A0A096N6D0_PAPAN Loading...

Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase

Specifically deglycosylates the denatured form of N-linked glycoproteins in the cytoplasm and assists their proteasome-mediated degradation. Cleaves the beta-aspartyl-glucosamine (GlcNAc) of the glycan and the amide side chain of Asn, converting Asn to Asp. Prefers proteins containing high-mannose over those bearing complex type oligosaccharides. Can recognize misfolded proteins in the endoplasmic reticulum that are exported to the cytosol to be destroyed and deglycosylate them, while it has no activity toward native proteins. Deglycosylation is a prerequisite for subsequent proteasome-mediated degradation of some, but not all, misfolded glycoproteins.

AlphaFold DB , UniProt , Accession A0A096N6D0, Species PAPAN (Papio anubis, Olive baboon), Gene NGLY1, Length 654 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.5	Very low	29.9	Very low	241 Å²	241	120.9 Å²	120.9	100%	1.187	86%	0.861	S	S	*	*				0	75.7	0	-66.4	-108	-85.9	0	0	106.6
2	A	31.7	Very low	31.2	Very low	105 Å²	105	117.5 Å²	117.5	87%	0.868	84%	0.836	S	S	*	*				71.9	94.9	78.6	0	0	0	0	0	112.7
3	A	24.9	Very low	33.9	Very low	105 Å²	105	114.8 Å²	114.8	87%	0.868	82%	0.824	S	S	*	*			trans	-162	118	142.6	0	0	0	0	0	108.4
4	A	27	Very low	37.5	Very low	101 Å²	101	107.2 Å²	107.2	84%	0.835	77%	0.77	S	S	*	*			trans	-77.2	136.4	-173.9	0	0	0	0	0	112
5	A	27.6	Very low	40.7	Very low	103 Å²	103	106 Å²	106	85%	0.851	76%	0.757	S	S	*	*			trans	-92.2	117.1	163.4	0	0	0	0	0	108.7	G7	A5-G7 PolarHBondContact O-N 3.11Å; A5-G7 VanDerWaalsContact O-N 3.11Å
6	L	29.5	Very low	43.7	Very low	185 Å²	185	99.6 Å²	99.6	97%	0.969	71%	0.712	S	S	*	*			trans	-62.2	101.5	174.3	-79.9	145.4	0	0	0	110.3
7	G	26.6	Very low	46.5	Very low	70 Å²	70	94.5 Å²	94.5	72%	0.722	67%	0.674	S	S	*	*			trans	-90.5	114.6	160.5	0	0	0	0	0	109.2	A5 S9	A5-G7 PolarHBondContact O-N 3.11Å; A5-G7 VanDerWaalsContact O-N 3.11Å; G7-S9 PolarHBondContact O-N 3.26Å; G7-S9 VanDerWaalsContact O-N 3.13Å
8	S	28.1	Very low	49	Very low	119 Å²	119	92 Å²	92	83%	0.832	66%	0.659	S	S	*	*			trans	-60.1	105.2	172.7	52.4	0	0	0	0	111.2	S10	S8-S10 PolarHBondContact O-N 3.13Å
9	S	29.5	Very low	51.1	Low	114 Å²	114	90.5 Å²	90.5	80%	0.797	64%	0.64	S	S	*	*			trans	-79.7	98.2	164.9	70.6	0	0	0	0	108.8	G7 G11	G7-S9 PolarHBondContact O-N 3.26Å; G7-S9 VanDerWaalsContact O-N 3.13Å; S9-G11 PolarHBondContact O-N 3.19Å; S9-G11 VanDerWaalsContact O-N 3.08Å
10	S	33.4	Very low	53.2	Low	115 Å²	115	86 Å²	86	80%	0.804	61%	0.608	S	S	*	*			trans	-56.5	111.7	160.9	41.5	0	0	0	0	108.1	S8 S12	S8-S10 PolarHBondContact O-N 3.13Å; S10-S12 PolarHBondContact O-N 3.08Å
11	G	39.8	Very low	55	Low	72 Å²	72	83.2 Å²	83.2	74%	0.742	59%	0.588	S	S	*	*			trans	-57.2	120.9	-177.7	0	0	0	0	0	110.5	S9 A13	S9-G11 PolarHBondContact O-N 3.19Å; S9-G11 VanDerWaalsContact O-N 3.08Å; G11-A13 PolarHBondContact O-N 2.69Å
12	S	45.6	Very low	57.9	Low	80 Å²	80	76.9 Å²	76.9	56%	0.559	56%	0.556	S	S	*	*			trans	-56.6	108.6	172	64	0	0	0	0	108.7	S10 S14 K100	S10-S12 PolarHBondContact O-N 3.08Å; S12-S14 PolarHBondContact O-N 3.37Å; S12-K100 PolarHBondContact OG-NZ 3.3Å
13	A	66.3	Low	60.8	Low	82 Å²	82	73.4 Å²	73.4	68%	0.678	52%	0.522	S	S	*	.			trans	-60	128	172.1	0	0	0	0	0	108.6	G11 P15	G11-A13 PolarHBondContact O-N 2.69Å; A13-P15 VanDerWaalsContact O-CD 3.31Å; A13-P15 WeakPolarHBondContact O-CD 3.49Å
14	S	84.9	Confident	64	Low	9 Å²	9	71.9 Å²	71.9	6%	0.063	50%	0.503	C	S	.	.			trans	-65.1	120.8	174.6	157.4	0	0	0	0	109.1	S12 A16 V17 A18 E77	S12-S14 PolarHBondContact O-N 3.37Å; S14-A16 VanDerWaalsContact C-N 3.28Å; S14-A16 PolarHBondContact O-N 2.89Å; S14-A16 PolarHBondContact OG-N 3.44Å; S14-V17 PolarHBondContact O-N 3.42Å; S14-V17 WeakPolarHBondContact OG-CG2 3.46Å; S14-V17 PolarHBondContact OG-N 3.1Å; S14-V17 VanDerWaalsContact OG-N 3.08Å; S14-A18 PolarHBondContact O-N 3.12Å; S14-E77 VanDerWaalsContact CB-OE2 3.23Å; S14-E77 WeakPolarHBondContact CB-OE2 3.38Å; S14-E77 VanDerWaalsContact OG-CD 3.32Å; S14-E77 PolarHBondContact OG-OE2 2.78Å
15	P	85.8	Confident	67	Low	89 Å²	89	70.4 Å²	70.4	58%	0.578	49%	0.485	S	S	*	.	H	α-helix	trans	-57.4	-41.2	175	-25	35	0	0	0	112.2	A13 V17 A18 E19 E77	A13-P15 VanDerWaalsContact O-CD 3.31Å; A13-P15 WeakPolarHBondContact O-CD 3.49Å; P15-V17 PolarHBondContact O-N 3.31Å; P15-A18 PolarHBondContact O-N 3.36Å; P15-E19 WeakPolarHBondContact O-CG 3.4Å; P15-E19 PolarHBondContact O-N 2.97Å; P15-E77 WeakPolarHBondContact CD-OE1 3.37Å
16	A	88.1	Confident	69.9	Low	4 Å²	4	71.6 Å²	71.6	3%	0.033	47%	0.473	C	S	.	.	H	α-helix	trans	-62.7	-42	177.5	0	0	0	0	0	112.9	S14 E19 L20 E73 C74 E77	S14-A16 VanDerWaalsContact C-N 3.28Å; S14-A16 PolarHBondContact O-N 2.89Å; S14-A16 PolarHBondContact OG-N 3.44Å; A16-E19 PolarHBondContact O-N 2.93Å; A16-L20 WeakPolarHBondContact O-CB 3.12Å; A16-L20 PolarHBondContact O-N 2.92Å; A16-E73 HydrophobicContact CB-CB 3.66Å; A16-C74 VanDerWaalsContact C-SG 3.58Å; A16-C74 HydrophobicContact CB-CB 4.47Å; A16-E77 VanDerWaalsContact CB-CD 3.47Å; A16-E77 HydrophobicContact CB-CG 4.01Å; A16-E77 WeakPolarHBondContact CB-OE1 3.49Å; A16-E77 PolarHBondContact N-OE1 3.26Å
17	V	91.9	Very high	72.8	Confident	13 Å²	13	65.5 Å²	65.5	8%	0.079	44%	0.443	C	S	.	.	H	α-helix	trans	-66.9	-38.8	176.3	177.1	0	0	0	0	110.7	S14 P15 E19 L20 C21 I101 L104 I105	S14-V17 PolarHBondContact O-N 3.42Å; S14-V17 WeakPolarHBondContact OG-CG2 3.46Å; S14-V17 PolarHBondContact OG-N 3.1Å; S14-V17 VanDerWaalsContact OG-N 3.08Å; P15-V17 PolarHBondContact O-N 3.31Å; V17-E19 VanDerWaalsContact C-N 3.33Å; V17-E19 PolarHBondContact O-N 3.31Å; V17-L20 WeakPolarHBondContact O-CB 3.29Å; V17-L20 PolarHBondContact O-N 3.32Å; V17-C21 PolarHBondContact O-N 2.99Å; V17-C21 PolarHBondContact O-SG 2.95Å; V17-I101 HydrophobicContact CG2-CG2 4.02Å; V17-L104 HydrophobicContact CG1-CB 4.36Å; V17-L104 HydrophobicContact CG2-CB 4.27Å; V17-I105 HydrophobicContact CG1-CG1 4.37Å; V17-I105 HydrophobicContact CG2-CD1 4.38Å; V17-I105 HydrophobicContact CG2-CG1 3.79Å
18	A	90.5	Very high	76.1	Confident	49 Å²	49	62.1 Å²	62.1	41%	0.405	41%	0.408	S	S	.	.	H	α-helix	trans	-62.6	-39.2	175.8	0	0	0	0	0	112.5	S14 P15 C21	S14-A18 PolarHBondContact O-N 3.12Å; P15-A18 PolarHBondContact O-N 3.36Å; A18-C21 WeakPolarHBondContact O-CB 3.24Å; A18-C21 PolarHBondContact O-N 3.07Å
19	E	88.8	Confident	79.2	Confident	64 Å²	64	58.3 Å²	58.3	30%	0.299	38%	0.379	S	S	.	.	H	α-helix	trans	-67.5	-41.8	173.6	-71.4	-70.6	122.2	0	0	111.7	P15 A16 V17 C21 Q22 R69	P15-E19 WeakPolarHBondContact O-CG 3.4Å; P15-E19 PolarHBondContact O-N 2.97Å; A16-E19 PolarHBondContact O-N 2.93Å; V17-E19 VanDerWaalsContact C-N 3.33Å; V17-E19 PolarHBondContact O-N 3.31Å; E19-C21 VanDerWaalsContact C-N 3.26Å; E19-C21 PolarHBondContact O-N 3.46Å; E19-Q22 WeakPolarHBondContact O-CB 3.26Å; E19-Q22 PolarHBondContact O-N 3.29Å; E19-Q22 VanDerWaalsContact O-N 3.13Å; E19-Q22 PolarHBondContact OE1-NE2 3.05Å; E19-R69 VanDerWaalsContact CD-NH2 3.32Å; E19-R69 IonicContact OE1-NH2 2.6Å; E19-R69 PolarHBondContact OE1-NH2 3.44Å; E19-R69 VanDerWaalsContact OE1-NH2 3.16Å; E19-R69 IonicContact OE2-CZ 2.87Å; E19-R69 IonicContact OE2-NE 3.89Å; E19-R69 PolarHBondContact OE2-NE 2.92Å; E19-R69 IonicContact OE2-NH2 3.77Å; E19-R69 PolarHBondContact OE2-NH2 2.71Å
20	L	93	Very high	82.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-58.1	-40.6	174.2	-175.2	66.3	0	0	0	111.3	A16 V17 Q22 N23 F28 A31 L35 V68 R69 A71 I105	A16-L20 WeakPolarHBondContact O-CB 3.12Å; A16-L20 PolarHBondContact O-N 2.92Å; V17-L20 WeakPolarHBondContact O-CB 3.29Å; V17-L20 PolarHBondContact O-N 3.32Å; L20-Q22 PolarHBondContact O-N 3.46Å; L20-N23 PolarHBondContact O-N 2.71Å; L20-N23 PolarHBondContact O-ND2 2.94Å; L20-F28 HydrophobicContact CD2-CD2 4.43Å; L20-F28 HydrophobicContact CD2-CE2 4.06Å; L20-F28 HydrophobicContact CG-CD2 3.9Å; L20-F28 HydrophobicContact CG-CE2 3.94Å; L20-F28 WeakPolarHBondContact O-CD2 3.47Å; L20-A31 HydrophobicContact CD1-CB 4.26Å; L20-L35 HydrophobicContact CD1-CD1 4.36Å; L20-L35 HydrophobicContact CD2-CD1 3.67Å; L20-V68 HydrophobicContact CD1-CG1 3.95Å; L20-R69 WeakPolarHBondContact CA-O 3.39Å; L20-A71 HydrophobicContact CD1-CB 3.98Å; L20-I105 HydrophobicContact CD2-CD1 4.32Å; L20-I105 HydrophobicContact CD2-CG1 4.28Å
21	C	91.9	Very high	85	Confident	27 Å²	27	51.7 Å²	51.7	18%	0.182	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.5	178.8	-70.3	0	0	0	0	114.8	V17 A18 E19 N23 E108 R112	V17-C21 PolarHBondContact O-N 2.99Å; V17-C21 PolarHBondContact O-SG 2.95Å; A18-C21 WeakPolarHBondContact O-CB 3.24Å; A18-C21 PolarHBondContact O-N 3.07Å; E19-C21 VanDerWaalsContact C-N 3.26Å; E19-C21 PolarHBondContact O-N 3.46Å; C21-N23 VanDerWaalsContact C-N 3.28Å; C21-N23 PolarHBondContact O-N 3.36Å; C21-E108 VanDerWaalsContact SG-CG 3.56Å; C21-R112 PolarHBondContact O-NH1 2.96Å; C21-R112 PolarHBondContact O-NH2 3.25Å
22	Q	90.3	Very high	87.7	Confident	108 Å²	108	48.2 Å²	48.2	51%	0.505	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-10.8	179.8	-67.7	172.9	41.9	0	0	113.3	E19 L20	E19-Q22 WeakPolarHBondContact O-CB 3.26Å; E19-Q22 PolarHBondContact O-N 3.29Å; E19-Q22 VanDerWaalsContact O-N 3.13Å; E19-Q22 PolarHBondContact OE1-NE2 3.05Å; L20-Q22 PolarHBondContact O-N 3.46Å
23	N	92.9	Very high	90	Very high	32 Å²	32	49.5 Å²	49.5	17%	0.171	28%	0.282	C	S	.	.	S	Bend	trans	-72.6	162.3	176	-64.3	-83	0	0	0	111.8	L20 C21 T27 R69	L20-N23 PolarHBondContact O-N 2.71Å; L20-N23 PolarHBondContact O-ND2 2.94Å; C21-N23 VanDerWaalsContact C-N 3.28Å; C21-N23 PolarHBondContact O-N 3.36Å; N23-T27 HydrophobicContact CB-CG2 4.14Å; N23-R69 PolarHBondContact ND2-O 2.77Å
24	T	92.6	Very high	91.4	Very high	74 Å²	74	46.6 Å²	46.6	45%	0.454	26%	0.255	S	S	.	.			trans	-57.6	152.5	175.9	74	0	0	0	0	111.1	E26 T27 F28	T24-E26 VanDerWaalsContact C-N 3.26Å; T24-E26 PolarHBondContact O-N 2.77Å; T24-E26 PolarHBondContact OG1-OE2 3.46Å; T24-T27 PolarHBondContact O-N 3.04Å; T24-T27 VanDerWaalsContact O-N 3.14Å; T24-T27 WeakPolarHBondContact OG1-CB 3.29Å; T24-T27 PolarHBondContact OG1-N 3.48Å; T24-T27 PolarHBondContact OG1-OG1 2.89Å; T24-F28 WeakPolarHBondContact O-CB 3.17Å; T24-F28 PolarHBondContact O-N 3.16Å
25	P	89.3	Confident	91.9	Very high	70 Å²	70	46.1 Å²	46.1	46%	0.455	25%	0.252	S	S	.	.	H	α-helix	trans	-51.6	-43.4	-178.8	-28.1	36	0	0	0	113.4	L29	P25-L29 WeakPolarHBondContact O-CB 3.2Å; P25-L29 WeakPolarHBondContact O-CG 3.43Å; P25-L29 PolarHBondContact O-N 2.97Å
26	E	89.7	Confident	92.4	Very high	128 Å²	128	43 Å²	43	60%	0.598	23%	0.23	S	C	*	.	H	α-helix	trans	-67.5	-45.2	-179.2	-56.7	70.8	-151.1	0	0	111.4	T24 L29 E30	T24-E26 VanDerWaalsContact C-N 3.26Å; T24-E26 PolarHBondContact O-N 2.77Å; T24-E26 PolarHBondContact OG1-OE2 3.46Å; E26-L29 PolarHBondContact O-N 3.23Å; E26-E30 PolarHBondContact O-N 3.41Å
27	T	89.9	Confident	92.7	Very high	56 Å²	56	45.6 Å²	45.6	34%	0.344	25%	0.246	S	C	.	.	H	α-helix	trans	-64.3	-44.7	179.2	-55.2	0	0	0	0	110.7	N23 T24 E30 A31 V68	N23-T27 HydrophobicContact CB-CG2 4.14Å; T24-T27 PolarHBondContact O-N 3.04Å; T24-T27 VanDerWaalsContact O-N 3.14Å; T24-T27 WeakPolarHBondContact OG1-CB 3.29Å; T24-T27 PolarHBondContact OG1-N 3.48Å; T24-T27 PolarHBondContact OG1-OG1 2.89Å; T27-E30 PolarHBondContact O-N 2.88Å; T27-A31 VanDerWaalsContact O-CB 3.31Å; T27-A31 WeakPolarHBondContact O-CB 3.31Å; T27-A31 PolarHBondContact O-N 3.38Å; T27-V68 HydrophobicContact CG2-CG1 4Å; T27-V68 HydrophobicContact CG2-CG2 3.77Å
28	F	95.3	Very high	92.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-45.9	174.7	173.3	-90.3	0	0	0	111.3	L20 T24 E30 A31 S32 E108 R109	L20-F28 HydrophobicContact CD2-CD2 4.43Å; L20-F28 HydrophobicContact CD2-CE2 4.06Å; L20-F28 HydrophobicContact CG-CD2 3.9Å; L20-F28 HydrophobicContact CG-CE2 3.94Å; L20-F28 WeakPolarHBondContact O-CD2 3.47Å; T24-F28 WeakPolarHBondContact O-CB 3.17Å; T24-F28 PolarHBondContact O-N 3.16Å; F28-E30 PolarHBondContact O-N 3.31Å; F28-A31 PolarHBondContact O-N 3.36Å; F28-S32 WeakPolarHBondContact O-CB 3.41Å; F28-S32 PolarHBondContact O-N 3.1Å; F28-S32 PolarHBondContact O-OG 3.33Å; F28-E108 HydrophobicContact CE1-CG 4.09Å; F28-E108 HydrophobicContact CE2-CG 4.04Å; F28-E108 HydrophobicContact CZ-CB 3.96Å; F28-E108 HydrophobicContact CZ-CG 3.45Å; F28-E108 VanDerWaalsContact CZ-CG 3.45Å; F28-R109 HydrophobicContact CE1-CB 4.2Å
29	L	93.5	Very high	92.9	Very high	39 Å²	39	44.3 Å²	44.3	20%	0.204	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-38.6	180	-72.9	173.7	0	0	0	111.8	P25 E26 S32 K33 R109 L113	P25-L29 WeakPolarHBondContact O-CB 3.2Å; P25-L29 WeakPolarHBondContact O-CG 3.43Å; P25-L29 PolarHBondContact O-N 2.97Å; E26-L29 PolarHBondContact O-N 3.23Å; L29-S32 WeakPolarHBondContact CA-OG 3.49Å; L29-S32 PolarHBondContact O-OG 3.44Å; L29-K33 WeakPolarHBondContact O-CB 3.49Å; L29-K33 PolarHBondContact O-N 3.16Å; L29-R109 VanDerWaalsContact CA-NH1 3.31Å; L29-R109 HydrophobicContact CD2-CG 4.01Å; L29-R109 PolarHBondContact O-NH1 3.04Å; L29-L113 HydrophobicContact CD1-CD2 4.09Å; L29-L113 HydrophobicContact CD2-CD2 3.96Å; L29-L113 HydrophobicContact CD2-CG 3.99Å
30	E	92.6	Very high	93.2	Very high	89 Å²	89	42.5 Å²	42.5	42%	0.416	22%	0.222	S	C	.	.	H	α-helix	trans	-73.1	-37	178.7	-78.2	-61.3	115.4	0	0	113.2	E26 T27 F28 R64	E26-E30 PolarHBondContact O-N 3.41Å; T27-E30 PolarHBondContact O-N 2.88Å; F28-E30 PolarHBondContact O-N 3.31Å; E30-R64 PolarHBondContact O-NH2 3.17Å; E30-R64 IonicContact OE2-CZ 3.24Å; E30-R64 IonicContact OE2-NE 2.68Å; E30-R64 IonicContact OE2-NH1 2.82Å; E30-R64 IonicContact OE2-NH2 3.02Å; E30-R64 PolarHBondContact OE2-NH2 3.49Å
31	A	92.4	Very high	93.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-73	-48.5	177.2	0	0	0	0	0	112	L20 T27 F28 K33 L34 L35 L65 V68	L20-A31 HydrophobicContact CD1-CB 4.26Å; T27-A31 VanDerWaalsContact O-CB 3.31Å; T27-A31 WeakPolarHBondContact O-CB 3.31Å; T27-A31 PolarHBondContact O-N 3.38Å; F28-A31 PolarHBondContact O-N 3.36Å; A31-K33 VanDerWaalsContact C-N 3.28Å; A31-K33 PolarHBondContact O-N 2.88Å; A31-L34 PolarHBondContact O-N 2.8Å; A31-L35 WeakPolarHBondContact O-CG 3.38Å; A31-L35 PolarHBondContact O-N 3.43Å; A31-L65 HydrophobicContact CB-CD2 3.87Å; A31-V68 HydrophobicContact CB-CB 4.35Å; A31-V68 HydrophobicContact CB-CG1 3.88Å; A31-V68 HydrophobicContact CB-CG2 4.26Å
32	S	95.9	Very high	93.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.8	-38.2	178.5	57.9	0	0	0	0	112.1	F28 L29 L34 L35 L36 R109	F28-S32 WeakPolarHBondContact O-CB 3.41Å; F28-S32 PolarHBondContact O-N 3.1Å; F28-S32 PolarHBondContact O-OG 3.33Å; L29-S32 WeakPolarHBondContact CA-OG 3.49Å; L29-S32 PolarHBondContact O-OG 3.44Å; S32-L34 VanDerWaalsContact C-N 3.3Å; S32-L34 PolarHBondContact O-N 3.27Å; S32-L35 PolarHBondContact O-N 3.04Å; S32-L36 WeakPolarHBondContact O-CB 3.45Å; S32-L36 WeakPolarHBondContact O-CG 3.32Å; S32-L36 PolarHBondContact O-N 3Å; S32-R109 PolarHBondContact OG-NH1 3.39Å
33	K	95.4	Very high	93.2	Very high	106 Å²	106	40.4 Å²	40.4	46%	0.461	21%	0.212	S	C	.	.	H	α-helix	trans	-57.7	-43.4	175.1	-178.2	179.3	178.7	-179.8	0	112	L29 A31 T37	L29-K33 WeakPolarHBondContact O-CB 3.49Å; L29-K33 PolarHBondContact O-N 3.16Å; A31-K33 VanDerWaalsContact C-N 3.28Å; A31-K33 PolarHBondContact O-N 2.88Å; K33-T37 WeakPolarHBondContact O-CB 3.19Å; K33-T37 PolarHBondContact O-N 3.47Å; K33-T37 PolarHBondContact O-OG1 2.93Å
34	L	94.3	Very high	93.1	Very high	21 Å²	21	47 Å²	47	11%	0.11	23%	0.234	C	C	.	.	H	α-helix	trans	-75.4	-39.6	-177.5	-170	55.6	0	0	0	111.7	A31 S32 T37 Y38 A60 R64 L65	A31-L34 PolarHBondContact O-N 2.8Å; S32-L34 VanDerWaalsContact C-N 3.3Å; S32-L34 PolarHBondContact O-N 3.27Å; L34-T37 WeakPolarHBondContact O-CB 3.36Å; L34-T37 PolarHBondContact O-N 3.24Å; L34-Y38 HydrophobicContact CD1-CE1 4.26Å; L34-Y38 HydrophobicContact CD1-CE2 4.03Å; L34-Y38 HydrophobicContact CD2-CE2 4.3Å; L34-Y38 HydrophobicContact CG-CD2 4.36Å; L34-Y38 HydrophobicContact CG-CE2 3.69Å; L34-Y38 WeakPolarHBondContact O-CD2 3.17Å; L34-Y38 PolarHBondContact O-N 3.22Å; L34-A60 HydrophobicContact CD2-CB 4.15Å; L34-A60 WeakPolarHBondContact CD2-O 3.23Å; L34-R64 HydrophobicContact CD2-CB 4.4Å; L34-L65 HydrophobicContact CB-CD1 4.33Å; L34-L65 HydrophobicContact CB-CD2 4.36Å; L34-L65 HydrophobicContact CB-CG 4.47Å; L34-L65 HydrophobicContact CD2-CD1 3.82Å; L34-L65 HydrophobicContact CD2-CG 3.92Å; L34-L65 HydrophobicContact CG-CD1 3.9Å; L34-L65 HydrophobicContact CG-CG 4.34Å
35	L	95.3	Very high	93	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-47.5	172.6	-69.2	171.5	0	0	0	112.1	L20 A31 S32 T37 Y38 A39 L65 A71 C74 L75 M78 I105	L20-L35 HydrophobicContact CD1-CD1 4.36Å; L20-L35 HydrophobicContact CD2-CD1 3.67Å; A31-L35 WeakPolarHBondContact O-CG 3.38Å; A31-L35 PolarHBondContact O-N 3.43Å; S32-L35 PolarHBondContact O-N 3.04Å; L35-T37 VanDerWaalsContact C-N 3.27Å; L35-T37 PolarHBondContact O-N 3.47Å; L35-Y38 PolarHBondContact O-N 2.92Å; L35-A39 PolarHBondContact O-N 3.29Å; L35-L65 HydrophobicContact CD1-CD2 4.29Å; L35-L65 HydrophobicContact CD2-CD1 4.07Å; L35-L65 HydrophobicContact CD2-CD2 3.97Å; L35-L65 HydrophobicContact CG-CD2 3.72Å; L35-A71 HydrophobicContact CD1-CB 4.36Å; L35-A71 WeakPolarHBondContact CD2-O 3.48Å; L35-C74 HydrophobicContact CD1-CB 4.08Å; L35-L75 HydrophobicContact CD2-CD1 4.11Å; L35-L75 HydrophobicContact CD2-CD2 3.67Å; L35-L75 HydrophobicContact CD2-CG 3.6Å; L35-M78 HydrophobicContact CB-CE 4.43Å; L35-I105 HydrophobicContact CB-CD1 4.35Å; L35-I105 HydrophobicContact CD1-CD1 4.15Å
36	L	96.4	Very high	92.7	Very high	23 Å²	23	46 Å²	46	12%	0.12	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-36.9	176.1	-69	173.9	0	0	0	111.5	S32 A39 D40 R102 I105 A106	S32-L36 WeakPolarHBondContact O-CB 3.45Å; S32-L36 WeakPolarHBondContact O-CG 3.32Å; S32-L36 PolarHBondContact O-N 3Å; L36-A39 PolarHBondContact O-N 3.18Å; L36-D40 WeakPolarHBondContact O-CB 3.31Å; L36-D40 VanDerWaalsContact O-CG 3.3Å; L36-D40 PolarHBondContact O-N 2.72Å; L36-R102 HydrophobicContact CD2-CG 3.81Å; L36-R102 VanDerWaalsContact CD2-O 3.31Å; L36-R102 WeakPolarHBondContact CD2-O 3.34Å; L36-I105 HydrophobicContact CD1-CG2 4.33Å; L36-I105 HydrophobicContact CD2-CB 4.15Å; L36-I105 HydrophobicContact CD2-CG2 3.99Å; L36-I105 HydrophobicContact CG-CG2 3.96Å; L36-A106 HydrophobicContact CD1-CB 4.46Å; L36-A106 HydrophobicContact CD2-CB 4.04Å
37	T	94.8	Very high	92.2	Very high	59 Å²	59	46.9 Å²	46.9	36%	0.362	23%	0.234	S	C	.	.	H	α-helix	trans	-63.5	-44	177.1	-59.8	0	0	0	0	111.6	K33 L34 L35 N41	K33-T37 WeakPolarHBondContact O-CB 3.19Å; K33-T37 PolarHBondContact O-N 3.47Å; K33-T37 PolarHBondContact O-OG1 2.93Å; L34-T37 WeakPolarHBondContact O-CB 3.36Å; L34-T37 PolarHBondContact O-N 3.24Å; L35-T37 VanDerWaalsContact C-N 3.27Å; L35-T37 PolarHBondContact O-N 3.47Å; T37-N41 VanDerWaalsContact O-CB 3.31Å; T37-N41 WeakPolarHBondContact O-CB 3.38Å; T37-N41 PolarHBondContact O-N 3.49Å; T37-N41 PolarHBondContact O-ND2 3.32Å; T37-N41 VanDerWaalsContact O-ND2 3.12Å
38	Y	93.5	Very high	92	Very high	35 Å²	35	47.5 Å²	47.5	14%	0.137	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-46.5	177.3	-65.8	-42.8	0	0	0	112.1	L34 L35 N41 I42 I54 F61 L65 L75	L34-Y38 HydrophobicContact CD1-CE1 4.26Å; L34-Y38 HydrophobicContact CD1-CE2 4.03Å; L34-Y38 HydrophobicContact CD2-CE2 4.3Å; L34-Y38 HydrophobicContact CG-CD2 4.36Å; L34-Y38 HydrophobicContact CG-CE2 3.69Å; L34-Y38 WeakPolarHBondContact O-CD2 3.17Å; L34-Y38 PolarHBondContact O-N 3.22Å; L35-Y38 PolarHBondContact O-N 2.92Å; Y38-N41 PolarHBondContact O-N 2.9Å; Y38-I42 PolarHBondContact O-N 3.25Å; Y38-I54 HydrophobicContact CD1-CD1 4.09Å; Y38-I54 HydrophobicContact CD1-CG1 4.18Å; Y38-I54 HydrophobicContact CD2-CD1 3.58Å; Y38-I54 HydrophobicContact CD2-CG1 4.43Å; Y38-I54 HydrophobicContact CE1-CD1 4.42Å; Y38-I54 HydrophobicContact CE1-CG1 4.27Å; Y38-I54 HydrophobicContact CE1-CG2 4.49Å; Y38-I54 HydrophobicContact CE2-CD1 3.91Å; Y38-I54 HydrophobicContact CE2-CG1 4.47Å; Y38-I54 HydrophobicContact CE2-CG2 4.21Å; Y38-I54 HydrophobicContact CG-CD1 3.68Å; Y38-I54 HydrophobicContact CG-CG1 4.29Å; Y38-F61 HydrophobicContact CE2-CD2 4.25Å; Y38-L65 HydrophobicContact CD2-CD1 4.17Å; Y38-L65 HydrophobicContact CE2-CD1 3.61Å; Y38-L75 HydrophobicContact CD2-CD2 4.45Å
39	A	94.1	Very high	91.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-47.3	177.8	0	0	0	0	0	112	L35 L36 N41 I42 L43 M78 L98 R102	L35-A39 PolarHBondContact O-N 3.29Å; L36-A39 PolarHBondContact O-N 3.18Å; A39-N41 VanDerWaalsContact C-N 3.32Å; A39-N41 PolarHBondContact O-N 2.89Å; A39-I42 PolarHBondContact O-N 3.28Å; A39-L43 VanDerWaalsContact O-CG 3.29Å; A39-L43 WeakPolarHBondContact O-CG 3.38Å; A39-L43 PolarHBondContact O-N 3.38Å; A39-M78 HydrophobicContact CB-CE 4.34Å; A39-M78 HydrophobicContact CB-SD 4.13Å; A39-L98 HydrophobicContact CB-CD1 3.86Å; A39-L98 HydrophobicContact CB-CG 4.35Å; A39-R102 HydrophobicContact CB-CB 3.87Å; A39-R102 HydrophobicContact CB-CG 3.73Å
40	D	94	Very high	91	Very high	26 Å²	26	59 Å²	59	14%	0.139	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-38	179.1	-84.4	10.3	0	0	0	112.5	L36 I42 L43 R44 R102	L36-D40 WeakPolarHBondContact O-CB 3.31Å; L36-D40 VanDerWaalsContact O-CG 3.3Å; L36-D40 PolarHBondContact O-N 2.72Å; D40-I42 VanDerWaalsContact C-N 3.34Å; D40-L43 PolarHBondContact O-N 3.42Å; D40-R44 WeakPolarHBondContact O-CB 3.32Å; D40-R44 VanDerWaalsContact O-CG 3.24Å; D40-R44 WeakPolarHBondContact O-CG 3.25Å; D40-R44 PolarHBondContact O-N 3.02Å; D40-R44 IonicContact OD2-CZ 3.95Å; D40-R44 IonicContact OD2-NH2 2.89Å; D40-R44 PolarHBondContact OD2-NH2 3.12Å; D40-R102 IonicContact OD1-CZ 3.26Å; D40-R102 VanDerWaalsContact OD1-CZ 3.26Å; D40-R102 IonicContact OD1-NE 2.77Å; D40-R102 PolarHBondContact OD1-NE 3.31Å; D40-R102 IonicContact OD1-NH2 2.89Å; D40-R102 PolarHBondContact OD1-NH2 2.81Å; D40-R102 IonicContact OD2-NH2 3.68Å
41	N	93.3	Very high	90.8	Very high	43 Å²	43	58.2 Å²	58.2	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-39.4	178.8	-77.5	-22.9	0	0	0	111.8	T37 Y38 A39 N45 Y51	T37-N41 VanDerWaalsContact O-CB 3.31Å; T37-N41 WeakPolarHBondContact O-CB 3.38Å; T37-N41 PolarHBondContact O-N 3.49Å; T37-N41 PolarHBondContact O-ND2 3.32Å; T37-N41 VanDerWaalsContact O-ND2 3.12Å; Y38-N41 PolarHBondContact O-N 2.9Å; A39-N41 VanDerWaalsContact C-N 3.32Å; A39-N41 PolarHBondContact O-N 2.89Å; N41-N45 PolarHBondContact O-N 3.48Å; N41-N45 PolarHBondContact O-ND2 3.38Å; N41-Y51 HydrophobicContact CB-CD1 3.62Å; N41-Y51 HydrophobicContact CB-CE1 4.21Å; N41-Y51 HydrophobicContact CB-CG 3.92Å
42	I	92.3	Very high	90.7	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-69.5	-42.9	174.8	-65.3	171.7	0	0	0	110.6	Y38 A39 D40 R44 N45 P46 Y51 F80 F89 L98	Y38-I42 PolarHBondContact O-N 3.25Å; A39-I42 PolarHBondContact O-N 3.28Å; D40-I42 VanDerWaalsContact C-N 3.34Å; I42-R44 VanDerWaalsContact C-N 3.34Å; I42-R44 PolarHBondContact O-N 2.84Å; I42-N45 CarbonylContact O-C 3.59Å; I42-N45 VanDerWaalsContact O-C 3.25Å; I42-N45 PolarHBondContact O-N 3.06Å; I42-P46 WeakPolarHBondContact O-CA 3.43Å; I42-Y51 WeakPolarHBondContact CD1-O 3.14Å; I42-Y51 WeakPolarHBondContact CG1-O 3.33Å; I42-F80 HydrophobicContact CD1-CE1 4.06Å; I42-F80 HydrophobicContact CD1-CE2 4.06Å; I42-F80 HydrophobicContact CD1-CZ 3.37Å; I42-F89 HydrophobicContact CD1-CB 3.86Å; I42-F89 HydrophobicContact CD1-CD1 4.05Å; I42-F89 HydrophobicContact CD1-CG 3.91Å; I42-F89 HydrophobicContact CG2-CD1 3.84Å; I42-F89 HydrophobicContact CG2-CE1 3.91Å; I42-L98 HydrophobicContact CB-CD2 3.98Å; I42-L98 HydrophobicContact CG2-CD2 3.66Å
43	L	90.4	Very high	90.4	Very high	45 Å²	45	61.5 Å²	61.5	24%	0.236	30%	0.299	C	S	.	.	H	α-helix	trans	-64.7	-36.9	180	-70.7	165.2	0	0	0	112.7	A39 D40 V95 L98 R102	A39-L43 VanDerWaalsContact O-CG 3.29Å; A39-L43 WeakPolarHBondContact O-CG 3.38Å; A39-L43 PolarHBondContact O-N 3.38Å; D40-L43 PolarHBondContact O-N 3.42Å; L43-V95 HydrophobicContact CD2-CG1 3.57Å; L43-L98 HydrophobicContact CD2-CD2 4.16Å; L43-L98 HydrophobicContact CG-CD2 4.07Å; L43-R102 HydrophobicContact CD1-CG 4.45Å
44	R	90.9	Very high	90	Very high	171 Å²	171	56.7 Å²	56.7	65%	0.645	28%	0.278	S	S	*	.	H	α-helix	trans	-77.1	-33.3	177	-67.5	176.6	-144	-175.6	6.3	112.7	D40 I42	D40-R44 WeakPolarHBondContact O-CB 3.32Å; D40-R44 VanDerWaalsContact O-CG 3.24Å; D40-R44 WeakPolarHBondContact O-CG 3.25Å; D40-R44 PolarHBondContact O-N 3.02Å; D40-R44 IonicContact OD2-CZ 3.95Å; D40-R44 IonicContact OD2-NH2 2.89Å; D40-R44 PolarHBondContact OD2-NH2 3.12Å; I42-R44 VanDerWaalsContact C-N 3.34Å; I42-R44 PolarHBondContact O-N 2.84Å
45	N	89.3	Confident	89.4	Confident	68 Å²	68	63.5 Å²	63.5	36%	0.364	30%	0.302	S	S	.	.	S	Bend	trans	-130.1	65.9	-176.2	-54.5	-72.6	0	0	0	111.3	N41 I42 N47 D48 Y51	N41-N45 PolarHBondContact O-N 3.48Å; N41-N45 PolarHBondContact O-ND2 3.38Å; I42-N45 CarbonylContact O-C 3.59Å; I42-N45 VanDerWaalsContact O-C 3.25Å; I42-N45 PolarHBondContact O-N 3.06Å; N45-N47 PolarHBondContact O-N 3.06Å; N45-N47 VanDerWaalsContact O-N 3.12Å; N45-D48 HydrophobicContact CB-CB 4.04Å; N45-D48 PolarHBondContact O-N 2.91Å; N45-Y51 HydrophobicContact CB-CD2 3.81Å; N45-Y51 HydrophobicContact CB-CE2 4.05Å
46	P	83.4	Confident	88.6	Confident	54 Å²	54	65.8 Å²	65.8	35%	0.351	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.4	-169	23.5	-34.3	0	0	0	114.1	I42 R52	I42-P46 WeakPolarHBondContact O-CA 3.43Å; P46-R52 PolarHBondContact O-NH1 3.2Å
47	N	79.9	Confident	87.3	Confident	148 Å²	148	67.5 Å²	67.5	79%	0.791	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-5.2	-177.5	-64.1	-34.1	0	0	0	113.9	N45	N45-N47 PolarHBondContact O-N 3.06Å; N45-N47 VanDerWaalsContact O-N 3.12Å
48	D	84.8	Confident	86.6	Confident	68 Å²	68	68.2 Å²	68.2	36%	0.364	34%	0.339	S	S	.	.			trans	-86.7	113.9	-179.1	-175.1	-17.6	0	0	0	110.4	N45 K50 Y51	N45-D48 HydrophobicContact CB-CB 4.04Å; N45-D48 PolarHBondContact O-N 2.91Å; D48-K50 PolarHBondContact O-N 3.27Å; D48-K50 WeakPolarHBondContact OD1-CB 3.41Å; D48-K50 PolarHBondContact OD1-N 3.17Å; D48-Y51 HydrophobicContact CB-CD2 3.87Å; D48-Y51 HydrophobicContact CB-CE2 4.3Å; D48-Y51 PolarHBondContact O-N 2.93Å; D48-Y51 VanDerWaalsContact OD2-CE2 3.32Å; D48-Y51 WeakPolarHBondContact OD2-CE2 3.45Å
49	E	82.4	Confident	85.7	Confident	124 Å²	124	71.6 Å²	71.6	58%	0.579	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.3	-176.5	-62.2	-169.5	161.4	0	0	113	Y51 R52 K91	E49-Y51 VanDerWaalsContact C-N 3.29Å; E49-Y51 PolarHBondContact O-N 3.47Å; E49-R52 PolarHBondContact O-N 2.94Å; E49-K91 WeakPolarHBondContact OE1-CE 3.46Å; E49-K91 IonicContact OE1-NZ 2.72Å; E49-K91 PolarHBondContact OE1-NZ 3.34Å
50	K	86.1	Confident	84.8	Confident	156 Å²	156	73.1 Å²	73.1	68%	0.678	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-36.3	178.7	-177.3	-177.2	174.3	-176.8	0	112.4	D48	D48-K50 PolarHBondContact O-N 3.27Å; D48-K50 WeakPolarHBondContact OD1-CB 3.41Å; D48-K50 PolarHBondContact OD1-N 3.17Å
51	Y	88.4	Confident	84.2	Confident	73 Å²	73	72 Å²	72	29%	0.286	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-13.6	-177.8	-60.6	-63.3	0	0	0	113.2	N41 I42 N45 D48 E49 S53	N41-Y51 HydrophobicContact CB-CD1 3.62Å; N41-Y51 HydrophobicContact CB-CE1 4.21Å; N41-Y51 HydrophobicContact CB-CG 3.92Å; I42-Y51 WeakPolarHBondContact CD1-O 3.14Å; I42-Y51 WeakPolarHBondContact CG1-O 3.33Å; N45-Y51 HydrophobicContact CB-CD2 3.81Å; N45-Y51 HydrophobicContact CB-CE2 4.05Å; D48-Y51 HydrophobicContact CB-CD2 3.87Å; D48-Y51 HydrophobicContact CB-CE2 4.3Å; D48-Y51 PolarHBondContact O-N 2.93Å; D48-Y51 VanDerWaalsContact OD2-CE2 3.32Å; D48-Y51 WeakPolarHBondContact OD2-CE2 3.45Å; E49-Y51 VanDerWaalsContact C-N 3.29Å; E49-Y51 PolarHBondContact O-N 3.47Å; Y51-S53 VanDerWaalsContact C-N 3.29Å
52	R	90.8	Very high	83.5	Confident	22 Å²	22	72 Å²	72	8%	0.083	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	8.6	177.9	-58.5	-175.9	80.9	118.2	7.4	113.1	P46 E49 I88 F89 P90 K91	P46-R52 PolarHBondContact O-NH1 3.2Å; E49-R52 PolarHBondContact O-N 2.94Å; R52-I88 CarbonylContact O-C 3.25Å; R52-I88 WeakPolarHBondContact O-CA 3.32Å; R52-F89 HydrophobicContact CB-CB 4.21Å; R52-F89 PolarHBondContact NE-O 3.29Å; R52-F89 VanDerWaalsContact NH2-CE1 3.31Å; R52-F89 PolarHBondContact NH2-O 2.9Å; R52-F89 PolarHBondContact O-N 3.3Å; R52-P90 VanDerWaalsContact NH2-C 3.33Å; R52-P90 PolarHBondContact NH2-O 3.25Å; R52-K91 VanDerWaalsContact NH2-CA 3.32Å
53	S	88.8	Confident	83	Confident	47 Å²	47	76 Å²	76	33%	0.329	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.4	178.3	-177.8	0	0	0	0	110.9	Y51 H86 L87	Y51-S53 VanDerWaalsContact C-N 3.29Å; S53-H86 PolarHBondContact OG-CD2 3.27Å; S53-H86 VanDerWaalsContact OG-CD2 3.31Å; S53-L87 CarbonylContact C-O 3.54Å; S53-L87 WeakPolarHBondContact CA-O 3.43Å
54	I	86.3	Confident	82.7	Confident	6 Å²	6	77.5 Å²	77.5	3%	0.031	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.7	176.5	-55.8	168.2	0	0	0	107.9	Y38 I56 F61 L75 F80 H86 L87	Y38-I54 HydrophobicContact CD1-CD1 4.09Å; Y38-I54 HydrophobicContact CD1-CG1 4.18Å; Y38-I54 HydrophobicContact CD2-CD1 3.58Å; Y38-I54 HydrophobicContact CD2-CG1 4.43Å; Y38-I54 HydrophobicContact CE1-CD1 4.42Å; Y38-I54 HydrophobicContact CE1-CG1 4.27Å; Y38-I54 HydrophobicContact CE1-CG2 4.49Å; Y38-I54 HydrophobicContact CE2-CD1 3.91Å; Y38-I54 HydrophobicContact CE2-CG1 4.47Å; Y38-I54 HydrophobicContact CE2-CG2 4.21Å; Y38-I54 HydrophobicContact CG-CD1 3.68Å; Y38-I54 HydrophobicContact CG-CG1 4.29Å; I54-I56 PolarHBondContact O-N 2.84Å; I54-F61 HydrophobicContact CG2-CB 4.31Å; I54-F61 HydrophobicContact CG2-CD2 3.41Å; I54-F61 VanDerWaalsContact CG2-CD2 3.41Å; I54-F61 HydrophobicContact CG2-CE2 3.89Å; I54-F61 HydrophobicContact CG2-CG 3.93Å; I54-L75 HydrophobicContact CD1-CD1 4.3Å; I54-L75 HydrophobicContact CD1-CD2 4.19Å; I54-F80 HydrophobicContact CD1-CD1 4.07Å; I54-F80 HydrophobicContact CD1-CE1 3.42Å; I54-F80 VanDerWaalsContact CD1-CE1 3.42Å; I54-F80 HydrophobicContact CD1-CZ 3.71Å; I54-F80 HydrophobicContact CG1-CE1 3.88Å; I54-F80 HydrophobicContact CG1-CZ 4.48Å; I54-H86 CarbonylContact O-C 3.52Å; I54-H86 VanDerWaalsContact O-CA 3.23Å; I54-H86 WeakPolarHBondContact O-CA 3.43Å; I54-L87 HydrophobicContact CB-CB 4.31Å; I54-L87 PolarHBondContact N-O 3.37Å; I54-L87 PolarHBondContact O-N 2.65Å
55	R	83.1	Confident	82.4	Confident	163 Å²	163	69.3 Å²	69.3	62%	0.615	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	123.4	177.3	-171.2	172.9	180	-174	0.6	110.5	G57 N58 H86	R55-G57 PolarHBondContact O-N 3.42Å; R55-N58 WeakPolarHBondContact O-CB 3.36Å; R55-N58 PolarHBondContact O-N 3.41Å; R55-H86 VanDerWaalsContact CA-CD2 3.49Å; R55-H86 WeakPolarHBondContact CA-CD2 3.18Å
56	I	78.7	Confident	81.9	Confident	48 Å²	48	70.7 Å²	70.7	25%	0.246	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-32.4	-176.6	-63.4	170.3	0	0	0	111.4	I54 N58 F61 T85 L87	I54-I56 PolarHBondContact O-N 2.84Å; I56-N58 PolarHBondContact O-N 3.47Å; I56-F61 HydrophobicContact CB-CE1 4.33Å; I56-F61 HydrophobicContact CG1-CE1 4.22Å; I56-F61 HydrophobicContact CG2-CD1 4.45Å; I56-F61 HydrophobicContact CG2-CE1 4.14Å; I56-T85 PolarHBondContact N-O 3.05Å; I56-L87 HydrophobicContact CG1-CG 4.48Å
57	G	68	Low	82	Confident	59 Å²	59	72.6 Å²	72.6	61%	0.608	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-1.3	174.6	0	0	0	0	0	115.5	R55 T59	R55-G57 PolarHBondContact O-N 3.42Å; G57-T59 PolarHBondContact O-N 3.48Å
58	N	80.6	Confident	82.5	Confident	74 Å²	74	66.1 Å²	66.1	40%	0.396	36%	0.355	S	S	.	.			trans	-65.5	127.6	175.4	179.3	-70.9	0	0	0	110.1	R55 I56 A60 F61 S62	R55-N58 WeakPolarHBondContact O-CB 3.36Å; R55-N58 PolarHBondContact O-N 3.41Å; I56-N58 PolarHBondContact O-N 3.47Å; N58-A60 VanDerWaalsContact C-N 3.28Å; N58-A60 PolarHBondContact O-N 3.19Å; N58-A60 WeakPolarHBondContact OD1-CA 3.34Å; N58-A60 WeakPolarHBondContact OD1-CB 3.37Å; N58-A60 PolarHBondContact OD1-N 2.98Å; N58-F61 HydrophobicContact CB-CB 4.13Å; N58-F61 WeakPolarHBondContact O-CB 3.31Å; N58-F61 PolarHBondContact O-N 2.95Å; N58-F61 PolarHBondContact OD1-N 3.08Å; N58-S62 PolarHBondContact O-N 3.09Å; N58-S62 PolarHBondContact O-OG 2.5Å
59	T	73.6	Confident	82.6	Confident	106 Å²	106	69.2 Å²	69.2	65%	0.65	36%	0.361	S	S	*	.	H	α-helix	trans	-55.7	-38.6	-176	-48.9	0	0	0	0	113.3	G57 S62 T63	G57-T59 PolarHBondContact O-N 3.48Å; T59-S62 PolarHBondContact O-OG 3.28Å; T59-T63 HydrophobicContact CG2-CG2 4.29Å; T59-T63 WeakPolarHBondContact O-CB 3.15Å; T59-T63 WeakPolarHBondContact O-CG2 3.5Å; T59-T63 PolarHBondContact O-N 3.48Å; T59-T63 VanDerWaalsContact O-N 3.15Å; T59-T63 PolarHBondContact O-OG1 2.98Å
60	A	75.2	Confident	82.9	Confident	33 Å²	33	63.4 Å²	63.4	27%	0.273	33%	0.334	S	S	.	.	H	α-helix	trans	-69.9	-37.4	178.4	0	0	0	0	0	111.7	L34 N58 R64	L34-A60 HydrophobicContact CD2-CB 4.15Å; L34-A60 WeakPolarHBondContact CD2-O 3.23Å; N58-A60 VanDerWaalsContact C-N 3.28Å; N58-A60 PolarHBondContact O-N 3.19Å; N58-A60 WeakPolarHBondContact OD1-CA 3.34Å; N58-A60 WeakPolarHBondContact OD1-CB 3.37Å; N58-A60 PolarHBondContact OD1-N 2.98Å; A60-R64 VanDerWaalsContact O-CB 3.22Å; A60-R64 WeakPolarHBondContact O-CB 3.4Å; A60-R64 PolarHBondContact O-N 3.47Å
61	F	83.1	Confident	83.1	Confident	2 Å²	2	56 Å²	56	1%	0.009	30%	0.302	C	S	.	.	H	α-helix	trans	-69.3	-51.1	176	-178.2	-91.7	0	0	0	111.9	Y38 I54 I56 N58 T63 L65 L66 V72 L75 L87	Y38-F61 HydrophobicContact CE2-CD2 4.25Å; I54-F61 HydrophobicContact CG2-CB 4.31Å; I54-F61 HydrophobicContact CG2-CD2 3.41Å; I54-F61 VanDerWaalsContact CG2-CD2 3.41Å; I54-F61 HydrophobicContact CG2-CE2 3.89Å; I54-F61 HydrophobicContact CG2-CG 3.93Å; I56-F61 HydrophobicContact CB-CE1 4.33Å; I56-F61 HydrophobicContact CG1-CE1 4.22Å; I56-F61 HydrophobicContact CG2-CD1 4.45Å; I56-F61 HydrophobicContact CG2-CE1 4.14Å; N58-F61 HydrophobicContact CB-CB 4.13Å; N58-F61 WeakPolarHBondContact O-CB 3.31Å; N58-F61 PolarHBondContact O-N 2.95Å; N58-F61 PolarHBondContact OD1-N 3.08Å; F61-T63 VanDerWaalsContact C-N 3.34Å; F61-T63 PolarHBondContact O-N 3.02Å; F61-L65 HydrophobicContact CD2-CB 4.32Å; F61-L65 HydrophobicContact CD2-CD1 3.84Å; F61-L65 HydrophobicContact CE2-CB 4.4Å; F61-L65 HydrophobicContact CE2-CD1 4.15Å; F61-L65 PolarHBondContact O-N 3.42Å; F61-L66 HydrophobicContact CE1-CD1 4.28Å; F61-L66 PolarHBondContact O-N 3.47Å; F61-L66 VanDerWaalsContact O-N 3.1Å; F61-V72 HydrophobicContact CZ-CG2 4.46Å; F61-L75 HydrophobicContact CE2-CD1 3.64Å; F61-L75 HydrophobicContact CZ-CD1 4.38Å; F61-L87 HydrophobicContact CE2-CD1 3.81Å; F61-L87 HydrophobicContact CZ-CD1 3.53Å; F61-L87 HydrophobicContact CZ-CG 4.36Å
62	S	78.3	Confident	83.2	Confident	42 Å²	42	53.6 Å²	53.6	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-69.1	-28.7	-173.6	63	0	0	0	0	113.9	N58 T59 P67	N58-S62 PolarHBondContact O-N 3.09Å; N58-S62 PolarHBondContact O-OG 2.5Å; T59-S62 PolarHBondContact O-OG 3.28Å; S62-P67 WeakPolarHBondContact O-CD 3.16Å
63	T	80.2	Confident	83.2	Confident	86 Å²	86	57 Å²	57	53%	0.528	31%	0.312	S	S	.	.	H	α-helix	trans	-95.8	-26.1	-179.9	61.8	0	0	0	0	113.8	T59 F61 P67	T59-T63 HydrophobicContact CG2-CG2 4.29Å; T59-T63 WeakPolarHBondContact O-CB 3.15Å; T59-T63 WeakPolarHBondContact O-CG2 3.5Å; T59-T63 PolarHBondContact O-N 3.48Å; T59-T63 VanDerWaalsContact O-N 3.15Å; T59-T63 PolarHBondContact O-OG1 2.98Å; F61-T63 VanDerWaalsContact C-N 3.34Å; F61-T63 PolarHBondContact O-N 3.02Å; T63-P67 VanDerWaalsContact O-CG 3.28Å; T63-P67 WeakPolarHBondContact O-CG 3.22Å
64	R	85	Confident	83.4	Confident	77 Å²	77	54.8 Å²	54.8	29%	0.291	30%	0.297	S	S	.	.	H	α-helix	trans	-116.2	-12.4	-171	-55.5	167.8	50.6	166.4	0	115.5	E30 L34 A60 V68	E30-R64 PolarHBondContact O-NH2 3.17Å; E30-R64 IonicContact OE2-CZ 3.24Å; E30-R64 IonicContact OE2-NE 2.68Å; E30-R64 IonicContact OE2-NH1 2.82Å; E30-R64 IonicContact OE2-NH2 3.02Å; E30-R64 PolarHBondContact OE2-NH2 3.49Å; L34-R64 HydrophobicContact CD2-CB 4.4Å; A60-R64 VanDerWaalsContact O-CB 3.22Å; A60-R64 WeakPolarHBondContact O-CB 3.4Å; A60-R64 PolarHBondContact O-N 3.47Å; R64-V68 VanDerWaalsContact O-CG2 3.23Å; R64-V68 WeakPolarHBondContact O-CG2 3.35Å
65	L	84.1	Confident	83.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-46	175.8	-66	177.2	0	0	0	112.3	A31 L34 L35 Y38 F61 P67 V68 A71	A31-L65 HydrophobicContact CB-CD2 3.87Å; L34-L65 HydrophobicContact CB-CD1 4.33Å; L34-L65 HydrophobicContact CB-CD2 4.36Å; L34-L65 HydrophobicContact CB-CG 4.47Å; L34-L65 HydrophobicContact CD2-CD1 3.82Å; L34-L65 HydrophobicContact CD2-CG 3.92Å; L34-L65 HydrophobicContact CG-CD1 3.9Å; L34-L65 HydrophobicContact CG-CG 4.34Å; L35-L65 HydrophobicContact CD1-CD2 4.29Å; L35-L65 HydrophobicContact CD2-CD1 4.07Å; L35-L65 HydrophobicContact CD2-CD2 3.97Å; L35-L65 HydrophobicContact CG-CD2 3.72Å; Y38-L65 HydrophobicContact CD2-CD1 4.17Å; Y38-L65 HydrophobicContact CE2-CD1 3.61Å; F61-L65 HydrophobicContact CD2-CB 4.32Å; F61-L65 HydrophobicContact CD2-CD1 3.84Å; F61-L65 HydrophobicContact CE2-CB 4.4Å; F61-L65 HydrophobicContact CE2-CD1 4.15Å; F61-L65 PolarHBondContact O-N 3.42Å; L65-P67 VanDerWaalsContact C-CD 3.47Å; L65-V68 PolarHBondContact O-N 3.3Å; L65-A71 HydrophobicContact CB-CB 4.35Å; L65-A71 HydrophobicContact CD2-CB 3.99Å; L65-A71 WeakPolarHBondContact O-CB 3.44Å
66	L	79.8	Confident	84.1	Confident	96 Å²	96	50.8 Å²	50.8	50%	0.503	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-38.9	-178	-163.3	67.6	0	0	0	114.8	F61 V68 V72	F61-L66 HydrophobicContact CE1-CD1 4.28Å; F61-L66 PolarHBondContact O-N 3.47Å; F61-L66 VanDerWaalsContact O-N 3.1Å; L66-V68 VanDerWaalsContact C-N 3.31Å; L66-V72 HydrophobicContact CD1-CG2 4.1Å
67	P	84.8	Confident	84.7	Confident	94 Å²	94	51.1 Å²	51.1	61%	0.61	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-2.8	177	34	-34.7	0	0	0	113.5	S62 T63 L65	S62-P67 WeakPolarHBondContact O-CD 3.16Å; T63-P67 VanDerWaalsContact O-CG 3.28Å; T63-P67 WeakPolarHBondContact O-CG 3.22Å; L65-P67 VanDerWaalsContact C-CD 3.47Å
68	V	89.6	Confident	85.9	Confident	12 Å²	12	48.3 Å²	48.3	7%	0.073	26%	0.255	C	S	.	.	S	Bend	trans	-94.5	119.1	-174.2	-178.7	0	0	0	0	109.6	L20 T27 A31 R64 L65 L66 G70 A71	L20-V68 HydrophobicContact CD1-CG1 3.95Å; T27-V68 HydrophobicContact CG2-CG1 4Å; T27-V68 HydrophobicContact CG2-CG2 3.77Å; A31-V68 HydrophobicContact CB-CB 4.35Å; A31-V68 HydrophobicContact CB-CG1 3.88Å; A31-V68 HydrophobicContact CB-CG2 4.26Å; R64-V68 VanDerWaalsContact O-CG2 3.23Å; R64-V68 WeakPolarHBondContact O-CG2 3.35Å; L65-V68 PolarHBondContact O-N 3.3Å; L66-V68 VanDerWaalsContact C-N 3.31Å; V68-G70 PolarHBondContact O-N 3.1Å; V68-A71 HydrophobicContact CB-CB 3.84Å; V68-A71 HydrophobicContact CG1-CB 4.03Å; V68-A71 VanDerWaalsContact O-CB 3.3Å; V68-A71 WeakPolarHBondContact O-CB 3.31Å; V68-A71 PolarHBondContact O-N 2.82Å; V68-A71 VanDerWaalsContact O-N 3.12Å
69	R	87.6	Confident	86.3	Confident	133 Å²	133	45.8 Å²	45.8	50%	0.502	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	127.6	-179.5	-175.5	174.8	176.1	-158.6	-10.9	110.6	E19 L20 N23 A71	E19-R69 VanDerWaalsContact CD-NH2 3.32Å; E19-R69 IonicContact OE1-NH2 2.6Å; E19-R69 PolarHBondContact OE1-NH2 3.44Å; E19-R69 VanDerWaalsContact OE1-NH2 3.16Å; E19-R69 IonicContact OE2-CZ 2.87Å; E19-R69 IonicContact OE2-NE 3.89Å; E19-R69 PolarHBondContact OE2-NE 2.92Å; E19-R69 IonicContact OE2-NH2 3.77Å; E19-R69 PolarHBondContact OE2-NH2 2.71Å; L20-R69 WeakPolarHBondContact CA-O 3.39Å; N23-R69 PolarHBondContact ND2-O 2.77Å; R69-A71 VanDerWaalsContact C-N 3.29Å; R69-A71 PolarHBondContact O-N 3.08Å
70	G	89	Confident	87.2	Confident	2 Å²	2	41 Å²	41	2%	0.021	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-6.9	178.8	0	0	0	0	0	115.2	V68 E73 C74	V68-G70 PolarHBondContact O-N 3.1Å; G70-E73 WeakPolarHBondContact CA-OE2 3.47Å; G70-E73 PolarHBondContact N-OE2 2.93Å; G70-C74 PolarHBondContact O-N 3.24Å; G70-C74 PolarHBondContact O-SG 2.95Å
71	A	90.7	Very high	87.7	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-77.4	-38.3	-174	0	0	0	0	0	113.6	L20 L35 L65 V68 R69 E73	L20-A71 HydrophobicContact CD1-CB 3.98Å; L35-A71 HydrophobicContact CD1-CB 4.36Å; L35-A71 WeakPolarHBondContact CD2-O 3.48Å; L65-A71 HydrophobicContact CB-CB 4.35Å; L65-A71 HydrophobicContact CD2-CB 3.99Å; L65-A71 WeakPolarHBondContact O-CB 3.44Å; V68-A71 HydrophobicContact CB-CB 3.84Å; V68-A71 HydrophobicContact CG1-CB 4.03Å; V68-A71 VanDerWaalsContact O-CB 3.3Å; V68-A71 WeakPolarHBondContact O-CB 3.31Å; V68-A71 PolarHBondContact O-N 2.82Å; V68-A71 VanDerWaalsContact O-N 3.12Å; R69-A71 VanDerWaalsContact C-N 3.29Å; R69-A71 PolarHBondContact O-N 3.08Å; A71-E73 PolarHBondContact N-OE2 3.26Å
72	V	90.8	Very high	87.5	Confident	23 Å²	23	51.2 Å²	51.2	14%	0.139	26%	0.259	C	S	.	.	H	α-helix	trans	-76.3	-36.8	176.5	179.8	0	0	0	0	110.1	F61 L66 C74 L75 F76 L87	F61-V72 HydrophobicContact CZ-CG2 4.46Å; L66-V72 HydrophobicContact CD1-CG2 4.1Å; V72-C74 PolarHBondContact O-N 3.45Å; V72-L75 WeakPolarHBondContact O-CA 3.32Å; V72-L75 WeakPolarHBondContact O-CB 3.42Å; V72-L75 PolarHBondContact O-N 3.26Å; V72-F76 HydrophobicContact CG1-CD2 4.21Å; V72-F76 HydrophobicContact CG1-CE2 3.68Å; V72-F76 HydrophobicContact CG1-CZ 3.9Å; V72-F76 PolarHBondContact O-N 3.23Å; V72-L87 HydrophobicContact CG1-CD1 4.48Å
73	E	91	Very high	86.9	Confident	95 Å²	95	50.5 Å²	50.5	44%	0.444	26%	0.258	S	S	.	.	H	α-helix	trans	-60.4	-35.8	173.7	-60.6	82.6	173.4	0	0	111.1	A16 G70 A71 L75 F76 E77	A16-E73 HydrophobicContact CB-CB 3.66Å; G70-E73 WeakPolarHBondContact CA-OE2 3.47Å; G70-E73 PolarHBondContact N-OE2 2.93Å; A71-E73 PolarHBondContact N-OE2 3.26Å; E73-L75 VanDerWaalsContact C-N 3.3Å; E73-L75 PolarHBondContact O-N 2.99Å; E73-F76 PolarHBondContact O-N 3.14Å; E73-E77 WeakPolarHBondContact O-CB 3.19Å; E73-E77 PolarHBondContact O-N 3.34Å
74	C	92.9	Very high	85.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-36.8	171.8	-77.3	0	0	0	0	112	A16 L35 G70 V72 M78 I105	A16-C74 VanDerWaalsContact C-SG 3.58Å; A16-C74 HydrophobicContact CB-CB 4.47Å; L35-C74 HydrophobicContact CD1-CB 4.08Å; G70-C74 PolarHBondContact O-N 3.24Å; G70-C74 PolarHBondContact O-SG 2.95Å; V72-C74 PolarHBondContact O-N 3.45Å; C74-M78 VanDerWaalsContact O-CB 3.31Å; C74-M78 WeakPolarHBondContact O-CB 3.46Å; C74-M78 WeakPolarHBondContact O-CG 3.36Å; C74-M78 PolarHBondContact O-N 2.81Å; C74-I105 HydrophobicContact CB-CD1 4.23Å
75	L	93.3	Very high	85	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-69.7	-39.1	175.9	-66.9	169.5	0	0	0	111.3	L35 Y38 I54 F61 V72 E73 M78 G79 F80 L87	L35-L75 HydrophobicContact CD2-CD1 4.11Å; L35-L75 HydrophobicContact CD2-CD2 3.67Å; L35-L75 HydrophobicContact CD2-CG 3.6Å; Y38-L75 HydrophobicContact CD2-CD2 4.45Å; I54-L75 HydrophobicContact CD1-CD1 4.3Å; I54-L75 HydrophobicContact CD1-CD2 4.19Å; F61-L75 HydrophobicContact CE2-CD1 3.64Å; F61-L75 HydrophobicContact CZ-CD1 4.38Å; V72-L75 WeakPolarHBondContact O-CA 3.32Å; V72-L75 WeakPolarHBondContact O-CB 3.42Å; V72-L75 PolarHBondContact O-N 3.26Å; E73-L75 VanDerWaalsContact C-N 3.3Å; E73-L75 PolarHBondContact O-N 2.99Å; L75-M78 HydrophobicContact CD2-SD 4.12Å; L75-M78 WeakPolarHBondContact O-CB 3.41Å; L75-M78 PolarHBondContact O-N 2.77Å; L75-G79 PolarHBondContact O-N 2.72Å; L75-G79 VanDerWaalsContact O-N 3.17Å; L75-F80 HydrophobicContact CB-CB 4.26Å; L75-F80 HydrophobicContact CB-CD2 4.06Å; L75-F80 HydrophobicContact CB-CG 4.28Å; L75-F80 HydrophobicContact CD2-CD2 3.95Å; L75-F80 HydrophobicContact CD2-CE2 3.81Å; L75-F80 HydrophobicContact CD2-CZ 4.33Å; L75-F80 WeakPolarHBondContact O-CB 3.43Å; L75-F80 VanDerWaalsContact O-CD2 3.32Å; L75-F80 WeakPolarHBondContact O-CD2 3.16Å; L75-F80 PolarHBondContact O-N 2.98Å; L75-L87 HydrophobicContact CB-CD1 4.42Å; L75-L87 HydrophobicContact CD1-CD1 3.74Å
76	F	90.1	Very high	85	Confident	84 Å²	84	58.9 Å²	58.9	37%	0.368	30%	0.3	S	S	.	.	H	α-helix	trans	-65.7	-43.5	174	-64.3	-37.1	0	0	0	112.1	V72 E73 M78 G79 F80 E82 L87	V72-F76 HydrophobicContact CG1-CD2 4.21Å; V72-F76 HydrophobicContact CG1-CE2 3.68Å; V72-F76 HydrophobicContact CG1-CZ 3.9Å; V72-F76 PolarHBondContact O-N 3.23Å; E73-F76 PolarHBondContact O-N 3.14Å; F76-M78 VanDerWaalsContact C-N 3.26Å; F76-M78 PolarHBondContact O-N 2.94Å; F76-G79 WeakPolarHBondContact O-CA 3.35Å; F76-G79 PolarHBondContact O-N 3.05Å; F76-F80 WeakPolarHBondContact CD1-O 3.37Å; F76-E82 HydrophobicContact CE1-CB 4.15Å; F76-E82 HydrophobicContact CZ-CB 4.26Å; F76-L87 HydrophobicContact CE1-CD2 3.69Å; F76-L87 HydrophobicContact CZ-CD2 4.15Å
