	0.055	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	4.1	175.4	-78.1	-92.3	0	0	0	113.5	L551 K552 A553 T557 L558 C559 I575 P625 I630 K631 K634	L551-Y555 HydrophobicContact CD2-CE2 4.38Å; L551-Y555 WeakPolarHBondContact O-CD2 3.42Å; L551-Y555 PolarHBondContact O-N 2.76Å; L551-Y555 VanDerWaalsContact O-N 3.14Å; K552-Y555 PolarHBondContact O-N 3.14Å; A553-Y555 PolarHBondContact O-N 2.81Å; A553-Y555 VanDerWaalsContact O-N 3.08Å; Y555-T557 PolarHBondContact O-N 3.23Å; Y555-T557 VanDerWaalsContact O-N 3.16Å; Y555-L558 HydrophobicContact CD1-CB 4.46Å; Y555-L558 HydrophobicContact CD1-CD2 3.91Å; Y555-L558 HydrophobicContact CE1-CD2 4.33Å; Y555-L558 PolarHBondContact O-N 3.47Å; Y555-C559 PolarHBondContact O-N 3.08Å; Y555-I575 VanDerWaalsContact CB-CD1 3.49Å; Y555-I575 HydrophobicContact CD1-CD1 4.32Å; Y555-I575 HydrophobicContact CD2-CD1 4.4Å; Y555-I575 HydrophobicContact CG-CD1 3.86Å; Y555-I575 HydrophobicContact CG-CG1 4.43Å; Y555-P625 HydrophobicContact CD2-CB 4.07Å; Y555-P625 HydrophobicContact CE2-CB 3.59Å; Y555-P625 PolarHBondContact OH-O 2.78Å; Y555-I630 HydrophobicContact CD1-CG2 4.43Å; Y555-I630 HydrophobicContact CE1-CG2 3.97Å; Y555-K631 WeakPolarHBondContact OH-CG 3.5Å; Y555-K634 HydrophobicContact CD1-CB 4.24Å; Y555-K634 HydrophobicContact CD1-CD 3.74Å; Y555-K634 HydrophobicContact CD1-CG 4.3Å; Y555-K634 HydrophobicContact CE1-CB 3.86Å; Y555-K634 HydrophobicContact CE1-CD 3.54Å; Y555-K634 HydrophobicContact CE1-CG 4.19Å; Y555-K634 HydrophobicContact CE2-CD 4.49Å; Y555-K634 HydrophobicContact CG-CD 4.3Å
556	E	93.3	Very high	92.7	Very high	100 Å²	100	65.3 Å²	65.3	47%	0.467	32%	0.324	S	S	.	.	H	α-helix	trans	-55.8	-38.3	-174.7	-166.6	-171.6	158.3	0	0	112.5	K552 A553 C559 K560	K552-E556 PolarHBondContact O-N 2.77Å; A553-E556 WeakPolarHBondContact O-CB 3.25Å; A553-E556 PolarHBondContact O-N 2.81Å; A553-E556 VanDerWaalsContact O-N 3.15Å; E556-C559 PolarHBondContact O-N 3.41Å; E556-K560 WeakPolarHBondContact O-CG 2.94Å; E556-K560 PolarHBondContact O-N 2.89Å; E556-K560 VanDerWaalsContact O-N 3.1Å; E556-K560 WeakPolarHBondContact OE1-CE 3.07Å; E556-K560 IonicContact OE1-NZ 3.53Å; E556-K560 PolarHBondContact OE1-NZ 2.87Å
557	T	92.4	Very high	92.7	Very high	80 Å²	80	61 Å²	61	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-60.8	-48.1	174.3	-49.5	0	0	0	0	112.1	Y555 C559 K560 E561	Y555-T557 PolarHBondContact O-N 3.23Å; Y555-T557 VanDerWaalsContact O-N 3.16Å; T557-C559 VanDerWaalsContact C-N 3.34Å; T557-C559 PolarHBondContact O-N 3.45Å; T557-K560 PolarHBondContact O-N 2.97Å; T557-E561 PolarHBondContact O-N 3.38Å
558	L	93.9	Very high	92.6	Very high	4 Å²	4	66.8 Å²	66.8	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-63.3	-41.3	179.3	-178.9	67.1	0	0	0	111.2	Y555 K560 E561 I562 L623 I630 L633 K634 F637	Y555-L558 HydrophobicContact CD1-CB 4.46Å; Y555-L558 HydrophobicContact CD1-CD2 3.91Å; Y555-L558 HydrophobicContact CE1-CD2 4.33Å; Y555-L558 PolarHBondContact O-N 3.47Å; L558-K560 VanDerWaalsContact C-N 3.32Å; L558-K560 PolarHBondContact O-N 3.46Å; L558-E561 PolarHBondContact O-N 2.86Å; L558-I562 HydrophobicContact CD1-CD1 3.84Å; L558-I562 HydrophobicContact CD1-CG1 4.12Å; L558-I562 HydrophobicContact CD2-CD1 4.23Å; L558-I562 HydrophobicContact CG-CD1 3.76Å; L558-I562 HydrophobicContact CG-CG1 4.35Å; L558-I562 WeakPolarHBondContact O-CB 3.36Å; L558-I562 WeakPolarHBondContact O-CG1 3.02Å; L558-I562 PolarHBondContact O-N 3.11Å; L558-L623 HydrophobicContact CD2-CD1 4.44Å; L558-I630 HydrophobicContact CD2-CG2 4.07Å; L558-L633 HydrophobicContact CD1-CB 4.24Å; L558-L633 HydrophobicContact CD2-CB 4.41Å; L558-K634 HydrophobicContact CD2-CB 4.11Å; L558-F637 HydrophobicContact CD1-CB 4.29Å; L558-F637 HydrophobicContact CD1-CD2 3.44Å; L558-F637 VanDerWaalsContact CD1-CD2 3.44Å; L558-F637 HydrophobicContact CD1-CE2 4.07Å; L558-F637 HydrophobicContact CD1-CG 4.06Å
559	C	94.9	Very high	92.4	Very high	12 Å²	12	68.9 Å²	68.9	8%	0.081	35%	0.354	C	S	.	.	H	α-helix	trans	-59.6	-42.8	176.2	-67.3	0	0	0	0	111.6	Y555 E556 T557 Q563 V573	Y555-C559 PolarHBondContact O-N 3.08Å; E556-C559 PolarHBondContact O-N 3.41Å; T557-C559 VanDerWaalsContact C-N 3.34Å; T557-C559 PolarHBondContact O-N 3.45Å; C559-Q563 VanDerWaalsContact O-CB 3.24Å; C559-Q563 WeakPolarHBondContact O-CB 3.17Å; C559-Q563 PolarHBondContact O-N 3.01Å; C559-V573 HydrophobicContact CB-CB 4.25Å; C559-V573 HydrophobicContact CB-CG1 4.08Å
560	K	94.1	Very high	92.5	Very high	104 Å²	104	64.5 Å²	64.5	45%	0.452	33%	0.334	S	S	.	.	H	α-helix	trans	-66.2	-40.3	176.9	-72.1	169.9	-176.7	168.2	0	113.2	E556 T557 L558 Q563 Q564	E556-K560 WeakPolarHBondContact O-CG 2.94Å; E556-K560 PolarHBondContact O-N 2.89Å; E556-K560 VanDerWaalsContact O-N 3.1Å; E556-K560 WeakPolarHBondContact OE1-CE 3.07Å; E556-K560 IonicContact OE1-NZ 3.53Å; E556-K560 PolarHBondContact OE1-NZ 2.87Å; T557-K560 PolarHBondContact O-N 2.97Å; L558-K560 VanDerWaalsContact C-N 3.32Å; L558-K560 PolarHBondContact O-N 3.46Å; K560-Q563 PolarHBondContact O-N 3.25Å; K560-Q564 WeakPolarHBondContact O-CG 3.48Å; K560-Q564 PolarHBondContact O-N 3.27Å; K560-Q564 PolarHBondContact O-NE2 3.03Å
561	E	92.5	Very high	92.4	Very high	55 Å²	55	61.9 Å²	61.9	26%	0.257	32%	0.321	S	S	.	.	H	α-helix	trans	-66.8	-45.9	176.8	-72	-60.1	115	0	0	111.7	T557 L558 Q563 Q564 I565 F637	T557-E561 PolarHBondContact O-N 3.38Å; L558-E561 PolarHBondContact O-N 2.86Å; E561-Q563 VanDerWaalsContact C-N 3.32Å; E561-Q563 PolarHBondContact O-N 2.76Å; E561-Q564 PolarHBondContact O-N 2.84Å; E561-Q564 PolarHBondContact OE1-NE2 3.46Å; E561-I565 WeakPolarHBondContact O-CG1 3.49Å; E561-I565 PolarHBondContact O-N 2.78Å; E561-F637 HydrophobicContact CB-CD1 3.72Å; E561-F637 HydrophobicContact CB-CE1 3.84Å; E561-F637 HydrophobicContact CB-CG 4.33Å; E561-F637 HydrophobicContact CG-CD1 3.82Å; E561-F637 HydrophobicContact CG-CE1 4.33Å
562	I	94.1	Very high	92.5	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-39	175.7	-68.8	176.3	0	0	0	111	L558 Q564 I565 L566 V573 L621 L623 V650	L558-I562 HydrophobicContact CD1-CD1 3.84Å; L558-I562 HydrophobicContact CD1-CG1 4.12Å; L558-I562 HydrophobicContact CD2-CD1 4.23Å; L558-I562 HydrophobicContact CG-CD1 3.76Å; L558-I562 HydrophobicContact CG-CG1 4.35Å; L558-I562 WeakPolarHBondContact O-CB 3.36Å; L558-I562 WeakPolarHBondContact O-CG1 3.02Å; L558-I562 PolarHBondContact O-N 3.11Å; I562-Q564 PolarHBondContact O-N 2.65Å; I562-I565 PolarHBondContact O-N 3.48Å; I562-L566 HydrophobicContact CG2-CD1 3.7Å; I562-L566 HydrophobicContact CG2-CG 4.26Å; I562-L566 WeakPolarHBondContact O-CG 3.4Å; I562-L566 PolarHBondContact O-N 3.08Å; I562-V573 HydrophobicContact CB-CG1 4.34Å; I562-V573 HydrophobicContact CG2-CG1 4.08Å; I562-V573 HydrophobicContact CG2-CG2 4.05Å; I562-L621 HydrophobicContact CG2-CD2 3.92Å; I562-L623 HydrophobicContact CD1-CD1 3.81Å; I562-L623 HydrophobicContact CD1-CD2 4.5Å; I562-V650 HydrophobicContact CB-CG1 4.34Å; I562-V650 HydrophobicContact CG1-CG1 4.08Å; I562-V650 HydrophobicContact CG1-CG2 4.19Å; I562-V650 HydrophobicContact CG2-CG1 3.89Å
563	Q	94.4	Very high	92.6	Very high	71 Å²	71	60.3 Å²	60.3	33%	0.332	31%	0.314	S	S	.	.	H	α-helix	trans	-65.5	-36.6	176.1	-168.1	174.1	5.4	0	0	112.4	C559 K560 E561 G567 V570 E571 V573	C559-Q563 VanDerWaalsContact O-CB 3.24Å; C559-Q563 WeakPolarHBondContact O-CB 3.17Å; C559-Q563 PolarHBondContact O-N 3.01Å; K560-Q563 PolarHBondContact O-N 3.25Å; E561-Q563 VanDerWaalsContact C-N 3.32Å; E561-Q563 PolarHBondContact O-N 2.76Å; Q563-G567 PolarHBondContact O-N 3.05Å; Q563-V570 HydrophobicContact CG-CG1 4.42Å; Q563-E571 PolarHBondContact NE2-O 2.91Å; Q563-V573 HydrophobicContact CB-CB 4.27Å; Q563-V573 HydrophobicContact CB-CG2 3.69Å; Q563-V573 HydrophobicContact CG-CG2 4.2Å
564	Q	92.6	Very high	92.6	Very high	135 Å²	135	58.6 Å²	58.6	63%	0.631	30%	0.298	S	S	*	.	H	α-helix	trans	-66.2	-38.8	172.9	-76.6	173.1	82.7	0	0	112.5	K560 E561 I562	K560-Q564 WeakPolarHBondContact O-CG 3.48Å; K560-Q564 PolarHBondContact O-N 3.27Å; K560-Q564 PolarHBondContact O-NE2 3.03Å; E561-Q564 PolarHBondContact O-N 2.84Å; E561-Q564 PolarHBondContact OE1-NE2 3.46Å; I562-Q564 PolarHBondContact O-N 2.65Å
565	I	91.8	Very high	92.7	Very high	42 Å²	42	56.8 Å²	56.8	22%	0.215	29%	0.285	C	S	.	.	H	α-helix	trans	-67.6	-46.6	178.6	-68.4	161.4	0	0	0	111.3	E561 I562 F637 R647 V650	E561-I565 WeakPolarHBondContact O-CG1 3.49Å; E561-I565 PolarHBondContact O-N 2.78Å; I562-I565 PolarHBondContact O-N 3.48Å; I565-F637 HydrophobicContact CD1-CE1 3.9Å; I565-F637 HydrophobicContact CD1-CZ 3.51Å; I565-R647 HydrophobicContact CD1-CB 4.35Å; I565-R647 HydrophobicContact CD1-CG 3.94Å; I565-R647 HydrophobicContact CG1-CG 4.23Å; I565-R647 HydrophobicContact CG2-CB 4.34Å; I565-V650 HydrophobicContact CB-CG1 4.2Å; I565-V650 HydrophobicContact CD1-CB 4.44Å; I565-V650 HydrophobicContact CD1-CG1 4.29Å; I565-V650 HydrophobicContact CD1-CG2 4.45Å; I565-V650 HydrophobicContact CG2-CB 4.24Å; I565-V650 HydrophobicContact CG2-CG1 3.8Å
566	L	91.8	Very high	92.4	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-77.9	-21.7	-178.8	-61.6	176.3	0	0	0	112.8	I562 K568 N569 V570 L621 V650 F654	I562-L566 HydrophobicContact CG2-CD1 3.7Å; I562-L566 HydrophobicContact CG2-CG 4.26Å; I562-L566 WeakPolarHBondContact O-CG 3.4Å; I562-L566 PolarHBondContact O-N 3.08Å; L566-K568 PolarHBondContact O-N 3.07Å; L566-K568 VanDerWaalsContact O-N 3.17Å; L566-N569 VanDerWaalsContact O-CB 3.26Å; L566-N569 WeakPolarHBondContact O-CB 3.29Å; L566-N569 PolarHBondContact O-N 3.03Å; L566-N569 PolarHBondContact O-ND2 3.25Å; L566-V570 HydrophobicContact CB-CG1 3.76Å; L566-V570 HydrophobicContact CD1-CG1 4.12Å; L566-L621 HydrophobicContact CD1-CD2 3.73Å; L566-V650 HydrophobicContact CD2-CG1 4.31Å; L566-V650 HydrophobicContact CG-CG1 4.34Å; L566-F654 HydrophobicContact CD1-CB 3.93Å; L566-F654 HydrophobicContact CD1-CD2 3.65Å; L566-F654 HydrophobicContact CD1-CE2 4.32Å; L566-F654 HydrophobicContact CD1-CG 3.82Å; L566-F654 HydrophobicContact CD2-CB 3.57Å; L566-F654 HydrophobicContact CD2-CD1 3.92Å; L566-F654 HydrophobicContact CD2-CD2 4.38Å; L566-F654 HydrophobicContact CD2-CG 3.7Å; L566-F654 HydrophobicContact CG-CB 4.42Å; L566-F654 HydrophobicContact CG-CG 4.39Å
567	G	90.2	Very high	92	Very high	41 Å²	41	52.7 Å²	52.7	42%	0.423	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	54.8	-117.1	171.5	0	0	0	0	0	113.1	Q563 N569	Q563-G567 PolarHBondContact O-N 3.05Å; G567-N569 VanDerWaalsContact C-N 3.26Å; G567-N569 PolarHBondContact O-N 3.02Å
568	K	88.1	Confident	91.9	Very high	216 Å²	216	49 Å²	49	94%	0.939	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-75.5	-8.6	-178.3	-66.5	-176.2	179.3	179.5	0	114.3	L566 V570	L566-K568 PolarHBondContact O-N 3.07Å; L566-K568 VanDerWaalsContact O-N 3.17Å; K568-V570 VanDerWaalsContact C-N 3.27Å; K568-V570 PolarHBondContact O-N 2.8Å
569	N	86.7	Confident	91.8	Very high	81 Å²	81	49.2 Å²	49.2	43%	0.433	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-75.1	-18.5	-177.4	-61.6	-23	0	0	0	112.8	L566 G567 F654	L566-N569 VanDerWaalsContact O-CB 3.26Å; L566-N569 WeakPolarHBondContact O-CB 3.29Å; L566-N569 PolarHBondContact O-N 3.03Å; L566-N569 PolarHBondContact O-ND2 3.25Å; G567-N569 VanDerWaalsContact C-N 3.26Å; G567-N569 PolarHBondContact O-N 3.02Å; N569-F654 HydrophobicContact CB-CE1 3.73Å; N569-F654 HydrophobicContact CB-CZ 3.92Å; N569-F654 WeakPolarHBondContact O-CZ 3.42Å
570	V	91.2	Very high	91.6	Very high	8 Å²	8	50.1 Å²	50.1	5%	0.048	25%	0.251	C	S	.	.			trans	-139.2	136.9	-177	75	0	0	0	0	110.1	Q563 L566 K568 K572 V573 K619 L621 F654	Q563-V570 HydrophobicContact CG-CG1 4.42Å; L566-V570 HydrophobicContact CB-CG1 3.76Å; L566-V570 HydrophobicContact CD1-CG1 4.12Å; K568-V570 VanDerWaalsContact C-N 3.27Å; K568-V570 PolarHBondContact O-N 2.8Å; V570-K572 VanDerWaalsContact CG2-O 3.27Å; V570-K572 WeakPolarHBondContact CG2-O 3.35Å; V570-V573 HydrophobicContact CG1-CG2 3.87Å; V570-V573 HydrophobicContact CG2-CG2 4.42Å; V570-K619 CarbonylContact C-O 3.49Å; V570-K619 WeakPolarHBondContact CA-O 3.46Å; V570-K619 VanDerWaalsContact CG2-O 3.27Å; V570-K619 WeakPolarHBondContact CG2-O 3.43Å; V570-L621 HydrophobicContact CG2-CB 3.89Å; V570-F654 HydrophobicContact CB-CE2 4.26Å; V570-F654 HydrophobicContact CG2-CE2 4.42Å