77	E	92.1	Very high	85.3	Confident	55 Å²	55	54.5 Å²	54.5	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-66	-28.5	174.3	-76.6	-164.8	-155.3	0	0	112.9	S14 P15 A16 E73 G79 Q97 I101	S14-E77 VanDerWaalsContact CB-OE2 3.23Å; S14-E77 WeakPolarHBondContact CB-OE2 3.38Å; S14-E77 VanDerWaalsContact OG-CD 3.32Å; S14-E77 PolarHBondContact OG-OE2 2.78Å; P15-E77 WeakPolarHBondContact CD-OE1 3.37Å; A16-E77 VanDerWaalsContact CB-CD 3.47Å; A16-E77 HydrophobicContact CB-CG 4.01Å; A16-E77 WeakPolarHBondContact CB-OE1 3.49Å; A16-E77 PolarHBondContact N-OE1 3.26Å; E73-E77 WeakPolarHBondContact O-CB 3.19Å; E73-E77 PolarHBondContact O-N 3.34Å; E77-G79 PolarHBondContact O-N 3.42Å; E77-Q97 WeakPolarHBondContact O-CG 3.37Å; E77-Q97 PolarHBondContact O-NE2 3.29Å; E77-I101 HydrophobicContact CB-CD1 4.16Å; E77-I101 HydrophobicContact CB-CG1 4.09Å; E77-I101 WeakPolarHBondContact OE2-CD1 3.3Å
78	M	92.5	Very high	85.6	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.1	-23.3	169.6	-82	176.2	-168.7	0	0	112.4	L35 A39 C74 L75 F76 F80 F89 L98 I101 I105	L35-M78 HydrophobicContact CB-CE 4.43Å; A39-M78 HydrophobicContact CB-CE 4.34Å; A39-M78 HydrophobicContact CB-SD 4.13Å; C74-M78 VanDerWaalsContact O-CB 3.31Å; C74-M78 WeakPolarHBondContact O-CB 3.46Å; C74-M78 WeakPolarHBondContact O-CG 3.36Å; C74-M78 PolarHBondContact O-N 2.81Å; L75-M78 HydrophobicContact CD2-SD 4.12Å; L75-M78 WeakPolarHBondContact O-CB 3.41Å; L75-M78 PolarHBondContact O-N 2.77Å; F76-M78 VanDerWaalsContact C-N 3.26Å; F76-M78 PolarHBondContact O-N 2.94Å; M78-F80 HydrophobicContact CB-CD2 4.19Å; M78-F80 HydrophobicContact CB-CE2 4.46Å; M78-F89 WeakPolarHBondContact O-CE2 3.46Å; M78-L98 HydrophobicContact CB-CD1 3.63Å; M78-L98 HydrophobicContact CG-CD1 3.77Å; M78-L98 WeakPolarHBondContact O-CA 3.43Å; M78-L98 PolarHBondContact O-N 3.48Å; M78-L98 HydrophobicContact SD-CD1 3.88Å; M78-I101 HydrophobicContact CE-CB 4.45Å; M78-I101 HydrophobicContact CE-CG2 3.86Å; M78-I101 HydrophobicContact CG-CB 3.74Å; M78-I101 HydrophobicContact CG-CG1 4.45Å; M78-I101 HydrophobicContact CG-CG2 3.73Å; M78-I105 HydrophobicContact CE-CD1 3.48Å; M78-I105 VanDerWaalsContact CE-CD1 3.48Å
79	G	89.1	Confident	85.8	Confident	21 Å²	21	53.4 Å²	53.4	22%	0.216	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	110	14.8	179.1	0	0	0	0	0	115.2	L75 F76 E77 F89 P90	L75-G79 PolarHBondContact O-N 2.72Å; L75-G79 VanDerWaalsContact O-N 3.17Å; F76-G79 WeakPolarHBondContact O-CA 3.35Å; F76-G79 PolarHBondContact O-N 3.05Å; E77-G79 PolarHBondContact O-N 3.42Å; G79-F89 WeakPolarHBondContact O-CD2 3.37Å; G79-P90 WeakPolarHBondContact O-CD 3.43Å
80	F	91.9	Very high	85.8	Confident	6 Å²	6	47.9 Å²	47.9	3%	0.026	25%	0.246	C	C	.	.			trans	-70.6	146.7	166.8	-71.6	-102.3	0	0	0	110	I42 I54 L75 F76 M78 L87 I88 F89 L98	I42-F80 HydrophobicContact CD1-CE1 4.06Å; I42-F80 HydrophobicContact CD1-CE2 4.06Å; I42-F80 HydrophobicContact CD1-CZ 3.37Å; I54-F80 HydrophobicContact CD1-CD1 4.07Å; I54-F80 HydrophobicContact CD1-CE1 3.42Å; I54-F80 VanDerWaalsContact CD1-CE1 3.42Å; I54-F80 HydrophobicContact CD1-CZ 3.71Å; I54-F80 HydrophobicContact CG1-CE1 3.88Å; I54-F80 HydrophobicContact CG1-CZ 4.48Å; L75-F80 HydrophobicContact CB-CB 4.26Å; L75-F80 HydrophobicContact CB-CD2 4.06Å; L75-F80 HydrophobicContact CB-CG 4.28Å; L75-F80 HydrophobicContact CD2-CD2 3.95Å; L75-F80 HydrophobicContact CD2-CE2 3.81Å; L75-F80 HydrophobicContact CD2-CZ 4.33Å; L75-F80 WeakPolarHBondContact O-CB 3.43Å; L75-F80 VanDerWaalsContact O-CD2 3.32Å; L75-F80 WeakPolarHBondContact O-CD2 3.16Å; L75-F80 PolarHBondContact O-N 2.98Å; F76-F80 WeakPolarHBondContact CD1-O 3.37Å; M78-F80 HydrophobicContact CB-CD2 4.19Å; M78-F80 HydrophobicContact CB-CE2 4.46Å; F80-L87 HydrophobicContact CB-CB 4.45Å; F80-L87 HydrophobicContact CD1-CB 4.14Å; F80-I88 CarbonylContact C-O 3.58Å; F80-I88 WeakPolarHBondContact CA-O 3.45Å; F80-F89 HydrophobicContact CD1-CB 3.88Å; F80-F89 AromaticContact CD2-CD2 3.99Å; F80-F89 HydrophobicContact CD2-CD2 3.99Å; F80-F89 HydrophobicContact CE1-CB 3.78Å; F80-F89 HydrophobicContact CE2-CB 4.48Å; F80-F89 HydrophobicContact CE2-CD2 4.14Å; F80-F89 HydrophobicContact CG-CB 4.3Å; F80-F89 HydrophobicContact CG-CD2 4.29Å; F80-F89 HydrophobicContact CZ-CB 4.12Å; F80-L98 HydrophobicContact CE2-CD1 4.39Å
81	E	85.9	Confident	85.5	Confident	97 Å²	97	55.1 Å²	55.1	45%	0.453	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.3	175	-67.1	179	-175.7	0	0	109.1	L87 I88 P90 K92	E81-L87 WeakPolarHBondContact O-CA 3.48Å; E81-I88 PolarHBondContact N-O 3.25Å; E81-I88 PolarHBondContact O-N 2.89Å; E81-P90 HydrophobicContact CB-CG 4.21Å; E81-P90 HydrophobicContact CG-CG 3.68Å; E81-P90 WeakPolarHBondContact OE1-CG 3.45Å; E81-P90 WeakPolarHBondContact OE2-CG 3.42Å; E81-K92 IonicContact OE1-NZ 3.76Å
82	E	78.6	Confident	85.1	Confident	153 Å²	153	63.1 Å²	63.1	72%	0.715	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	129.5	178.7	-172.3	173.8	-168	0	0	111.3	F76 L87	F76-E82 HydrophobicContact CE1-CB 4.15Å; F76-E82 HydrophobicContact CZ-CB 4.26Å; E82-L87 HydrophobicContact CB-CD2 4.3Å; E82-L87 HydrophobicContact CG-CD2 4.46Å
83	G	67.1	Low	84.9	Confident	26 Å²	26	63 Å²	63	27%	0.268	31%	0.313	S	S	.	.			trans	-123.1	172.1	166.2	0	0	0	0	0	111.1	T85 H86	G83-T85 VanDerWaalsContact C-N 3.26Å; G83-T85 PolarHBondContact O-N 3.37Å; G83-H86 CarbonylContact C-O 3.52Å; G83-H86 WeakPolarHBondContact CA-O 3.48Å; G83-H86 PolarHBondContact N-O 3.03Å
84	E	55.4	Low	84.6	Confident	200 Å²	200	61 Å²	61	94%	0.935	31%	0.31	S	S	*	.	S	Bend	trans	-53.7	-34.1	-169.1	-62.8	-179.8	170.6	0	0	115.4
85	T	69.4	Low	84.2	Confident	83 Å²	83	63.7 Å²	63.7	51%	0.509	33%	0.326	S	S	.	.	S	Bend	trans	-137.7	2.1	-178.7	52.3	0	0	0	0	113.9	I56 G83	I56-T85 PolarHBondContact N-O 3.05Å; G83-T85 VanDerWaalsContact C-N 3.26Å; G83-T85 PolarHBondContact O-N 3.37Å
86	H	83.7	Confident	83.9	Confident	57 Å²	57	70.5 Å²	70.5	26%	0.264	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	147.6	-172.7	-61.5	79.1	0	0	0	110.9	S53 I54 R55 G83 I88	S53-H86 PolarHBondContact OG-CD2 3.27Å; S53-H86 VanDerWaalsContact OG-CD2 3.31Å; I54-H86 CarbonylContact O-C 3.52Å; I54-H86 VanDerWaalsContact O-CA 3.23Å; I54-H86 WeakPolarHBondContact O-CA 3.43Å; R55-H86 VanDerWaalsContact CA-CD2 3.49Å; R55-H86 WeakPolarHBondContact CA-CD2 3.18Å; G83-H86 CarbonylContact C-O 3.52Å; G83-H86 WeakPolarHBondContact CA-O 3.48Å; G83-H86 PolarHBondContact N-O 3.03Å; H86-I88 HydrophobicContact CB-CG1 4.19Å
87	L	86.9	Confident	83.8	Confident	4 Å²	4	69.8 Å²	69.8	2%	0.021	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124	159.5	-65	-179.2	0	0	0	108.5	S53 I54 I56 F61 V72 L75 F76 F80 E81 E82	S53-L87 CarbonylContact C-O 3.54Å; S53-L87 WeakPolarHBondContact CA-O 3.43Å; I54-L87 HydrophobicContact CB-CB 4.31Å; I54-L87 PolarHBondContact N-O 3.37Å; I54-L87 PolarHBondContact O-N 2.65Å; I56-L87 HydrophobicContact CG1-CG 4.48Å; F61-L87 HydrophobicContact CE2-CD1 3.81Å; F61-L87 HydrophobicContact CZ-CD1 3.53Å; F61-L87 HydrophobicContact CZ-CG 4.36Å; V72-L87 HydrophobicContact CG1-CD1 4.48Å; L75-L87 HydrophobicContact CB-CD1 4.42Å; L75-L87 HydrophobicContact CD1-CD1 3.74Å; F76-L87 HydrophobicContact CE1-CD2 3.69Å; F76-L87 HydrophobicContact CZ-CD2 4.15Å; F80-L87 HydrophobicContact CB-CB 4.45Å; F80-L87 HydrophobicContact CD1-CB 4.14Å; E81-L87 WeakPolarHBondContact O-CA 3.48Å; E82-L87 HydrophobicContact CB-CD2 4.3Å; E82-L87 HydrophobicContact CG-CD2 4.46Å
88	I	90.5	Very high	83.8	Confident	82 Å²	82	67.1 Å²	67.1	42%	0.421	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.1	-174.2	-57.8	174.5	0	0	0	108.4	R52 F80 E81 H86 P90	R52-I88 CarbonylContact O-C 3.25Å; R52-I88 WeakPolarHBondContact O-CA 3.32Å; F80-I88 CarbonylContact C-O 3.58Å; F80-I88 WeakPolarHBondContact CA-O 3.45Å; E81-I88 PolarHBondContact N-O 3.25Å; E81-I88 PolarHBondContact O-N 2.89Å; H86-I88 HydrophobicContact CB-CG1 4.19Å; I88-P90 VanDerWaalsContact O-CD 3.25Å; I88-P90 WeakPolarHBondContact O-CD 3.05Å
89	F	92.4	Very high	83.7	Confident	1 Å²	1	70 Å²	70	0%	0.004	36%	0.357	C	S	.	.			trans	-94.7	97.9	170.5	-171.6	-105.8	0	0	0	109.3	I42 R52 M78 G79 F80 A93 L98	I42-F89 HydrophobicContact CD1-CB 3.86Å; I42-F89 HydrophobicContact CD1-CD1 4.05Å; I42-F89 HydrophobicContact CD1-CG 3.91Å; I42-F89 HydrophobicContact CG2-CD1 3.84Å; I42-F89 HydrophobicContact CG2-CE1 3.91Å; R52-F89 HydrophobicContact CB-CB 4.21Å; R52-F89 PolarHBondContact NE-O 3.29Å; R52-F89 VanDerWaalsContact NH2-CE1 3.31Å; R52-F89 PolarHBondContact NH2-O 2.9Å; R52-F89 PolarHBondContact O-N 3.3Å; M78-F89 WeakPolarHBondContact O-CE2 3.46Å; G79-F89 WeakPolarHBondContact O-CD2 3.37Å; F80-F89 HydrophobicContact CD1-CB 3.88Å; F80-F89 AromaticContact CD2-CD2 3.99Å; F80-F89 HydrophobicContact CD2-CD2 3.99Å; F80-F89 HydrophobicContact CE1-CB 3.78Å; F80-F89 HydrophobicContact CE2-CB 4.48Å; F80-F89 HydrophobicContact CE2-CD2 4.14Å; F80-F89 HydrophobicContact CG-CB 4.3Å; F80-F89 HydrophobicContact CG-CD2 4.29Å; F80-F89 HydrophobicContact CZ-CB 4.12Å; F89-A93 HydrophobicContact CD2-CB 4.17Å; F89-A93 HydrophobicContact CE1-CB 4.12Å; F89-A93 HydrophobicContact CE2-CB 3.67Å; F89-A93 HydrophobicContact CZ-CB 3.64Å; F89-L98 HydrophobicContact CE1-CD2 4.3Å; F89-L98 HydrophobicContact CE2-CB 4.29Å; F89-L98 HydrophobicContact CE2-CD1 4.41Å; F89-L98 HydrophobicContact CE2-CD2 4.43Å; F89-L98 HydrophobicContact CZ-CB 4.11Å; F89-L98 HydrophobicContact CZ-CD2 4.02Å
90	P	87.9	Confident	83.9	Confident	17 Å²	17	73.4 Å²	73.4	11%	0.11	37%	0.366	C	S	.	.			trans	-60.2	148.1	-170.7	-19	29.7	0	0	0	112.3	R52 G79 E81 I88 K92 A93	R52-P90 VanDerWaalsContact NH2-C 3.33Å; R52-P90 PolarHBondContact NH2-O 3.25Å; G79-P90 WeakPolarHBondContact O-CD 3.43Å; E81-P90 HydrophobicContact CB-CG 4.21Å; E81-P90 HydrophobicContact CG-CG 3.68Å; E81-P90 WeakPolarHBondContact OE1-CG 3.45Å; E81-P90 WeakPolarHBondContact OE2-CG 3.42Å; I88-P90 VanDerWaalsContact O-CD 3.25Å; I88-P90 WeakPolarHBondContact O-CD 3.05Å; P90-K92 HydrophobicContact CB-CG 3.8Å; P90-K92 PolarHBondContact O-N 2.84Å; P90-K92 VanDerWaalsContact O-N 3.07Å; P90-A93 HydrophobicContact CB-CB 4.44Å; P90-A93 HydrophobicContact CG-CB 4.47Å; P90-A93 VanDerWaalsContact O-CB 3.29Å; P90-A93 WeakPolarHBondContact O-CB 3.39Å; P90-A93 PolarHBondContact O-N 2.95Å
91	K	84.2	Confident	84	Confident	153 Å²	153	73.2 Å²	73.2	67%	0.665	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-26.8	176.9	-69.1	-176.1	-177.6	175.1	0	113.6	E49 R52	E49-K91 WeakPolarHBondContact OE1-CE 3.46Å; E49-K91 IonicContact OE1-NZ 2.72Å; E49-K91 PolarHBondContact OE1-NZ 3.34Å; R52-K91 VanDerWaalsContact NH2-CA 3.32Å
92	K	81.6	Confident	84.5	Confident	169 Å²	169	71.5 Å²	71.5	74%	0.735	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-9	177.6	61.8	174.5	-178.8	175.4	0	114.8	E81 P90	E81-K92 IonicContact OE1-NZ 3.76Å; P90-K92 HydrophobicContact CB-CG 3.8Å; P90-K92 PolarHBondContact O-N 2.84Å; P90-K92 VanDerWaalsContact O-N 3.07Å
93	A	85.4	Confident	85.2	Confident	19 Å²	19	66.9 Å²	66.9	16%	0.157	33%	0.334	C	S	.	.	S	Bend	trans	-72.4	143.9	-176.2	0	0	0	0	0	111.6	F89 P90 V95	F89-A93 HydrophobicContact CD2-CB 4.17Å; F89-A93 HydrophobicContact CE1-CB 4.12Å; F89-A93 HydrophobicContact CE2-CB 3.67Å; F89-A93 HydrophobicContact CZ-CB 3.64Å; P90-A93 HydrophobicContact CB-CB 4.44Å; P90-A93 HydrophobicContact CG-CB 4.47Å; P90-A93 VanDerWaalsContact O-CB 3.29Å; P90-A93 WeakPolarHBondContact O-CB 3.39Å; P90-A93 PolarHBondContact O-N 2.95Å; A93-V95 PolarHBondContact O-N 3.29Å
94	S	85.2	Confident	86.5	Confident	55 Å²	55	68.4 Å²	68.4	39%	0.385	34%	0.336	S	S	.	.			trans	-69.5	121.5	-177.1	168.4	0	0	0	0	111.1	E96 Q97 L98	S94-E96 VanDerWaalsContact C-N 3.26Å; S94-E96 PolarHBondContact OG-N 3.41Å; S94-E96 PolarHBondContact OG-OE2 3.23Å; S94-Q97 PolarHBondContact O-N 3.06Å; S94-Q97 PolarHBondContact OG-N 3.36Å; S94-Q97 VanDerWaalsContact OG-N 3.1Å; S94-L98 PolarHBondContact O-N 2.67Å
95	V	85.8	Confident	88.5	Confident	56 Å²	56	58.9 Å²	58.9	34%	0.339	29%	0.292	S	S	.	.	H	α-helix	trans	-71.4	-28.3	174.6	-179.1	0	0	0	0	110.4	L43 A93 L98 Q99	L43-V95 HydrophobicContact CD2-CG1 3.57Å; A93-V95 PolarHBondContact O-N 3.29Å; V95-L98 WeakPolarHBondContact O-CB 3.49Å; V95-L98 PolarHBondContact O-N 2.92Å; V95-Q99 WeakPolarHBondContact O-CB 3.23Å; V95-Q99 PolarHBondContact O-N 3.48Å
96	E	85.6	Confident	89.7	Confident	142 Å²	142	56 Å²	56	66%	0.664	28%	0.276	S	S	*	.	H	α-helix	trans	-66	-39.8	176.1	-56.4	72.6	-157.4	0	0	111.4	S94 Q99 K100	S94-E96 VanDerWaalsContact C-N 3.26Å; S94-E96 PolarHBondContact OG-N 3.41Å; S94-E96 PolarHBondContact OG-OE2 3.23Å; E96-Q99 PolarHBondContact O-N 3.12Å; E96-K100 WeakPolarHBondContact O-CB 3.23Å; E96-K100 PolarHBondContact O-N 3.4Å
97	Q	88.7	Confident	90.2	Very high	69 Å²	69	58.9 Å²	58.9	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-68.3	-42.6	175.8	-178.6	61.5	23.2	0	0	111.6	E77 S94 Q99 K100 I101	E77-Q97 WeakPolarHBondContact O-CG 3.37Å; E77-Q97 PolarHBondContact O-NE2 3.29Å; S94-Q97 PolarHBondContact O-N 3.06Å; S94-Q97 PolarHBondContact OG-N 3.36Å; S94-Q97 VanDerWaalsContact OG-N 3.1Å; Q97-Q99 VanDerWaalsContact C-N 3.34Å; Q97-Q99 PolarHBondContact O-N 3.13Å; Q97-K100 PolarHBondContact O-N 2.89Å; Q97-I101 PolarHBondContact O-N 2.87Å; Q97-I101 VanDerWaalsContact O-N 3.16Å
98	L	91.5	Very high	90.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-55.9	-48.6	171.9	177.2	69.4	0	0	0	111.1	A39 I42 L43 M78 F80 F89 S94 V95 R102	A39-L98 HydrophobicContact CB-CD1 3.86Å; A39-L98 HydrophobicContact CB-CG 4.35Å; I42-L98 HydrophobicContact CB-CD2 3.98Å; I42-L98 HydrophobicContact CG2-CD2 3.66Å; L43-L98 HydrophobicContact CD2-CD2 4.16Å; L43-L98 HydrophobicContact CG-CD2 4.07Å; M78-L98 HydrophobicContact CB-CD1 3.63Å; M78-L98 HydrophobicContact CG-CD1 3.77Å; M78-L98 WeakPolarHBondContact O-CA 3.43Å; M78-L98 PolarHBondContact O-N 3.48Å; M78-L98 HydrophobicContact SD-CD1 3.88Å; F80-L98 HydrophobicContact CE2-CD1 4.39Å; F89-L98 HydrophobicContact CE1-CD2 4.3Å; F89-L98 HydrophobicContact CE2-CB 4.29Å; F89-L98 HydrophobicContact CE2-CD1 4.41Å; F89-L98 HydrophobicContact CE2-CD2 4.43Å; F89-L98 HydrophobicContact CZ-CB 4.11Å; F89-L98 HydrophobicContact CZ-CD2 4.02Å; S94-L98 PolarHBondContact O-N 2.67Å; V95-L98 WeakPolarHBondContact O-CB 3.49Å; V95-L98 PolarHBondContact O-N 2.92Å; L98-R102 WeakPolarHBondContact O-CB 3.4Å; L98-R102 PolarHBondContact O-N 3.24Å
99	Q	92.1	Very high	90.6	Very high	60 Å²	60	59.8 Å²	59.8	28%	0.28	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-44.1	178.9	-174.2	65.9	51.2	0	0	111.6	V95 E96 Q97 R102 D103	V95-Q99 WeakPolarHBondContact O-CB 3.23Å; V95-Q99 PolarHBondContact O-N 3.48Å; E96-Q99 PolarHBondContact O-N 3.12Å; Q97-Q99 VanDerWaalsContact C-N 3.34Å; Q97-Q99 PolarHBondContact O-N 3.13Å; Q99-R102 PolarHBondContact O-N 3.16Å; Q99-D103 VanDerWaalsContact NE2-CG 3.25Å; Q99-D103 PolarHBondContact NE2-OD1 3.34Å; Q99-D103 PolarHBondContact NE2-OD2 3.43Å; Q99-D103 WeakPolarHBondContact O-CB 3.49Å; Q99-D103 VanDerWaalsContact O-CG 3.25Å; Q99-D103 PolarHBondContact O-N 3.42Å
100	K	93	Very high	90.6	Very high	93 Å²	93	62.8 Å²	62.8	40%	0.404	31%	0.314	S	S	.	.	H	α-helix	trans	-58.2	-51.4	179.3	-178.6	-176.6	175.7	-173.8	0	112.3	S12 E96 Q97 D103 L104	S12-K100 PolarHBondContact OG-NZ 3.3Å; E96-K100 WeakPolarHBondContact O-CB 3.23Å; E96-K100 PolarHBondContact O-N 3.4Å; Q97-K100 PolarHBondContact O-N 2.89Å; K100-D103 PolarHBondContact O-N 2.91Å; K100-L104 WeakPolarHBondContact O-CG 3.31Å; K100-L104 PolarHBondContact O-N 2.85Å; K100-L104 VanDerWaalsContact O-N 3.16Å
101	I	94.1	Very high	90.7	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-68.1	-39.6	-179	-58.2	-56.9	0	0	0	110.8	V17 E77 M78 Q97 D103 L104 I105	V17-I101 HydrophobicContact CG2-CG2 4.02Å; E77-I101 HydrophobicContact CB-CD1 4.16Å; E77-I101 HydrophobicContact CB-CG1 4.09Å; E77-I101 WeakPolarHBondContact OE2-CD1 3.3Å; M78-I101 HydrophobicContact CE-CB 4.45Å; M78-I101 HydrophobicContact CE-CG2 3.86Å; M78-I101 HydrophobicContact CG-CB 3.74Å; M78-I101 HydrophobicContact CG-CG1 4.45Å; M78-I101 HydrophobicContact CG-CG2 3.73Å; Q97-I101 PolarHBondContact O-N 2.87Å; Q97-I101 VanDerWaalsContact O-N 3.16Å; I101-D103 VanDerWaalsContact C-N 3.35Å; I101-D103 PolarHBondContact O-N 2.63Å; I101-L104 HydrophobicContact CD1-CD1 4.38Å; I101-L104 PolarHBondContact O-N 2.68Å; I101-I105 HydrophobicContact CG2-CD1 4.1Å; I101-I105 WeakPolarHBondContact O-CG1 3.48Å; I101-I105 PolarHBondContact O-N 2.67Å; I101-I105 VanDerWaalsContact O-N 3.1Å
102	R	96.1	Very high	91	Very high	61 Å²	61	61.2 Å²	61.2	23%	0.23	31%	0.313	C	S	.	.	H	α-helix	trans	-58.1	-44.2	174.8	175.7	-102.1	-179.4	-152.7	-1.2	112.2	L36 A39 D40 L43 L98 Q99 I105 A106	L36-R102 HydrophobicContact CD2-CG 3.81Å; L36-R102 VanDerWaalsContact CD2-O 3.31Å; L36-R102 WeakPolarHBondContact CD2-O 3.34Å; A39-R102 HydrophobicContact CB-CB 3.87Å; A39-R102 HydrophobicContact CB-CG 3.73Å; D40-R102 IonicContact OD1-CZ 3.26Å; D40-R102 VanDerWaalsContact OD1-CZ 3.26Å; D40-R102 IonicContact OD1-NE 2.77Å; D40-R102 PolarHBondContact OD1-NE 3.31Å; D40-R102 IonicContact OD1-NH2 2.89Å; D40-R102 PolarHBondContact OD1-NH2 2.81Å; D40-R102 IonicContact OD2-NH2 3.68Å; L43-R102 HydrophobicContact CD1-CG 4.45Å; L98-R102 WeakPolarHBondContact O-CB 3.4Å; L98-R102 PolarHBondContact O-N 3.24Å; Q99-R102 PolarHBondContact O-N 3.16Å; R102-I105 PolarHBondContact O-N 2.8Å; R102-A106 WeakPolarHBondContact O-CB 3.49Å; R102-A106 PolarHBondContact O-N 2.98Å
103	D	93.5	Very high	91.2	Very high	56 Å²	56	57 Å²	57	30%	0.299	30%	0.298	S	S	.	.	H	α-helix	trans	-68.9	-37.7	179.4	-69.5	-23	0	0	0	112.5	Q99 K100 I101 I105 A106 I107	Q99-D103 VanDerWaalsContact NE2-CG 3.25Å; Q99-D103 PolarHBondContact NE2-OD1 3.34Å; Q99-D103 PolarHBondContact NE2-OD2 3.43Å; Q99-D103 WeakPolarHBondContact O-CB 3.49Å; Q99-D103 VanDerWaalsContact O-CG 3.25Å; Q99-D103 PolarHBondContact O-N 3.42Å; K100-D103 PolarHBondContact O-N 2.91Å; I101-D103 VanDerWaalsContact C-N 3.35Å; I101-D103 PolarHBondContact O-N 2.63Å; D103-I105 PolarHBondContact O-N 2.98Å; D103-A106 PolarHBondContact O-N 3.48Å; D103-I107 VanDerWaalsContact O-CG1 3.26Å; D103-I107 WeakPolarHBondContact O-CG1 3.14Å; D103-I107 PolarHBondContact O-N 3.38Å
104	L	94.4	Very high	90.8	Very high	58 Å²	58	61.7 Å²	61.7	30%	0.304	32%	0.32	S	S	.	.	H	α-helix	trans	-59.7	-44.7	173.1	-70.5	174.3	0	0	0	111.9	V17 K100 I101 E108	V17-L104 HydrophobicContact CG1-CB 4.36Å; V17-L104 HydrophobicContact CG2-CB 4.27Å; K100-L104 WeakPolarHBondContact O-CG 3.31Å; K100-L104 PolarHBondContact O-N 2.85Å; K100-L104 VanDerWaalsContact O-N 3.16Å; I101-L104 HydrophobicContact CD1-CD1 4.38Å; I101-L104 PolarHBondContact O-N 2.68Å; L104-E108 PolarHBondContact O-N 2.82Å
105	I	95.8	Very high	89.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65	-40.1	176.6	-64.9	169.4	0	0	0	110.8	V17 L20 L35 L36 C74 M78 I101 R102 D103 R109	V17-I105 HydrophobicContact CG1-CG1 4.37Å; V17-I105 HydrophobicContact CG2-CD1 4.38Å; V17-I105 HydrophobicContact CG2-CG1 3.79Å; L20-I105 HydrophobicContact CD2-CD1 4.32Å; L20-I105 HydrophobicContact CD2-CG1 4.28Å; L35-I105 HydrophobicContact CB-CD1 4.35Å; L35-I105 HydrophobicContact CD1-CD1 4.15Å; L36-I105 HydrophobicContact CD1-CG2 4.33Å; L36-I105 HydrophobicContact CD2-CB 4.15Å; L36-I105 HydrophobicContact CD2-CG2 3.99Å; L36-I105 HydrophobicContact CG-CG2 3.96Å; C74-I105 HydrophobicContact CB-CD1 4.23Å; M78-I105 HydrophobicContact CE-CD1 3.48Å; M78-I105 VanDerWaalsContact CE-CD1 3.48Å; I101-I105 HydrophobicContact CG2-CD1 4.1Å; I101-I105 WeakPolarHBondContact O-CG1 3.48Å; I101-I105 PolarHBondContact O-N 2.67Å; I101-I105 VanDerWaalsContact O-N 3.1Å; R102-I105 PolarHBondContact O-N 2.8Å; D103-I105 PolarHBondContact O-N 2.98Å; I105-R109 VanDerWaalsContact O-CB 3.22Å; I105-R109 WeakPolarHBondContact O-CB 3.22Å; I105-R109 PolarHBondContact O-N 3.4Å
106	A	95.1	Very high	88.1	Confident	23 Å²	23	62.9 Å²	62.9	19%	0.19	34%	0.338	C	S	.	.	H	α-helix	trans	-67.5	-39.9	-179.4	0	0	0	0	0	113	L36 R102 D103 R109 S110	L36-A106 HydrophobicContact CD1-CB 4.46Å; L36-A106 HydrophobicContact CD2-CB 4.04Å; R102-A106 WeakPolarHBondContact O-CB 3.49Å; R102-A106 PolarHBondContact O-N 2.98Å; D103-A106 PolarHBondContact O-N 3.48Å; A106-R109 PolarHBondContact O-N 3.01Å; A106-S110 WeakPolarHBondContact O-CB 3.36Å; A106-S110 PolarHBondContact O-N 2.94Å; A106-S110 PolarHBondContact O-OG 3.15Å
107	I	93.9	Very high	85.9	Confident	117 Å²	117	63.1 Å²	63.1	60%	0.6	34%	0.344	S	S	*	.	H	α-helix	trans	-61.1	-51	175.8	-71.2	164	0	0	0	110.1	D103 R109 S110 S111	D103-I107 VanDerWaalsContact O-CG1 3.26Å; D103-I107 WeakPolarHBondContact O-CG1 3.14Å; D103-I107 PolarHBondContact O-N 3.38Å; I107-R109 VanDerWaalsContact C-N 3.34Å; I107-R109 PolarHBondContact O-N 3.37Å; I107-S110 PolarHBondContact O-N 3.14Å; I107-S111 PolarHBondContact O-N 2.85Å
108	E	92.5	Very high	83.8	Confident	56 Å²	56	68.5 Å²	68.5	26%	0.262	37%	0.366	S	S	.	.	H	α-helix	trans	-62.7	-42.3	179.7	-179.2	68	-169	0	0	111.7	C21 F28 L104 S110 S111 R112	C21-E108 VanDerWaalsContact SG-CG 3.56Å; F28-E108 HydrophobicContact CE1-CG 4.09Å; F28-E108 HydrophobicContact CE2-CG 4.04Å; F28-E108 HydrophobicContact CZ-CB 3.96Å; F28-E108 HydrophobicContact CZ-CG 3.45Å; F28-E108 VanDerWaalsContact CZ-CG 3.45Å; L104-E108 PolarHBondContact O-N 2.82Å; E108-S110 VanDerWaalsContact C-N 3.32Å; E108-S110 PolarHBondContact O-N 3.33Å; E108-S111 WeakPolarHBondContact O-CB 3.38Å; E108-S111 PolarHBondContact O-N 2.87Å; E108-R112 WeakPolarHBondContact O-CG 3.32Å; E108-R112 PolarHBondContact O-N 3.02Å; E108-R112 VanDerWaalsContact O-N 3.1Å; E108-R112 IonicContact OE1-CZ 2.72Å; E108-R112 VanDerWaalsContact OE1-CZ 3.24Å; E108-R112 IonicContact OE1-NE 2.77Å; E108-R112 PolarHBondContact OE1-NE 3.31Å; E108-R112 IonicContact OE1-NH2 3.92Å; E108-R112 PolarHBondContact OE1-NH2 3.33Å
109	R	94	Very high	81.1	Confident	48 Å²	48	73.2 Å²	73.2	18%	0.181	40%	0.399	C	S	.	.	H	α-helix	trans	-59.5	-42.3	176.9	-178.5	-178.7	175.3	73.7	7.3	112.6	F28 L29 S32 I105 A106 I107 R112 L113	F28-R109 HydrophobicContact CE1-CB 4.2Å; L29-R109 VanDerWaalsContact CA-NH1 3.31Å; L29-R109 HydrophobicContact CD2-CG 4.01Å; L29-R109 PolarHBondContact O-NH1 3.04Å; S32-R109 PolarHBondContact OG-NH1 3.39Å; I105-R109 VanDerWaalsContact O-CB 3.22Å; I105-R109 WeakPolarHBondContact O-CB 3.22Å; I105-R109 PolarHBondContact O-N 3.4Å; A106-R109 PolarHBondContact O-N 3.01Å; I107-R109 VanDerWaalsContact C-N 3.34Å; I107-R109 PolarHBondContact O-N 3.37Å; R109-R112 PolarHBondContact O-N 3.2Å; R109-L113 HydrophobicContact CG-CD1 4.21Å; R109-L113 WeakPolarHBondContact O-CG 3.28Å; R109-L113 PolarHBondContact O-N 2.8Å
110	S	92.1	Very high	78.4	Confident	64 Å²	64	79.2 Å²	79.2	45%	0.448	43%	0.427	S	S	.	.	H	α-helix	trans	-67.5	-43.6	179.2	-53.7	0	0	0	0	110.9	A106 I107 E108 R112 L113 D114	A106-S110 WeakPolarHBondContact O-CB 3.36Å; A106-S110 PolarHBondContact O-N 2.94Å; A106-S110 PolarHBondContact O-OG 3.15Å; I107-S110 PolarHBondContact O-N 3.14Å; E108-S110 VanDerWaalsContact C-N 3.32Å; E108-S110 PolarHBondContact O-N 3.33Å; S110-R112 VanDerWaalsContact C-N 3.3Å; S110-R112 PolarHBondContact O-N 2.87Å; S110-L113 PolarHBondContact O-N 3.04Å; S110-D114 PolarHBondContact O-N 2.6Å
111	S	91	Very high	75.3	Confident	73 Å²	73	84.2 Å²	84.2	51%	0.51	45%	0.449	S	S	.	.	H	α-helix	trans	-54.2	-43.1	175	-178.3	0	0	0	0	112.9	I107 E108 G115	I107-S111 PolarHBondContact O-N 2.85Å; E108-S111 WeakPolarHBondContact O-CB 3.38Å; E108-S111 PolarHBondContact O-N 2.87Å; S111-G115 PolarHBondContact O-N 3.23Å
112	R	89	Confident	72.2	Confident	64 Å²	64	90.8 Å²	90.8	24%	0.242	49%	0.488	C	S	.	.	H	α-helix	trans	-73.5	-31.7	179.7	-66.9	-174.1	-172.1	-146.8	-0.7	113.9	C21 E108 R109 S110 S116	C21-R112 PolarHBondContact O-NH1 2.96Å; C21-R112 PolarHBondContact O-NH2 3.25Å; E108-R112 WeakPolarHBondContact O-CG 3.32Å; E108-R112 PolarHBondContact O-N 3.02Å; E108-R112 VanDerWaalsContact O-N 3.1Å; E108-R112 IonicContact OE1-CZ 2.72Å; E108-R112 VanDerWaalsContact OE1-CZ 3.24Å; E108-R112 IonicContact OE1-NE 2.77Å; E108-R112 PolarHBondContact OE1-NE 3.31Å; E108-R112 IonicContact OE1-NH2 3.92Å; E108-R112 PolarHBondContact OE1-NH2 3.33Å; R109-R112 PolarHBondContact O-N 3.2Å; S110-R112 VanDerWaalsContact C-N 3.3Å; S110-R112 PolarHBondContact O-N 2.87Å; R112-S116 PolarHBondContact O-N 3.21Å
113	L	85.7	Confident	69	Low	81 Å²	81	96.3 Å²	96.3	42%	0.424	52%	0.517	S	S	.	.	H	α-helix	trans	-72.8	-37.2	175.5	-71.6	171.1	0	0	0	111.6	L29 R109 S110	L29-L113 HydrophobicContact CD1-CD2 4.09Å; L29-L113 HydrophobicContact CD2-CD2 3.96Å; L29-L113 HydrophobicContact CD2-CG 3.99Å; R109-L113 HydrophobicContact CG-CD1 4.21Å; R109-L113 WeakPolarHBondContact O-CG 3.28Å; R109-L113 PolarHBondContact O-N 2.8Å; S110-L113 PolarHBondContact O-N 3.04Å
114	D	77.4	Confident	65.9	Low	117 Å²	117	98.5 Å²	98.5	63%	0.626	54%	0.536	S	S	*	.	H	α-helix	trans	-73.5	-30.8	176.3	-70.6	-25.7	0	0	0	112.5	S110 S116 N117	S110-D114 PolarHBondContact O-N 2.6Å; D114-S116 VanDerWaalsContact C-N 3.34Å; D114-S116 PolarHBondContact O-N 3.15Å; D114-N117 PolarHBondContact O-N 3.39Å
115	G	61.3	Low	62.6	Low	44 Å²	44	101.8 Å²	101.8	45%	0.454	56%	0.564	S	S	.	*	H	α-helix	trans	-67.8	-27.7	176.3	0	0	0	0	0	114.5	S111 N117 K118	S111-G115 PolarHBondContact O-N 3.23Å; G115-N117 PolarHBondContact O-N 3.44Å; G115-K118 PolarHBondContact O-N 3.1Å
116	S	52.5	Low	59.4	Low	92 Å²	92	110.2 Å²	110.2	64%	0.643	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-15.9	179.4	-168.4	0	0	0	0	113.6	R112 D114	R112-S116 PolarHBondContact O-N 3.21Å; D114-S116 VanDerWaalsContact C-N 3.34Å; D114-S116 PolarHBondContact O-N 3.15Å
117	N	41.1	Very low	56.2	Low	148 Å²	148	118 Å²	118	79%	0.791	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	1.5	177.6	-86	-21.4	0	0	0	114.3	D114 G115	D114-N117 PolarHBondContact O-N 3.39Å; G115-N117 PolarHBondContact O-N 3.44Å
118	K	44.5	Very low	53.4	Low	181 Å²	181	118.4 Å²	118.4	79%	0.787	65%	0.646	S	S	*	*			trans	-117.5	1.9	-176	-81.8	-174.4	177.2	176.3	0	116.2	G115 H120	G115-K118 PolarHBondContact O-N 3.1Å; K118-H120 VanDerWaalsContact C-N 3.34Å; K118-H120 PolarHBondContact O-N 3.02Å; K118-H120 VanDerWaalsContact O-N 3.14Å
119	S	34.2	Very low	50.2	Low	99 Å²	99	121 Å²	121	69%	0.692	68%	0.677	S	S	*	*			trans	-90.5	57.9	179.9	76.1	0	0	0	0	113.9
120	H	35.2	Very low	46.9	Very low	187 Å²	187	123.2 Å²	123.2	87%	0.866	71%	0.706	S	S	*	*			trans	-130.5	77.8	153.3	-91.2	-48	0	0	0	108.1	K118	K118-H120 VanDerWaalsContact C-N 3.34Å; K118-H120 PolarHBondContact O-N 3.02Å; K118-H120 VanDerWaalsContact O-N 3.14Å
121	K	28.4	Very low	43.8	Very low	198 Å²	198	125.7 Å²	125.7	86%	0.861	72%	0.723	S	S	*	*			trans	176.5	126.2	142.8	-104.7	172.6	-179.2	-177.6	0	113.6
122	V	28.4	Very low	40.6	Very low	139 Å²	139	128.4 Å²	128.4	84%	0.842	74%	0.737	S	S	*	*			trans	102.5	127.9	145.3	-167.8	0	0	0	0	118.1
123	E	30.2	Very low	37.6	Very low	178 Å²	178	133.6 Å²	133.6	83%	0.832	76%	0.764	S	S	*	*			trans	-82.2	155	-171.5	-72.9	160.1	127.9	0	0	115.5
124	S	26.8	Very low	34.6	Very low	101 Å²	101	137.2 Å²	137.2	71%	0.706	78%	0.783	S	S	*	*				42.8	126.7	127.7	-160	0	0	0	0	121.5
125	S	26.2	Very low	32.7	Very low	128 Å²	128	136.5 Å²	136.5	90%	0.895	79%	0.785	S	S	*	*			trans	-157	124.7	133	-71.1	0	0	0	0	110.4
126	Q	28.8	Very low	31	Very low	177 Å²	177	140.4 Å²	140.4	83%	0.827	80%	0.8	S	S	*	*			trans	-94.1	148.6	173.4	-68.4	175.4	-20.7	0	0	110.9
127	Q	27	Very low	29.6	Very low	187 Å²	187	143.1 Å²	143.1	87%	0.874	81%	0.812	S	S	*	*				174.5	156	115.6	-99.5	-174.8	-21.3	0	0	114
128	P	35	Very low	28.8	Very low	125 Å²	125	144.6 Å²	144.6	81%	0.812	82%	0.819	S	S	*	*			trans	-110.9	168.2	-176	40.1	-28.7	0	0	0	114.8
129	A	25	Very low	27.9	Very low	109 Å²	109	140.9 Å²	140.9	90%	0.901	82%	0.816	S	S	*	*			trans	-136.6	156.3	172.9	0	0	0	0	0	113.6
130	A	25.1	Very low	27.6	Very low	95 Å²	95	141.4 Å²	141.4	79%	0.785	82%	0.82	S	S	*	*			trans	-108.3	-164.7	-153.6	0	0	0	0	0	115.9
131	S	26.4	Very low	27.3	Very low	117 Å²	117	140 Å²	140	82%	0.818	82%	0.819	S	S	*	*			trans	105.4	140.9	153.2	-69	0	0	0	0	118
132	T	25.5	Very low	27.9	Very low	130 Å²	130	135.9 Å²	135.9	80%	0.798	81%	0.813	S	S	*	*			cis	-168.4	166.3	-2.1	-66.2	0	0	0	0	109.8
133	Q	24	Very low	27.8	Very low	173 Å²	173	135.1 Å²	135.1	81%	0.808	81%	0.813	S	S	*	*			trans	-85.5	148.1	-175.2	-66.1	171.2	-34.3	0	0	117.5
134	L	23.8	Very low	27.6	Very low	157 Å²	157	130.5 Å²	130.5	82%	0.822	81%	0.813	S	S	*	*				34	170.7	129.8	-78.5	153.6	0	0	0	123.7
135	P	37.8	Very low	27.5	Very low	102 Å²	102	133.2 Å²	133.2	66%	0.662	82%	0.819	S	S	*	*			cis	-144.6	174.1	-13.9	35.3	-12.4	0	0	0	119.2
136	T	24.6	Very low	27.5	Very low	126 Å²	126	133.2 Å²	133.2	77%	0.773	81%	0.809	S	S	*	*			trans	27.5	142.3	146.9	51.3	0	0	0	0	126.1
137	T	23.7	Very low	27.5	Very low	148 Å²	148	132.1 Å²	132.1	91%	0.908	80%	0.804	S	S	*	*				-156.8	146.4	130	47.1	0	0	0	0	113.8
138	L	24.7	Very low	27.4	Very low	179 Å²	179	130.9 Å²	130.9	94%	0.937	80%	0.798	S	S	*	*			trans	-98.1	159.2	175.7	-84.6	142.6	0	0	0	112.8
139	S	25.3	Very low	27	Very low	103 Å²	103	130.9 Å²	130.9	72%	0.72	80%	0.796	S	S	*	*			trans	166.7	112.6	146.8	175.8	0	0	0	0	109.5
140	S	27.4	Very low	27	Very low	110 Å²	110	136.4 Å²	136.4	77%	0.769	79%	0.793	S	S	*	*				88	122.3	79.9	88	0	0	0	0	116.1
141	N	29.3	Very low	27.1	Very low	158 Å²	158	138.7 Å²	138.7	85%	0.845	79%	0.792	S	S	*	*			trans	-73.5	174.2	172	-93	-9.3	0	0	0	110.7
142	P	40.3	Very low	27.1	Very low	112 Å²	112	145.2 Å²	145.2	73%	0.727	80%	0.799	S	S	*	*			cis	-162.8	-177.3	43.7	44.9	-20.7	0	0	0	120.5
143	S	26.7	Very low	27.2	Very low	123 Å²	123	148.7 Å²	148.7	86%	0.86	81%	0.806	S	S	*	*			trans	84	127.7	142.3	-58.1	0	0	0	0	122.9
144	G	26.2	Very low	27.3	Very low	81 Å²	81	144.1 Å²	144.1	84%	0.835	81%	0.805	S	S	*	*			trans	-172.1	122	157.9	0	0	0	0	0	112.2
145	L	24.3	Very low	27.5	Very low	158 Å²	158	146 Å²	146	83%	0.827	81%	0.81	S	S	*	*			trans	-99.2	170.9	-165.8	-131.7	88	0	0	0	113.7
146	N	27	Very low	26.9	Very low	128 Å²	128	146 Å²	146	68%	0.684	81%	0.813	S	S	*	*			trans	95.7	143.6	158.2	-61.7	-27.5	0	0	0	118
147	Q	27.9	Very low	27.2	Very low	154 Å²	154	146.1 Å²	146.1	72%	0.72	82%	0.815	S	S	*	*			cis	-174.7	148.2	-19.4	-113.2	-178.4	8.7	0	0	106.4
148	H	26	Very low	27.4	Very low	160 Å²	160	146.3 Å²	146.3	74%	0.741	81%	0.811	S	S	*	*			trans	32.9	143.6	150.4	-64.9	-60	0	0	0	122.1
149	T	25.6	Very low	27.7	Very low	126 Å²	126	143.3 Å²	143.3	77%	0.773	80%	0.802	S	S	*	*				-176.7	139.4	58.1	-18.6	0	0	0	0	113
150	R	25.7	Very low	28.2	Very low	225 Å²	225	144.3 Å²	144.3	85%	0.849	81%	0.806	S	S	*	*			trans	30.7	130.1	142.7	-87.7	178.3	169.6	170.8	-2.7	126.1
151	N	26.4	Very low	28.6	Very low	142 Å²	142	145.1 Å²	145.1	76%	0.759	81%	0.812	S	S	*	*				56	127.1	127.7	-76.8	3.6	0	0	0	122.8
152	R	27.4	Very low	28.5	Very low	255 Å²	255	141.8 Å²	141.8	96%	0.962	81%	0.806	S	S	*	*				-164.7	142	119.4	-107.1	174.4	-175.7	-160.7	1	113.2
153	Q	27.9	Very low	27.8	Very low	202 Å²	202	141.4 Å²	141.4	94%	0.944	81%	0.806	S	S	*	*			trans	-70.1	156.1	176.6	-70	163.6	-42.5	0	0	112.9
154	G	25.7	Very low	27.8	Very low	77 Å²	77	142.4 Å²	142.4	79%	0.794	81%	0.807	S	S	*	*			trans	-168.3	122.3	163.2	0	0	0	0	0	111.1
155	Q	28.4	Very low	28.2	Very low	196 Å²	196	144.6 Å²	144.6	92%	0.916	80%	0.804	S	S	*	*			trans	-74.4	164.6	-173.7	-76	163.7	-25.7	0	0	114.2
156	S	25.3	Very low	28.7	Very low	103 Å²	103	141.6 Å²	141.6	72%	0.72	79%	0.793	S	S	*	*			trans	-61.8	169.9	-177.8	44.6	0	0	0	0	116.1
157	P	30.5	Very low	29.5	Very low	128 Å²	128	140.2 Å²	140.2	83%	0.831	79%	0.791	S	S	*	*				-139.8	150.8	105.6	32.3	-15.8	0	0	0	115.3
158	D	27.8	Very low	30.6	Very low	153 Å²	153	139.8 Å²	139.8	82%	0.818	79%	0.793	S	S	*	*			trans	-64.5	154.8	176.9	-68.2	-50.7	0	0	0	114.3
159	P	31.6	Very low	32.7	Very low	115 Å²	115	133.1 Å²	133.1	75%	0.747	77%	0.765	S	S	*	*			trans	-105	161	155.5	33.2	-21.9	0	0	0	112.9
160	P	34.6	Very low	35.5	Very low	124 Å²	124	130.4 Å²	130.4	81%	0.805	76%	0.755	S	S	*	*			trans	-84.5	151.5	-151.1	33.1	-34.9	0	0	0	114.7	A162	P160-A162 PolarHBondContact O-N 3.07Å
161	S	35.5	Very low	38.6	Very low	127 Å²	127	119.8 Å²	119.8	89%	0.888	72%	0.715	S	S	*	*			trans	-61.3	118.3	169.8	35.6	0	0	0	0	112.5
162	A	27.1	Very low	41.6	Very low	88 Å²	88	114.4 Å²	114.4	73%	0.727	69%	0.686	S	S	*	*			trans	-136.6	114.2	160.7	0	0	0	0	0	109.6	P160	P160-A162 PolarHBondContact O-N 3.07Å
163	S	25.4	Very low	44.7	Very low	105 Å²	105	104.5 Å²	104.5	73%	0.734	66%	0.663	S	S	*	*			trans	53.3	88.9	164.2	54	0	0	0	0	117.4	V165	S163-V165 VanDerWaalsContact C-N 3.31Å; S163-V165 PolarHBondContact O-N 3.37Å
164	T	28.6	Very low	47.6	Very low	143 Å²	143	96.5 Å²	96.5	88%	0.877	63%	0.628	S	S	*	*			trans	-55.5	92.2	152.1	22.8	0	0	0	0	110.1
165	V	33.2	Very low	50.9	Low	128 Å²	128	92.9 Å²	92.9	78%	0.776	59%	0.591	S	S	*	*			trans	-82.5	106.1	147.5	-178.3	0	0	0	0	104.8	S163 P167	S163-V165 VanDerWaalsContact C-N 3.31Å; S163-V165 PolarHBondContact O-N 3.37Å; V165-P167 WeakPolarHBondContact O-CD 3.44Å
166	T	36.1	Very low	54	Low	95 Å²	95	89.3 Å²	89.3	58%	0.583	57%	0.574	S	S	*	*			trans	-54.4	127.2	172.9	42.3	0	0	0	0	109.4	D168	T166-D168 PolarHBondContact O-N 2.73Å
167	P	42.8	Very low	57.2	Low	99 Å²	99	87.6 Å²	87.6	64%	0.643	56%	0.562	S	S	*	*			trans	-83.6	55.5	167.7	34.1	-30.2	0	0	0	109.2	V165 S169 L172	V165-P167 WeakPolarHBondContact O-CD 3.44Å; P167-S169 PolarHBondContact O-N 3.39Å; P167-L172 HydrophobicContact CB-CD1 4.27Å
168	D	51.2	Low	60.3	Low	144 Å²	144	82.5 Å²	82.5	77%	0.77	53%	0.528	S	S	*	.			trans	-83	47.7	175	-84.6	-22.8	0	0	0	111	T166 A170	T166-D168 PolarHBondContact O-N 2.73Å; D168-A170 PolarHBondContact O-N 3.13Å
169	S	69.9	Low	63.4	Low	20 Å²	20	76 Å²	76	14%	0.14	49%	0.493	C	S	.	.			trans	-76.9	111	165.8	160.7	0	0	0	0	107.3	P167 I171 L172 G173	P167-S169 PolarHBondContact O-N 3.39Å; S169-I171 PolarHBondContact O-N 3.29Å; S169-I171 WeakPolarHBondContact OG-CB 3.35Å; S169-I171 PolarHBondContact OG-N 3.23Å; S169-L172 WeakPolarHBondContact O-CB 3.36Å; S169-L172 PolarHBondContact O-N 3.34Å; S169-G173 PolarHBondContact O-N 3.14Å
170	A	84.8	Confident	66.4	Low	70 Å²	70	76.6 Å²	76.6	58%	0.579	49%	0.486	S	S	*	.	H	α-helix	trans	-48.9	-28.9	173.3	0	0	0	0	0	112.4	D168 G173 V174	D168-A170 PolarHBondContact O-N 3.13Å; A170-G173 PolarHBondContact O-N 3Å; A170-V174 WeakPolarHBondContact O-CG2 3.25Å; A170-V174 PolarHBondContact O-N 3.48Å
171	I	89.6	Confident	69.1	Low	1 Å²	1	72.1 Å²	72.1	1%	0.005	45%	0.454	C	S	.	.	H	α-helix	trans	-62.7	-45.1	174.5	-62	176.4	0	0	0	111.1	S169 G173 V174 L175 W331 Y333 Y375 K404 V405 L410	S169-I171 PolarHBondContact O-N 3.29Å; S169-I171 WeakPolarHBondContact OG-CB 3.35Å; S169-I171 PolarHBondContact OG-N 3.23Å; I171-G173 VanDerWaalsContact C-N 3.3Å; I171-G173 PolarHBondContact O-N 3.01Å; I171-V174 CarbonylContact O-C 3.49Å; I171-V174 WeakPolarHBondContact O-CB 3.46Å; I171-V174 PolarHBondContact O-N 3.41Å; I171-V174 VanDerWaalsContact O-N 3.12Å; I171-L175 HydrophobicContact CG2-CG 4.47Å; I171-L175 WeakPolarHBondContact O-CG 3.34Å; I171-L175 PolarHBondContact O-N 3.42Å; I171-W331 HydrophobicContact CG1-CH2 4.34Å; I171-Y333 HydrophobicContact CD1-CD2 3.99Å; I171-Y333 HydrophobicContact CD1-CE2 3.93Å; I171-Y333 HydrophobicContact CG1-CD2 3.82Å; I171-Y333 HydrophobicContact CG1-CE2 3.58Å; I171-Y375 HydrophobicContact CD1-CD1 4.01Å; I171-Y375 HydrophobicContact CD1-CD2 3.5Å; I171-Y375 VanDerWaalsContact CD1-CD2 3.5Å; I171-Y375 HydrophobicContact CD1-CE1 4.06Å; I171-Y375 HydrophobicContact CD1-CE2 3.54Å; I171-Y375 HydrophobicContact CD1-CG 3.74Å; I171-K404 HydrophobicContact CD1-CB 3.54Å; I171-K404 HydrophobicContact CD1-CG 4.29Å; I171-K404 HydrophobicContact CG1-CB 4.43Å; I171-V405 HydrophobicContact CD1-CG1 4.1Å; I171-L410 HydrophobicContact CG2-CD1 4.31Å
172	L	91.1	Very high	72	Confident	30 Å²	30	66.2 Å²	66.2	16%	0.157	41%	0.412	C	S	.	.	H	α-helix	trans	-63.7	-38.1	179.3	-58.8	178.8	0	0	0	111.4	P167 S169 L175 Q176 V405 L409 T413	P167-L172 HydrophobicContact CB-CD1 4.27Å; S169-L172 WeakPolarHBondContact O-CB 3.36Å; S169-L172 PolarHBondContact O-N 3.34Å; L172-L175 HydrophobicContact CD2-CD1 4.08Å; L172-L175 WeakPolarHBondContact O-CB 3.44Å; L172-L175 PolarHBondContact O-N 3.32Å; L172-Q176 PolarHBondContact O-N 3.05Å; L172-Q176 VanDerWaalsContact O-N 3.12Å; L172-V405 HydrophobicContact CD2-CG2 4.47Å; L172-L409 HydrophobicContact CD1-CD2 4.33Å; L172-T413 HydrophobicContact CD2-CG2 4.08Å
173	G	91.1	Very high	75.3	Confident	46 Å²	46	65.1 Å²	65.1	47%	0.474	39%	0.394	S	S	.	.	H	α-helix	trans	-62.1	-41.8	172.1	0	0	0	0	0	112.5	S169 A170 I171 Q176 S177	S169-G173 PolarHBondContact O-N 3.14Å; A170-G173 PolarHBondContact O-N 3Å; I171-G173 VanDerWaalsContact C-N 3.3Å; I171-G173 PolarHBondContact O-N 3.01Å; G173-Q176 PolarHBondContact O-N 3.06Å; G173-S177 WeakPolarHBondContact O-CB 3.36Å; G173-S177 PolarHBondContact O-N 3.47Å
174	V	90.3	Very high	78.8	Confident	34 Å²	34	62.3 Å²	62.3	21%	0.206	37%	0.372	C	S	.	.	H	α-helix	trans	-63.9	-41.4	174.1	170.9	0	0	0	0	111.5	A170 I171 Q176 S177 N178 W331	A170-V174 WeakPolarHBondContact O-CG2 3.25Å; A170-V174 PolarHBondContact O-N 3.48Å; I171-V174 CarbonylContact O-C 3.49Å; I171-V174 WeakPolarHBondContact O-CB 3.46Å; I171-V174 PolarHBondContact O-N 3.41Å; I171-V174 VanDerWaalsContact O-N 3.12Å; V174-Q176 VanDerWaalsContact C-N 3.32Å; V174-Q176 PolarHBondContact O-N 3.41Å; V174-S177 PolarHBondContact O-N 3.47Å; V174-N178 VanDerWaalsContact CG1-ND2 3.34Å; V174-N178 WeakPolarHBondContact CG1-ND2 3.46Å; V174-N178 WeakPolarHBondContact O-CB 3.41Å; V174-N178 PolarHBondContact O-N 3.11Å; V174-W331 HydrophobicContact CB-CH2 4.21Å; V174-W331 HydrophobicContact CB-CZ2 4.37Å; V174-W331 HydrophobicContact CG1-CD2 3.76Å; V174-W331 HydrophobicContact CG1-CE3 3.88Å; V174-W331 HydrophobicContact CG1-CG 4.3Å; V174-W331 HydrophobicContact CG1-CH2 3.95Å; V174-W331 HydrophobicContact CG1-CZ2 3.94Å; V174-W331 HydrophobicContact CG1-CZ3 3.97Å; V174-W331 HydrophobicContact CG2-CH2 4.19Å; V174-W331 HydrophobicContact CG2-CZ2 4Å
175	L	94.3	Very high	82.1	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-55.7	-49.1	175.8	-65.2	-177.1	0	0	0	110.7	I171 L172 I179 I377 F379 V384 L410 T413 I414 L417	I171-L175 HydrophobicContact CG2-CG 4.47Å; I171-L175 WeakPolarHBondContact O-CG 3.34Å; I171-L175 PolarHBondContact O-N 3.42Å; L172-L175 HydrophobicContact CD2-CD1 4.08Å; L172-L175 WeakPolarHBondContact O-CB 3.44Å; L172-L175 PolarHBondContact O-N 3.32Å; L175-I179 VanDerWaalsContact O-CB 3.25Å; L175-I179 WeakPolarHBondContact O-CB 3.45Å; L175-I179 VanDerWaalsContact O-CG2 3.31Å; L175-I179 WeakPolarHBondContact O-CG2 3.45Å; L175-I179 PolarHBondContact O-N 3.32Å; L175-I377 HydrophobicContact CD2-CB 4.41Å; L175-I377 HydrophobicContact CD2-CG1 4.29Å; L175-I377 HydrophobicContact CD2-CG2 3.71Å; L175-F379 HydrophobicContact CD2-CE1 3.93Å; L175-F379 HydrophobicContact CD2-CZ 3.76Å; L175-V384 HydrophobicContact CD2-CG1 4.24Å; L175-L410 HydrophobicContact CD1-CD1 3.92Å; L175-T413 HydrophobicContact CD1-CG2 3.97Å; L175-I414 HydrophobicContact CD1-CG1 4.23Å; L175-L417 HydrophobicContact CB-CD1 4.13Å
176	Q	92.6	Very high	85.2	Confident	121 Å²	121	52 Å²	52	57%	0.565	31%	0.305	S	S	*	.	H	α-helix	trans	-69.2	-33.5	-178.7	-167.3	65	16.4	0	0	113.2	L172 G173 V174 I179	L172-Q176 PolarHBondContact O-N 3.05Å; L172-Q176 VanDerWaalsContact O-N 3.12Å; G173-Q176 PolarHBondContact O-N 3.06Å; V174-Q176 VanDerWaalsContact C-N 3.32Å; V174-Q176 PolarHBondContact O-N 3.41Å; Q176-I179 VanDerWaalsContact O-CG2 3.29Å; Q176-I179 WeakPolarHBondContact O-CG2 2.99Å
177	S	92.9	Very high	88.1	Confident	68 Å²	68	51.1 Å²	51.1	48%	0.476	30%	0.298	S	S	.	.	H	α-helix	trans	-71.7	-47.6	176.2	-177.8	0	0	0	0	111.3	G173 V174 Q180 H181	G173-S177 WeakPolarHBondContact O-CB 3.36Å; G173-S177 PolarHBondContact O-N 3.47Å; V174-S177 PolarHBondContact O-N 3.47Å; S177-Q180 PolarHBondContact O-N 3.37Å; S177-H181 WeakPolarHBondContact O-CB 3.28Å; S177-H181 PolarHBondContact O-N 2.91Å
178	N	95.1	Very high	90.8	Very high	20 Å²	20	50.5 Å²	50.5	11%	0.107	29%	0.294	C	S	.	.	H	α-helix	trans	-75.1	-33.4	-173.2	-73.2	-7.1	0	0	0	112.3	V174 Q180 H181 V182 F379	V174-N178 VanDerWaalsContact CG1-ND2 3.34Å; V174-N178 WeakPolarHBondContact CG1-ND2 3.46Å; V174-N178 WeakPolarHBondContact O-CB 3.41Å; V174-N178 PolarHBondContact O-N 3.11Å; N178-Q180 PolarHBondContact O-N 3.44Å; N178-H181 PolarHBondContact O-N 3.33Å; N178-V182 WeakPolarHBondContact O-CG1 3.17Å; N178-V182 WeakPolarHBondContact O-CG2 3.35Å; N178-V182 PolarHBondContact O-N 3.06Å; N178-V182 VanDerWaalsContact O-N 3.09Å; N178-F379 HydrophobicContact CB-CD1 3.69Å; N178-F379 HydrophobicContact CB-CD2 3.77Å; N178-F379 HydrophobicContact CB-CE1 3.63Å; N178-F379 HydrophobicContact CB-CE2 3.69Å; N178-F379 HydrophobicContact CB-CG 3.77Å; N178-F379 HydrophobicContact CB-CZ 3.61Å
179	I	94.6	Very high	93	Very high	17 Å²	17	46.1 Å²	46.1	9%	0.087	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-37.5	174.1	-162	177.8	0	0	0	111.6	L175 Q176 V182 F379 V384 L417 R421	L175-I179 VanDerWaalsContact O-CB 3.25Å; L175-I179 WeakPolarHBondContact O-CB 3.45Å; L175-I179 VanDerWaalsContact O-CG2 3.31Å; L175-I179 WeakPolarHBondContact O-CG2 3.45Å; L175-I179 PolarHBondContact O-N 3.32Å; Q176-I179 VanDerWaalsContact O-CG2 3.29Å; Q176-I179 WeakPolarHBondContact O-CG2 2.99Å; I179-V182 WeakPolarHBondContact O-CG2 3.49Å; I179-F379 HydrophobicContact CB-CD1 4.48Å; I179-V384 HydrophobicContact CB-CG2 4.31Å; I179-V384 HydrophobicContact CD1-CG2 3.83Å; I179-V384 HydrophobicContact CG1-CG2 3.84Å; I179-L417 HydrophobicContact CD1-CB 3.78Å; I179-L417 HydrophobicContact CD1-CD1 4.17Å; I179-L417 HydrophobicContact CD1-CD2 3.79Å; I179-L417 HydrophobicContact CD1-CG 4.11Å; I179-R421 VanDerWaalsContact CG1-NH2 3.27Å; I179-R421 PolarHBondContact O-NH1 2.91Å
180	Q	92.8	Very high	94.4	Very high	128 Å²	128	45.3 Å²	45.3	60%	0.598	27%	0.271	S	S	*	.	H	α-helix	trans	-78.9	-41.9	176.3	-174	60.2	34	0	0	111.6	S177 N178 V182 L183	S177-Q180 PolarHBondContact O-N 3.37Å; N178-Q180 PolarHBondContact O-N 3.44Å; Q180-V182 VanDerWaalsContact C-N 3.35Å; Q180-V182 PolarHBondContact O-N 3.4Å; Q180-L183 WeakPolarHBondContact O-CB 3.06Å; Q180-L183 PolarHBondContact O-N 2.85Å
181	H	92.3	Very high	95	Very high	30 Å²	30	43.9 Å²	43.9	14%	0.139	25%	0.252	C	S	.	.	H	α-helix	trans	-56.2	-47.1	-178.4	-179.7	-103.6	0	0	0	112.1	S177 N178 L183 V184 Y185 N296	S177-H181 WeakPolarHBondContact O-CB 3.28Å; S177-H181 PolarHBondContact O-N 2.91Å; N178-H181 PolarHBondContact O-N 3.33Å; H181-L183 PolarHBondContact O-N 3.13Å; H181-V184 VanDerWaalsContact O-CB 3.31Å; H181-V184 WeakPolarHBondContact O-CB 3.34Å; H181-V184 WeakPolarHBondContact O-CG1 3.49Å; H181-V184 PolarHBondContact O-N 3.31Å; H181-Y185 PolarHBondContact CE1-OH 3.17Å; H181-N296 PolarHBondContact CD2-ND2 3.44Å; H181-N296 PolarHBondContact NE2-ND2 3.06Å; H181-N296 PolarHBondContact NE2-O 3.42Å
182	V	96.3	Very high	95.5	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.012	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-64.2	-16	-175.9	-62.7	0	0	0	0	114.3	N178 I179 Q180 V184 Y185 Y329 F379 S380	N178-V182 WeakPolarHBondContact O-CG1 3.17Å; N178-V182 WeakPolarHBondContact O-CG2 3.35Å; N178-V182 PolarHBondContact O-N 3.06Å; N178-V182 VanDerWaalsContact O-N 3.09Å; I179-V182 WeakPolarHBondContact O-CG2 3.49Å; Q180-V182 VanDerWaalsContact C-N 3.35Å; Q180-V182 PolarHBondContact O-N 3.4Å; V182-V184 PolarHBondContact O-N 3.24Å; V182-Y185 HydrophobicContact CB-CD2 4.12Å; V182-Y185 HydrophobicContact CB-CE2 4.07Å; V182-Y185 HydrophobicContact CG1-CE2 3.99Å; V182-Y185 WeakPolarHBondContact O-CD2 3.25Å; V182-Y185 PolarHBondContact O-N 3.2Å; V182-Y329 HydrophobicContact CG1-CG 4.5Å; V182-F379 HydrophobicContact CG1-CB 3.61Å; V182-F379 HydrophobicContact CG2-CB 4.16Å; V182-S380 VanDerWaalsContact CG2-O 3.31Å; V182-S380 WeakPolarHBondContact CG2-O 3.47Å
183	L	96.8	Very high	95.8	Very high	65 Å²	65	53.2 Å²	53.2	34%	0.34	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-70.2	-18	173.9	-60.3	179.5	0	0	0	112.5	Q180 H181 Y185 E186	Q180-L183 WeakPolarHBondContact O-CB 3.06Å; Q180-L183 PolarHBondContact O-N 2.85Å; H181-L183 PolarHBondContact O-N 3.13Å; L183-Y185 PolarHBondContact O-N 3.08Å; L183-E186 WeakPolarHBondContact O-CB 3.29Å; L183-E186 PolarHBondContact O-N 3.17Å
184	V	97.4	Very high	96.2	Very high	46 Å²	46	51 Å²	51	28%	0.279	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-58.3	-34.4	174.2	77.8	0	0	0	0	111.3	H181 V182 E186 N187 L190 P298	H181-V184 VanDerWaalsContact O-CB 3.31Å; H181-V184 WeakPolarHBondContact O-CB 3.34Å; H181-V184 WeakPolarHBondContact O-CG1 3.49Å; H181-V184 PolarHBondContact O-N 3.31Å; V182-V184 PolarHBondContact O-N 3.24Å; V184-E186 PolarHBondContact O-N 2.82Å; V184-N187 WeakPolarHBondContact O-CB 3.38Å; V184-N187 PolarHBondContact O-N 3.27Å; V184-L190 HydrophobicContact CG2-CD2 4.07Å; V184-P298 HydrophobicContact CG1-CG 3.86Å; V184-P298 HydrophobicContact CG2-CG 4.31Å