571	E	90.9	Very high	91.5	Very high	85 Å²	85	51.1 Å²	51.1	40%	0.397	26%	0.261	S	S	.	.	S	Bend	trans	-75.9	-37.2	174.9	172.6	166.6	-124.1	0	0	111.9	Q563 K618 K619	Q563-E571 PolarHBondContact NE2-O 2.91Å; E571-K618 HydrophobicContact CB-CB 4.11Å; E571-K618 HydrophobicContact CB-CD 4.29Å; E571-K618 HydrophobicContact CG-CD 4.25Å; E571-K618 WeakPolarHBondContact OE1-CD 3.5Å; E571-K618 WeakPolarHBondContact OE1-CE 3.46Å; E571-K618 IonicContact OE1-NZ 2.75Å; E571-K618 PolarHBondContact OE1-NZ 3.41Å; E571-K618 WeakPolarHBondContact OE2-CB 3.47Å; E571-K618 WeakPolarHBondContact OE2-CD 3.34Å; E571-K619 PolarHBondContact N-O 3.16Å
572	K	93.4	Very high	91.6	Very high	90 Å²	90	50 Å²	50	39%	0.391	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	139.5	-171.5	171	175.6	149.8	-126.7	0	110.4	V570 Q620 L621	V570-K572 VanDerWaalsContact CG2-O 3.27Å; V570-K572 WeakPolarHBondContact CG2-O 3.35Å; K572-Q620 HydrophobicContact CB-CB 4.43Å; K572-Q620 HydrophobicContact CB-CG 4.08Å; K572-Q620 CarbonylContact O-C 3.55Å; K572-Q620 VanDerWaalsContact O-CA 3.3Å; K572-Q620 WeakPolarHBondContact O-CA 3.41Å; K572-L621 PolarHBondContact O-N 2.98Å
573	V	95.6	Very high	91.6	Very high	10 Å²	10	51.2 Å²	51.2	6%	0.061	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.9	168.7	-175.2	0	0	0	0	107.8	C559 I562 Q563 V570 L621 L623	C559-V573 HydrophobicContact CB-CB 4.25Å; C559-V573 HydrophobicContact CB-CG1 4.08Å; I562-V573 HydrophobicContact CB-CG1 4.34Å; I562-V573 HydrophobicContact CG2-CG1 4.08Å; I562-V573 HydrophobicContact CG2-CG2 4.05Å; Q563-V573 HydrophobicContact CB-CB 4.27Å; Q563-V573 HydrophobicContact CB-CG2 3.69Å; Q563-V573 HydrophobicContact CG-CG2 4.2Å; V570-V573 HydrophobicContact CG1-CG2 3.87Å; V570-V573 HydrophobicContact CG2-CG2 4.42Å; V573-L621 WeakPolarHBondContact CA-O 2.99Å; V573-L621 HydrophobicContact CG1-CB 4.47Å; V573-L621 HydrophobicContact CG1-CD2 4.36Å; V573-L621 HydrophobicContact CG2-CB 4.31Å; V573-L623 HydrophobicContact CG1-CD1 3.79Å; V573-L623 HydrophobicContact CG1-CD2 4.49Å; V573-L623 HydrophobicContact CG1-CG 4.04Å
574	S	94.4	Very high	91.7	Very high	27 Å²	27	48 Å²	48	19%	0.189	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	170.6	180	44.2	0	0	0	0	112	L621 E622 L623	S574-L621 PolarHBondContact N-O 3.14Å; S574-E622 CarbonylContact O-C 3.56Å; S574-E622 VanDerWaalsContact O-CA 3.3Å; S574-E622 WeakPolarHBondContact O-CA 3.41Å; S574-L623 PolarHBondContact O-N 3.35Å
575	I	94.2	Very high	91.8	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.062	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	139	174.5	-55.1	-53.9	0	0	0	109.9	F548 Y555 L623 P625	F548-I575 HydrophobicContact CE2-CG2 3.97Å; F548-I575 HydrophobicContact CZ-CG2 4.43Å; Y555-I575 VanDerWaalsContact CB-CD1 3.49Å; Y555-I575 HydrophobicContact CD1-CD1 4.32Å; Y555-I575 HydrophobicContact CD2-CD1 4.4Å; Y555-I575 HydrophobicContact CG-CD1 3.86Å; Y555-I575 HydrophobicContact CG-CG1 4.43Å; I575-L623 WeakPolarHBondContact CA-O 3.36Å; I575-L623 HydrophobicContact CD1-CB 4.15Å; I575-L623 HydrophobicContact CD1-CD1 4.49Å; I575-P625 HydrophobicContact CG2-CB 3.76Å; I575-P625 HydrophobicContact CG2-CG 3.49Å; I575-P625 VanDerWaalsContact CG2-CG 3.49Å
576	S	90.3	Very high	92	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.028	21%	0.212	C	C	.	.			trans	-87.9	139.8	178.9	-163.4	0	0	0	0	112.1	F548 R578 L579 E622 L623	F548-S576 WeakPolarHBondContact CE2-O 3.32Å; S576-R578 WeakPolarHBondContact OG-CG 3.32Å; S576-R578 PolarHBondContact OG-N 2.79Å; S576-L579 PolarHBondContact OG-N 3.28Å; S576-E622 WeakPolarHBondContact CB-OE2 3.46Å; S576-E622 PolarHBondContact OG-OE2 3.43Å; S576-L623 PolarHBondContact N-O 3.26Å
577	N	84.5	Confident	92.1	Very high	24 Å²	24	39.4 Å²	39.4	13%	0.128	21%	0.211	C	C	.	.	S	Bend	trans	-101.4	9.3	160.3	73.8	-24.3	0	0	0	112.9	K497 L538 E540 F548	K497-N577 WeakPolarHBondContact CD-O 3.39Å; K497-N577 VanDerWaalsContact CE-O 3.25Å; K497-N577 WeakPolarHBondContact CE-O 3.45Å; K497-N577 PolarHBondContact NZ-O 2.56Å; L538-N577 WeakPolarHBondContact CD1-O 3.32Å; E540-N577 PolarHBondContact OE2-ND2 3.17Å; E540-N577 VanDerWaalsContact OE2-ND2 3.16Å; F548-N577 HydrophobicContact CD2-CB 4.19Å; F548-N577 HydrophobicContact CE1-CB 4.29Å; F548-N577 HydrophobicContact CE2-CB 3.75Å; F548-N577 HydrophobicContact CZ-CB 3.8Å
578	R	89.6	Confident	92.1	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.011	19%	0.192	C	C	.	.	S	Bend	trans	-111.6	-18.8	-177.6	90.2	-171.4	71.9	-153.5	-4.5	115.6	K497 V531 K533 L536 S576 E622	K497-R578 WeakPolarHBondContact CB-O 3.39Å; K497-R578 PolarHBondContact N-O 3.23Å; V531-R578 PolarHBondContact O-NH1 3.24Å; K533-R578 PolarHBondContact O-NH1 3.48Å; K533-R578 PolarHBondContact O-NH2 2.91Å; L536-R578 HydrophobicContact CD2-CB 4Å; S576-R578 WeakPolarHBondContact OG-CG 3.32Å; S576-R578 PolarHBondContact OG-N 2.79Å; R578-E622 IonicContact CZ-OE1 2.67Å; R578-E622 IonicContact CZ-OE2 3.95Å; R578-E622 IonicContact NE-OE1 3.77Å; R578-E622 PolarHBondContact NE-OE1 2.92Å; R578-E622 IonicContact NE-OE2 3.73Å; R578-E622 PolarHBondContact NE-OE2 3.2Å; R578-E622 IonicContact NH2-OE1 3.9Å; R578-E622 PolarHBondContact NH2-OE1 3.31Å; R578-E622 IonicContact NH2-OE2 2.71Å
579	L	92.4	Very high	92	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.037	15%	0.154	C	C	.	.			trans	-85.4	153.6	-179.9	-59.1	178.4	0	0	0	112.6	P493 S576 C585 N624	P493-L579 HydrophobicContact CB-CD2 3.72Å; P493-L579 WeakPolarHBondContact O-CD2 3.34Å; S576-L579 PolarHBondContact OG-N 3.28Å; L579-C585 HydrophobicContact CD1-CB 4.47Å; L579-C585 HydrophobicContact CD2-CB 4.08Å; L579-N624 HydrophobicContact CB-CB 3.9Å; L579-N624 HydrophobicContact CD1-CB 3.98Å
580	T	90.7	Very high	91.8	Very high	32 Å²	32	30.7 Å²	30.7	20%	0.196	16%	0.163	C	C	.	.	S	Bend	trans	-132.1	-54.3	173.7	71.2	0	0	0	0	111.7	E496 K497 Q500 N624	E496-T580 HydrophobicContact CB-CG2 4.07Å; E496-T580 PolarHBondContact OE2-N 3.13Å; E496-T580 PolarHBondContact OE2-OG1 2.95Å; K497-T580 HydrophobicContact CB-CG2 3.61Å; K497-T580 HydrophobicContact CG-CG2 4.18Å; Q500-T580 VanDerWaalsContact OE1-CG2 3.27Å; T580-N624 VanDerWaalsContact C-ND2 3.29Å; T580-N624 PolarHBondContact O-ND2 3.42Å
581	N	91.5	Very high	91.3	Very high	125 Å²	125	38.1 Å²	38.1	67%	0.668	20%	0.195	S	C	*	.	S	Bend	trans	-102.7	-38.5	-175.3	-64.4	-38.5	0	0	0	111.4	E496 H627	E496-N581 PolarHBondContact OE2-N 3.39Å; N581-H627 PolarHBondContact O-CD2 3.44Å
582	S	94.7	Very high	90.9	Very high	31 Å²	31	35.8 Å²	35.8	22%	0.217	19%	0.194	C	C	.	.	S	Bend	trans	-71.5	141.8	-179.9	-68.2	0	0	0	0	111.6	E496 N624	E496-S582 VanDerWaalsContact OE1-CB 3.27Å; E496-S582 WeakPolarHBondContact OE1-CB 3.17Å; E496-S582 PolarHBondContact OE1-N 2.99Å; E496-S582 VanDerWaalsContact OE1-N 3.15Å; E496-S582 PolarHBondContact OE1-OG 3.01Å; E496-S582 PolarHBondContact OE2-N 2.68Å; E496-S582 VanDerWaalsContact OE2-N 3.08Å; S582-N624 WeakPolarHBondContact O-CB 3.32Å; S582-N624 PolarHBondContact O-ND2 3.43Å
583	P	95.3	Very high	90.7	Very high	27 Å²	27	32.6 Å²	32.6	18%	0.175	18%	0.179	C	C	.	.	S	Bend	trans	-71.4	-32.8	-177.9	27.8	-35.1	0	0	0	113	N624 M629 I630 L653	P583-N624 WeakPolarHBondContact O-CB 3.39Å; P583-N624 PolarHBondContact O-N 2.89Å; P583-M629 HydrophobicContact CB-CE 4.08Å; P583-M629 HydrophobicContact CG-CE 3.94Å; P583-I630 HydrophobicContact CB-CD1 4.34Å; P583-I630 HydrophobicContact CB-CG1 4.39Å; P583-I630 WeakPolarHBondContact O-CG1 3.26Å; P583-L653 HydrophobicContact CB-CD1 4.21Å; P583-L653 HydrophobicContact CG-CD1 3.89Å
584	C	95.8	Very high	90.4	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.027	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	162.4	-179.9	55.7	0	0	0	0	111	L621 E622 L623 L653	C584-L621 HydrophobicContact CB-CD1 3.89Å; C584-E622 CarbonylContact C-O 3.59Å; C584-E622 WeakPolarHBondContact CA-O 3.32Å; C584-E622 WeakPolarHBondContact CB-O 3.28Å; C584-L623 HydrophobicContact CB-CD2 3.79Å; C584-L653 VanDerWaalsContact SG-CD1 3.58Å; C584-L653 VanDerWaalsContact SG-CG 3.59Å
585	C	95.6	Very high	90.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.1	172.1	65	0	0	0	0	111.2	P493 F494 L579 E622	P493-C585 HydrophobicContact CB-CB 4.19Å; P493-C585 HydrophobicContact CG-CB 4.11Å; F494-C585 HydrophobicContact CD1-CB 4.24Å; F494-C585 HydrophobicContact CE1-CB 3.82Å; L579-C585 HydrophobicContact CD1-CB 4.47Å; L579-C585 HydrophobicContact CD2-CB 4.08Å; C585-E622 PolarHBondContact N-O 3.05Å; C585-E622 PolarHBondContact O-N 2.63Å
586	V	95	Very high	90.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.1	173.7	-176.6	0	0	0	0	109.7	F494 K619 Q620 L621 F654 A657 L658 S661 F663	F494-V586 WeakPolarHBondContact CZ-O 3.32Å; V586-K619 HydrophobicContact CG1-CB 3.69Å; V586-K619 HydrophobicContact CG1-CG 3.98Å; V586-Q620 CarbonylContact C-O 3.56Å; V586-Q620 VanDerWaalsContact CA-O 3.32Å; V586-Q620 WeakPolarHBondContact CA-O 3.34Å; V586-L621 HydrophobicContact CG2-CD1 4.03Å; V586-F654 HydrophobicContact CG2-CD2 4.14Å; V586-F654 HydrophobicContact CG2-CE2 3.91Å; V586-A657 HydrophobicContact CG2-CB 3.89Å; V586-L658 HydrophobicContact CB-CD2 4.25Å; V586-L658 HydrophobicContact CG1-CD2 4.01Å; V586-L658 HydrophobicContact CG2-CD2 3.98Å; V586-L658 HydrophobicContact CG2-CG 4.22Å; V586-S661 PolarHBondContact N-OG 3.24Å; V586-S661 VanDerWaalsContact O-CB 3.29Å; V586-S661 WeakPolarHBondContact O-CB 3.3Å; V586-S661 PolarHBondContact O-OG 3.36Å; V586-S661 VanDerWaalsContact O-OG 3.09Å; V586-F663 HydrophobicContact CB-CD2 4.32Å; V586-F663 HydrophobicContact CB-CE2 3.87Å; V586-F663 HydrophobicContact CG1-CD2 4.25Å; V586-F663 HydrophobicContact CG1-CE2 3.59Å; V586-F663 HydrophobicContact CG1-CZ 4.24Å
587	V	94.1	Very high	90.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	155.1	174.9	-63.1	0	0	0	0	111.4	F494 T532 D534 Q620 E622	F494-V587 HydrophobicContact CD1-CG1 4.25Å; F494-V587 HydrophobicContact CE1-CG1 3.74Å; T532-V587 WeakPolarHBondContact O-CA 3.03Å; T532-V587 WeakPolarHBondContact O-CB 3.19Å; D534-V587 HydrophobicContact CB-CG2 3.87Å; V587-Q620 HydrophobicContact CG2-CB 3.86Å; V587-Q620 PolarHBondContact N-O 3.14Å; V587-Q620 PolarHBondContact O-N 3.43Å; V587-E622 HydrophobicContact CG1-CG 4.22Å; V587-E622 HydrophobicContact CG2-CG 4.06Å
588	T	90.5	Very high	90.5	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	152.5	168.6	52.1	0	0	0	0	111.2	T532 K533 D534 W593 A617 F663	T532-T588 PolarHBondContact O-N 3.03Å; K533-T588 CarbonylContact C-O 3.59Å; K533-T588 VanDerWaalsContact CA-O 3.27Å; K533-T588 WeakPolarHBondContact CA-O 3.36Å; K533-T588 WeakPolarHBondContact CG-OG1 3.37Å; D534-T588 PolarHBondContact N-O 2.95Å; T588-W593 WeakPolarHBondContact CG2-O 3.46Å; T588-A617 HydrophobicContact CG2-CB 3.87Å; T588-F663 HydrophobicContact CG2-CE1 3.92Å; T588-F663 HydrophobicContact CG2-CZ 3.52Å
589	S	86.5	Confident	90.4	Very high	22 Å²	22	34.7 Å²	34.7	15%	0.154	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-57.7	148.8	169.3	46.5	0	0	0	0	112.8	D534 F591 K618	D534-S589 VanDerWaalsContact OD1-CA 3.29Å; D534-S589 WeakPolarHBondContact OD1-CA 3.44Å; S589-F591 WeakPolarHBondContact CB-O 3.28Å; S589-F591 PolarHBondContact O-N 3.49Å; S589-F591 VanDerWaalsContact O-N 3.16Å; S589-F591 PolarHBondContact OG-O 3.16Å; S589-K618 PolarHBondContact N-O 2.62Å
590	E	81.8	Confident	90.3	Very high	130 Å²	130	35.1 Å²	35.1	61%	0.607	19%	0.185	S	C	*	.	S	Bend	trans	-48.3	-42.6	174.4	-171.7	-177.5	-171.9	0	0	111.5	K533 D534	K533-E590 PolarHBondContact NZ-O 2.99Å; D534-E590 PolarHBondContact OD1-N 3.3Å
591	F	81.3	Confident	90.2	Very high	165 Å²	165	34.7 Å²	34.7	72%	0.724	18%	0.181	S	C	*	.	S	Bend	trans	-90.3	134.5	172.7	-53.3	-80.6	0	0	0	111.2	S589	S589-F591 WeakPolarHBondContact CB-O 3.28Å; S589-F591 PolarHBondContact O-N 3.49Å; S589-F591 VanDerWaalsContact O-N 3.16Å; S589-F591 PolarHBondContact OG-O 3.16Å