185	Y	98.4	Very high	96.6	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.012	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-69.5	-15	-179.6	-48.9	-45.1	0	0	0	113	H181 V182 L183 N187 Q191 P298 N314 T317 L318	H181-Y185 PolarHBondContact CE1-OH 3.17Å; V182-Y185 HydrophobicContact CB-CD2 4.12Å; V182-Y185 HydrophobicContact CB-CE2 4.07Å; V182-Y185 HydrophobicContact CG1-CE2 3.99Å; V182-Y185 WeakPolarHBondContact O-CD2 3.25Å; V182-Y185 PolarHBondContact O-N 3.2Å; L183-Y185 PolarHBondContact O-N 3.08Å; Y185-N187 VanDerWaalsContact C-N 3.34Å; Y185-Q191 WeakPolarHBondContact O-CG 3.41Å; Y185-Q191 PolarHBondContact O-NE2 2.99Å; Y185-P298 HydrophobicContact CD1-CG 4.39Å; Y185-P298 HydrophobicContact CE1-CB 4.44Å; Y185-P298 HydrophobicContact CE1-CG 4.14Å; Y185-N314 WeakPolarHBondContact CE1-O 3.34Å; Y185-N314 VanDerWaalsContact CE1-OD1 3.31Å; Y185-N314 WeakPolarHBondContact CE1-OD1 3.31Å; Y185-N314 PolarHBondContact OH-OD1 3.29Å; Y185-T317 HydrophobicContact CD2-CG2 3.74Å; Y185-T317 HydrophobicContact CE2-CG2 3.46Å; Y185-T317 VanDerWaalsContact CE2-CG2 3.46Å; Y185-T317 HydrophobicContact CG-CG2 4.48Å; Y185-L318 HydrophobicContact CD1-CB 3.81Å; Y185-L318 HydrophobicContact CD1-CD1 4.31Å; Y185-L318 HydrophobicContact CE1-CB 4.2Å
186	E	98.1	Very high	96.8	Very high	51 Å²	51	56.5 Å²	56.5	24%	0.238	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-88.9	-0.6	179.5	-54.4	-54.3	132.6	0	0	112.9	L183 V184 P188 R321 K381	L183-E186 WeakPolarHBondContact O-CB 3.29Å; L183-E186 PolarHBondContact O-N 3.17Å; V184-E186 PolarHBondContact O-N 2.82Å; E186-P188 VanDerWaalsContact O-CD 3.24Å; E186-P188 WeakPolarHBondContact O-CD 3.33Å; E186-R321 IonicContact OE1-CZ 3.41Å; E186-R321 IonicContact OE1-NE 2.81Å; E186-R321 PolarHBondContact OE1-NE 2.81Å; E186-R321 IonicContact OE1-NH2 3.54Å; E186-R321 PolarHBondContact OE1-NH2 3.24Å; E186-R321 IonicContact OE2-CZ 3.36Å; E186-R321 IonicContact OE2-NE 2.96Å; E186-R321 IonicContact OE2-NH2 2.73Å; E186-R321 PolarHBondContact OE2-NH2 2.86Å; E186-K381 VanDerWaalsContact CD-CD 3.45Å; E186-K381 HydrophobicContact CG-CB 3.79Å; E186-K381 HydrophobicContact CG-CD 4.32Å; E186-K381 WeakPolarHBondContact OE2-CD 3.43Å; E186-K381 IonicContact OE2-NZ 2.79Å
187	N	98.3	Very high	97	Very high	78 Å²	78	52.6 Å²	52.6	42%	0.417	30%	0.297	S	S	.	.			trans	-70.1	115.7	174.4	-179.7	-21	0	0	0	110.5	V184 Y185 A189 L190 Q191	V184-N187 WeakPolarHBondContact O-CB 3.38Å; V184-N187 PolarHBondContact O-N 3.27Å; Y185-N187 VanDerWaalsContact C-N 3.34Å; N187-A189 PolarHBondContact O-N 2.8Å; N187-A189 PolarHBondContact OD1-N 2.82Å; N187-L190 HydrophobicContact CB-CB 3.91Å; N187-L190 WeakPolarHBondContact O-CB 3.32Å; N187-L190 PolarHBondContact O-N 3.32Å; N187-L190 VanDerWaalsContact O-N 3.13Å; N187-L190 PolarHBondContact OD1-N 2.93Å; N187-Q191 PolarHBondContact O-N 2.73Å
188	P	98.3	Very high	97.3	Very high	86 Å²	86	49.8 Å²	49.8	56%	0.558	28%	0.277	S	S	*	.	H	α-helix	trans	-61.5	-40.1	-176.4	-24.1	35.2	0	0	0	113.6	E186 L190 Q191 E192	E186-P188 VanDerWaalsContact O-CD 3.24Å; E186-P188 WeakPolarHBondContact O-CD 3.33Å; P188-L190 PolarHBondContact O-N 3.36Å; P188-Q191 PolarHBondContact O-N 3.46Å; P188-E192 WeakPolarHBondContact O-CG 3.45Å; P188-E192 PolarHBondContact O-N 3.02Å
189	A	98.4	Very high	97.4	Very high	51 Å²	51	51.1 Å²	51.1	42%	0.421	29%	0.286	S	S	.	.	H	α-helix	trans	-65.6	-31.8	179.1	0	0	0	0	0	111.8	N187 K193	N187-A189 PolarHBondContact O-N 2.8Å; N187-A189 PolarHBondContact OD1-N 2.82Å; A189-K193 WeakPolarHBondContact O-CG 3.45Å; A189-K193 PolarHBondContact O-N 3.44Å; A189-K193 VanDerWaalsContact O-N 3.17Å
190	L	98.4	Very high	97.5	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-74.1	-39.3	174.8	-179	58.2	0	0	0	111.6	V184 N187 P188 E192 K193 A194 P298 E299 L302 L318	V184-L190 HydrophobicContact CG2-CD2 4.07Å; N187-L190 HydrophobicContact CB-CB 3.91Å; N187-L190 WeakPolarHBondContact O-CB 3.32Å; N187-L190 PolarHBondContact O-N 3.32Å; N187-L190 VanDerWaalsContact O-N 3.13Å; N187-L190 PolarHBondContact OD1-N 2.93Å; P188-L190 PolarHBondContact O-N 3.36Å; L190-E192 VanDerWaalsContact C-N 3.32Å; L190-E192 PolarHBondContact O-N 2.91Å; L190-K193 PolarHBondContact O-N 2.86Å; L190-A194 PolarHBondContact O-N 3.13Å; L190-P298 HydrophobicContact CD2-CG 4.08Å; L190-E299 HydrophobicContact CD1-CB 3.54Å; L190-E299 HydrophobicContact CD1-CG 3.82Å; L190-L302 HydrophobicContact CD1-CD1 4.34Å; L190-L318 HydrophobicContact CD1-CD2 3.81Å; L190-L318 HydrophobicContact CD2-CD1 3.99Å; L190-L318 HydrophobicContact CD2-CD2 4.02Å; L190-L318 HydrophobicContact CG-CD1 3.8Å; L190-L318 HydrophobicContact CG-CD2 3.72Å; L190-L318 HydrophobicContact CG-CG 4.44Å
191	Q	98.8	Very high	97.7	Very high	40 Å²	40	52.7 Å²	52.7	19%	0.187	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-40.7	172.8	-70.5	-177.9	5	0	0	111.5	Y185 N187 P188 A194 L195 L318 A322	Y185-Q191 WeakPolarHBondContact O-CG 3.41Å; Y185-Q191 PolarHBondContact O-NE2 2.99Å; N187-Q191 PolarHBondContact O-N 2.73Å; P188-Q191 PolarHBondContact O-N 3.46Å; Q191-A194 PolarHBondContact O-N 3.33Å; Q191-L195 WeakPolarHBondContact O-CG 3.29Å; Q191-L195 PolarHBondContact O-N 2.89Å; Q191-L318 HydrophobicContact CG-CD1 4.46Å; Q191-A322 HydrophobicContact CB-CB 3.99Å; Q191-A322 HydrophobicContact CG-CB 4.2Å
192	E	98.5	Very high	97.8	Very high	133 Å²	133	54.7 Å²	54.7	62%	0.621	31%	0.305	S	S	*	.	H	α-helix	trans	-60.9	-44	174.2	-75.2	176	-173.6	0	0	112.3	P188 L190 A194 L195 A196	P188-E192 WeakPolarHBondContact O-CG 3.45Å; P188-E192 PolarHBondContact O-N 3.02Å; L190-E192 VanDerWaalsContact C-N 3.32Å; L190-E192 PolarHBondContact O-N 2.91Å; E192-A194 VanDerWaalsContact C-N 3.32Å; E192-A194 PolarHBondContact O-N 3.42Å; E192-L195 PolarHBondContact O-N 3.32Å; E192-A196 PolarHBondContact O-N 2.91Å
193	K	98.6	Very high	97.7	Very high	94 Å²	94	54.7 Å²	54.7	41%	0.409	30%	0.304	S	S	.	.	H	α-helix	trans	-60.9	-40.3	174	-73.2	175.7	-176.7	175.6	0	112.3	A189 L190 A196 C197 E299 L302	A189-K193 WeakPolarHBondContact O-CG 3.45Å; A189-K193 PolarHBondContact O-N 3.44Å; A189-K193 VanDerWaalsContact O-N 3.17Å; L190-K193 PolarHBondContact O-N 2.86Å; K193-A196 PolarHBondContact O-N 2.92Å; K193-C197 PolarHBondContact O-N 2.71Å; K193-C197 PolarHBondContact O-SG 2.86Å; K193-C197 VanDerWaalsContact O-SG 3.32Å; K193-E299 HydrophobicContact CD-CG 4.09Å; K193-E299 IonicContact NZ-OE1 3.03Å; K193-E299 PolarHBondContact NZ-OE1 3.38Å; K193-E299 IonicContact NZ-OE2 3.48Å; K193-E299 PolarHBondContact NZ-OE2 3.39Å; K193-L302 HydrophobicContact CB-CD1 4.22Å
194	A	98.6	Very high	97.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.1	-45.8	175.4	0	0	0	0	0	111.3	L190 Q191 E192 A196 C197 I198 L302 L318 A322	L190-A194 PolarHBondContact O-N 3.13Å; Q191-A194 PolarHBondContact O-N 3.33Å; E192-A194 VanDerWaalsContact C-N 3.32Å; E192-A194 PolarHBondContact O-N 3.42Å; A194-A196 VanDerWaalsContact C-N 3.27Å; A194-A196 PolarHBondContact O-N 2.95Å; A194-C197 WeakPolarHBondContact O-CB 3.47Å; A194-C197 PolarHBondContact O-N 3.49Å; A194-I198 WeakPolarHBondContact O-CG1 3.49Å; A194-I198 PolarHBondContact O-N 3.46Å; A194-L302 HydrophobicContact CB-CD1 4.08Å; A194-L302 HydrophobicContact CB-CD2 4.19Å; A194-L318 HydrophobicContact CB-CD2 4.09Å; A194-L318 HydrophobicContact CB-CG 3.98Å; A194-A322 HydrophobicContact CB-CB 3.78Å
195	L	98.5	Very high	97.4	Very high	62 Å²	62	58.1 Å²	58.1	33%	0.325	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-36.3	176.3	-74.2	172.8	0	0	0	112.6	Q191 E192 C197 I198 V200 A322 L323	Q191-L195 WeakPolarHBondContact O-CG 3.29Å; Q191-L195 PolarHBondContact O-N 2.89Å; E192-L195 PolarHBondContact O-N 3.32Å; L195-C197 PolarHBondContact O-N 3.37Å; L195-I198 PolarHBondContact O-N 3.27Å; L195-V200 HydrophobicContact CD2-CG2 3.97Å; L195-A322 HydrophobicContact CD2-CB 4.34Å; L195-A322 WeakPolarHBondContact CD2-O 3.32Å; L195-A322 HydrophobicContact CG-CB 4.1Å; L195-L323 HydrophobicContact CD2-CD2 3.97Å; L195-L323 HydrophobicContact CD2-CG 4.33Å
196	A	98.3	Very high	96.9	Very high	89 Å²	89	60.6 Å²	60.6	74%	0.736	32%	0.321	S	S	*	.	H	α-helix	trans	-64.2	-22.4	175.5	0	0	0	0	0	113.2	E192 K193 A194	E192-A196 PolarHBondContact O-N 2.91Å; K193-A196 PolarHBondContact O-N 2.92Å; A194-A196 VanDerWaalsContact C-N 3.27Å; A194-A196 PolarHBondContact O-N 2.95Å
197	C	98.1	Very high	96.5	Very high	38 Å²	38	58.2 Å²	58.2	26%	0.257	31%	0.31	S	S	.	.	H	α-helix	trans	-89.1	-26	176.4	-61.5	0	0	0	0	113.1	K193 A194 L195 W236 F241	K193-C197 PolarHBondContact O-N 2.71Å; K193-C197 PolarHBondContact O-SG 2.86Å; K193-C197 VanDerWaalsContact O-SG 3.32Å; A194-C197 WeakPolarHBondContact O-CB 3.47Å; A194-C197 PolarHBondContact O-N 3.49Å; L195-C197 PolarHBondContact O-N 3.37Å; C197-W236 WeakPolarHBondContact O-CZ2 3.33Å; C197-F241 HydrophobicContact CB-CE2 3.84Å; C197-F241 HydrophobicContact CB-CZ 4.01Å
198	I	98.4	Very high	96.1	Very high	10 Å²	10	59.7 Å²	59.7	5%	0.051	31%	0.314	C	S	.	.	S	Bend	trans	-85.9	131.8	-174.5	-60.9	162.2	0	0	0	109.4	A194 L195 V200 L203 L233 W236 C319 L323	A194-I198 WeakPolarHBondContact O-CG1 3.49Å; A194-I198 PolarHBondContact O-N 3.46Å; L195-I198 PolarHBondContact O-N 3.27Å; I198-V200 HydrophobicContact CB-CG2 3.95Å; I198-V200 HydrophobicContact CG2-CG2 3.8Å; I198-V200 WeakPolarHBondContact O-CG2 3.38Å; I198-V200 PolarHBondContact O-N 3.42Å; I198-L203 HydrophobicContact CG2-CD1 3.67Å; I198-L233 HydrophobicContact CG2-CD1 4.28Å; I198-W236 HydrophobicContact CB-CH2 4.17Å; I198-W236 HydrophobicContact CG1-CH2 3.58Å; I198-W236 HydrophobicContact CG1-CZ2 4.41Å; I198-W236 HydrophobicContact CG1-CZ3 3.83Å; I198-W236 HydrophobicContact CG2-CH2 4.47Å; I198-W236 HydrophobicContact CG2-CZ3 4.42Å; I198-C319 HydrophobicContact CD1-CB 3.92Å; I198-L323 HydrophobicContact CD1-CD1 4.32Å; I198-L323 HydrophobicContact CD1-CG 4.26Å; I198-L323 HydrophobicContact CG2-CD1 4.41Å
199	P	97.6	Very high	95.6	Very high	47 Å²	47	59.2 Å²	59.2	31%	0.305	31%	0.305	S	S	.	.			trans	-76.8	61.8	173.5	33	-34.9	0	0	0	111	Q201 E202 L203 W236	P199-Q201 VanDerWaalsContact C-N 3.28Å; P199-Q201 PolarHBondContact O-N 2.92Å; P199-Q201 VanDerWaalsContact O-N 3.12Å; P199-E202 HydrophobicContact CB-CB 4.33Å; P199-E202 PolarHBondContact O-N 2.81Å; P199-L203 HydrophobicContact CG-CD2 4.29Å; P199-L203 HydrophobicContact CG-CG 4.17Å; P199-L203 PolarHBondContact O-N 3.19Å; P199-W236 VanDerWaalsContact CD-NE1 3.28Å; P199-W236 HydrophobicContact CG-CD2 4.43Å; P199-W236 HydrophobicContact CG-CG 4.25Å
200	V	97	Very high	94.8	Very high	27 Å²	27	59.8 Å²	59.8	16%	0.164	30%	0.297	C	S	.	.	H	α-helix	trans	-52.5	-42.6	-167.4	-178.8	0	0	0	0	112.9	L195 I198 K204 L323	L195-V200 HydrophobicContact CD2-CG2 3.97Å; I198-V200 HydrophobicContact CB-CG2 3.95Å; I198-V200 HydrophobicContact CG2-CG2 3.8Å; I198-V200 WeakPolarHBondContact O-CG2 3.38Å; I198-V200 PolarHBondContact O-N 3.42Å; V200-K204 HydrophobicContact CG1-CD 4.09Å; V200-K204 HydrophobicContact CG1-CG 4.47Å; V200-K204 WeakPolarHBondContact O-CB 3.29Å; V200-K204 WeakPolarHBondContact O-CG 3.28Å; V200-K204 PolarHBondContact O-N 2.89Å; V200-L323 HydrophobicContact CB-CD2 4.49Å; V200-L323 HydrophobicContact CG1-CD2 3.86Å; V200-L323 HydrophobicContact CG2-CD2 3.94Å
201	Q	95.9	Very high	94.1	Very high	152 Å²	152	60.3 Å²	60.3	71%	0.71	30%	0.3	S	S	*	.	H	α-helix	trans	-65.8	-40.4	-178.7	-64.5	-63.3	-11.1	0	0	112	P199 R205	P199-Q201 VanDerWaalsContact C-N 3.28Å; P199-Q201 PolarHBondContact O-N 2.92Å; P199-Q201 VanDerWaalsContact O-N 3.12Å; Q201-R205 WeakPolarHBondContact O-CB 3.42Å; Q201-R205 PolarHBondContact O-N 3.44Å
202	E	94.1	Very high	93.4	Very high	72 Å²	72	61 Å²	61	34%	0.336	31%	0.31	S	S	.	.	H	α-helix	trans	-70.9	-41.5	179.5	178.4	57.9	-167.4	0	0	111.3	P199 K204 R205 K206	P199-E202 HydrophobicContact CB-CB 4.33Å; P199-E202 PolarHBondContact O-N 2.81Å; E202-K204 VanDerWaalsContact C-N 3.35Å; E202-K204 PolarHBondContact O-N 3.41Å; E202-R205 PolarHBondContact O-N 3.28Å; E202-R205 IonicContact OE1-CZ 3.74Å; E202-R205 IonicContact OE1-NE 2.81Å; E202-R205 IonicContact OE1-NH2 3.33Å; E202-R205 PolarHBondContact OE1-NH2 3.33Å; E202-R205 IonicContact OE2-CZ 3.62Å; E202-R205 IonicContact OE2-NE 3.92Å; E202-R205 PolarHBondContact OE2-NE 2.71Å; E202-R205 IonicContact OE2-NH2 3.37Å; E202-R205 PolarHBondContact OE2-NH2 3.42Å; E202-K206 WeakPolarHBondContact O-CG 3.33Å; E202-K206 PolarHBondContact O-N 2.96Å; E202-K206 WeakPolarHBondContact OE1-CE 3.44Å
203	L	95.4	Very high	92.4	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-62.2	-42.8	175.7	-57.8	-174.1	0	0	0	111.5	I198 P199 K206 S207 L229 E232 L233 W236	I198-L203 HydrophobicContact CG2-CD1 3.67Å; P199-L203 HydrophobicContact CG-CD2 4.29Å; P199-L203 HydrophobicContact CG-CG 4.17Å; P199-L203 PolarHBondContact O-N 3.19Å; L203-K206 PolarHBondContact O-N 2.91Å; L203-S207 WeakPolarHBondContact O-CB 3.4Å; L203-S207 PolarHBondContact O-N 3.34Å; L203-L229 HydrophobicContact CB-CD1 3.77Å; L203-E232 HydrophobicContact CB-CB 4.18Å; L203-E232 HydrophobicContact CD2-CB 4.14Å; L203-L233 HydrophobicContact CD1-CD1 4.02Å; L203-W236 HydrophobicContact CD1-CB 4.41Å; L203-W236 HydrophobicContact CD1-CD2 4.47Å; L203-W236 HydrophobicContact CD1-CG 4.43Å; L203-W236 HydrophobicContact CD2-CB 3.75Å; L203-W236 HydrophobicContact CD2-CG 4.14Å
204	K	94.8	Very high	91.1	Very high	84 Å²	84	57 Å²	57	37%	0.365	29%	0.287	S	S	.	.	H	α-helix	trans	-64.6	-38.1	174.8	-75.2	-177.8	177.1	-174.9	0	112.7	V200 E202 S207 Q208 L229	V200-K204 HydrophobicContact CG1-CD 4.09Å; V200-K204 HydrophobicContact CG1-CG 4.47Å; V200-K204 WeakPolarHBondContact O-CB 3.29Å; V200-K204 WeakPolarHBondContact O-CG 3.28Å; V200-K204 PolarHBondContact O-N 2.89Å; E202-K204 VanDerWaalsContact C-N 3.35Å; E202-K204 PolarHBondContact O-N 3.41Å; K204-S207 WeakPolarHBondContact CA-OG 3.29Å; K204-S207 PolarHBondContact O-N 3Å; K204-S207 PolarHBondContact O-OG 2.92Å; K204-Q208 WeakPolarHBondContact O-CB 3.45Å; K204-Q208 WeakPolarHBondContact O-CG 3.19Å; K204-Q208 PolarHBondContact O-N 2.96Å; K204-Q208 VanDerWaalsContact O-N 3.08Å; K204-L229 HydrophobicContact CG-CD1 3.98Å; K204-L229 HydrophobicContact CG-CD2 4.29Å
205	R	93.2	Very high	90.1	Very high	99 Å²	99	64.3 Å²	64.3	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-63	-48.2	175.3	-170.8	-166.2	66	71.3	5.2	110.7	Q201 E202 S207 Q208 E209	Q201-R205 WeakPolarHBondContact O-CB 3.42Å; Q201-R205 PolarHBondContact O-N 3.44Å; E202-R205 PolarHBondContact O-N 3.28Å; E202-R205 IonicContact OE1-CZ 3.74Å; E202-R205 IonicContact OE1-NE 2.81Å; E202-R205 IonicContact OE1-NH2 3.33Å; E202-R205 PolarHBondContact OE1-NH2 3.33Å; E202-R205 IonicContact OE2-CZ 3.62Å; E202-R205 IonicContact OE2-NE 3.92Å; E202-R205 PolarHBondContact OE2-NE 2.71Å; E202-R205 IonicContact OE2-NH2 3.37Å; E202-R205 PolarHBondContact OE2-NH2 3.42Å; R205-S207 PolarHBondContact O-N 2.87Å; R205-Q208 PolarHBondContact O-N 3.37Å; R205-E209 IonicContact CZ-OE1 2.81Å; R205-E209 IonicContact CZ-OE2 3.68Å; R205-E209 IonicContact NH1-OE1 3.94Å; R205-E209 PolarHBondContact NH1-OE1 3.25Å; R205-E209 IonicContact NH1-OE2 2.84Å; R205-E209 PolarHBondContact NH1-OE2 2.88Å; R205-E209 WeakPolarHBondContact O-CG 3.47Å; R205-E209 PolarHBondContact O-N 3.37Å
206	K	88.4	Confident	89	Confident	55 Å²	55	69.6 Å²	69.6	24%	0.239	33%	0.334	C	S	.	.	H	α-helix	trans	-62	-41.5	177.2	-70.2	-178.4	-175.8	178.1	0	111.9	E202 L203 E209 K210 E232	E202-K206 WeakPolarHBondContact O-CG 3.33Å; E202-K206 PolarHBondContact O-N 2.96Å; E202-K206 WeakPolarHBondContact OE1-CE 3.44Å; L203-K206 PolarHBondContact O-N 2.91Å; K206-E209 PolarHBondContact O-N 3.24Å; K206-K210 WeakPolarHBondContact O-CG 3.49Å; K206-K210 PolarHBondContact O-N 2.83Å; K206-E232 HydrophobicContact CB-CG 3.93Å; K206-E232 WeakPolarHBondContact CB-OE2 3.46Å; K206-E232 VanDerWaalsContact CD-OE2 3.3Å; K206-E232 WeakPolarHBondContact CD-OE2 3.15Å
207	S	90	Very high	87.3	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.3	-46.9	178.3	73.7	0	0	0	0	111.7	L203 K204 R205 E209 K210 L211 D225	L203-S207 WeakPolarHBondContact O-CB 3.4Å; L203-S207 PolarHBondContact O-N 3.34Å; K204-S207 WeakPolarHBondContact CA-OG 3.29Å; K204-S207 PolarHBondContact O-N 3Å; K204-S207 PolarHBondContact O-OG 2.92Å; R205-S207 PolarHBondContact O-N 2.87Å; S207-E209 PolarHBondContact O-N 3.49Å; S207-K210 PolarHBondContact O-N 2.93Å; S207-L211 WeakPolarHBondContact O-CB 3.3Å; S207-L211 PolarHBondContact O-N 3.28Å; S207-D225 PolarHBondContact OG-OD1 2.93Å
208	Q	89.3	Confident	85.5	Confident	110 Å²	110	71.7 Å²	71.7	51%	0.514	33%	0.33	S	S	.	.	H	α-helix	trans	-64	-41.2	178.8	-71.3	171.3	6.3	0	0	112	K204 R205 L211 S212 D225	K204-Q208 WeakPolarHBondContact O-CB 3.45Å; K204-Q208 WeakPolarHBondContact O-CG 3.19Å; K204-Q208 PolarHBondContact O-N 2.96Å; K204-Q208 VanDerWaalsContact O-N 3.08Å; R205-Q208 PolarHBondContact O-N 3.37Å; Q208-L211 PolarHBondContact O-N 3.3Å; Q208-S212 WeakPolarHBondContact O-CB 3.31Å; Q208-S212 PolarHBondContact O-N 3.1Å; Q208-D225 WeakPolarHBondContact CG-OD1 3.35Å
209	E	87	Confident	83.5	Confident	76 Å²	76	81 Å²	81	36%	0.355	37%	0.37	S	S	.	.	H	α-helix	trans	-61	-45.8	175	-77.2	-178.2	176.4	0	0	111.6	R205 K206 S207 S212 R213	R205-E209 IonicContact CZ-OE1 2.81Å; R205-E209 IonicContact CZ-OE2 3.68Å; R205-E209 IonicContact NH1-OE1 3.94Å; R205-E209 PolarHBondContact NH1-OE1 3.25Å; R205-E209 IonicContact NH1-OE2 2.84Å; R205-E209 PolarHBondContact NH1-OE2 2.88Å; R205-E209 WeakPolarHBondContact O-CG 3.47Å; R205-E209 PolarHBondContact O-N 3.37Å; K206-E209 PolarHBondContact O-N 3.24Å; S207-E209 PolarHBondContact O-N 3.49Å; E209-S212 PolarHBondContact O-N 3Å; E209-S212 PolarHBondContact O-OG 3.35Å; E209-R213 WeakPolarHBondContact O-CG 3.45Å; E209-R213 PolarHBondContact O-N 3.15Å
210	K	82.3	Confident	81.6	Confident	62 Å²	62	82 Å²	82	27%	0.27	39%	0.389	S	S	.	.	H	α-helix	trans	-64.8	-44.2	177.2	-73.2	-174.6	178.3	-175.1	0	112.2	K206 S207 S212 R213 V214 F228 E232 A468	K206-K210 WeakPolarHBondContact O-CG 3.49Å; K206-K210 PolarHBondContact O-N 2.83Å; S207-K210 PolarHBondContact O-N 2.93Å; K210-S212 VanDerWaalsContact C-N 3.34Å; K210-S212 PolarHBondContact O-N 3.3Å; K210-R213 WeakPolarHBondContact O-CB 3.35Å; K210-R213 PolarHBondContact O-N 3.31Å; K210-V214 PolarHBondContact O-N 3.39Å; K210-F228 HydrophobicContact CB-CD1 3.49Å; K210-F228 VanDerWaalsContact CB-CD1 3.49Å; K210-F228 HydrophobicContact CB-CE1 3.68Å; K210-F228 HydrophobicContact CB-CG 4.44Å; K210-F228 HydrophobicContact CD-CD1 4.3Å; K210-E232 WeakPolarHBondContact CD-OE1 3.47Å; K210-E232 WeakPolarHBondContact CE-OE1 3.5Å; K210-E232 IonicContact NZ-OE1 3.75Å; K210-E232 PolarHBondContact NZ-OE1 3.01Å; K210-A468 WeakPolarHBondContact CD-O 3.3Å; K210-A468 PolarHBondContact NZ-O 2.76Å
211	L	83.8	Confident	79.9	Confident	15 Å²	15	82.4 Å²	82.4	8%	0.079	39%	0.392	C	S	.	.	H	α-helix	trans	-60.3	-43.5	176.3	179.6	64.8	0	0	0	111.7	S207 Q208 R213 V214 R215 D225 F228	S207-L211 WeakPolarHBondContact O-CB 3.3Å; S207-L211 PolarHBondContact O-N 3.28Å; Q208-L211 PolarHBondContact O-N 3.3Å; L211-R213 PolarHBondContact O-N 3.46Å; L211-V214 PolarHBondContact O-N 3.2Å; L211-R215 HydrophobicContact CD1-CG 4.26Å; L211-R215 WeakPolarHBondContact O-CG 3.26Å; L211-R215 PolarHBondContact O-N 3.23Å; L211-D225 HydrophobicContact CD2-CB 3.91Å; L211-F228 HydrophobicContact CB-CD2 3.89Å; L211-F228 HydrophobicContact CB-CE2 4.03Å; L211-F228 HydrophobicContact CB-CG 4.4Å; L211-F228 HydrophobicContact CD1-CD2 3.83Å; L211-F228 HydrophobicContact CD1-CE2 3.48Å; L211-F228 VanDerWaalsContact CD1-CE2 3.48Å; L211-F228 HydrophobicContact CD1-CZ 4.43Å; L211-F228 HydrophobicContact CG-CD2 4.4Å; L211-F228 HydrophobicContact CG-CE2 4.36Å
212	S	83.5	Confident	78.7	Confident	55 Å²	55	80.5 Å²	80.5	39%	0.385	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-34.4	178.4	79.3	0	0	0	0	112.4	Q208 E209 K210 K216	Q208-S212 WeakPolarHBondContact O-CB 3.31Å; Q208-S212 PolarHBondContact O-N 3.1Å; E209-S212 PolarHBondContact O-N 3Å; E209-S212 PolarHBondContact O-OG 3.35Å; K210-S212 VanDerWaalsContact C-N 3.34Å; K210-S212 PolarHBondContact O-N 3.3Å; S212-K216 WeakPolarHBondContact O-CG 3.4Å
213	R	76.8	Confident	77.8	Confident	140 Å²	140	77.8 Å²	77.8	53%	0.528	38%	0.375	S	S	.	.	H	α-helix	trans	-71.4	-47.5	175.9	-68.2	171.2	-170.1	-172.3	4.8	110.6	E209 K210 L211 R215 K216 L217	E209-R213 WeakPolarHBondContact O-CG 3.45Å; E209-R213 PolarHBondContact O-N 3.15Å; K210-R213 WeakPolarHBondContact O-CB 3.35Å; K210-R213 PolarHBondContact O-N 3.31Å; L211-R213 PolarHBondContact O-N 3.46Å; R213-R215 PolarHBondContact O-N 3.37Å; R213-K216 WeakPolarHBondContact O-CB 3.23Å; R213-K216 PolarHBondContact O-N 3.36Å; R213-K216 VanDerWaalsContact O-N 3.14Å; R213-L217 PolarHBondContact O-N 3.47Å
214	V	72.9	Confident	77.3	Confident	3 Å²	3	79 Å²	79	2%	0.018	38%	0.383	C	S	.	.	H	α-helix	trans	-61.4	-44.1	-179.7	170.5	0	0	0	0	111.8	K210 L211 K216 L217 D218 T221 F228 A464 V467	K210-V214 PolarHBondContact O-N 3.39Å; L211-V214 PolarHBondContact O-N 3.2Å; V214-K216 PolarHBondContact O-N 3.46Å; V214-K216 VanDerWaalsContact O-N 3.15Å; V214-L217 PolarHBondContact O-N 3.38Å; V214-D218 PolarHBondContact O-N 3.48Å; V214-T221 HydrophobicContact CG1-CG2 4.14Å; V214-F228 HydrophobicContact CB-CZ 4.01Å; V214-F228 HydrophobicContact CG1-CZ 4.39Å; V214-F228 HydrophobicContact CG2-CE1 4.09Å; V214-F228 HydrophobicContact CG2-CZ 3.69Å; V214-A464 HydrophobicContact CG1-CB 3.79Å; V214-V467 HydrophobicContact CG2-CB 3.87Å; V214-V467 HydrophobicContact CG2-CG1 3.42Å; V214-V467 VanDerWaalsContact CG2-CG1 3.42Å
215	R	77.3	Confident	77	Confident	153 Å²	153	77.2 Å²	77.2	58%	0.577	38%	0.378	S	S	*	.	H	α-helix	trans	-61.2	-24.9	177.4	-73.4	180	174.8	177.4	-0.4	114	L211 R213	L211-R215 HydrophobicContact CD1-CG 4.26Å; L211-R215 WeakPolarHBondContact O-CG 3.26Å; L211-R215 PolarHBondContact O-N 3.23Å; R213-R215 PolarHBondContact O-N 3.37Å
216	K	74.3	Confident	76.9	Confident	172 Å²	172	77 Å²	77	75%	0.748	38%	0.381	S	S	*	.	H	α-helix	trans	-76.1	-31.8	174	-70.9	173.8	-177.3	-178.5	0	112.3	S212 R213 V214	S212-K216 WeakPolarHBondContact O-CG 3.4Å; R213-K216 WeakPolarHBondContact O-CB 3.23Å; R213-K216 PolarHBondContact O-N 3.36Å; R213-K216 VanDerWaalsContact O-N 3.14Å; V214-K216 PolarHBondContact O-N 3.46Å; V214-K216 VanDerWaalsContact O-N 3.15Å
217	L	63.5	Low	76.9	Confident	109 Å²	109	74.6 Å²	74.6	57%	0.571	37%	0.371	S	S	*	.	H	α-helix	trans	-88.5	-33.9	-176.7	-80.2	144.5	0	0	0	112.6	R213 V214 Q475	R213-L217 PolarHBondContact O-N 3.47Å; V214-L217 PolarHBondContact O-N 3.38Å; L217-Q475 HydrophobicContact CD2-CB 4.35Å; L217-Q475 HydrophobicContact CD2-CG 4.37Å
218	D	59.4	Low	77	Confident	62 Å²	62	74.6 Å²	74.6	33%	0.332	37%	0.371	S	S	.	.			trans	-141.1	103.6	179.7	-177.4	7	0	0	0	110.5	V214 G220 T221	V214-D218 PolarHBondContact O-N 3.48Å; D218-G220 PolarHBondContact O-N 3.16Å; D218-G220 PolarHBondContact OD1-N 3.27Å; D218-T221 WeakPolarHBondContact CB-OG1 3.43Å; D218-T221 PolarHBondContact OD2-OG1 2.99Å
219	K	57.6	Low	77.3	Confident	207 Å²	207	69.8 Å²	69.8	90%	0.9	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-11.7	-179.5	-70.1	-176.1	179.2	179.7	0	113.3
220	G	57.6	Low	77.8	Confident	68 Å²	68	66.2 Å²	66.2	70%	0.701	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	1.3	-177.3	0	0	0	0	0	115	D218 N222	D218-G220 PolarHBondContact O-N 3.16Å; D218-G220 PolarHBondContact OD1-N 3.27Å; G220-N222 PolarHBondContact O-N 3.09Å
221	T	61.7	Low	78.2	Confident	35 Å²	35	63.8 Å²	63.8	22%	0.215	32%	0.322	C	S	.	.			trans	-68.1	122.7	-176.8	-73.9	0	0	0	0	112.3	V214 D218 V223 A464	V214-T221 HydrophobicContact CG1-CG2 4.14Å; D218-T221 WeakPolarHBondContact CB-OG1 3.43Å; D218-T221 PolarHBondContact OD2-OG1 2.99Å; T221-V223 HydrophobicContact CG2-CB 3.58Å; T221-V223 HydrophobicContact CG2-CG2 3.32Å; T221-V223 PolarHBondContact O-N 3.47Å; T221-A464 HydrophobicContact CG2-CB 3.25Å
222	N	70.6	Confident	78.7	Confident	112 Å²	112	63.3 Å²	63.3	60%	0.599	32%	0.319	S	S	*	.			trans	-88.2	65	171.9	-169.7	20.7	0	0	0	112.2	G220 S345	G220-N222 PolarHBondContact O-N 3.09Å; N222-S345 PolarHBondContact ND2-O 2.83Å; N222-S345 PolarHBondContact OD1-O 3.39Å
223	V	75	Confident	79.4	Confident	15 Å²	15	60.7 Å²	60.7	9%	0.091	30%	0.301	C	S	.	.			trans	-129.1	136.2	179.2	-178.1	0	0	0	0	109.2	T221 D227 F228 A464 W465	T221-V223 HydrophobicContact CG2-CB 3.58Å; T221-V223 HydrophobicContact CG2-CG2 3.32Å; T221-V223 PolarHBondContact O-N 3.47Å; V223-D227 HydrophobicContact CG1-CB 3.57Å; V223-F228 HydrophobicContact CB-CE2 4.24Å; V223-F228 HydrophobicContact CG1-CD2 3.86Å; V223-F228 HydrophobicContact CG1-CE2 3.43Å; V223-F228 VanDerWaalsContact CG1-CE2 3.43Å; V223-F228 HydrophobicContact CG1-CZ 4.28Å; V223-A464 HydrophobicContact CG2-CB 3.93Å; V223-W465 HydrophobicContact CG1-CZ2 4.44Å
224	S	84.8	Confident	80.3	Confident	26 Å²	26	54 Å²	54	18%	0.182	28%	0.275	C	S	.	.			trans	-98.5	167.9	-176.5	64.9	0	0	0	0	112.7	E226 D227 F228 S345	S224-E226 PolarHBondContact O-N 3.09Å; S224-E226 PolarHBondContact OG-N 2.62Å; S224-D227 PolarHBondContact N-OD2 3.44Å; S224-D227 WeakPolarHBondContact O-CB 3.34Å; S224-D227 PolarHBondContact O-N 3.35Å; S224-D227 PolarHBondContact OG-N 2.82Å; S224-D227 PolarHBondContact OG-OD2 3.08Å; S224-F228 WeakPolarHBondContact O-CD2 3.29Å; S224-F228 PolarHBondContact O-N 2.71Å; S224-S345 VanDerWaalsContact CB-OG 3.24Å; S224-S345 WeakPolarHBondContact CB-OG 3.43Å; S224-S345 PolarHBondContact N-OG 3.09Å; S224-S345 PolarHBondContact OG-OG 3.23Å
225	D	87.8	Confident	81.2	Confident	48 Å²	48	57.1 Å²	57.1	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-34.2	170.8	-175.3	51.7	0	0	0	112	S207 Q208 L211 D227 F228 L229	S207-D225 PolarHBondContact OG-OD1 2.93Å; Q208-D225 WeakPolarHBondContact CG-OD1 3.35Å; L211-D225 HydrophobicContact CD2-CB 3.91Å; D225-D227 VanDerWaalsContact C-N 3.34Å; D225-D227 PolarHBondContact O-N 2.92Å; D225-F228 PolarHBondContact O-N 2.97Å; D225-L229 WeakPolarHBondContact O-CB 3.19Å; D225-L229 PolarHBondContact O-N 3.12Å
226	E	91.2	Very high	82.1	Confident	94 Å²	94	50.4 Å²	50.4	44%	0.439	26%	0.264	S	S	.	.	H	α-helix	trans	-61.9	-39.9	176.5	-66.8	-179.7	-175.7	0	0	112	S224 F228 L229 L230 F325	S224-E226 PolarHBondContact O-N 3.09Å; S224-E226 PolarHBondContact OG-N 2.62Å; E226-F228 VanDerWaalsContact C-N 3.33Å; E226-F228 PolarHBondContact O-N 3.04Å; E226-L229 PolarHBondContact O-N 2.93Å; E226-L230 PolarHBondContact O-N 2.79Å; E226-F325 HydrophobicContact CB-CE1 3.99Å; E226-F325 WeakPolarHBondContact O-CE1 3.15Å; E226-F325 WeakPolarHBondContact O-CZ 3.49Å
227	D	89.9	Confident	83.2	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-39.4	175.4	-70.1	-21.8	0	0	0	111.9	V223 S224 D225 L231 S343 S345 W465	V223-D227 HydrophobicContact CG1-CB 3.57Å; S224-D227 PolarHBondContact N-OD2 3.44Å; S224-D227 WeakPolarHBondContact O-CB 3.34Å; S224-D227 PolarHBondContact O-N 3.35Å; S224-D227 PolarHBondContact OG-N 2.82Å; S224-D227 PolarHBondContact OG-OD2 3.08Å; D225-D227 VanDerWaalsContact C-N 3.34Å; D225-D227 PolarHBondContact O-N 2.92Å; D227-L231 PolarHBondContact O-N 3.21Å; D227-S343 VanDerWaalsContact CG-OG 3.3Å; D227-S343 VanDerWaalsContact OD1-CB 3.26Å; D227-S343 WeakPolarHBondContact OD1-CB 3.42Å; D227-S343 PolarHBondContact OD1-OG 2.95Å; D227-S343 PolarHBondContact OD2-OG 3.4Å; D227-S345 VanDerWaalsContact CG-OG 3.24Å; D227-S345 PolarHBondContact OD1-OG 3.2Å; D227-S345 PolarHBondContact OD2-OG 3.25Å; D227-W465 HydrophobicContact CB-CH2 3.69Å; D227-W465 HydrophobicContact CB-CZ2 3.67Å
228	F	90.4	Very high	84.3	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-72.9	-37.6	175.4	-77.8	-89.3	0	0	0	111.9	K210 L211 V214 V223 S224 D225 E226 L230 L231 E232 A468	K210-F228 HydrophobicContact CB-CD1 3.49Å; K210-F228 VanDerWaalsContact CB-CD1 3.49Å; K210-F228 HydrophobicContact CB-CE1 3.68Å; K210-F228 HydrophobicContact CB-CG 4.44Å; K210-F228 HydrophobicContact CD-CD1 4.3Å; L211-F228 HydrophobicContact CB-CD2 3.89Å; L211-F228 HydrophobicContact CB-CE2 4.03Å; L211-F228 HydrophobicContact CB-CG 4.4Å; L211-F228 HydrophobicContact CD1-CD2 3.83Å; L211-F228 HydrophobicContact CD1-CE2 3.48Å; L211-F228 VanDerWaalsContact CD1-CE2 3.48Å; L211-F228 HydrophobicContact CD1-CZ 4.43Å; L211-F228 HydrophobicContact CG-CD2 4.4Å; L211-F228 HydrophobicContact CG-CE2 4.36Å; V214-F228 HydrophobicContact CB-CZ 4.01Å; V214-F228 HydrophobicContact CG1-CZ 4.39Å; V214-F228 HydrophobicContact CG2-CE1 4.09Å; V214-F228 HydrophobicContact CG2-CZ 3.69Å; V223-F228 HydrophobicContact CB-CE2 4.24Å; V223-F228 HydrophobicContact CG1-CD2 3.86Å; V223-F228 HydrophobicContact CG1-CE2 3.43Å; V223-F228 VanDerWaalsContact CG1-CE2 3.43Å; V223-F228 HydrophobicContact CG1-CZ 4.28Å; S224-F228 WeakPolarHBondContact O-CD2 3.29Å; S224-F228 PolarHBondContact O-N 2.71Å; D225-F228 PolarHBondContact O-N 2.97Å; E226-F228 VanDerWaalsContact C-N 3.33Å; E226-F228 PolarHBondContact O-N 3.04Å; F228-L230 VanDerWaalsContact C-N 3.26Å; F228-L230 PolarHBondContact O-N 2.99Å; F228-L231 WeakPolarHBondContact O-CB 3.41Å; F228-L231 PolarHBondContact O-N 3.33Å; F228-L231 VanDerWaalsContact O-N 3.14Å; F228-E232 PolarHBondContact O-N 3.33Å; F228-A468 HydrophobicContact CD1-CB 3.62Å; F228-A468 HydrophobicContact CE1-CB 3.15Å; F228-A468 HydrophobicContact CZ-CB 3.93Å
229	L	96.1	Very high	85.6	Confident	10 Å²	10	41.7 Å²	41.7	5%	0.052	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-38.3	175.6	178.5	62.5	0	0	0	111.2	L203 K204 D225 E226 L231 E232 L233 F325	L203-L229 HydrophobicContact CB-CD1 3.77Å; K204-L229 HydrophobicContact CG-CD1 3.98Å; K204-L229 HydrophobicContact CG-CD2 4.29Å; D225-L229 WeakPolarHBondContact O-CB 3.19Å; D225-L229 PolarHBondContact O-N 3.12Å; E226-L229 PolarHBondContact O-N 2.93Å; L229-L231 VanDerWaalsContact C-N 3.33Å; L229-L231 PolarHBondContact O-N 3.05Å; L229-E232 PolarHBondContact O-N 2.95Å; L229-L233 WeakPolarHBondContact O-CB 3.38Å; L229-L233 PolarHBondContact O-N 2.54Å; L229-F325 HydrophobicContact CB-CZ 4.09Å; L229-F325 HydrophobicContact CD2-CE2 4.2Å; L229-F325 HydrophobicContact CD2-CZ 3.96Å; L229-F325 HydrophobicContact CG-CE2 4.24Å; L229-F325 HydrophobicContact CG-CZ 3.94Å
230	L	96.9	Very high	87.1	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-61	-40.4	174	176.6	61.3	0	0	0	112.3	E226 F228 L233 L234 F316 F325 V341 L350	E226-L230 PolarHBondContact O-N 2.79Å; F228-L230 VanDerWaalsContact C-N 3.26Å; F228-L230 PolarHBondContact O-N 2.99Å; L230-L233 PolarHBondContact O-N 3.38Å; L230-L234 PolarHBondContact O-N 2.92Å; L230-F316 HydrophobicContact CD1-CZ 4.37Å; L230-F325 HydrophobicContact CB-CE1 4.23Å; L230-F325 HydrophobicContact CB-CZ 4.07Å; L230-V341 HydrophobicContact CD1-CB 4.16Å; L230-V341 HydrophobicContact CD1-CG1 4.23Å; L230-V341 HydrophobicContact CD1-CG2 3.81Å; L230-V341 HydrophobicContact CD2-CB 3.82Å; L230-V341 HydrophobicContact CD2-CG1 3.84Å; L230-V341 HydrophobicContact CD2-CG2 4.38Å; L230-L350 HydrophobicContact CD2-CD1 4.22Å
231	L	91.5	Very high	88.9	Confident	10 Å²	10	33.8 Å²	33.8	5%	0.052	17%	0.168	C	C	.	.	H	α-helix	trans	-67.9	-42.2	176	-68.7	175.9	0	0	0	112.4	D227 F228 L229 L233 L234 H235 C359 W465 A468 R469	D227-L231 PolarHBondContact O-N 3.21Å; F228-L231 WeakPolarHBondContact O-CB 3.41Å; F228-L231 PolarHBondContact O-N 3.33Å; F228-L231 VanDerWaalsContact O-N 3.14Å; L229-L231 VanDerWaalsContact C-N 3.33Å; L229-L231 PolarHBondContact O-N 3.05Å; L231-L233 VanDerWaalsContact C-N 3.26Å; L231-L233 PolarHBondContact O-N 3.07Å; L231-L234 HydrophobicContact CD2-CD1 4.49Å; L231-L234 PolarHBondContact O-N 3.18Å; L231-H235 WeakPolarHBondContact O-CB 3.48Å; L231-H235 PolarHBondContact O-N 3.24Å; L231-C359 HydrophobicContact CD2-CB 3.58Å; L231-W465 HydrophobicContact CD1-CE3 3.74Å; L231-W465 HydrophobicContact CD1-CZ3 3.64Å; L231-W465 HydrophobicContact CD2-CE3 4.09Å; L231-W465 HydrophobicContact CD2-CZ3 3.69Å; L231-W465 HydrophobicContact CG-CE3 4.2Å; L231-W465 HydrophobicContact CG-CZ3 3.66Å; L231-A468 HydrophobicContact CD1-CB 3.32Å; L231-R469 HydrophobicContact CD1-CG 4.2Å; L231-R469 HydrophobicContact CD2-CG 4.03Å
232	E	94.9	Very high	90.4	Very high	5 Å²	5	32.2 Å²	32.2	2%	0.023	16%	0.158	C	C	.	.	H	α-helix	trans	-63.1	-36.8	174.4	-65.9	-49.6	120.4	0	0	111.5	L203 K206 K210 F228 L229 H235 W236	L203-E232 HydrophobicContact CB-CB 4.18Å; L203-E232 HydrophobicContact CD2-CB 4.14Å; K206-E232 HydrophobicContact CB-CG 3.93Å; K206-E232 WeakPolarHBondContact CB-OE2 3.46Å; K206-E232 VanDerWaalsContact CD-OE2 3.3Å; K206-E232 WeakPolarHBondContact CD-OE2 3.15Å; K210-E232 WeakPolarHBondContact CD-OE1 3.47Å; K210-E232 WeakPolarHBondContact CE-OE1 3.5Å; K210-E232 IonicContact NZ-OE1 3.75Å; K210-E232 PolarHBondContact NZ-OE1 3.01Å; F228-E232 PolarHBondContact O-N 3.33Å; L229-E232 PolarHBondContact O-N 2.95Å; E232-H235 PolarHBondContact O-N 2.65Å; E232-W236 VanDerWaalsContact O-CB 3.29Å; E232-W236 WeakPolarHBondContact O-CB 3.24Å; E232-W236 PolarHBondContact O-N 2.73Å
233	L	98.1	Very high	91	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.8	-45.8	176.6	-174.4	67.5	0	0	0	111.8	I198 L203 L229 L230 L231 H235 W236 F237 F316 C319 L323	I198-L233 HydrophobicContact CG2-CD1 4.28Å; L203-L233 HydrophobicContact CD1-CD1 4.02Å; L229-L233 WeakPolarHBondContact O-CB 3.38Å; L229-L233 PolarHBondContact O-N 2.54Å; L230-L233 PolarHBondContact O-N 3.38Å; L231-L233 VanDerWaalsContact C-N 3.26Å; L231-L233 PolarHBondContact O-N 3.07Å; L233-H235 VanDerWaalsContact C-N 3.34Å; L233-W236 HydrophobicContact CD1-CE3 3.79Å; L233-W236 HydrophobicContact CD1-CZ3 3.92Å; L233-F237 WeakPolarHBondContact O-CB 3.43Å; L233-F237 PolarHBondContact O-N 3.11Å; L233-F316 HydrophobicContact CD2-CE2 4Å; L233-F316 HydrophobicContact CD2-CZ 4.17Å; L233-F316 HydrophobicContact CG-CE2 3.83Å; L233-F316 HydrophobicContact CG-CZ 4.37Å; L233-C319 HydrophobicContact CD1-CB 4.45Å; L233-C319 HydrophobicContact CD2-CB 4.48Å; L233-L323 HydrophobicContact CD1-CD1 3.61Å; L233-L323 HydrophobicContact CD2-CD1 3.71Å; L233-L323 HydrophobicContact CG-CD1 4.16Å
234	L	95.2	Very high	91.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.2	-49.1	175.1	-80.4	165.6	0	0	0	111.2	L230 L231 F237 K238 F316 C352 A354 D357 C359	L230-L234 PolarHBondContact O-N 2.92Å; L231-L234 HydrophobicContact CD2-CD1 4.49Å; L231-L234 PolarHBondContact O-N 3.18Å; L234-F237 PolarHBondContact O-N 3.06Å; L234-K238 PolarHBondContact O-N 2.86Å; L234-K238 VanDerWaalsContact O-N 3.11Å; L234-F316 HydrophobicContact CD2-CE1 3.8Å; L234-F316 HydrophobicContact CD2-CE2 3.78Å; L234-F316 HydrophobicContact CD2-CZ 3.32Å; L234-F316 HydrophobicContact CG-CE1 4.45Å; L234-F316 HydrophobicContact CG-CE2 4.1Å; L234-F316 HydrophobicContact CG-CZ 3.62Å; L234-C352 HydrophobicContact CD2-CB 4.4Å; L234-A354 HydrophobicContact CD2-CB 4.06Å; L234-D357 WeakPolarHBondContact CB-OD1 3.34Å; L234-C359 HydrophobicContact CD1-CB 3.65Å
235	H	90.7	Very high	91	Very high	69 Å²	69	36.8 Å²	36.8	32%	0.319	17%	0.168	S	C	.	.	H	α-helix	trans	-63.6	-49.7	-177.7	-172.9	64.1	0	0	0	112	L231 E232 L233 F237 K238 E239 D357	L231-H235 WeakPolarHBondContact O-CB 3.48Å; L231-H235 PolarHBondContact O-N 3.24Å; E232-H235 PolarHBondContact O-N 2.65Å; L233-H235 VanDerWaalsContact C-N 3.34Å; H235-F237 VanDerWaalsContact C-N 3.31Å; H235-F237 PolarHBondContact O-N 3.02Å; H235-K238 PolarHBondContact O-N 2.81Å; H235-E239 WeakPolarHBondContact O-CB 3.42Å; H235-E239 WeakPolarHBondContact O-CG 3.34Å; H235-E239 PolarHBondContact O-N 2.96Å; H235-D357 PolarHBondContact N-OD1 3.04Å; H235-D357 IonicContact ND1-OD2 3.7Å
236	W	97.1	Very high	90.2	Very high	12 Å²	12	39 Å²	39	5%	0.045	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-42	175.6	164.1	78.6	0	0	0	112	C197 I198 P199 L203 E232 L233 K238 E240 F241	C197-W236 WeakPolarHBondContact O-CZ2 3.33Å; I198-W236 HydrophobicContact CB-CH2 4.17Å; I198-W236 HydrophobicContact CG1-CH2 3.58Å; I198-W236 HydrophobicContact CG1-CZ2 4.41Å; I198-W236 HydrophobicContact CG1-CZ3 3.83Å; I198-W236 HydrophobicContact CG2-CH2 4.47Å; I198-W236 HydrophobicContact CG2-CZ3 4.42Å; P199-W236 VanDerWaalsContact CD-NE1 3.28Å; P199-W236 HydrophobicContact CG-CD2 4.43Å; P199-W236 HydrophobicContact CG-CG 4.25Å; L203-W236 HydrophobicContact CD1-CB 4.41Å; L203-W236 HydrophobicContact CD1-CD2 4.47Å; L203-W236 HydrophobicContact CD1-CG 4.43Å; L203-W236 HydrophobicContact CD2-CB 3.75Å; L203-W236 HydrophobicContact CD2-CG 4.14Å; E232-W236 VanDerWaalsContact O-CB 3.29Å; E232-W236 WeakPolarHBondContact O-CB 3.24Å; E232-W236 PolarHBondContact O-N 2.73Å; L233-W236 HydrophobicContact CD1-CE3 3.79Å; L233-W236 HydrophobicContact CD1-CZ3 3.92Å; W236-K238 VanDerWaalsContact C-N 3.31Å; W236-K238 PolarHBondContact O-N 3.37Å; W236-E240 WeakPolarHBondContact O-CB 3.43Å; W236-E240 PolarHBondContact O-N 2.82Å; W236-F241 HydrophobicContact CD2-CB 4.16Å; W236-F241 HydrophobicContact CE3-CB 4.31Å; W236-F241 HydrophobicContact CH2-CB 3.77Å; W236-F241 AromaticContact CH2-CD1 3.68Å; W236-F241 HydrophobicContact CH2-CD1 3.68Å; W236-F241 AromaticContact CH2-CD2 3.62Å; W236-F241 HydrophobicContact CH2-CD2 3.62Å; W236-F241 HydrophobicContact CH2-CE1 4.14Å; W236-F241 HydrophobicContact CH2-CE2 4.09Å; W236-F241 AromaticContact CH2-CG 3.4Å; W236-F241 HydrophobicContact CH2-CG 3.4Å; W236-F241 HydrophobicContact CH2-CZ 4.33Å; W236-F241 HydrophobicContact CZ2-CB 3.57Å; W236-F241 HydrophobicContact CZ2-CD1 4.23Å; W236-F241 AromaticContact CZ2-CD2 3.39Å; W236-F241 HydrophobicContact CZ2-CD2 3.39Å; W236-F241 HydrophobicContact CZ2-CE2 4.11Å; W236-F241 AromaticContact CZ2-CG 3.47Å; W236-F241 HydrophobicContact CZ2-CG 3.47Å; W236-F241 VanDerWaalsContact CZ2-CG 3.47Å; W236-F241 HydrophobicContact CZ3-CB 4.14Å; W236-F241 HydrophobicContact CZ3-CD1 4.13Å; W236-F241 HydrophobicContact CZ3-CG 4.08Å; W236-F241 PolarHBondContact O-N 2.85Å
237	F	97.1	Very high	89.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-61	-43.6	-178	-169.7	-87.8	0	0	0	111.2	L233 L234 H235 F241 F242 W312 C315 F316 A354	L233-F237 WeakPolarHBondContact O-CB 3.43Å; L233-F237 PolarHBondContact O-N 3.11Å; L234-F237 PolarHBondContact O-N 3.06Å; H235-F237 VanDerWaalsContact C-N 3.31Å; H235-F237 PolarHBondContact O-N 3.02Å; F237-F241 AromaticContact CD2-CD1 3.71Å; F237-F241 HydrophobicContact CD2-CD1 3.71Å; F237-F241 HydrophobicContact CD2-CE1 4.41Å; F237-F241 AromaticContact CE2-CD1 3.67Å; F237-F241 HydrophobicContact CE2-CD1 3.67Å; F237-F241 HydrophobicContact CE2-CE1 4.02Å; F237-F241 HydrophobicContact CZ-CD1 4.47Å; F237-F242 HydrophobicContact CD1-CB 3.82Å; F237-F242 HydrophobicContact CE1-CB 3.39Å; F237-F242 HydrophobicContact CE1-CD1 4.1Å; F237-F242 HydrophobicContact CE1-CD2 4.13Å; F237-F242 AromaticContact CE1-CG 3.63Å; F237-F242 HydrophobicContact CE1-CG 3.63Å; F237-F242 HydrophobicContact CE2-CB 4.3Å; F237-F242 HydrophobicContact CE2-CD2 4.11Å; F237-F242 HydrophobicContact CE2-CG 4.39Å; F237-F242 HydrophobicContact CG-CB 4.42Å; F237-F242 HydrophobicContact CZ-CB 3.66Å; F237-F242 HydrophobicContact CZ-CD1 4.22Å; F237-F242 AromaticContact CZ-CD2 3.54Å; F237-F242 HydrophobicContact CZ-CD2 3.54Å; F237-F242 HydrophobicContact CZ-CE2 4.2Å; F237-F242 AromaticContact CZ-CG 3.54Å; F237-F242 HydrophobicContact CZ-CG 3.54Å; F237-F242 WeakPolarHBondContact O-CB 3.46Å; F237-F242 PolarHBondContact O-N 2.97Å; F237-W312 AromaticContact CD1-CE3 3.77Å; F237-W312 HydrophobicContact CD1-CE3 3.77Å; F237-W312 AromaticContact CD1-CZ3 3.85Å; F237-W312 HydrophobicContact CD1-CZ3 3.85Å; F237-W312 HydrophobicContact CE1-CB 4.5Å; F237-W312 HydrophobicContact CE1-CD2 4.1Å; F237-W312 AromaticContact CE1-CE3 3.51Å; F237-W312 HydrophobicContact CE1-CE3 3.51Å; F237-W312 HydrophobicContact CE1-CZ3 4Å; F237-C315 HydrophobicContact CE2-CB 4.22Å; F237-C315 HydrophobicContact CZ-CB 3.96Å; F237-F316 HydrophobicContact CB-CD2 3.9Å; F237-F316 HydrophobicContact CB-CE2 4.19Å; F237-F316 HydrophobicContact CD1-CB 4.44Å; F237-F316 HydrophobicContact CD1-CD2 4.11Å; F237-F316 HydrophobicContact CD2-CB 4.36Å; F237-F316 AromaticContact CD2-CD2 3.82Å; F237-F316 HydrophobicContact CD2-CD2 3.82Å; F237-F316 HydrophobicContact CE1-CB 4.15Å; F237-F316 HydrophobicContact CE2-CB 4.06Å; F237-F316 HydrophobicContact CE2-CD2 4.36Å; F237-F316 AromaticContact CG-CD2 3.67Å; F237-F316 HydrophobicContact CG-CD2 3.67Å; F237-F316 HydrophobicContact CG-CE2 4.45Å; F237-F316 HydrophobicContact CZ-CB 3.96Å; F237-A354 HydrophobicContact CD1-CB 3.94Å; F237-A354 HydrophobicContact CE1-CB 4.27Å
238	K	87.9	Confident	89.5	Confident	62 Å²	62	39 Å²	39	27%	0.27	18%	0.182	S	C	.	.	I	π-helix	trans	-76.2	-44.9	-179.4	-177.9	174.9	-177.3	147	0	113.9	L234 H235 W236 W312 C355 E356 D357	L234-K238 PolarHBondContact O-N 2.86Å; L234-K238 VanDerWaalsContact O-N 3.11Å; H235-K238 PolarHBondContact O-N 2.81Å; W236-K238 VanDerWaalsContact C-N 3.31Å; W236-K238 PolarHBondContact O-N 3.37Å; K238-W312 HydrophobicContact CB-CH2 4.37Å; K238-W312 HydrophobicContact CB-CZ3 4.05Å; K238-W312 HydrophobicContact CG-CH2 4.12Å; K238-W312 HydrophobicContact CG-CZ3 4.14Å; K238-C355 WeakPolarHBondContact CE-O 3.46Å; K238-C355 PolarHBondContact NZ-O 2.74Å; K238-E356 VanDerWaalsContact NZ-C 3.28Å; K238-E356 PolarHBondContact NZ-O 3.35Å; K238-D357 HydrophobicContact CB-CB 4.26Å; K238-D357 HydrophobicContact CD-CB 3.36Å; K238-D357 HydrophobicContact CG-CB 4.43Å
239	E	85.9	Confident	89.4	Confident	97 Å²	97	43.8 Å²	43.8	45%	0.453	21%	0.208	S	C	.	.	I	π-helix	trans	-89.7	-23.4	-168.3	-59.4	-65.8	153.3	0	0	112.9	H235	H235-E239 WeakPolarHBondContact O-CB 3.42Å; H235-E239 WeakPolarHBondContact O-CG 3.34Å; H235-E239 PolarHBondContact O-N 2.96Å
240	E	88.9	Confident	89.3	Confident	106 Å²	106	43.5 Å²	43.5	50%	0.495	21%	0.206	S	C	.	.	I	π-helix	trans	-125.3	-36	-172.3	-59.5	-179	-144.3	0	0	113.6	W236	W236-E240 WeakPolarHBondContact O-CB 3.43Å; W236-E240 PolarHBondContact O-N 2.82Å
241	F	95.8	Very high	89.2	Confident	4 Å²	4	48 Å²	48	2%	0.018	24%	0.238	C	C	.	.	I	π-helix	trans	-96.2	-47.6	-168.2	-171.4	-116.7	0	0	0	114.4	C197 W236 F237 L302 R305	C197-F241 HydrophobicContact CB-CE2 3.84Å; C197-F241 HydrophobicContact CB-CZ 4.01Å; W236-F241 HydrophobicContact CD2-CB 4.16Å; W236-F241 HydrophobicContact CE3-CB 4.31Å; W236-F241 HydrophobicContact CH2-CB 3.77Å; W236-F241 AromaticContact CH2-CD1 3.68Å; W236-F241 HydrophobicContact CH2-CD1 3.68Å; W236-F241 AromaticContact CH2-CD2 3.62Å; W236-F241 HydrophobicContact CH2-CD2 3.62Å; W236-F241 HydrophobicContact CH2-CE1 4.14Å; W236-F241 HydrophobicContact CH2-CE2 4.09Å; W236-F241 AromaticContact CH2-CG 3.4Å; W236-F241 HydrophobicContact CH2-CG 3.4Å; W236-F241 HydrophobicContact CH2-CZ 4.33Å; W236-F241 HydrophobicContact CZ2-CB 3.57Å; W236-F241 HydrophobicContact CZ2-CD1 4.23Å; W236-F241 AromaticContact CZ2-CD2 3.39Å; W236-F241 HydrophobicContact CZ2-CD2 3.39Å; W236-F241 HydrophobicContact CZ2-CE2 4.11Å; W236-F241 AromaticContact CZ2-CG 3.47Å; W236-F241 HydrophobicContact CZ2-CG 3.47Å; W236-F241 VanDerWaalsContact CZ2-CG 3.47Å; W236-F241 HydrophobicContact CZ3-CB 4.14Å; W236-F241 HydrophobicContact CZ3-CD1 4.13Å; W236-F241 HydrophobicContact CZ3-CG 4.08Å; W236-F241 PolarHBondContact O-N 2.85Å; F237-F241 AromaticContact CD2-CD1 3.71Å; F237-F241 HydrophobicContact CD2-CD1 3.71Å; F237-F241 HydrophobicContact CD2-CE1 4.41Å; F237-F241 AromaticContact CE2-CD1 3.67Å; F237-F241 HydrophobicContact CE2-CD1 3.67Å; F237-F241 HydrophobicContact CE2-CE1 4.02Å; F237-F241 HydrophobicContact CZ-CD1 4.47Å; F241-L302 HydrophobicContact CE1-CD2 4.25Å; F241-L302 HydrophobicContact CZ-CD2 3.95Å; F241-R305 HydrophobicContact CE2-CG 4.11Å; F241-R305 HydrophobicContact CZ-CG 4.17Å; F241-R305 WeakPolarHBondContact O-CB 3.44Å