592	G	82.9	Confident	89.9	Confident	36 Å²	36	33.3 Å²	33.3	37%	0.371	17%	0.169	S	C	.	.	S	Bend	trans	107.1	179.8	-177.1	0	0	0	0	0	114	K533	K533-G592 PolarHBondContact NZ-O 3Å
593	W	87.5	Confident	89.6	Confident	22 Å²	22	35.9 Å²	35.9	8%	0.083	19%	0.193	C	C	.	.			trans	-69	144.8	180	-64	-25.6	0	0	0	112.7	T588 M597 E598 M601 M612 M615 A617	T588-W593 WeakPolarHBondContact CG2-O 3.46Å; W593-M597 HydrophobicContact CB-CB 3.93Å; W593-M597 HydrophobicContact CB-CG 3.78Å; W593-M597 HydrophobicContact CD2-CG 4.41Å; W593-M597 HydrophobicContact CG-CB 4.29Å; W593-M597 HydrophobicContact CG-CG 3.58Å; W593-E598 HydrophobicContact CB-CB 4.42Å; W593-E598 HydrophobicContact CE3-CB 4.41Å; W593-E598 HydrophobicContact CE3-CG 4.35Å; W593-M601 HydrophobicContact CD2-CG 4.34Å; W593-M601 HydrophobicContact CH2-CB 4.46Å; W593-M601 HydrophobicContact CZ2-CB 4.47Å; W593-M601 HydrophobicContact CZ2-CG 4.22Å; W593-M601 HydrophobicContact CZ2-SD 4.37Å; W593-M601 HydrophobicContact CZ3-CB 4.44Å; W593-M612 HydrophobicContact CH2-CB 4.34Å; W593-M612 HydrophobicContact CH2-CG 4.18Å; W593-M612 HydrophobicContact CZ3-CB 4.18Å; W593-M612 HydrophobicContact CZ3-CG 4.18Å; W593-M615 HydrophobicContact CD2-CB 3.81Å; W593-M615 HydrophobicContact CE3-CB 4.18Å; W593-M615 HydrophobicContact CG-CB 4.41Å; W593-M615 HydrophobicContact CH2-CB 3.72Å; W593-M615 HydrophobicContact CZ2-CB 3.36Å; W593-M615 HydrophobicContact CZ2-CG 4.03Å; W593-M615 HydrophobicContact CZ2-SD 3.62Å; W593-M615 HydrophobicContact CZ3-CB 4.14Å; W593-M615 PolarHBondContact N-O 3.04Å; W593-M615 VanDerWaalsContact N-O 3.11Å; W593-A617 WeakPolarHBondContact O-CB 3.38Å
594	S	91	Very high	89.1	Confident	4 Å²	4	38.7 Å²	38.7	3%	0.028	20%	0.203	C	C	.	.			trans	-67.4	168	160	64.3	0	0	0	0	110.3	E514 N596 M597 E598	E514-S594 VanDerWaalsContact CD-OG 3.27Å; E514-S594 PolarHBondContact OE1-OG 2.9Å; E514-S594 PolarHBondContact OE2-OG 3.06Å; S594-N596 VanDerWaalsContact C-N 3.27Å; S594-N596 PolarHBondContact O-N 2.79Å; S594-M597 PolarHBondContact O-N 3.07Å; S594-M597 WeakPolarHBondContact OG-CB 3.31Å; S594-M597 PolarHBondContact OG-N 3.17Å; S594-E598 WeakPolarHBondContact O-CB 3.35Å; S594-E598 PolarHBondContact O-N 3.29Å
595	A	91.5	Very high	88.3	Confident	9 Å²	9	43.4 Å²	43.4	7%	0.074	24%	0.243	C	C	.	.	H	α-helix	trans	-57.7	-41.6	172	0	0	0	0	0	112.1	E598 R599 S661 F663	A595-E598 PolarHBondContact O-N 2.91Å; A595-R599 WeakPolarHBondContact O-CB 3.19Å; A595-R599 PolarHBondContact O-N 2.96Å; A595-S661 VanDerWaalsContact CB-O 3.26Å; A595-S661 WeakPolarHBondContact CB-O 3.4Å; A595-F663 HydrophobicContact CB-CD1 3.57Å; A595-F663 HydrophobicContact CB-CD2 4.05Å; A595-F663 HydrophobicContact CB-CE1 3.5Å; A595-F663 VanDerWaalsContact CB-CE1 3.5Å; A595-F663 HydrophobicContact CB-CE2 3.98Å; A595-F663 HydrophobicContact CB-CG 3.88Å; A595-F663 HydrophobicContact CB-CZ 3.74Å
596	N	92.2	Very high	87.5	Confident	12 Å²	12	52.2 Å²	52.2	6%	0.064	29%	0.289	C	S	.	.	H	α-helix	trans	-68.9	-39.6	178.3	179.1	53.5	0	0	0	112.7	E514 S594 R599 I600	E514-N596 VanDerWaalsContact CG-ND2 3.33Å; E514-N596 WeakPolarHBondContact CG-ND2 3.09Å; E514-N596 WeakPolarHBondContact OE1-CB 3.28Å; E514-N596 PolarHBondContact OE1-ND2 3.33Å; E514-N596 VanDerWaalsContact OE1-ND2 3.1Å; S594-N596 VanDerWaalsContact C-N 3.27Å; S594-N596 PolarHBondContact O-N 2.79Å; N596-R599 WeakPolarHBondContact O-CB 3.35Å; N596-R599 PolarHBondContact O-N 3.18Å; N596-R599 PolarHBondContact OD1-NE 3.03Å; N596-R599 PolarHBondContact OD1-NH2 2.91Å; N596-I600 WeakPolarHBondContact O-CD1 3.31Å; N596-I600 VanDerWaalsContact O-CG1 3.25Å; N596-I600 WeakPolarHBondContact O-CG1 3.25Å; N596-I600 PolarHBondContact O-N 2.76Å
597	M	90.6	Very high	86.4	Confident	11 Å²	11	54.6 Å²	54.6	5%	0.054	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-45	171.1	-178.9	71.3	91.2	0	0	111	E514 T518 W593 S594 R599 I600 M601	E514-M597 HydrophobicContact CB-CE 3.7Å; E514-M597 HydrophobicContact CB-SD 4.13Å; E514-M597 HydrophobicContact CG-CB 4.48Å; T518-M597 HydrophobicContact CG2-CE 4.02Å; W593-M597 HydrophobicContact CB-CB 3.93Å; W593-M597 HydrophobicContact CB-CG 3.78Å; W593-M597 HydrophobicContact CD2-CG 4.41Å; W593-M597 HydrophobicContact CG-CB 4.29Å; W593-M597 HydrophobicContact CG-CG 3.58Å; S594-M597 PolarHBondContact O-N 3.07Å; S594-M597 WeakPolarHBondContact OG-CB 3.31Å; S594-M597 PolarHBondContact OG-N 3.17Å; M597-R599 PolarHBondContact O-N 3.44Å; M597-I600 PolarHBondContact O-N 2.9Å; M597-M601 HydrophobicContact CE-CE 4.49Å; M597-M601 HydrophobicContact CG-CE 4.49Å; M597-M601 HydrophobicContact CG-CG 4.03Å; M597-M601 WeakPolarHBondContact O-CB 3.34Å; M597-M601 WeakPolarHBondContact O-CG 3.46Å; M597-M601 PolarHBondContact O-N 2.87Å; M597-M601 HydrophobicContact SD-CE 3.49Å; M597-M601 WeakPolarHBondContact SD-CE 3.17Å; M597-M601 HydrophobicContact SD-CG 3.93Å
598	E	89.3	Confident	85.5	Confident	18 Å²	18	59.3 Å²	59.3	8%	0.084	32%	0.323	C	S	.	.	H	α-helix	trans	-55.4	-42	175.8	-170.2	-171.4	151.1	0	0	110.9	W593 S594 A595 K602 K619	W593-E598 HydrophobicContact CB-CB 4.42Å; W593-E598 HydrophobicContact CE3-CB 4.41Å; W593-E598 HydrophobicContact CE3-CG 4.35Å; S594-E598 WeakPolarHBondContact O-CB 3.35Å; S594-E598 PolarHBondContact O-N 3.29Å; A595-E598 PolarHBondContact O-N 2.91Å; E598-K602 HydrophobicContact CG-CD 4.48Å; E598-K602 WeakPolarHBondContact O-CB 3.49Å; E598-K602 VanDerWaalsContact O-CG 3.27Å; E598-K602 WeakPolarHBondContact O-CG 3.28Å; E598-K602 PolarHBondContact O-N 2.74Å; E598-K602 WeakPolarHBondContact OE1-CE 3.43Å; E598-K602 IonicContact OE1-NZ 3.36Å; E598-K602 PolarHBondContact OE1-NZ 3.03Å; E598-K619 IonicContact OE1-NZ 2.9Å; E598-K619 IonicContact OE2-NZ 2.61Å; E598-K619 PolarHBondContact OE2-NZ 3.38Å
599	R	89.5	Confident	84.7	Confident	71 Å²	71	63 Å²	63	27%	0.268	35%	0.349	S	S	.	.	H	α-helix	trans	-64.9	-52.6	175.6	-179.4	-165.5	69.9	95.4	6.7	113	E484 A595 N596 M597 M601 K602 A603	E484-R599 WeakPolarHBondContact OE1-CD 3.42Å; E484-R599 IonicContact OE1-CZ 2.65Å; E484-R599 IonicContact OE1-NE 2.64Å; E484-R599 PolarHBondContact OE1-NE 2.64Å; E484-R599 IonicContact OE1-NH1 2.65Å; E484-R599 PolarHBondContact OE1-NH1 2.93Å; A595-R599 WeakPolarHBondContact O-CB 3.19Å; A595-R599 PolarHBondContact O-N 2.96Å; N596-R599 WeakPolarHBondContact O-CB 3.35Å; N596-R599 PolarHBondContact O-N 3.18Å; N596-R599 PolarHBondContact OD1-NE 3.03Å; N596-R599 PolarHBondContact OD1-NH2 2.91Å; M597-R599 PolarHBondContact O-N 3.44Å; R599-M601 VanDerWaalsContact C-N 3.3Å; R599-M601 PolarHBondContact O-N 3.39Å; R599-K602 PolarHBondContact O-N 2.9Å; R599-A603 PolarHBondContact O-N 2.94Å
600	I	90.1	Very high	84.1	Confident	15 Å²	15	65.7 Å²	65.7	8%	0.077	37%	0.368	C	S	.	.	H	α-helix	trans	-58.4	-46.1	178.6	-67.6	158.8	0	0	0	110.2	P511 E514 Y515 N596 M597 K602 A603 Q604	P511-I600 HydrophobicContact CB-CD1 3.95Å; P511-I600 HydrophobicContact CB-CG1 4.16Å; P511-I600 HydrophobicContact CB-CG2 4.43Å; E514-I600 HydrophobicContact CB-CD1 4.45Å; E514-I600 HydrophobicContact CG-CD1 4.01Å; Y515-I600 HydrophobicContact CE2-CG2 4.11Å; N596-I600 WeakPolarHBondContact O-CD1 3.31Å; N596-I600 VanDerWaalsContact O-CG1 3.25Å; N596-I600 WeakPolarHBondContact O-CG1 3.25Å; N596-I600 PolarHBondContact O-N 2.76Å; M597-I600 PolarHBondContact O-N 2.9Å; I600-K602 VanDerWaalsContact C-N 3.32Å; I600-K602 PolarHBondContact O-N 3.19Å; I600-A603 PolarHBondContact O-N 2.87Å; I600-Q604 PolarHBondContact O-N 2.67Å
601	M	87.5	Confident	83.6	Confident	23 Å²	23	62.1 Å²	62.1	11%	0.113	36%	0.355	C	S	.	.	H	α-helix	trans	-63.3	-33.7	179	-74.7	-72.6	173.1	0	0	112.8	Y515 W593 M597 R599 A603 R607	Y515-M601 HydrophobicContact CE1-CE 3.79Å; Y515-M601 VanDerWaalsContact OH-CE 3.32Å; Y515-M601 WeakPolarHBondContact OH-CE 3.48Å; W593-M601 HydrophobicContact CD2-CG 4.34Å; W593-M601 HydrophobicContact CH2-CB 4.46Å; W593-M601 HydrophobicContact CZ2-CB 4.47Å; W593-M601 HydrophobicContact CZ2-CG 4.22Å; W593-M601 HydrophobicContact CZ2-SD 4.37Å; W593-M601 HydrophobicContact CZ3-CB 4.44Å; M597-M601 HydrophobicContact CE-CE 4.49Å; M597-M601 HydrophobicContact CG-CE 4.49Å; M597-M601 HydrophobicContact CG-CG 4.03Å; M597-M601 WeakPolarHBondContact O-CB 3.34Å; M597-M601 WeakPolarHBondContact O-CG 3.46Å; M597-M601 PolarHBondContact O-N 2.87Å; M597-M601 HydrophobicContact SD-CE 3.49Å; M597-M601 WeakPolarHBondContact SD-CE 3.17Å; M597-M601 HydrophobicContact SD-CG 3.93Å; R599-M601 VanDerWaalsContact C-N 3.3Å; R599-M601 PolarHBondContact O-N 3.39Å; M601-A603 VanDerWaalsContact C-N 3.34Å; M601-R607 VanDerWaalsContact C-NH2 3.25Å; M601-R607 PolarHBondContact O-NE 3Å; M601-R607 PolarHBondContact O-NH2 3.03Å
602	K	85.7	Confident	83.1	Confident	96 Å²	96	56 Å²	56	42%	0.417	33%	0.329	S	S	.	.	H	α-helix	trans	-71.9	-24.3	172.5	-78.5	173.5	-174.6	175.6	0	113.6	E598 R599 I600 M612	E598-K602 HydrophobicContact CG-CD 4.48Å; E598-K602 WeakPolarHBondContact O-CB 3.49Å; E598-K602 VanDerWaalsContact O-CG 3.27Å; E598-K602 WeakPolarHBondContact O-CG 3.28Å; E598-K602 PolarHBondContact O-N 2.74Å; E598-K602 WeakPolarHBondContact OE1-CE 3.43Å; E598-K602 IonicContact OE1-NZ 3.36Å; E598-K602 PolarHBondContact OE1-NZ 3.03Å; R599-K602 PolarHBondContact O-N 2.9Å; I600-K602 VanDerWaalsContact C-N 3.32Å; I600-K602 PolarHBondContact O-N 3.19Å; K602-M612 HydrophobicContact CG-CE 4.06Å; K602-M612 HydrophobicContact CG-SD 3.74Å
603	A	87.4	Confident	82.5	Confident	85 Å²	85	57.6 Å²	57.6	70%	0.702	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-7.3	178.9	0	0	0	0	0	114.1	R599 I600 M601 A605	R599-A603 PolarHBondContact O-N 2.94Å; I600-A603 PolarHBondContact O-N 2.87Å; M601-A603 VanDerWaalsContact C-N 3.34Å; A603-A605 PolarHBondContact O-N 2.71Å
604	Q	84.9	Confident	81.6	Confident	86 Å²	86	66.9 Å²	66.9	40%	0.402	38%	0.381	S	S	.	.			trans	-83.5	105.3	-179.9	-73.6	-172.5	-33.7	0	0	112.3	Y515 I600 L606 R607	Y515-Q604 PolarHBondContact OH-NE2 3.37Å; Y515-Q604 PolarHBondContact OH-OE1 3.5Å; I600-Q604 PolarHBondContact O-N 2.67Å; Q604-L606 VanDerWaalsContact C-N 3.34Å; Q604-L606 PolarHBondContact O-N 2.75Å; Q604-R607 HydrophobicContact CB-CB 4.28Å; Q604-R607 WeakPolarHBondContact O-CB 3.4Å; Q604-R607 PolarHBondContact O-N 2.88Å
605	A	79	Confident	80.9	Confident	104 Å²	104	71.5 Å²	71.5	86%	0.86	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.3	-174.6	0	0	0	0	0	115.9	A603 R607	A603-A605 PolarHBondContact O-N 2.71Å; A605-R607 VanDerWaalsContact C-N 3.29Å; A605-R607 PolarHBondContact O-N 2.86Å
606	L	78.7	Confident	80	Confident	184 Å²	184	73 Å²	73	96%	0.963	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	15.2	-176.4	-64	177.6	0	0	0	114.1	Q604	Q604-L606 VanDerWaalsContact C-N 3.34Å; Q604-L606 PolarHBondContact O-N 2.75Å
607	R	72.5	Confident	78.9	Confident	52 Å²	52	72.7 Å²	72.7	20%	0.196	42%	0.416	C	S	.	.	S	Bend	trans	-113.4	127.8	-166.6	-160.9	178.6	70.4	110.6	7.3	112.7	M601 Q604 A605 S609 M612	M601-R607 VanDerWaalsContact C-NH2 3.25Å; M601-R607 PolarHBondContact O-NE 3Å; M601-R607 PolarHBondContact O-NH2 3.03Å; Q604-R607 HydrophobicContact CB-CB 4.28Å; Q604-R607 WeakPolarHBondContact O-CB 3.4Å; Q604-R607 PolarHBondContact O-N 2.88Å; A605-R607 VanDerWaalsContact C-N 3.29Å; A605-R607 PolarHBondContact O-N 2.86Å; R607-S609 PolarHBondContact O-N 3.07Å; R607-M612 PolarHBondContact NH2-SD 2.84Å; R607-M612 VanDerWaalsContact NH2-SD 3.4Å
608	D	74.6	Confident	78.5	Confident	98 Å²	98	78 Å²	78	52%	0.524	44%	0.438	S	S	.	.			trans	-62.3	120.8	174.8	177.4	16.4	0	0	0	111.6	S610 T611	D608-S610 VanDerWaalsContact C-N 3.28Å; D608-S610 VanDerWaalsContact CG-OG 3.28Å; D608-S610 PolarHBondContact O-N 2.82Å; D608-S610 WeakPolarHBondContact OD1-CB 3.34Å; D608-S610 PolarHBondContact OD1-N 3.18Å; D608-S610 PolarHBondContact OD1-OG 2.82Å; D608-S610 WeakPolarHBondContact OD2-CB 3.44Å; D608-S610 PolarHBondContact OD2-OG 3.47Å; D608-T611 PolarHBondContact O-OG1 2.85Å
609	S	73.5	Confident	78.6	Confident	79 Å²	79	79.2 Å²	79.2	55%	0.552	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-69.9	-20.1	178.9	-68.6	0	0	0	0	113.5	R607 T611 M612	R607-S609 PolarHBondContact O-N 3.07Å; S609-T611 PolarHBondContact O-N 2.99Å; S609-M612 WeakPolarHBondContact O-CB 3.13Å; S609-M612 WeakPolarHBondContact O-CG 3.32Å; S609-M612 PolarHBondContact O-N 3.37Å; S609-M612 VanDerWaalsContact O-N 3.1Å; S609-M612 WeakPolarHBondContact OG-CE 3.48Å
610	S	75	Confident	78.7	Confident	79 Å²	79	76.2 Å²	76.2	55%	0.552	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-56.9	-35.8	176.9	87.4	0	0	0	0	111.9	D608 M612	D608-S610 VanDerWaalsContact C-N 3.28Å; D608-S610 VanDerWaalsContact CG-OG 3.28Å; D608-S610 PolarHBondContact O-N 2.82Å; D608-S610 WeakPolarHBondContact OD1-CB 3.34Å; D608-S610 PolarHBondContact OD1-N 3.18Å; D608-S610 PolarHBondContact OD1-OG 2.82Å; D608-S610 WeakPolarHBondContact OD2-CB 3.44Å; D608-S610 PolarHBondContact OD2-OG 3.47Å; S610-M612 PolarHBondContact O-N 2.87Å
611	T	71.1	Confident	79	Confident	55 Å²	55	75.7 Å²	75.7	34%	0.337	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-67.2	-19.5	-178.6	66.7	0	0	0	0	113.6	D608 S609 G613 Y614	D608-T611 PolarHBondContact O-OG1 2.85Å; S609-T611 PolarHBondContact O-N 2.99Å; T611-G613 VanDerWaalsContact C-N 3.34Å; T611-G613 PolarHBondContact O-N 3.4Å; T611-Y614 PolarHBondContact O-N 3.27Å
612	M	70.8	Confident	79.4	Confident	38 Å²	38	75.2 Å²	75.2	19%	0.187	43%	0.427	C	S	.	.	H	α-helix	trans	-62.6	-38.1	-176.3	-62	-150.3	-142.7	0	0	113.1	W593 K602 R607 S609 S610 Y614 M615 A616	W593-M612 HydrophobicContact CH2-CB 4.34Å; W593-M612 HydrophobicContact CH2-CG 4.18Å; W593-M612 HydrophobicContact CZ3-CB 4.18Å; W593-M612 HydrophobicContact CZ3-CG 4.18Å; K602-M612 HydrophobicContact CG-CE 4.06Å; K602-M612 HydrophobicContact CG-SD 3.74Å; R607-M612 PolarHBondContact NH2-SD 2.84Å; R607-M612 VanDerWaalsContact NH2-SD 3.4Å; S609-M612 WeakPolarHBondContact O-CB 3.13Å; S609-M612 WeakPolarHBondContact O-CG 3.32Å; S609-M612 PolarHBondContact O-N 3.37Å; S609-M612 VanDerWaalsContact O-N 3.1Å; S609-M612 WeakPolarHBondContact OG-CE 3.48Å; S610-M612 PolarHBondContact O-N 2.87Å; M612-Y614 PolarHBondContact O-N 3.25Å; M612-Y614 VanDerWaalsContact O-N 3.12Å; M612-M615 PolarHBondContact O-N 3.14Å; M612-A616 VanDerWaalsContact O-CB 3.24Å; M612-A616 WeakPolarHBondContact O-CB 3.24Å; M612-A616 PolarHBondContact O-N 3.13Å
613	G	69.4	Low	79.9	Confident	68 Å²	68	70.6 Å²	70.6	70%	0.701	41%	0.407	S	S	*	.	H	α-helix	trans	-61.3	-24.5	-174.6	0	0	0	0	0	114.5	T611	T611-G613 VanDerWaalsContact C-N 3.34Å; T611-G613 PolarHBondContact O-N 3.4Å
614	Y	68.5	Low	80.3	Confident	217 Å²	217	66.6 Å²	66.6	85%	0.851	37%	0.374	S	S	*	.	H	α-helix	trans	-93.7	-19.9	-178.9	-62.8	-78.6	0	0	0	114.1	T611 M612	T611-Y614 PolarHBondContact O-N 3.27Å; M612-Y614 PolarHBondContact O-N 3.25Å; M612-Y614 VanDerWaalsContact O-N 3.12Å
615	M	77.2	Confident	80.7	Confident	101 Å²	101	62.5 Å²	62.5	50%	0.498	36%	0.355	S	S	.	.	H	α-helix	trans	-114.8	-15.3	-176.4	-66	-165	-175.7	0	0	114.6	W593 M612 A617	W593-M615 HydrophobicContact CD2-CB 3.81Å; W593-M615 HydrophobicContact CE3-CB 4.18Å; W593-M615 HydrophobicContact CG-CB 4.41Å; W593-M615 HydrophobicContact CH2-CB 3.72Å; W593-M615 HydrophobicContact CZ2-CB 3.36Å; W593-M615 HydrophobicContact CZ2-CG 4.03Å; W593-M615 HydrophobicContact CZ2-SD 3.62Å; W593-M615 HydrophobicContact CZ3-CB 4.14Å; W593-M615 PolarHBondContact N-O 3.04Å; W593-M615 VanDerWaalsContact N-O 3.11Å; M612-M615 PolarHBondContact O-N 3.14Å; M615-A617 PolarHBondContact O-N 3.2Å
616	A	72.5	Confident	81.3	Confident	40 Å²	40	63.8 Å²	63.8	33%	0.331	34%	0.338	S	S	.	.	S	Bend	trans	-60	107.3	170.1	0	0	0	0	0	109.2	M612	M612-A616 VanDerWaalsContact O-CB 3.24Å; M612-A616 WeakPolarHBondContact O-CB 3.24Å; M612-A616 PolarHBondContact O-N 3.13Å
617	A	70.2	Confident	82.1	Confident	7 Å²	7	56.8 Å²	56.8	6%	0.058	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-62	140.9	-176.7	0	0	0	0	0	110.8	T588 W593 M615	T588-A617 HydrophobicContact CG2-CB 3.87Å; W593-A617 WeakPolarHBondContact O-CB 3.38Å; M615-A617 PolarHBondContact O-N 3.2Å
618	K	81	Confident	83.2	Confident	122 Å²	122	58.8 Å²	58.8	53%	0.53	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-67	137.2	173.8	-65.8	-178.2	-179.1	173	0	109	E571 S589	E571-K618 HydrophobicContact CB-CB 4.11Å; E571-K618 HydrophobicContact CB-CD 4.29Å; E571-K618 HydrophobicContact CG-CD 4.25Å; E571-K618 WeakPolarHBondContact OE1-CD 3.5Å; E571-K618 WeakPolarHBondContact OE1-CE 3.46Å; E571-K618 IonicContact OE1-NZ 2.75Å; E571-K618 PolarHBondContact OE1-NZ 3.41Å; E571-K618 WeakPolarHBondContact OE2-CB 3.47Å; E571-K618 WeakPolarHBondContact OE2-CD 3.34Å; S589-K618 PolarHBondContact N-O 2.62Å
619	K	90.7	Very high	84	Confident	43 Å²	43	58.9 Å²	58.9	19%	0.187	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.4	-174.5	-72.1	163	171.8	62.6	0	108.7	V570 E571 V586 E598 L658 F663	V570-K619 CarbonylContact C-O 3.49Å; V570-K619 WeakPolarHBondContact CA-O 3.46Å; V570-K619 VanDerWaalsContact CG2-O 3.27Å; V570-K619 WeakPolarHBondContact CG2-O 3.43Å; E571-K619 PolarHBondContact N-O 3.16Å; V586-K619 HydrophobicContact CG1-CB 3.69Å; V586-K619 HydrophobicContact CG1-CG 3.98Å; E598-K619 IonicContact OE1-NZ 2.9Å; E598-K619 IonicContact OE2-NZ 2.61Å; E598-K619 PolarHBondContact OE2-NZ 3.38Å; K619-L658 HydrophobicContact CD-CD2 4.01Å; K619-F663 HydrophobicContact CD-CE1 4.31Å; K619-F663 HydrophobicContact CD-CZ 4.42Å; K619-F663 HydrophobicContact CG-CE1 4.17Å; K619-F663 HydrophobicContact CG-CE2 4.47Å; K619-F663 HydrophobicContact CG-CZ 3.94Å
620	Q	93.6	Very high	85.1	Confident	9 Å²	9	55.1 Å²	55.1	4%	0.042	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.9	172.1	-52.7	-179.1	32.6	0	0	109.1	D534 K572 V586 V587	D534-Q620 PolarHBondContact OD2-NE2 3.05Å; K572-Q620 HydrophobicContact CB-CB 4.43Å; K572-Q620 HydrophobicContact CB-CG 4.08Å; K572-Q620 CarbonylContact O-C 3.55Å; K572-Q620 VanDerWaalsContact O-CA 3.3Å; K572-Q620 WeakPolarHBondContact O-CA 3.41Å; V586-Q620 CarbonylContact C-O 3.56Å; V586-Q620 VanDerWaalsContact CA-O 3.32Å; V586-Q620 WeakPolarHBondContact CA-O 3.34Å; V587-Q620 HydrophobicContact CG2-CB 3.86Å; V587-Q620 PolarHBondContact N-O 3.14Å; V587-Q620 PolarHBondContact O-N 3.43Å
621	L	95.7	Very high	85.9	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	118.4	178.9	-179.8	66.4	0	0	0	109.6	I562 L566 V570 K572 V573 S574 C584 V586 L623 F654 A657	I562-L621 HydrophobicContact CG2-CD2 3.92Å; L566-L621 HydrophobicContact CD1-CD2 3.73Å; V570-L621 HydrophobicContact CG2-CB 3.89Å; K572-L621 PolarHBondContact O-N 2.98Å; V573-L621 WeakPolarHBondContact CA-O 2.99Å; V573-L621 HydrophobicContact CG1-CB 4.47Å; V573-L621 HydrophobicContact CG1-CD2 4.36Å; V573-L621 HydrophobicContact CG2-CB 4.31Å; S574-L621 PolarHBondContact N-O 3.14Å; C584-L621 HydrophobicContact CB-CD1 3.89Å; V586-L621 HydrophobicContact CG2-CD1 4.03Å; L621-L623 HydrophobicContact CD1-CD2 4.49Å; L621-L623 HydrophobicContact CD2-CD2 3.78Å; L621-L623 HydrophobicContact CG-CD2 3.83Å; L621-F654 HydrophobicContact CD1-CD2 4.25Å; L621-F654 HydrophobicContact CD2-CD2 4.22Å; L621-A657 HydrophobicContact CD1-CB 4.18Å
622	E	95.2	Very high	86.9	Confident	13 Å²	13	54.8 Å²	54.8	6%	0.061	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.8	170	-52.6	-169.4	175	0	0	110.6	S574 S576 R578 C584 C585 V587	S574-E622 CarbonylContact O-C 3.56Å; S574-E622 VanDerWaalsContact O-CA 3.3Å; S574-E622 WeakPolarHBondContact O-CA 3.41Å; S576-E622 WeakPolarHBondContact CB-OE2 3.46Å; S576-E622 PolarHBondContact OG-OE2 3.43Å; R578-E622 IonicContact CZ-OE1 2.67Å; R578-E622 IonicContact CZ-OE2 3.95Å; R578-E622 IonicContact NE-OE1 3.77Å; R578-E622 PolarHBondContact NE-OE1 2.92Å; R578-E622 IonicContact NE-OE2 3.73Å; R578-E622 PolarHBondContact NE-OE2 3.2Å; R578-E622 IonicContact NH2-OE1 3.9Å; R578-E622 PolarHBondContact NH2-OE1 3.31Å; R578-E622 IonicContact NH2-OE2 2.71Å; C584-E622 CarbonylContact C-O 3.59Å; C584-E622 WeakPolarHBondContact CA-O 3.32Å; C584-E622 WeakPolarHBondContact CB-O 3.28Å; C585-E622 PolarHBondContact N-O 3.05Å; C585-E622 PolarHBondContact O-N 2.63Å; V587-E622 HydrophobicContact CG1-CG 4.22Å; V587-E622 HydrophobicContact CG2-CG 4.06Å
623	L	96.3	Very high	87.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	138.8	-179.9	-50.7	175.6	0	0	0	111.1	L558 I562 V573 S574 I575 S576 C584 L621 P625 I630	L558-L623 HydrophobicContact CD2-CD1 4.44Å; I562-L623 HydrophobicContact CD1-CD1 3.81Å; I562-L623 HydrophobicContact CD1-CD2 4.5Å; V573-L623 HydrophobicContact CG1-CD1 3.79Å; V573-L623 HydrophobicContact CG1-CD2 4.49Å; V573-L623 HydrophobicContact CG1-CG 4.04Å; S574-L623 PolarHBondContact O-N 3.35Å; I575-L623 WeakPolarHBondContact CA-O 3.36Å; I575-L623 HydrophobicContact CD1-CB 4.15Å; I575-L623 HydrophobicContact CD1-CD1 4.49Å; S576-L623 PolarHBondContact N-O 3.26Å; C584-L623 HydrophobicContact CB-CD2 3.79Å; L621-L623 HydrophobicContact CD1-CD2 4.49Å; L621-L623 HydrophobicContact CD2-CD2 3.78Å; L621-L623 HydrophobicContact CG-CD2 3.83Å; L623-P625 WeakPolarHBondContact O-CD 3.27Å; L623-I630 HydrophobicContact CB-CD1 4.49Å; L623-I630 HydrophobicContact CB-CG2 4.24Å; L623-I630 HydrophobicContact CD2-CD1 4.29Å
624	N	95.2	Very high	89	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.254	C	S	.	.			trans	-84	110.5	175	179.5	-12.3	0	0	0	110.4	L579 T580 S582 P583 Y626 H627 I630	L579-N624 HydrophobicContact CB-CB 3.9Å; L579-N624 HydrophobicContact CD1-CB 3.98Å; T580-N624 VanDerWaalsContact C-ND2 3.29Å; T580-N624 PolarHBondContact O-ND2 3.42Å; S582-N624 WeakPolarHBondContact O-CB 3.32Å; S582-N624 PolarHBondContact O-ND2 3.43Å; P583-N624 WeakPolarHBondContact O-CB 3.39Å; P583-N624 PolarHBondContact O-N 2.89Å; N624-Y626 PolarHBondContact O-N 3.41Å; N624-Y626 WeakPolarHBondContact OD1-CB 3.25Å; N624-Y626 PolarHBondContact OD1-N 2.82Å; N624-H627 HydrophobicContact CB-CB 4Å; N624-H627 PolarHBondContact O-N 3.16Å; N624-H627 PolarHBondContact OD1-N 3.29Å; N624-I630 VanDerWaalsContact O-CB 3.26Å; N624-I630 WeakPolarHBondContact O-CB 3.31Å; N624-I630 VanDerWaalsContact O-CG1 3.29Å; N624-I630 WeakPolarHBondContact O-CG1 3.38Å
625	P	93.7	Very high	90.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.7	-174.2	33.9	-35.5	0	0	0	112.6	Y555 I575 L623 K631	Y555-P625 HydrophobicContact CD2-CB 4.07Å; Y555-P625 HydrophobicContact CE2-CB 3.59Å; Y555-P625 PolarHBondContact OH-O 2.78Å; I575-P625 HydrophobicContact CG2-CB 3.76Å; I575-P625 HydrophobicContact CG2-CG 3.49Å; I575-P625 VanDerWaalsContact CG2-CG 3.49Å; L623-P625 WeakPolarHBondContact O-CD 3.27Å; P625-K631 VanDerWaalsContact O-CE 3.29Å; P625-K631 WeakPolarHBondContact O-CE 3.41Å
626	Y	92.4	Very high	90.6	Very high	130 Å²	130	47.1 Å²	47.1	51%	0.51	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-24.1	179.4	-56.3	-73.3	0	0	0	112.1	L551 N624 K631	L551-Y626 HydrophobicContact CD1-CE1 4.16Å; L551-Y626 WeakPolarHBondContact CD1-OH 3.46Å; N624-Y626 PolarHBondContact O-N 3.41Å; N624-Y626 WeakPolarHBondContact OD1-CB 3.25Å; N624-Y626 PolarHBondContact OD1-N 2.82Å; Y626-K631 WeakPolarHBondContact O-CE 3.33Å; Y626-K631 PolarHBondContact O-NZ 3.01Å
627	H	95.3	Very high	91.3	Very high	37 Å²	37	46.2 Å²	46.2	17%	0.171	22%	0.224	C	C	.	.	S	Bend	trans	-70	133.7	-172.5	-168.4	-87.7	0	0	0	112.7	N581 N624 M629 I630 K631	N581-H627 PolarHBondContact O-CD2 3.44Å; N624-H627 HydrophobicContact CB-CB 4Å; N624-H627 PolarHBondContact O-N 3.16Å; N624-H627 PolarHBondContact OD1-N 3.29Å; H627-M629 VanDerWaalsContact C-N 3.33Å; H627-M629 WeakPolarHBondContact CE1-CE 3.39Å; H627-M629 PolarHBondContact ND1-N 3.23Å; H627-M629 VanDerWaalsContact ND1-N 3.2Å; H627-M629 PolarHBondContact O-N 2.96Å; H627-I630 HydrophobicContact CB-CG1 4.27Å; H627-I630 PolarHBondContact O-N 3.12Å; H627-K631 PolarHBondContact O-N 2.94Å