242	F	92.9	Very high	89.4	Confident	1 Å²	1	53.9 Å²	53.9	0%	0.004	26%	0.263	C	S	.	.			trans	-123.4	140.7	-165.3	-142.1	-91.9	0	0	0	112.1	F237 L301 R305 E311 W312 C315	F237-F242 HydrophobicContact CD1-CB 3.82Å; F237-F242 HydrophobicContact CE1-CB 3.39Å; F237-F242 HydrophobicContact CE1-CD1 4.1Å; F237-F242 HydrophobicContact CE1-CD2 4.13Å; F237-F242 AromaticContact CE1-CG 3.63Å; F237-F242 HydrophobicContact CE1-CG 3.63Å; F237-F242 HydrophobicContact CE2-CB 4.3Å; F237-F242 HydrophobicContact CE2-CD2 4.11Å; F237-F242 HydrophobicContact CE2-CG 4.39Å; F237-F242 HydrophobicContact CG-CB 4.42Å; F237-F242 HydrophobicContact CZ-CB 3.66Å; F237-F242 HydrophobicContact CZ-CD1 4.22Å; F237-F242 AromaticContact CZ-CD2 3.54Å; F237-F242 HydrophobicContact CZ-CD2 3.54Å; F237-F242 HydrophobicContact CZ-CE2 4.2Å; F237-F242 AromaticContact CZ-CG 3.54Å; F237-F242 HydrophobicContact CZ-CG 3.54Å; F237-F242 WeakPolarHBondContact O-CB 3.46Å; F237-F242 PolarHBondContact O-N 2.97Å; F242-L301 HydrophobicContact CE2-CB 4.22Å; F242-L301 WeakPolarHBondContact CE2-O 3.14Å; F242-L301 HydrophobicContact CZ-CB 4.3Å; F242-R305 CarbonylContact C-O 3.51Å; F242-R305 WeakPolarHBondContact CA-O 3.14Å; F242-E311 HydrophobicContact CE1-CB 4.17Å; F242-E311 HydrophobicContact CZ-CB 4.11Å; F242-W312 HydrophobicContact CB-CH2 4.28Å; F242-W312 HydrophobicContact CB-CZ2 4.37Å; F242-W312 HydrophobicContact CB-CZ3 4.37Å; F242-W312 AromaticContact CD1-CD1 3.58Å; F242-W312 AromaticContact CD1-CD2 3.71Å; F242-W312 HydrophobicContact CD1-CD2 3.71Å; F242-W312 AromaticContact CD1-CE2 3.56Å; F242-W312 HydrophobicContact CD1-CE3 4.41Å; F242-W312 AromaticContact CD1-CG 3.76Å; F242-W312 HydrophobicContact CD1-CG 3.76Å; F242-W312 HydrophobicContact CD1-CZ2 4.14Å; F242-W312 AromaticContact CD1-NE1 3.5Å; F242-W312 AromaticContact CE1-CD1 3.55Å; F242-W312 HydrophobicContact CE1-CD2 4.39Å; F242-W312 AromaticContact CE1-CG 3.95Å; F242-W312 HydrophobicContact CE1-CG 3.95Å; F242-W312 AromaticContact CE1-NE1 3.83Å; F242-W312 WeakPolarHBondContact O-CH2 3.41Å; F242-W312 WeakPolarHBondContact O-CZ2 3.36Å; F242-C315 HydrophobicContact CD2-CB 4.48Å; F242-C315 HydrophobicContact CE2-CB 3.86Å; F242-C315 HydrophobicContact CZ-CB 4.29Å
243	H	84	Confident	89.3	Confident	111 Å²	111	56.9 Å²	56.9	51%	0.514	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.1	-170.3	-57.8	78.7	0	0	0	112.4	R305 C306 G307 W312	H243-R305 PolarHBondContact N-O 3.34Å; H243-R305 PolarHBondContact ND1-O 2.96Å; H243-C306 HydrophobicContact CB-CB 4.22Å; H243-C306 CarbonylContact O-C 3.48Å; H243-C306 WeakPolarHBondContact O-CA 3.31Å; H243-C306 WeakPolarHBondContact O-CB 3.21Å; H243-G307 PolarHBondContact O-N 3.23Å; H243-W312 PolarHBondContact O-NE1 3.47Å
244	W	80.6	Confident	89	Confident	123 Å²	123	59 Å²	59	47%	0.466	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	137.5	178.3	-177.1	-91.9	0	0	0	110.9	N246 G307 R308 C309 W312	W244-N246 PolarHBondContact NE1-OD1 2.85Å; W244-G307 WeakPolarHBondContact CA-O 3.27Å; W244-R308 HydrophobicContact CH2-CB 3.76Å; W244-R308 HydrophobicContact CH2-CG 4.14Å; W244-R308 HydrophobicContact CZ2-CB 4.12Å; W244-R308 HydrophobicContact CZ2-CG 3.97Å; W244-R308 HydrophobicContact CZ3-CB 4.03Å; W244-C309 HydrophobicContact CZ3-CB 4.5Å; W244-W312 HydrophobicContact CB-CZ2 4.26Å; W244-W312 AromaticContact CE3-NE1 3.85Å
245	V	77.8	Confident	88.6	Confident	15 Å²	15	60.4 Å²	60.4	9%	0.091	32%	0.32	C	S	.	.			trans	-124	112.1	178.5	-179.4	0	0	0	0	110.8	I248 F292 C306 G307 R308	V245-I248 HydrophobicContact CG1-CG2 3.55Å; V245-F292 HydrophobicContact CB-CE1 4.48Å; V245-F292 HydrophobicContact CB-CE2 4.23Å; V245-F292 HydrophobicContact CB-CZ 3.88Å; V245-F292 HydrophobicContact CG1-CD2 4.35Å; V245-F292 HydrophobicContact CG1-CE1 4.1Å; V245-F292 HydrophobicContact CG1-CE2 3.9Å; V245-F292 HydrophobicContact CG1-CZ 3.76Å; V245-F292 HydrophobicContact CG2-CE2 4.38Å; V245-F292 HydrophobicContact CG2-CZ 4.41Å; V245-C306 HydrophobicContact CG2-CB 3.65Å; V245-G307 PolarHBondContact N-O 3.25Å; V245-R308 VanDerWaalsContact O-CG 3.3Å; V245-R308 WeakPolarHBondContact O-CG 3.27Å; V245-R308 PolarHBondContact O-NE 3.31Å
246	N	71.9	Confident	88.4	Confident	96 Å²	96	64.2 Å²	64.2	51%	0.513	34%	0.338	S	S	.	.	S	Bend	trans	-84.3	-61.8	162.4	-73.2	-34.4	0	0	0	109.9	W244 R308	W244-N246 PolarHBondContact NE1-OD1 2.85Å; N246-R308 PolarHBondContact O-NH2 3.49Å
247	N	78.7	Confident	88.1	Confident	55 Å²	55	64.3 Å²	64.3	29%	0.294	34%	0.34	S	S	.	.	S	Bend	trans	-131.5	141.2	171.9	-70	-66.5	0	0	0	108.4	S259	N247-S259 PolarHBondContact OD1-N 3.41Å; N247-S259 PolarHBondContact OD1-OG 2.81Å
248	I	87.4	Confident	87.7	Confident	41 Å²	41	70 Å²	70	21%	0.21	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-79.6	149.2	176.7	69.9	-171.1	0	0	0	110	V245 T257 H281 N290 R291 F292	V245-I248 HydrophobicContact CG1-CG2 3.55Å; I248-T257 WeakPolarHBondContact O-CB 3.44Å; I248-T257 WeakPolarHBondContact O-CG2 3.19Å; I248-T257 PolarHBondContact O-OG1 3.24Å; I248-H281 HydrophobicContact CD1-CB 4.37Å; I248-H281 HydrophobicContact CG1-CB 3.84Å; I248-H281 WeakPolarHBondContact CG1-ND1 3.31Å; I248-H281 PolarHBondContact N-ND1 2.72Å; I248-N290 HydrophobicContact CD1-CB 3.67Å; I248-N290 HydrophobicContact CG1-CB 3.92Å; I248-R291 WeakPolarHBondContact CD1-O 3.46Å; I248-F292 HydrophobicContact CD1-CB 4.14Å; I248-F292 HydrophobicContact CG2-CB 4.3Å; I248-F292 HydrophobicContact CG2-CD2 3.59Å; I248-F292 HydrophobicContact CG2-CE2 4.16Å; I248-F292 HydrophobicContact CG2-CG 4.06Å
249	L	88.5	Confident	87.7	Confident	102 Å²	102	70 Å²	70	53%	0.534	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-66.5	152.8	172.9	-60.3	179.2	0	0	0	111	S251	L249-S251 PolarHBondContact O-N 2.91Å
250	C	93.6	Very high	87.8	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.02	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-67.5	127.9	178.6	-177.1	0	0	0	0	111	K252 G254 G255 T257 C283 N290	C250-K252 PolarHBondContact O-N 3.35Å; C250-G254 VanDerWaalsContact O-CA 3.26Å; C250-G254 WeakPolarHBondContact O-CA 3.49Å; C250-G254 PolarHBondContact O-N 3.33Å; C250-G255 PolarHBondContact N-O 3.09Å; C250-T257 HydrophobicContact CB-CG2 3.93Å; C250-C283 HydrophobicContact CB-CB 3.76Å; C250-C283 VanDerWaalsContact SG-CB 3.52Å; C250-N290 WeakPolarHBondContact CA-OD1 3.43Å
251	S	94.6	Very high	87.4	Confident	96 Å²	96	73 Å²	73	67%	0.671	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.7	-179.8	63.2	0	0	0	0	114.4	L249 F288 N290	L249-S251 PolarHBondContact O-N 2.91Å; S251-F288 WeakPolarHBondContact OG-CE1 3.47Å; S251-N290 PolarHBondContact N-OD1 3.48Å; S251-N290 PolarHBondContact OG-OD1 3.41Å
252	K	95.4	Very high	86.8	Confident	134 Å²	134	82.8 Å²	82.8	58%	0.583	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-41.4	178.2	-70.4	-169.7	173.5	-177.8	0	113.8	C250 C286 F288	C250-K252 PolarHBondContact O-N 3.35Å; K252-C286 HydrophobicContact CB-CB 4.42Å; K252-C286 HydrophobicContact CD-CB 4.41Å; K252-F288 HydrophobicContact CD-CB 4.15Å; K252-F288 HydrophobicContact CD-CD1 4.23Å; K252-F288 HydrophobicContact CD-CD2 3.94Å; K252-F288 HydrophobicContact CD-CE2 4.41Å; K252-F288 HydrophobicContact CD-CG 3.83Å; K252-F288 VanDerWaalsContact CE-CE2 3.47Å; K252-F288 HydrophobicContact CG-CD1 4.15Å; K252-F288 HydrophobicContact CG-CE1 4.4Å; K252-F288 HydrophobicContact CG-CG 4.27Å
253	C	93	Very high	86.4	Confident	68 Å²	68	85.2 Å²	85.2	46%	0.459	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-5.6	-172.6	67.2	0	0	0	0	114.6	G255 C286	C253-G255 PolarHBondContact O-N 3.35Å; C253-G255 VanDerWaalsContact O-N 3.17Å; C253-G255 PolarHBondContact SG-N 2.76Å; C253-G255 VanDerWaalsContact SG-N 3.35Å; C253-C286 VanDerWaalsContact CB-SG 3.53Å; C253-C286 PolarHBondContact SG-SG 3.42Å
254	G	91.7	Very high	86.8	Confident	45 Å²	45	81.8 Å²	81.8	46%	0.464	42%	0.423	S	S	.	.			trans	70.4	-0.4	-173.5	0	0	0	0	0	114.7	C250	C250-G254 VanDerWaalsContact O-CA 3.26Å; C250-G254 WeakPolarHBondContact O-CA 3.49Å; C250-G254 PolarHBondContact O-N 3.33Å
255	G	87.9	Confident	87.5	Confident	28 Å²	28	83.1 Å²	83.1	29%	0.289	44%	0.439	S	S	.	.			trans	-74.7	169.5	-177.9	0	0	0	0	0	114.2	C250 C253	C250-G255 PolarHBondContact N-O 3.09Å; C253-G255 PolarHBondContact O-N 3.35Å; C253-G255 VanDerWaalsContact O-N 3.17Å; C253-G255 PolarHBondContact SG-N 2.76Å; C253-G255 VanDerWaalsContact SG-N 3.35Å
256	Q	86.6	Confident	88.3	Confident	150 Å²	150	83.8 Å²	83.8	70%	0.701	44%	0.444	S	S	*	.			trans	-62.6	151.8	177.1	-68.2	-66.7	-17.3	0	0	112.2
257	T	90.1	Very high	89.4	Confident	13 Å²	13	82.5 Å²	82.5	8%	0.08	44%	0.437	C	S	.	.			trans	-129.3	162.6	176.9	67.2	0	0	0	0	110.5	I248 C250 H281 Y282 C283	I248-T257 WeakPolarHBondContact O-CB 3.44Å; I248-T257 WeakPolarHBondContact O-CG2 3.19Å; I248-T257 PolarHBondContact O-OG1 3.24Å; C250-T257 HydrophobicContact CB-CG2 3.93Å; T257-H281 WeakPolarHBondContact OG1-CB 3.45Å; T257-Y282 WeakPolarHBondContact CA-O 3.25Å; T257-Y282 WeakPolarHBondContact CB-O 3.44Å; T257-C283 HydrophobicContact CG2-CB 4.16Å
258	R	89.3	Confident	90.2	Very high	120 Å²	120	86.6 Å²	86.6	45%	0.453	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.8	173.8	63.5	-178.1	175.6	92.9	0.5	110.9	H281 Y282 D284	R258-H281 CarbonylContact O-C 3.59Å; R258-Y282 PolarHBondContact N-O 3.32Å; R258-Y282 PolarHBondContact O-N 2.73Å; R258-D284 WeakPolarHBondContact CD-OD2 3.43Å; R258-D284 IonicContact CZ-OD1 2.73Å; R258-D284 IonicContact CZ-OD2 3.15Å; R258-D284 IonicContact NE-OD1 3.38Å; R258-D284 PolarHBondContact NE-OD1 2.94Å; R258-D284 VanDerWaalsContact NE-OD1 3.07Å; R258-D284 IonicContact NE-OD2 2.75Å; R258-D284 PolarHBondContact NE-OD2 2.82Å; R258-D284 IonicContact NH2-OD1 2.95Å; R258-D284 PolarHBondContact NH2-OD1 2.84Å
259	S	86.9	Confident	90.6	Very high	61 Å²	61	88.4 Å²	88.4	43%	0.427	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	137.8	172.2	-40.9	0	0	0	0	110.3	N247 D280	N247-S259 PolarHBondContact OD1-N 3.41Å; N247-S259 PolarHBondContact OD1-OG 2.81Å; S259-D280 CarbonylContact C-O 3.57Å; S259-D280 WeakPolarHBondContact CA-O 3.31Å
260	R	89.3	Confident	90.9	Very high	94 Å²	94	84 Å²	84	36%	0.355	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	143.5	165.1	-62.7	-162.9	-71	-173	-6.8	109.9	R262 D280 Y282	R260-R262 PolarHBondContact O-N 2.72Å; R260-R262 VanDerWaalsContact O-N 3.11Å; R260-D280 HydrophobicContact CB-CB 4.23Å; R260-D280 IonicContact CZ-OD1 2.85Å; R260-D280 IonicContact CZ-OD2 3.37Å; R260-D280 PolarHBondContact N-O 2.64Å; R260-D280 VanDerWaalsContact NE-CG 3.33Å; R260-D280 IonicContact NE-OD1 3.7Å; R260-D280 IonicContact NE-OD2 3.76Å; R260-D280 PolarHBondContact NE-OD2 2.99Å; R260-D280 IonicContact NH2-OD1 3.56Å; R260-D280 PolarHBondContact NH2-OD1 3.05Å; R260-D280 IonicContact NH2-OD2 3.2Å; R260-D280 PolarHBondContact NH2-OD2 2.66Å; R260-Y282 HydrophobicContact CG-CG 4.47Å; R260-Y282 VanDerWaalsContact CZ-CD2 3.43Å
261	D	80.1	Confident	91	Very high	173 Å²	173	88.3 Å²	88.3	93%	0.925	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59	-27.4	-178.6	-59.9	-33.6	0	0	0	113	S263	D261-S263 PolarHBondContact O-N 3.4Å
262	R	82.3	Confident	91	Very high	209 Å²	209	90.7 Å²	90.7	79%	0.789	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	113.3	178.5	-171.2	174.7	-178.1	-177.4	1.2	110.6	R260	R260-R262 PolarHBondContact O-N 2.72Å; R260-R262 VanDerWaalsContact O-N 3.11Å
263	S	85.8	Confident	91	Very high	53 Å²	53	86.3 Å²	86.3	37%	0.371	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	146.2	166.6	-60.6	0	0	0	0	111	D261 K277 V278	D261-S263 PolarHBondContact O-N 3.4Å; S263-K277 WeakPolarHBondContact OG-CE 3.48Å; S263-V278 CarbonylContact C-O 3.54Å; S263-V278 WeakPolarHBondContact CA-O 3.45Å; S263-V278 WeakPolarHBondContact CB-O 3.37Å
264	L	92.5	Very high	91	Very high	38 Å²	38	84.5 Å²	84.5	20%	0.199	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	153.7	173.7	-59.7	172.2	0	0	0	110	V278 D280 R291	L264-V278 HydrophobicContact CB-CB 4.05Å; L264-V278 HydrophobicContact CB-CG1 4.05Å; L264-V278 HydrophobicContact CD1-CG1 4.37Å; L264-V278 PolarHBondContact N-O 3.36Å; L264-D280 HydrophobicContact CD1-CB 3.97Å; L264-D280 HydrophobicContact CD2-CB 4.35Å; L264-D280 HydrophobicContact CG-CB 3.87Å; L264-R291 HydrophobicContact CD1-CB 4.47Å; L264-R291 HydrophobicContact CD1-CG 3.8Å
265	L	93.8	Very high	91.1	Very high	152 Å²	152	82.4 Å²	82.4	80%	0.796	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-73.3	131.4	170.2	-68	172.6	0	0	0	109.2	R291	L265-R291 PolarHBondContact O-NH2 2.69Å
266	P	95.1	Very high	91.2	Very high	29 Å²	29	90 Å²	90	19%	0.188	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-55.4	137.8	170.5	-23.5	32.5	0	0	0	111.8	E270 L271 A275 V278	P266-E270 VanDerWaalsContact CA-OE2 3.28Å; P266-E270 WeakPolarHBondContact CA-OE2 3.46Å; P266-E270 HydrophobicContact CB-CB 4.23Å; P266-L271 HydrophobicContact CB-CD2 3.67Å; P266-L271 HydrophobicContact CB-CG 3.71Å; P266-L271 HydrophobicContact CG-CD2 4.12Å; P266-A275 WeakPolarHBondContact CG-O 3.28Å; P266-V278 HydrophobicContact CB-CG2 4.13Å; P266-V278 HydrophobicContact CG-CG2 4.01Å
267	N	95.1	Very high	91.4	Very high	69 Å²	69	87.7 Å²	87.7	37%	0.369	43%	0.43	S	S	.	.			trans	-83.8	174.2	166.7	67.9	43.7	0	0	0	111.1	D269 E270 L271	N267-D269 VanDerWaalsContact C-N 3.31Å; N267-D269 PolarHBondContact O-N 3.27Å; N267-D269 PolarHBondContact OD1-N 3Å; N267-D269 VanDerWaalsContact OD1-N 3.12Å; N267-E270 VanDerWaalsContact CG-CD 3.46Å; N267-E270 PolarHBondContact N-OE2 3.1Å; N267-E270 PolarHBondContact ND2-OE1 3.45Å; N267-E270 PolarHBondContact ND2-OE2 3Å; N267-E270 PolarHBondContact O-N 2.71Å; N267-E270 VanDerWaalsContact O-N 3.16Å; N267-E270 WeakPolarHBondContact OD1-CB 3.32Å; N267-E270 VanDerWaalsContact OD1-CG 3.31Å; N267-E270 WeakPolarHBondContact OD1-CG 3.24Å; N267-E270 PolarHBondContact OD1-N 3.45Å; N267-L271 WeakPolarHBondContact O-CG 3.36Å; N267-L271 PolarHBondContact O-N 3.19Å
268	D	95.7	Very high	91.6	Very high	141 Å²	141	87.1 Å²	87.1	75%	0.754	43%	0.426	S	S	*	.	H	α-helix	trans	-61	-36.8	-174.8	-64.4	-21.9	0	0	0	113.5	K272	D268-K272 WeakPolarHBondContact O-CB 3.46Å; D268-K272 PolarHBondContact O-N 3.02Å
269	D	95.1	Very high	91.8	Very high	79 Å²	79	82.3 Å²	82.3	42%	0.422	41%	0.409	S	S	.	.	H	α-helix	trans	-70.7	-40.1	176.5	-172.7	68.9	0	0	0	111.3	N267 L271 K272 W273	N267-D269 VanDerWaalsContact C-N 3.31Å; N267-D269 PolarHBondContact O-N 3.27Å; N267-D269 PolarHBondContact OD1-N 3Å; N267-D269 VanDerWaalsContact OD1-N 3.12Å; D269-L271 PolarHBondContact O-N 2.95Å; D269-K272 WeakPolarHBondContact O-CB 3.47Å; D269-K272 PolarHBondContact O-N 3.17Å; D269-W273 PolarHBondContact O-N 3.12Å
270	E	95.9	Very high	92.2	Very high	9 Å²	9	79.6 Å²	79.6	4%	0.042	39%	0.39	C	S	.	.	H	α-helix	trans	-63.9	-41.6	176.5	-69.9	163.8	173.8	0	0	111.7	P266 N267 W273 G274 A275 V278 R291 P293 Y295	P266-E270 VanDerWaalsContact CA-OE2 3.28Å; P266-E270 WeakPolarHBondContact CA-OE2 3.46Å; P266-E270 HydrophobicContact CB-CB 4.23Å; N267-E270 VanDerWaalsContact CG-CD 3.46Å; N267-E270 PolarHBondContact N-OE2 3.1Å; N267-E270 PolarHBondContact ND2-OE1 3.45Å; N267-E270 PolarHBondContact ND2-OE2 3Å; N267-E270 PolarHBondContact O-N 2.71Å; N267-E270 VanDerWaalsContact O-N 3.16Å; N267-E270 WeakPolarHBondContact OD1-CB 3.32Å; N267-E270 VanDerWaalsContact OD1-CG 3.31Å; N267-E270 WeakPolarHBondContact OD1-CG 3.24Å; N267-E270 PolarHBondContact OD1-N 3.45Å; E270-W273 CarbonylContact O-C 3.57Å; E270-W273 PolarHBondContact O-N 3.35Å; E270-G274 PolarHBondContact O-N 3.47Å; E270-A275 HydrophobicContact CB-CB 4.18Å; E270-A275 WeakPolarHBondContact O-CB 3.49Å; E270-A275 PolarHBondContact O-N 3.28Å; E270-V278 WeakPolarHBondContact OE2-CG2 3.44Å; E270-R291 IonicContact OE1-CZ 3.66Å; E270-R291 IonicContact OE1-NE 2.81Å; E270-R291 PolarHBondContact OE1-NE 2.98Å; E270-R291 IonicContact OE1-NH2 2.79Å; E270-R291 PolarHBondContact OE1-NH2 3.5Å; E270-R291 IonicContact OE2-CZ 2.58Å; E270-R291 IonicContact OE2-NE 2.57Å; E270-R291 IonicContact OE2-NH2 3.73Å; E270-R291 PolarHBondContact OE2-NH2 3.36Å; E270-P293 HydrophobicContact CB-CB 4.47Å; E270-P293 HydrophobicContact CG-CB 4Å; E270-P293 HydrophobicContact CG-CG 3.67Å; E270-P293 WeakPolarHBondContact OE1-CG 3.37Å; E270-Y295 HydrophobicContact CB-CE1 4.48Å; E270-Y295 HydrophobicContact CG-CE1 4.49Å
271	L	94.3	Very high	92.4	Very high	94 Å²	94	75.1 Å²	75.1	49%	0.492	37%	0.373	S	S	.	.	H	α-helix	trans	-63.8	-41.6	174.5	-73.1	172.2	0	0	0	112.1	P266 N267 D269 W273 G274	P266-L271 HydrophobicContact CB-CD2 3.67Å; P266-L271 HydrophobicContact CB-CG 3.71Å; P266-L271 HydrophobicContact CG-CD2 4.12Å; N267-L271 WeakPolarHBondContact O-CG 3.36Å; N267-L271 PolarHBondContact O-N 3.19Å; D269-L271 PolarHBondContact O-N 2.95Å; L271-W273 PolarHBondContact O-N 3.23Å; L271-G274 WeakPolarHBondContact O-CA 3.35Å; L271-G274 PolarHBondContact O-N 3.36Å
272	K	95	Very high	93.2	Very high	146 Å²	146	68.2 Å²	68.2	64%	0.635	33%	0.334	S	S	*	.	H	α-helix	trans	-56.1	-37.3	176	176.6	-173.4	173.4	-172.2	0	111.8	D268 D269 G274	D268-K272 WeakPolarHBondContact O-CB 3.46Å; D268-K272 PolarHBondContact O-N 3.02Å; D269-K272 WeakPolarHBondContact O-CB 3.47Å; D269-K272 PolarHBondContact O-N 3.17Å; K272-G274 VanDerWaalsContact C-N 3.29Å; K272-G274 PolarHBondContact O-N 2.94Å
273	W	95.3	Very high	93.8	Very high	41 Å²	41	58.4 Å²	58.4	16%	0.155	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	15.1	176.3	-63.8	114.7	0	0	0	113.9	D269 E270 L271 A275 Y295 N297 E299 K300	D269-W273 PolarHBondContact O-N 3.12Å; E270-W273 CarbonylContact O-C 3.57Å; E270-W273 PolarHBondContact O-N 3.35Å; L271-W273 PolarHBondContact O-N 3.23Å; W273-A275 PolarHBondContact O-N 3.01Å; W273-Y295 HydrophobicContact CB-CD1 3.5Å; W273-Y295 VanDerWaalsContact CB-CD1 3.5Å; W273-Y295 HydrophobicContact CB-CE1 3.58Å; W273-Y295 HydrophobicContact CG-CE1 4.4Å; W273-N297 HydrophobicContact CE3-CB 4.17Å; W273-N297 WeakPolarHBondContact O-CB 3.49Å; W273-N297 PolarHBondContact O-N 2.78Å; W273-E299 HydrophobicContact CZ3-CB 4.11Å; W273-E299 HydrophobicContact CZ3-CG 4.28Å; W273-K300 HydrophobicContact CB-CB 4.04Å; W273-K300 HydrophobicContact CB-CG 3.99Å; W273-K300 HydrophobicContact CD2-CB 3.9Å; W273-K300 HydrophobicContact CD2-CD 3.99Å; W273-K300 HydrophobicContact CD2-CG 4.15Å; W273-K300 HydrophobicContact CE3-CB 3.76Å; W273-K300 HydrophobicContact CG-CB 4.04Å; W273-K300 HydrophobicContact CG-CD 3.98Å; W273-K300 HydrophobicContact CG-CG 3.91Å; W273-K300 HydrophobicContact CZ3-CB 4.47Å
274	G	92.5	Very high	94.3	Very high	30 Å²	30	59.6 Å²	59.6	31%	0.309	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	17	171.1	0	0	0	0	0	115	E270 L271 K272 K276	E270-G274 PolarHBondContact O-N 3.47Å; L271-G274 WeakPolarHBondContact O-CA 3.35Å; L271-G274 PolarHBondContact O-N 3.36Å; K272-G274 VanDerWaalsContact C-N 3.29Å; K272-G274 PolarHBondContact O-N 2.94Å; G274-K276 PolarHBondContact O-N 2.84Å
275	A	94.1	Very high	94.4	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.008	33%	0.327	C	S	.	.			trans	-76.1	113.4	173.7	0	0	0	0	0	110.7	P266 E270 W273 P293 R294 Y295	P266-A275 WeakPolarHBondContact CG-O 3.28Å; E270-A275 HydrophobicContact CB-CB 4.18Å; E270-A275 WeakPolarHBondContact O-CB 3.49Å; E270-A275 PolarHBondContact O-N 3.28Å; W273-A275 PolarHBondContact O-N 3.01Å; A275-P293 HydrophobicContact CB-CB 3.82Å; A275-R294 WeakPolarHBondContact CA-O 3.45Å; A275-Y295 HydrophobicContact CB-CD1 3.76Å; A275-Y295 HydrophobicContact CB-CE1 4.05Å
276	K	89.9	Confident	94.6	Very high	188 Å²	188	57.1 Å²	57.1	82%	0.817	30%	0.303	S	S	*	.			trans	-91.1	-22.8	174.2	-65.4	-178.3	-179.2	176.4	0	113	G274	G274-K276 PolarHBondContact O-N 2.84Å
277	K	91.2	Very high	94.6	Very high	102 Å²	102	61.9 Å²	61.9	44%	0.443	32%	0.323	S	S	.	.			trans	-129.9	136.1	-179	-175.4	-177.5	179	-171.2	0	108.8	S263 R294	S263-K277 WeakPolarHBondContact OG-CE 3.48Å; K277-R294 HydrophobicContact CB-CG 4.49Å; K277-R294 WeakPolarHBondContact O-CB 3.05Å; K277-R294 PolarHBondContact O-N 3.48Å
278	V	95.3	Very high	94.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.8	172.1	-176.7	0	0	0	0	108.2	S263 L264 P266 E270 R291 P293	S263-V278 CarbonylContact C-O 3.54Å; S263-V278 WeakPolarHBondContact CA-O 3.45Å; S263-V278 WeakPolarHBondContact CB-O 3.37Å; L264-V278 HydrophobicContact CB-CB 4.05Å; L264-V278 HydrophobicContact CB-CG1 4.05Å; L264-V278 HydrophobicContact CD1-CG1 4.37Å; L264-V278 PolarHBondContact N-O 3.36Å; P266-V278 HydrophobicContact CB-CG2 4.13Å; P266-V278 HydrophobicContact CG-CG2 4.01Å; E270-V278 WeakPolarHBondContact OE2-CG2 3.44Å; V278-R291 HydrophobicContact CG1-CB 3.92Å; V278-P293 HydrophobicContact CG1-CG 4.29Å; V278-P293 HydrophobicContact CG2-CB 4.14Å; V278-P293 HydrophobicContact CG2-CG 4.45Å
279	E	93.3	Very high	94.6	Very high	19 Å²	19	56.7 Å²	56.7	9%	0.089	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	147.5	176.3	-63.8	174.5	-158.9	0	0	109.7	H281 F292 R294 R308	E279-H281 IonicContact OE2-NE2 3.87Å; E279-F292 HydrophobicContact CB-CB 4.22Å; E279-F292 HydrophobicContact CB-CD1 4.26Å; E279-F292 PolarHBondContact N-O 3Å; E279-F292 PolarHBondContact O-N 3.39Å; E279-R294 HydrophobicContact CG-CG 4.43Å; E279-R294 WeakPolarHBondContact OE1-CD 3.26Å; E279-R294 IonicContact OE1-CZ 3.61Å; E279-R294 IonicContact OE1-NE 3.96Å; E279-R294 IonicContact OE1-NH1 2.81Å; E279-R294 PolarHBondContact OE1-NH1 2.86Å; E279-R308 IonicContact OE1-CZ 3.4Å; E279-R308 IonicContact OE1-NH1 3.55Å; E279-R308 PolarHBondContact OE1-NH1 3.42Å; E279-R308 IonicContact OE2-CZ 2.99Å; E279-R308 VanDerWaalsContact OE2-CZ 3.26Å; E279-R308 IonicContact OE2-NH1 2.69Å; E279-R308 PolarHBondContact OE2-NH1 3.25Å; E279-R308 IonicContact OE2-NH2 3.57Å; E279-R308 PolarHBondContact OE2-NH2 3.25Å
280	D	95.3	Very high	94.6	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	103.7	-178.4	-168.3	-11	0	0	0	110.1	S259 R260 L264 S289	S259-D280 CarbonylContact C-O 3.57Å; S259-D280 WeakPolarHBondContact CA-O 3.31Å; R260-D280 HydrophobicContact CB-CB 4.23Å; R260-D280 IonicContact CZ-OD1 2.85Å; R260-D280 IonicContact CZ-OD2 3.37Å; R260-D280 PolarHBondContact N-O 2.64Å; R260-D280 VanDerWaalsContact NE-CG 3.33Å; R260-D280 IonicContact NE-OD1 3.7Å; R260-D280 IonicContact NE-OD2 3.76Å; R260-D280 PolarHBondContact NE-OD2 2.99Å; R260-D280 IonicContact NH2-OD1 3.56Å; R260-D280 PolarHBondContact NH2-OD1 3.05Å; R260-D280 IonicContact NH2-OD2 3.2Å; R260-D280 PolarHBondContact NH2-OD2 2.66Å; L264-D280 HydrophobicContact CD1-CB 3.97Å; L264-D280 HydrophobicContact CD2-CB 4.35Å; L264-D280 HydrophobicContact CG-CB 3.87Å; D280-S289 VanDerWaalsContact CG-OG 3.28Å; D280-S289 WeakPolarHBondContact OD1-CB 3.49Å; D280-S289 PolarHBondContact OD1-OG 3.24Å
281	H	93.5	Very high	94.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	95.2	-179.8	-67	170.1	0	0	0	108.5	I248 T257 R258 E279 N290 F292	I248-H281 HydrophobicContact CD1-CB 4.37Å; I248-H281 HydrophobicContact CG1-CB 3.84Å; I248-H281 WeakPolarHBondContact CG1-ND1 3.31Å; I248-H281 PolarHBondContact N-ND1 2.72Å; T257-H281 WeakPolarHBondContact OG1-CB 3.45Å; R258-H281 CarbonylContact O-C 3.59Å; E279-H281 IonicContact OE2-NE2 3.87Å; H281-N290 HydrophobicContact CB-CB 4.27Å; H281-N290 WeakPolarHBondContact CB-O 3.36Å; H281-N290 PolarHBondContact N-O 2.7Å; H281-N290 WeakPolarHBondContact O-CA 3.22Å; H281-N290 VanDerWaalsContact O-CB 3.23Å; H281-N290 WeakPolarHBondContact O-CB 3.18Å; H281-N290 PolarHBondContact O-N 3.35Å; H281-N290 PolarHBondContact O-ND2 3.42Å; H281-F292 VanDerWaalsContact CE1-CB 3.41Å; H281-F292 WeakPolarHBondContact CE1-CB 3.29Å; H281-F292 AromaticContact CE1-CD1 3.48Å; H281-F292 VanDerWaalsContact CE1-CD1 3.48Å; H281-F292 WeakPolarHBondContact CE1-CD1 3.25Å; H281-F292 AromaticContact CE1-CG 3.57Å
282	Y	95.3	Very high	94.7	Very high	29 Å²	29	53.2 Å²	53.2	11%	0.114	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	133	-172	-165.5	-102.1	0	0	0	111.7	T257 R258 R260 Q287	T257-Y282 WeakPolarHBondContact CA-O 3.25Å; T257-Y282 WeakPolarHBondContact CB-O 3.44Å; R258-Y282 PolarHBondContact N-O 3.32Å; R258-Y282 PolarHBondContact O-N 2.73Å; R260-Y282 HydrophobicContact CG-CG 4.47Å; R260-Y282 VanDerWaalsContact CZ-CD2 3.43Å; Y282-Q287 VanDerWaalsContact OH-C 3.26Å; Y282-Q287 WeakPolarHBondContact OH-CA 3.19Å; Y282-Q287 WeakPolarHBondContact OH-CB 3.23Å; Y282-Q287 PolarHBondContact OH-O 3.22Å; Y282-Q287 PolarHBondContact OH-OE1 3.12Å
283	C	96.4	Very high	94.7	Very high	3 Å²	3	47 Å²	47	2%	0.02	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	114.5	172.5	-177.6	0	0	0	0	109.7	C250 T257 A285 C286 Q287 F288	C250-C283 HydrophobicContact CB-CB 3.76Å; C250-C283 VanDerWaalsContact SG-CB 3.52Å; T257-C283 HydrophobicContact CG2-CB 4.16Å; C283-A285 VanDerWaalsContact C-N 3.35Å; C283-C286 HydrophobicContact CB-CB 4.33Å; C283-Q287 VanDerWaalsContact O-CA 3.26Å; C283-Q287 WeakPolarHBondContact O-CA 3.23Å; C283-Q287 PolarHBondContact O-N 2.89Å; C283-F288 PolarHBondContact N-O 2.75Å; C283-F288 PolarHBondContact O-N 2.68Å; C283-F288 VanDerWaalsContact O-N 3.16Å
284	D	95.1	Very high	94.7	Very high	78 Å²	78	47.9 Å²	47.9	42%	0.417	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-31.4	179.5	-62.4	-61.2	0	0	0	112.3	R258 Q287	R258-D284 WeakPolarHBondContact CD-OD2 3.43Å; R258-D284 IonicContact CZ-OD1 2.73Å; R258-D284 IonicContact CZ-OD2 3.15Å; R258-D284 IonicContact NE-OD1 3.38Å; R258-D284 PolarHBondContact NE-OD1 2.94Å; R258-D284 VanDerWaalsContact NE-OD1 3.07Å; R258-D284 IonicContact NE-OD2 2.75Å; R258-D284 PolarHBondContact NE-OD2 2.82Å; R258-D284 IonicContact NH2-OD1 2.95Å; R258-D284 PolarHBondContact NH2-OD1 2.84Å; D284-Q287 PolarHBondContact O-NE2 2.87Å
285	A	95.9	Very high	94.8	Very high	94 Å²	94	48 Å²	48	78%	0.777	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-42.6	178.5	0	0	0	0	0	112.6	C283	C283-A285 VanDerWaalsContact C-N 3.35Å
286	C	96.8	Very high	94.8	Very high	43 Å²	43	51.6 Å²	51.6	29%	0.291	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-4.8	179.6	-67.1	0	0	0	0	113.8	K252 C253 C283 F288	K252-C286 HydrophobicContact CB-CB 4.42Å; K252-C286 HydrophobicContact CD-CB 4.41Å; C253-C286 VanDerWaalsContact CB-SG 3.53Å; C253-C286 PolarHBondContact SG-SG 3.42Å; C283-C286 HydrophobicContact CB-CB 4.33Å; C286-F288 HydrophobicContact CB-CB 3.85Å; C286-F288 PolarHBondContact O-N 3.41Å
287	Q	96.1	Very high	95.1	Very high	130 Å²	130	44.7 Å²	44.7	61%	0.607	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	43.4	-169.2	-65.4	-69.9	-64	0	0	111.8	Y282 C283 D284	Y282-Q287 VanDerWaalsContact OH-C 3.26Å; Y282-Q287 WeakPolarHBondContact OH-CA 3.19Å; Y282-Q287 WeakPolarHBondContact OH-CB 3.23Å; Y282-Q287 PolarHBondContact OH-O 3.22Å; Y282-Q287 PolarHBondContact OH-OE1 3.12Å; C283-Q287 VanDerWaalsContact O-CA 3.26Å; C283-Q287 WeakPolarHBondContact O-CA 3.23Å; C283-Q287 PolarHBondContact O-N 2.89Å; D284-Q287 PolarHBondContact O-NE2 2.87Å
288	F	95.4	Very high	95.4	Very high	64 Å²	64	39.9 Å²	39.9	28%	0.281	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137	-168	-172	-104.2	0	0	0	112.4	S251 K252 C283 C286 N290	S251-F288 WeakPolarHBondContact OG-CE1 3.47Å; K252-F288 HydrophobicContact CD-CB 4.15Å; K252-F288 HydrophobicContact CD-CD1 4.23Å; K252-F288 HydrophobicContact CD-CD2 3.94Å; K252-F288 HydrophobicContact CD-CE2 4.41Å; K252-F288 HydrophobicContact CD-CG 3.83Å; K252-F288 VanDerWaalsContact CE-CE2 3.47Å; K252-F288 HydrophobicContact CG-CD1 4.15Å; K252-F288 HydrophobicContact CG-CE1 4.4Å; K252-F288 HydrophobicContact CG-CG 4.27Å; C283-F288 PolarHBondContact N-O 2.75Å; C283-F288 PolarHBondContact O-N 2.68Å; C283-F288 VanDerWaalsContact O-N 3.16Å; C286-F288 HydrophobicContact CB-CB 3.85Å; C286-F288 PolarHBondContact O-N 3.41Å; F288-N290 WeakPolarHBondContact CD1-OD1 3.06Å; F288-N290 PolarHBondContact O-ND2 2.84Å
289	S	95.8	Very high	95.5	Very high	37 Å²	37	42.7 Å²	42.7	26%	0.259	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.1	178.1	174.8	0	0	0	0	110.4	D280	D280-S289 VanDerWaalsContact CG-OG 3.28Å; D280-S289 WeakPolarHBondContact OD1-CB 3.49Å; D280-S289 PolarHBondContact OD1-OG 3.24Å
290	N	95.1	Very high	95.8	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.7	175.3	-50	-92.1	0	0	0	107.9	I248 C250 S251 H281 F288	I248-N290 HydrophobicContact CD1-CB 3.67Å; I248-N290 HydrophobicContact CG1-CB 3.92Å; C250-N290 WeakPolarHBondContact CA-OD1 3.43Å; S251-N290 PolarHBondContact N-OD1 3.48Å; S251-N290 PolarHBondContact OG-OD1 3.41Å; H281-N290 HydrophobicContact CB-CB 4.27Å; H281-N290 WeakPolarHBondContact CB-O 3.36Å; H281-N290 PolarHBondContact N-O 2.7Å; H281-N290 WeakPolarHBondContact O-CA 3.22Å; H281-N290 VanDerWaalsContact O-CB 3.23Å; H281-N290 WeakPolarHBondContact O-CB 3.18Å; H281-N290 PolarHBondContact O-N 3.35Å; H281-N290 PolarHBondContact O-ND2 3.42Å; F288-N290 WeakPolarHBondContact CD1-OD1 3.06Å; F288-N290 PolarHBondContact O-ND2 2.84Å
291	R	95.7	Very high	95.9	Very high	92 Å²	92	42.6 Å²	42.6	35%	0.347	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.4	-174.4	-56.3	177.7	64.8	86.5	-1	109.4	I248 L264 L265 E270 V278	I248-R291 WeakPolarHBondContact CD1-O 3.46Å; L264-R291 HydrophobicContact CD1-CB 4.47Å; L264-R291 HydrophobicContact CD1-CG 3.8Å; L265-R291 PolarHBondContact O-NH2 2.69Å; E270-R291 IonicContact OE1-CZ 3.66Å; E270-R291 IonicContact OE1-NE 2.81Å; E270-R291 PolarHBondContact OE1-NE 2.98Å; E270-R291 IonicContact OE1-NH2 2.79Å; E270-R291 PolarHBondContact OE1-NH2 3.5Å; E270-R291 IonicContact OE2-CZ 2.58Å; E270-R291 IonicContact OE2-NE 2.57Å; E270-R291 IonicContact OE2-NH2 3.73Å; E270-R291 PolarHBondContact OE2-NH2 3.36Å; V278-R291 HydrophobicContact CG1-CB 3.92Å
292	F	95.5	Very high	96.1	Very high	13 Å²	13	43.1 Å²	43.1	6%	0.057	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	90.3	172	-177.7	-121.6	0	0	0	110.5	V245 I248 E279 H281	V245-F292 HydrophobicContact CB-CE1 4.48Å; V245-F292 HydrophobicContact CB-CE2 4.23Å; V245-F292 HydrophobicContact CB-CZ 3.88Å; V245-F292 HydrophobicContact CG1-CD2 4.35Å; V245-F292 HydrophobicContact CG1-CE1 4.1Å; V245-F292 HydrophobicContact CG1-CE2 3.9Å; V245-F292 HydrophobicContact CG1-CZ 3.76Å; V245-F292 HydrophobicContact CG2-CE2 4.38Å; V245-F292 HydrophobicContact CG2-CZ 4.41Å; I248-F292 HydrophobicContact CD1-CB 4.14Å; I248-F292 HydrophobicContact CG2-CB 4.3Å; I248-F292 HydrophobicContact CG2-CD2 3.59Å; I248-F292 HydrophobicContact CG2-CE2 4.16Å; I248-F292 HydrophobicContact CG2-CG 4.06Å; E279-F292 HydrophobicContact CB-CB 4.22Å; E279-F292 HydrophobicContact CB-CD1 4.26Å; E279-F292 PolarHBondContact N-O 3Å; E279-F292 PolarHBondContact O-N 3.39Å; H281-F292 VanDerWaalsContact CE1-CB 3.41Å; H281-F292 WeakPolarHBondContact CE1-CB 3.29Å; H281-F292 AromaticContact CE1-CD1 3.48Å; H281-F292 VanDerWaalsContact CE1-CD1 3.48Å; H281-F292 WeakPolarHBondContact CE1-CD1 3.25Å; H281-F292 AromaticContact CE1-CG 3.57Å
293	P	96	Very high	96.2	Very high	16 Å²	16	47.9 Å²	47.9	10%	0.104	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.6	178.4	-17.2	32.7	0	0	0	111.2	E270 A275 V278 Y295	E270-P293 HydrophobicContact CB-CB 4.47Å; E270-P293 HydrophobicContact CG-CB 4Å; E270-P293 HydrophobicContact CG-CG 3.67Å; E270-P293 WeakPolarHBondContact OE1-CG 3.37Å; A275-P293 HydrophobicContact CB-CB 3.82Å; V278-P293 HydrophobicContact CG1-CG 4.29Å; V278-P293 HydrophobicContact CG2-CB 4.14Å; V278-P293 HydrophobicContact CG2-CG 4.45Å; P293-Y295 HydrophobicContact CB-CD1 4.26Å; P293-Y295 HydrophobicContact CB-CD2 4.26Å; P293-Y295 HydrophobicContact CB-CE1 3.81Å; P293-Y295 HydrophobicContact CB-CE2 3.82Å; P293-Y295 HydrophobicContact CB-CG 4.47Å; P293-Y295 HydrophobicContact CG-CE1 4.45Å; P293-Y295 HydrophobicContact CG-CE2 4.11Å; P293-Y295 PolarHBondContact O-N 2.93Å; P293-Y295 VanDerWaalsContact O-N 3.13Å
294	R	94	Very high	96.2	Very high	59 Å²	59	49.7 Å²	49.7	22%	0.223	26%	0.259	C	S	.	.			trans	-84.8	81.1	174.3	-59.1	-59.4	-59.1	-81.8	-3.4	109.3	A275 K277 E279 E311	A275-R294 WeakPolarHBondContact CA-O 3.45Å; K277-R294 HydrophobicContact CB-CG 4.49Å; K277-R294 WeakPolarHBondContact O-CB 3.05Å; K277-R294 PolarHBondContact O-N 3.48Å; E279-R294 HydrophobicContact CG-CG 4.43Å; E279-R294 WeakPolarHBondContact OE1-CD 3.26Å; E279-R294 IonicContact OE1-CZ 3.61Å; E279-R294 IonicContact OE1-NE 3.96Å; E279-R294 IonicContact OE1-NH1 2.81Å; E279-R294 PolarHBondContact OE1-NH1 2.86Å; R294-E311 IonicContact CZ-OE1 3.91Å; R294-E311 IonicContact CZ-OE2 2.68Å; R294-E311 IonicContact NE-OE1 3.66Å; R294-E311 PolarHBondContact NE-OE1 2.86Å; R294-E311 IonicContact NE-OE2 2.76Å; R294-E311 IonicContact NH2-OE1 3.09Å; R294-E311 PolarHBondContact NH2-OE1 2.86Å; R294-E311 IonicContact NH2-OE2 3.9Å; R294-E311 PolarHBondContact NH2-OE2 3.41Å
295	Y	95.8	Very high	96.3	Very high	31 Å²	31	51 Å²	51	12%	0.122	26%	0.258	C	S	.	.			trans	-69.1	135.6	-176.1	-67.1	-62.6	0	0	0	112.1	E270 W273 A275 P293 K300 T304	E270-Y295 HydrophobicContact CB-CE1 4.48Å; E270-Y295 HydrophobicContact CG-CE1 4.49Å; W273-Y295 HydrophobicContact CB-CD1 3.5Å; W273-Y295 VanDerWaalsContact CB-CD1 3.5Å; W273-Y295 HydrophobicContact CB-CE1 3.58Å; W273-Y295 HydrophobicContact CG-CE1 4.4Å; A275-Y295 HydrophobicContact CB-CD1 3.76Å; A275-Y295 HydrophobicContact CB-CE1 4.05Å; P293-Y295 HydrophobicContact CB-CD1 4.26Å; P293-Y295 HydrophobicContact CB-CD2 4.26Å; P293-Y295 HydrophobicContact CB-CE1 3.81Å; P293-Y295 HydrophobicContact CB-CE2 3.82Å; P293-Y295 HydrophobicContact CB-CG 4.47Å; P293-Y295 HydrophobicContact CG-CE1 4.45Å; P293-Y295 HydrophobicContact CG-CE2 4.11Å; P293-Y295 PolarHBondContact O-N 2.93Å; P293-Y295 VanDerWaalsContact O-N 3.13Å; Y295-K300 HydrophobicContact CD1-CG 4.09Å; Y295-K300 HydrophobicContact CD2-CG 3.85Å; Y295-K300 HydrophobicContact CE1-CG 4.22Å; Y295-K300 HydrophobicContact CE2-CG 3.98Å; Y295-K300 HydrophobicContact CG-CB 4.48Å; Y295-K300 HydrophobicContact CG-CG 3.9Å; Y295-T304 HydrophobicContact CD2-CG2 4.09Å; Y295-T304 HydrophobicContact CE2-CG2 3.98Å
296	N	93.5	Very high	96	Very high	77 Å²	77	48.2 Å²	48.2	41%	0.412	23%	0.232	S	C	.	.			trans	-108.5	-6	174.6	-160.7	63.4	0	0	0	113.2	H181 P298 N314	H181-N296 PolarHBondContact CD2-ND2 3.44Å; H181-N296 PolarHBondContact NE2-ND2 3.06Å; H181-N296 PolarHBondContact NE2-O 3.42Å; N296-P298 WeakPolarHBondContact O-CD 3.4Å; N296-N314 PolarHBondContact O-ND2 3.3Å
297	N	96.5	Very high	95.6	Very high	44 Å²	44	46.1 Å²	46.1	24%	0.235	22%	0.218	C	C	.	.			trans	-84.1	114.1	173.9	-173.5	-40.5	0	0	0	110.1	W273 E299 K300 L301	W273-N297 HydrophobicContact CE3-CB 4.17Å; W273-N297 WeakPolarHBondContact O-CB 3.49Å; W273-N297 PolarHBondContact O-N 2.78Å; N297-E299 PolarHBondContact O-N 3.27Å; N297-E299 WeakPolarHBondContact OD1-CB 3.33Å; N297-E299 PolarHBondContact OD1-N 3.12Å; N297-K300 PolarHBondContact O-N 2.87Å; N297-L301 PolarHBondContact O-N 2.96Å
298	P	97.3	Very high	95	Very high	1 Å²	1	42 Å²	42	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-66	-21.6	-177.1	26.9	-35.2	0	0	0	113.9	V184 Y185 L190 N296 K300 L301 L302 N314 L318	V184-P298 HydrophobicContact CG1-CG 3.86Å; V184-P298 HydrophobicContact CG2-CG 4.31Å; Y185-P298 HydrophobicContact CD1-CG 4.39Å; Y185-P298 HydrophobicContact CE1-CB 4.44Å; Y185-P298 HydrophobicContact CE1-CG 4.14Å; L190-P298 HydrophobicContact CD2-CG 4.08Å; N296-P298 WeakPolarHBondContact O-CD 3.4Å; P298-K300 VanDerWaalsContact C-N 3.32Å; P298-K300 PolarHBondContact O-N 3.3Å; P298-L301 PolarHBondContact O-N 3.46Å; P298-L302 PolarHBondContact O-N 3.49Å; P298-N314 WeakPolarHBondContact CB-OD1 2.94Å; P298-L318 HydrophobicContact CB-CB 4.31Å; P298-L318 HydrophobicContact CB-CD2 3.87Å; P298-L318 HydrophobicContact CG-CD2 4.36Å
299	E	97.9	Very high	94.5	Very high	58 Å²	58	40 Å²	40	27%	0.271	19%	0.191	S	C	.	.	H	α-helix	trans	-61	-43.2	171.4	-168.1	177.5	141.2	0	0	111.1	L190 K193 W273 N297 L301 L302	L190-E299 HydrophobicContact CD1-CB 3.54Å; L190-E299 HydrophobicContact CD1-CG 3.82Å; K193-E299 HydrophobicContact CD-CG 4.09Å; K193-E299 IonicContact NZ-OE1 3.03Å; K193-E299 PolarHBondContact NZ-OE1 3.38Å; K193-E299 IonicContact NZ-OE2 3.48Å; K193-E299 PolarHBondContact NZ-OE2 3.39Å; W273-E299 HydrophobicContact CZ3-CB 4.11Å; W273-E299 HydrophobicContact CZ3-CG 4.28Å; N297-E299 PolarHBondContact O-N 3.27Å; N297-E299 WeakPolarHBondContact OD1-CB 3.33Å; N297-E299 PolarHBondContact OD1-N 3.12Å; E299-L301 VanDerWaalsContact C-N 3.25Å; E299-L301 PolarHBondContact O-N 3.26Å; E299-L302 WeakPolarHBondContact O-CB 3.39Å; E299-L302 PolarHBondContact O-N 2.59Å
300	K	98.1	Very high	94.2	Very high	21 Å²	21	39.4 Å²	39.4	9%	0.091	19%	0.19	C	C	.	.	H	α-helix	trans	-66.8	-31.9	177.4	-171.4	58.3	180	178.4	0	111.5	W273 Y295 N297 P298 L302 E303 T304	W273-K300 HydrophobicContact CB-CB 4.04Å; W273-K300 HydrophobicContact CB-CG 3.99Å; W273-K300 HydrophobicContact CD2-CB 3.9Å; W273-K300 HydrophobicContact CD2-CD 3.99Å; W273-K300 HydrophobicContact CD2-CG 4.15Å; W273-K300 HydrophobicContact CE3-CB 3.76Å; W273-K300 HydrophobicContact CG-CB 4.04Å; W273-K300 HydrophobicContact CG-CD 3.98Å; W273-K300 HydrophobicContact CG-CG 3.91Å; W273-K300 HydrophobicContact CZ3-CB 4.47Å; Y295-K300 HydrophobicContact CD1-CG 4.09Å; Y295-K300 HydrophobicContact CD2-CG 3.85Å; Y295-K300 HydrophobicContact CE1-CG 4.22Å; Y295-K300 HydrophobicContact CE2-CG 3.98Å; Y295-K300 HydrophobicContact CG-CB 4.48Å; Y295-K300 HydrophobicContact CG-CG 3.9Å; N297-K300 PolarHBondContact O-N 2.87Å; P298-K300 VanDerWaalsContact C-N 3.32Å; P298-K300 PolarHBondContact O-N 3.3Å; K300-L302 VanDerWaalsContact C-N 3.31Å; K300-L302 PolarHBondContact O-N 3.26Å; K300-E303 WeakPolarHBondContact CD-OE2 3.41Å; K300-E303 IonicContact NZ-OE1 3.27Å; K300-E303 PolarHBondContact NZ-OE1 3.14Å; K300-E303 IonicContact NZ-OE2 3.22Å; K300-E303 PolarHBondContact NZ-OE2 3.45Å; K300-E303 WeakPolarHBondContact O-CB 3.1Å; K300-E303 PolarHBondContact O-N 2.97Å; K300-E303 VanDerWaalsContact O-N 3.12Å; K300-T304 HydrophobicContact CD-CG2 4.33Å; K300-T304 HydrophobicContact CG-CG2 4.11Å; K300-T304 PolarHBondContact O-N 3.35Å; K300-T304 PolarHBondContact O-OG1 3.15Å
301	L	98.3	Very high	94.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-69.1	-27.6	178.8	-58.8	-179.4	0	0	0	113	F242 N297 P298 E299 E303 R305 E311 N314 C315	F242-L301 HydrophobicContact CE2-CB 4.22Å; F242-L301 WeakPolarHBondContact CE2-O 3.14Å; F242-L301 HydrophobicContact CZ-CB 4.3Å; N297-L301 PolarHBondContact O-N 2.96Å; P298-L301 PolarHBondContact O-N 3.46Å; E299-L301 VanDerWaalsContact C-N 3.25Å; E299-L301 PolarHBondContact O-N 3.26Å; L301-E303 PolarHBondContact O-N 2.57Å; L301-R305 WeakPolarHBondContact O-CA 3.48Å; L301-R305 PolarHBondContact O-N 3.13Å; L301-E311 HydrophobicContact CD1-CB 3.98Å; L301-E311 HydrophobicContact CD1-CG 4.29Å; L301-E311 WeakPolarHBondContact CD1-O 3.43Å; L301-E311 HydrophobicContact CD2-CB 3.97Å; L301-E311 HydrophobicContact CD2-CG 3.74Å; L301-N314 HydrophobicContact CD1-CB 4.02Å; L301-C315 HydrophobicContact CB-CB 3.89Å; L301-C315 HydrophobicContact CD1-CB 4.17Å
302	L	98.3	Very high	94.3	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.052	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-28.4	171.1	-64.5	171.3	0	0	0	112.3	L190 K193 A194 F241 P298 E299 K300 R305 L318	L190-L302 HydrophobicContact CD1-CD1 4.34Å; K193-L302 HydrophobicContact CB-CD1 4.22Å; A194-L302 HydrophobicContact CB-CD1 4.08Å; A194-L302 HydrophobicContact CB-CD2 4.19Å; F241-L302 HydrophobicContact CE1-CD2 4.25Å; F241-L302 HydrophobicContact CZ-CD2 3.95Å; P298-L302 PolarHBondContact O-N 3.49Å; E299-L302 WeakPolarHBondContact O-CB 3.39Å; E299-L302 PolarHBondContact O-N 2.59Å; K300-L302 VanDerWaalsContact C-N 3.31Å; K300-L302 PolarHBondContact O-N 3.26Å; L302-R305 WeakPolarHBondContact O-CG 3.47Å; L302-R305 PolarHBondContact O-NE 2.8Å; L302-L318 HydrophobicContact CD1-CD2 4.05Å; L302-L318 HydrophobicContact CG-CD2 4.37Å
303	E	97.5	Very high	94.3	Very high	129 Å²	129	35.3 Å²	35.3	60%	0.603	18%	0.175	S	C	*	.	H	α-helix	trans	-85.2	-51.2	176.2	-173	-163.3	141.9	0	0	111.6	K300 L301 R305	K300-E303 WeakPolarHBondContact CD-OE2 3.41Å; K300-E303 IonicContact NZ-OE1 3.27Å; K300-E303 PolarHBondContact NZ-OE1 3.14Å; K300-E303 IonicContact NZ-OE2 3.22Å; K300-E303 PolarHBondContact NZ-OE2 3.45Å; K300-E303 WeakPolarHBondContact O-CB 3.1Å; K300-E303 PolarHBondContact O-N 2.97Å; K300-E303 VanDerWaalsContact O-N 3.12Å; L301-E303 PolarHBondContact O-N 2.57Å; E303-R305 VanDerWaalsContact C-N 3.35Å; E303-R305 PolarHBondContact O-N 3.38Å
304	T	96.4	Very high	94.4	Very high	41 Å²	41	34.6 Å²	34.6	25%	0.252	17%	0.17	S	C	.	.	H	α-helix	trans	-72.5	-28.8	-174.8	61.3	0	0	0	0	113	Y295 K300 C306	Y295-T304 HydrophobicContact CD2-CG2 4.09Å; Y295-T304 HydrophobicContact CE2-CG2 3.98Å; K300-T304 HydrophobicContact CD-CG2 4.33Å; K300-T304 HydrophobicContact CG-CG2 4.11Å; K300-T304 PolarHBondContact O-N 3.35Å; K300-T304 PolarHBondContact O-OG1 3.15Å; T304-C306 PolarHBondContact O-N 2.81Å; T304-C306 PolarHBondContact O-SG 2.87Å
305	R	97.1	Very high	94.7	Very high	107 Å²	107	31.8 Å²	31.8	40%	0.404	16%	0.16	S	C	.	.			trans	51.9	29.5	174	-67.2	-175.9	-173.9	-171.5	-1.7	114.4	F241 F242 H243 L301 L302 E303	F241-R305 HydrophobicContact CE2-CG 4.11Å; F241-R305 HydrophobicContact CZ-CG 4.17Å; F241-R305 WeakPolarHBondContact O-CB 3.44Å; F242-R305 CarbonylContact C-O 3.51Å; F242-R305 WeakPolarHBondContact CA-O 3.14Å; H243-R305 PolarHBondContact N-O 3.34Å; H243-R305 PolarHBondContact ND1-O 2.96Å; L301-R305 WeakPolarHBondContact O-CA 3.48Å; L301-R305 PolarHBondContact O-N 3.13Å; L302-R305 WeakPolarHBondContact O-CG 3.47Å; L302-R305 PolarHBondContact O-NE 2.8Å; E303-R305 VanDerWaalsContact C-N 3.35Å; E303-R305 PolarHBondContact O-N 3.38Å
306	C	89.3	Confident	94.8	Very high	34 Å²	34	30.3 Å²	30.3	23%	0.23	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	157.8	-177.1	69.4	0	0	0	0	112.5	H243 V245 T304	H243-C306 HydrophobicContact CB-CB 4.22Å; H243-C306 CarbonylContact O-C 3.48Å; H243-C306 WeakPolarHBondContact O-CA 3.31Å; H243-C306 WeakPolarHBondContact O-CB 3.21Å; V245-C306 HydrophobicContact CG2-CB 3.65Å; T304-C306 PolarHBondContact O-N 2.81Å; T304-C306 PolarHBondContact O-SG 2.87Å
307	G	88.1	Confident	95	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.5	-157.6	177.8	0	0	0	0	0	113.5	H243 W244 V245 W312	H243-G307 PolarHBondContact O-N 3.23Å; W244-G307 WeakPolarHBondContact CA-O 3.27Å; V245-G307 PolarHBondContact N-O 3.25Å; G307-W312 PolarHBondContact O-NE1 3.01Å
308	R	84.1	Confident	95.2	Very high	44 Å²	44	24.6 Å²	24.6	17%	0.166	12%	0.123	C	C	.	.	S	Bend	trans	-115.5	-172.5	171.7	-59	-172.3	-168.7	115.3	-2.1	109.7	W244 V245 N246 E279 G310 E311 W312	W244-R308 HydrophobicContact CH2-CB 3.76Å; W244-R308 HydrophobicContact CH2-CG 4.14Å; W244-R308 HydrophobicContact CZ2-CB 4.12Å; W244-R308 HydrophobicContact CZ2-CG 3.97Å; W244-R308 HydrophobicContact CZ3-CB 4.03Å; V245-R308 VanDerWaalsContact O-CG 3.3Å; V245-R308 WeakPolarHBondContact O-CG 3.27Å; V245-R308 PolarHBondContact O-NE 3.31Å; N246-R308 PolarHBondContact O-NH2 3.49Å; E279-R308 IonicContact OE1-CZ 3.4Å; E279-R308 IonicContact OE1-NH1 3.55Å; E279-R308 PolarHBondContact OE1-NH1 3.42Å; E279-R308 IonicContact OE2-CZ 2.99Å; E279-R308 VanDerWaalsContact OE2-CZ 3.26Å; E279-R308 IonicContact OE2-NH1 2.69Å; E279-R308 PolarHBondContact OE2-NH1 3.25Å; E279-R308 IonicContact OE2-NH2 3.57Å; E279-R308 PolarHBondContact OE2-NH2 3.25Å; R308-G310 PolarHBondContact O-N 3.13Å; R308-E311 PolarHBondContact N-OE2 3.25Å; R308-E311 PolarHBondContact O-N 3.13Å; R308-W312 PolarHBondContact O-N 2.99Å
309	C	84.8	Confident	95.2	Very high	22 Å²	22	24.5 Å²	24.5	15%	0.149	12%	0.123	C	C	.	.	H	α-helix	trans	-46.6	-39	-174	58.1	0	0	0	0	114.6	W244 W312 A313 H336 V337 C355	W244-C309 HydrophobicContact CZ3-CB 4.5Å; C309-W312 PolarHBondContact O-N 3.27Å; C309-A313 WeakPolarHBondContact O-CB 3.49Å; C309-A313 PolarHBondContact O-N 2.72Å; C309-H336 WeakPolarHBondContact CB-ND1 3.45Å; C309-V337 WeakPolarHBondContact O-CG2 3.42Å; C309-C355 VanDerWaalsContact CA-SG 3.59Å
310	G	88.4	Confident	95.3	Very high	23 Å²	23	21.8 Å²	21.8	24%	0.237	11%	0.11	C	C	.	.	H	α-helix	trans	-52.8	-59	172.4	0	0	0	0	0	114.3	R308 N314	R308-G310 PolarHBondContact O-N 3.13Å; G310-N314 VanDerWaalsContact O-CB 3.25Å; G310-N314 WeakPolarHBondContact O-CB 3.44Å; G310-N314 PolarHBondContact O-N 2.89Å; G310-N314 VanDerWaalsContact O-N 3.13Å
311	E	96.4	Very high	95.3	Very high	10 Å²	10	21.7 Å²	21.7	5%	0.047	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-40.3	179.8	-68.1	80.1	-173.5	0	0	112.1	F242 R294 L301 R308 N314 C315	F242-E311 HydrophobicContact CE1-CB 4.17Å; F242-E311 HydrophobicContact CZ-CB 4.11Å; R294-E311 IonicContact CZ-OE1 3.91Å; R294-E311 IonicContact CZ-OE2 2.68Å; R294-E311 IonicContact NE-OE1 3.66Å; R294-E311 PolarHBondContact NE-OE1 2.86Å; R294-E311 IonicContact NE-OE2 2.76Å; R294-E311 IonicContact NH2-OE1 3.09Å; R294-E311 PolarHBondContact NH2-OE1 2.86Å; R294-E311 IonicContact NH2-OE2 3.9Å; R294-E311 PolarHBondContact NH2-OE2 3.41Å; L301-E311 HydrophobicContact CD1-CB 3.98Å; L301-E311 HydrophobicContact CD1-CG 4.29Å; L301-E311 WeakPolarHBondContact CD1-O 3.43Å; L301-E311 HydrophobicContact CD2-CB 3.97Å; L301-E311 HydrophobicContact CD2-CG 3.74Å; R308-E311 PolarHBondContact N-OE2 3.25Å; R308-E311 PolarHBondContact O-N 3.13Å; E311-N314 PolarHBondContact O-N 3.41Å; E311-C315 WeakPolarHBondContact O-CB 3.33Å; E311-C315 PolarHBondContact O-N 2.87Å