628	P	94.8	Very high	92	Very high	94 Å²	94	51.2 Å²	51.2	61%	0.61	25%	0.247	S	C	*	.	H	α-helix	trans	-53.5	-41.5	-177.1	-29.8	36.3	0	0	0	115	I630 K631 A632	P628-I630 VanDerWaalsContact C-N 3.31Å; P628-I630 PolarHBondContact O-N 3.1Å; P628-K631 PolarHBondContact O-N 2.92Å; P628-A632 WeakPolarHBondContact O-CB 3.4Å; P628-A632 PolarHBondContact O-N 2.67Å
629	M	92.7	Very high	92.2	Very high	100 Å²	100	49 Å²	49	49%	0.493	25%	0.246	S	C	.	.	H	α-helix	trans	-60.1	-37.3	177.2	-69.8	-169.5	-89.9	0	0	113.1	P583 H627 L633	P583-M629 HydrophobicContact CB-CE 4.08Å; P583-M629 HydrophobicContact CG-CE 3.94Å; H627-M629 VanDerWaalsContact C-N 3.33Å; H627-M629 WeakPolarHBondContact CE1-CE 3.39Å; H627-M629 PolarHBondContact ND1-N 3.23Å; H627-M629 VanDerWaalsContact ND1-N 3.2Å; H627-M629 PolarHBondContact O-N 2.96Å; M629-L633 WeakPolarHBondContact O-CB 3.46Å; M629-L633 VanDerWaalsContact O-CG 3.29Å; M629-L633 WeakPolarHBondContact O-CG 3.45Å; M629-L633 PolarHBondContact O-N 3.47Å
630	I	95	Very high	91.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-75.8	-33.6	-178.3	-56.6	-55.3	0	0	0	111.1	Y555 L558 P583 L623 N624 H627 P628 L633 K634 L653	Y555-I630 HydrophobicContact CD1-CG2 4.43Å; Y555-I630 HydrophobicContact CE1-CG2 3.97Å; L558-I630 HydrophobicContact CD2-CG2 4.07Å; P583-I630 HydrophobicContact CB-CD1 4.34Å; P583-I630 HydrophobicContact CB-CG1 4.39Å; P583-I630 WeakPolarHBondContact O-CG1 3.26Å; L623-I630 HydrophobicContact CB-CD1 4.49Å; L623-I630 HydrophobicContact CB-CG2 4.24Å; L623-I630 HydrophobicContact CD2-CD1 4.29Å; N624-I630 VanDerWaalsContact O-CB 3.26Å; N624-I630 WeakPolarHBondContact O-CB 3.31Å; N624-I630 VanDerWaalsContact O-CG1 3.29Å; N624-I630 WeakPolarHBondContact O-CG1 3.38Å; H627-I630 HydrophobicContact CB-CG1 4.27Å; H627-I630 PolarHBondContact O-N 3.12Å; P628-I630 VanDerWaalsContact C-N 3.31Å; P628-I630 PolarHBondContact O-N 3.1Å; I630-L633 HydrophobicContact CD1-CD1 4.3Å; I630-K634 PolarHBondContact O-N 2.97Å; I630-L653 HydrophobicContact CD1-CD2 4.06Å
631	K	93.7	Very high	90.5	Very high	87 Å²	87	52.6 Å²	52.6	38%	0.378	29%	0.287	S	S	.	.	H	α-helix	trans	-65	-48.7	170.7	-72	166.7	174.5	163.9	0	111.7	Y555 P625 Y626 H627 P628 L633 K634 E635	Y555-K631 WeakPolarHBondContact OH-CG 3.5Å; P625-K631 VanDerWaalsContact O-CE 3.29Å; P625-K631 WeakPolarHBondContact O-CE 3.41Å; Y626-K631 WeakPolarHBondContact O-CE 3.33Å; Y626-K631 PolarHBondContact O-NZ 3.01Å; H627-K631 PolarHBondContact O-N 2.94Å; P628-K631 PolarHBondContact O-N 2.92Å; K631-L633 VanDerWaalsContact C-N 3.33Å; K631-L633 PolarHBondContact O-N 3.08Å; K631-K634 WeakPolarHBondContact O-CB 3.49Å; K631-K634 PolarHBondContact O-N 3.02Å; K631-K634 VanDerWaalsContact O-N 3.13Å; K631-E635 WeakPolarHBondContact O-CG 3.49Å; K631-E635 PolarHBondContact O-N 3.39Å
632	A	92.1	Very high	89.2	Confident	41 Å²	41	54 Å²	54	34%	0.339	30%	0.298	S	S	.	.	H	α-helix	trans	-61.7	-38.9	177.1	0	0	0	0	0	112.4	P628 E635 Q636	P628-A632 WeakPolarHBondContact O-CB 3.4Å; P628-A632 PolarHBondContact O-N 2.67Å; A632-E635 PolarHBondContact O-N 2.97Å; A632-Q636 WeakPolarHBondContact O-CG 3.4Å; A632-Q636 PolarHBondContact O-N 2.92Å
633	L	91.6	Very high	88.1	Confident	16 Å²	16	57.3 Å²	57.3	8%	0.084	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-47.3	171.8	-76.7	170.6	0	0	0	111.3	L558 M629 I630 K631 E635 Q636 F637 V646 V650 L653	L558-L633 HydrophobicContact CD1-CB 4.24Å; L558-L633 HydrophobicContact CD2-CB 4.41Å; M629-L633 WeakPolarHBondContact O-CB 3.46Å; M629-L633 VanDerWaalsContact O-CG 3.29Å; M629-L633 WeakPolarHBondContact O-CG 3.45Å; M629-L633 PolarHBondContact O-N 3.47Å; I630-L633 HydrophobicContact CD1-CD1 4.3Å; K631-L633 VanDerWaalsContact C-N 3.33Å; K631-L633 PolarHBondContact O-N 3.08Å; L633-E635 VanDerWaalsContact C-N 3.35Å; L633-E635 PolarHBondContact O-N 2.75Å; L633-Q636 PolarHBondContact O-N 2.89Å; L633-F637 HydrophobicContact CD2-CE2 4.35Å; L633-F637 VanDerWaalsContact O-CD2 3.3Å; L633-F637 WeakPolarHBondContact O-CD2 3.38Å; L633-F637 PolarHBondContact O-N 2.84Å; L633-V646 HydrophobicContact CD2-CG1 3.87Å; L633-V650 HydrophobicContact CD2-CG2 4.11Å; L633-L653 HydrophobicContact CD1-CD2 3.86Å
634	K	92.6	Very high	87.4	Confident	40 Å²	40	64.2 Å²	64.2	17%	0.174	35%	0.349	C	S	.	.	H	α-helix	trans	-52.9	-51.9	175.6	-178.4	-180	166	174.4	0	111.4	S554 Y555 L558 I630 K631 Q636 F637 E638	S554-K634 VanDerWaalsContact O-CE 3.28Å; S554-K634 WeakPolarHBondContact O-CE 3.46Å; S554-K634 PolarHBondContact O-NZ 3.38Å; Y555-K634 HydrophobicContact CD1-CB 4.24Å; Y555-K634 HydrophobicContact CD1-CD 3.74Å; Y555-K634 HydrophobicContact CD1-CG 4.3Å; Y555-K634 HydrophobicContact CE1-CB 3.86Å; Y555-K634 HydrophobicContact CE1-CD 3.54Å; Y555-K634 HydrophobicContact CE1-CG 4.19Å; Y555-K634 HydrophobicContact CE2-CD 4.49Å; Y555-K634 HydrophobicContact CG-CD 4.3Å; L558-K634 HydrophobicContact CD2-CB 4.11Å; I630-K634 PolarHBondContact O-N 2.97Å; K631-K634 WeakPolarHBondContact O-CB 3.49Å; K631-K634 PolarHBondContact O-N 3.02Å; K631-K634 VanDerWaalsContact O-N 3.13Å; K634-Q636 VanDerWaalsContact C-N 3.31Å; K634-Q636 PolarHBondContact O-N 3.34Å; K634-F637 PolarHBondContact O-N 2.84Å; K634-E638 WeakPolarHBondContact CE-OE1 3.28Å; K634-E638 WeakPolarHBondContact CE-OE2 3.49Å; K634-E638 HydrophobicContact CG-CG 4.24Å; K634-E638 IonicContact NZ-OE1 2.84Å; K634-E638 WeakPolarHBondContact O-CB 3.28Å; K634-E638 WeakPolarHBondContact O-CG 3.48Å; K634-E638 PolarHBondContact O-N 2.96Å
635	E	90.7	Very high	86.7	Confident	130 Å²	130	67.5 Å²	67.5	61%	0.607	37%	0.366	S	S	*	.	H	α-helix	trans	-60.5	-36.8	179.9	-68.9	166.8	-165.6	0	0	112.7	K631 A632 L633 S639	K631-E635 WeakPolarHBondContact O-CG 3.49Å; K631-E635 PolarHBondContact O-N 3.39Å; A632-E635 PolarHBondContact O-N 2.97Å; L633-E635 VanDerWaalsContact C-N 3.35Å; L633-E635 PolarHBondContact O-N 2.75Å; E635-S639 VanDerWaalsContact O-CB 3.23Å; E635-S639 WeakPolarHBondContact O-CB 3.23Å; E635-S639 PolarHBondContact O-N 2.73Å; E635-S639 PolarHBondContact O-OG 2.84Å
636	Q	87.5	Confident	86.1	Confident	76 Å²	76	67.7 Å²	67.7	36%	0.355	37%	0.367	S	S	.	.	H	α-helix	trans	-71.1	-37.4	177.2	-75	179.6	2.5	0	0	113.3	A632 L633 K634 S639 S641 V646	A632-Q636 WeakPolarHBondContact O-CG 3.4Å; A632-Q636 PolarHBondContact O-N 2.92Å; L633-Q636 PolarHBondContact O-N 2.89Å; K634-Q636 VanDerWaalsContact C-N 3.31Å; K634-Q636 PolarHBondContact O-N 3.34Å; Q636-S639 PolarHBondContact O-OG 2.99Å; Q636-S641 PolarHBondContact O-N 2.88Å; Q636-V646 VanDerWaalsContact OE1-CG2 3.29Å
637	F	87	Confident	85.8	Confident	21 Å²	21	67.6 Å²	67.6	9%	0.092	37%	0.366	C	S	.	.	H	α-helix	trans	-73.5	-42.3	174.4	-80.5	-81.2	0	0	0	111.9	L558 E561 I565 L633 K634 S639 G640 V646 V650	L558-F637 HydrophobicContact CD1-CB 4.29Å; L558-F637 HydrophobicContact CD1-CD2 3.44Å; L558-F637 VanDerWaalsContact CD1-CD2 3.44Å; L558-F637 HydrophobicContact CD1-CE2 4.07Å; L558-F637 HydrophobicContact CD1-CG 4.06Å; E561-F637 HydrophobicContact CB-CD1 3.72Å; E561-F637 HydrophobicContact CB-CE1 3.84Å; E561-F637 HydrophobicContact CB-CG 4.33Å; E561-F637 HydrophobicContact CG-CD1 3.82Å; E561-F637 HydrophobicContact CG-CE1 4.33Å; I565-F637 HydrophobicContact CD1-CE1 3.9Å; I565-F637 HydrophobicContact CD1-CZ 3.51Å; L633-F637 HydrophobicContact CD2-CE2 4.35Å; L633-F637 VanDerWaalsContact O-CD2 3.3Å; L633-F637 WeakPolarHBondContact O-CD2 3.38Å; L633-F637 PolarHBondContact O-N 2.84Å; K634-F637 PolarHBondContact O-N 2.84Å; F637-S639 PolarHBondContact O-N 2.81Å; F637-G640 PolarHBondContact O-N 3.01Å; F637-V646 HydrophobicContact CD2-CG1 4.39Å; F637-V646 HydrophobicContact CE2-CG1 3.63Å; F637-V646 HydrophobicContact CZ-CG1 3.92Å; F637-V650 HydrophobicContact CE2-CG2 4.28Å; F637-V650 HydrophobicContact CZ-CG2 4.46Å
638	E	86.1	Confident	85.3	Confident	112 Å²	112	68.8 Å²	68.8	52%	0.523	37%	0.374	S	S	.	.	H	α-helix	trans	-69	-30.5	179.3	-71.2	-176.5	153	0	0	113.4	K634 G640	K634-E638 WeakPolarHBondContact CE-OE1 3.28Å; K634-E638 WeakPolarHBondContact CE-OE2 3.49Å; K634-E638 HydrophobicContact CG-CG 4.24Å; K634-E638 IonicContact NZ-OE1 2.84Å; K634-E638 WeakPolarHBondContact O-CB 3.28Å; K634-E638 WeakPolarHBondContact O-CG 3.48Å; K634-E638 PolarHBondContact O-N 2.96Å; E638-G640 VanDerWaalsContact C-N 3.28Å; E638-G640 PolarHBondContact O-N 3.21Å
639	S	85.2	Confident	84.9	Confident	75 Å²	75	67.5 Å²	67.5	52%	0.524	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-4.8	173.3	60.7	0	0	0	0	114.3	E635 Q636 F637 S641	E635-S639 VanDerWaalsContact O-CB 3.23Å; E635-S639 WeakPolarHBondContact O-CB 3.23Å; E635-S639 PolarHBondContact O-N 2.73Å; E635-S639 PolarHBondContact O-OG 2.84Å; Q636-S639 PolarHBondContact O-OG 2.99Å; F637-S639 PolarHBondContact O-N 2.81Å; S639-S641 PolarHBondContact O-N 2.9Å; S639-S641 WeakPolarHBondContact OG-CB 3.29Å; S639-S641 PolarHBondContact OG-OG 3.18Å
640	G	78	Confident	84.9	Confident	59 Å²	59	62.9 Å²	62.9	61%	0.608	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	10.7	-173.6	0	0	0	0	0	114.4	F637 E638 S642	F637-G640 PolarHBondContact O-N 3.01Å; E638-G640 VanDerWaalsContact C-N 3.28Å; E638-G640 PolarHBondContact O-N 3.21Å; G640-S642 PolarHBondContact O-N 2.86Å; G640-S642 VanDerWaalsContact O-N 3.14Å
641	S	70	Confident	84.6	Confident	69 Å²	69	65.1 Å²	65.1	48%	0.483	35%	0.349	S	S	.	.			trans	-81.4	20.2	-177.9	-52.8	0	0	0	0	113.3	Q636 S639 T643	Q636-S641 PolarHBondContact O-N 2.88Å; S639-S641 PolarHBondContact O-N 2.9Å; S639-S641 WeakPolarHBondContact OG-CB 3.29Å; S639-S641 PolarHBondContact OG-OG 3.18Å; S641-T643 VanDerWaalsContact C-N 3.31Å; S641-T643 PolarHBondContact O-N 3.2Å
642	S	67.3	Low	84.5	Confident	34 Å²	34	62 Å²	62	24%	0.238	34%	0.337	C	S	.	.			trans	-76.7	73.4	-172	54	0	0	0	0	112.8	G640	G640-S642 PolarHBondContact O-N 2.86Å; G640-S642 VanDerWaalsContact O-N 3.14Å
643	T	73.6	Confident	84.5	Confident	82 Å²	82	61.2 Å²	61.2	50%	0.503	33%	0.327	S	S	.	.			trans	-62	166.8	173.8	68.9	0	0	0	0	112.1	S641 L645 V646 R647	S641-T643 VanDerWaalsContact C-N 3.31Å; S641-T643 PolarHBondContact O-N 3.2Å; T643-L645 PolarHBondContact O-N 3Å; T643-V646 WeakPolarHBondContact O-CB 3.32Å; T643-V646 PolarHBondContact O-N 2.81Å; T643-R647 PolarHBondContact O-N 2.87Å
644	K	80	Confident	84.7	Confident	145 Å²	145	60.8 Å²	60.8	63%	0.63	32%	0.324	S	S	*	.	H	α-helix	trans	-50.1	-42.9	173.3	-172.5	-168.4	172.2	-90.9	0	111.7	V646 R647 D648	K644-V646 VanDerWaalsContact C-N 3.26Å; K644-V646 PolarHBondContact O-N 2.94Å; K644-R647 WeakPolarHBondContact O-CA 3.41Å; K644-R647 WeakPolarHBondContact O-CB 3.45Å; K644-R647 PolarHBondContact O-N 2.81Å; K644-D648 IonicContact NZ-OD1 2.72Å; K644-D648 IonicContact NZ-OD2 3.77Å; K644-D648 PolarHBondContact NZ-OD2 3.08Å; K644-D648 PolarHBondContact O-N 2.97Å
645	L	80.3	Confident	84.7	Confident	68 Å²	68	59.4 Å²	59.4	36%	0.356	32%	0.318	S	S	.	.	H	α-helix	trans	-56	-37.9	178.5	-176.7	65.5	0	0	0	112.5	T643 R647 D648 L649 M681	T643-L645 PolarHBondContact O-N 3Å; L645-R647 VanDerWaalsContact C-N 3.32Å; L645-R647 PolarHBondContact O-N 3.18Å; L645-D648 PolarHBondContact O-N 3.06Å; L645-L649 HydrophobicContact CG-CD1 4.17Å; L645-L649 WeakPolarHBondContact O-CB 3.44Å; L645-L649 VanDerWaalsContact O-CG 3.23Å; L645-L649 WeakPolarHBondContact O-CG 3.05Å; L645-L649 PolarHBondContact O-N 2.87Å; L645-M681 HydrophobicContact CD1-CE 3.98Å; L645-M681 HydrophobicContact CD1-SD 4.09Å; L645-M681 HydrophobicContact CD2-CE 3.99Å
646	V	83.1	Confident	84.8	Confident	5 Å²	5	56.5 Å²	56.5	3%	0.03	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-36.7	177.1	-172.8	0	0	0	0	111.2	L633 Q636 F637 T643 K644 V650	L633-V646 HydrophobicContact CD2-CG1 3.87Å; Q636-V646 VanDerWaalsContact OE1-CG2 3.29Å; F637-V646 HydrophobicContact CD2-CG1 4.39Å; F637-V646 HydrophobicContact CE2-CG1 3.63Å; F637-V646 HydrophobicContact CZ-CG1 3.92Å; T643-V646 WeakPolarHBondContact O-CB 3.32Å; T643-V646 PolarHBondContact O-N 2.81Å; K644-V646 VanDerWaalsContact C-N 3.26Å; K644-V646 PolarHBondContact O-N 2.94Å; V646-V650 WeakPolarHBondContact O-CG2 2.87Å; V646-V650 PolarHBondContact O-N 3.23Å
647	R	85	Confident	85.1	Confident	129 Å²	129	53 Å²	53	49%	0.487	29%	0.293	S	S	.	.	H	α-helix	trans	-71.9	-41.7	176.4	-56.3	-174.6	179.3	-164.9	-5.6	111.7	I565 T643 K644 L645 L649 V650 Q651	I565-R647 HydrophobicContact CD1-CB 4.35Å; I565-R647 HydrophobicContact CD1-CG 3.94Å; I565-R647 HydrophobicContact CG1-CG 4.23Å; I565-R647 HydrophobicContact CG2-CB 4.34Å; T643-R647 PolarHBondContact O-N 2.87Å; K644-R647 WeakPolarHBondContact O-CA 3.41Å; K644-R647 WeakPolarHBondContact O-CB 3.45Å; K644-R647 PolarHBondContact O-N 2.81Å; L645-R647 VanDerWaalsContact C-N 3.32Å; L645-R647 PolarHBondContact O-N 3.18Å; R647-L649 VanDerWaalsContact C-N 3.31Å; R647-L649 PolarHBondContact O-N 2.92Å; R647-V650 PolarHBondContact O-N 3.25Å; R647-Q651 PolarHBondContact O-N 2.96Å; R647-Q651 VanDerWaalsContact O-N 3.08Å
648	D	84.4	Confident	85.3	Confident	62 Å²	62	52.3 Å²	52.3	33%	0.332	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-39.2	175.4	-61.6	-27	0	0	0	110.9	K644 L645 Q651 L652	K644-D648 IonicContact NZ-OD1 2.72Å; K644-D648 IonicContact NZ-OD2 3.77Å; K644-D648 PolarHBondContact NZ-OD2 3.08Å; K644-D648 PolarHBondContact O-N 2.97Å; L645-D648 PolarHBondContact O-N 3.06Å; D648-Q651 PolarHBondContact O-N 2.74Å; D648-L652 PolarHBondContact O-N 2.71Å
649	L	87.7	Confident	85.6	Confident	66 Å²	66	52 Å²	52	35%	0.346	29%	0.292	S	S	.	.	H	α-helix	trans	-66.1	-36.3	172.7	-74.8	169.6	0	0	0	113.3	L645 R647 L652 L653 M678	L645-L649 HydrophobicContact CG-CD1 4.17Å; L645-L649 WeakPolarHBondContact O-CB 3.44Å; L645-L649 VanDerWaalsContact O-CG 3.23Å; L645-L649 WeakPolarHBondContact O-CG 3.05Å; L645-L649 PolarHBondContact O-N 2.87Å; R647-L649 VanDerWaalsContact C-N 3.31Å; R647-L649 PolarHBondContact O-N 2.92Å; L649-L652 HydrophobicContact CD2-CD2 4.19Å; L649-L652 PolarHBondContact O-N 3.13Å; L649-L653 VanDerWaalsContact O-CB 3.28Å; L649-L653 WeakPolarHBondContact O-CB 3.19Å; L649-L653 PolarHBondContact O-N 3.37Å; L649-M678 HydrophobicContact CD2-SD 4.05Å
650	V	91.6	Very high	85.9	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.024	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-40.5	174.1	163.9	0	0	0	0	111.5	I562 I565 L566 L633 F637 V646 R647 L653 F654	I562-V650 HydrophobicContact CB-CG1 4.34Å; I562-V650 HydrophobicContact CG1-CG1 4.08Å; I562-V650 HydrophobicContact CG1-CG2 4.19Å; I562-V650 HydrophobicContact CG2-CG1 3.89Å; I565-V650 HydrophobicContact CB-CG1 4.2Å; I565-V650 HydrophobicContact CD1-CB 4.44Å; I565-V650 HydrophobicContact CD1-CG1 4.29Å; I565-V650 HydrophobicContact CD1-CG2 4.45Å; I565-V650 HydrophobicContact CG2-CB 4.24Å; I565-V650 HydrophobicContact CG2-CG1 3.8Å; L566-V650 HydrophobicContact CD2-CG1 4.31Å; L566-V650 HydrophobicContact CG-CG1 4.34Å; L633-V650 HydrophobicContact CD2-CG2 4.11Å; F637-V650 HydrophobicContact CE2-CG2 4.28Å; F637-V650 HydrophobicContact CZ-CG2 4.46Å; V646-V650 WeakPolarHBondContact O-CG2 2.87Å; V646-V650 PolarHBondContact O-N 3.23Å; R647-V650 PolarHBondContact O-N 3.25Å; V650-L653 PolarHBondContact O-N 3.09Å; V650-F654 PolarHBondContact O-N 2.98Å; V650-F654 VanDerWaalsContact O-N 3.08Å
651	Q	89.6	Confident	86.6	Confident	47 Å²	47	48.7 Å²	48.7	22%	0.22	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-46.4	174.6	-178.1	62	54.2	0	0	111.4	R647 D648 L653 F654 D655	R647-Q651 PolarHBondContact O-N 2.96Å; R647-Q651 VanDerWaalsContact O-N 3.08Å; D648-Q651 PolarHBondContact O-N 2.74Å; Q651-L653 VanDerWaalsContact C-N 3.33Å; Q651-L653 PolarHBondContact O-N 3.28Å; Q651-F654 WeakPolarHBondContact O-CB 3.26Å; Q651-F654 PolarHBondContact O-N 2.95Å; Q651-D655 PolarHBondContact NE2-OD1 3.12Å; Q651-D655 PolarHBondContact O-N 3.34Å
652	L	90.8	Very high	87.6	Confident	22 Å²	22	47.4 Å²	47.4	12%	0.115	26%	0.258	C	S	.	.	H	α-helix	trans	-57.6	-44.1	175.2	174.9	80.6	0	0	0	112.4	D648 L649 F654 D655 T656 I675 M678	D648-L652 PolarHBondContact O-N 2.71Å; L649-L652 HydrophobicContact CD2-CD2 4.19Å; L649-L652 PolarHBondContact O-N 3.13Å; L652-F654 VanDerWaalsContact C-N 3.29Å; L652-F654 PolarHBondContact O-N 2.76Å; L652-D655 PolarHBondContact O-N 2.83Å; L652-T656 WeakPolarHBondContact O-CB 3.38Å; L652-T656 PolarHBondContact O-N 3.09Å; L652-T656 PolarHBondContact O-OG1 3.36Å; L652-I675 HydrophobicContact CD1-CG1 4.04Å; L652-M678 HydrophobicContact CD1-CE 4.07Å; L652-M678 HydrophobicContact CD2-CE 3.33Å; L652-M678 HydrophobicContact CD2-SD 3.33Å; L652-M678 WeakPolarHBondContact CD2-SD 3.38Å; L652-M678 HydrophobicContact CG-CE 4.33Å
653	L	93.1	Very high	88.6	Confident	24 Å²	24	46.2 Å²	46.2	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-40.4	178.7	179.9	62.7	0	0	0	110.8	P583 C584 I630 L633 L649 V650 Q651 A657	P583-L653 HydrophobicContact CB-CD1 4.21Å; P583-L653 HydrophobicContact CG-CD1 3.89Å; C584-L653 VanDerWaalsContact SG-CD1 3.58Å; C584-L653 VanDerWaalsContact SG-CG 3.59Å; I630-L653 HydrophobicContact CD1-CD2 4.06Å; L633-L653 HydrophobicContact CD1-CD2 3.86Å; L649-L653 VanDerWaalsContact O-CB 3.28Å; L649-L653 WeakPolarHBondContact O-CB 3.19Å; L649-L653 PolarHBondContact O-N 3.37Å; V650-L653 PolarHBondContact O-N 3.09Å; Q651-L653 VanDerWaalsContact C-N 3.33Å; Q651-L653 PolarHBondContact O-N 3.28Å; L653-A657 WeakPolarHBondContact O-CB 3.33Å; L653-A657 PolarHBondContact O-N 2.95Å
654	F	94.2	Very high	89.3	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-44.4	174.1	174.4	-101.1	0	0	0	113.1	L566 N569 V570 V586 L621 V650 Q651 L652 T656 A657 L658	L566-F654 HydrophobicContact CD1-CB 3.93Å; L566-F654 HydrophobicContact CD1-CD2 3.65Å; L566-F654 HydrophobicContact CD1-CE2 4.32Å; L566-F654 HydrophobicContact CD1-CG 3.82Å; L566-F654 HydrophobicContact CD2-CB 3.57Å; L566-F654 HydrophobicContact CD2-CD1 3.92Å; L566-F654 HydrophobicContact CD2-CD2 4.38Å; L566-F654 HydrophobicContact CD2-CG 3.7Å; L566-F654 HydrophobicContact CG-CB 4.42Å; L566-F654 HydrophobicContact CG-CG 4.39Å; N569-F654 HydrophobicContact CB-CE1 3.73Å; N569-F654 HydrophobicContact CB-CZ 3.92Å; N569-F654 WeakPolarHBondContact O-CZ 3.42Å; V570-F654 HydrophobicContact CB-CE2 4.26Å; V570-F654 HydrophobicContact CG2-CE2 4.42Å; V586-F654 HydrophobicContact CG2-CD2 4.14Å; V586-F654 HydrophobicContact CG2-CE2 3.91Å; L621-F654 HydrophobicContact CD1-CD2 4.25Å; L621-F654 HydrophobicContact CD2-CD2 4.22Å; V650-F654 PolarHBondContact O-N 2.98Å; V650-F654 VanDerWaalsContact O-N 3.08Å; Q651-F654 WeakPolarHBondContact O-CB 3.26Å; Q651-F654 PolarHBondContact O-N 2.95Å; L652-F654 VanDerWaalsContact C-N 3.29Å; L652-F654 PolarHBondContact O-N 2.76Å; F654-T656 VanDerWaalsContact C-N 3.31Å; F654-T656 PolarHBondContact O-N 2.99Å; F654-A657 CarbonylContact O-C 3.5Å; F654-A657 WeakPolarHBondContact O-CB 3.38Å; F654-A657 PolarHBondContact O-N 3.41Å; F654-L658 HydrophobicContact CD1-CD1 4.04Å; F654-L658 HydrophobicContact CD1-CG 4.38Å; F654-L658 HydrophobicContact CE1-CD1 3.49Å; F654-L658 VanDerWaalsContact CE1-CD1 3.49Å; F654-L658 HydrophobicContact CE1-CD2 4.45Å; F654-L658 HydrophobicContact CE1-CG 3.96Å; F654-L658 HydrophobicContact CE2-CD2 4.48Å; F654-L658 HydrophobicContact CE2-CG 4.41Å; F654-L658 HydrophobicContact CZ-CD1 3.93Å; F654-L658 HydrophobicContact CZ-CD2 4.04Å; F654-L658 HydrophobicContact CZ-CG 3.98Å; F654-L658 PolarHBondContact O-N 3.42Å
655	D	92.7	Very high	89.7	Confident	11 Å²	11	40.4 Å²	40.4	6%	0.059	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-43.1	175.1	-63.8	-14.2	0	0	0	111.5	Q651 L652 A657 L658 L659 L665 H671	Q651-D655 PolarHBondContact NE2-OD1 3.12Å; Q651-D655 PolarHBondContact O-N 3.34Å; L652-D655 PolarHBondContact O-N 2.83Å; D655-A657 VanDerWaalsContact C-N 3.3Å; D655-A657 PolarHBondContact O-N 3.4Å; D655-L658 WeakPolarHBondContact O-CB 3.43Å; D655-L658 PolarHBondContact O-N 3.41Å; D655-L659 PolarHBondContact O-N 2.71Å; D655-L659 VanDerWaalsContact O-N 3.08Å; D655-L665 HydrophobicContact CB-CD2 3.98Å; D655-L665 WeakPolarHBondContact O-CD2 3.37Å; D655-H671 VanDerWaalsContact CB-CE1 3.47Å; D655-H671 WeakPolarHBondContact CB-CE1 3.31Å; D655-H671 WeakPolarHBondContact CB-ND1 3.31Å; D655-H671 IonicContact OD2-CG 3.72Å; D655-H671 IonicContact OD2-ND1 2.77Å; D655-H671 PolarHBondContact OD2-ND1 2.81Å; D655-H671 VanDerWaalsContact OD2-ND1 3.1Å
656	T	92.9	Very high	89.9	Confident	69 Å²	69	42.8 Å²	42.8	42%	0.423	25%	0.246	S	C	.	.	H	α-helix	trans	-63.2	-40	176.7	-52.1	0	0	0	0	110.5	L652 F654 L659 S660	L652-T656 WeakPolarHBondContact O-CB 3.38Å; L652-T656 PolarHBondContact O-N 3.09Å; L652-T656 PolarHBondContact O-OG1 3.36Å; F654-T656 VanDerWaalsContact C-N 3.31Å; F654-T656 PolarHBondContact O-N 2.99Å; T656-L659 PolarHBondContact O-N 2.87Å; T656-S660 PolarHBondContact O-N 3.46Å; T656-S660 PolarHBondContact O-OG 3.41Å
657	A	94.1	Very high	90.1	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.017	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-42.1	174.4	0	0	0	0	0	112.3	V586 L621 L653 F654 D655 L659 S660 S661	V586-A657 HydrophobicContact CG2-CB 3.89Å; L621-A657 HydrophobicContact CD1-CB 4.18Å; L653-A657 WeakPolarHBondContact O-CB 3.33Å; L653-A657 PolarHBondContact O-N 2.95Å; F654-A657 CarbonylContact O-C 3.5Å; F654-A657 WeakPolarHBondContact O-CB 3.38Å; F654-A657 PolarHBondContact O-N 3.41Å; D655-A657 VanDerWaalsContact C-N 3.3Å; D655-A657 PolarHBondContact O-N 3.4Å; A657-L659 VanDerWaalsContact C-N 3.33Å; A657-L659 PolarHBondContact O-N 3.28Å; A657-S660 WeakPolarHBondContact CA-OG 3.48Å; A657-S660 PolarHBondContact O-N 2.86Å; A657-S660 PolarHBondContact O-OG 3.38Å; A657-S661 VanDerWaalsContact O-CB 3.28Å; A657-S661 WeakPolarHBondContact O-CB 3.17Å; A657-S661 PolarHBondContact O-N 3.29Å; A657-S661 PolarHBondContact O-OG 3.16Å
658	L	92.7	Very high	90.3	Very high	7 Å²	7	44 Å²	44	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-54.9	-48.1	173.5	-77.3	174.9	0	0	0	111.5	V586 K619 F654 D655 S661 G662 F663 L665	V586-L658 HydrophobicContact CB-CD2 4.25Å; V586-L658 HydrophobicContact CG1-CD2 4.01Å; V586-L658 HydrophobicContact CG2-CD2 3.98Å; V586-L658 HydrophobicContact CG2-CG 4.22Å; K619-L658 HydrophobicContact CD-CD2 4.01Å; F654-L658 HydrophobicContact CD1-CD1 4.04Å; F654-L658 HydrophobicContact CD1-CG 4.38Å; F654-L658 HydrophobicContact CE1-CD1 3.49Å; F654-L658 VanDerWaalsContact CE1-CD1 3.49Å; F654-L658 HydrophobicContact CE1-CD2 4.45Å; F654-L658 HydrophobicContact CE1-CG 3.96Å; F654-L658 HydrophobicContact CE2-CD2 4.48Å; F654-L658 HydrophobicContact CE2-CG 4.41Å; F654-L658 HydrophobicContact CZ-CD1 3.93Å; F654-L658 HydrophobicContact CZ-CD2 4.04Å; F654-L658 HydrophobicContact CZ-CG 3.98Å; F654-L658 PolarHBondContact O-N 3.42Å; D655-L658 WeakPolarHBondContact O-CB 3.43Å; D655-L658 PolarHBondContact O-N 3.41Å; L658-S661 CarbonylContact O-C 3.52Å; L658-S661 PolarHBondContact O-N 2.88Å; L658-G662 PolarHBondContact O-N 3.08Å; L658-F663 HydrophobicContact CB-CB 4.3Å; L658-F663 HydrophobicContact CD2-CB 4.04Å; L658-F663 HydrophobicContact CD2-CD2 3.76Å; L658-F663 HydrophobicContact CD2-CE2 4.42Å; L658-F663 HydrophobicContact CD2-CG 4.06Å; L658-F663 PolarHBondContact O-N 3.05Å; L658-L665 HydrophobicContact CB-CD2 4.3Å
659	L	91.6	Very high	90.6	Very high	105 Å²	105	48.1 Å²	48.1	55%	0.55	28%	0.281	S	S	.	.	H	α-helix	trans	-64.1	-46.5	179.6	-175.7	63.2	0	0	0	111.6	D655 T656 A657 S661 G662	D655-L659 PolarHBondContact O-N 2.71Å; D655-L659 VanDerWaalsContact O-N 3.08Å; T656-L659 PolarHBondContact O-N 2.87Å; A657-L659 VanDerWaalsContact C-N 3.33Å; A657-L659 PolarHBondContact O-N 3.28Å; L659-S661 PolarHBondContact O-N 3.12Å; L659-G662 PolarHBondContact O-N 2.95Å
660	S	91.7	Very high	90.6	Very high	57 Å²	57	49.4 Å²	49.4	40%	0.399	29%	0.288	S	S	.	.	H	α-helix	trans	-65.4	-25.6	177.6	73.2	0	0	0	0	113.9	T656 A657 G662	T656-S660 PolarHBondContact O-N 3.46Å; T656-S660 PolarHBondContact O-OG 3.41Å; A657-S660 WeakPolarHBondContact CA-OG 3.48Å; A657-S660 PolarHBondContact O-N 2.86Å; A657-S660 PolarHBondContact O-OG 3.38Å; S660-G662 VanDerWaalsContact C-N 3.34Å