312	W	96.2	Very high	95.3	Very high	10 Å²	10	22.1 Å²	22.1	4%	0.038	11%	0.113	C	C	.	.	H	α-helix	trans	-59.6	-55	178.3	-81.5	68.4	0	0	0	111.4	F237 K238 F242 H243 W244 G307 R308 C309 N314 C315 F316 A354 C355	F237-W312 AromaticContact CD1-CE3 3.77Å; F237-W312 HydrophobicContact CD1-CE3 3.77Å; F237-W312 AromaticContact CD1-CZ3 3.85Å; F237-W312 HydrophobicContact CD1-CZ3 3.85Å; F237-W312 HydrophobicContact CE1-CB 4.5Å; F237-W312 HydrophobicContact CE1-CD2 4.1Å; F237-W312 AromaticContact CE1-CE3 3.51Å; F237-W312 HydrophobicContact CE1-CE3 3.51Å; F237-W312 HydrophobicContact CE1-CZ3 4Å; K238-W312 HydrophobicContact CB-CH2 4.37Å; K238-W312 HydrophobicContact CB-CZ3 4.05Å; K238-W312 HydrophobicContact CG-CH2 4.12Å; K238-W312 HydrophobicContact CG-CZ3 4.14Å; F242-W312 HydrophobicContact CB-CH2 4.28Å; F242-W312 HydrophobicContact CB-CZ2 4.37Å; F242-W312 HydrophobicContact CB-CZ3 4.37Å; F242-W312 AromaticContact CD1-CD1 3.58Å; F242-W312 AromaticContact CD1-CD2 3.71Å; F242-W312 HydrophobicContact CD1-CD2 3.71Å; F242-W312 AromaticContact CD1-CE2 3.56Å; F242-W312 HydrophobicContact CD1-CE3 4.41Å; F242-W312 AromaticContact CD1-CG 3.76Å; F242-W312 HydrophobicContact CD1-CG 3.76Å; F242-W312 HydrophobicContact CD1-CZ2 4.14Å; F242-W312 AromaticContact CD1-NE1 3.5Å; F242-W312 AromaticContact CE1-CD1 3.55Å; F242-W312 HydrophobicContact CE1-CD2 4.39Å; F242-W312 AromaticContact CE1-CG 3.95Å; F242-W312 HydrophobicContact CE1-CG 3.95Å; F242-W312 AromaticContact CE1-NE1 3.83Å; F242-W312 WeakPolarHBondContact O-CH2 3.41Å; F242-W312 WeakPolarHBondContact O-CZ2 3.36Å; H243-W312 PolarHBondContact O-NE1 3.47Å; W244-W312 HydrophobicContact CB-CZ2 4.26Å; W244-W312 AromaticContact CE3-NE1 3.85Å; G307-W312 PolarHBondContact O-NE1 3.01Å; R308-W312 PolarHBondContact O-N 2.99Å; C309-W312 PolarHBondContact O-N 3.27Å; W312-N314 VanDerWaalsContact C-N 3.33Å; W312-N314 PolarHBondContact O-N 2.76Å; W312-C315 PolarHBondContact O-N 3.47Å; W312-F316 WeakPolarHBondContact O-CB 3.3Å; W312-F316 PolarHBondContact O-N 3.35Å; W312-A354 HydrophobicContact CE3-CB 4.37Å; W312-A354 VanDerWaalsContact CZ3-O 3.3Å; W312-A354 WeakPolarHBondContact CZ3-O 3.09Å; W312-C355 WeakPolarHBondContact CB-SG 3.21Å; W312-C355 HydrophobicContact CE3-CB 4.4Å
313	A	96.8	Very high	95.3	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.033	12%	0.119	C	C	.	.	H	α-helix	trans	-64.5	-36.9	-179.6	0	0	0	0	0	112.3	C309 T317 Y329 V337	C309-A313 WeakPolarHBondContact O-CB 3.49Å; C309-A313 PolarHBondContact O-N 2.72Å; A313-T317 VanDerWaalsContact O-CB 3.28Å; A313-T317 WeakPolarHBondContact O-CB 3.25Å; A313-T317 PolarHBondContact O-N 3.4Å; A313-T317 PolarHBondContact O-OG1 2.91Å; A313-Y329 HydrophobicContact CB-CD2 4.49Å; A313-Y329 HydrophobicContact CB-CE2 4.11Å; A313-V337 HydrophobicContact CB-CB 4.29Å; A313-V337 HydrophobicContact CB-CG2 3.71Å
314	N	98	Very high	95.3	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-53.4	177.8	-172.5	0.4	0	0	0	111.3	Y185 N296 P298 L301 G310 E311 W312 T317 L318	Y185-N314 WeakPolarHBondContact CE1-O 3.34Å; Y185-N314 VanDerWaalsContact CE1-OD1 3.31Å; Y185-N314 WeakPolarHBondContact CE1-OD1 3.31Å; Y185-N314 PolarHBondContact OH-OD1 3.29Å; N296-N314 PolarHBondContact O-ND2 3.3Å; P298-N314 WeakPolarHBondContact CB-OD1 2.94Å; L301-N314 HydrophobicContact CD1-CB 4.02Å; G310-N314 VanDerWaalsContact O-CB 3.25Å; G310-N314 WeakPolarHBondContact O-CB 3.44Å; G310-N314 PolarHBondContact O-N 2.89Å; G310-N314 VanDerWaalsContact O-N 3.13Å; E311-N314 PolarHBondContact O-N 3.41Å; W312-N314 VanDerWaalsContact C-N 3.33Å; W312-N314 PolarHBondContact O-N 2.76Å; N314-T317 PolarHBondContact O-N 3.18Å; N314-L318 PolarHBondContact O-N 2.84Å
315	C	98.8	Very high	95.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.2	-42.4	179.7	-170.1	0	0	0	0	112	F237 F242 L301 E311 W312 T317 L318 C319	F237-C315 HydrophobicContact CE2-CB 4.22Å; F237-C315 HydrophobicContact CZ-CB 3.96Å; F242-C315 HydrophobicContact CD2-CB 4.48Å; F242-C315 HydrophobicContact CE2-CB 3.86Å; F242-C315 HydrophobicContact CZ-CB 4.29Å; L301-C315 HydrophobicContact CB-CB 3.89Å; L301-C315 HydrophobicContact CD1-CB 4.17Å; E311-C315 WeakPolarHBondContact O-CB 3.33Å; E311-C315 PolarHBondContact O-N 2.87Å; W312-C315 PolarHBondContact O-N 3.47Å; C315-T317 PolarHBondContact O-N 2.8Å; C315-L318 WeakPolarHBondContact O-CB 3.34Å; C315-L318 PolarHBondContact O-N 3.07Å; C315-C319 PolarHBondContact O-N 2.75Å; C315-C319 PolarHBondContact O-SG 2.9Å; C315-C319 VanDerWaalsContact O-SG 3.4Å
316	F	98.8	Very high	95.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.8	-39	178.3	-176.3	-101.2	0	0	0	112.7	L230 L233 L234 F237 W312 L318 C319 C320 T339 C352 A354	L230-F316 HydrophobicContact CD1-CZ 4.37Å; L233-F316 HydrophobicContact CD2-CE2 4Å; L233-F316 HydrophobicContact CD2-CZ 4.17Å; L233-F316 HydrophobicContact CG-CE2 3.83Å; L233-F316 HydrophobicContact CG-CZ 4.37Å; L234-F316 HydrophobicContact CD2-CE1 3.8Å; L234-F316 HydrophobicContact CD2-CE2 3.78Å; L234-F316 HydrophobicContact CD2-CZ 3.32Å; L234-F316 HydrophobicContact CG-CE1 4.45Å; L234-F316 HydrophobicContact CG-CE2 4.1Å; L234-F316 HydrophobicContact CG-CZ 3.62Å; F237-F316 HydrophobicContact CB-CD2 3.9Å; F237-F316 HydrophobicContact CB-CE2 4.19Å; F237-F316 HydrophobicContact CD1-CB 4.44Å; F237-F316 HydrophobicContact CD1-CD2 4.11Å; F237-F316 HydrophobicContact CD2-CB 4.36Å; F237-F316 AromaticContact CD2-CD2 3.82Å; F237-F316 HydrophobicContact CD2-CD2 3.82Å; F237-F316 HydrophobicContact CE1-CB 4.15Å; F237-F316 HydrophobicContact CE2-CB 4.06Å; F237-F316 HydrophobicContact CE2-CD2 4.36Å; F237-F316 AromaticContact CG-CD2 3.67Å; F237-F316 HydrophobicContact CG-CD2 3.67Å; F237-F316 HydrophobicContact CG-CE2 4.45Å; F237-F316 HydrophobicContact CZ-CB 3.96Å; W312-F316 WeakPolarHBondContact O-CB 3.3Å; W312-F316 PolarHBondContact O-N 3.35Å; F316-L318 VanDerWaalsContact C-N 3.31Å; F316-L318 PolarHBondContact O-N 2.85Å; F316-C319 WeakPolarHBondContact O-CB 3.47Å; F316-C319 PolarHBondContact O-N 2.78Å; F316-C319 VanDerWaalsContact O-N 3.17Å; F316-C320 WeakPolarHBondContact CE1-SG 3.48Å; F316-C320 PolarHBondContact O-N 3.32Å; F316-C320 PolarHBondContact O-SG 3.22Å; F316-T339 HydrophobicContact CD1-CG2 4.28Å; F316-T339 HydrophobicContact CE1-CG2 4.38Å; F316-C352 HydrophobicContact CE1-CB 4.21Å; F316-A354 HydrophobicContact CB-CB 3.79Å; F316-A354 HydrophobicContact CD1-CB 3.88Å; F316-A354 HydrophobicContact CD2-CB 3.67Å; F316-A354 HydrophobicContact CE1-CB 4.41Å; F316-A354 HydrophobicContact CE2-CB 4.22Å; F316-A354 HydrophobicContact CG-CB 3.49Å; F316-A354 VanDerWaalsContact CG-CB 3.49Å
317	T	98.8	Very high	95.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.8	-39.7	175.4	-54.6	0	0	0	0	110.9	Y185 A313 N314 C315 C320 R321 A327 T339	Y185-T317 HydrophobicContact CD2-CG2 3.74Å; Y185-T317 HydrophobicContact CE2-CG2 3.46Å; Y185-T317 VanDerWaalsContact CE2-CG2 3.46Å; Y185-T317 HydrophobicContact CG-CG2 4.48Å; A313-T317 VanDerWaalsContact O-CB 3.28Å; A313-T317 WeakPolarHBondContact O-CB 3.25Å; A313-T317 PolarHBondContact O-N 3.4Å; A313-T317 PolarHBondContact O-OG1 2.91Å; N314-T317 PolarHBondContact O-N 3.18Å; C315-T317 PolarHBondContact O-N 2.8Å; T317-C320 PolarHBondContact O-N 2.68Å; T317-R321 WeakPolarHBondContact O-CG 3.46Å; T317-R321 PolarHBondContact O-N 2.73Å; T317-A327 HydrophobicContact CG2-CB 4.24Å; T317-T339 HydrophobicContact CG2-CG2 4.32Å; T317-T339 PolarHBondContact OG1-OG1 3.19Å
318	L	98.8	Very high	96.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.9	-47.3	171.7	172.9	63.1	0	0	0	111.4	Y185 L190 Q191 A194 P298 L302 N314 C315 F316 C320 R321 A322	Y185-L318 HydrophobicContact CD1-CB 3.81Å; Y185-L318 HydrophobicContact CD1-CD1 4.31Å; Y185-L318 HydrophobicContact CE1-CB 4.2Å; L190-L318 HydrophobicContact CD1-CD2 3.81Å; L190-L318 HydrophobicContact CD2-CD1 3.99Å; L190-L318 HydrophobicContact CD2-CD2 4.02Å; L190-L318 HydrophobicContact CG-CD1 3.8Å; L190-L318 HydrophobicContact CG-CD2 3.72Å; L190-L318 HydrophobicContact CG-CG 4.44Å; Q191-L318 HydrophobicContact CG-CD1 4.46Å; A194-L318 HydrophobicContact CB-CD2 4.09Å; A194-L318 HydrophobicContact CB-CG 3.98Å; P298-L318 HydrophobicContact CB-CB 4.31Å; P298-L318 HydrophobicContact CB-CD2 3.87Å; P298-L318 HydrophobicContact CG-CD2 4.36Å; L302-L318 HydrophobicContact CD1-CD2 4.05Å; L302-L318 HydrophobicContact CG-CD2 4.37Å; N314-L318 PolarHBondContact O-N 2.84Å; C315-L318 WeakPolarHBondContact O-CB 3.34Å; C315-L318 PolarHBondContact O-N 3.07Å; F316-L318 VanDerWaalsContact C-N 3.31Å; F316-L318 PolarHBondContact O-N 2.85Å; L318-C320 VanDerWaalsContact C-N 3.31Å; L318-C320 PolarHBondContact O-N 2.92Å; L318-R321 PolarHBondContact O-N 3.15Å; L318-A322 WeakPolarHBondContact O-CB 3.36Å; L318-A322 PolarHBondContact O-N 2.88Å
319	C	98.8	Very high	97.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.4	-41.9	177.8	-67.1	0	0	0	0	112.2	I198 L233 C315 F316 A322 L323	I198-C319 HydrophobicContact CD1-CB 3.92Å; L233-C319 HydrophobicContact CD1-CB 4.45Å; L233-C319 HydrophobicContact CD2-CB 4.48Å; C315-C319 PolarHBondContact O-N 2.75Å; C315-C319 PolarHBondContact O-SG 2.9Å; C315-C319 VanDerWaalsContact O-SG 3.4Å; F316-C319 WeakPolarHBondContact O-CB 3.47Å; F316-C319 PolarHBondContact O-N 2.78Å; F316-C319 VanDerWaalsContact O-N 3.17Å; C319-A322 PolarHBondContact O-N 2.67Å; C319-L323 PolarHBondContact O-N 3.42Å; C319-L323 VanDerWaalsContact O-N 3.09Å
320	C	98.8	Very high	97.8	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.1	-49.3	174.9	-67	0	0	0	0	111.2	F316 T317 L318 A322 L323 G324 F325 A327 V341	F316-C320 WeakPolarHBondContact CE1-SG 3.48Å; F316-C320 PolarHBondContact O-N 3.32Å; F316-C320 PolarHBondContact O-SG 3.22Å; T317-C320 PolarHBondContact O-N 2.68Å; L318-C320 VanDerWaalsContact C-N 3.31Å; L318-C320 PolarHBondContact O-N 2.92Å; C320-A322 VanDerWaalsContact C-N 3.32Å; C320-A322 PolarHBondContact O-N 3.23Å; C320-L323 PolarHBondContact O-N 3.31Å; C320-G324 PolarHBondContact O-N 2.76Å; C320-F325 HydrophobicContact CB-CB 4.25Å; C320-F325 WeakPolarHBondContact O-CB 3.41Å; C320-F325 PolarHBondContact O-N 3.4Å; C320-A327 HydrophobicContact CB-CB 3.8Å; C320-V341 HydrophobicContact CB-CG2 4.35Å
321	R	98.6	Very high	98.3	Very high	19 Å²	19	12.8 Å²	12.8	7%	0.072	8%	0.076	C	C	.	.	H	α-helix	trans	-62.7	-39.3	179.2	-69.3	-57.7	-58.7	108.5	10.5	112.4	E186 T317 L318 L323 G324 F325 A327	E186-R321 IonicContact OE1-CZ 3.41Å; E186-R321 IonicContact OE1-NE 2.81Å; E186-R321 PolarHBondContact OE1-NE 2.81Å; E186-R321 IonicContact OE1-NH2 3.54Å; E186-R321 PolarHBondContact OE1-NH2 3.24Å; E186-R321 IonicContact OE2-CZ 3.36Å; E186-R321 IonicContact OE2-NE 2.96Å; E186-R321 IonicContact OE2-NH2 2.73Å; E186-R321 PolarHBondContact OE2-NH2 2.86Å; T317-R321 WeakPolarHBondContact O-CG 3.46Å; T317-R321 PolarHBondContact O-N 2.73Å; L318-R321 PolarHBondContact O-N 3.15Å; R321-L323 VanDerWaalsContact C-N 3.34Å; R321-L323 PolarHBondContact O-N 3.03Å; R321-G324 PolarHBondContact O-N 2.96Å; R321-F325 WeakPolarHBondContact CD-O 3.46Å; R321-F325 PolarHBondContact NH1-O 3.44Å; R321-A327 HydrophobicContact CG-CB 4.19Å
322	A	98.7	Very high	98.2	Very high	10 Å²	10	12.3 Å²	12.3	8%	0.083	7%	0.073	C	C	.	.	H	α-helix	trans	-63.9	-36.3	177.8	0	0	0	0	0	112.8	Q191 A194 L195 L318 C319 C320 G324	Q191-A322 HydrophobicContact CB-CB 3.99Å; Q191-A322 HydrophobicContact CG-CB 4.2Å; A194-A322 HydrophobicContact CB-CB 3.78Å; L195-A322 HydrophobicContact CD2-CB 4.34Å; L195-A322 WeakPolarHBondContact CD2-O 3.32Å; L195-A322 HydrophobicContact CG-CB 4.1Å; L318-A322 WeakPolarHBondContact O-CB 3.36Å; L318-A322 PolarHBondContact O-N 2.88Å; C319-A322 PolarHBondContact O-N 2.67Å; C320-A322 VanDerWaalsContact C-N 3.32Å; C320-A322 PolarHBondContact O-N 3.23Å; A322-G324 PolarHBondContact O-N 2.99Å
323	L	98.3	Very high	98.2	Very high	33 Å²	33	15.7 Å²	15.7	17%	0.173	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-1.1	173.2	-78.4	170	0	0	0	114.1	L195 I198 V200 L233 C319 C320 R321 F325	L195-L323 HydrophobicContact CD2-CD2 3.97Å; L195-L323 HydrophobicContact CD2-CG 4.33Å; I198-L323 HydrophobicContact CD1-CD1 4.32Å; I198-L323 HydrophobicContact CD1-CG 4.26Å; I198-L323 HydrophobicContact CG2-CD1 4.41Å; V200-L323 HydrophobicContact CB-CD2 4.49Å; V200-L323 HydrophobicContact CG1-CD2 3.86Å; V200-L323 HydrophobicContact CG2-CD2 3.94Å; L233-L323 HydrophobicContact CD1-CD1 3.61Å; L233-L323 HydrophobicContact CD2-CD1 3.71Å; L233-L323 HydrophobicContact CG-CD1 4.16Å; C319-L323 PolarHBondContact O-N 3.42Å; C319-L323 VanDerWaalsContact O-N 3.09Å; C320-L323 PolarHBondContact O-N 3.31Å; R321-L323 VanDerWaalsContact C-N 3.34Å; R321-L323 PolarHBondContact O-N 3.03Å; L323-F325 HydrophobicContact CB-CD2 3.81Å; L323-F325 HydrophobicContact CB-CE2 3.89Å; L323-F325 HydrophobicContact CD1-CE2 4.23Å
324	G	97.8	Very high	97.7	Very high	57 Å²	57	17.7 Å²	17.7	59%	0.588	10%	0.098	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.5	-1.4	177.2	0	0	0	0	0	114.9	C320 R321 A322	C320-G324 PolarHBondContact O-N 2.76Å; R321-G324 PolarHBondContact O-N 2.96Å; A322-G324 PolarHBondContact O-N 2.99Å
325	F	98.4	Very high	97.1	Very high	14 Å²	14	24.8 Å²	24.8	6%	0.061	14%	0.136	C	C	.	.			trans	-65.6	137.5	177.6	-68.2	-73.9	0	0	0	111.7	E226 L229 L230 C320 R321 L323 A327 V341	E226-F325 HydrophobicContact CB-CE1 3.99Å; E226-F325 WeakPolarHBondContact O-CE1 3.15Å; E226-F325 WeakPolarHBondContact O-CZ 3.49Å; L229-F325 HydrophobicContact CB-CZ 4.09Å; L229-F325 HydrophobicContact CD2-CE2 4.2Å; L229-F325 HydrophobicContact CD2-CZ 3.96Å; L229-F325 HydrophobicContact CG-CE2 4.24Å; L229-F325 HydrophobicContact CG-CZ 3.94Å; L230-F325 HydrophobicContact CB-CE1 4.23Å; L230-F325 HydrophobicContact CB-CZ 4.07Å; C320-F325 HydrophobicContact CB-CB 4.25Å; C320-F325 WeakPolarHBondContact O-CB 3.41Å; C320-F325 PolarHBondContact O-N 3.4Å; R321-F325 WeakPolarHBondContact CD-O 3.46Å; R321-F325 PolarHBondContact NH1-O 3.44Å; L323-F325 HydrophobicContact CB-CD2 3.81Å; L323-F325 HydrophobicContact CB-CE2 3.89Å; L323-F325 HydrophobicContact CD1-CE2 4.23Å; F325-A327 PolarHBondContact O-N 2.78Å; F325-V341 HydrophobicContact CB-CG1 3.84Å; F325-V341 HydrophobicContact CD1-CG1 3.74Å; F325-V341 HydrophobicContact CG-CG1 3.99Å
326	E	98.4	Very high	96.7	Very high	45 Å²	45	25.3 Å²	25.3	21%	0.21	14%	0.139	C	C	.	.			trans	-68.8	116.2	163.7	-63.5	-171.4	-135.3	0	0	108.9	V341 Y342 W349 R429 R436	E326-V341 WeakPolarHBondContact O-CA 3.38Å; E326-Y342 PolarHBondContact O-N 3.19Å; E326-W349 HydrophobicContact CB-CH2 4.17Å; E326-W349 WeakPolarHBondContact O-CZ3 3.38Å; E326-R429 VanDerWaalsContact CD-NH2 3.34Å; E326-R429 IonicContact OE1-CZ 3.88Å; E326-R429 IonicContact OE1-NH1 2.85Å; E326-R429 PolarHBondContact OE1-NH1 3.4Å; E326-R429 IonicContact OE1-NH2 2.74Å; E326-R429 IonicContact OE2-CZ 3.99Å; E326-R429 IonicContact OE2-NH1 3.26Å; E326-R429 IonicContact OE2-NH2 2.91Å; E326-R429 PolarHBondContact OE2-NH2 3.13Å; E326-R436 IonicContact OE1-CZ 3.32Å; E326-R436 IonicContact OE1-NH1 3.36Å; E326-R436 PolarHBondContact OE1-NH1 2.96Å; E326-R436 IonicContact OE1-NH2 2.83Å; E326-R436 PolarHBondContact OE1-NH2 3.29Å; E326-R436 IonicContact OE2-CZ 3.45Å; E326-R436 IonicContact OE2-NH1 3.64Å; E326-R436 PolarHBondContact OE2-NH1 3.17Å; E326-R436 IonicContact OE2-NH2 3.77Å
327	A	98.6	Very high	96.5	Very high	6 Å²	6	25.9 Å²	25.9	5%	0.05	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.5	-173.5	0	0	0	0	0	112.2	T317 C320 R321 F325 T339 E340 V341 S380	T317-A327 HydrophobicContact CG2-CB 4.24Å; C320-A327 HydrophobicContact CB-CB 3.8Å; R321-A327 HydrophobicContact CG-CB 4.19Å; F325-A327 PolarHBondContact O-N 2.78Å; A327-T339 HydrophobicContact CB-CG2 4.24Å; A327-E340 CarbonylContact C-O 3.58Å; A327-E340 WeakPolarHBondContact CA-O 3.44Å; A327-V341 HydrophobicContact CB-CG2 4.27Å; A327-S380 WeakPolarHBondContact O-CB 3.31Å
328	R	98.8	Very high	96.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.1	171.5	-67.5	157.5	172.6	-176.8	0.3	109.5	T339 E340 W349 A378 F379 E383 E440	R328-T339 CarbonylContact O-C 3.56Å; R328-T339 VanDerWaalsContact O-CA 3.25Å; R328-T339 WeakPolarHBondContact O-CA 3.43Å; R328-T339 WeakPolarHBondContact O-CG2 3.47Å; R328-E340 HydrophobicContact CB-CB 4.17Å; R328-E340 WeakPolarHBondContact CD-OE2 3.37Å; R328-E340 PolarHBondContact N-O 2.87Å; R328-E340 IonicContact NH1-OE2 2.69Å; R328-E340 PolarHBondContact NH1-OE2 3.43Å; R328-E340 PolarHBondContact O-N 3.43Å; R328-W349 HydrophobicContact CB-CZ3 4.33Å; R328-W349 HydrophobicContact CG-CE3 4.19Å; R328-W349 HydrophobicContact CG-CH2 3.71Å; R328-W349 HydrophobicContact CG-CZ2 4.33Å; R328-W349 HydrophobicContact CG-CZ3 3.62Å; R328-W349 VanDerWaalsContact CZ-CZ2 3.43Å; R328-W349 VanDerWaalsContact NE-CE2 3.27Å; R328-W349 VanDerWaalsContact NH2-CE2 3.29Å; R328-A378 HydrophobicContact CB-CB 4.07Å; R328-A378 HydrophobicContact CG-CB 4.3Å; R328-F379 CarbonylContact C-O 3.6Å; R328-F379 WeakPolarHBondContact CA-O 3.21Å; R328-E383 IonicContact NH2-OE2 2.89Å; R328-E440 IonicContact CZ-OE1 3.56Å; R328-E440 IonicContact CZ-OE2 2.83Å; R328-E440 IonicContact NH1-OE1 2.67Å; R328-E440 PolarHBondContact NH1-OE1 2.8Å; R328-E440 IonicContact NH1-OE2 2.8Å; R328-E440 PolarHBondContact NH1-OE2 3Å; R328-E440 VanDerWaalsContact NH1-OE2 3.09Å; R328-E440 IonicContact NH2-OE1 3.41Å; R328-E440 IonicContact NH2-OE2 3.65Å; R328-E440 PolarHBondContact NH2-OE2 2.83Å
329	Y	98.8	Very high	96.4	Very high	21 Å²	21	26 Å²	26	8%	0.082	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126	161.1	178.2	-95.5	0	0	0	108.6	V182 A313 W331 V337 A378 F379	V182-Y329 HydrophobicContact CG1-CG 4.5Å; A313-Y329 HydrophobicContact CB-CD2 4.49Å; A313-Y329 HydrophobicContact CB-CE2 4.11Å; Y329-W331 HydrophobicContact CE1-CB 4.27Å; Y329-V337 HydrophobicContact CE1-CG1 4.4Å; Y329-V337 HydrophobicContact CE2-CB 4.2Å; Y329-V337 HydrophobicContact CE2-CG2 4.34Å; Y329-V337 WeakPolarHBondContact OH-CG1 3.32Å; Y329-A378 CarbonylContact O-C 3.4Å; Y329-A378 WeakPolarHBondContact O-CA 3.47Å; Y329-F379 HydrophobicContact CD1-CD2 4.44Å; Y329-F379 PolarHBondContact N-O 3.26Å; Y329-F379 PolarHBondContact O-N 2.94Å
330	V	98.8	Very high	96.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129	-177.7	-172.7	0	0	0	0	109.8	V337 W338 E340 V376 A378 V387	V330-V337 VanDerWaalsContact O-CA 3.22Å; V330-V337 WeakPolarHBondContact O-CA 3.45Å; V330-V337 WeakPolarHBondContact O-CB 3.42Å; V330-W338 HydrophobicContact CB-CD2 4.11Å; V330-W338 HydrophobicContact CB-CG 4.1Å; V330-W338 HydrophobicContact CB-CZ2 4.42Å; V330-W338 HydrophobicContact CG1-CD2 4.14Å; V330-W338 VanDerWaalsContact CG1-CE2 3.42Å; V330-W338 HydrophobicContact CG1-CH2 4.39Å; V330-W338 HydrophobicContact CG1-CZ2 3.58Å; V330-W338 PolarHBondContact N-O 3.31Å; V330-W338 PolarHBondContact O-N 3.18Å; V330-E340 HydrophobicContact CG2-CB 4.22Å; V330-E340 HydrophobicContact CG2-CG 3.75Å; V330-V376 HydrophobicContact CG1-CG1 3.37Å; V330-A378 HydrophobicContact CG2-CB 3.95Å; V330-V387 HydrophobicContact CG1-CG2 4Å
331	W	98.1	Very high	96.4	Very high	39 Å²	39	26.1 Å²	26.1	15%	0.148	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.1	179.3	172.6	79.3	0	0	0	110.9	I171 V174 Y329 Y333 V337 V376 I377 F379	I171-W331 HydrophobicContact CG1-CH2 4.34Å; V174-W331 HydrophobicContact CB-CH2 4.21Å; V174-W331 HydrophobicContact CB-CZ2 4.37Å; V174-W331 HydrophobicContact CG1-CD2 3.76Å; V174-W331 HydrophobicContact CG1-CE3 3.88Å; V174-W331 HydrophobicContact CG1-CG 4.3Å; V174-W331 HydrophobicContact CG1-CH2 3.95Å; V174-W331 HydrophobicContact CG1-CZ2 3.94Å; V174-W331 HydrophobicContact CG1-CZ3 3.97Å; V174-W331 HydrophobicContact CG2-CH2 4.19Å; V174-W331 HydrophobicContact CG2-CZ2 4Å; Y329-W331 HydrophobicContact CE1-CB 4.27Å; W331-Y333 AromaticContact CH2-CD2 3.37Å; W331-Y333 HydrophobicContact CH2-CD2 3.37Å; W331-Y333 HydrophobicContact CH2-CE2 4.1Å; W331-Y333 HydrophobicContact CH2-CG 4.21Å; W331-Y333 AromaticContact CZ2-CD2 3.93Å; W331-Y333 HydrophobicContact CZ2-CD2 3.93Å; W331-Y333 HydrophobicContact CZ3-CD2 4.17Å; W331-V337 HydrophobicContact CB-CG1 4.49Å; W331-V376 CarbonylContact O-C 3.57Å; W331-V376 VanDerWaalsContact O-CA 3.31Å; W331-V376 WeakPolarHBondContact O-CA 3.43Å; W331-I377 HydrophobicContact CE3-CB 4.45Å; W331-I377 HydrophobicContact CE3-CG1 4.28Å; W331-I377 HydrophobicContact CZ3-CG1 4.43Å; W331-I377 PolarHBondContact N-O 3.01Å; W331-I377 PolarHBondContact O-N 3.41Å; W331-F379 HydrophobicContact CB-CE2 4.14Å
332	D	96	Very high	96.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.6	170.9	164.8	17.1	0	0	0	109.7	T334 D335 H336 W338 K371 L373 V376	D332-T334 PolarHBondContact O-N 2.81Å; D332-T334 PolarHBondContact OD1-N 2.8Å; D332-T334 PolarHBondContact OD1-OG1 2.87Å; D332-T334 PolarHBondContact OD2-OG1 2.89Å; D332-D335 PolarHBondContact O-N 3.28Å; D332-H336 WeakPolarHBondContact CB-O 3.42Å; D332-H336 PolarHBondContact N-O 3.24Å; D332-W338 HydrophobicContact CB-CH2 3.62Å; D332-W338 HydrophobicContact CB-CZ3 3.43Å; D332-W338 VanDerWaalsContact CB-CZ3 3.43Å; D332-K371 IonicContact OD2-NZ 3.34Å; D332-K371 PolarHBondContact OD2-NZ 2.83Å; D332-L373 WeakPolarHBondContact OD2-CD2 3.31Å; D332-V376 HydrophobicContact CB-CG1 4.49Å; D332-V376 HydrophobicContact CB-CG2 4.18Å
333	Y	94.9	Very high	96.3	Very high	81 Å²	81	25.2 Å²	25.2	32%	0.318	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.8	178.9	-165.6	-88.1	0	0	0	113.3	I171 W331 D335 Y375 K404	I171-Y333 HydrophobicContact CD1-CD2 3.99Å; I171-Y333 HydrophobicContact CD1-CE2 3.93Å; I171-Y333 HydrophobicContact CG1-CD2 3.82Å; I171-Y333 HydrophobicContact CG1-CE2 3.58Å; W331-Y333 AromaticContact CH2-CD2 3.37Å; W331-Y333 HydrophobicContact CH2-CD2 3.37Å; W331-Y333 HydrophobicContact CH2-CE2 4.1Å; W331-Y333 HydrophobicContact CH2-CG 4.21Å; W331-Y333 AromaticContact CZ2-CD2 3.93Å; W331-Y333 HydrophobicContact CZ2-CD2 3.93Å; W331-Y333 HydrophobicContact CZ3-CD2 4.17Å; Y333-D335 PolarHBondContact O-N 2.95Å; Y333-Y375 HydrophobicContact CD2-CD2 4.26Å; Y333-Y375 HydrophobicContact CG-CD2 4.3Å; Y333-Y375 PolarHBondContact N-O 2.64Å; Y333-K404 HydrophobicContact CE1-CG 4.49Å; Y333-K404 HydrophobicContact CE2-CG 4.45Å
334	T	87.8	Confident	96	Very high	45 Å²	45	26.2 Å²	26.2	28%	0.276	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	39.8	-179.4	65.6	0	0	0	0	113.1	D332 K371	D332-T334 PolarHBondContact O-N 2.81Å; D332-T334 PolarHBondContact OD1-N 2.8Å; D332-T334 PolarHBondContact OD1-OG1 2.87Å; D332-T334 PolarHBondContact OD2-OG1 2.89Å; T334-K371 WeakPolarHBondContact O-CE 3.46Å; T334-K371 PolarHBondContact O-NZ 3.46Å; T334-K371 WeakPolarHBondContact OG1-CE 3.44Å; T334-K371 PolarHBondContact OG1-NZ 3.13Å
335	D	85.1	Confident	95.7	Very high	150 Å²	150	24.5 Å²	24.5	80%	0.802	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	48	173.1	-161.4	30.6	0	0	0	114.2	D332 Y333	D332-D335 PolarHBondContact O-N 3.28Å; Y333-D335 PolarHBondContact O-N 2.95Å
336	H	89.3	Confident	95.1	Very high	12 Å²	12	25.9 Å²	25.9	6%	0.056	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	155.2	168.5	-164.5	53.2	0	0	0	111.1	C309 D332 W338 D353 Y365 W369	C309-H336 WeakPolarHBondContact CB-ND1 3.45Å; D332-H336 WeakPolarHBondContact CB-O 3.42Å; D332-H336 PolarHBondContact N-O 3.24Å; H336-W338 HydrophobicContact CB-CZ3 4.35Å; H336-W338 AromaticContact CD2-CE3 3.47Å; H336-W338 VanDerWaalsContact CD2-CE3 3.47Å; H336-W338 AromaticContact CD2-CZ3 3.76Å; H336-D353 IonicContact CD2-OD2 2.86Å; H336-D353 IonicContact CE1-OD2 3.99Å; H336-D353 IonicContact NE2-OD2 3.88Å; H336-D353 PolarHBondContact NE2-OD2 3.01Å; H336-Y365 AromaticContact CD2-CE1 3.48Å; H336-Y365 VanDerWaalsContact CD2-CE1 3.48Å; H336-Y365 WeakPolarHBondContact CD2-CE1 3.47Å; H336-Y365 AromaticContact CD2-CZ 3.92Å; H336-Y365 AromaticContact NE2-CE1 3.58Å; H336-W369 AromaticContact CE1-CH2 3.9Å; H336-W369 AromaticContact NE2-CH2 3.76Å; H336-W369 AromaticContact NE2-CZ3 3.98Å
337	V	94.4	Very high	94.8	Very high	12 Å²	12	29.2 Å²	29.2	7%	0.073	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	148.6	-178.2	-59.5	0	0	0	0	110	C309 A313 Y329 V330 W331	C309-V337 WeakPolarHBondContact O-CG2 3.42Å; A313-V337 HydrophobicContact CB-CB 4.29Å; A313-V337 HydrophobicContact CB-CG2 3.71Å; Y329-V337 HydrophobicContact CE1-CG1 4.4Å; Y329-V337 HydrophobicContact CE2-CB 4.2Å; Y329-V337 HydrophobicContact CE2-CG2 4.34Å; Y329-V337 WeakPolarHBondContact OH-CG1 3.32Å; V330-V337 VanDerWaalsContact O-CA 3.22Å; V330-V337 WeakPolarHBondContact O-CA 3.45Å; V330-V337 WeakPolarHBondContact O-CB 3.42Å; W331-V337 HydrophobicContact CB-CG1 4.49Å
338	W	98.4	Very high	94.7	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	-166.6	-178.8	62.2	89.3	0	0	0	110.7	V330 D332 H336 H351 D353 Y365 V376 Y391	V330-W338 HydrophobicContact CB-CD2 4.11Å; V330-W338 HydrophobicContact CB-CG 4.1Å; V330-W338 HydrophobicContact CB-CZ2 4.42Å; V330-W338 HydrophobicContact CG1-CD2 4.14Å; V330-W338 VanDerWaalsContact CG1-CE2 3.42Å; V330-W338 HydrophobicContact CG1-CH2 4.39Å; V330-W338 HydrophobicContact CG1-CZ2 3.58Å; V330-W338 PolarHBondContact N-O 3.31Å; V330-W338 PolarHBondContact O-N 3.18Å; D332-W338 HydrophobicContact CB-CH2 3.62Å; D332-W338 HydrophobicContact CB-CZ3 3.43Å; D332-W338 VanDerWaalsContact CB-CZ3 3.43Å; H336-W338 HydrophobicContact CB-CZ3 4.35Å; H336-W338 AromaticContact CD2-CE3 3.47Å; H336-W338 VanDerWaalsContact CD2-CE3 3.47Å; H336-W338 AromaticContact CD2-CZ3 3.76Å; W338-H351 AromaticContact CD1-CD2 3.56Å; W338-H351 AromaticContact NE1-CD2 3.67Å; W338-D353 HydrophobicContact CB-CB 4.35Å; W338-Y365 AromaticContact CD2-CE2 3.74Å; W338-Y365 HydrophobicContact CD2-CE2 3.74Å; W338-Y365 AromaticContact CD2-CZ 3.76Å; W338-Y365 VanDerWaalsContact CD2-OH 3.24Å; W338-Y365 AromaticContact CE2-CE2 3.65Å; W338-Y365 HydrophobicContact CE3-CE1 4.41Å; W338-Y365 AromaticContact CE3-CE2 3.74Å; W338-Y365 HydrophobicContact CE3-CE2 3.74Å; W338-Y365 AromaticContact CE3-CZ 3.63Å; W338-Y365 HydrophobicContact CG-CE2 4.49Å; W338-Y365 VanDerWaalsContact CG-OH 3.32Å; W338-Y365 AromaticContact CH2-CD2 3.75Å; W338-Y365 HydrophobicContact CH2-CD2 3.75Å; W338-Y365 AromaticContact CH2-CE2 3.54Å; W338-Y365 HydrophobicContact CH2-CE2 3.54Å; W338-Y365 HydrophobicContact CZ2-CD2 4.07Å; W338-Y365 AromaticContact CZ2-CE2 3.56Å; W338-Y365 HydrophobicContact CZ2-CE2 3.56Å; W338-Y365 HydrophobicContact CZ3-CD2 4.02Å; W338-Y365 AromaticContact CZ3-CE2 3.65Å; W338-Y365 HydrophobicContact CZ3-CE2 3.65Å; W338-Y365 AromaticContact CZ3-CZ 3.9Å; W338-V376 HydrophobicContact CH2-CG1 3.6Å; W338-V376 HydrophobicContact CH2-CG2 4.3Å; W338-V376 HydrophobicContact CZ2-CG1 3.42Å; W338-V376 VanDerWaalsContact CZ2-CG1 3.42Å; W338-Y391 AromaticContact CE2-CE1 3.53Å; W338-Y391 AromaticContact CE2-CZ 3.62Å; W338-Y391 HydrophobicContact CH2-CD1 4.29Å; W338-Y391 HydrophobicContact CH2-CE1 4.49Å; W338-Y391 HydrophobicContact CH2-CG 4.45Å; W338-Y391 AromaticContact CZ2-CD1 3.51Å; W338-Y391 HydrophobicContact CZ2-CD1 3.51Å; W338-Y391 AromaticContact CZ2-CD2 3.88Å; W338-Y391 HydrophobicContact CZ2-CD2 3.88Å; W338-Y391 AromaticContact CZ2-CE1 3.37Å; W338-Y391 HydrophobicContact CZ2-CE1 3.37Å; W338-Y391 AromaticContact CZ2-CE2 3.78Å; W338-Y391 HydrophobicContact CZ2-CE2 3.78Å; W338-Y391 AromaticContact CZ2-CG 3.78Å; W338-Y391 HydrophobicContact CZ2-CG 3.78Å; W338-Y391 AromaticContact CZ2-CZ 3.54Å; W338-Y391 AromaticContact NE1-CE1 3.33Å; W338-Y391 VanDerWaalsContact NE1-CE1 3.33Å; W338-Y391 AromaticContact NE1-CZ 3.14Å; W338-Y391 PolarHBondContact NE1-OH 3.43Å
339	T	98.8	Very high	94.6	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	146	-176.5	-54.3	0	0	0	0	111.1	F316 T317 A327 R328 V341 C352	F316-T339 HydrophobicContact CD1-CG2 4.28Å; F316-T339 HydrophobicContact CE1-CG2 4.38Å; T317-T339 HydrophobicContact CG2-CG2 4.32Å; T317-T339 PolarHBondContact OG1-OG1 3.19Å; A327-T339 HydrophobicContact CB-CG2 4.24Å; R328-T339 CarbonylContact O-C 3.56Å; R328-T339 VanDerWaalsContact O-CA 3.25Å; R328-T339 WeakPolarHBondContact O-CA 3.43Å; R328-T339 WeakPolarHBondContact O-CG2 3.47Å; T339-V341 HydrophobicContact CG2-CG2 4.11Å; T339-C352 CarbonylContact C-O 3.55Å; T339-C352 PolarHBondContact N-O 3.28Å; T339-C352 CarbonylContact O-C 3.55Å; T339-C352 WeakPolarHBondContact O-CA 3.49Å; T339-C352 WeakPolarHBondContact O-CB 3.4Å; T339-C352 PolarHBondContact O-N 3.42Å
340	E	98.8	Very high	94.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143.2	160.1	-76.9	172.2	172.1	0	0	109.6	A327 R328 V330 W349 L350 R390 Y391	A327-E340 CarbonylContact C-O 3.58Å; A327-E340 WeakPolarHBondContact CA-O 3.44Å; R328-E340 HydrophobicContact CB-CB 4.17Å; R328-E340 WeakPolarHBondContact CD-OE2 3.37Å; R328-E340 PolarHBondContact N-O 2.87Å; R328-E340 IonicContact NH1-OE2 2.69Å; R328-E340 PolarHBondContact NH1-OE2 3.43Å; R328-E340 PolarHBondContact O-N 3.43Å; V330-E340 HydrophobicContact CG2-CB 4.22Å; V330-E340 HydrophobicContact CG2-CG 3.75Å; E340-W349 HydrophobicContact CB-CE3 3.84Å; E340-L350 CarbonylContact C-O 3.55Å; E340-L350 VanDerWaalsContact CA-O 3.24Å; E340-L350 WeakPolarHBondContact CA-O 3.34Å; E340-R390 IonicContact OE1-CZ 3.63Å; E340-R390 IonicContact OE1-NH1 3.58Å; E340-R390 PolarHBondContact OE1-NH1 3.05Å; E340-R390 IonicContact OE2-NH1 2.8Å; E340-R390 PolarHBondContact OE2-NH1 3.24Å; E340-Y391 VanDerWaalsContact CG-OH 3.25Å; E340-Y391 WeakPolarHBondContact CG-OH 3.44Å; E340-Y391 WeakPolarHBondContact OE1-CE2 3.29Å; E340-Y391 PolarHBondContact OE1-OH 3.08Å
341	V	98.6	Very high	94.4	Very high	2 Å²	2	31 Å²	31	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131	175.6	175	0	0	0	0	109.9	L230 C320 F325 E326 A327 T339 L350	L230-V341 HydrophobicContact CD1-CB 4.16Å; L230-V341 HydrophobicContact CD1-CG1 4.23Å; L230-V341 HydrophobicContact CD1-CG2 3.81Å; L230-V341 HydrophobicContact CD2-CB 3.82Å; L230-V341 HydrophobicContact CD2-CG1 3.84Å; L230-V341 HydrophobicContact CD2-CG2 4.38Å; C320-V341 HydrophobicContact CB-CG2 4.35Å; F325-V341 HydrophobicContact CB-CG1 3.84Å; F325-V341 HydrophobicContact CD1-CG1 3.74Å; F325-V341 HydrophobicContact CG-CG1 3.99Å; E326-V341 WeakPolarHBondContact O-CA 3.38Å; A327-V341 HydrophobicContact CB-CG2 4.27Å; T339-V341 HydrophobicContact CG2-CG2 4.11Å; V341-L350 PolarHBondContact N-O 2.7Å; V341-L350 WeakPolarHBondContact O-CB 3.32Å; V341-L350 PolarHBondContact O-N 3.05Å
342	Y	98.1	Very high	94.3	Very high	8 Å²	8	29.1 Å²	29.1	3%	0.031	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.7	177.7	-169	-101.3	0	0	0	110.5	E326 P344 Q347 W349 R436	E326-Y342 PolarHBondContact O-N 3.19Å; Y342-P344 HydrophobicContact CD1-CG 4.44Å; Y342-P344 WeakPolarHBondContact O-CD 3.2Å; Y342-Q347 WeakPolarHBondContact OH-CA 3.47Å; Y342-Q347 PolarHBondContact OH-OE1 2.85Å; Y342-W349 AromaticContact CD2-CD1 3.77Å; Y342-W349 AromaticContact CD2-CD2 3.94Å; Y342-W349 HydrophobicContact CD2-CD2 3.94Å; Y342-W349 AromaticContact CD2-CE2 3.71Å; Y342-W349 AromaticContact CD2-CG 3.97Å; Y342-W349 HydrophobicContact CD2-CG 3.97Å; Y342-W349 HydrophobicContact CD2-CZ2 4.32Å; Y342-W349 AromaticContact CD2-NE1 3.59Å; Y342-W349 HydrophobicContact CG-CD2 4.48Å; Y342-R436 VanDerWaalsContact CD1-NH1 3.31Å; Y342-R436 HydrophobicContact CE2-CG 4.02Å; Y342-R436 VanDerWaalsContact CZ-NE 3.34Å; Y342-R436 WeakPolarHBondContact OH-CG 3.41Å; Y342-R436 PolarHBondContact OH-NE 3.45Å
343	S	95.6	Very high	94.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	110.4	174.5	173.6	0	0	0	0	109.8	D227 S345 Q346 Q347 R348	D227-S343 VanDerWaalsContact CG-OG 3.3Å; D227-S343 VanDerWaalsContact OD1-CB 3.26Å; D227-S343 WeakPolarHBondContact OD1-CB 3.42Å; D227-S343 PolarHBondContact OD1-OG 2.95Å; D227-S343 PolarHBondContact OD2-OG 3.4Å; S343-S345 VanDerWaalsContact C-N 3.29Å; S343-S345 PolarHBondContact O-N 3.44Å; S343-S345 PolarHBondContact OG-OG 3.39Å; S343-S345 VanDerWaalsContact OG-OG 3.13Å; S343-Q346 PolarHBondContact O-N 2.92Å; S343-Q346 PolarHBondContact OG-N 3.3Å; S343-Q346 PolarHBondContact OG-NE2 2.88Å; S343-Q347 WeakPolarHBondContact O-CA 3.36Å; S343-Q347 PolarHBondContact O-N 3.47Å; S343-R348 PolarHBondContact N-O 3.27Å; S343-R348 PolarHBondContact O-N 3.45Å
344	P	93.3	Very high	94.1	Very high	54 Å²	54	25.5 Å²	25.5	35%	0.351	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-32.8	176.4	-23	35.2	0	0	0	112.8	Y342 Q347	Y342-P344 HydrophobicContact CD1-CG 4.44Å; Y342-P344 WeakPolarHBondContact O-CD 3.2Å; P344-Q347 PolarHBondContact O-NE2 2.81Å
345	S	89.9	Confident	93.6	Very high	21 Å²	21	23.9 Å²	23.9	15%	0.147	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-45.9	175.2	19	0	0	0	0	111.9	N222 S224 D227 S343	N222-S345 PolarHBondContact ND2-O 2.83Å; N222-S345 PolarHBondContact OD1-O 3.39Å; S224-S345 VanDerWaalsContact CB-OG 3.24Å; S224-S345 WeakPolarHBondContact CB-OG 3.43Å; S224-S345 PolarHBondContact N-OG 3.09Å; S224-S345 PolarHBondContact OG-OG 3.23Å; D227-S345 VanDerWaalsContact CG-OG 3.24Å; D227-S345 PolarHBondContact OD1-OG 3.2Å; D227-S345 PolarHBondContact OD2-OG 3.25Å; S343-S345 VanDerWaalsContact C-N 3.29Å; S343-S345 PolarHBondContact O-N 3.44Å; S343-S345 PolarHBondContact OG-OG 3.39Å; S343-S345 VanDerWaalsContact OG-OG 3.13Å
346	Q	86.3	Confident	93.3	Very high	44 Å²	44	20.2 Å²	20.2	21%	0.206	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-5.5	-176.6	-65.3	179.5	86.4	0	0	113.9	S343 R348	S343-Q346 PolarHBondContact O-N 2.92Å; S343-Q346 PolarHBondContact OG-N 3.3Å; S343-Q346 PolarHBondContact OG-NE2 2.88Å; Q346-R348 VanDerWaalsContact C-N 3.25Å; Q346-R348 HydrophobicContact CB-CG 4.08Å; Q346-R348 PolarHBondContact O-N 3.37Å
347	Q	93.4	Very high	93.1	Very high	114 Å²	114	20.8 Å²	20.8	53%	0.533	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	39.4	-179.9	-65.3	-70.9	-49.4	0	0	113.2	Y342 S343 P344	Y342-Q347 WeakPolarHBondContact OH-CA 3.47Å; Y342-Q347 PolarHBondContact OH-OE1 2.85Å; S343-Q347 WeakPolarHBondContact O-CA 3.36Å; S343-Q347 PolarHBondContact O-N 3.47Å; P344-Q347 PolarHBondContact O-NE2 2.81Å
348	R	94.8	Very high	92.5	Very high	56 Å²	56	21 Å²	21	21%	0.211	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	165.8	178.9	69.1	-178.4	179.9	91.6	0.9	112.7	S343 Q346 L350 D360	S343-R348 PolarHBondContact N-O 3.27Å; S343-R348 PolarHBondContact O-N 3.45Å; Q346-R348 VanDerWaalsContact C-N 3.25Å; Q346-R348 HydrophobicContact CB-CG 4.08Å; Q346-R348 PolarHBondContact O-N 3.37Å; R348-L350 HydrophobicContact CG-CD2 4.22Å; R348-L350 VanDerWaalsContact NH1-CD2 3.29Å; R348-D360 IonicContact CZ-OD1 3.99Å; R348-D360 IonicContact CZ-OD2 2.78Å; R348-D360 IonicContact NH1-OD1 2.99Å; R348-D360 PolarHBondContact NH1-OD1 3.13Å; R348-D360 IonicContact NH1-OD2 3.9Å; R348-D360 IonicContact NH2-OD1 3.41Å; R348-D360 PolarHBondContact NH2-OD1 3.06Å; R348-D360 IonicContact NH2-OD2 3.53Å; R348-D360 PolarHBondContact NH2-OD2 3.32Å
349	W	97.6	Very high	92.1	Very high	7 Å²	7	20.9 Å²	20.9	3%	0.027	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	136.2	171.1	-67.6	90.8	0	0	0	111.5	E326 R328 E340 Y342 E440	E326-W349 HydrophobicContact CB-CH2 4.17Å; E326-W349 WeakPolarHBondContact O-CZ3 3.38Å; R328-W349 HydrophobicContact CB-CZ3 4.33Å; R328-W349 HydrophobicContact CG-CE3 4.19Å; R328-W349 HydrophobicContact CG-CH2 3.71Å; R328-W349 HydrophobicContact CG-CZ2 4.33Å; R328-W349 HydrophobicContact CG-CZ3 3.62Å; R328-W349 VanDerWaalsContact CZ-CZ2 3.43Å; R328-W349 VanDerWaalsContact NE-CE2 3.27Å; R328-W349 VanDerWaalsContact NH2-CE2 3.29Å; E340-W349 HydrophobicContact CB-CE3 3.84Å; Y342-W349 AromaticContact CD2-CD1 3.77Å; Y342-W349 AromaticContact CD2-CD2 3.94Å; Y342-W349 HydrophobicContact CD2-CD2 3.94Å; Y342-W349 AromaticContact CD2-CE2 3.71Å; Y342-W349 AromaticContact CD2-CG 3.97Å; Y342-W349 HydrophobicContact CD2-CG 3.97Å; Y342-W349 HydrophobicContact CD2-CZ2 4.32Å; Y342-W349 AromaticContact CD2-NE1 3.59Å; Y342-W349 HydrophobicContact CG-CD2 4.48Å; W349-E440 PolarHBondContact NE1-OE2 3.1Å
350	L	96	Very high	91.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.6	175.9	-54.6	-174.4	0	0	0	109.4	L230 E340 V341 R348 W465	L230-L350 HydrophobicContact CD2-CD1 4.22Å; E340-L350 CarbonylContact C-O 3.55Å; E340-L350 VanDerWaalsContact CA-O 3.24Å; E340-L350 WeakPolarHBondContact CA-O 3.34Å; V341-L350 PolarHBondContact N-O 2.7Å; V341-L350 WeakPolarHBondContact O-CB 3.32Å; V341-L350 PolarHBondContact O-N 3.05Å; R348-L350 HydrophobicContact CG-CD2 4.22Å; R348-L350 VanDerWaalsContact NH1-CD2 3.29Å; L350-W465 HydrophobicContact CD1-CH2 3.58Å; L350-W465 HydrophobicContact CD1-CZ2 3.84Å; L350-W465 HydrophobicContact CD1-CZ3 4.49Å
351	H	97.1	Very high	90.9	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	131.7	167.9	159.2	-110.6	0	0	0	110.4	W338 C359 D360 K361 P362 Y365 Y391	W338-H351 AromaticContact CD1-CD2 3.56Å; W338-H351 AromaticContact NE1-CD2 3.67Å; H351-C359 CarbonylContact O-C 3.55Å; H351-C359 VanDerWaalsContact O-CA 3.3Å; H351-C359 WeakPolarHBondContact O-CA 3.41Å; H351-D360 PolarHBondContact O-N 3.46Å; H351-K361 PolarHBondContact CE1-O 2.87Å; H351-K361 VanDerWaalsContact ND1-C 3.35Å; H351-K361 PolarHBondContact ND1-N 3.48Å; H351-K361 PolarHBondContact ND1-O 3.01Å; H351-P362 HydrophobicContact CB-CB 4.16Å; H351-Y365 AromaticContact NE2-CE2 3.61Å; H351-Y365 AromaticContact NE2-CZ 3.46Å; H351-Y365 PolarHBondContact NE2-OH 3.38Å; H351-Y391 HydrophobicContact CB-CE1 4.1Å; H351-Y391 AromaticContact CD2-CE1 3.54Å; H351-Y391 AromaticContact CG-CE1 3.92Å
352	C	97.2	Very high	90.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	114.7	177.7	-59.8	0	0	0	0	110.5	L234 F316 T339 V358	L234-C352 HydrophobicContact CD2-CB 4.4Å; F316-C352 HydrophobicContact CE1-CB 4.21Å; T339-C352 CarbonylContact C-O 3.55Å; T339-C352 PolarHBondContact N-O 3.28Å; T339-C352 CarbonylContact O-C 3.55Å; T339-C352 WeakPolarHBondContact O-CA 3.49Å; T339-C352 WeakPolarHBondContact O-CB 3.4Å; T339-C352 PolarHBondContact O-N 3.42Å; C352-V358 WeakPolarHBondContact CA-O 3.4Å
353	D	93.8	Very high	90	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.011	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	105.5	173	-164.4	-37.7	0	0	0	109.5	H336 W338 C355 E356 D357 V358 Y365	H336-D353 IonicContact CD2-OD2 2.86Å; H336-D353 IonicContact CE1-OD2 3.99Å; H336-D353 IonicContact NE2-OD2 3.88Å; H336-D353 PolarHBondContact NE2-OD2 3.01Å; W338-D353 HydrophobicContact CB-CB 4.35Å; D353-C355 WeakPolarHBondContact OD1-CB 2.93Å; D353-C355 PolarHBondContact OD1-N 3.34Å; D353-E356 HydrophobicContact CB-CB 4.23Å; D353-E356 HydrophobicContact CB-CG 4.46Å; D353-E356 PolarHBondContact O-N 3.28Å; D353-E356 PolarHBondContact OD1-N 3.05Å; D353-D357 PolarHBondContact O-N 3.36Å; D353-V358 HydrophobicContact CB-CB 4.49Å; D353-V358 PolarHBondContact N-O 2.6Å; D353-V358 PolarHBondContact O-N 2.72Å; D353-Y365 WeakPolarHBondContact OD2-CE1 3.28Å; D353-Y365 PolarHBondContact OD2-OH 3.35Å
354	A	90.9	Very high	89.3	Confident	4 Å²	4	24.4 Å²	24.4	3%	0.033	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-29.2	-178.3	0	0	0	0	0	112.7	L234 F237 W312 F316 E356 D357	L234-A354 HydrophobicContact CD2-CB 4.06Å; F237-A354 HydrophobicContact CD1-CB 3.94Å; F237-A354 HydrophobicContact CE1-CB 4.27Å; W312-A354 HydrophobicContact CE3-CB 4.37Å; W312-A354 VanDerWaalsContact CZ3-O 3.3Å; W312-A354 WeakPolarHBondContact CZ3-O 3.09Å; F316-A354 HydrophobicContact CB-CB 3.79Å; F316-A354 HydrophobicContact CD1-CB 3.88Å; F316-A354 HydrophobicContact CD2-CB 3.67Å; F316-A354 HydrophobicContact CE1-CB 4.41Å; F316-A354 HydrophobicContact CE2-CB 4.22Å; F316-A354 HydrophobicContact CG-CB 3.49Å; F316-A354 VanDerWaalsContact CG-CB 3.49Å; A354-E356 PolarHBondContact O-N 3.22Å; A354-D357 PolarHBondContact O-N 3.36Å
355	C	78.7	Confident	88.8	Confident	10 Å²	10	21.9 Å²	21.9	7%	0.068	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-35.7	174.4	-67.9	0	0	0	0	110.7	K238 C309 W312 D353	K238-C355 WeakPolarHBondContact CE-O 3.46Å; K238-C355 PolarHBondContact NZ-O 2.74Å; C309-C355 VanDerWaalsContact CA-SG 3.59Å; W312-C355 WeakPolarHBondContact CB-SG 3.21Å; W312-C355 HydrophobicContact CE3-CB 4.4Å; D353-C355 WeakPolarHBondContact OD1-CB 2.93Å; D353-C355 PolarHBondContact OD1-N 3.34Å
356	E	77.9	Confident	88.7	Confident	74 Å²	74	21.2 Å²	21.2	35%	0.346	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-12.8	-175.6	-59.4	-54	134.8	0	0	113.5	K238 D353 A354 V358 L364 W369	K238-E356 VanDerWaalsContact NZ-C 3.28Å; K238-E356 PolarHBondContact NZ-O 3.35Å; D353-E356 HydrophobicContact CB-CB 4.23Å; D353-E356 HydrophobicContact CB-CG 4.46Å; D353-E356 PolarHBondContact O-N 3.28Å; D353-E356 PolarHBondContact OD1-N 3.05Å; A354-E356 PolarHBondContact O-N 3.22Å; E356-V358 VanDerWaalsContact C-N 3.3Å; E356-V358 HydrophobicContact CB-CB 4.06Å; E356-V358 HydrophobicContact CB-CG2 3.64Å; E356-L364 HydrophobicContact CB-CD2 4.36Å; E356-L364 HydrophobicContact CG-CD2 4.19Å; E356-W369 HydrophobicContact CG-CH2 4.38Å; E356-W369 HydrophobicContact CG-CZ2 3.83Å
357	D	85.1	Confident	88.3	Confident	24 Å²	24	21.1 Å²	21.1	13%	0.128	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	51	-166.9	179.4	36.3	0	0	0	110.4	L234 H235 K238 D353 A354 R458	L234-D357 WeakPolarHBondContact CB-OD1 3.34Å; H235-D357 PolarHBondContact N-OD1 3.04Å; H235-D357 IonicContact ND1-OD2 3.7Å; K238-D357 HydrophobicContact CB-CB 4.26Å; K238-D357 HydrophobicContact CD-CB 3.36Å; K238-D357 HydrophobicContact CG-CB 4.43Å; D353-D357 PolarHBondContact O-N 3.36Å; A354-D357 PolarHBondContact O-N 3.36Å; D357-R458 IonicContact OD2-NH2 2.76Å
358	V	82.2	Confident	87.3	Confident	15 Å²	15	17 Å²	17	9%	0.091	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.4	-176	169.8	0	0	0	0	110.2	C352 D353 E356 K361 L364	C352-V358 WeakPolarHBondContact CA-O 3.4Å; D353-V358 HydrophobicContact CB-CB 4.49Å; D353-V358 PolarHBondContact N-O 2.6Å; D353-V358 PolarHBondContact O-N 2.72Å; E356-V358 VanDerWaalsContact C-N 3.3Å; E356-V358 HydrophobicContact CB-CB 4.06Å; E356-V358 HydrophobicContact CB-CG2 3.64Å; V358-K361 HydrophobicContact CG1-CB 3.64Å; V358-K361 HydrophobicContact CG1-CD 3.86Å; V358-K361 HydrophobicContact CG1-CG 3.85Å; V358-L364 HydrophobicContact CB-CD2 4.45Å; V358-L364 HydrophobicContact CG1-CD2 4.27Å; V358-L364 HydrophobicContact CG2-CD2 4.33Å
359	C	89.4	Confident	86.4	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.007	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.6	170	-174.6	0	0	0	0	110.2	L231 L234 H351 K361 W465	L231-C359 HydrophobicContact CD2-CB 3.58Å; L234-C359 HydrophobicContact CD1-CB 3.65Å; H351-C359 CarbonylContact O-C 3.55Å; H351-C359 VanDerWaalsContact O-CA 3.3Å; H351-C359 WeakPolarHBondContact O-CA 3.41Å; C359-K361 PolarHBondContact O-N 2.86Å; C359-W465 HydrophobicContact CB-CZ3 4.44Å
360	D	89.8	Confident	85.4	Confident	28 Å²	28	21.9 Å²	21.9	15%	0.15	13%	0.125	C	C	.	.	S	Bend	trans	62.3	33.5	172.5	-161.6	38.8	0	0	0	115.7	R348 H351 P362	R348-D360 IonicContact CZ-OD1 3.99Å; R348-D360 IonicContact CZ-OD2 2.78Å; R348-D360 IonicContact NH1-OD1 2.99Å; R348-D360 PolarHBondContact NH1-OD1 3.13Å; R348-D360 IonicContact NH1-OD2 3.9Å; R348-D360 IonicContact NH2-OD1 3.41Å; R348-D360 PolarHBondContact NH2-OD1 3.06Å; R348-D360 IonicContact NH2-OD2 3.53Å; R348-D360 PolarHBondContact NH2-OD2 3.32Å; H351-D360 PolarHBondContact O-N 3.46Å; D360-P362 VanDerWaalsContact C-CD 3.46Å; D360-P362 WeakPolarHBondContact O-CD 3.22Å
361	K	83.8	Confident	84.7	Confident	20 Å²	20	23.6 Å²	23.6	9%	0.087	13%	0.132	C	C	.	.			trans	-121.4	66	173.6	-52.3	-177	-178.2	170.4	0	112.7	H351 V358 C359 L363 L364 R458 S460 E471	H351-K361 PolarHBondContact CE1-O 2.87Å; H351-K361 VanDerWaalsContact ND1-C 3.35Å; H351-K361 PolarHBondContact ND1-N 3.48Å; H351-K361 PolarHBondContact ND1-O 3.01Å; V358-K361 HydrophobicContact CG1-CB 3.64Å; V358-K361 HydrophobicContact CG1-CD 3.86Å; V358-K361 HydrophobicContact CG1-CG 3.85Å; C359-K361 PolarHBondContact O-N 2.86Å; K361-L363 VanDerWaalsContact C-N 3.25Å; K361-L363 PolarHBondContact O-N 3.39Å; K361-L364 WeakPolarHBondContact O-CB 3.35Å; K361-L364 PolarHBondContact O-N 3.49Å; K361-L364 VanDerWaalsContact O-N 3.12Å; K361-R458 VanDerWaalsContact NZ-CA 3.29Å; K361-S460 WeakPolarHBondContact CD-OG 3.43Å; K361-S460 WeakPolarHBondContact CE-O 3.5Å; K361-S460 WeakPolarHBondContact CE-OG 3.35Å; K361-S460 VanDerWaalsContact CG-OG 3.31Å; K361-S460 WeakPolarHBondContact CG-OG 3.26Å; K361-E471 IonicContact NZ-OE1 3.56Å; K361-E471 PolarHBondContact NZ-OE1 2.89Å