661	S	92.5	Very high	90.4	Very high	9 Å²	9	50.1 Å²	50.1	6%	0.063	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	2.7	173.2	-68.6	0	0	0	0	113.8	F494 V586 A595 A657 L658 L659	F494-S661 VanDerWaalsContact CZ-OG 3.26Å; F494-S661 WeakPolarHBondContact CZ-OG 3.43Å; V586-S661 PolarHBondContact N-OG 3.24Å; V586-S661 VanDerWaalsContact O-CB 3.29Å; V586-S661 WeakPolarHBondContact O-CB 3.3Å; V586-S661 PolarHBondContact O-OG 3.36Å; V586-S661 VanDerWaalsContact O-OG 3.09Å; A595-S661 VanDerWaalsContact CB-O 3.26Å; A595-S661 WeakPolarHBondContact CB-O 3.4Å; A657-S661 VanDerWaalsContact O-CB 3.28Å; A657-S661 WeakPolarHBondContact O-CB 3.17Å; A657-S661 PolarHBondContact O-N 3.29Å; A657-S661 PolarHBondContact O-OG 3.16Å; L658-S661 CarbonylContact O-C 3.52Å; L658-S661 PolarHBondContact O-N 2.88Å; L659-S661 PolarHBondContact O-N 3.12Å
662	G	89.9	Confident	90.5	Very high	42 Å²	42	49.8 Å²	49.8	43%	0.433	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	16.8	174	0	0	0	0	0	115.6	L658 L659 S660	L658-G662 PolarHBondContact O-N 3.08Å; L659-G662 PolarHBondContact O-N 2.95Å; S660-G662 VanDerWaalsContact C-N 3.34Å
663	F	90.3	Very high	90.3	Very high	9 Å²	9	54.8 Å²	54.8	4%	0.039	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-87.9	146.8	174.2	-63.7	-79	0	0	0	112.2	V586 T588 A595 K619 L658	V586-F663 HydrophobicContact CB-CD2 4.32Å; V586-F663 HydrophobicContact CB-CE2 3.87Å; V586-F663 HydrophobicContact CG1-CD2 4.25Å; V586-F663 HydrophobicContact CG1-CE2 3.59Å; V586-F663 HydrophobicContact CG1-CZ 4.24Å; T588-F663 HydrophobicContact CG2-CE1 3.92Å; T588-F663 HydrophobicContact CG2-CZ 3.52Å; A595-F663 HydrophobicContact CB-CD1 3.57Å; A595-F663 HydrophobicContact CB-CD2 4.05Å; A595-F663 HydrophobicContact CB-CE1 3.5Å; A595-F663 VanDerWaalsContact CB-CE1 3.5Å; A595-F663 HydrophobicContact CB-CE2 3.98Å; A595-F663 HydrophobicContact CB-CG 3.88Å; A595-F663 HydrophobicContact CB-CZ 3.74Å; K619-F663 HydrophobicContact CD-CE1 4.31Å; K619-F663 HydrophobicContact CD-CZ 4.42Å; K619-F663 HydrophobicContact CG-CE1 4.17Å; K619-F663 HydrophobicContact CG-CE2 4.47Å; K619-F663 HydrophobicContact CG-CZ 3.94Å; L658-F663 HydrophobicContact CB-CB 4.3Å; L658-F663 HydrophobicContact CD2-CB 4.04Å; L658-F663 HydrophobicContact CD2-CD2 3.76Å; L658-F663 HydrophobicContact CD2-CE2 4.42Å; L658-F663 HydrophobicContact CD2-CG 4.06Å; L658-F663 PolarHBondContact O-N 3.05Å
664	S	87.3	Confident	90	Very high	73 Å²	73	55.4 Å²	55.4	51%	0.51	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-66.5	130.8	166	-41.7	0	0	0	0	110.7
665	L	88.2	Confident	89.7	Confident	32 Å²	32	58.2 Å²	58.2	17%	0.168	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-65.8	134.6	171.9	-68.8	174.3	0	0	0	110.7	D655 L658 D667 P668 H671	D655-L665 HydrophobicContact CB-CD2 3.98Å; D655-L665 WeakPolarHBondContact O-CD2 3.37Å; L658-L665 HydrophobicContact CB-CD2 4.3Å; L665-D667 PolarHBondContact O-N 3.19Å; L665-P668 HydrophobicContact CB-CG 4.26Å; L665-H671 HydrophobicContact CD1-CB 4.01Å
666	P	84.1	Confident	89.5	Confident	117 Å²	117	63.3 Å²	63.3	76%	0.76	36%	0.359	S	S	*	.	S	Bend	trans	-64.1	-36.8	177.4	-24	34.6	0	0	0	114
667	D	87	Confident	89.1	Confident	77 Å²	77	63.2 Å²	63.2	41%	0.412	35%	0.354	S	S	.	.			trans	-140	95.6	172.8	-176.3	-7	0	0	0	110.7	L665 K669 L670 H671	L665-D667 PolarHBondContact O-N 3.19Å; D667-K669 PolarHBondContact O-N 3.13Å; D667-K669 VanDerWaalsContact OD1-CA 3.3Å; D667-K669 WeakPolarHBondContact OD1-CA 3.18Å; D667-K669 WeakPolarHBondContact OD1-CB 3.22Å; D667-K669 PolarHBondContact OD1-N 2.82Å; D667-L670 HydrophobicContact CB-CB 3.91Å; D667-L670 PolarHBondContact O-N 3.4Å; D667-L670 PolarHBondContact OD1-N 2.92Å; D667-L670 WeakPolarHBondContact OD2-CB 3.41Å; D667-H671 PolarHBondContact O-N 3.01Å; D667-H671 VanDerWaalsContact O-N 3.15Å
668	P	90.8	Very high	88.6	Confident	83 Å²	83	65.9 Å²	65.9	54%	0.539	37%	0.367	S	S	.	.	H	α-helix	trans	-61.3	-23.9	173.9	-22.8	33.5	0	0	0	114.1	L665 S672	L665-P668 HydrophobicContact CB-CG 4.26Å; P668-S672 WeakPolarHBondContact O-CB 3.31Å; P668-S672 PolarHBondContact O-N 3.16Å; P668-S672 PolarHBondContact O-OG 2.64Å
669	K	90.5	Very high	88.3	Confident	148 Å²	148	69.2 Å²	69.2	64%	0.643	39%	0.387	S	S	*	.	H	α-helix	trans	-77.8	-33.1	178.8	-169.2	176.8	-177.6	174.7	0	111.3	D667 S672 K673	D667-K669 PolarHBondContact O-N 3.13Å; D667-K669 VanDerWaalsContact OD1-CA 3.3Å; D667-K669 WeakPolarHBondContact OD1-CA 3.18Å; D667-K669 WeakPolarHBondContact OD1-CB 3.22Å; D667-K669 PolarHBondContact OD1-N 2.82Å; K669-S672 WeakPolarHBondContact CA-OG 3.41Å; K669-S672 PolarHBondContact O-OG 3.33Å; K669-K673 WeakPolarHBondContact O-CB 3.34Å; K669-K673 VanDerWaalsContact O-CG 3.26Å; K669-K673 WeakPolarHBondContact O-CG 3.25Å; K669-K673 PolarHBondContact O-N 3.02Å
670	L	86.9	Confident	88.1	Confident	94 Å²	94	65.3 Å²	65.3	49%	0.492	37%	0.368	S	S	.	.	H	α-helix	trans	-68.9	-47	169.6	-177	61	0	0	0	111	D667 S672 K673 S674	D667-L670 HydrophobicContact CB-CB 3.91Å; D667-L670 PolarHBondContact O-N 3.4Å; D667-L670 PolarHBondContact OD1-N 2.92Å; D667-L670 WeakPolarHBondContact OD2-CB 3.41Å; L670-S672 PolarHBondContact O-N 2.98Å; L670-K673 WeakPolarHBondContact O-CB 3.25Å; L670-K673 PolarHBondContact O-N 2.91Å; L670-S674 PolarHBondContact O-N 3.06Å; L670-S674 VanDerWaalsContact O-N 3.09Å; L670-S674 PolarHBondContact O-OG 3.25Å
671	H	88.6	Confident	87.7	Confident	19 Å²	19	66.8 Å²	66.8	9%	0.088	37%	0.37	C	S	.	.	H	α-helix	trans	-59.1	-47.7	178.9	-175.7	65.8	0	0	0	112.7	D655 L665 D667 K673 S674 I675	D655-H671 VanDerWaalsContact CB-CE1 3.47Å; D655-H671 WeakPolarHBondContact CB-CE1 3.31Å; D655-H671 WeakPolarHBondContact CB-ND1 3.31Å; D655-H671 IonicContact OD2-CG 3.72Å; D655-H671 IonicContact OD2-ND1 2.77Å; D655-H671 PolarHBondContact OD2-ND1 2.81Å; D655-H671 VanDerWaalsContact OD2-ND1 3.1Å; L665-H671 HydrophobicContact CD1-CB 4.01Å; D667-H671 PolarHBondContact O-N 3.01Å; D667-H671 VanDerWaalsContact O-N 3.15Å; H671-K673 PolarHBondContact O-N 3.19Å; H671-S674 WeakPolarHBondContact O-CB 3.3Å; H671-S674 PolarHBondContact O-N 3.04Å; H671-I675 PolarHBondContact O-N 2.78Å; H671-I675 VanDerWaalsContact O-N 3.12Å
672	S	90.2	Very high	87.4	Confident	40 Å²	40	71.6 Å²	71.6	28%	0.28	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-36.2	175.8	49.8	0	0	0	0	113.1	P668 K669 L670 S674 I675 H676	P668-S672 WeakPolarHBondContact O-CB 3.31Å; P668-S672 PolarHBondContact O-N 3.16Å; P668-S672 PolarHBondContact O-OG 2.64Å; K669-S672 WeakPolarHBondContact CA-OG 3.41Å; K669-S672 PolarHBondContact O-OG 3.33Å; L670-S672 PolarHBondContact O-N 2.98Å; S672-S674 PolarHBondContact O-N 2.85Å; S672-I675 PolarHBondContact O-N 3.47Å; S672-H676 PolarHBondContact O-CD2 2.98Å; S672-H676 VanDerWaalsContact O-CD2 3.31Å; S672-H676 PolarHBondContact O-N 2.97Å; S672-H676 PolarHBondContact O-ND1 2.99Å
673	K	87.8	Confident	87.4	Confident	127 Å²	127	75 Å²	75	55%	0.552	41%	0.41	S	S	*	.	H	α-helix	trans	-59.3	-42.9	171.1	-81.4	175	173.8	-171.9	0	112.6	K669 L670 H671 I675 H676 H677	K669-K673 WeakPolarHBondContact O-CB 3.34Å; K669-K673 VanDerWaalsContact O-CG 3.26Å; K669-K673 WeakPolarHBondContact O-CG 3.25Å; K669-K673 PolarHBondContact O-N 3.02Å; L670-K673 WeakPolarHBondContact O-CB 3.25Å; L670-K673 PolarHBondContact O-N 2.91Å; H671-K673 PolarHBondContact O-N 3.19Å; K673-I675 VanDerWaalsContact C-N 3.34Å; K673-H676 PolarHBondContact O-N 2.92Å; K673-H677 WeakPolarHBondContact O-CB 3.36Å; K673-H677 PolarHBondContact O-N 3.13Å
674	S	85.3	Confident	87.3	Confident	37 Å²	37	81.7 Å²	81.7	26%	0.259	45%	0.446	S	S	.	.	H	α-helix	trans	-62	-42.2	176.7	-58.8	0	0	0	0	111.6	L670 H671 S672 H677 M678	L670-S674 PolarHBondContact O-N 3.06Å; L670-S674 VanDerWaalsContact O-N 3.09Å; L670-S674 PolarHBondContact O-OG 3.25Å; H671-S674 WeakPolarHBondContact O-CB 3.3Å; H671-S674 PolarHBondContact O-N 3.04Å; S672-S674 PolarHBondContact O-N 2.85Å; S674-H677 PolarHBondContact O-N 3.42Å; S674-M678 PolarHBondContact O-N 2.95Å; S674-M678 VanDerWaalsContact O-N 3.1Å
675	I	88.6	Confident	87.1	Confident	64 Å²	64	81.3 Å²	81.3	33%	0.328	44%	0.438	S	S	.	.	H	α-helix	trans	-62.7	-48.1	173.9	-65.3	170.4	0	0	0	111	L652 H671 S672 K673 H677 M678 V679	L652-I675 HydrophobicContact CD1-CG1 4.04Å; H671-I675 PolarHBondContact O-N 2.78Å; H671-I675 VanDerWaalsContact O-N 3.12Å; S672-I675 PolarHBondContact O-N 3.47Å; K673-I675 VanDerWaalsContact C-N 3.34Å; I675-H677 VanDerWaalsContact C-N 3.33Å; I675-H677 PolarHBondContact O-N 2.98Å; I675-M678 HydrophobicContact CG1-CE 4.44Å; I675-M678 PolarHBondContact O-N 3.38Å; I675-V679 HydrophobicContact CG2-CG2 4.33Å; I675-V679 WeakPolarHBondContact O-CG2 3.43Å; I675-V679 PolarHBondContact O-N 2.81Å
676	H	88.7	Confident	86.5	Confident	118 Å²	118	83 Å²	83	55%	0.546	45%	0.451	S	S	.	.	H	α-helix	trans	-61.4	-40.3	179.6	-61.1	164.2	0	0	0	112	S672 K673 V679 C680	S672-H676 PolarHBondContact O-CD2 2.98Å; S672-H676 VanDerWaalsContact O-CD2 3.31Å; S672-H676 PolarHBondContact O-N 2.97Å; S672-H676 PolarHBondContact O-ND1 2.99Å; K673-H676 PolarHBondContact O-N 2.92Å; H676-V679 PolarHBondContact O-N 2.94Å; H676-C680 PolarHBondContact O-N 3.08Å; H676-C680 PolarHBondContact O-SG 3.1Å; H676-C680 VanDerWaalsContact O-SG 3.33Å
677	H	83.6	Confident	86	Confident	68 Å²	68	81.1 Å²	81.1	32%	0.315	43%	0.434	S	S	.	.	H	α-helix	trans	-63.5	-44.8	176.6	-176.7	52.1	0	0	0	111.9	K673 S674 I675 V679 C680 M681 D687	K673-H677 WeakPolarHBondContact O-CB 3.36Å; K673-H677 PolarHBondContact O-N 3.13Å; S674-H677 PolarHBondContact O-N 3.42Å; I675-H677 VanDerWaalsContact C-N 3.33Å; I675-H677 PolarHBondContact O-N 2.98Å; H677-V679 PolarHBondContact O-N 2.81Å; H677-C680 PolarHBondContact O-N 3.06Å; H677-M681 WeakPolarHBondContact O-CG 3.06Å; H677-M681 PolarHBondContact O-N 2.94Å; H677-D687 IonicContact CE1-OD1 2.61Å; H677-D687 PolarHBondContact CE1-OD1 2.87Å; H677-D687 IonicContact ND1-OD1 3.45Å
678	M	84	Confident	85.1	Confident	58 Å²	58	84.9 Å²	84.9	29%	0.286	45%	0.449	S	S	.	.	H	α-helix	trans	-59.5	-44.3	171.8	-73.3	-164.2	-57.9	0	0	112.6	L649 L652 S674 I675 C680 M681 C682	L649-M678 HydrophobicContact CD2-SD 4.05Å; L652-M678 HydrophobicContact CD1-CE 4.07Å; L652-M678 HydrophobicContact CD2-CE 3.33Å; L652-M678 HydrophobicContact CD2-SD 3.33Å; L652-M678 WeakPolarHBondContact CD2-SD 3.38Å; L652-M678 HydrophobicContact CG-CE 4.33Å; S674-M678 PolarHBondContact O-N 2.95Å; S674-M678 VanDerWaalsContact O-N 3.1Å; I675-M678 HydrophobicContact CG1-CE 4.44Å; I675-M678 PolarHBondContact O-N 3.38Å; M678-C680 VanDerWaalsContact C-N 3.29Å; M678-C680 PolarHBondContact O-N 2.66Å; M678-M681 WeakPolarHBondContact O-CB 3.49Å; M678-M681 PolarHBondContact O-N 2.91Å; M678-M681 VanDerWaalsContact O-N 3.13Å; M678-C682 WeakPolarHBondContact O-CB 3.36Å; M678-C682 PolarHBondContact O-N 2.82Å; M678-C682 PolarHBondContact O-SG 2.8Å; M678-C682 VanDerWaalsContact O-SG 3.4Å
679	V	86.6	Confident	83.9	Confident	77 Å²	77	86.4 Å²	86.4	47%	0.467	45%	0.449	S	S	.	.	H	α-helix	trans	-61.8	-40.2	179.5	169	0	0	0	0	110.6	I675 H676 H677 C682 L683	I675-V679 HydrophobicContact CG2-CG2 4.33Å; I675-V679 WeakPolarHBondContact O-CG2 3.43Å; I675-V679 PolarHBondContact O-N 2.81Å; H676-V679 PolarHBondContact O-N 2.94Å; H677-V679 PolarHBondContact O-N 2.81Å; V679-C682 PolarHBondContact O-N 3.18Å; V679-L683 HydrophobicContact CG1-CD1 3.85Å; V679-L683 WeakPolarHBondContact O-CB 3.47Å; V679-L683 VanDerWaalsContact O-CG 3.24Å; V679-L683 WeakPolarHBondContact O-CG 3.32Å; V679-L683 PolarHBondContact O-N 3.45Å
680	C	86.6	Confident	82.6	Confident	23 Å²	23	83 Å²	83	16%	0.155	44%	0.437	C	S	.	.	H	α-helix	trans	-61.5	-45.4	171.4	-68.9	0	0	0	0	112.4	H676 H677 M678 C682 L683 D684 I685 I690	H676-C680 PolarHBondContact O-N 3.08Å; H676-C680 PolarHBondContact O-SG 3.1Å; H676-C680 VanDerWaalsContact O-SG 3.33Å; H677-C680 PolarHBondContact O-N 3.06Å; M678-C680 VanDerWaalsContact C-N 3.29Å; M678-C680 PolarHBondContact O-N 2.66Å; C680-C682 PolarHBondContact O-N 3Å; C680-L683 CarbonylContact O-C 3.56Å; C680-L683 PolarHBondContact O-N 2.9Å; C680-L683 VanDerWaalsContact O-N 3.14Å; C680-D684 PolarHBondContact O-N 2.73Å; C680-I685 HydrophobicContact CB-CB 3.99Å; C680-I685 HydrophobicContact CB-CG2 4.46Å; C680-I685 PolarHBondContact O-N 2.84Å; C680-I690 HydrophobicContact CB-CD1 3.44Å; C680-I690 VanDerWaalsContact CB-CD1 3.44Å; C680-I690 HydrophobicContact CB-CG1 4.14Å
681	M	83.4	Confident	81.3	Confident	88 Å²	88	85.1 Å²	85.1	43%	0.433	44%	0.442	S	S	.	.	H	α-helix	trans	-61.9	-40.2	176.6	-69.4	178.9	68.8	0	0	112.7	L645 H677 M678 L683 D684	L645-M681 HydrophobicContact CD1-CE 3.98Å; L645-M681 HydrophobicContact CD1-SD 4.09Å; L645-M681 HydrophobicContact CD2-CE 3.99Å; H677-M681 WeakPolarHBondContact O-CG 3.06Å; H677-M681 PolarHBondContact O-N 2.94Å; M678-M681 WeakPolarHBondContact O-CB 3.49Å; M678-M681 PolarHBondContact O-N 2.91Å; M678-M681 VanDerWaalsContact O-N 3.13Å; M681-L683 PolarHBondContact O-N 3.15Å; M681-D684 PolarHBondContact O-N 3.36Å
682	C	86.6	Confident	79.1	Confident	110 Å²	110	87.6 Å²	87.6	74%	0.743	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-5.9	176.8	-67.5	0	0	0	0	114.1	M678 V679 C680	M678-C682 WeakPolarHBondContact O-CB 3.36Å; M678-C682 PolarHBondContact O-N 2.82Å; M678-C682 PolarHBondContact O-SG 2.8Å; M678-C682 VanDerWaalsContact O-SG 3.4Å; V679-C682 PolarHBondContact O-N 3.18Å; C680-C682 PolarHBondContact O-N 3Å
683	L	91	Very high	76.8	Confident	113 Å²	113	93.5 Å²	93.5	59%	0.592	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	12.9	175	-66.3	174.2	0	0	0	111.9	V679 C680 M681 I685	V679-L683 HydrophobicContact CG1-CD1 3.85Å; V679-L683 WeakPolarHBondContact O-CB 3.47Å; V679-L683 VanDerWaalsContact O-CG 3.24Å; V679-L683 WeakPolarHBondContact O-CG 3.32Å; V679-L683 PolarHBondContact O-N 3.45Å; C680-L683 CarbonylContact O-C 3.56Å; C680-L683 PolarHBondContact O-N 2.9Å; C680-L683 VanDerWaalsContact O-N 3.14Å; M681-L683 PolarHBondContact O-N 3.15Å; L683-I685 HydrophobicContact CB-CD1 4.03Å; L683-I685 HydrophobicContact CB-CG1 3.92Å; L683-I685 HydrophobicContact CD1-CD1 4.3Å; L683-I685 PolarHBondContact O-N 2.69Å; L683-I685 VanDerWaalsContact O-N 3.09Å
684	D	86.5	Confident	74.4	Confident	150 Å²	150	96.6 Å²	96.6	80%	0.802	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	24	-176.9	-64.1	-55.8	0	0	0	114.6	C680 M681 P686	C680-D684 PolarHBondContact O-N 2.73Å; M681-D684 PolarHBondContact O-N 3.36Å; D684-P686 WeakPolarHBondContact O-CD 3.3Å
685	I	84.5	Confident	72.2	Confident	64 Å²	64	100.8 Å²	100.8	33%	0.328	53%	0.527	S	S	.	.			trans	-72.7	119.7	-179.1	-60.3	177.7	0	0	0	109.2	C680 L683 E689 I690	C680-I685 HydrophobicContact CB-CB 3.99Å; C680-I685 HydrophobicContact CB-CG2 4.46Å; C680-I685 PolarHBondContact O-N 2.84Å; L683-I685 HydrophobicContact CB-CD1 4.03Å; L683-I685 HydrophobicContact CB-CG1 3.92Å; L683-I685 HydrophobicContact CD1-CD1 4.3Å; L683-I685 PolarHBondContact O-N 2.69Å; L683-I685 VanDerWaalsContact O-N 3.09Å; I685-E689 HydrophobicContact CG2-CB 4.33Å; I685-I690 HydrophobicContact CG2-CG1 4.12Å
686	P	76.1	Confident	69.7	Low	69 Å²	69	102.6 Å²	102.6	45%	0.448	54%	0.543	S	S	.	.			trans	-62.8	140.7	-176	-24.3	34.8	0	0	0	113.1	D684 E688 E689 I690	D684-P686 WeakPolarHBondContact O-CD 3.3Å; P686-E688 PolarHBondContact O-N 3.5Å; P686-E689 HydrophobicContact CB-CG 4.41Å; P686-E689 HydrophobicContact CG-CG 4.44Å; P686-E689 PolarHBondContact O-N 3.29Å; P686-I690 PolarHBondContact O-N 2.96Å
687	D	71.9	Confident	67.2	Low	77 Å²	77	102.5 Å²	102.5	41%	0.412	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.6	-9.6	-179.9	-149.3	48	0	0	0	113.5	H677 K691	H677-D687 IonicContact CE1-OD1 2.61Å; H677-D687 PolarHBondContact CE1-OD1 2.87Å; H677-D687 IonicContact ND1-OD1 3.45Å; D687-K691 VanDerWaalsContact CG-NZ 3.28Å; D687-K691 VanDerWaalsContact O-CD 3.26Å; D687-K691 WeakPolarHBondContact O-CD 3.37Å; D687-K691 VanDerWaalsContact O-CE 3.23Å; D687-K691 WeakPolarHBondContact O-CE 3.41Å; D687-K691 WeakPolarHBondContact O-CG 3.13Å; D687-K691 PolarHBondContact O-NZ 3.08Å; D687-K691 IonicContact OD2-NZ 3.64Å; D687-K691 PolarHBondContact OD2-NZ 3.01Å
688	E	68.8	Low	64.8	Low	156 Å²	156	106.8 Å²	106.8	73%	0.729	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-40.7	170.5	-61.2	-172.2	164.5	0	0	112	P686 I690 K691 A692	P686-E688 PolarHBondContact O-N 3.5Å; E688-I690 VanDerWaalsContact C-N 3.3Å; E688-I690 PolarHBondContact O-N 2.8Å; E688-K691 PolarHBondContact O-N 2.97Å; E688-K691 VanDerWaalsContact O-N 3.13Å; E688-A692 VanDerWaalsContact O-CB 3.23Å; E688-A692 WeakPolarHBondContact O-CB 3.46Å; E688-A692 PolarHBondContact O-N 3.21Å
689	E	65.4	Low	62.4	Low	114 Å²	114	107.2 Å²	107.2	53%	0.533	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.4	-31.7	176.8	-63.7	-157.6	161.1	0	0	112.4	I685 P686 K691	I685-E689 HydrophobicContact CG2-CB 4.33Å; P686-E689 HydrophobicContact CB-CG 4.41Å; P686-E689 HydrophobicContact CG-CG 4.44Å; P686-E689 PolarHBondContact O-N 3.29Å; E689-K691 PolarHBondContact O-N 2.74Å
690	I	62.9	Low	59.8	Low	76 Å²	76	111.3 Å²	111.3	39%	0.39	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.2	-30.4	174.1	-54.1	175.2	0	0	0	111.2	C680 I685 P686 E688	C680-I690 HydrophobicContact CB-CD1 3.44Å; C680-I690 VanDerWaalsContact CB-CD1 3.44Å; C680-I690 HydrophobicContact CB-CG1 4.14Å; I685-I690 HydrophobicContact CG2-CG1 4.12Å; P686-I690 PolarHBondContact O-N 2.96Å; E688-I690 VanDerWaalsContact C-N 3.3Å; E688-I690 PolarHBondContact O-N 2.8Å
691	K	60.7	Low	57.2	Low	139 Å²	139	119.8 Å²	119.8	60%	0.604	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-30.2	-178.3	-64.1	169.7	-164.8	129.5	0	112.4	D687 E688 E689 K693	D687-K691 VanDerWaalsContact CG-NZ 3.28Å; D687-K691 VanDerWaalsContact O-CD 3.26Å; D687-K691 WeakPolarHBondContact O-CD 3.37Å; D687-K691 VanDerWaalsContact O-CE 3.23Å; D687-K691 WeakPolarHBondContact O-CE 3.41Å; D687-K691 WeakPolarHBondContact O-CG 3.13Å; D687-K691 PolarHBondContact O-NZ 3.08Å; D687-K691 IonicContact OD2-NZ 3.64Å; D687-K691 PolarHBondContact OD2-NZ 3.01Å; E688-K691 PolarHBondContact O-N 2.97Å; E688-K691 VanDerWaalsContact O-N 3.13Å; E689-K691 PolarHBondContact O-N 2.74Å; K691-K693 PolarHBondContact O-N 3.02Å
692	A	42.5	Very low	55.1	Low	71 Å²	71	124.5 Å²	124.5	59%	0.587	67%	0.674	S	S	*	*	S	Bend	trans	-93.6	63.1	-172.5	0	0	0	0	0	113.4	E688	E688-A692 VanDerWaalsContact O-CB 3.23Å; E688-A692 WeakPolarHBondContact O-CB 3.46Å; E688-A692 PolarHBondContact O-N 3.21Å
693	K	41.9	Very low	52.6	Low	165 Å²	165	128.7 Å²	128.7	72%	0.717	68%	0.683	S	S	*	*			trans	-163.4	63.3	165.3	-103.6	144	-166.2	167.1	0	112.8	K691 V695	K691-K693 PolarHBondContact O-N 3.02Å; K693-V695 PolarHBondContact O-N 2.74Å
694	E	37.3	Very low	50.1	Low	191 Å²	191	130 Å²	130	89%	0.893	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-66.8	118.6	148.6	-71.2	-168.1	152.3	0	0	107.5	P696	E694-P696 WeakPolarHBondContact O-CD 3.44Å
695	V	38.9	Very low	47.9	Very low	126 Å²	126	126.8 Å²	126.8	76%	0.764	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-71.2	122.6	179.1	178.8	0	0	0	0	107.9	K693 S697	K693-V695 PolarHBondContact O-N 2.74Å; V695-S697 PolarHBondContact O-N 2.92Å; V695-S697 VanDerWaalsContact O-N 3.07Å
696	P	35	Very low	45.6	Very low	101 Å²	101	129.8 Å²	129.8	66%	0.656	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-63.5	116.6	175.5	24.2	-30.8	0	0	0	109.1	E694 N698	E694-P696 WeakPolarHBondContact O-CD 3.44Å; P696-N698 VanDerWaalsContact C-N 3.28Å; P696-N698 PolarHBondContact O-N 3.4Å
697	S	36.8	Very low	43.9	Very low	117 Å²	117	130.8 Å²	130.8	82%	0.818	73%	0.727	S	S	*	*			trans	-72.1	80.2	-177.9	55	0	0	0	0	110.7	V695 G699	V695-S697 PolarHBondContact O-N 2.92Å; V695-S697 VanDerWaalsContact O-N 3.07Å; S697-G699 PolarHBondContact O-N 3.2Å
698	N	34.2	Very low	42.2	Very low	158 Å²	158	135.7 Å²	135.7	85%	0.845	75%	0.748	S	S	*	*			trans	-64.5	91.7	178.6	-93.5	-10.5	0	0	0	111.6	P696	P696-N698 VanDerWaalsContact C-N 3.28Å; P696-N698 PolarHBondContact O-N 3.4Å
699	G	32	Very low	40.8	Very low	67 Å²	67	135.2 Å²	135.2	69%	0.691	76%	0.755	S	S	*	*	S	Bend	trans	70.4	84.9	154.4	0	0	0	0	0	116.5	S697	S697-G699 PolarHBondContact O-N 3.2Å
700	L	33.3	Very low	39.5	Very low	163 Å²	163	134.9 Å²	134.9	85%	0.853	76%	0.761	S	S	*	*			trans	-152.3	37	150.9	-115.8	169.7	0	0	0	113	K702	L700-K702 PolarHBondContact O-N 2.92Å; L700-K702 VanDerWaalsContact O-N 3.14Å
701	E	32.4	Very low	38.2	Very low	201 Å²	201	138.8 Å²	138.8	94%	0.939	78%	0.782	S	S	*	*			trans	-67.5	109.1	164.1	-70.8	-175.1	152.3	0	0	109.3
702	K	38.7	Very low	37.2	Very low	186 Å²	186	139 Å²	139	81%	0.809	79%	0.79	S	S	*	*			trans	-126	130.3	156.5	-88.5	-166.3	171	-172.3	0	108.5	L700 V704	L700-K702 PolarHBondContact O-N 2.92Å; L700-K702 VanDerWaalsContact O-N 3.14Å; K702-V704 PolarHBondContact O-N 3.31Å
703	E	34.2	Very low	36.9	Very low	198 Å²	198	138.9 Å²	138.9	93%	0.925	80%	0.796	S	S	*	*			trans	-61	126.3	-178.1	-60.5	162.3	114.4	0	0	110.9
704	V	37.6	Very low	37	Very low	140 Å²	140	139.9 Å²	139.9	85%	0.848	81%	0.805	S	S	*	*			trans	-130.2	112.2	155.6	-176.2	0	0	0	0	105.7	K702	K702-V704 PolarHBondContact O-N 3.31Å
705	A	40.3	Very low	37.2	Very low	83 Å²	83	139.5 Å²	139.5	69%	0.686	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-65.6	150.3	-179.1	0	0	0	0	0	110.8	A707	A705-A707 PolarHBondContact O-N 3Å; A705-A707 VanDerWaalsContact O-N 3.14Å
706	P	37.6	Very low	37	Very low	127 Å²	127	143 Å²	143	83%	0.825	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-64.3	116.7	172.1	27.7	-33.3	0	0	0	109.1	E708	P706-E708 PolarHBondContact O-N 3.13Å
707	A	39.2	Very low	37.3	Very low	91 Å²	91	143.8 Å²	143.8	75%	0.752	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-68.7	127	167.1	0	0	0	0	0	108.6	A705 V709	A705-A707 PolarHBondContact O-N 3Å; A705-A707 VanDerWaalsContact O-N 3.14Å; A707-V709 PolarHBondContact O-N 2.99Å
708	E	35.8	Very low	37.3	Very low	180 Å²	180	149.5 Å²	149.5	84%	0.841	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-64.1	121	173.3	-65.2	178	128.7	0	0	108.8	P706 V710	P706-E708 PolarHBondContact O-N 3.13Å; E708-V710 PolarHBondContact O-N 3.32Å
709	V	40.3	Very low	37.4	Very low	146 Å²	146	149.1 Å²	149.1	89%	0.885	84%	0.835	S	S	*	*			trans	-76.5	95.4	171.7	-179.1	0	0	0	0	106.9	A707	A707-V709 PolarHBondContact O-N 2.99Å
710	V	38.4	Very low	37.7	Very low	107 Å²	107	153.4 Å²	153.4	65%	0.648	84%	0.843	S	S	*	*			trans	-66.7	132.3	174.5	179.6	0	0	0	0	109.1	E708 D712	E708-V710 PolarHBondContact O-N 3.32Å; V710-D712 PolarHBondContact O-N 3.42Å; V710-D712 VanDerWaalsContact O-N 3.16Å
711	D	35.7	Very low	38	Very low	157 Å²	157	152.8 Å²	152.8	84%	0.84	84%	0.842	S	S	*	*			trans	-75.9	89.6	172	-177.5	31.3	0	0	0	109.4
712	D	39.3	Very low	38.3	Very low	144 Å²	144	150 Å²	150	77%	0.77	84%	0.836	S	S	*	*			trans	-105.5	97	168.6	-103.2	-32.8	0	0	0	108.9	V710 M714	V710-D712 PolarHBondContact O-N 3.42Å; V710-D712 VanDerWaalsContact O-N 3.16Å; D712-M714 PolarHBondContact O-N 2.67Å
713	G	36.9	Very low	38.3	Very low	68 Å²	68	147.8 Å²	147.8	70%	0.701	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-71.1	124.2	170.2	0	0	0	0	0	110.7
714	M	43.4	Very low	38.5	Very low	187 Å²	187	144.4 Å²	144.4	92%	0.921	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-103.9	143.8	165.3	-80.2	-167.2	164.9	0	0	111	D712	D712-M714 PolarHBondContact O-N 2.67Å
715	E	41.6	Very low	38.6	Very low	182 Å²	182	144.7 Å²	144.7	85%	0.85	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-78.8	155.8	-162.6	-62.3	168.4	115.1	0	0	113.6	V717	E715-V717 PolarHBondContact O-N 2.67Å
716	E	35.5	Very low	38.5	Very low	199 Å²	199	149.5 Å²	149.5	93%	0.93	84%	0.842	S	S	*	*			trans	-70.5	112.4	168.1	-63.8	178.3	132.6	0	0	109.9
717	V	41.3	Very low	38.5	Very low	119 Å²	119	151.3 Å²	151.3	72%	0.721	84%	0.843	S	S	*	*			trans	-141	73.4	168.3	-168.2	0	0	0	0	110.8	E715	E715-V717 PolarHBondContact O-N 2.67Å
718	D	35.2	Very low	38.5	Very low	236 Å²	236	156.8 Å²	156.8	100%	1.262	85%	0.852	S	S	*	*			trans	167.2	0	134.4	-88.6	-9.9	0	0	0	111.8

Retrieved 718 of 718 residues in 1666.7 ms (Link to these results)

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