362	P	89.9	Confident	84.5	Confident	9 Å²	9	31 Å²	31	6%	0.058	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-68.2	-19.7	-171.5	28.2	-35.8	0	0	0	114.4	H351 D360 L364 R390 Y391	H351-P362 HydrophobicContact CB-CB 4.16Å; D360-P362 VanDerWaalsContact C-CD 3.46Å; D360-P362 WeakPolarHBondContact O-CD 3.22Å; P362-L364 PolarHBondContact O-N 3.21Å; P362-R390 HydrophobicContact CB-CG 3.88Å; P362-R390 WeakPolarHBondContact CB-O 3.24Å; P362-R390 HydrophobicContact CG-CG 4.21Å; P362-Y391 HydrophobicContact CB-CD1 3.68Å; P362-Y391 HydrophobicContact CB-CE1 3.76Å; P362-Y391 HydrophobicContact CB-CG 4.39Å; P362-Y391 VanDerWaalsContact O-CD1 3.27Å; P362-Y391 WeakPolarHBondContact O-CD1 3.5Å
363	L	86.9	Confident	84.3	Confident	11 Å²	11	31 Å²	31	6%	0.058	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-80.3	2.6	175	-61.4	-174.7	0	0	0	113.8	K361 Y365 I367 G368 C393 K448 P450	K361-L363 VanDerWaalsContact C-N 3.25Å; K361-L363 PolarHBondContact O-N 3.39Å; L363-Y365 PolarHBondContact O-N 3.14Å; L363-I367 HydrophobicContact CB-CB 4.42Å; L363-I367 HydrophobicContact CB-CG1 4.22Å; L363-I367 WeakPolarHBondContact O-CB 3.17Å; L363-I367 PolarHBondContact O-N 3.04Å; L363-G368 PolarHBondContact O-N 2.99Å; L363-C393 HydrophobicContact CD1-CB 4.27Å; L363-C393 HydrophobicContact CD2-CB 4.19Å; L363-K448 HydrophobicContact CD1-CB 4.07Å; L363-P450 HydrophobicContact CD1-CG 4.42Å
364	L	80.8	Confident	84.5	Confident	18 Å²	18	31.4 Å²	31.4	9%	0.094	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-50.5	-41.7	177.3	175.5	64	0	0	0	112	E356 V358 K361 P362 G368 W369	E356-L364 HydrophobicContact CB-CD2 4.36Å; E356-L364 HydrophobicContact CG-CD2 4.19Å; V358-L364 HydrophobicContact CB-CD2 4.45Å; V358-L364 HydrophobicContact CG1-CD2 4.27Å; V358-L364 HydrophobicContact CG2-CD2 4.33Å; K361-L364 WeakPolarHBondContact O-CB 3.35Å; K361-L364 PolarHBondContact O-N 3.49Å; K361-L364 VanDerWaalsContact O-N 3.12Å; P362-L364 PolarHBondContact O-N 3.21Å; L364-G368 CarbonylContact O-C 3.57Å; L364-G368 WeakPolarHBondContact O-CA 3.47Å; L364-G368 PolarHBondContact O-N 3.4Å; L364-W369 PolarHBondContact O-N 2.93Å
365	Y	83.5	Confident	84.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-53.9	-172.3	-47.6	-58.1	0	0	0	112.9	H336 W338 H351 D353 L363 W369 G370 K371 Y391	H336-Y365 AromaticContact CD2-CE1 3.48Å; H336-Y365 VanDerWaalsContact CD2-CE1 3.48Å; H336-Y365 WeakPolarHBondContact CD2-CE1 3.47Å; H336-Y365 AromaticContact CD2-CZ 3.92Å; H336-Y365 AromaticContact NE2-CE1 3.58Å; W338-Y365 AromaticContact CD2-CE2 3.74Å; W338-Y365 HydrophobicContact CD2-CE2 3.74Å; W338-Y365 AromaticContact CD2-CZ 3.76Å; W338-Y365 VanDerWaalsContact CD2-OH 3.24Å; W338-Y365 AromaticContact CE2-CE2 3.65Å; W338-Y365 HydrophobicContact CE3-CE1 4.41Å; W338-Y365 AromaticContact CE3-CE2 3.74Å; W338-Y365 HydrophobicContact CE3-CE2 3.74Å; W338-Y365 AromaticContact CE3-CZ 3.63Å; W338-Y365 HydrophobicContact CG-CE2 4.49Å; W338-Y365 VanDerWaalsContact CG-OH 3.32Å; W338-Y365 AromaticContact CH2-CD2 3.75Å; W338-Y365 HydrophobicContact CH2-CD2 3.75Å; W338-Y365 AromaticContact CH2-CE2 3.54Å; W338-Y365 HydrophobicContact CH2-CE2 3.54Å; W338-Y365 HydrophobicContact CZ2-CD2 4.07Å; W338-Y365 AromaticContact CZ2-CE2 3.56Å; W338-Y365 HydrophobicContact CZ2-CE2 3.56Å; W338-Y365 HydrophobicContact CZ3-CD2 4.02Å; W338-Y365 AromaticContact CZ3-CE2 3.65Å; W338-Y365 HydrophobicContact CZ3-CE2 3.65Å; W338-Y365 AromaticContact CZ3-CZ 3.9Å; H351-Y365 AromaticContact NE2-CE2 3.61Å; H351-Y365 AromaticContact NE2-CZ 3.46Å; H351-Y365 PolarHBondContact NE2-OH 3.38Å; D353-Y365 WeakPolarHBondContact OD2-CE1 3.28Å; D353-Y365 PolarHBondContact OD2-OH 3.35Å; L363-Y365 PolarHBondContact O-N 3.14Å; Y365-W369 HydrophobicContact CD1-CD2 4.34Å; Y365-W369 HydrophobicContact CD1-CE3 4.06Å; Y365-W369 HydrophobicContact CD1-CH2 4.31Å; Y365-W369 HydrophobicContact CD1-CZ3 4.03Å; Y365-W369 HydrophobicContact CE1-CH2 4.23Å; Y365-W369 HydrophobicContact CE1-CZ3 4.32Å; Y365-W369 WeakPolarHBondContact O-CB 3.36Å; Y365-W369 PolarHBondContact O-N 2.6Å; Y365-G370 PolarHBondContact O-N 3.07Å; Y365-K371 WeakPolarHBondContact O-CB 3.47Å; Y365-K371 PolarHBondContact O-N 3.33Å; Y365-Y391 AromaticContact CD2-CD1 3.8Å; Y365-Y391 HydrophobicContact CD2-CD1 3.8Å; Y365-Y391 HydrophobicContact CD2-CE1 4.44Å; Y365-Y391 AromaticContact CE2-CD1 3.76Å; Y365-Y391 HydrophobicContact CE2-CD1 3.76Å; Y365-Y391 AromaticContact CE2-CE1 3.94Å; Y365-Y391 HydrophobicContact CE2-CE1 3.94Å
366	E	86.8	Confident	85.8	Confident	8 Å²	8	30.7 Å²	30.7	4%	0.037	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-42.9	-177.4	179.4	173.9	84.4	0	0	111.7	G370 L373 S392 C393 K394	E366-G370 VanDerWaalsContact O-CA 3.23Å; E366-G370 WeakPolarHBondContact O-CA 3.34Å; E366-G370 PolarHBondContact O-N 3.38Å; E366-L373 HydrophobicContact CB-CD1 3.96Å; E366-L373 HydrophobicContact CB-CG 4.35Å; E366-S392 VanDerWaalsContact OE1-CA 3.3Å; E366-S392 WeakPolarHBondContact OE1-CA 3.32Å; E366-S392 PolarHBondContact OE1-OG 3.03Å; E366-S392 VanDerWaalsContact OE1-OG 3.09Å; E366-S392 VanDerWaalsContact OE2-CB 3.31Å; E366-S392 WeakPolarHBondContact OE2-CB 2.98Å; E366-S392 PolarHBondContact OE2-OG 2.88Å; E366-C393 PolarHBondContact OE1-N 3.48Å; E366-C393 PolarHBondContact OE1-SG 2.89Å; E366-K394 HydrophobicContact CG-CD 4.41Å; E366-K394 PolarHBondContact OE1-N 3.47Å; E366-K394 VanDerWaalsContact OE1-N 3.16Å
367	I	79.8	Confident	86.7	Confident	41 Å²	41	27.2 Å²	27.2	21%	0.21	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-44.9	-172.7	-57.6	-61.6	0	0	0	111.5	L363 C393 K394 P450 L455	L363-I367 HydrophobicContact CB-CB 4.42Å; L363-I367 HydrophobicContact CB-CG1 4.22Å; L363-I367 WeakPolarHBondContact O-CB 3.17Å; L363-I367 PolarHBondContact O-N 3.04Å; I367-C393 VanDerWaalsContact CD1-SG 3.57Å; I367-K394 HydrophobicContact CD1-CD 4.32Å; I367-P450 HydrophobicContact CD1-CG 4.4Å; I367-P450 HydrophobicContact CG1-CG 4.38Å; I367-L455 HydrophobicContact CB-CD2 4.31Å; I367-L455 HydrophobicContact CG2-CD2 3.08Å; I367-L455 HydrophobicContact CG2-CG 4.47Å
368	G	70.9	Confident	87.4	Confident	29 Å²	29	26.1 Å²	26.1	30%	0.299	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-55	178.5	0	0	0	0	0	112.3	L363 L364	L363-G368 PolarHBondContact O-N 2.99Å; L364-G368 CarbonylContact O-C 3.57Å; L364-G368 WeakPolarHBondContact O-CA 3.47Å; L364-G368 PolarHBondContact O-N 3.4Å
369	W	75.6	Confident	88.2	Confident	116 Å²	116	25.4 Å²	25.4	44%	0.439	14%	0.136	S	C	.	.	S	Bend	trans	-89	-7.3	-178.3	-60.9	-1.1	0	0	0	113.9	H336 E356 L364 Y365 K371	H336-W369 AromaticContact CE1-CH2 3.9Å; H336-W369 AromaticContact NE2-CH2 3.76Å; H336-W369 AromaticContact NE2-CZ3 3.98Å; E356-W369 HydrophobicContact CG-CH2 4.38Å; E356-W369 HydrophobicContact CG-CZ2 3.83Å; L364-W369 PolarHBondContact O-N 2.93Å; Y365-W369 HydrophobicContact CD1-CD2 4.34Å; Y365-W369 HydrophobicContact CD1-CE3 4.06Å; Y365-W369 HydrophobicContact CD1-CH2 4.31Å; Y365-W369 HydrophobicContact CD1-CZ3 4.03Å; Y365-W369 HydrophobicContact CE1-CH2 4.23Å; Y365-W369 HydrophobicContact CE1-CZ3 4.32Å; Y365-W369 WeakPolarHBondContact O-CB 3.36Å; Y365-W369 PolarHBondContact O-N 2.6Å; W369-K371 HydrophobicContact CB-CG 4.03Å; W369-K371 HydrophobicContact CE3-CD 3.94Å; W369-K371 HydrophobicContact CE3-CG 4.29Å; W369-K371 PolarHBondContact O-N 3.39Å
370	G	76.7	Confident	88.6	Confident	49 Å²	49	25.7 Å²	25.7	51%	0.505	14%	0.138	S	C	.	.			trans	67.9	21.5	-176	0	0	0	0	0	113.8	Y365 E366 K372	Y365-G370 PolarHBondContact O-N 3.07Å; E366-G370 VanDerWaalsContact O-CA 3.23Å; E366-G370 WeakPolarHBondContact O-CA 3.34Å; E366-G370 PolarHBondContact O-N 3.38Å; G370-K372 PolarHBondContact O-N 3.44Å
371	K	81.8	Confident	88.9	Confident	36 Å²	36	27.8 Å²	27.8	16%	0.157	15%	0.146	C	C	.	.			trans	-63.4	136	-179.9	-65.5	-167.5	90.1	-175.1	0	110.6	D332 T334 Y365 W369 L373	D332-K371 IonicContact OD2-NZ 3.34Å; D332-K371 PolarHBondContact OD2-NZ 2.83Å; T334-K371 WeakPolarHBondContact O-CE 3.46Å; T334-K371 PolarHBondContact O-NZ 3.46Å; T334-K371 WeakPolarHBondContact OG1-CE 3.44Å; T334-K371 PolarHBondContact OG1-NZ 3.13Å; Y365-K371 WeakPolarHBondContact O-CB 3.47Å; Y365-K371 PolarHBondContact O-N 3.33Å; W369-K371 HydrophobicContact CB-CG 4.03Å; W369-K371 HydrophobicContact CE3-CD 3.94Å; W369-K371 HydrophobicContact CE3-CG 4.29Å; W369-K371 PolarHBondContact O-N 3.39Å; K371-L373 HydrophobicContact CB-CD2 3.94Å; K371-L373 HydrophobicContact CB-CG 4.44Å; K371-L373 HydrophobicContact CD-CD2 4.4Å; K371-L373 PolarHBondContact O-N 3.41Å; K371-L373 VanDerWaalsContact O-N 3.17Å
372	K	92.4	Very high	89.5	Confident	156 Å²	156	27.5 Å²	27.5	68%	0.678	15%	0.145	S	C	*	.			trans	-88.4	78	174.1	-63.5	-176.1	-178.4	-179.4	0	110.1	G370	G370-K372 PolarHBondContact O-N 3.44Å
373	L	94.4	Very high	89.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.145	C	C	.	.			trans	-62.1	153.5	-176.1	-58.7	-178.7	0	0	0	112.7	D332 E366 K371 Y391 V398 R401	D332-L373 WeakPolarHBondContact OD2-CD2 3.31Å; E366-L373 HydrophobicContact CB-CD1 3.96Å; E366-L373 HydrophobicContact CB-CG 4.35Å; K371-L373 HydrophobicContact CB-CD2 3.94Å; K371-L373 HydrophobicContact CB-CG 4.44Å; K371-L373 HydrophobicContact CD-CD2 4.4Å; K371-L373 PolarHBondContact O-N 3.41Å; K371-L373 VanDerWaalsContact O-N 3.17Å; L373-Y391 VanDerWaalsContact CD1-O 3.27Å; L373-Y391 WeakPolarHBondContact CD1-O 3.03Å; L373-V398 HydrophobicContact CB-CG2 4.39Å; L373-R401 PolarHBondContact O-NE 2.62Å; L373-R401 PolarHBondContact O-NH2 2.99Å
374	S	96.8	Very high	90.3	Very high	10 Å²	10	27 Å²	27	7%	0.07	14%	0.142	C	C	.	.			trans	-137	-61.3	174.8	52.9	0	0	0	0	112.7	T388 R402	S374-T388 WeakPolarHBondContact O-CG2 3.48Å; S374-R402 WeakPolarHBondContact O-CD 3.46Å; S374-R402 WeakPolarHBondContact O-CG 3.41Å; S374-R402 PolarHBondContact O-NH1 3.16Å
375	Y	97.9	Very high	91.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.			trans	-127.5	127.3	177.8	-54.4	-90.5	0	0	0	110	I171 Y333 R402 T403 K404 V405 L410	I171-Y375 HydrophobicContact CD1-CD1 4.01Å; I171-Y375 HydrophobicContact CD1-CD2 3.5Å; I171-Y375 VanDerWaalsContact CD1-CD2 3.5Å; I171-Y375 HydrophobicContact CD1-CE1 4.06Å; I171-Y375 HydrophobicContact CD1-CE2 3.54Å; I171-Y375 HydrophobicContact CD1-CG 3.74Å; Y333-Y375 HydrophobicContact CD2-CD2 4.26Å; Y333-Y375 HydrophobicContact CG-CD2 4.3Å; Y333-Y375 PolarHBondContact N-O 2.64Å; Y375-R402 HydrophobicContact CD1-CG 4.31Å; Y375-R402 HydrophobicContact CE1-CB 4.02Å; Y375-R402 HydrophobicContact CE1-CG 3.92Å; Y375-R402 HydrophobicContact CE2-CB 4.41Å; Y375-R402 HydrophobicContact CE2-CG 4.32Å; Y375-R402 VanDerWaalsContact OH-CA 3.23Å; Y375-R402 WeakPolarHBondContact OH-CA 3.48Å; Y375-R402 PolarHBondContact OH-O 3.19Å; Y375-T403 PolarHBondContact OH-N 3.18Å; Y375-K404 HydrophobicContact CE2-CB 3.74Å; Y375-K404 HydrophobicContact CE2-CG 3.79Å; Y375-K404 PolarHBondContact OH-N 2.95Å; Y375-V405 HydrophobicContact CE1-CG1 3.83Å; Y375-V405 PolarHBondContact OH-N 2.72Å; Y375-L410 HydrophobicContact CD1-CD2 4.05Å; Y375-L410 HydrophobicContact CE1-CD2 4.12Å
376	V	98.6	Very high	91.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	114.2	172.2	-172.2	0	0	0	0	108.4	V330 W331 D332 W338 V387 T388 Y391	V330-V376 HydrophobicContact CG1-CG1 3.37Å; W331-V376 CarbonylContact O-C 3.57Å; W331-V376 VanDerWaalsContact O-CA 3.31Å; W331-V376 WeakPolarHBondContact O-CA 3.43Å; D332-V376 HydrophobicContact CB-CG1 4.49Å; D332-V376 HydrophobicContact CB-CG2 4.18Å; W338-V376 HydrophobicContact CH2-CG1 3.6Å; W338-V376 HydrophobicContact CH2-CG2 4.3Å; W338-V376 HydrophobicContact CZ2-CG1 3.42Å; W338-V376 VanDerWaalsContact CZ2-CG1 3.42Å; V376-V387 HydrophobicContact CB-CG2 4.35Å; V376-V387 HydrophobicContact CG1-CG2 3.84Å; V376-V387 WeakPolarHBondContact O-CG2 3.45Å; V376-V387 PolarHBondContact O-N 3.43Å; V376-T388 PolarHBondContact N-OG1 3.24Å; V376-T388 PolarHBondContact O-N 2.93Å; V376-T388 PolarHBondContact O-OG1 3.19Å; V376-Y391 HydrophobicContact CB-CD2 4.39Å; V376-Y391 HydrophobicContact CG1-CD2 3.88Å; V376-Y391 HydrophobicContact CG1-CE2 4.14Å
377	I	98.6	Very high	92.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.7	-172.8	-47.5	-61	0	0	0	109.8	L175 W331 F379 V384 D386	L175-I377 HydrophobicContact CD2-CB 4.41Å; L175-I377 HydrophobicContact CD2-CG1 4.29Å; L175-I377 HydrophobicContact CD2-CG2 3.71Å; W331-I377 HydrophobicContact CE3-CB 4.45Å; W331-I377 HydrophobicContact CE3-CG1 4.28Å; W331-I377 HydrophobicContact CZ3-CG1 4.43Å; W331-I377 PolarHBondContact N-O 3.01Å; W331-I377 PolarHBondContact O-N 3.41Å; I377-F379 HydrophobicContact CB-CE2 3.87Å; I377-F379 HydrophobicContact CB-CZ 3.99Å; I377-F379 HydrophobicContact CG2-CD2 4.48Å; I377-F379 HydrophobicContact CG2-CE1 4.13Å; I377-F379 HydrophobicContact CG2-CE2 3.76Å; I377-F379 HydrophobicContact CG2-CZ 3.56Å; I377-F379 WeakPolarHBondContact O-CD2 3.32Å; I377-F379 WeakPolarHBondContact O-CE2 3.11Å; I377-V384 HydrophobicContact CG2-CG1 3.66Å; I377-D386 HydrophobicContact CD1-CB 3.86Å
378	A	98.7	Very high	93.3	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	142.1	178	0	0	0	0	0	111.5	R328 Y329 V330 V384 V385 V387	R328-A378 HydrophobicContact CB-CB 4.07Å; R328-A378 HydrophobicContact CG-CB 4.3Å; Y329-A378 CarbonylContact O-C 3.4Å; Y329-A378 WeakPolarHBondContact O-CA 3.47Å; V330-A378 HydrophobicContact CG2-CB 3.95Å; A378-V384 CarbonylContact O-C 3.58Å; A378-V384 VanDerWaalsContact O-CA 3.28Å; A378-V384 WeakPolarHBondContact O-CA 3.47Å; A378-V385 PolarHBondContact N-O 3.29Å; A378-V385 PolarHBondContact O-N 3.48Å; A378-V387 HydrophobicContact CB-CB 4.45Å; A378-V387 HydrophobicContact CB-CG1 3.68Å; A378-V387 HydrophobicContact CB-CG2 3.86Å
379	F	98.6	Very high	94.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.4	-177.1	-57.3	-92.8	0	0	0	110.1	L175 N178 I179 V182 R328 Y329 W331 I377 V384	L175-F379 HydrophobicContact CD2-CE1 3.93Å; L175-F379 HydrophobicContact CD2-CZ 3.76Å; N178-F379 HydrophobicContact CB-CD1 3.69Å; N178-F379 HydrophobicContact CB-CD2 3.77Å; N178-F379 HydrophobicContact CB-CE1 3.63Å; N178-F379 HydrophobicContact CB-CE2 3.69Å; N178-F379 HydrophobicContact CB-CG 3.77Å; N178-F379 HydrophobicContact CB-CZ 3.61Å; I179-F379 HydrophobicContact CB-CD1 4.48Å; V182-F379 HydrophobicContact CG1-CB 3.61Å; V182-F379 HydrophobicContact CG2-CB 4.16Å; R328-F379 CarbonylContact C-O 3.6Å; R328-F379 WeakPolarHBondContact CA-O 3.21Å; Y329-F379 HydrophobicContact CD1-CD2 4.44Å; Y329-F379 PolarHBondContact N-O 3.26Å; Y329-F379 PolarHBondContact O-N 2.94Å; W331-F379 HydrophobicContact CB-CE2 4.14Å; I377-F379 HydrophobicContact CB-CE2 3.87Å; I377-F379 HydrophobicContact CB-CZ 3.99Å; I377-F379 HydrophobicContact CG2-CD2 4.48Å; I377-F379 HydrophobicContact CG2-CE1 4.13Å; I377-F379 HydrophobicContact CG2-CE2 3.76Å; I377-F379 HydrophobicContact CG2-CZ 3.56Å; I377-F379 WeakPolarHBondContact O-CD2 3.32Å; I377-F379 WeakPolarHBondContact O-CE2 3.11Å; F379-V384 HydrophobicContact CD1-CB 4.43Å; F379-V384 HydrophobicContact CD1-CG1 3.92Å; F379-V384 HydrophobicContact CD1-CG2 3.82Å; F379-V384 HydrophobicContact CE1-CG1 3.74Å; F379-V384 HydrophobicContact CE1-CG2 4.23Å; F379-V384 HydrophobicContact CZ-CG1 4.47Å
380	S	97.9	Very high	95.6	Very high	7 Å²	7	21.5 Å²	21.5	5%	0.049	11%	0.111	C	C	.	.			trans	-125.9	-176.4	171.1	61.3	0	0	0	0	110.9	V182 A327 D382 E383 R421	V182-S380 VanDerWaalsContact CG2-O 3.31Å; V182-S380 WeakPolarHBondContact CG2-O 3.47Å; A327-S380 WeakPolarHBondContact O-CB 3.31Å; S380-D382 PolarHBondContact O-N 2.97Å; S380-D382 PolarHBondContact OG-N 3.38Å; S380-E383 PolarHBondContact N-O 3.02Å; S380-E383 PolarHBondContact OG-N 3.14Å; S380-E383 PolarHBondContact OG-O 3.4Å; S380-E383 VanDerWaalsContact OG-O 3.13Å; S380-R421 PolarHBondContact O-NH1 2.94Å; S380-R421 VanDerWaalsContact O-NH1 3.13Å; S380-R421 PolarHBondContact O-NH2 3.41Å
381	K	96.8	Very high	96.5	Very high	73 Å²	73	19.2 Å²	19.2	32%	0.317	9%	0.087	S	C	.	.	S	Bend	trans	-62.3	-27.7	168.7	72	-176.7	-170	176.9	0	113.6	E186 R421	E186-K381 VanDerWaalsContact CD-CD 3.45Å; E186-K381 HydrophobicContact CG-CB 3.79Å; E186-K381 HydrophobicContact CG-CD 4.32Å; E186-K381 WeakPolarHBondContact OE2-CD 3.43Å; E186-K381 IonicContact OE2-NZ 2.79Å; K381-R421 VanDerWaalsContact O-CD 3.23Å; K381-R421 WeakPolarHBondContact O-CD 3.31Å; K381-R421 WeakPolarHBondContact O-CG 3.19Å
382	D	96.4	Very high	97.2	Very high	13 Å²	13	17.5 Å²	17.5	7%	0.07	8%	0.08	C	C	.	.	S	Bend	trans	-100.6	-38.1	-172.2	-66.3	-33.7	0	0	0	112.3	S380 R429 L433	S380-D382 PolarHBondContact O-N 2.97Å; S380-D382 PolarHBondContact OG-N 3.38Å; D382-R429 IonicContact OD2-CZ 2.71Å; D382-R429 IonicContact OD2-NE 3.84Å; D382-R429 PolarHBondContact OD2-NE 2.99Å; D382-R429 IonicContact OD2-NH2 3.33Å; D382-R429 PolarHBondContact OD2-NH2 2.92Å; D382-L433 HydrophobicContact CB-CD1 4.05Å; D382-L433 HydrophobicContact CB-CD2 4.48Å
383	E	94.7	Very high	97.2	Very high	11 Å²	11	11.3 Å²	11.3	5%	0.051	6%	0.056	C	C	.	.			trans	-145	153.5	-164.9	-69.9	-176.2	136.8	0	0	113.4	R328 S380 V385 N418 R421 Q422 L433	R328-E383 IonicContact NH2-OE2 2.89Å; S380-E383 PolarHBondContact N-O 3.02Å; S380-E383 PolarHBondContact OG-N 3.14Å; S380-E383 PolarHBondContact OG-O 3.4Å; S380-E383 VanDerWaalsContact OG-O 3.13Å; E383-V385 HydrophobicContact CB-CG2 4.13Å; E383-N418 WeakPolarHBondContact CA-OD1 3.32Å; E383-R421 PolarHBondContact O-NH2 2.89Å; E383-Q422 PolarHBondContact OE1-NE2 3.36Å; E383-L433 HydrophobicContact CG-CD1 4.34Å
384	V	98.4	Very high	97.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.9	160.8	-176.5	0	0	0	0	107.1	L175 I179 I377 A378 F379 I414 N418	L175-V384 HydrophobicContact CD2-CG1 4.24Å; I179-V384 HydrophobicContact CB-CG2 4.31Å; I179-V384 HydrophobicContact CD1-CG2 3.83Å; I179-V384 HydrophobicContact CG1-CG2 3.84Å; I377-V384 HydrophobicContact CG2-CG1 3.66Å; A378-V384 CarbonylContact O-C 3.58Å; A378-V384 VanDerWaalsContact O-CA 3.28Å; A378-V384 WeakPolarHBondContact O-CA 3.47Å; F379-V384 HydrophobicContact CD1-CB 4.43Å; F379-V384 HydrophobicContact CD1-CG1 3.92Å; F379-V384 HydrophobicContact CD1-CG2 3.82Å; F379-V384 HydrophobicContact CE1-CG1 3.74Å; F379-V384 HydrophobicContact CE1-CG2 4.23Å; F379-V384 HydrophobicContact CZ-CG1 4.47Å; V384-I414 HydrophobicContact CB-CG2 4.36Å; V384-I414 HydrophobicContact CG1-CG1 4.2Å; V384-I414 HydrophobicContact CG1-CG2 4.43Å; V384-I414 WeakPolarHBondContact O-CG2 3.41Å; V384-N418 PolarHBondContact N-OD1 2.92Å; V384-N418 PolarHBondContact O-ND2 3.47Å; V384-N418 PolarHBondContact O-OD1 2.99Å
385	V	98.6	Very high	97.1	Very high	10 Å²	10	16.5 Å²	16.5	6%	0.061	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.8	-177.7	-174.8	0	0	0	0	109.5	A378 E383 V387 I437 F444	A378-V385 PolarHBondContact N-O 3.29Å; A378-V385 PolarHBondContact O-N 3.48Å; E383-V385 HydrophobicContact CB-CG2 4.13Å; V385-V387 HydrophobicContact CB-CG1 4.01Å; V385-V387 HydrophobicContact CG1-CG1 3.85Å; V385-V387 PolarHBondContact O-N 3.49Å; V385-I437 HydrophobicContact CG1-CD1 3.96Å; V385-I437 HydrophobicContact CG2-CD1 4.24Å; V385-F444 HydrophobicContact CG1-CE2 4.2Å; V385-F444 HydrophobicContact CG1-CZ 4.36Å
386	D	98.6	Very high	97	Very high	25 Å²	25	24.7 Å²	24.7	13%	0.134	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	104.8	166.2	-173.4	-17.2	0	0	0	108.5	I377 T388 R402 I414 F444	I377-D386 HydrophobicContact CD1-CB 3.86Å; D386-T388 WeakPolarHBondContact OD1-CB 3.45Å; D386-T388 PolarHBondContact OD1-N 3.17Å; D386-T388 PolarHBondContact OD1-OG1 3.45Å; D386-R402 IonicContact OD1-NH1 2.63Å; D386-R402 IonicContact OD2-CZ 3.16Å; D386-R402 IonicContact OD2-NH1 3.55Å; D386-R402 PolarHBondContact OD2-NH1 3.3Å; D386-R402 IonicContact OD2-NH2 3.05Å; D386-R402 PolarHBondContact OD2-NH2 2.84Å; D386-I414 HydrophobicContact CB-CD1 4.11Å; D386-F444 WeakPolarHBondContact O-CE2 3.34Å
387	V	98.6	Very high	96.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.			trans	-102.3	9.6	-175.3	-63.1	0	0	0	0	111.9	V330 V376 A378 V385 W389 R390 Y391 F444	V330-V387 HydrophobicContact CG1-CG2 4Å; V376-V387 HydrophobicContact CB-CG2 4.35Å; V376-V387 HydrophobicContact CG1-CG2 3.84Å; V376-V387 WeakPolarHBondContact O-CG2 3.45Å; V376-V387 PolarHBondContact O-N 3.43Å; A378-V387 HydrophobicContact CB-CB 4.45Å; A378-V387 HydrophobicContact CB-CG1 3.68Å; A378-V387 HydrophobicContact CB-CG2 3.86Å; V385-V387 HydrophobicContact CB-CG1 4.01Å; V385-V387 HydrophobicContact CG1-CG1 3.85Å; V385-V387 PolarHBondContact O-N 3.49Å; V387-W389 PolarHBondContact O-N 3.02Å; V387-R390 WeakPolarHBondContact O-CB 3.44Å; V387-R390 PolarHBondContact O-N 3.47Å; V387-Y391 HydrophobicContact CB-CE2 4.13Å; V387-Y391 HydrophobicContact CG2-CD2 4.22Å; V387-Y391 HydrophobicContact CG2-CE2 3.72Å; V387-Y391 VanDerWaalsContact O-CD2 3.29Å; V387-Y391 WeakPolarHBondContact O-CD2 3.46Å; V387-F444 HydrophobicContact CB-CZ 4.36Å; V387-F444 HydrophobicContact CG1-CZ 4.15Å
388	T	98.6	Very high	96.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-45.3	-45	-176.9	-56.6	0	0	0	0	112.7	S374 V376 D386 R390 Y391 S392 V398 R402	S374-T388 WeakPolarHBondContact O-CG2 3.48Å; V376-T388 PolarHBondContact N-OG1 3.24Å; V376-T388 PolarHBondContact O-N 2.93Å; V376-T388 PolarHBondContact O-OG1 3.19Å; D386-T388 WeakPolarHBondContact OD1-CB 3.45Å; D386-T388 PolarHBondContact OD1-N 3.17Å; D386-T388 PolarHBondContact OD1-OG1 3.45Å; T388-R390 VanDerWaalsContact C-N 3.25Å; T388-R390 PolarHBondContact O-N 3.44Å; T388-Y391 PolarHBondContact O-N 3.04Å; T388-Y391 VanDerWaalsContact O-N 3.08Å; T388-S392 PolarHBondContact O-N 3.5Å; T388-V398 HydrophobicContact CG2-CG1 3.6Å; T388-R402 PolarHBondContact OG1-NH1 2.7Å
389	W	97.9	Very high	96.8	Very high	55 Å²	55	33.7 Å²	33.7	21%	0.208	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-67.7	-22.5	-173.4	-44.8	110.9	0	0	0	113.8	V387 Y391 H395 V398 I399 F444	V387-W389 PolarHBondContact O-N 3.02Å; W389-Y391 VanDerWaalsContact C-N 3.31Å; W389-H395 HydrophobicContact CE3-CB 4.13Å; W389-H395 AromaticContact CE3-CD2 3.88Å; W389-H395 AromaticContact CE3-CG 3.69Å; W389-H395 AromaticContact CE3-ND1 3.84Å; W389-H395 HydrophobicContact CZ3-CB 4.01Å; W389-H395 PolarHBondContact O-NE2 3.03Å; W389-V398 HydrophobicContact CZ3-CG1 4.38Å; W389-I399 HydrophobicContact CH2-CD1 4.24Å; W389-I399 HydrophobicContact CH2-CG1 3.67Å; W389-I399 HydrophobicContact CZ3-CD1 4.34Å; W389-I399 HydrophobicContact CZ3-CG1 3.97Å; W389-F444 HydrophobicContact CB-CB 3.58Å; W389-F444 HydrophobicContact CB-CD1 3.97Å; W389-F444 HydrophobicContact CB-CG 3.83Å; W389-F444 AromaticContact CD1-CD2 3.95Å; W389-F444 AromaticContact CD1-CG 3.91Å; W389-F444 HydrophobicContact CG-CB 3.97Å; W389-F444 HydrophobicContact CG-CG 4.27Å
390	R	97.2	Very high	96.8	Very high	6 Å²	6	37.2 Å²	37.2	2%	0.023	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-67.5	-34.4	173	178.7	173	-66.2	119.2	6.8	112.3	E340 P362 V387 T388 E440 E443 F444	E340-R390 IonicContact OE1-CZ 3.63Å; E340-R390 IonicContact OE1-NH1 3.58Å; E340-R390 PolarHBondContact OE1-NH1 3.05Å; E340-R390 IonicContact OE2-NH1 2.8Å; E340-R390 PolarHBondContact OE2-NH1 3.24Å; P362-R390 HydrophobicContact CB-CG 3.88Å; P362-R390 WeakPolarHBondContact CB-O 3.24Å; P362-R390 HydrophobicContact CG-CG 4.21Å; V387-R390 WeakPolarHBondContact O-CB 3.44Å; V387-R390 PolarHBondContact O-N 3.47Å; T388-R390 VanDerWaalsContact C-N 3.25Å; T388-R390 PolarHBondContact O-N 3.44Å; R390-E440 IonicContact CZ-OE1 3.98Å; R390-E440 IonicContact NH1-OE1 3.54Å; R390-E440 PolarHBondContact NH1-OE1 2.89Å; R390-E440 VanDerWaalsContact NH1-OE1 3.11Å; R390-E440 IonicContact NH2-OE1 2.92Å; R390-E440 PolarHBondContact NH2-OE1 2.95Å; R390-E443 IonicContact CZ-OE2 3.25Å; R390-E443 IonicContact NE-OE1 3.61Å; R390-E443 IonicContact NE-OE2 2.64Å; R390-E443 PolarHBondContact NE-OE2 2.93Å; R390-E443 IonicContact NH2-OE2 3.89Å; R390-E443 PolarHBondContact NH2-OE2 2.99Å; R390-F444 HydrophobicContact CB-CD1 4.4Å; R390-F444 HydrophobicContact CB-CE1 4Å; R390-F444 VanDerWaalsContact NH2-CE1 3.33Å
391	Y	96.1	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-95.5	3.1	-172.8	-62.2	-82.8	0	0	0	113.2	W338 E340 H351 P362 Y365 L373 V376 V387 T388 W389	W338-Y391 AromaticContact CE2-CE1 3.53Å; W338-Y391 AromaticContact CE2-CZ 3.62Å; W338-Y391 HydrophobicContact CH2-CD1 4.29Å; W338-Y391 HydrophobicContact CH2-CE1 4.49Å; W338-Y391 HydrophobicContact CH2-CG 4.45Å; W338-Y391 AromaticContact CZ2-CD1 3.51Å; W338-Y391 HydrophobicContact CZ2-CD1 3.51Å; W338-Y391 AromaticContact CZ2-CD2 3.88Å; W338-Y391 HydrophobicContact CZ2-CD2 3.88Å; W338-Y391 AromaticContact CZ2-CE1 3.37Å; W338-Y391 HydrophobicContact CZ2-CE1 3.37Å; W338-Y391 AromaticContact CZ2-CE2 3.78Å; W338-Y391 HydrophobicContact CZ2-CE2 3.78Å; W338-Y391 AromaticContact CZ2-CG 3.78Å; W338-Y391 HydrophobicContact CZ2-CG 3.78Å; W338-Y391 AromaticContact CZ2-CZ 3.54Å; W338-Y391 AromaticContact NE1-CE1 3.33Å; W338-Y391 VanDerWaalsContact NE1-CE1 3.33Å; W338-Y391 AromaticContact NE1-CZ 3.14Å; W338-Y391 PolarHBondContact NE1-OH 3.43Å; E340-Y391 VanDerWaalsContact CG-OH 3.25Å; E340-Y391 WeakPolarHBondContact CG-OH 3.44Å; E340-Y391 WeakPolarHBondContact OE1-CE2 3.29Å; E340-Y391 PolarHBondContact OE1-OH 3.08Å; H351-Y391 HydrophobicContact CB-CE1 4.1Å; H351-Y391 AromaticContact CD2-CE1 3.54Å; H351-Y391 AromaticContact CG-CE1 3.92Å; P362-Y391 HydrophobicContact CB-CD1 3.68Å; P362-Y391 HydrophobicContact CB-CE1 3.76Å; P362-Y391 HydrophobicContact CB-CG 4.39Å; P362-Y391 VanDerWaalsContact O-CD1 3.27Å; P362-Y391 WeakPolarHBondContact O-CD1 3.5Å; Y365-Y391 AromaticContact CD2-CD1 3.8Å; Y365-Y391 HydrophobicContact CD2-CD1 3.8Å; Y365-Y391 HydrophobicContact CD2-CE1 4.44Å; Y365-Y391 AromaticContact CE2-CD1 3.76Å; Y365-Y391 HydrophobicContact CE2-CD1 3.76Å; Y365-Y391 AromaticContact CE2-CE1 3.94Å; Y365-Y391 HydrophobicContact CE2-CE1 3.94Å; L373-Y391 VanDerWaalsContact CD1-O 3.27Å; L373-Y391 WeakPolarHBondContact CD1-O 3.03Å; V376-Y391 HydrophobicContact CB-CD2 4.39Å; V376-Y391 HydrophobicContact CG1-CD2 3.88Å; V376-Y391 HydrophobicContact CG1-CE2 4.14Å; V387-Y391 HydrophobicContact CB-CE2 4.13Å; V387-Y391 HydrophobicContact CG2-CD2 4.22Å; V387-Y391 HydrophobicContact CG2-CE2 3.72Å; V387-Y391 VanDerWaalsContact O-CD2 3.29Å; V387-Y391 WeakPolarHBondContact O-CD2 3.46Å; T388-Y391 PolarHBondContact O-N 3.04Å; T388-Y391 VanDerWaalsContact O-N 3.08Å; W389-Y391 VanDerWaalsContact C-N 3.31Å
392	S	95.1	Very high	96.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.007	19%	0.185	C	C	.	.			trans	-131.9	141.4	179.5	-178.9	0	0	0	0	111.3	E366 T388 K394 H395 V398	E366-S392 VanDerWaalsContact OE1-CA 3.3Å; E366-S392 WeakPolarHBondContact OE1-CA 3.32Å; E366-S392 PolarHBondContact OE1-OG 3.03Å; E366-S392 VanDerWaalsContact OE1-OG 3.09Å; E366-S392 VanDerWaalsContact OE2-CB 3.31Å; E366-S392 WeakPolarHBondContact OE2-CB 2.98Å; E366-S392 PolarHBondContact OE2-OG 2.88Å; T388-S392 PolarHBondContact O-N 3.5Å; S392-K394 PolarHBondContact OG-N 3.01Å; S392-K394 VanDerWaalsContact OG-N 3.09Å; S392-H395 PolarHBondContact O-CD2 3.19Å; S392-H395 VanDerWaalsContact O-CD2 3.27Å; S392-H395 PolarHBondContact O-NE2 3.38Å; S392-V398 VanDerWaalsContact OG-CG2 3.26Å; S392-V398 WeakPolarHBondContact OG-CG2 3.28Å
393	C	92.2	Very high	96.7	Very high	25 Å²	25	41.5 Å²	41.5	17%	0.169	21%	0.213	C	C	.	.	S	Bend	trans	-109.4	-5.5	164.1	60.9	0	0	0	0	111.9	L363 E366 I367 K448 P450	L363-C393 HydrophobicContact CD1-CB 4.27Å; L363-C393 HydrophobicContact CD2-CB 4.19Å; E366-C393 PolarHBondContact OE1-N 3.48Å; E366-C393 PolarHBondContact OE1-SG 2.89Å; I367-C393 VanDerWaalsContact CD1-SG 3.57Å; C393-K448 WeakPolarHBondContact CB-O 3.49Å; C393-P450 HydrophobicContact CB-CG 4.45Å; C393-P450 VanDerWaalsContact SG-CG 3.58Å
394	K	92.8	Very high	96.7	Very high	89 Å²	89	46.3 Å²	46.3	39%	0.387	23%	0.234	S	C	.	.			trans	-108.2	57.3	179.8	-62.8	171.7	171.4	-170.5	0	110.6	E366 I367 S392 E396 E397 V398	E366-K394 HydrophobicContact CG-CD 4.41Å; E366-K394 PolarHBondContact OE1-N 3.47Å; E366-K394 VanDerWaalsContact OE1-N 3.16Å; I367-K394 HydrophobicContact CD1-CD 4.32Å; S392-K394 PolarHBondContact OG-N 3.01Å; S392-K394 VanDerWaalsContact OG-N 3.09Å; K394-E396 VanDerWaalsContact C-N 3.3Å; K394-E396 PolarHBondContact O-N 3.37Å; K394-E397 HydrophobicContact CB-CB 4.27Å; K394-E397 HydrophobicContact CB-CG 4.19Å; K394-E397 WeakPolarHBondContact CD-OE1 3.25Å; K394-E397 WeakPolarHBondContact O-CB 3.4Å; K394-E397 PolarHBondContact O-N 2.96Å; K394-V398 PolarHBondContact O-N 3.38Å; K394-V398 VanDerWaalsContact O-N 3.13Å
395	H	95.9	Very high	96.6	Very high	30 Å²	30	47 Å²	47	14%	0.139	24%	0.238	C	C	.	.	H	α-helix	trans	-57.7	-39	-170.2	-68.5	-177.8	0	0	0	113.3	W389 S392 E397 V398 I399 F444	W389-H395 HydrophobicContact CE3-CB 4.13Å; W389-H395 AromaticContact CE3-CD2 3.88Å; W389-H395 AromaticContact CE3-CG 3.69Å; W389-H395 AromaticContact CE3-ND1 3.84Å; W389-H395 HydrophobicContact CZ3-CB 4.01Å; W389-H395 PolarHBondContact O-NE2 3.03Å; S392-H395 PolarHBondContact O-CD2 3.19Å; S392-H395 VanDerWaalsContact O-CD2 3.27Å; S392-H395 PolarHBondContact O-NE2 3.38Å; H395-E397 VanDerWaalsContact C-N 3.33Å; H395-E397 PolarHBondContact O-N 3.47Å; H395-V398 PolarHBondContact O-N 3.4Å; H395-I399 VanDerWaalsContact O-CG1 3.25Å; H395-I399 WeakPolarHBondContact O-CG1 3.18Å; H395-I399 PolarHBondContact O-N 2.85Å; H395-F444 PolarHBondContact CE1-O 2.8Å
396	E	96.6	Very high	96.5	Very high	172 Å²	172	54.6 Å²	54.6	80%	0.804	27%	0.27	S	S	*	.	H	α-helix	trans	-60.4	-41.7	177.1	-64.7	-174.9	169	0	0	112.4	K394 V398 I399 A400	K394-E396 VanDerWaalsContact C-N 3.3Å; K394-E396 PolarHBondContact O-N 3.37Å; E396-V398 VanDerWaalsContact C-N 3.34Å; E396-I399 PolarHBondContact O-N 3.09Å; E396-A400 PolarHBondContact O-N 3.26Å
397	E	97.1	Very high	96.4	Very high	91 Å²	91	57.3 Å²	57.3	43%	0.425	28%	0.282	S	S	.	.	H	α-helix	trans	-67.5	-37.4	177.1	-61.9	-173.1	-154.6	0	0	112	K394 H395 A400 R401	K394-E397 HydrophobicContact CB-CB 4.27Å; K394-E397 HydrophobicContact CB-CG 4.19Å; K394-E397 WeakPolarHBondContact CD-OE1 3.25Å; K394-E397 WeakPolarHBondContact O-CB 3.4Å; K394-E397 PolarHBondContact O-N 2.96Å; H395-E397 VanDerWaalsContact C-N 3.33Å; H395-E397 PolarHBondContact O-N 3.47Å; E397-A400 PolarHBondContact O-N 2.76Å; E397-R401 WeakPolarHBondContact O-CG 3.4Å; E397-R401 VanDerWaalsContact O-CZ 3.29Å; E397-R401 PolarHBondContact O-N 3Å; E397-R401 PolarHBondContact O-NE 3.13Å; E397-R401 PolarHBondContact O-NH1 3.17Å; E397-R401 IonicContact OE2-NH1 2.67Å; E397-R401 PolarHBondContact OE2-NH1 2.91Å
398	V	97.7	Very high	96.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.4	-46.5	175.2	170.2	0	0	0	0	110.4	L373 T388 W389 S392 K394 H395 E396 A400 R401 R402	L373-V398 HydrophobicContact CB-CG2 4.39Å; T388-V398 HydrophobicContact CG2-CG1 3.6Å; W389-V398 HydrophobicContact CZ3-CG1 4.38Å; S392-V398 VanDerWaalsContact OG-CG2 3.26Å; S392-V398 WeakPolarHBondContact OG-CG2 3.28Å; K394-V398 PolarHBondContact O-N 3.38Å; K394-V398 VanDerWaalsContact O-N 3.13Å; H395-V398 PolarHBondContact O-N 3.4Å; E396-V398 VanDerWaalsContact C-N 3.34Å; V398-A400 VanDerWaalsContact C-N 3.27Å; V398-A400 PolarHBondContact O-N 3.06Å; V398-R401 CarbonylContact O-C 3.54Å; V398-R401 WeakPolarHBondContact O-CA 3.26Å; V398-R401 PolarHBondContact O-N 3.02Å; V398-R402 HydrophobicContact CG1-CG 4.26Å; V398-R402 WeakPolarHBondContact O-CG 3.37Å; V398-R402 PolarHBondContact O-N 3.36Å; V398-R402 VanDerWaalsContact O-N 3.12Å
399	I	97.6	Very high	96.2	Very high	100 Å²	100	63.1 Å²	63.1	51%	0.513	32%	0.319	S	S	.	.	H	α-helix	trans	-54.4	-44.9	176	-71.1	163.7	0	0	0	110.4	W389 H395 E396 R401 R402	W389-I399 HydrophobicContact CH2-CD1 4.24Å; W389-I399 HydrophobicContact CH2-CG1 3.67Å; W389-I399 HydrophobicContact CZ3-CD1 4.34Å; W389-I399 HydrophobicContact CZ3-CG1 3.97Å; H395-I399 VanDerWaalsContact O-CG1 3.25Å; H395-I399 WeakPolarHBondContact O-CG1 3.18Å; H395-I399 PolarHBondContact O-N 2.85Å; E396-I399 PolarHBondContact O-N 3.09Å; I399-R401 PolarHBondContact O-N 3.26Å; I399-R401 VanDerWaalsContact O-N 3.17Å; I399-R402 PolarHBondContact O-N 3.22Å; I399-R402 VanDerWaalsContact O-N 3.08Å
400	A	97.8	Very high	96.2	Very high	74 Å²	74	60.6 Å²	60.6	61%	0.612	31%	0.31	S	S	*	.	H	α-helix	trans	-60.4	-26.5	177.5	0	0	0	0	0	113.5	E396 E397 V398	E396-A400 PolarHBondContact O-N 3.26Å; E397-A400 PolarHBondContact O-N 2.76Å; V398-A400 VanDerWaalsContact C-N 3.27Å; V398-A400 PolarHBondContact O-N 3.06Å
401	R	97.6	Very high	96.1	Very high	62 Å²	62	66.3 Å²	66.3	23%	0.234	33%	0.331	C	S	.	.	H	α-helix	trans	-90.1	-13	177.9	-66.7	-177	-69.7	-100.6	5	113.6	L373 E397 V398 I399 T403	L373-R401 PolarHBondContact O-NE 2.62Å; L373-R401 PolarHBondContact O-NH2 2.99Å; E397-R401 WeakPolarHBondContact O-CG 3.4Å; E397-R401 VanDerWaalsContact O-CZ 3.29Å; E397-R401 PolarHBondContact O-N 3Å; E397-R401 PolarHBondContact O-NE 3.13Å; E397-R401 PolarHBondContact O-NH1 3.17Å; E397-R401 IonicContact OE2-NH1 2.67Å; E397-R401 PolarHBondContact OE2-NH1 2.91Å; V398-R401 CarbonylContact O-C 3.54Å; V398-R401 WeakPolarHBondContact O-CA 3.26Å; V398-R401 PolarHBondContact O-N 3.02Å; I399-R401 PolarHBondContact O-N 3.26Å; I399-R401 VanDerWaalsContact O-N 3.17Å; R401-T403 VanDerWaalsContact C-N 3.26Å; R401-T403 PolarHBondContact O-N 3.25Å
402	R	97.1	Very high	96.2	Very high	15 Å²	15	71.4 Å²	71.4	6%	0.057	36%	0.355	C	S	.	.			trans	-80.6	67.1	-178.2	-72.1	173.9	70.4	99.5	-7	112.5	S374 Y375 D386 T388 V398 I399 E407	S374-R402 WeakPolarHBondContact O-CD 3.46Å; S374-R402 WeakPolarHBondContact O-CG 3.41Å; S374-R402 PolarHBondContact O-NH1 3.16Å; Y375-R402 HydrophobicContact CD1-CG 4.31Å; Y375-R402 HydrophobicContact CE1-CB 4.02Å; Y375-R402 HydrophobicContact CE1-CG 3.92Å; Y375-R402 HydrophobicContact CE2-CB 4.41Å; Y375-R402 HydrophobicContact CE2-CG 4.32Å; Y375-R402 VanDerWaalsContact OH-CA 3.23Å; Y375-R402 WeakPolarHBondContact OH-CA 3.48Å; Y375-R402 PolarHBondContact OH-O 3.19Å; D386-R402 IonicContact OD1-NH1 2.63Å; D386-R402 IonicContact OD2-CZ 3.16Å; D386-R402 IonicContact OD2-NH1 3.55Å; D386-R402 PolarHBondContact OD2-NH1 3.3Å; D386-R402 IonicContact OD2-NH2 3.05Å; D386-R402 PolarHBondContact OD2-NH2 2.84Å; T388-R402 PolarHBondContact OG1-NH1 2.7Å; V398-R402 HydrophobicContact CG1-CG 4.26Å; V398-R402 WeakPolarHBondContact O-CG 3.37Å; V398-R402 PolarHBondContact O-N 3.36Å; V398-R402 VanDerWaalsContact O-N 3.12Å; I399-R402 PolarHBondContact O-N 3.22Å; I399-R402 VanDerWaalsContact O-N 3.08Å; R402-E407 IonicContact CZ-OE1 2.91Å; R402-E407 IonicContact CZ-OE2 2.91Å; R402-E407 IonicContact NE-OE1 3.73Å; R402-E407 PolarHBondContact NE-OE1 3.48Å; R402-E407 IonicContact NE-OE2 2.91Å; R402-E407 IonicContact NH2-OE1 2.7Å; R402-E407 PolarHBondContact NH2-OE1 3.27Å; R402-E407 IonicContact NH2-OE2 3.37Å; R402-E407 PolarHBondContact NH2-OE2 3.11Å
403	T	95.6	Very high	96.3	Very high	106 Å²	106	73.3 Å²	73.3	65%	0.65	37%	0.367	S	S	*	.			trans	-106.4	-0.2	-174.2	58.1	0	0	0	0	114.7	Y375 R401	Y375-T403 PolarHBondContact OH-N 3.18Å; R401-T403 VanDerWaalsContact C-N 3.26Å; R401-T403 PolarHBondContact O-N 3.25Å
404	K	94.7	Very high	96.6	Very high	111 Å²	111	72.7 Å²	72.7	48%	0.483	36%	0.362	S	S	.	.	S	Bend	trans	-86.8	-23.2	-171.5	-58.3	-56.8	-176.6	-174.3	0	114.2	I171 Y333 Y375	I171-K404 HydrophobicContact CD1-CB 3.54Å; I171-K404 HydrophobicContact CD1-CG 4.29Å; I171-K404 HydrophobicContact CG1-CB 4.43Å; Y333-K404 HydrophobicContact CE1-CG 4.49Å; Y333-K404 HydrophobicContact CE2-CG 4.45Å; Y375-K404 HydrophobicContact CE2-CB 3.74Å; Y375-K404 HydrophobicContact CE2-CG 3.79Å; Y375-K404 PolarHBondContact OH-N 2.95Å
405	V	95.3	Very high	96.8	Very high	14 Å²	14	72.5 Å²	72.5	9%	0.085	37%	0.365	C	S	.	.	S	Bend	trans	-151.8	146	178.2	62.5	0	0	0	0	109.1	I171 L172 Y375 L409 L410	I171-V405 HydrophobicContact CD1-CG1 4.1Å; L172-V405 HydrophobicContact CD2-CG2 4.47Å; Y375-V405 HydrophobicContact CE1-CG1 3.83Å; Y375-V405 PolarHBondContact OH-N 2.72Å; V405-L409 HydrophobicContact CG2-CB 4.35Å; V405-L409 HydrophobicContact CG2-CD2 4.13Å; V405-L409 HydrophobicContact CG2-CG 4.32Å; V405-L410 HydrophobicContact CG1-CB 3.96Å; V405-L410 HydrophobicContact CG1-CD1 4.44Å; V405-L410 HydrophobicContact CG1-CD2 4.08Å; V405-L410 HydrophobicContact CG1-CG 4.39Å; V405-L410 HydrophobicContact CG2-CB 4.35Å
406	K	95.6	Very high	96.9	Very high	170 Å²	170	72.6 Å²	72.6	74%	0.739	37%	0.374	S	S	*	.			trans	-65.5	133.3	173	-66.8	-177.8	179.1	179.4	0	109.6	A408 L409 L410	K406-A408 VanDerWaalsContact C-N 3.27Å; K406-A408 PolarHBondContact O-N 2.99Å; K406-L409 HydrophobicContact CB-CB 4.26Å; K406-L409 WeakPolarHBondContact O-CB 3.18Å; K406-L409 PolarHBondContact O-N 3.29Å; K406-L410 PolarHBondContact O-N 2.84Å
407	E	96.8	Very high	96.9	Very high	83 Å²	83	65 Å²	65	39%	0.388	34%	0.339	S	S	.	.	H	α-helix	trans	-55.4	-40.4	-179.1	-65.5	-57.8	148	0	0	113	R402 L409 L410 R411	R402-E407 IonicContact CZ-OE1 2.91Å; R402-E407 IonicContact CZ-OE2 2.91Å; R402-E407 IonicContact NE-OE1 3.73Å; R402-E407 PolarHBondContact NE-OE1 3.48Å; R402-E407 IonicContact NE-OE2 2.91Å; R402-E407 IonicContact NH2-OE1 2.7Å; R402-E407 PolarHBondContact NH2-OE1 3.27Å; R402-E407 IonicContact NH2-OE2 3.37Å; R402-E407 PolarHBondContact NH2-OE2 3.11Å; E407-L409 PolarHBondContact O-N 3.04Å; E407-L410 PolarHBondContact O-N 3.1Å; E407-R411 WeakPolarHBondContact O-CB 3.23Å; E407-R411 PolarHBondContact O-N 3.39Å
408	A	96.9	Very high	96.9	Very high	48 Å²	48	61.7 Å²	61.7	40%	0.397	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-44.4	176.7	0	0	0	0	0	112.2	K406 E412	K406-A408 VanDerWaalsContact C-N 3.27Å; K406-A408 PolarHBondContact O-N 2.99Å; A408-E412 VanDerWaalsContact O-CB 3.31Å; A408-E412 WeakPolarHBondContact O-CB 3.09Å; A408-E412 VanDerWaalsContact O-CG 3.29Å; A408-E412 WeakPolarHBondContact O-CG 3.43Å; A408-E412 PolarHBondContact O-N 3.19Å
409	L	96.7	Very high	96.8	Very high	73 Å²	73	69.1 Å²	69.1	38%	0.382	36%	0.356	S	S	.	.	H	α-helix	trans	-67	-41.1	178.6	179.3	61.3	0	0	0	111.4	L172 V405 K406 E407 T413	L172-L409 HydrophobicContact CD1-CD2 4.33Å; V405-L409 HydrophobicContact CG2-CB 4.35Å; V405-L409 HydrophobicContact CG2-CD2 4.13Å; V405-L409 HydrophobicContact CG2-CG 4.32Å; K406-L409 HydrophobicContact CB-CB 4.26Å; K406-L409 WeakPolarHBondContact O-CB 3.18Å; K406-L409 PolarHBondContact O-N 3.29Å; E407-L409 PolarHBondContact O-N 3.04Å; L409-T413 WeakPolarHBondContact O-CB 3.16Å; L409-T413 PolarHBondContact O-N 3.1Å; L409-T413 PolarHBondContact O-OG1 2.94Å
410	L	97	Very high	96.7	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-61.4	-50.7	176.6	178.2	59.3	0	0	0	111.1	I171 L175 Y375 V405 K406 E407 E412 T413 I414	I171-L410 HydrophobicContact CG2-CD1 4.31Å; L175-L410 HydrophobicContact CD1-CD1 3.92Å; Y375-L410 HydrophobicContact CD1-CD2 4.05Å; Y375-L410 HydrophobicContact CE1-CD2 4.12Å; V405-L410 HydrophobicContact CG1-CB 3.96Å; V405-L410 HydrophobicContact CG1-CD1 4.44Å; V405-L410 HydrophobicContact CG1-CD2 4.08Å; V405-L410 HydrophobicContact CG1-CG 4.39Å; V405-L410 HydrophobicContact CG2-CB 4.35Å; K406-L410 PolarHBondContact O-N 2.84Å; E407-L410 PolarHBondContact O-N 3.1Å; L410-E412 PolarHBondContact O-N 3.04Å; L410-T413 PolarHBondContact O-N 3.2Å; L410-I414 HydrophobicContact CD1-CD1 3.87Å; L410-I414 HydrophobicContact CD1-CG1 4.31Å; L410-I414 HydrophobicContact CG-CD1 4.05Å; L410-I414 WeakPolarHBondContact O-CG1 3.16Å; L410-I414 PolarHBondContact O-N 2.74Å
411	R	97.1	Very high	96.5	Very high	126 Å²	126	69 Å²	69	48%	0.475	34%	0.339	S	S	.	.	H	α-helix	trans	-59.3	-46.7	177.5	178.8	-178.4	53.7	63.8	10.6	111.9	E407 T413 I414 N415	E407-R411 WeakPolarHBondContact O-CB 3.23Å; E407-R411 PolarHBondContact O-N 3.39Å; R411-T413 VanDerWaalsContact C-N 3.35Å; R411-I414 PolarHBondContact O-N 3.01Å; R411-N415 WeakPolarHBondContact O-CB 3.16Å; R411-N415 PolarHBondContact O-N 2.91Å; R411-N415 PolarHBondContact O-OD1 2.91Å
412	E	97.6	Very high	96.4	Very high	108 Å²	108	67.7 Å²	67.7	51%	0.505	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-39.4	179.4	-77.8	161.9	-155.6	0	0	112.2	A408 L410 N415 G416	A408-E412 VanDerWaalsContact O-CB 3.31Å; A408-E412 WeakPolarHBondContact O-CB 3.09Å; A408-E412 VanDerWaalsContact O-CG 3.29Å; A408-E412 WeakPolarHBondContact O-CG 3.43Å; A408-E412 PolarHBondContact O-N 3.19Å; L410-E412 PolarHBondContact O-N 3.04Å; E412-N415 PolarHBondContact O-N 2.87Å; E412-G416 PolarHBondContact O-N 2.88Å
413	T	97.5	Very high	96.3	Very high	41 Å²	41	72.1 Å²	72.1	25%	0.252	36%	0.36	S	S	.	.	H	α-helix	trans	-62.4	-50.7	174.8	-55.8	0	0	0	0	110.9	L172 L175 L409 L410 R411 N415 G416 L417	L172-T413 HydrophobicContact CD2-CG2 4.08Å; L175-T413 HydrophobicContact CD1-CG2 3.97Å; L409-T413 WeakPolarHBondContact O-CB 3.16Å; L409-T413 PolarHBondContact O-N 3.1Å; L409-T413 PolarHBondContact O-OG1 2.94Å; L410-T413 PolarHBondContact O-N 3.2Å; R411-T413 VanDerWaalsContact C-N 3.35Å; T413-N415 VanDerWaalsContact C-N 3.33Å; T413-N415 PolarHBondContact O-N 2.79Å; T413-G416 PolarHBondContact O-N 3.21Å; T413-L417 HydrophobicContact CG2-CD1 4.21Å; T413-L417 HydrophobicContact CG2-CG 4.48Å; T413-L417 WeakPolarHBondContact O-CG 3.47Å; T413-L417 PolarHBondContact O-N 3.47Å
414	I	97.9	Very high	96	Very high	11 Å²	11	76.2 Å²	76.2	6%	0.056	37%	0.369	C	S	.	.	H	α-helix	trans	-58.9	-44.7	177.8	-70.7	172.4	0	0	0	110.9	L175 V384 D386 L410 R411 G416 L417 N418	L175-I414 HydrophobicContact CD1-CG1 4.23Å; V384-I414 HydrophobicContact CB-CG2 4.36Å; V384-I414 HydrophobicContact CG1-CG1 4.2Å; V384-I414 HydrophobicContact CG1-CG2 4.43Å; V384-I414 WeakPolarHBondContact O-CG2 3.41Å; D386-I414 HydrophobicContact CB-CD1 4.11Å; L410-I414 HydrophobicContact CD1-CD1 3.87Å; L410-I414 HydrophobicContact CD1-CG1 4.31Å; L410-I414 HydrophobicContact CG-CD1 4.05Å; L410-I414 WeakPolarHBondContact O-CG1 3.16Å; L410-I414 PolarHBondContact O-N 2.74Å; R411-I414 PolarHBondContact O-N 3.01Å; I414-G416 VanDerWaalsContact C-N 3.34Å; I414-G416 PolarHBondContact O-N 3.38Å; I414-L417 PolarHBondContact O-N 2.7Å; I414-N418 WeakPolarHBondContact O-CB 3.43Å; I414-N418 PolarHBondContact O-N 3.09Å
415	N	97.3	Very high	96.1	Very high	86 Å²	86	73 Å²	73	46%	0.46	36%	0.357	S	S	.	.	H	α-helix	trans	-61.8	-40.8	177.5	-73.8	-7	0	0	0	112.3	R411 E412 T413 K419	R411-N415 WeakPolarHBondContact O-CB 3.16Å; R411-N415 PolarHBondContact O-N 2.91Å; R411-N415 PolarHBondContact O-OD1 2.91Å; E412-N415 PolarHBondContact O-N 2.87Å; T413-N415 VanDerWaalsContact C-N 3.33Å; T413-N415 PolarHBondContact O-N 2.79Å; N415-K419 VanDerWaalsContact O-CB 3.29Å; N415-K419 WeakPolarHBondContact O-CB 3.5Å; N415-K419 PolarHBondContact O-N 3.43Å
416	G	97.5	Very high	96.2	Very high	32 Å²	32	75.9 Å²	75.9	33%	0.33	38%	0.378	S	S	.	.	H	α-helix	trans	-62.1	-46.6	175	0	0	0	0	0	112.2	E412 T413 I414 K419 Q420	E412-G416 PolarHBondContact O-N 2.88Å; T413-G416 PolarHBondContact O-N 3.21Å; I414-G416 VanDerWaalsContact C-N 3.34Å; I414-G416 PolarHBondContact O-N 3.38Å; G416-K419 PolarHBondContact O-N 2.96Å; G416-Q420 WeakPolarHBondContact O-CG 3.34Å; G416-Q420 PolarHBondContact O-N 2.97Å
417	L	96.5	Very high	96.2	Very high	13 Å²	13	74.6 Å²	74.6	7%	0.068	38%	0.375	C	S	.	.	H	α-helix	trans	-60.7	-46.5	176.6	-71.6	177.4	0	0	0	112	L175 I179 T413 I414 Q420 R421	L175-L417 HydrophobicContact CB-CD1 4.13Å; I179-L417 HydrophobicContact CD1-CB 3.78Å; I179-L417 HydrophobicContact CD1-CD1 4.17Å; I179-L417 HydrophobicContact CD1-CD2 3.79Å; I179-L417 HydrophobicContact CD1-CG 4.11Å; T413-L417 HydrophobicContact CG2-CD1 4.21Å; T413-L417 HydrophobicContact CG2-CG 4.48Å; T413-L417 WeakPolarHBondContact O-CG 3.47Å; T413-L417 PolarHBondContact O-N 3.47Å; I414-L417 PolarHBondContact O-N 2.7Å; L417-Q420 PolarHBondContact O-N 2.93Å; L417-R421 WeakPolarHBondContact O-CB 3.31Å; L417-R421 PolarHBondContact O-N 2.98Å
418	N	96.9	Very high	96.2	Very high	21 Å²	21	77 Å²	77	11%	0.112	39%	0.39	C	S	.	.	H	α-helix	trans	-63.6	-44.4	176.7	-72.7	-17.1	0	0	0	111.4	E383 V384 I414 Q420 R421 Q422	E383-N418 WeakPolarHBondContact CA-OD1 3.32Å; V384-N418 PolarHBondContact N-OD1 2.92Å; V384-N418 PolarHBondContact O-ND2 3.47Å; V384-N418 PolarHBondContact O-OD1 2.99Å; I414-N418 WeakPolarHBondContact O-CB 3.43Å; I414-N418 PolarHBondContact O-N 3.09Å; N418-Q420 VanDerWaalsContact C-N 3.31Å; N418-Q420 PolarHBondContact O-N 3.25Å; N418-R421 PolarHBondContact O-N 2.73Å; N418-Q422 VanDerWaalsContact O-CB 3.28Å; N418-Q422 WeakPolarHBondContact O-CB 3.46Å; N418-Q422 WeakPolarHBondContact O-CG 3.41Å; N418-Q422 PolarHBondContact O-N 2.97Å
419	K	96.1	Very high	96.2	Very high	156 Å²	156	76.4 Å²	76.4	68%	0.678	38%	0.377	S	S	*	.	H	α-helix	trans	-56.9	-47.1	177.1	-175.2	175.8	-177.3	178.3	0	111	N415 G416 L423	N415-K419 VanDerWaalsContact O-CB 3.29Å; N415-K419 WeakPolarHBondContact O-CB 3.5Å; N415-K419 PolarHBondContact O-N 3.43Å; G416-K419 PolarHBondContact O-N 2.96Å; K419-L423 VanDerWaalsContact O-CG 3.29Å; K419-L423 WeakPolarHBondContact O-CG 3.28Å; K419-L423 PolarHBondContact O-N 3.39Å
420	Q	94.8	Very high	96.2	Very high	131 Å²	131	78.2 Å²	78.2	61%	0.612	38%	0.379	S	S	*	.	H	α-helix	trans	-62.7	-46.8	177.9	-74.5	179.3	-19.4	0	0	112.2	G416 L417 N418 Q422 L423	G416-Q420 WeakPolarHBondContact O-CG 3.34Å; G416-Q420 PolarHBondContact O-N 2.97Å; L417-Q420 PolarHBondContact O-N 2.93Å; N418-Q420 VanDerWaalsContact C-N 3.31Å; N418-Q420 PolarHBondContact O-N 3.25Å; Q420-Q422 VanDerWaalsContact C-N 3.33Å; Q420-Q422 PolarHBondContact O-N 3.36Å; Q420-L423 WeakPolarHBondContact O-CB 3.3Å; Q420-L423 WeakPolarHBondContact O-CG 3.36Å; Q420-L423 PolarHBondContact O-N 3.31Å
421	R	93.8	Very high	96.2	Very high	40 Å²	40	84.4 Å²	84.4	15%	0.151	41%	0.406	C	S	.	.	H	α-helix	trans	-64.4	-38.9	-178.9	-167.6	120.3	70.1	154.3	12.7	112.8	I179 S380 K381 E383 L417 N418 L423	I179-R421 VanDerWaalsContact CG1-NH2 3.27Å; I179-R421 PolarHBondContact O-NH1 2.91Å; S380-R421 PolarHBondContact O-NH1 2.94Å; S380-R421 VanDerWaalsContact O-NH1 3.13Å; S380-R421 PolarHBondContact O-NH2 3.41Å; K381-R421 VanDerWaalsContact O-CD 3.23Å; K381-R421 WeakPolarHBondContact O-CD 3.31Å; K381-R421 WeakPolarHBondContact O-CG 3.19Å; E383-R421 PolarHBondContact O-NH2 2.89Å; L417-R421 WeakPolarHBondContact O-CB 3.31Å; L417-R421 PolarHBondContact O-N 2.98Å; N418-R421 PolarHBondContact O-N 2.73Å; R421-L423 VanDerWaalsContact C-N 3.32Å; R421-L423 PolarHBondContact O-N 2.88Å
422	Q	95.9	Very high	96.2	Very high	34 Å²	34	81.8 Å²	81.8	16%	0.159	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-83.5	-3.9	-175.9	-62.7	179.9	7.9	0	0	113.6	E383 N418 Q420 F424 L425 R430 L433	E383-Q422 PolarHBondContact OE1-NE2 3.36Å; N418-Q422 VanDerWaalsContact O-CB 3.28Å; N418-Q422 WeakPolarHBondContact O-CB 3.46Å; N418-Q422 WeakPolarHBondContact O-CG 3.41Å; N418-Q422 PolarHBondContact O-N 2.97Å; Q420-Q422 VanDerWaalsContact C-N 3.33Å; Q420-Q422 PolarHBondContact O-N 3.36Å; Q422-F424 PolarHBondContact O-N 3.48Å; Q422-F424 VanDerWaalsContact O-N 3.15Å; Q422-L425 HydrophobicContact CB-CD1 4.01Å; Q422-L425 HydrophobicContact CB-CG 4.49Å; Q422-L425 HydrophobicContact CG-CD1 3.81Å; Q422-L425 PolarHBondContact O-N 3.11Å; Q422-L425 VanDerWaalsContact O-N 3.1Å; Q422-R430 HydrophobicContact CB-CG 4.46Å; Q422-L433 HydrophobicContact CG-CD1 4.46Å
423	L	94.4	Very high	96.1	Very high	108 Å²	108	76.7 Å²	76.7	57%	0.565	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-53.7	-36.7	-179	-76	177.1	0	0	0	113	K419 Q420 R421	K419-L423 VanDerWaalsContact O-CG 3.29Å; K419-L423 WeakPolarHBondContact O-CG 3.28Å; K419-L423 PolarHBondContact O-N 3.39Å; Q420-L423 WeakPolarHBondContact O-CB 3.3Å; Q420-L423 WeakPolarHBondContact O-CG 3.36Å; Q420-L423 PolarHBondContact O-N 3.31Å; R421-L423 VanDerWaalsContact C-N 3.32Å; R421-L423 PolarHBondContact O-N 2.88Å
424	F	90.8	Very high	96.1	Very high	193 Å²	193	80 Å²	80	85%	0.846	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-98.3	3.8	-175.5	-55.9	-73.8	0	0	0	113.6	Q422	Q422-F424 PolarHBondContact O-N 3.48Å; Q422-F424 VanDerWaalsContact O-N 3.15Å
425	L	95.4	Very high	95.9	Very high	42 Å²	42	85 Å²	85	22%	0.22	41%	0.414	C	S	.	.	S	Bend	trans	-79.4	148.9	176.1	-64	-178	0	0	0	111.2	Q422 R429 R430 L433	Q422-L425 HydrophobicContact CB-CD1 4.01Å; Q422-L425 HydrophobicContact CB-CG 4.49Å; Q422-L425 HydrophobicContact CG-CD1 3.81Å; Q422-L425 PolarHBondContact O-N 3.11Å; Q422-L425 VanDerWaalsContact O-N 3.1Å; L425-R429 HydrophobicContact CB-CB 4.49Å; L425-R429 HydrophobicContact CB-CG 4.5Å; L425-R429 HydrophobicContact CD1-CG 4.14Å; L425-R430 HydrophobicContact CB-CG 3.93Å; L425-R430 PolarHBondContact O-NE 2.92Å; L425-L433 HydrophobicContact CD1-CD1 3.74Å
426	S	97.1	Very high	95.9	Very high	75 Å²	75	81.8 Å²	81.8	52%	0.524	40%	0.395	S	S	.	.			trans	-59.9	153.6	173.3	70.9	0	0	0	0	111.1	N428 R429 R430	S426-N428 VanDerWaalsContact C-N 3.27Å; S426-N428 PolarHBondContact O-N 2.99Å; S426-R429 PolarHBondContact O-N 2.91Å; S426-R429 WeakPolarHBondContact OG-CB 3.37Å; S426-R429 PolarHBondContact OG-N 3.4Å; S426-R430 PolarHBondContact O-N 3.23Å
427	E	95.9	Very high	95.9	Very high	144 Å²	144	82 Å²	82	67%	0.673	39%	0.388	S	S	*	.	H	α-helix	trans	-57.7	-41.6	176.2	-170.5	-177.9	165.5	0	0	112	R429 R430 K431	E427-R429 PolarHBondContact O-N 3.47Å; E427-R430 PolarHBondContact O-N 2.64Å; E427-K431 WeakPolarHBondContact O-CB 3.38Å; E427-K431 PolarHBondContact O-N 3.41Å
428	N	97.3	Very high	95.8	Very high	132 Å²	132	86 Å²	86	71%	0.706	41%	0.409	S	S	*	.	H	α-helix	trans	-59.6	-45.1	176.8	-70.5	-13	0	0	0	112	S426 K431 E432	S426-N428 VanDerWaalsContact C-N 3.27Å; S426-N428 PolarHBondContact O-N 2.99Å; N428-K431 PolarHBondContact O-N 2.67Å; N428-E432 WeakPolarHBondContact O-CB 3.18Å; N428-E432 PolarHBondContact O-N 3.23Å
429	R	96.8	Very high	95.6	Very high	36 Å²	36	88.5 Å²	88.5	14%	0.136	43%	0.425	C	S	.	.	H	α-helix	trans	-65.8	-41.6	178.2	-177.6	56.6	176.1	178.5	0.9	111.5	E326 D382 L425 S426 E427 K431 E432 L433	E326-R429 VanDerWaalsContact CD-NH2 3.34Å; E326-R429 IonicContact OE1-CZ 3.88Å; E326-R429 IonicContact OE1-NH1 2.85Å; E326-R429 PolarHBondContact OE1-NH1 3.4Å; E326-R429 IonicContact OE1-NH2 2.74Å; E326-R429 IonicContact OE2-CZ 3.99Å; E326-R429 IonicContact OE2-NH1 3.26Å; E326-R429 IonicContact OE2-NH2 2.91Å; E326-R429 PolarHBondContact OE2-NH2 3.13Å; D382-R429 IonicContact OD2-CZ 2.71Å; D382-R429 IonicContact OD2-NE 3.84Å; D382-R429 PolarHBondContact OD2-NE 2.99Å; D382-R429 IonicContact OD2-NH2 3.33Å; D382-R429 PolarHBondContact OD2-NH2 2.92Å; L425-R429 HydrophobicContact CB-CB 4.49Å; L425-R429 HydrophobicContact CB-CG 4.5Å; L425-R429 HydrophobicContact CD1-CG 4.14Å; S426-R429 PolarHBondContact O-N 2.91Å; S426-R429 WeakPolarHBondContact OG-CB 3.37Å; S426-R429 PolarHBondContact OG-N 3.4Å; E427-R429 PolarHBondContact O-N 3.47Å; R429-K431 VanDerWaalsContact C-N 3.33Å; R429-K431 PolarHBondContact O-N 2.83Å; R429-E432 WeakPolarHBondContact CD-OE2 3.37Å; R429-E432 IonicContact CZ-OE2 3.72Å; R429-E432 IonicContact NE-OE2 2.97Å; R429-E432 IonicContact NH1-OE1 3.71Å; R429-E432 IonicContact NH1-OE2 3.53Å; R429-E432 PolarHBondContact NH1-OE2 3.12Å; R429-E432 PolarHBondContact O-N 2.95Å; R429-L433 HydrophobicContact CG-CD1 4.27Å; R429-L433 HydrophobicContact CG-CG 4.45Å; R429-L433 VanDerWaalsContact O-CG 3.29Å; R429-L433 WeakPolarHBondContact O-CG 3.44Å; R429-L433 PolarHBondContact O-N 2.99Å
430	R	96.4	Very high	95.6	Very high	112 Å²	112	81.2 Å²	81.2	42%	0.423	39%	0.393	S	S	.	.	H	α-helix	trans	-61.4	-40.9	175.5	-71.2	-177.9	-72.2	158.8	2.7	112.1	Q422 L425 S426 E427 L433 L434	Q422-R430 HydrophobicContact CB-CG 4.46Å; L425-R430 HydrophobicContact CB-CG 3.93Å; L425-R430 PolarHBondContact O-NE 2.92Å; S426-R430 PolarHBondContact O-N 3.23Å; E427-R430 PolarHBondContact O-N 2.64Å; R430-L433 PolarHBondContact O-N 3.33Å; R430-L434 WeakPolarHBondContact O-CB 3.25Å; R430-L434 PolarHBondContact O-N 3.22Å
431	K	96.4	Very high	95.6	Very high	132 Å²	132	79.4 Å²	79.4	57%	0.574	39%	0.387	S	S	*	.	H	α-helix	trans	-65.8	-41.3	176.5	-172.3	177.4	-179.1	179.3	0	112	E427 N428 R429 L434 Q435	E427-K431 WeakPolarHBondContact O-CB 3.38Å; E427-K431 PolarHBondContact O-N 3.41Å; N428-K431 PolarHBondContact O-N 2.67Å; R429-K431 VanDerWaalsContact C-N 3.33Å; R429-K431 PolarHBondContact O-N 2.83Å; K431-L434 PolarHBondContact O-N 2.93Å; K431-Q435 WeakPolarHBondContact O-CG 3.39Å; K431-Q435 PolarHBondContact O-N 2.99Å
432	E	97.1	Very high	95.5	Very high	70 Å²	70	81.4 Å²	81.4	33%	0.327	40%	0.404	S	S	.	.	H	α-helix	trans	-61.7	-49	174.7	-179.4	-174.8	-161.2	0	0	111.5	N428 R429 L434 Q435 R436	N428-E432 WeakPolarHBondContact O-CB 3.18Å; N428-E432 PolarHBondContact O-N 3.23Å; R429-E432 WeakPolarHBondContact CD-OE2 3.37Å; R429-E432 IonicContact CZ-OE2 3.72Å; R429-E432 IonicContact NE-OE2 2.97Å; R429-E432 IonicContact NH1-OE1 3.71Å; R429-E432 IonicContact NH1-OE2 3.53Å; R429-E432 PolarHBondContact NH1-OE2 3.12Å; R429-E432 PolarHBondContact O-N 2.95Å; E432-L434 VanDerWaalsContact C-N 3.27Å; E432-L434 PolarHBondContact O-N 3.05Å; E432-Q435 WeakPolarHBondContact O-CB 3.3Å; E432-Q435 PolarHBondContact O-N 2.8Å; E432-R436 WeakPolarHBondContact O-CG 3.05Å; E432-R436 PolarHBondContact O-N 2.86Å; E432-R436 IonicContact OE1-CZ 2.73Å; E432-R436 IonicContact OE1-NE 3.44Å; E432-R436 PolarHBondContact OE1-NE 3.23Å; E432-R436 IonicContact OE1-NH2 3.96Å; E432-R436 PolarHBondContact OE1-NH2 2.94Å
433	L	97.2	Very high	95.2	Very high	1 Å²	1	81.5 Å²	81.5	1%	0.005	40%	0.404	C	S	.	.	H	α-helix	trans	-58.3	-40.6	176.5	-68.7	175.2	0	0	0	111.5	D382 E383 Q422 L425 R429 R430 Q435 R436 I437	D382-L433 HydrophobicContact CB-CD1 4.05Å; D382-L433 HydrophobicContact CB-CD2 4.48Å; E383-L433 HydrophobicContact CG-CD1 4.34Å; Q422-L433 HydrophobicContact CG-CD1 4.46Å; L425-L433 HydrophobicContact CD1-CD1 3.74Å; R429-L433 HydrophobicContact CG-CD1 4.27Å; R429-L433 HydrophobicContact CG-CG 4.45Å; R429-L433 VanDerWaalsContact O-CG 3.29Å; R429-L433 WeakPolarHBondContact O-CG 3.44Å; R429-L433 PolarHBondContact O-N 2.99Å; R430-L433 PolarHBondContact O-N 3.33Å; L433-Q435 VanDerWaalsContact C-N 3.33Å; L433-Q435 PolarHBondContact O-N 3.28Å; L433-R436 PolarHBondContact O-N 3.44Å; L433-I437 PolarHBondContact O-N 2.9Å
434	L	95.9	Very high	95.3	Very high	112 Å²	112	76.9 Å²	76.9	59%	0.586	38%	0.38	S	S	*	.	H	α-helix	trans	-63.1	-35.8	175.2	-172.3	66.9	0	0	0	112.9	R430 K431 E432 I437 I438	R430-L434 WeakPolarHBondContact O-CB 3.25Å; R430-L434 PolarHBondContact O-N 3.22Å; K431-L434 PolarHBondContact O-N 2.93Å; E432-L434 VanDerWaalsContact C-N 3.27Å; E432-L434 PolarHBondContact O-N 3.05Å; L434-I437 HydrophobicContact CD1-CG2 4.27Å; L434-I437 VanDerWaalsContact O-CG2 3.28Å; L434-I437 WeakPolarHBondContact O-CG2 3.43Å; L434-I438 WeakPolarHBondContact O-CG1 3.29Å
435	Q	95.4	Very high	95.3	Very high	116 Å²	116	74 Å²	74	54%	0.542	37%	0.372	S	S	.	.	H	α-helix	trans	-69.9	-41.9	174.7	-71.6	171	-22.5	0	0	111.3	K431 E432 L433 I438 V439	K431-Q435 WeakPolarHBondContact O-CG 3.39Å; K431-Q435 PolarHBondContact O-N 2.99Å; E432-Q435 WeakPolarHBondContact O-CB 3.3Å; E432-Q435 PolarHBondContact O-N 2.8Å; L433-Q435 VanDerWaalsContact C-N 3.33Å; L433-Q435 PolarHBondContact O-N 3.28Å; Q435-I438 PolarHBondContact O-N 3.49Å; Q435-V439 PolarHBondContact O-N 3.04Å
436	R	96.6	Very high	94.9	Very high	17 Å²	17	75.1 Å²	75.1	6%	0.064	38%	0.383	C	S	.	.	H	α-helix	trans	-65.3	-41.5	179.5	-67.2	179	-178.2	-164.5	4.4	112.2	E326 Y342 E432 L433 I438 V439 E440	E326-R436 IonicContact OE1-CZ 3.32Å; E326-R436 IonicContact OE1-NH1 3.36Å; E326-R436 PolarHBondContact OE1-NH1 2.96Å; E326-R436 IonicContact OE1-NH2 2.83Å; E326-R436 PolarHBondContact OE1-NH2 3.29Å; E326-R436 IonicContact OE2-CZ 3.45Å; E326-R436 IonicContact OE2-NH1 3.64Å; E326-R436 PolarHBondContact OE2-NH1 3.17Å; E326-R436 IonicContact OE2-NH2 3.77Å; Y342-R436 VanDerWaalsContact CD1-NH1 3.31Å; Y342-R436 HydrophobicContact CE2-CG 4.02Å; Y342-R436 VanDerWaalsContact CZ-NE 3.34Å; Y342-R436 WeakPolarHBondContact OH-CG 3.41Å; Y342-R436 PolarHBondContact OH-NE 3.45Å; E432-R436 WeakPolarHBondContact O-CG 3.05Å; E432-R436 PolarHBondContact O-N 2.86Å; E432-R436 IonicContact OE1-CZ 2.73Å; E432-R436 IonicContact OE1-NE 3.44Å; E432-R436 PolarHBondContact OE1-NE 3.23Å; E432-R436 IonicContact OE1-NH2 3.96Å; E432-R436 PolarHBondContact OE1-NH2 2.94Å; L433-R436 PolarHBondContact O-N 3.44Å; R436-I438 VanDerWaalsContact C-N 3.25Å; R436-I438 PolarHBondContact O-N 3.19Å; R436-V439 WeakPolarHBondContact O-CB 3.21Å; R436-V439 PolarHBondContact O-N 3.45Å; R436-V439 VanDerWaalsContact O-N 3.11Å; R436-E440 PolarHBondContact O-N 2.94Å; R436-E440 VanDerWaalsContact O-N 3.13Å
437	I	96.6	Very high	94.2	Very high	36 Å²	36	74.9 Å²	74.9	19%	0.185	38%	0.38	C	S	.	.	H	α-helix	trans	-65.5	-29.1	178.7	-164.5	64.6	0	0	0	112.1	V385 L433 L434 V439 E440 L441	V385-I437 HydrophobicContact CG1-CD1 3.96Å; V385-I437 HydrophobicContact CG2-CD1 4.24Å; L433-I437 PolarHBondContact O-N 2.9Å; L434-I437 HydrophobicContact CD1-CG2 4.27Å; L434-I437 VanDerWaalsContact O-CG2 3.28Å; L434-I437 WeakPolarHBondContact O-CG2 3.43Å; I437-V439 VanDerWaalsContact C-N 3.35Å; I437-E440 HydrophobicContact CD1-CB 4.35Å; I437-E440 PolarHBondContact O-N 3.27Å; I437-L441 HydrophobicContact CG1-CD1 4.38Å; I437-L441 HydrophobicContact CG1-CG 4.35Å; I437-L441 WeakPolarHBondContact O-CB 3.38Å; I437-L441 VanDerWaalsContact O-CG 3.25Å; I437-L441 WeakPolarHBondContact O-CG 3.49Å; I437-L441 PolarHBondContact O-N 3.09Å
438	I	94.6	Very high	93.3	Very high	99 Å²	99	71.4 Å²	71.4	51%	0.508	36%	0.362	S	S	.	.	H	α-helix	trans	-62.7	-43.6	172.9	-67.7	167.4	0	0	0	110.4	L434 Q435 R436 E440 L441 V442	L434-I438 WeakPolarHBondContact O-CG1 3.29Å; Q435-I438 PolarHBondContact O-N 3.49Å; R436-I438 VanDerWaalsContact C-N 3.25Å; R436-I438 PolarHBondContact O-N 3.19Å; I438-E440 VanDerWaalsContact C-N 3.34Å; I438-E440 PolarHBondContact O-N 3.33Å; I438-L441 PolarHBondContact O-N 3.45Å; I438-V442 WeakPolarHBondContact O-CG2 3.36Å; I438-V442 PolarHBondContact O-N 3.14Å
439	V	93.6	Very high	92.1	Very high	72 Å²	72	70.8 Å²	70.8	44%	0.436	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-45.2	176	179.3	0	0	0	0	110.7	Q435 R436 I437 V442 E443	Q435-V439 PolarHBondContact O-N 3.04Å; R436-V439 WeakPolarHBondContact O-CB 3.21Å; R436-V439 PolarHBondContact O-N 3.45Å; R436-V439 VanDerWaalsContact O-N 3.11Å; I437-V439 VanDerWaalsContact C-N 3.35Å; V439-V442 PolarHBondContact O-N 3.04Å; V439-E443 PolarHBondContact O-N 2.91Å
440	E	95.3	Very high	90.3	Very high	3 Å²	3	71.5 Å²	71.5	1%	0.014	37%	0.373	C	S	.	.	H	α-helix	trans	-64.2	-43.3	177.4	-64.1	-164.1	81.4	0	0	112.4	R328 W349 R390 R436 I437 I438 V442 E443 F444	R328-E440 IonicContact CZ-OE1 3.56Å; R328-E440 IonicContact CZ-OE2 2.83Å; R328-E440 IonicContact NH1-OE1 2.67Å; R328-E440 PolarHBondContact NH1-OE1 2.8Å; R328-E440 IonicContact NH1-OE2 2.8Å; R328-E440 PolarHBondContact NH1-OE2 3Å; R328-E440 VanDerWaalsContact NH1-OE2 3.09Å; R328-E440 IonicContact NH2-OE1 3.41Å; R328-E440 IonicContact NH2-OE2 3.65Å; R328-E440 PolarHBondContact NH2-OE2 2.83Å; W349-E440 PolarHBondContact NE1-OE2 3.1Å; R390-E440 IonicContact CZ-OE1 3.98Å; R390-E440 IonicContact NH1-OE1 3.54Å; R390-E440 PolarHBondContact NH1-OE1 2.89Å; R390-E440 VanDerWaalsContact NH1-OE1 3.11Å; R390-E440 IonicContact NH2-OE1 2.92Å; R390-E440 PolarHBondContact NH2-OE1 2.95Å; R436-E440 PolarHBondContact O-N 2.94Å; R436-E440 VanDerWaalsContact O-N 3.13Å; I437-E440 HydrophobicContact CD1-CB 4.35Å; I437-E440 PolarHBondContact O-N 3.27Å; I438-E440 VanDerWaalsContact C-N 3.34Å; I438-E440 PolarHBondContact O-N 3.33Å; E440-V442 VanDerWaalsContact C-N 3.31Å; E440-V442 PolarHBondContact O-N 3.27Å; E440-E443 CarbonylContact O-C 3.46Å; E440-E443 WeakPolarHBondContact O-CA 3.41Å; E440-E443 WeakPolarHBondContact O-CB 3.33Å; E440-E443 PolarHBondContact O-N 2.85Å; E440-E443 VanDerWaalsContact O-N 3.14Å; E440-F444 HydrophobicContact CB-CE1 4.27Å; E440-F444 HydrophobicContact CB-CE2 4.08Å; E440-F444 HydrophobicContact CB-CZ 3.82Å; E440-F444 WeakPolarHBondContact O-CD1 3.49Å; E440-F444 WeakPolarHBondContact O-CD2 3.38Å; E440-F444 WeakPolarHBondContact O-CG 3.4Å; E440-F444 PolarHBondContact O-N 3.36Å
441	L	94.3	Very high	88.1	Confident	94 Å²	94	72.7 Å²	72.7	49%	0.492	38%	0.381	S	S	.	.	H	α-helix	trans	-63.2	-38.3	178.6	-72	172.9	0	0	0	112	I437 I438 F444 I445	I437-L441 HydrophobicContact CG1-CD1 4.38Å; I437-L441 HydrophobicContact CG1-CG 4.35Å; I437-L441 WeakPolarHBondContact O-CB 3.38Å; I437-L441 VanDerWaalsContact O-CG 3.25Å; I437-L441 WeakPolarHBondContact O-CG 3.49Å; I437-L441 PolarHBondContact O-N 3.09Å; I438-L441 PolarHBondContact O-N 3.45Å; L441-F444 HydrophobicContact CD2-CD2 4.18Å; L441-F444 PolarHBondContact O-N 3.14Å; L441-I445 WeakPolarHBondContact O-CG1 3.47Å; L441-I445 PolarHBondContact O-N 3.24Å; L441-I445 VanDerWaalsContact O-N 3.13Å
442	V	92.1	Very high	85.5	Confident	82 Å²	82	72.6 Å²	72.6	50%	0.497	39%	0.394	S	S	.	.	H	α-helix	trans	-65	-41.4	173.2	173.5	0	0	0	0	110.9	I438 V439 E440 F444 I445 S446	I438-V442 WeakPolarHBondContact O-CG2 3.36Å; I438-V442 PolarHBondContact O-N 3.14Å; V439-V442 PolarHBondContact O-N 3.04Å; E440-V442 VanDerWaalsContact C-N 3.31Å; E440-V442 PolarHBondContact O-N 3.27Å; V442-F444 VanDerWaalsContact C-N 3.33Å; V442-F444 PolarHBondContact O-N 2.87Å; V442-I445 WeakPolarHBondContact O-CG1 3.42Å; V442-S446 WeakPolarHBondContact O-CB 3.35Å; V442-S446 PolarHBondContact O-N 2.92Å; V442-S446 PolarHBondContact O-OG 2.84Å
443	E	90.8	Very high	82.9	Confident	35 Å²	35	71 Å²	71	16%	0.164	40%	0.396	C	S	.	.	H	α-helix	trans	-58.9	-44.7	171.9	-176.7	-173.6	-167.4	0	0	111	R390 V439 E440 I445 S446 K448	R390-E443 IonicContact CZ-OE2 3.25Å; R390-E443 IonicContact NE-OE1 3.61Å; R390-E443 IonicContact NE-OE2 2.64Å; R390-E443 PolarHBondContact NE-OE2 2.93Å; R390-E443 IonicContact NH2-OE2 3.89Å; R390-E443 PolarHBondContact NH2-OE2 2.99Å; V439-E443 PolarHBondContact O-N 2.91Å; E440-E443 CarbonylContact O-C 3.46Å; E440-E443 WeakPolarHBondContact O-CA 3.41Å; E440-E443 WeakPolarHBondContact O-CB 3.33Å; E440-E443 PolarHBondContact O-N 2.85Å; E440-E443 VanDerWaalsContact O-N 3.14Å; E443-I445 VanDerWaalsContact C-N 3.34Å; E443-I445 PolarHBondContact O-N 2.94Å; E443-S446 CarbonylContact O-C 3.44Å; E443-S446 PolarHBondContact O-N 2.8Å; E443-S446 VanDerWaalsContact O-N 3.07Å; E443-K448 WeakPolarHBondContact OE1-CE 3.34Å; E443-K448 IonicContact OE1-NZ 3.66Å; E443-K448 PolarHBondContact OE1-NZ 2.85Å
444	F	95.1	Very high	80.3	Confident	11 Å²	11	73.7 Å²	73.7	5%	0.048	41%	0.409	C	S	.	.	H	α-helix	trans	-66.3	-32.3	-175.9	-64.1	-12.7	0	0	0	113.7	V385 D386 V387 W389 R390 H395 E440 L441 V442 S446	V385-F444 HydrophobicContact CG1-CE2 4.2Å; V385-F444 HydrophobicContact CG1-CZ 4.36Å; D386-F444 WeakPolarHBondContact O-CE2 3.34Å; V387-F444 HydrophobicContact CB-CZ 4.36Å; V387-F444 HydrophobicContact CG1-CZ 4.15Å; W389-F444 HydrophobicContact CB-CB 3.58Å; W389-F444 HydrophobicContact CB-CD1 3.97Å; W389-F444 HydrophobicContact CB-CG 3.83Å; W389-F444 AromaticContact CD1-CD2 3.95Å; W389-F444 AromaticContact CD1-CG 3.91Å; W389-F444 HydrophobicContact CG-CB 3.97Å; W389-F444 HydrophobicContact CG-CG 4.27Å; R390-F444 HydrophobicContact CB-CD1 4.4Å; R390-F444 HydrophobicContact CB-CE1 4Å; R390-F444 VanDerWaalsContact NH2-CE1 3.33Å; H395-F444 PolarHBondContact CE1-O 2.8Å; E440-F444 HydrophobicContact CB-CE1 4.27Å; E440-F444 HydrophobicContact CB-CE2 4.08Å; E440-F444 HydrophobicContact CB-CZ 3.82Å; E440-F444 WeakPolarHBondContact O-CD1 3.49Å; E440-F444 WeakPolarHBondContact O-CD2 3.38Å; E440-F444 WeakPolarHBondContact O-CG 3.4Å; E440-F444 PolarHBondContact O-N 3.36Å; L441-F444 HydrophobicContact CD2-CD2 4.18Å; L441-F444 PolarHBondContact O-N 3.14Å; V442-F444 VanDerWaalsContact C-N 3.33Å; V442-F444 PolarHBondContact O-N 2.87Å; F444-S446 VanDerWaalsContact C-N 3.28Å
445	I	92.3	Very high	78	Confident	133 Å²	133	72.2 Å²	72.2	68%	0.682	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	2.4	175.4	66.8	177.9	0	0	0	113.1	L441 V442 E443 P447	L441-I445 WeakPolarHBondContact O-CG1 3.47Å; L441-I445 PolarHBondContact O-N 3.24Å; L441-I445 VanDerWaalsContact O-N 3.13Å; V442-I445 WeakPolarHBondContact O-CG1 3.42Å; E443-I445 VanDerWaalsContact C-N 3.34Å; E443-I445 PolarHBondContact O-N 2.94Å; I445-P447 VanDerWaalsContact O-CD 3.32Å; I445-P447 WeakPolarHBondContact O-CD 3.19Å
446	S	86.8	Confident	75	Confident	65 Å²	65	69 Å²	69	46%	0.455	40%	0.399	S	S	.	.	S	Bend	trans	-117	78.2	-179.3	-54.9	0	0	0	0	110.2	V442 E443 F444 K448	V442-S446 WeakPolarHBondContact O-CB 3.35Å; V442-S446 PolarHBondContact O-N 2.92Å; V442-S446 PolarHBondContact O-OG 2.84Å; E443-S446 CarbonylContact O-C 3.44Å; E443-S446 PolarHBondContact O-N 2.8Å; E443-S446 VanDerWaalsContact O-N 3.07Å; F444-S446 VanDerWaalsContact C-N 3.28Å; S446-K448 PolarHBondContact O-N 2.8Å
447	P	82	Confident	72.3	Confident	70 Å²	70	70.4 Å²	70.4	46%	0.455	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-55.3	129.8	-177.9	-19.6	28	0	0	0	111.5	I445	I445-P447 VanDerWaalsContact O-CD 3.32Å; I445-P447 WeakPolarHBondContact O-CD 3.19Å
448	K	76.9	Confident	69.5	Low	72 Å²	72	74.9 Å²	74.9	31%	0.313	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-70.5	138.9	178.8	-68.6	174.5	-176.1	165.8	0	110.1	L363 C393 E443 S446	L363-K448 HydrophobicContact CD1-CB 4.07Å; C393-K448 WeakPolarHBondContact CB-O 3.49Å; E443-K448 WeakPolarHBondContact OE1-CE 3.34Å; E443-K448 IonicContact OE1-NZ 3.66Å; E443-K448 PolarHBondContact OE1-NZ 2.85Å; S446-K448 PolarHBondContact O-N 2.8Å
449	T	71.4	Confident	66.5	Low	118 Å²	118	74.3 Å²	74.3	72%	0.724	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-84.4	121.3	170.3	-39.5	0	0	0	0	109.3	K451	T449-K451 PolarHBondContact O-N 2.79Å
450	P	59.9	Low	63.7	Low	51 Å²	51	71.4 Å²	71.4	33%	0.331	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-60.2	125.3	178.1	-20.8	31.5	0	0	0	110.6	L363 I367 C393 L455	L363-P450 HydrophobicContact CD1-CG 4.42Å; I367-P450 HydrophobicContact CD1-CG 4.4Å; I367-P450 HydrophobicContact CG1-CG 4.38Å; C393-P450 HydrophobicContact CB-CG 4.45Å; C393-P450 VanDerWaalsContact SG-CG 3.58Å; P450-L455 HydrophobicContact CB-CD2 4.42Å
451	K	50.7	Low	60.7	Low	137 Å²	137	72.6 Å²	72.6	60%	0.596	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-92	143	174.5	-64.2	179.6	-176.5	173.3	0	111	T449 G453 E454	T449-K451 PolarHBondContact O-N 2.79Å; K451-G453 PolarHBondContact O-N 2.84Å; K451-G453 VanDerWaalsContact O-N 3.1Å; K451-E454 HydrophobicContact CB-CG 4.17Å; K451-E454 PolarHBondContact N-OE2 2.93Å; K451-E454 WeakPolarHBondContact O-CB 3.18Å; K451-E454 PolarHBondContact O-N 2.92Å
452	P	40.3	Very low	58	Low	130 Å²	130	71 Å²	71	84%	0.844	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	118.3	167.6	-18.6	29.7	0	0	0	109.4
453	G	43.7	Very low	55.3	Low	37 Å²	37	70.1 Å²	70.1	38%	0.381	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.8	-8.1	-174.6	0	0	0	0	0	115.8	K451 L455	K451-G453 PolarHBondContact O-N 2.84Å; K451-G453 VanDerWaalsContact O-N 3.1Å; G453-L455 PolarHBondContact O-N 2.94Å
454	E	43	Very low	52.7	Low	57 Å²	57	68.5 Å²	68.5	27%	0.266	41%	0.411	S	S	.	.	S	Bend	trans	-79.5	-3	166	-80.2	172	-180	0	0	113.1	K451 S460	K451-E454 HydrophobicContact CB-CG 4.17Å; K451-E454 PolarHBondContact N-OE2 2.93Å; K451-E454 WeakPolarHBondContact O-CB 3.18Å; K451-E454 PolarHBondContact O-N 2.92Å; E454-S460 VanDerWaalsContact CG-CB 3.41Å
455	L	46	Very low	50.3	Low	82 Å²	82	68.1 Å²	68.1	43%	0.429	41%	0.409	S	S	.	.	S	Bend	trans	-98.9	-4.1	-156.6	-48.9	173	0	0	0	114.5	I367 P450 G453	I367-L455 HydrophobicContact CB-CD2 4.31Å; I367-L455 HydrophobicContact CG2-CD2 3.08Å; I367-L455 HydrophobicContact CG2-CG 4.47Å; P450-L455 HydrophobicContact CB-CD2 4.42Å; G453-L455 PolarHBondContact O-N 2.94Å
456	G	34	Very low	48	Very low	48 Å²	48	65.4 Å²	65.4	50%	0.495	39%	0.39	S	S	.	.	S	Bend	trans	175.2	135.4	178	0	0	0	0	0	111.2
457	G	38.1	Very low	45.9	Very low	47 Å²	47	64.4 Å²	64.4	49%	0.485	38%	0.381	S	S	.	.	S	Bend	trans	56.4	118.1	174	0	0	0	0	0	116.7	I459	G457-I459 WeakPolarHBondContact O-CG1 3.48Å; G457-I459 PolarHBondContact O-N 2.89Å
458	R	38.7	Very low	43.9	Very low	129 Å²	129	61.2 Å²	61.2	49%	0.487	36%	0.36	S	S	.	.	S	Bend	trans	35.6	34.3	151.8	-70	-172.4	-179.1	169.5	0.9	120.7	D357 K361 E471	D357-R458 IonicContact OD2-NH2 2.76Å; K361-R458 VanDerWaalsContact NZ-CA 3.29Å; R458-E471 WeakPolarHBondContact CA-OE1 3.34Å; R458-E471 HydrophobicContact CB-CG 4.17Å; R458-E471 WeakPolarHBondContact O-CB 3.3Å; R458-E471 WeakPolarHBondContact O-CG 3.34Å
459	I	31.8	Very low	42.7	Very low	87 Å²	87	59.8 Å²	59.8	45%	0.446	35%	0.353	S	S	.	.			trans	-143.1	39.3	176.9	-35.3	167.6	0	0	0	115.2	G457	G457-I459 WeakPolarHBondContact O-CG1 3.48Å; G457-I459 PolarHBondContact O-N 2.89Å
460	S	34.8	Very low	41.3	Very low	12 Å²	12	56.1 Å²	56.1	8%	0.084	34%	0.339	C	S	.	.			trans	-140.1	131.7	173.6	63.1	0	0	0	0	114.4	K361 E454 R469	K361-S460 WeakPolarHBondContact CD-OG 3.43Å; K361-S460 WeakPolarHBondContact CE-O 3.5Å; K361-S460 WeakPolarHBondContact CE-OG 3.35Å; K361-S460 VanDerWaalsContact CG-OG 3.31Å; K361-S460 WeakPolarHBondContact CG-OG 3.26Å; E454-S460 VanDerWaalsContact CG-CB 3.41Å; S460-R469 PolarHBondContact O-NH2 2.95Å
461	G	31.9	Very low	40.3	Very low	28 Å²	28	54.4 Å²	54.4	29%	0.289	33%	0.327	S	S	.	.	S	Bend	trans	149.9	168.3	-175.8	0	0	0	0	0	112	R466	G461-R466 WeakPolarHBondContact O-CD 3.17Å; G461-R466 WeakPolarHBondContact O-CG 3.33Å; G461-R466 PolarHBondContact O-NE 2.84Å
462	S	37.3	Very low	39.5	Very low	61 Å²	61	50.8 Å²	50.8	43%	0.427	31%	0.313	S	S	.	.			trans	-59.1	163.9	173.6	87.9	0	0	0	0	111.3	A464 W465 R466	S462-A464 PolarHBondContact O-N 2.83Å; S462-W465 PolarHBondContact O-N 2.8Å; S462-W465 VanDerWaalsContact OG-CD1 3.27Å; S462-R466 PolarHBondContact O-N 2.78Å
463	V	36.3	Very low	39.3	Very low	63 Å²	63	47.2 Å²	47.2	38%	0.382	30%	0.299	S	S	.	.	H	α-helix	trans	-51.9	-44.3	178.7	170.3	0	0	0	0	111.3	W465 R466 V467 M472	V463-W465 PolarHBondContact O-N 2.94Å; V463-R466 PolarHBondContact O-N 2.74Å; V463-V467 HydrophobicContact CG1-CG2 4.3Å; V463-V467 WeakPolarHBondContact O-CB 3.29Å; V463-V467 WeakPolarHBondContact O-CG2 3.42Å; V463-V467 PolarHBondContact O-N 2.8Å; V463-M472 HydrophobicContact CB-CE 4.49Å; V463-M472 HydrophobicContact CB-SD 3.89Å; V463-M472 HydrophobicContact CG1-CE 3.88Å; V463-M472 HydrophobicContact CG1-SD 3.71Å; V463-M472 HydrophobicContact CG2-CE 4.13Å; V463-M472 HydrophobicContact CG2-SD 3.77Å
464	A	36.3	Very low	39.1	Very low	1 Å²	1	49.5 Å²	49.5	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-59.5	-45.5	175.6	0	0	0	0	0	113.6	V214 T221 V223 S462 V467 A468	V214-A464 HydrophobicContact CG1-CB 3.79Å; T221-A464 HydrophobicContact CG2-CB 3.25Å; V223-A464 HydrophobicContact CG2-CB 3.93Å; S462-A464 PolarHBondContact O-N 2.83Å; A464-V467 PolarHBondContact O-N 2.85Å; A464-A468 WeakPolarHBondContact O-CB 3.33Å; A464-A468 PolarHBondContact O-N 2.85Å
465	W	43.5	Very low	38.9	Very low	3 Å²	3	55.2 Å²	55.2	1%	0.011	33%	0.329	C	S	.	.	H	α-helix	trans	-67.7	-38.4	178.7	-79	100.3	0	0	0	112.3	V223 D227 L231 L350 C359 S462 V463 A468 R469	V223-W465 HydrophobicContact CG1-CZ2 4.44Å; D227-W465 HydrophobicContact CB-CH2 3.69Å; D227-W465 HydrophobicContact CB-CZ2 3.67Å; L231-W465 HydrophobicContact CD1-CE3 3.74Å; L231-W465 HydrophobicContact CD1-CZ3 3.64Å; L231-W465 HydrophobicContact CD2-CE3 4.09Å; L231-W465 HydrophobicContact CD2-CZ3 3.69Å; L231-W465 HydrophobicContact CG-CE3 4.2Å; L231-W465 HydrophobicContact CG-CZ3 3.66Å; L350-W465 HydrophobicContact CD1-CH2 3.58Å; L350-W465 HydrophobicContact CD1-CZ2 3.84Å; L350-W465 HydrophobicContact CD1-CZ3 4.49Å; C359-W465 HydrophobicContact CB-CZ3 4.44Å; S462-W465 PolarHBondContact O-N 2.8Å; S462-W465 VanDerWaalsContact OG-CD1 3.27Å; V463-W465 PolarHBondContact O-N 2.94Å; W465-A468 PolarHBondContact O-N 2.57Å; W465-R469 WeakPolarHBondContact O-CG 3.45Å; W465-R469 PolarHBondContact O-N 3.03Å; W465-R469 VanDerWaalsContact O-N 3.13Å
466	R	43.8	Very low	39.2	Very low	75 Å²	75	54.1 Å²	54.1	28%	0.283	32%	0.319	S	S	.	.	H	α-helix	trans	-69.1	-35.3	173.5	-68.8	-174.5	-73.9	168.7	0.7	112.1	G461 S462 V463 G470 E471 M472	G461-R466 WeakPolarHBondContact O-CD 3.17Å; G461-R466 WeakPolarHBondContact O-CG 3.33Å; G461-R466 PolarHBondContact O-NE 2.84Å; S462-R466 PolarHBondContact O-N 2.78Å; V463-R466 PolarHBondContact O-N 2.74Å; R466-G470 PolarHBondContact O-N 2.99Å; R466-E471 HydrophobicContact CB-CB 4.15Å; R466-E471 HydrophobicContact CG-CB 4.49Å; R466-E471 WeakPolarHBondContact O-CA 3.37Å; R466-E471 WeakPolarHBondContact O-CB 3.35Å; R466-E471 PolarHBondContact O-N 3.32Å; R466-M472 HydrophobicContact CB-CB 4.08Å; R466-M472 HydrophobicContact CB-CG 3.58Å; R466-M472 HydrophobicContact CB-SD 3.99Å; R466-M472 HydrophobicContact CG-CG 4.44Å; R466-M472 VanDerWaalsContact CZ-SD 3.54Å; R466-M472 PolarHBondContact O-N 3.21Å
467	V	42.7	Very low	40.1	Very low	45 Å²	45	60.6 Å²	60.6	27%	0.273	33%	0.334	S	S	.	.	H	α-helix	trans	-69	-39.8	173.4	173.5	0	0	0	0	111.1	V214 V463 A464 R469 G470 M472	V214-V467 HydrophobicContact CG2-CB 3.87Å; V214-V467 HydrophobicContact CG2-CG1 3.42Å; V214-V467 VanDerWaalsContact CG2-CG1 3.42Å; V463-V467 HydrophobicContact CG1-CG2 4.3Å; V463-V467 WeakPolarHBondContact O-CB 3.29Å; V463-V467 WeakPolarHBondContact O-CG2 3.42Å; V463-V467 PolarHBondContact O-N 2.8Å; A464-V467 PolarHBondContact O-N 2.85Å; V467-R469 VanDerWaalsContact C-N 3.31Å; V467-R469 PolarHBondContact O-N 3.43Å; V467-G470 PolarHBondContact O-N 2.88Å; V467-G470 VanDerWaalsContact O-N 3.14Å; V467-M472 HydrophobicContact CG2-CB 4.06Å
468	A	41.8	Very low	41.9	Very low	2 Å²	2	62.9 Å²	62.9	2%	0.017	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-37.4	177.4	0	0	0	0	0	113.4	K210 F228 L231 A464 W465	K210-A468 WeakPolarHBondContact CD-O 3.3Å; K210-A468 PolarHBondContact NZ-O 2.76Å; F228-A468 HydrophobicContact CD1-CB 3.62Å; F228-A468 HydrophobicContact CE1-CB 3.15Å; F228-A468 HydrophobicContact CZ-CB 3.93Å; L231-A468 HydrophobicContact CD1-CB 3.32Å; A464-A468 WeakPolarHBondContact O-CB 3.33Å; A464-A468 PolarHBondContact O-N 2.85Å; W465-A468 PolarHBondContact O-N 2.57Å
469	R	49.8	Very low	43.9	Very low	42 Å²	42	58.4 Å²	58.4	16%	0.158	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	1.4	176.5	-65.3	-171.9	-54.8	-98.8	-14	114.2	L231 S460 W465 V467 E471	L231-R469 HydrophobicContact CD1-CG 4.2Å; L231-R469 HydrophobicContact CD2-CG 4.03Å; S460-R469 PolarHBondContact O-NH2 2.95Å; W465-R469 WeakPolarHBondContact O-CG 3.45Å; W465-R469 PolarHBondContact O-N 3.03Å; W465-R469 VanDerWaalsContact O-N 3.13Å; V467-R469 VanDerWaalsContact C-N 3.31Å; V467-R469 PolarHBondContact O-N 3.43Å; R469-E471 VanDerWaalsContact C-N 3.28Å; R469-E471 HydrophobicContact CB-CG 3.65Å; R469-E471 IonicContact CZ-OE1 3.35Å; R469-E471 IonicContact CZ-OE2 3.06Å; R469-E471 IonicContact NE-OE1 2.62Å; R469-E471 PolarHBondContact NE-OE1 2.62Å; R469-E471 IonicContact NE-OE2 3.2Å; R469-E471 PolarHBondContact NE-OE2 3.16Å; R469-E471 VanDerWaalsContact NE-OE2 3.15Å; R469-E471 IonicContact NH2-OE1 3.56Å; R469-E471 IonicContact NH2-OE2 2.62Å; R469-E471 PolarHBondContact NH2-OE2 3.11Å; R469-E471 PolarHBondContact O-N 3.36Å
470	G	42.7	Very low	46.5	Very low	42 Å²	42	56 Å²	56	43%	0.433	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	17	-178.9	0	0	0	0	0	115.1	R466 V467	R466-G470 PolarHBondContact O-N 2.99Å; V467-G470 PolarHBondContact O-N 2.88Å; V467-G470 VanDerWaalsContact O-N 3.14Å
471	E	38.7	Very low	49.1	Very low	15 Å²	15	55.7 Å²	55.7	7%	0.07	31%	0.307	C	S	.	.			trans	-88.6	-35	-171.5	-56.5	177.9	166.5	0	0	113	K361 R458 R466 R469 G473	K361-E471 IonicContact NZ-OE1 3.56Å; K361-E471 PolarHBondContact NZ-OE1 2.89Å; R458-E471 WeakPolarHBondContact CA-OE1 3.34Å; R458-E471 HydrophobicContact CB-CG 4.17Å; R458-E471 WeakPolarHBondContact O-CB 3.3Å; R458-E471 WeakPolarHBondContact O-CG 3.34Å; R466-E471 HydrophobicContact CB-CB 4.15Å; R466-E471 HydrophobicContact CG-CB 4.49Å; R466-E471 WeakPolarHBondContact O-CA 3.37Å; R466-E471 WeakPolarHBondContact O-CB 3.35Å; R466-E471 PolarHBondContact O-N 3.32Å; R469-E471 VanDerWaalsContact C-N 3.28Å; R469-E471 HydrophobicContact CB-CG 3.65Å; R469-E471 IonicContact CZ-OE1 3.35Å; R469-E471 IonicContact CZ-OE2 3.06Å; R469-E471 IonicContact NE-OE1 2.62Å; R469-E471 PolarHBondContact NE-OE1 2.62Å; R469-E471 IonicContact NE-OE2 3.2Å; R469-E471 PolarHBondContact NE-OE2 3.16Å; R469-E471 VanDerWaalsContact NE-OE2 3.15Å; R469-E471 IonicContact NH2-OE1 3.56Å; R469-E471 IonicContact NH2-OE2 2.62Å; R469-E471 PolarHBondContact NH2-OE2 3.11Å; R469-E471 PolarHBondContact O-N 3.36Å; E471-G473 PolarHBondContact O-N 3.46Å
472	M	34	Very low	51.8	Low	61 Å²	61	57.9 Å²	57.9	30%	0.3	31%	0.311	S	S	.	.	S	Bend	trans	-79.3	116.9	167.7	-88.1	-176.2	71.6	0	0	107.9	V463 R466 V467 L474	V463-M472 HydrophobicContact CB-CE 4.49Å; V463-M472 HydrophobicContact CB-SD 3.89Å; V463-M472 HydrophobicContact CG1-CE 3.88Å; V463-M472 HydrophobicContact CG1-SD 3.71Å; V463-M472 HydrophobicContact CG2-CE 4.13Å; V463-M472 HydrophobicContact CG2-SD 3.77Å; R466-M472 HydrophobicContact CB-CB 4.08Å; R466-M472 HydrophobicContact CB-CG 3.58Å; R466-M472 HydrophobicContact CB-SD 3.99Å; R466-M472 HydrophobicContact CG-CG 4.44Å; R466-M472 VanDerWaalsContact CZ-SD 3.54Å; R466-M472 PolarHBondContact O-N 3.21Å; V467-M472 HydrophobicContact CG2-CB 4.06Å; M472-L474 PolarHBondContact O-N 2.87Å
473	G	36.9	Very low	54.4	Low	54 Å²	54	55.2 Å²	55.2	56%	0.557	29%	0.292	S	S	*	.			trans	-42.3	114	172	0	0	0	0	0	107.2	E471 Q475	E471-G473 PolarHBondContact O-N 3.46Å; G473-Q475 PolarHBondContact O-N 3.02Å
474	L	38.5	Very low	56.9	Low	85 Å²	85	53.4 Å²	53.4	45%	0.445	28%	0.282	S	S	.	.			trans	-46	146.8	176.7	-69.2	98.6	0	0	0	107	M472 R476	M472-L474 PolarHBondContact O-N 2.87Å; L474-R476 VanDerWaalsContact CB-CA 3.41Å; L474-R476 HydrophobicContact CB-CB 3.76Å; L474-R476 HydrophobicContact CB-CG 3.51Å; L474-R476 HydrophobicContact CD1-CG 3.78Å; L474-R476 HydrophobicContact CD2-CG 4.28Å; L474-R476 HydrophobicContact CG-CG 4.03Å; L474-R476 PolarHBondContact O-N 3.2Å
475	Q	39.3	Very low	59.2	Low	177 Å²	177	59.1 Å²	59.1	83%	0.827	31%	0.309	S	S	*	.			trans	-59.3	75.3	134.2	-78.7	-87	-24.4	0	0	104.9	L217 G473 K477	L217-Q475 HydrophobicContact CD2-CB 4.35Å; L217-Q475 HydrophobicContact CD2-CG 4.37Å; G473-Q475 PolarHBondContact O-N 3.02Å; Q475-K477 PolarHBondContact O-N 2.69Å
476	R	52.6	Low	61.4	Low	59 Å²	59	62.4 Å²	62.4	22%	0.223	33%	0.327	C	S	.	.			trans	-67.2	127.1	-175.5	-115.5	130	-169.5	-173.4	6.1	102	L474 E478 M524	L474-R476 VanDerWaalsContact CB-CA 3.41Å; L474-R476 HydrophobicContact CB-CB 3.76Å; L474-R476 HydrophobicContact CB-CG 3.51Å; L474-R476 HydrophobicContact CD1-CG 3.78Å; L474-R476 HydrophobicContact CD2-CG 4.28Å; L474-R476 HydrophobicContact CG-CG 4.03Å; L474-R476 PolarHBondContact O-N 3.2Å; R476-E478 PolarHBondContact O-N 3.08Å; R476-M524 VanDerWaalsContact CZ-SD 3.57Å; R476-M524 VanDerWaalsContact NE-CE 3.26Å; R476-M524 PolarHBondContact NH1-SD 3Å
477	K	53.7	Low	63.8	Low	185 Å²	185	58.8 Å²	58.8	80%	0.804	31%	0.313	S	S	*	.			trans	-57.5	110.4	170.9	-158.3	178.4	-174.1	-173.6	0	104.8	Q475 T479	Q475-K477 PolarHBondContact O-N 2.69Å; K477-T479 VanDerWaalsContact C-N 3.35Å; K477-T479 PolarHBondContact O-N 3.01Å; K477-T479 PolarHBondContact O-OG1 2.92Å
478	E	74.8	Confident	66.1	Low	95 Å²	95	59.1 Å²	59.1	44%	0.444	31%	0.311	S	S	.	.			trans	-61.2	104.9	176.8	-57.1	-174.2	143.4	0	0	105.5	R476 S480 W522 K523	R476-E478 PolarHBondContact O-N 3.08Å; E478-S480 PolarHBondContact O-N 2.77Å; E478-W522 VanDerWaalsContact C-CZ3 3.46Å; E478-W522 WeakPolarHBondContact CA-O 3.39Å; E478-W522 HydrophobicContact CB-CD2 3.79Å; E478-W522 HydrophobicContact CB-CE3 3.36Å; E478-W522 HydrophobicContact CB-CH2 3.5Å; E478-W522 HydrophobicContact CB-CZ2 3.95Å; E478-W522 HydrophobicContact CB-CZ3 3.21Å; E478-W522 WeakPolarHBondContact CB-O 3.49Å; E478-W522 HydrophobicContact CG-CH2 4.37Å; E478-W522 HydrophobicContact CG-CZ2 4.5Å; E478-W522 HydrophobicContact CG-CZ3 4.47Å; E478-W522 WeakPolarHBondContact O-CZ3 3.47Å; E478-W522 WeakPolarHBondContact OE2-CH2 3.23Å; E478-W522 WeakPolarHBondContact OE2-CZ2 3.16Å; E478-K523 WeakPolarHBondContact OE1-CE 3.4Å; E478-K523 IonicContact OE1-NZ 3.11Å
479	T	80.9	Confident	68.6	Low	34 Å²	34	65.6 Å²	65.6	21%	0.209	34%	0.344	C	S	.	.			trans	-84.5	114.7	-173.9	-65.7	0	0	0	0	108.8	K477 F481 N519 V521	K477-T479 VanDerWaalsContact C-N 3.35Å; K477-T479 PolarHBondContact O-N 3.01Å; K477-T479 PolarHBondContact O-OG1 2.92Å; T479-F481 HydrophobicContact CG2-CZ 4.48Å; T479-N519 PolarHBondContact OG1-O 2.71Å; T479-V521 PolarHBondContact N-O 3.45Å
480	S	85.9	Confident	70.7	Confident	36 Å²	36	66.9 Å²	66.9	25%	0.252	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.7	170.4	-169.2	0	0	0	0	109.2	E478 I482	E478-S480 PolarHBondContact O-N 2.77Å; S480-I482 PolarHBondContact O-N 3Å
481	F	89.8	Confident	73.3	Confident	6 Å²	6	67.8 Å²	67.8	3%	0.026	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	112.5	174.4	-68.2	-82.9	0	0	0	109.8	T479 L493 L495 I514 G520 K554 F555 E556	T479-F481 HydrophobicContact CG2-CZ 4.48Å; F481-L493 HydrophobicContact CB-CD1 4.35Å; F481-L495 HydrophobicContact CD1-CD2 4.24Å; F481-L495 HydrophobicContact CD2-CD2 4.16Å; F481-L495 HydrophobicContact CE1-CD1 4.08Å; F481-L495 HydrophobicContact CE1-CD2 3.79Å; F481-L495 HydrophobicContact CE2-CD2 3.7Å; F481-L495 HydrophobicContact CG-CD2 4.41Å; F481-L495 HydrophobicContact CZ-CD1 4.41Å; F481-L495 HydrophobicContact CZ-CD2 3.5Å; F481-L495 VanDerWaalsContact CZ-CD2 3.5Å; F481-I514 HydrophobicContact CE1-CD1 3.92Å; F481-I514 HydrophobicContact CZ-CD1 4.47Å; F481-G520 VanDerWaalsContact CE2-O 3.26Å; F481-G520 WeakPolarHBondContact CE2-O 3.47Å; F481-K554 PolarHBondContact N-O 2.9Å; F481-F555 HydrophobicContact CB-CD1 3.57Å; F481-F555 HydrophobicContact CB-CE1 3.85Å; F481-F555 HydrophobicContact CB-CG 4.4Å; F481-F555 HydrophobicContact CD2-CD1 4.15Å; F481-F555 AromaticContact CD2-CE1 3.69Å; F481-F555 HydrophobicContact CD2-CE1 3.69Å; F481-F555 HydrophobicContact CD2-CZ 4.02Å; F481-F555 HydrophobicContact CE2-CE1 4.48Å; F481-F555 HydrophobicContact CG-CD1 4.15Å; F481-F555 AromaticContact CG-CE1 3.9Å; F481-F555 HydrophobicContact CG-CE1 3.9Å; F481-F555 WeakPolarHBondContact O-CA 3.39Å; F481-E556 PolarHBondContact O-N 3.16Å
482	I	88.6	Confident	76.1	Confident	74 Å²	74	70.3 Å²	70.3	38%	0.379	36%	0.363	S	S	.	.			trans	-105.7	134.7	174.6	-58.3	173	0	0	0	108.6	S480 S484 R506 E556 V560	S480-I482 PolarHBondContact O-N 3Å; I482-S484 PolarHBondContact O-N 2.87Å; I482-R506 PolarHBondContact O-NH2 2.88Å; I482-E556 WeakPolarHBondContact CA-O 3.27Å; I482-V560 HydrophobicContact CG2-CG1 3.65Å
483	P	91.6	Very high	79.1	Confident	6 Å²	6	67.5 Å²	67.5	4%	0.039	35%	0.349	C	S	.	.			trans	-53.2	130.1	179	-28	34.5	0	0	0	113.5	E487 K488 E556 C557 V560 L562 F651	P483-E487 VanDerWaalsContact CA-OE2 3.23Å; P483-E487 WeakPolarHBondContact CA-OE2 3.12Å; P483-E487 HydrophobicContact CB-CB 4.09Å; P483-K488 HydrophobicContact CB-CG 4.43Å; P483-E556 WeakPolarHBondContact CD-O 3.23Å; P483-C557 HydrophobicContact CG-CB 3.83Å; P483-V560 HydrophobicContact CB-CG2 4.14Å; P483-V560 HydrophobicContact CG-CG2 4Å; P483-L562 HydrophobicContact CB-CD1 4.13Å; P483-L562 HydrophobicContact CG-CD1 4.16Å; P483-F651 HydrophobicContact CB-CE2 4.35Å; P483-F651 HydrophobicContact CG-CE1 4.35Å; P483-F651 HydrophobicContact CG-CE2 3.81Å; P483-F651 HydrophobicContact CG-CZ 3.7Å
484	S	88.3	Confident	82	Confident	24 Å²	24	66.3 Å²	66.3	17%	0.168	33%	0.329	C	S	.	.			trans	-74.1	168.7	173.1	78.8	0	0	0	0	111.3	I482 N486 E487 K488 N509	I482-S484 PolarHBondContact O-N 2.87Å; S484-N486 PolarHBondContact O-N 2.85Å; S484-N486 PolarHBondContact OG-N 3Å; S484-E487 PolarHBondContact N-OE2 3.2Å; S484-E487 CarbonylContact O-C 3.46Å; S484-E487 PolarHBondContact O-N 3.34Å; S484-E487 WeakPolarHBondContact OG-CG 3.41Å; S484-K488 WeakPolarHBondContact O-CG 3.47Å; S484-K488 PolarHBondContact O-N 2.94Å; S484-N509 PolarHBondContact OG-OD1 2.87Å
485	E	85.7	Confident	84.9	Confident	122 Å²	122	62.3 Å²	62.3	57%	0.57	31%	0.308	S	S	*	.	H	α-helix	trans	-55.4	-38.4	175.4	-64.3	-53.7	128.8	0	0	112.6	E487 K488 I489	E485-E487 VanDerWaalsContact C-N 3.28Å; E485-E487 PolarHBondContact O-N 3.07Å; E485-K488 PolarHBondContact O-N 3.37Å; E485-K488 VanDerWaalsContact OE1-CE 3.24Å; E485-K488 WeakPolarHBondContact OE1-CE 3.3Å; E485-K488 IonicContact OE1-NZ 3.41Å; E485-K488 PolarHBondContact OE1-NZ 3.4Å; E485-K488 IonicContact OE2-NZ 2.72Å; E485-I489 WeakPolarHBondContact O-CG1 3.34Å; E485-I489 PolarHBondContact O-N 3.2Å; E485-I489 VanDerWaalsContact O-N 3.15Å
486	N	89.3	Confident	87.6	Confident	71 Å²	71	54.1 Å²	54.1	38%	0.38	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-39.7	175.4	-65.9	-29.8	0	0	0	111.6	S484 I489 S490 N509	S484-N486 PolarHBondContact O-N 2.85Å; S484-N486 PolarHBondContact OG-N 3Å; N486-I489 PolarHBondContact O-N 3.38Å; N486-S490 WeakPolarHBondContact O-CB 3.2Å; N486-S490 PolarHBondContact O-N 3.13Å; N486-S490 PolarHBondContact O-OG 3.41Å; N486-N509 PolarHBondContact ND2-OD1 3.48Å; N486-N509 VanDerWaalsContact ND2-OD1 3.12Å
487	E	93.8	Very high	89.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-78.4	-26.9	-177.7	-61.8	172.3	160.6	0	0	112.4	P483 S484 E485 I489 S490 K491 Q492 R506 S508	P483-E487 VanDerWaalsContact CA-OE2 3.23Å; P483-E487 WeakPolarHBondContact CA-OE2 3.12Å; P483-E487 HydrophobicContact CB-CB 4.09Å; S484-E487 PolarHBondContact N-OE2 3.2Å; S484-E487 CarbonylContact O-C 3.46Å; S484-E487 PolarHBondContact O-N 3.34Å; S484-E487 WeakPolarHBondContact OG-CG 3.41Å; E485-E487 VanDerWaalsContact C-N 3.28Å; E485-E487 PolarHBondContact O-N 3.07Å; E487-I489 VanDerWaalsContact C-N 3.33Å; E487-S490 WeakPolarHBondContact CA-OG 3.37Å; E487-K491 VanDerWaalsContact O-CA 3.25Å; E487-K491 WeakPolarHBondContact O-CA 3.24Å; E487-K491 PolarHBondContact O-N 3.45Å; E487-Q492 WeakPolarHBondContact CB-O 3.35Å; E487-Q492 WeakPolarHBondContact CG-O 3.13Å; E487-Q492 PolarHBondContact O-N 3.3Å; E487-R506 IonicContact OE1-CZ 2.71Å; E487-R506 IonicContact OE1-NE 3.74Å; E487-R506 PolarHBondContact OE1-NE 3.26Å; E487-R506 IonicContact OE1-NH2 3.65Å; E487-R506 IonicContact OE2-CZ 3.53Å; E487-R506 IonicContact OE2-NE 2.7Å; E487-R506 PolarHBondContact OE2-NE 2.79Å; E487-R506 IonicContact OE2-NH2 3.45Å; E487-R506 PolarHBondContact OE2-NH2 3.34Å; E487-S508 WeakPolarHBondContact OE1-CB 3.47Å; E487-S508 PolarHBondContact OE1-OG 3.24Å
488	K	92.1	Very high	91.9	Very high	51 Å²	51	42.7 Å²	42.7	22%	0.222	22%	0.222	C	C	.	.	H	α-helix	trans	-66.2	-37.8	168.9	-66.1	178.3	-160.7	-174.9	0	111.8	P483 S484 E485 K491 V560 L562	P483-K488 HydrophobicContact CB-CG 4.43Å; S484-K488 WeakPolarHBondContact O-CG 3.47Å; S484-K488 PolarHBondContact O-N 2.94Å; E485-K488 PolarHBondContact O-N 3.37Å; E485-K488 VanDerWaalsContact OE1-CE 3.24Å; E485-K488 WeakPolarHBondContact OE1-CE 3.3Å; E485-K488 IonicContact OE1-NZ 3.41Å; E485-K488 PolarHBondContact OE1-NZ 3.4Å; E485-K488 IonicContact OE2-NZ 2.72Å; K488-K491 WeakPolarHBondContact O-CD 3.37Å; K488-K491 WeakPolarHBondContact O-CE 3.25Å; K488-K491 PolarHBondContact O-NZ 3.12Å; K488-V560 HydrophobicContact CD-CB 4.26Å; K488-V560 VanDerWaalsContact CE-CG1 3.49Å; K488-L562 HydrophobicContact CG-CD1 4.18Å
489	I	92.6	Very high	92.9	Very high	139 Å²	139	38.2 Å²	38.2	71%	0.713	20%	0.201	S	C	*	.	H	α-helix	trans	-74.5	-48.6	177.6	-64.3	165	0	0	0	110.3	E485 N486 E487 K491	E485-I489 WeakPolarHBondContact O-CG1 3.34Å; E485-I489 PolarHBondContact O-N 3.2Å; E485-I489 VanDerWaalsContact O-N 3.15Å; N486-I489 PolarHBondContact O-N 3.38Å; E487-I489 VanDerWaalsContact C-N 3.33Å; I489-K491 PolarHBondContact O-N 2.92Å
490	S	95.8	Very high	93.5	Very high	69 Å²	69	37.4 Å²	37.4	48%	0.483	20%	0.196	S	C	.	.	H	α-helix	trans	-75.7	-12.6	-178.6	71	0	0	0	0	113.9	N486 E487 Q492	N486-S490 WeakPolarHBondContact O-CB 3.2Å; N486-S490 PolarHBondContact O-N 3.13Å; N486-S490 PolarHBondContact O-OG 3.41Å; E487-S490 WeakPolarHBondContact CA-OG 3.37Å; S490-Q492 PolarHBondContact O-N 3.07Å; S490-Q492 PolarHBondContact OG-N 3.23Å; S490-Q492 PolarHBondContact OG-O 3.48Å
491	K	97.3	Very high	93.9	Very high	61 Å²	61	39.1 Å²	39.1	27%	0.265	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	31.8	-173.6	-58.6	-63.1	-175.5	-165.8	0	113.1	E487 K488 I489 L562 K650 F651 D653	E487-K491 VanDerWaalsContact O-CA 3.25Å; E487-K491 WeakPolarHBondContact O-CA 3.24Å; E487-K491 PolarHBondContact O-N 3.45Å; K488-K491 WeakPolarHBondContact O-CD 3.37Å; K488-K491 WeakPolarHBondContact O-CE 3.25Å; K488-K491 PolarHBondContact O-NZ 3.12Å; I489-K491 PolarHBondContact O-N 2.92Å; K491-L562 HydrophobicContact CD-CD2 3.98Å; K491-K650 WeakPolarHBondContact O-CA 3.26Å; K491-F651 HydrophobicContact CB-CB 4.47Å; K491-F651 PolarHBondContact O-N 2.99Å; K491-D653 IonicContact NZ-OD1 3.78Å; K491-D653 PolarHBondContact NZ-OD1 3.44Å; K491-D653 IonicContact NZ-OD2 3.03Å
492	Q	97.1	Very high	94.1	Very high	68 Å²	68	40.5 Å²	40.5	32%	0.318	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	131.9	-178.7	-174	177.9	-51.3	0	0	112.2	E487 S490 S508 I648 I649	E487-Q492 WeakPolarHBondContact CB-O 3.35Å; E487-Q492 WeakPolarHBondContact CG-O 3.13Å; E487-Q492 PolarHBondContact O-N 3.3Å; S490-Q492 PolarHBondContact O-N 3.07Å; S490-Q492 PolarHBondContact OG-N 3.23Å; S490-Q492 PolarHBondContact OG-O 3.48Å; Q492-S508 WeakPolarHBondContact O-CB 3.43Å; Q492-I648 HydrophobicContact CG-CG2 4.21Å; Q492-I649 CarbonylContact C-O 3.52Å; Q492-I649 VanDerWaalsContact CA-O 3.32Å; Q492-I649 WeakPolarHBondContact CA-O 3.48Å
493	L	97.3	Very high	94.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.7	165.2	-178.3	158.8	0	0	0	109	F481 L495 F555 I648 I649 F651	F481-L493 HydrophobicContact CB-CD1 4.35Å; L493-L495 HydrophobicContact CD2-CB 4.14Å; L493-F555 HydrophobicContact CD1-CD1 4.3Å; L493-F555 HydrophobicContact CD2-CD1 4Å; L493-F555 HydrophobicContact CD2-CE1 3.91Å; L493-I648 CarbonylContact O-C 3.58Å; L493-I648 WeakPolarHBondContact O-CA 3.35Å; L493-I649 PolarHBondContact N-O 3.16Å; L493-I649 PolarHBondContact O-N 2.77Å; L493-F651 HydrophobicContact CB-CE2 3.65Å; L493-F651 HydrophobicContact CB-CZ 3.97Å
494	H	98	Very high	94.6	Very high	29 Å²	29	41.4 Å²	41.4	13%	0.134	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	111.8	-179	-176.7	-175.4	0	0	0	109.5	R506 V507 S508 E646 I647	H494-R506 CarbonylContact O-C 3.45Å; H494-V507 HydrophobicContact CB-CB 4.16Å; H494-V507 PolarHBondContact O-N 3.05Å; H494-S508 PolarHBondContact N-OG 2.95Å; H494-S508 PolarHBondContact O-N 3.32Å; H494-S508 PolarHBondContact O-OG 3.2Å; H494-E646 IonicContact CD2-OE1 2.81Å; H494-E646 IonicContact CE1-OE1 3.85Å; H494-E646 PolarHBondContact CE1-OE1 3.17Å; H494-E646 IonicContact NE2-OE1 3.42Å; H494-E646 PolarHBondContact NE2-OE1 3.3Å; H494-I647 WeakPolarHBondContact CA-O 3.46Å
495	L	97.7	Very high	95	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.6	-176.3	-175.2	72	0	0	0	110.2	F481 L493 Y504 R506 F555 E646 I647	F481-L495 HydrophobicContact CD1-CD2 4.24Å; F481-L495 HydrophobicContact CD2-CD2 4.16Å; F481-L495 HydrophobicContact CE1-CD1 4.08Å; F481-L495 HydrophobicContact CE1-CD2 3.79Å; F481-L495 HydrophobicContact CE2-CD2 3.7Å; F481-L495 HydrophobicContact CG-CD2 4.41Å; F481-L495 HydrophobicContact CZ-CD1 4.41Å; F481-L495 HydrophobicContact CZ-CD2 3.5Å; F481-L495 VanDerWaalsContact CZ-CD2 3.5Å; L493-L495 HydrophobicContact CD2-CB 4.14Å; L495-Y504 HydrophobicContact CD1-CD1 4.42Å; L495-Y504 HydrophobicContact CD2-CD1 4.22Å; L495-Y504 HydrophobicContact CG-CD1 4.34Å; L495-R506 HydrophobicContact CD1-CB 4.04Å; L495-R506 HydrophobicContact CD1-CG 4.33Å; L495-F555 HydrophobicContact CD2-CE1 4.04Å; L495-F555 HydrophobicContact CD2-CZ 4.13Å; L495-E646 CarbonylContact O-C 3.46Å; L495-E646 WeakPolarHBondContact O-CA 3.13Å; L495-I647 PolarHBondContact N-O 3.15Å; L495-I647 PolarHBondContact O-N 3.38Å
496	C	97.8	Very high	95.5	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.027	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	151	172.7	-62.1	0	0	0	0	110.4	Y504 V505 N643 L645	C496-Y504 CarbonylContact O-C 3.46Å; C496-Y504 WeakPolarHBondContact O-CA 3.43Å; C496-V505 PolarHBondContact N-O 3.49Å; C496-V505 PolarHBondContact O-N 2.91Å; C496-N643 HydrophobicContact CB-CB 4.11Å; C496-L645 CarbonylContact C-O 3.48Å; C496-L645 VanDerWaalsContact CA-O 3.25Å; C496-L645 WeakPolarHBondContact CA-O 3.47Å
497	Y	97.8	Very high	95.8	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.8	167.8	174.8	-103.2	0	0	0	110.4	I499 D502 R503 Y504 W517 F633 C644 L645	Y497-I499 HydrophobicContact CE1-CB 3.94Å; Y497-I499 HydrophobicContact CE1-CD1 3.92Å; Y497-I499 VanDerWaalsContact OH-CD1 3.3Å; Y497-I499 WeakPolarHBondContact OH-CD1 3.24Å; Y497-D502 PolarHBondContact OH-OD1 3.29Å; Y497-R503 WeakPolarHBondContact CD2-O 3.46Å; Y497-Y504 AromaticContact CD2-CD1 3.78Å; Y497-Y504 HydrophobicContact CD2-CD1 3.78Å; Y497-Y504 AromaticContact CD2-CD2 3.82Å; Y497-Y504 HydrophobicContact CD2-CD2 3.82Å; Y497-Y504 AromaticContact CD2-CE1 3.68Å; Y497-Y504 HydrophobicContact CD2-CE1 3.68Å; Y497-Y504 AromaticContact CD2-CE2 3.74Å; Y497-Y504 HydrophobicContact CD2-CE2 3.74Å; Y497-Y504 AromaticContact CD2-CG 3.83Å; Y497-Y504 HydrophobicContact CD2-CG 3.83Å; Y497-Y504 AromaticContact CD2-CZ 3.65Å; Y497-Y504 HydrophobicContact CE2-CD2 4.4Å; Y497-Y504 HydrophobicContact CE2-CE2 4.11Å; Y497-Y504 HydrophobicContact CG-CD1 4.04Å; Y497-Y504 AromaticContact CG-CE1 3.83Å; Y497-Y504 HydrophobicContact CG-CE1 3.83Å; Y497-W517 HydrophobicContact CE1-CB 4.39Å; Y497-W517 HydrophobicContact CE2-CB 3.75Å; Y497-W517 WeakPolarHBondContact OH-CB 3.4Å; Y497-F633 HydrophobicContact CD1-CD2 4.19Å; Y497-F633 HydrophobicContact CD1-CE2 4.25Å; Y497-F633 HydrophobicContact CE1-CD2 4.02Å; Y497-F633 HydrophobicContact CE1-CE2 4.38Å; Y497-C644 VanDerWaalsContact CD1-SG 3.56Å; Y497-C644 PolarHBondContact O-N 3.42Å; Y497-C644 VanDerWaalsContact O-N 3.15Å; Y497-C644 PolarHBondContact O-SG 2.73Å; Y497-L645 PolarHBondContact N-O 2.81Å; Y497-L645 PolarHBondContact O-N 3.38Å
498	N	96.9	Very high	95.8	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.7	177	-178	-67.1	0	0	0	109.3	V500 K501 D502 R503 H640 E642	N498-V500 PolarHBondContact OD1-N 3.24Å; N498-K501 HydrophobicContact CB-CB 4.42Å; N498-K501 WeakPolarHBondContact OD1-CB 3.26Å; N498-K501 PolarHBondContact OD1-N 3.32Å; N498-D502 VanDerWaalsContact O-CA 3.27Å; N498-D502 WeakPolarHBondContact O-CA 3.43Å; N498-D502 PolarHBondContact O-N 3.22Å; N498-R503 PolarHBondContact N-O 3.47Å; N498-R503 PolarHBondContact O-N 3.27Å; N498-H640 PolarHBondContact ND2-O 3.02Å; N498-E642 PolarHBondContact ND2-O 3.39Å
499	I	96.8	Very high	95.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-29.9	-175.8	-173	62.1	0	0	0	112.9	Y497 D502 R529 V538 L540 F633 Q635 C644	Y497-I499 HydrophobicContact CE1-CB 3.94Å; Y497-I499 HydrophobicContact CE1-CD1 3.92Å; Y497-I499 VanDerWaalsContact OH-CD1 3.3Å; Y497-I499 WeakPolarHBondContact OH-CD1 3.24Å; I499-D502 PolarHBondContact O-N 3.48Å; I499-R529 HydrophobicContact CD1-CG 3.99Å; I499-R529 VanDerWaalsContact O-CZ 3.25Å; I499-R529 PolarHBondContact O-NE 3.02Å; I499-R529 PolarHBondContact O-NH2 3.29Å; I499-V538 HydrophobicContact CD1-CG2 4.45Å; I499-V538 HydrophobicContact CG1-CG1 4.14Å; I499-V538 HydrophobicContact CG1-CG2 3.94Å; I499-V538 HydrophobicContact CG2-CG1 4.1Å; I499-L540 HydrophobicContact CD1-CD2 3.76Å; I499-L540 HydrophobicContact CD1-CG 3.93Å; I499-F633 HydrophobicContact CB-CB 3.92Å; I499-F633 HydrophobicContact CD1-CB 4.49Å; I499-F633 HydrophobicContact CG1-CB 4.08Å; I499-F633 HydrophobicContact CG2-CB 4.1Å; I499-F633 WeakPolarHBondContact CG2-O 3.35Å; I499-Q635 HydrophobicContact CG2-CB 3.67Å; I499-Q635 HydrophobicContact CG2-CG 4.49Å; I499-C644 HydrophobicContact CG2-CB 4.29Å; I499-C644 PolarHBondContact N-SG 3.46Å
500	V	93.6	Very high	95.6	Very high	18 Å²	18	36.4 Å²	36.4	11%	0.109	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-50.8	-178.9	178.9	0	0	0	0	110.8	N498 D502 R529 V538 Q635 S636 L637 D639 H640	N498-V500 PolarHBondContact OD1-N 3.24Å; V500-D502 PolarHBondContact O-N 2.89Å; V500-R529 PolarHBondContact O-NH2 3.18Å; V500-R529 VanDerWaalsContact O-NH2 3.08Å; V500-V538 HydrophobicContact CB-CG1 4.49Å; V500-V538 HydrophobicContact CG2-CG1 3.73Å; V500-Q635 HydrophobicContact CG2-CB 4.22Å; V500-Q635 HydrophobicContact CG2-CG 3.99Å; V500-S636 WeakPolarHBondContact CG2-O 3.37Å; V500-L637 WeakPolarHBondContact CG1-O 3.43Å; V500-D639 WeakPolarHBondContact CG2-O 3.19Å; V500-H640 VanDerWaalsContact CG1-ND1 3.34Å; V500-H640 WeakPolarHBondContact CG1-ND1 3.33Å
501	K	93.1	Very high	95.4	Very high	72 Å²	72	37.7 Å²	37.7	31%	0.313	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.2	174.7	-70.1	165.5	169.3	158.8	0	112.8	N498 R503 H640 E641	N498-K501 HydrophobicContact CB-CB 4.42Å; N498-K501 WeakPolarHBondContact OD1-CB 3.26Å; N498-K501 PolarHBondContact OD1-N 3.32Å; K501-R503 HydrophobicContact CB-CG 3.97Å; K501-R503 PolarHBondContact O-N 3.27Å; K501-H640 WeakPolarHBondContact CD-O 3.31Å; K501-H640 WeakPolarHBondContact CE-O 3.26Å; K501-H640 PolarHBondContact NZ-O 3.35Å; K501-E641 IonicContact NZ-OE1 3.84Å; K501-E641 PolarHBondContact NZ-OE1 3.17Å; K501-E641 IonicContact NZ-OE2 3.65Å
502	D	95.4	Very high	95	Very high	35 Å²	35	39.4 Å²	39.4	19%	0.187	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	56.5	-175	-165.3	19.2	0	0	0	113.4	Y497 N498 I499 V500 G516 W517	Y497-D502 PolarHBondContact OH-OD1 3.29Å; N498-D502 VanDerWaalsContact O-CA 3.27Å; N498-D502 WeakPolarHBondContact O-CA 3.43Å; N498-D502 PolarHBondContact O-N 3.22Å; I499-D502 PolarHBondContact O-N 3.48Å; V500-D502 PolarHBondContact O-N 2.89Å; D502-G516 WeakPolarHBondContact O-CA 3.33Å; D502-G516 PolarHBondContact O-N 2.92Å; D502-W517 PolarHBondContact OD1-N 3.44Å
503	R	94.9	Very high	94.7	Very high	98 Å²	98	40 Å²	40	37%	0.37	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	150.4	178.5	61.7	179	153.7	-173.8	-11.5	112.9	Y497 N498 K501 I514	Y497-R503 WeakPolarHBondContact CD2-O 3.46Å; N498-R503 PolarHBondContact N-O 3.47Å; N498-R503 PolarHBondContact O-N 3.27Å; K501-R503 HydrophobicContact CB-CG 3.97Å; K501-R503 PolarHBondContact O-N 3.27Å; R503-I514 CarbonylContact C-O 3.41Å; R503-I514 VanDerWaalsContact CA-O 3.23Å; R503-I514 WeakPolarHBondContact CA-O 3.36Å; R503-I514 WeakPolarHBondContact CB-O 3.39Å
504	Y	96.1	Very high	94.3	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	149.7	164.9	-55.4	-97.2	0	0	0	110.7	L495 C496 Y497 T513 I514 W517 W553	L495-Y504 HydrophobicContact CD1-CD1 4.42Å; L495-Y504 HydrophobicContact CD2-CD1 4.22Å; L495-Y504 HydrophobicContact CG-CD1 4.34Å; C496-Y504 CarbonylContact O-C 3.46Å; C496-Y504 WeakPolarHBondContact O-CA 3.43Å; Y497-Y504 AromaticContact CD2-CD1 3.78Å; Y497-Y504 HydrophobicContact CD2-CD1 3.78Å; Y497-Y504 AromaticContact CD2-CD2 3.82Å; Y497-Y504 HydrophobicContact CD2-CD2 3.82Å; Y497-Y504 AromaticContact CD2-CE1 3.68Å; Y497-Y504 HydrophobicContact CD2-CE1 3.68Å; Y497-Y504 AromaticContact CD2-CE2 3.74Å; Y497-Y504 HydrophobicContact CD2-CE2 3.74Å; Y497-Y504 AromaticContact CD2-CG 3.83Å; Y497-Y504 HydrophobicContact CD2-CG 3.83Å; Y497-Y504 AromaticContact CD2-CZ 3.65Å; Y497-Y504 HydrophobicContact CE2-CD2 4.4Å; Y497-Y504 HydrophobicContact CE2-CE2 4.11Å; Y497-Y504 HydrophobicContact CG-CD1 4.04Å; Y497-Y504 AromaticContact CG-CE1 3.83Å; Y497-Y504 HydrophobicContact CG-CE1 3.83Å; Y504-T513 VanDerWaalsContact O-CA 3.28Å; Y504-T513 WeakPolarHBondContact O-CA 3.44Å; Y504-I514 HydrophobicContact CD2-CB 4.19Å; Y504-I514 HydrophobicContact CD2-CG2 4.39Å; Y504-I514 PolarHBondContact N-O 3.1Å; Y504-I514 PolarHBondContact O-N 2.82Å; Y504-W517 VanDerWaalsContact CE2-O 3.24Å; Y504-W517 WeakPolarHBondContact CE2-O 3.46Å; Y504-W517 PolarHBondContact OH-O 3.44Å; Y504-W553 AromaticContact CE1-NE1 3.65Å; Y504-W553 AromaticContact CZ-NE1 3.71Å; Y504-W553 PolarHBondContact OH-NE1 3.48Å
505	V	96.4	Very high	93.8	Very high	32 Å²	32	45 Å²	45	19%	0.194	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	115.6	169.2	-175.5	0	0	0	0	107.8	C496 V507 N511 T513	C496-V505 PolarHBondContact N-O 3.49Å; C496-V505 PolarHBondContact O-N 2.91Å; V505-V507 HydrophobicContact CG1-CG2 4.23Å; V505-V507 PolarHBondContact O-N 2.88Å; V505-N511 HydrophobicContact CG1-CB 4.06Å; V505-T513 HydrophobicContact CG2-CG2 4.36Å
506	R	96	Very high	93.3	Very high	27 Å²	27	45.2 Å²	45.2	10%	0.102	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	85.1	174.3	-165.5	173.8	-176	163.1	6.9	108.7	I482 E487 H494 L495 S508 N509 N511 Q512	I482-R506 PolarHBondContact O-NH2 2.88Å; E487-R506 IonicContact OE1-CZ 2.71Å; E487-R506 IonicContact OE1-NE 3.74Å; E487-R506 PolarHBondContact OE1-NE 3.26Å; E487-R506 IonicContact OE1-NH2 3.65Å; E487-R506 IonicContact OE2-CZ 3.53Å; E487-R506 IonicContact OE2-NE 2.7Å; E487-R506 PolarHBondContact OE2-NE 2.79Å; E487-R506 IonicContact OE2-NH2 3.45Å; E487-R506 PolarHBondContact OE2-NH2 3.34Å; H494-R506 CarbonylContact O-C 3.45Å; L495-R506 HydrophobicContact CD1-CB 4.04Å; L495-R506 HydrophobicContact CD1-CG 4.33Å; R506-S508 VanDerWaalsContact C-N 3.27Å; R506-S508 PolarHBondContact O-N 2.62Å; R506-N509 HydrophobicContact CB-CB 4.34Å; R506-N509 HydrophobicContact CG-CB 3.79Å; R506-N509 CarbonylContact O-C 3.34Å; R506-N509 PolarHBondContact O-N 2.84Å; R506-N511 WeakPolarHBondContact O-CA 3.14Å; R506-N511 PolarHBondContact O-N 2.84Å; R506-Q512 HydrophobicContact CB-CB 4.43Å; R506-Q512 PolarHBondContact N-O 3.06Å; R506-Q512 PolarHBondContact O-N 2.9Å
507	V	95.8	Very high	93.1	Very high	53 Å²	53	45.8 Å²	45.8	32%	0.321	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-43.2	-173.6	-178.6	0	0	0	0	111.1	H494 V505 N509 N511	H494-V507 HydrophobicContact CB-CB 4.16Å; H494-V507 PolarHBondContact O-N 3.05Å; V505-V507 HydrophobicContact CG1-CG2 4.23Å; V505-V507 PolarHBondContact O-N 2.88Å; V507-N509 PolarHBondContact O-N 2.9Å; V507-N509 VanDerWaalsContact O-N 3.16Å; V507-N511 WeakPolarHBondContact CA-OD1 3.5Å
508	S	92.4	Very high	92.6	Very high	25 Å²	25	48.8 Å²	48.8	18%	0.175	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-11	178.3	50.6	0	0	0	0	114.9	E487 Q492 H494 R506	E487-S508 WeakPolarHBondContact OE1-CB 3.47Å; E487-S508 PolarHBondContact OE1-OG 3.24Å; Q492-S508 WeakPolarHBondContact O-CB 3.43Å; H494-S508 PolarHBondContact N-OG 2.95Å; H494-S508 PolarHBondContact O-N 3.32Å; H494-S508 PolarHBondContact O-OG 3.2Å; R506-S508 VanDerWaalsContact C-N 3.27Å; R506-S508 PolarHBondContact O-N 2.62Å
509	N	91.8	Very high	92.1	Very high	27 Å²	27	52.5 Å²	52.5	14%	0.144	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	60.3	179.5	-163.2	44.7	0	0	0	111.2	S484 N486 R506 V507 N511 Q512	S484-N509 PolarHBondContact OG-OD1 2.87Å; N486-N509 PolarHBondContact ND2-OD1 3.48Å; N486-N509 VanDerWaalsContact ND2-OD1 3.12Å; R506-N509 HydrophobicContact CB-CB 4.34Å; R506-N509 HydrophobicContact CG-CB 3.79Å; R506-N509 CarbonylContact O-C 3.34Å; R506-N509 PolarHBondContact O-N 2.84Å; V507-N509 PolarHBondContact O-N 2.9Å; V507-N509 VanDerWaalsContact O-N 3.16Å; N509-N511 VanDerWaalsContact C-N 3.27Å; N509-N511 PolarHBondContact O-N 2.72Å; N509-Q512 PolarHBondContact ND2-OE1 3.12Å; N509-Q512 WeakPolarHBondContact O-CB 3.42Å; N509-Q512 PolarHBondContact O-N 3.11Å; N509-Q512 VanDerWaalsContact O-N 3.13Å
510	N	89.6	Confident	91.7	Very high	137 Å²	137	52.5 Å²	52.5	73%	0.733	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	36.9	177.6	-59.8	-28.9	0	0	0	113.8	Q512	N510-Q512 PolarHBondContact O-N 2.84Å
511	N	91.4	Very high	91.7	Very high	97 Å²	97	51.8 Å²	51.8	52%	0.519	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	33.6	-177.1	-60.1	-47.6	0	0	0	113.6	V505 R506 V507 N509 T513	V505-N511 HydrophobicContact CG1-CB 4.06Å; R506-N511 WeakPolarHBondContact O-CA 3.14Å; R506-N511 PolarHBondContact O-N 2.84Å; V507-N511 WeakPolarHBondContact CA-OD1 3.5Å; N509-N511 VanDerWaalsContact C-N 3.27Å; N509-N511 PolarHBondContact O-N 2.72Å; N511-T513 PolarHBondContact O-N 2.87Å
512	Q	89.1	Confident	91.5	Very high	96 Å²	96	50.4 Å²	50.4	45%	0.449	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	132.1	176.3	-178.2	-177.9	18.6	0	0	110.1	R506 N509 N510	R506-Q512 HydrophobicContact CB-CB 4.43Å; R506-Q512 PolarHBondContact N-O 3.06Å; R506-Q512 PolarHBondContact O-N 2.9Å; N509-Q512 PolarHBondContact ND2-OE1 3.12Å; N509-Q512 WeakPolarHBondContact O-CB 3.42Å; N509-Q512 PolarHBondContact O-N 3.11Å; N509-Q512 VanDerWaalsContact O-N 3.13Å; N510-Q512 PolarHBondContact O-N 2.84Å
513	T	91.9	Very high	91.1	Very high	81 Å²	81	53.1 Å²	53.1	50%	0.497	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	144.9	-177.9	59.6	0	0	0	0	112.1	Y504 V505 N511	Y504-T513 VanDerWaalsContact O-CA 3.28Å; Y504-T513 WeakPolarHBondContact O-CA 3.44Å; V505-T513 HydrophobicContact CG2-CG2 4.36Å; N511-T513 PolarHBondContact O-N 2.87Å
514	I	88.3	Confident	90.9	Very high	45 Å²	45	49.5 Å²	49.5	23%	0.231	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	108.5	172.6	-51.3	170.8	0	0	0	106.8	F481 R503 Y504 N519	F481-I514 HydrophobicContact CE1-CD1 3.92Å; F481-I514 HydrophobicContact CZ-CD1 4.47Å; R503-I514 CarbonylContact C-O 3.41Å; R503-I514 VanDerWaalsContact CA-O 3.23Å; R503-I514 WeakPolarHBondContact CA-O 3.36Å; R503-I514 WeakPolarHBondContact CB-O 3.39Å; Y504-I514 HydrophobicContact CD2-CB 4.19Å; Y504-I514 HydrophobicContact CD2-CG2 4.39Å; Y504-I514 PolarHBondContact N-O 3.1Å; Y504-I514 PolarHBondContact O-N 2.82Å; I514-N519 HydrophobicContact CG2-CB 3.76Å
515	S	87.9	Confident	90.5	Very high	91 Å²	91	54.1 Å²	54.1	64%	0.636	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	142	179.9	-168.5	0	0	0	0	111.1	N519	S515-N519 PolarHBondContact O-ND2 2.9Å
516	G	86.8	Confident	90.2	Very high	6 Å²	6	54.2 Å²	54.2	6%	0.062	29%	0.288	C	S	.	.	S	Bend	trans	81.1	123.6	180	0	0	0	0	0	113.8	D502 E518 N519	D502-G516 WeakPolarHBondContact O-CA 3.33Å; D502-G516 PolarHBondContact O-N 2.92Å; G516-E518 PolarHBondContact O-N 3.2Å; G516-N519 PolarHBondContact O-N 3.03Å; G516-N519 VanDerWaalsContact O-N 3.11Å
517	W	93.5	Very high	90.1	Very high	16 Å²	16	53 Å²	53	6%	0.061	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-52.4	-39.3	177.4	64.5	-81	0	0	0	113	Y497 D502 Y504 N519 G520 V521 M524 I527 L540 I551	Y497-W517 HydrophobicContact CE1-CB 4.39Å; Y497-W517 HydrophobicContact CE2-CB 3.75Å; Y497-W517 WeakPolarHBondContact OH-CB 3.4Å; D502-W517 PolarHBondContact OD1-N 3.44Å; Y504-W517 VanDerWaalsContact CE2-O 3.24Å; Y504-W517 WeakPolarHBondContact CE2-O 3.46Å; Y504-W517 PolarHBondContact OH-O 3.44Å; W517-N519 PolarHBondContact O-N 2.98Å; W517-N519 VanDerWaalsContact O-N 3.16Å; W517-G520 PolarHBondContact O-N 3.47Å; W517-V521 HydrophobicContact CE3-CG2 4.15Å; W517-V521 HydrophobicContact CZ3-CG2 4.44Å; W517-V521 WeakPolarHBondContact O-CG2 3.48Å; W517-M524 HydrophobicContact CE3-CE 4.12Å; W517-M524 HydrophobicContact CH2-CE 3.43Å; W517-M524 VanDerWaalsContact CH2-CE 3.43Å; W517-M524 HydrophobicContact CH2-SD 3.31Å; W517-M524 WeakPolarHBondContact CH2-SD 3.44Å; W517-M524 HydrophobicContact CZ2-CE 4.37Å; W517-M524 HydrophobicContact CZ3-CE 3.27Å; W517-M524 HydrophobicContact CZ3-SD 3.32Å; W517-M524 WeakPolarHBondContact CZ3-SD 3.3Å; W517-I527 HydrophobicContact CE3-CG2 4.45Å; W517-I527 HydrophobicContact CH2-CB 3.99Å; W517-I527 HydrophobicContact CH2-CG2 3.6Å; W517-I527 HydrophobicContact CZ2-CG2 4.41Å; W517-I527 HydrophobicContact CZ3-CB 4.18Å; W517-I527 HydrophobicContact CZ3-CG2 3.62Å; W517-L540 HydrophobicContact CD2-CD1 4.32Å; W517-L540 HydrophobicContact CD2-CD2 3.86Å; W517-L540 HydrophobicContact CE3-CD1 4.05Å; W517-L540 HydrophobicContact CE3-CD2 4.33Å; W517-L540 HydrophobicContact CG-CD2 3.91Å; W517-I551 HydrophobicContact CE3-CD1 3.91Å; W517-I551 HydrophobicContact CZ3-CD1 3.84Å
518	E	86.9	Confident	89.9	Confident	63 Å²	63	52.8 Å²	52.8	29%	0.294	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-65.3	-20.9	-176.5	64.3	-92.5	-144	0	0	113.4	G516 V521 M524	G516-E518 PolarHBondContact O-N 3.2Å; E518-V521 PolarHBondContact O-N 3.39Å; E518-M524 HydrophobicContact CB-CE 3.63Å
519	N	86.1	Confident	90	Very high	82 Å²	82	54.5 Å²	54.5	44%	0.439	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-81.3	-16.3	-175	-67.2	-48.7	0	0	0	113.2	T479 I514 S515 G516 W517	T479-N519 PolarHBondContact OG1-O 2.71Å; I514-N519 HydrophobicContact CG2-CB 3.76Å; S515-N519 PolarHBondContact O-ND2 2.9Å; G516-N519 PolarHBondContact O-N 3.03Å; G516-N519 VanDerWaalsContact O-N 3.11Å; W517-N519 PolarHBondContact O-N 2.98Å; W517-N519 VanDerWaalsContact O-N 3.16Å
520	G	89.4	Confident	90.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-95.8	-4.1	172.4	0	0	0	0	0	114.3	F481 W517	F481-G520 VanDerWaalsContact CE2-O 3.26Å; F481-G520 WeakPolarHBondContact CE2-O 3.47Å; W517-G520 PolarHBondContact O-N 3.47Å
521	V	93.2	Very high	90.1	Very high	3 Å²	3	52 Å²	52	2%	0.018	27%	0.266	C	S	.	.			trans	-85	136.8	-172.7	170.3	0	0	0	0	111.2	T479 W517 E518 K523 M524 I551 S552 W553	T479-V521 PolarHBondContact N-O 3.45Å; W517-V521 HydrophobicContact CE3-CG2 4.15Å; W517-V521 HydrophobicContact CZ3-CG2 4.44Å; W517-V521 WeakPolarHBondContact O-CG2 3.48Å; E518-V521 PolarHBondContact O-N 3.39Å; V521-K523 WeakPolarHBondContact CG1-O 3.15Å; V521-M524 HydrophobicContact CB-CE 4.28Å; V521-M524 HydrophobicContact CG1-CB 3.87Å; V521-M524 HydrophobicContact CG1-CE 4.12Å; V521-M524 HydrophobicContact CG1-CG 3.81Å; V521-M524 HydrophobicContact CG2-CE 4.46Å; V521-I551 HydrophobicContact CG1-CG1 4.02Å; V521-I551 HydrophobicContact CG2-CD1 3.7Å; V521-I551 HydrophobicContact CG2-CG1 3.85Å; V521-S552 WeakPolarHBondContact CG1-O 3.35Å; V521-W553 HydrophobicContact CG2-CZ2 4.45Å
522	W	88.5	Confident	89.9	Confident	44 Å²	44	48.8 Å²	48.8	17%	0.167	25%	0.248	C	C	.	.	S	Bend	trans	-77.5	-62.7	171.8	175.2	-114.1	0	0	0	110.6	E478 S552 K554	E478-W522 VanDerWaalsContact C-CZ3 3.46Å; E478-W522 WeakPolarHBondContact CA-O 3.39Å; E478-W522 HydrophobicContact CB-CD2 3.79Å; E478-W522 HydrophobicContact CB-CE3 3.36Å; E478-W522 HydrophobicContact CB-CH2 3.5Å; E478-W522 HydrophobicContact CB-CZ2 3.95Å; E478-W522 HydrophobicContact CB-CZ3 3.21Å; E478-W522 WeakPolarHBondContact CB-O 3.49Å; E478-W522 HydrophobicContact CG-CH2 4.37Å; E478-W522 HydrophobicContact CG-CZ2 4.5Å; E478-W522 HydrophobicContact CG-CZ3 4.47Å; E478-W522 WeakPolarHBondContact O-CZ3 3.47Å; E478-W522 WeakPolarHBondContact OE2-CH2 3.23Å; E478-W522 WeakPolarHBondContact OE2-CZ2 3.16Å; W522-S552 PolarHBondContact N-O 3.11Å; W522-K554 HydrophobicContact CB-CB 3.7Å; W522-K554 HydrophobicContact CD2-CB 3.69Å; W522-K554 HydrophobicContact CD2-CD 3.86Å; W522-K554 HydrophobicContact CD2-CG 4.36Å; W522-K554 HydrophobicContact CE3-CB 4.04Å; W522-K554 HydrophobicContact CE3-CD 4.16Å; W522-K554 HydrophobicContact CG-CB 3.49Å; W522-K554 VanDerWaalsContact CG-CB 3.49Å; W522-K554 HydrophobicContact CG-CD 4.36Å; W522-K554 HydrophobicContact CH2-CD 4.36Å; W522-K554 HydrophobicContact CZ2-CD 4.01Å; W522-K554 HydrophobicContact CZ3-CD 4.4Å
523	K	86.8	Confident	89.4	Confident	91 Å²	91	49 Å²	49	40%	0.396	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	146.2	177.3	-68.9	177.5	172.7	-176.8	0	110.9	E478 V521 Y550 I551 S552	E478-K523 WeakPolarHBondContact OE1-CE 3.4Å; E478-K523 IonicContact OE1-NZ 3.11Å; V521-K523 WeakPolarHBondContact CG1-O 3.15Å; K523-Y550 VanDerWaalsContact C-CE2 3.42Å; K523-Y550 HydrophobicContact CB-CE2 3.58Å; K523-I551 CarbonylContact O-C 3.54Å; K523-I551 WeakPolarHBondContact O-CA 3.36Å; K523-S552 WeakPolarHBondContact CA-OG 3.41Å; K523-S552 WeakPolarHBondContact CB-OG 3.07Å; K523-S552 PolarHBondContact N-OG 2.76Å; K523-S552 VanDerWaalsContact N-OG 3.09Å; K523-S552 PolarHBondContact O-N 3.48Å; K523-S552 PolarHBondContact O-OG 2.81Å
524	M	91.8	Very high	88.5	Confident	22 Å²	22	51.5 Å²	51.5	11%	0.108	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	160.6	172.8	57.4	154.4	132.8	0	0	112.4	R476 W517 E518 V521 I527 Y550 I551	R476-M524 VanDerWaalsContact CZ-SD 3.57Å; R476-M524 VanDerWaalsContact NE-CE 3.26Å; R476-M524 PolarHBondContact NH1-SD 3Å; W517-M524 HydrophobicContact CE3-CE 4.12Å; W517-M524 HydrophobicContact CH2-CE 3.43Å; W517-M524 VanDerWaalsContact CH2-CE 3.43Å; W517-M524 HydrophobicContact CH2-SD 3.31Å; W517-M524 WeakPolarHBondContact CH2-SD 3.44Å; W517-M524 HydrophobicContact CZ2-CE 4.37Å; W517-M524 HydrophobicContact CZ3-CE 3.27Å; W517-M524 HydrophobicContact CZ3-SD 3.32Å; W517-M524 WeakPolarHBondContact CZ3-SD 3.3Å; E518-M524 HydrophobicContact CB-CE 3.63Å; V521-M524 HydrophobicContact CB-CE 4.28Å; V521-M524 HydrophobicContact CG1-CB 3.87Å; V521-M524 HydrophobicContact CG1-CE 4.12Å; V521-M524 HydrophobicContact CG1-CG 3.81Å; V521-M524 HydrophobicContact CG2-CE 4.46Å; M524-I527 HydrophobicContact SD-CB 4.37Å; M524-Y550 VanDerWaalsContact C-CZ 3.43Å; M524-Y550 CarbonylContact C-O 3.52Å; M524-Y550 VanDerWaalsContact CA-CE2 3.41Å; M524-Y550 WeakPolarHBondContact CA-O 3.41Å; M524-Y550 VanDerWaalsContact CB-O 3.23Å; M524-Y550 WeakPolarHBondContact CB-O 3.4Å; M524-I551 HydrophobicContact CB-CB 4.23Å; M524-I551 HydrophobicContact CB-CG1 4.24Å
525	E	87.5	Confident	88.2	Confident	99 Å²	99	58.2 Å²	58.2	46%	0.463	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	139.9	171.1	176.5	177.1	-172.9	0	0	109.5	I527 A549 Y550	E525-I527 PolarHBondContact O-N 3.46Å; E525-I527 VanDerWaalsContact O-N 3.1Å; E525-A549 VanDerWaalsContact O-CA 3.28Å; E525-A549 WeakPolarHBondContact O-CA 3.32Å; E525-A549 VanDerWaalsContact O-CB 3.26Å; E525-A549 WeakPolarHBondContact O-CB 3.32Å; E525-Y550 HydrophobicContact CB-CD1 3.3Å; E525-Y550 HydrophobicContact CB-CE1 3.15Å; E525-Y550 HydrophobicContact CB-CG 4.32Å; E525-Y550 HydrophobicContact CG-CD1 4.41Å; E525-Y550 HydrophobicContact CG-CE1 4.31Å; E525-Y550 PolarHBondContact N-O 3.23Å; E525-Y550 PolarHBondContact O-N 3.26Å; E525-Y550 WeakPolarHBondContact OE2-CE1 3.42Å
526	S	90.4	Very high	88.2	Confident	33 Å²	33	58.5 Å²	58.5	23%	0.231	28%	0.28	C	S	.	.	S	Bend	trans	54.7	30.3	172	-60.8	0	0	0	0	115.6	R542 K543 F548 A549	S526-R542 CarbonylContact O-C 3.54Å; S526-R542 WeakPolarHBondContact O-CA 3.34Å; S526-K543 PolarHBondContact O-N 3.21Å; S526-F548 WeakPolarHBondContact CB-O 3.4Å; S526-A549 WeakPolarHBondContact O-CB 3.48Å
527	I	93.4	Very high	88.6	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	145	173.2	-61.8	-67.9	0	0	0	111.5	W517 M524 E525 L540 A541 A549 I551 L618	W517-I527 HydrophobicContact CE3-CG2 4.45Å; W517-I527 HydrophobicContact CH2-CB 3.99Å; W517-I527 HydrophobicContact CH2-CG2 3.6Å; W517-I527 HydrophobicContact CZ2-CG2 4.41Å; W517-I527 HydrophobicContact CZ3-CB 4.18Å; W517-I527 HydrophobicContact CZ3-CG2 3.62Å; M524-I527 HydrophobicContact SD-CB 4.37Å; E525-I527 PolarHBondContact O-N 3.46Å; E525-I527 VanDerWaalsContact O-N 3.1Å; I527-L540 HydrophobicContact CG2-CB 4.05Å; I527-L540 HydrophobicContact CG2-CD1 4.35Å; I527-A541 WeakPolarHBondContact CA-O 3.46Å; I527-A549 HydrophobicContact CD1-CB 3.48Å; I527-A549 VanDerWaalsContact CD1-CB 3.48Å; I527-A549 HydrophobicContact CG1-CB 4.03Å; I527-I551 HydrophobicContact CG1-CB 4.21Å; I527-I551 HydrophobicContact CG2-CD1 4.4Å; I527-L618 HydrophobicContact CD1-CD1 3.87Å; I527-L618 HydrophobicContact CD1-CD2 3.8Å; I527-L618 HydrophobicContact CD1-CG 4.42Å
528	F	91.1	Very high	88.7	Confident	49 Å²	49	59 Å²	59	22%	0.215	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	160	165.4	83.8	-69.7	0	0	0	112	K530 L540 A541 R542 K543 W627	F528-K530 HydrophobicContact CE2-CB 3.82Å; F528-K530 HydrophobicContact CE2-CD 4.17Å; F528-K530 HydrophobicContact CZ-CB 3.9Å; F528-K530 HydrophobicContact CZ-CD 4.28Å; F528-K530 HydrophobicContact CZ-CG 4.42Å; F528-L540 WeakPolarHBondContact O-CA 3.49Å; F528-A541 HydrophobicContact CE1-CB 4.28Å; F528-A541 PolarHBondContact N-O 2.98Å; F528-A541 PolarHBondContact O-N 3.38Å; F528-R542 WeakPolarHBondContact CE1-O 3.44Å; F528-K543 HydrophobicContact CD1-CG 4.29Å; F528-W627 AromaticContact CE1-CE3 3.65Å; F528-W627 HydrophobicContact CE1-CE3 3.65Å; F528-W627 HydrophobicContact CE1-CH2 4.43Å; F528-W627 AromaticContact CE1-CZ3 3.51Å; F528-W627 HydrophobicContact CE1-CZ3 3.51Å; F528-W627 AromaticContact CZ-CE3 3.96Å; F528-W627 HydrophobicContact CZ-CE3 3.96Å; F528-W627 AromaticContact CZ-CH2 3.88Å; F528-W627 HydrophobicContact CZ-CH2 3.88Å; F528-W627 AromaticContact CZ-CZ3 3.34Å; F528-W627 HydrophobicContact CZ-CZ3 3.34Å
529	R	95.2	Very high	89.2	Confident	60 Å²	60	56 Å²	56	23%	0.226	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123	172.8	-175.9	175	176.3	-84.1	9.5	110.3	I499 V500 V531 V538 Y539 L540	I499-R529 HydrophobicContact CD1-CG 3.99Å; I499-R529 VanDerWaalsContact O-CZ 3.25Å; I499-R529 PolarHBondContact O-NE 3.02Å; I499-R529 PolarHBondContact O-NH2 3.29Å; V500-R529 PolarHBondContact O-NH2 3.18Å; V500-R529 VanDerWaalsContact O-NH2 3.08Å; R529-V531 VanDerWaalsContact NH1-CG2 3.35Å; R529-V538 HydrophobicContact CG-CG2 4.07Å; R529-V538 VanDerWaalsContact CZ-CG2 3.43Å; R529-Y539 WeakPolarHBondContact CA-O 2.99Å; R529-L540 HydrophobicContact CB-CD2 3.61Å; R529-L540 HydrophobicContact CG-CD2 4.08Å
530	K	92.6	Very high	89.8	Confident	68 Å²	68	52.1 Å²	52.1	30%	0.296	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.5	178.9	174.8	59	-179.8	167	0	109.8	F528 E532 V538 Y539 W627	F528-K530 HydrophobicContact CE2-CB 3.82Å; F528-K530 HydrophobicContact CE2-CD 4.17Å; F528-K530 HydrophobicContact CZ-CB 3.9Å; F528-K530 HydrophobicContact CZ-CD 4.28Å; F528-K530 HydrophobicContact CZ-CG 4.42Å; K530-E532 HydrophobicContact CG-CG 4.36Å; K530-V538 VanDerWaalsContact O-CA 3.32Å; K530-V538 WeakPolarHBondContact O-CA 3.26Å; K530-V538 WeakPolarHBondContact O-CG2 3.47Å; K530-Y539 HydrophobicContact CB-CD2 4.11Å; K530-Y539 HydrophobicContact CB-CE2 3.74Å; K530-Y539 HydrophobicContact CG-CE1 4.4Å; K530-Y539 HydrophobicContact CG-CE2 3.8Å; K530-Y539 PolarHBondContact N-O 2.62Å; K530-Y539 PolarHBondContact O-N 2.75Å; K530-Y539 VanDerWaalsContact O-N 3.12Å; K530-W627 HydrophobicContact CD-CH2 4.19Å; K530-W627 HydrophobicContact CG-CH2 4.22Å; K530-W627 HydrophobicContact CG-CZ3 4.31Å
531	V	90.9	Very high	90.1	Very high	45 Å²	45	52.1 Å²	52.1	27%	0.273	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.6	167.1	-176.8	0	0	0	0	108.3	R529 V538 L637	R529-V531 VanDerWaalsContact NH1-CG2 3.35Å; V531-V538 HydrophobicContact CG2-CG2 4.01Å; V531-L637 HydrophobicContact CG1-CD1 3.71Å; V531-L637 HydrophobicContact CG1-CD2 4.25Å; V531-L637 HydrophobicContact CG1-CG 4.5Å
532	E	85.9	Confident	90.2	Very high	29 Å²	29	52.1 Å²	52.1	14%	0.136	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	103.3	171.5	-61.7	-174.6	126.9	0	0	108.3	K530 W535 H536 M537 Y539 R634	K530-E532 HydrophobicContact CG-CG 4.36Å; E532-W535 HydrophobicContact CB-CB 4.27Å; E532-H536 VanDerWaalsContact O-CA 3.32Å; E532-H536 WeakPolarHBondContact O-CA 3.31Å; E532-H536 PolarHBondContact O-N 2.97Å; E532-M537 HydrophobicContact CB-CB 4.33Å; E532-M537 PolarHBondContact N-O 2.88Å; E532-M537 PolarHBondContact O-N 2.7Å; E532-M537 VanDerWaalsContact O-N 3.1Å; E532-Y539 HydrophobicContact CG-CE1 3.82Å; E532-Y539 WeakPolarHBondContact CG-OH 3.45Å; E532-Y539 PolarHBondContact OE1-OH 3.41Å; E532-Y539 WeakPolarHBondContact OE2-CE1 3.11Å; E532-R634 IonicContact OE2-CZ 3.97Å; E532-R634 IonicContact OE2-NH1 3.27Å; E532-R634 PolarHBondContact OE2-NH1 2.97Å; E532-R634 IonicContact OE2-NH2 3.3Å
533	T	78.9	Confident	90	Very high	101 Å²	101	52.8 Å²	52.8	62%	0.62	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-40	-179.8	47.9	0	0	0	0	112	W535 H536	T533-W535 VanDerWaalsContact C-N 3.28Å; T533-W535 PolarHBondContact O-N 2.76Å; T533-H536 PolarHBondContact O-CE1 3.39Å; T533-H536 PolarHBondContact O-N 2.92Å; T533-H536 PolarHBondContact O-ND1 3.49Å
534	D	73.8	Confident	89.8	Confident	133 Å²	133	54.3 Å²	54.3	71%	0.711	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-36.2	-176.7	-60.1	-16.9	0	0	0	111.6
535	W	81.5	Confident	89.3	Confident	186 Å²	186	57.2 Å²	57.2	71%	0.705	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-4.2	-177.2	-55.7	113.5	0	0	0	113.8	E532 T533 M537	E532-W535 HydrophobicContact CB-CB 4.27Å; T533-W535 VanDerWaalsContact C-N 3.28Å; T533-W535 PolarHBondContact O-N 2.76Å; W535-M537 VanDerWaalsContact C-N 3.27Å; W535-M537 HydrophobicContact CB-CG 3.98Å; W535-M537 WeakPolarHBondContact O-CG 3.31Å; W535-M537 PolarHBondContact O-N 3.08Å
536	H	88.9	Confident	89.2	Confident	97 Å²	97	53.5 Å²	53.5	45%	0.449	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	45.4	-172.7	-64.8	65.8	0	0	0	112.5	E532 T533 S636 L637	E532-H536 VanDerWaalsContact O-CA 3.32Å; E532-H536 WeakPolarHBondContact O-CA 3.31Å; E532-H536 PolarHBondContact O-N 2.97Å; T533-H536 PolarHBondContact O-CE1 3.39Å; T533-H536 PolarHBondContact O-N 2.92Å; T533-H536 PolarHBondContact O-ND1 3.49Å; H536-S636 CarbonylContact O-C 3.59Å; H536-S636 VanDerWaalsContact O-CA 3.31Å; H536-S636 WeakPolarHBondContact O-CA 3.46Å; H536-S636 PolarHBondContact O-OG 2.87Å; H536-L637 HydrophobicContact CB-CB 4.46Å; H536-L637 HydrophobicContact CB-CD1 4.49Å; H536-L637 PolarHBondContact O-N 2.9Å
537	M	93.4	Very high	89.2	Confident	32 Å²	32	56.7 Å²	56.7	16%	0.158	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	152	-178.6	-63.4	-59.7	-65.6	0	0	111.6	E532 W535 Y539 R634 Q635	E532-M537 HydrophobicContact CB-CB 4.33Å; E532-M537 PolarHBondContact N-O 2.88Å; E532-M537 PolarHBondContact O-N 2.7Å; E532-M537 VanDerWaalsContact O-N 3.1Å; W535-M537 VanDerWaalsContact C-N 3.27Å; W535-M537 HydrophobicContact CB-CG 3.98Å; W535-M537 WeakPolarHBondContact O-CG 3.31Å; W535-M537 PolarHBondContact O-N 3.08Å; M537-Y539 HydrophobicContact CB-CE1 4.47Å; M537-R634 HydrophobicContact CE-CG 3.57Å; M537-Q635 WeakPolarHBondContact CA-O 3.49Å; M537-Q635 VanDerWaalsContact CE-C 3.46Å; M537-Q635 WeakPolarHBondContact CE-O 3.34Å
538	V	95.9	Very high	89.2	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	142.8	174.7	63.7	0	0	0	0	111.1	I499 V500 R529 K530 V531 R634 Q635 L637	I499-V538 HydrophobicContact CD1-CG2 4.45Å; I499-V538 HydrophobicContact CG1-CG1 4.14Å; I499-V538 HydrophobicContact CG1-CG2 3.94Å; I499-V538 HydrophobicContact CG2-CG1 4.1Å; V500-V538 HydrophobicContact CB-CG1 4.49Å; V500-V538 HydrophobicContact CG2-CG1 3.73Å; R529-V538 HydrophobicContact CG-CG2 4.07Å; R529-V538 VanDerWaalsContact CZ-CG2 3.43Å; K530-V538 VanDerWaalsContact O-CA 3.32Å; K530-V538 WeakPolarHBondContact O-CA 3.26Å; K530-V538 WeakPolarHBondContact O-CG2 3.47Å; V531-V538 HydrophobicContact CG2-CG2 4.01Å; V538-R634 WeakPolarHBondContact O-CA 3.12Å; V538-Q635 PolarHBondContact N-O 2.81Å; V538-Q635 PolarHBondContact O-N 2.72Å; V538-L637 HydrophobicContact CB-CD2 3.79Å; V538-L637 HydrophobicContact CB-CG 4.48Å; V538-L637 HydrophobicContact CG1-CD2 3.86Å
539	Y	97.8	Very high	89.4	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	166.8	-179.4	42.7	-85.7	0	0	0	111.2	R529 K530 E532 M537 A541 Q631 L632 R634	R529-Y539 WeakPolarHBondContact CA-O 2.99Å; K530-Y539 HydrophobicContact CB-CD2 4.11Å; K530-Y539 HydrophobicContact CB-CE2 3.74Å; K530-Y539 HydrophobicContact CG-CE1 4.4Å; K530-Y539 HydrophobicContact CG-CE2 3.8Å; K530-Y539 PolarHBondContact N-O 2.62Å; K530-Y539 PolarHBondContact O-N 2.75Å; K530-Y539 VanDerWaalsContact O-N 3.12Å; E532-Y539 HydrophobicContact CG-CE1 3.82Å; E532-Y539 WeakPolarHBondContact CG-OH 3.45Å; E532-Y539 PolarHBondContact OE1-OH 3.41Å; E532-Y539 WeakPolarHBondContact OE2-CE1 3.11Å; M537-Y539 HydrophobicContact CB-CE1 4.47Å; Y539-A541 HydrophobicContact CD2-CB 3.81Å; Y539-A541 HydrophobicContact CE2-CB 3.84Å; Y539-Q631 HydrophobicContact CD2-CB 3.87Å; Y539-Q631 HydrophobicContact CD2-CG 3.6Å; Y539-Q631 HydrophobicContact CE2-CG 3.8Å; Y539-Q631 HydrophobicContact CG-CB 3.98Å; Y539-Q631 HydrophobicContact CG-CG 4.05Å; Y539-L632 WeakPolarHBondContact CA-O 3.41Å; Y539-L632 WeakPolarHBondContact CB-O 3.33Å; Y539-R634 HydrophobicContact CD1-CG 3.94Å; Y539-R634 HydrophobicContact CG-CG 4.44Å
540	L	97.9	Very high	89.3	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.6	160.9	-54.9	-177.5	0	0	0	109.5	I499 W517 I527 F528 R529 I551 Q631 L632 F633	I499-L540 HydrophobicContact CD1-CD2 3.76Å; I499-L540 HydrophobicContact CD1-CG 3.93Å; W517-L540 HydrophobicContact CD2-CD1 4.32Å; W517-L540 HydrophobicContact CD2-CD2 3.86Å; W517-L540 HydrophobicContact CE3-CD1 4.05Å; W517-L540 HydrophobicContact CE3-CD2 4.33Å; W517-L540 HydrophobicContact CG-CD2 3.91Å; I527-L540 HydrophobicContact CG2-CB 4.05Å; I527-L540 HydrophobicContact CG2-CD1 4.35Å; F528-L540 WeakPolarHBondContact O-CA 3.49Å; R529-L540 HydrophobicContact CB-CD2 3.61Å; R529-L540 HydrophobicContact CG-CD2 4.08Å; L540-I551 HydrophobicContact CD1-CD1 4Å; L540-Q631 CarbonylContact O-C 3.59Å; L540-Q631 WeakPolarHBondContact O-CA 3.35Å; L540-L632 HydrophobicContact CB-CB 4.18Å; L540-L632 PolarHBondContact N-O 3.27Å; L540-L632 PolarHBondContact O-N 2.79Å; L540-F633 HydrophobicContact CD1-CD2 3.72Å; L540-F633 HydrophobicContact CD1-CE2 3.74Å; L540-F633 HydrophobicContact CG-CD2 4Å
541	A	97	Very high	89.5	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	172.5	178.1	0	0	0	0	0	111.1	I527 F528 Y539 W627	I527-A541 WeakPolarHBondContact CA-O 3.46Å; F528-A541 HydrophobicContact CE1-CB 4.28Å; F528-A541 PolarHBondContact N-O 2.98Å; F528-A541 PolarHBondContact O-N 3.38Å; Y539-A541 HydrophobicContact CD2-CB 3.81Å; Y539-A541 HydrophobicContact CE2-CB 3.84Å; A541-W627 HydrophobicContact CB-CE3 3.95Å; A541-W627 HydrophobicContact CB-CZ3 4Å
542	R	95.1	Very high	89.8	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	151.4	172.7	-44.1	-160.9	-58.9	-107.1	4.9	110.1	S526 F528 S546 A549 L618 S619 R620 A626 W627 T630	S526-R542 CarbonylContact O-C 3.54Å; S526-R542 WeakPolarHBondContact O-CA 3.34Å; F528-R542 WeakPolarHBondContact CE1-O 3.44Å; R542-S546 WeakPolarHBondContact CB-OG 3.44Å; R542-S546 PolarHBondContact NE-O 2.75Å; R542-S546 VanDerWaalsContact NE-O 3.13Å; R542-S546 PolarHBondContact NH2-O 3.32Å; R542-A549 HydrophobicContact CB-CB 3.94Å; R542-A549 HydrophobicContact CG-CB 3.65Å; R542-L618 WeakPolarHBondContact CD-O 3.32Å; R542-L618 HydrophobicContact CG-CB 3.77Å; R542-L618 HydrophobicContact CG-CD2 3.97Å; R542-S619 PolarHBondContact NH1-O 2.8Å; R542-R620 PolarHBondContact NH1-O 3.01Å; R542-R620 PolarHBondContact NH2-O 3.44Å; R542-A626 PolarHBondContact NH2-O 3.44Å; R542-W627 HydrophobicContact CB-CB 4.27Å; R542-W627 PolarHBondContact N-O 3.27Å; R542-W627 WeakPolarHBondContact O-CB 3.4Å; R542-W627 VanDerWaalsContact O-CE3 3.22Å; R542-T630 WeakPolarHBondContact CG-OG1 3.45Å; R542-T630 PolarHBondContact NH1-OG1 3.41Å
543	K	83.9	Confident	90.3	Very high	59 Å²	59	51.8 Å²	51.8	26%	0.257	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-62.9	144.3	170.9	-71.4	-174.1	178.1	-173.3	0	109.9	S526 F528 G545 S546 W627	S526-K543 PolarHBondContact O-N 3.21Å; F528-K543 HydrophobicContact CD1-CG 4.29Å; K543-G545 PolarHBondContact O-N 2.83Å; K543-S546 PolarHBondContact N-OG 2.68Å; K543-S546 WeakPolarHBondContact O-CB 3.35Å; K543-S546 PolarHBondContact O-N 2.7Å; K543-S546 PolarHBondContact O-OG 2.9Å; K543-W627 WeakPolarHBondContact O-CB 3.46Å
544	E	83.3	Confident	91.1	Very high	123 Å²	123	48.5 Å²	48.5	58%	0.575	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	138.6	176.3	-172.5	171	-176.2	0	0	111.4	S546 W627	E544-S546 VanDerWaalsContact C-N 3.25Å; E544-S546 PolarHBondContact O-N 3.38Å; E544-W627 HydrophobicContact CB-CD2 4.49Å; E544-W627 HydrophobicContact CB-CG 4.19Å; E544-W627 HydrophobicContact CG-CG 4.47Å
545	G	81.9	Confident	92	Very high	82 Å²	82	42.4 Å²	42.4	85%	0.845	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.6	-5.6	-174.9	0	0	0	0	0	115.8	K543	K543-G545 PolarHBondContact O-N 2.83Å
546	S	84.3	Confident	92.6	Very high	21 Å²	21	35.2 Å²	35.2	15%	0.147	20%	0.195	C	C	.	.			trans	-86.5	131.3	177.3	69.5	0	0	0	0	112.9	R542 K543 E544	R542-S546 WeakPolarHBondContact CB-OG 3.44Å; R542-S546 PolarHBondContact NE-O 2.75Å; R542-S546 VanDerWaalsContact NE-O 3.13Å; R542-S546 PolarHBondContact NH2-O 3.32Å; K543-S546 PolarHBondContact N-OG 2.68Å; K543-S546 WeakPolarHBondContact O-CB 3.35Å; K543-S546 PolarHBondContact O-N 2.7Å; K543-S546 PolarHBondContact O-OG 2.9Å; E544-S546 VanDerWaalsContact C-N 3.25Å; E544-S546 PolarHBondContact O-N 3.38Å
547	S	90.8	Very high	92.5	Very high	100 Å²	100	30.7 Å²	30.7	70%	0.699	18%	0.175	S	C	*	.	S	Bend	trans	-80.8	-18.6	174.1	54.7	0	0	0	0	113.1
548	F	94.1	Very high	92.1	Very high	79 Å²	79	30.1 Å²	30.1	35%	0.346	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	146.7	-175.2	178.6	-100.8	0	0	0	111	S526 Y550 E617 L618	S526-F548 WeakPolarHBondContact CB-O 3.4Å; F548-Y550 HydrophobicContact CE1-CD1 4.1Å; F548-E617 HydrophobicContact CE2-CB 4.1Å; F548-E617 HydrophobicContact CE2-CG 4.23Å; F548-E617 HydrophobicContact CZ-CB 4.43Å; F548-E617 HydrophobicContact CZ-CG 4.11Å; F548-L618 WeakPolarHBondContact CA-O 3.3Å
549	A	93.3	Very high	91.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	154.7	169.7	0	0	0	0	0	110.1	E525 S526 I527 R542 L618	E525-A549 VanDerWaalsContact O-CA 3.28Å; E525-A549 WeakPolarHBondContact O-CA 3.32Å; E525-A549 VanDerWaalsContact O-CB 3.26Å; E525-A549 WeakPolarHBondContact O-CB 3.32Å; S526-A549 WeakPolarHBondContact O-CB 3.48Å; I527-A549 HydrophobicContact CD1-CB 3.48Å; I527-A549 VanDerWaalsContact CD1-CB 3.48Å; I527-A549 HydrophobicContact CG1-CB 4.03Å; R542-A549 HydrophobicContact CB-CB 3.94Å; R542-A549 HydrophobicContact CG-CB 3.65Å; A549-L618 HydrophobicContact CB-CB 4.29Å; A549-L618 PolarHBondContact N-O 3.26Å; A549-L618 PolarHBondContact O-N 2.88Å
550	Y	94.1	Very high	90.9	Very high	68 Å²	68	35.6 Å²	35.6	27%	0.267	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	154.3	174.3	83.5	-96	0	0	0	111.1	K523 M524 E525 F548 A616	K523-Y550 VanDerWaalsContact C-CE2 3.42Å; K523-Y550 HydrophobicContact CB-CE2 3.58Å; M524-Y550 VanDerWaalsContact C-CZ 3.43Å; M524-Y550 CarbonylContact C-O 3.52Å; M524-Y550 VanDerWaalsContact CA-CE2 3.41Å; M524-Y550 WeakPolarHBondContact CA-O 3.41Å; M524-Y550 VanDerWaalsContact CB-O 3.23Å; M524-Y550 WeakPolarHBondContact CB-O 3.4Å; E525-Y550 HydrophobicContact CB-CD1 3.3Å; E525-Y550 HydrophobicContact CB-CE1 3.15Å; E525-Y550 HydrophobicContact CB-CG 4.32Å; E525-Y550 HydrophobicContact CG-CD1 4.41Å; E525-Y550 HydrophobicContact CG-CE1 4.31Å; E525-Y550 PolarHBondContact N-O 3.23Å; E525-Y550 PolarHBondContact O-N 3.26Å; E525-Y550 WeakPolarHBondContact OE2-CE1 3.42Å; F548-Y550 HydrophobicContact CE1-CD1 4.1Å; Y550-A616 WeakPolarHBondContact CA-O 3.26Å
551	I	96.8	Very high	90.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	145.8	173.7	-174.6	167.5	0	0	0	110.1	W517 V521 K523 M524 I527 L540 W553 E615 A616 L632	W517-I551 HydrophobicContact CE3-CD1 3.91Å; W517-I551 HydrophobicContact CZ3-CD1 3.84Å; V521-I551 HydrophobicContact CG1-CG1 4.02Å; V521-I551 HydrophobicContact CG2-CD1 3.7Å; V521-I551 HydrophobicContact CG2-CG1 3.85Å; K523-I551 CarbonylContact O-C 3.54Å; K523-I551 WeakPolarHBondContact O-CA 3.36Å; M524-I551 HydrophobicContact CB-CB 4.23Å; M524-I551 HydrophobicContact CB-CG1 4.24Å; I527-I551 HydrophobicContact CG1-CB 4.21Å; I527-I551 HydrophobicContact CG2-CD1 4.4Å; L540-I551 HydrophobicContact CD1-CD1 4Å; I551-W553 HydrophobicContact CB-CH2 4.47Å; I551-W553 HydrophobicContact CD1-CH2 3.66Å; I551-W553 HydrophobicContact CD1-CZ2 3.7Å; I551-W553 HydrophobicContact CD1-CZ3 4.49Å; I551-W553 HydrophobicContact CG1-CH2 3.75Å; I551-W553 HydrophobicContact CG1-CZ2 4.02Å; I551-W553 HydrophobicContact CG1-CZ3 4.1Å; I551-W553 HydrophobicContact CG2-CH2 3.95Å; I551-W553 HydrophobicContact CG2-CZ3 4.03Å; I551-E615 CarbonylContact O-C 3.57Å; I551-E615 VanDerWaalsContact O-CA 3.23Å; I551-E615 WeakPolarHBondContact O-CA 3.47Å; I551-A616 HydrophobicContact CG2-CB 3.86Å; I551-A616 PolarHBondContact N-O 3.32Å; I551-A616 PolarHBondContact O-N 2.56Å; I551-L632 HydrophobicContact CG2-CD1 3.56Å
552	S	96.8	Very high	90.2	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	153.1	-178.1	61.6	0	0	0	0	113.8	V521 W522 K523 L614	V521-S552 WeakPolarHBondContact CG1-O 3.35Å; W522-S552 PolarHBondContact N-O 3.11Å; K523-S552 WeakPolarHBondContact CA-OG 3.41Å; K523-S552 WeakPolarHBondContact CB-OG 3.07Å; K523-S552 PolarHBondContact N-OG 2.76Å; K523-S552 VanDerWaalsContact N-OG 3.09Å; K523-S552 PolarHBondContact O-N 3.48Å; K523-S552 PolarHBondContact O-OG 2.81Å; S552-L614 CarbonylContact C-O 3.58Å; S552-L614 WeakPolarHBondContact CA-O 3.49Å; S552-L614 WeakPolarHBondContact CB-O 3.32Å
553	W	97.3	Very high	90.2	Very high	1 Å²	1	40 Å²	40	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130.6	174.2	-62	-97.2	0	0	0	108.7	Y504 V521 I551 F555 W583 I613 L614 F633 L645	Y504-W553 AromaticContact CE1-NE1 3.65Å; Y504-W553 AromaticContact CZ-NE1 3.71Å; Y504-W553 PolarHBondContact OH-NE1 3.48Å; V521-W553 HydrophobicContact CG2-CZ2 4.45Å; I551-W553 HydrophobicContact CB-CH2 4.47Å; I551-W553 HydrophobicContact CD1-CH2 3.66Å; I551-W553 HydrophobicContact CD1-CZ2 3.7Å; I551-W553 HydrophobicContact CD1-CZ3 4.49Å; I551-W553 HydrophobicContact CG1-CH2 3.75Å; I551-W553 HydrophobicContact CG1-CZ2 4.02Å; I551-W553 HydrophobicContact CG1-CZ3 4.1Å; I551-W553 HydrophobicContact CG2-CH2 3.95Å; I551-W553 HydrophobicContact CG2-CZ3 4.03Å; W553-F555 HydrophobicContact CB-CE2 3.87Å; W553-F555 HydrophobicContact CB-CZ 4.25Å; W553-W583 HydrophobicContact CH2-CH2 4.2Å; W553-W583 HydrophobicContact CH2-CZ3 4.41Å; W553-W583 AromaticContact CZ3-CH2 4Å; W553-W583 HydrophobicContact CZ3-CH2 4Å; W553-W583 AromaticContact CZ3-CZ3 3.75Å; W553-W583 HydrophobicContact CZ3-CZ3 3.75Å; W553-I613 WeakPolarHBondContact O-CA 3.44Å; W553-L614 HydrophobicContact CE3-CB 4.5Å; W553-L614 HydrophobicContact CE3-CD2 4.02Å; W553-L614 HydrophobicContact CE3-CG 4.09Å; W553-L614 PolarHBondContact N-O 3.34Å; W553-L614 PolarHBondContact O-N 3.27Å; W553-F633 AromaticContact CH2-CE2 3.99Å; W553-F633 HydrophobicContact CH2-CE2 3.99Å; W553-F633 AromaticContact CH2-CZ 3.8Å; W553-F633 HydrophobicContact CH2-CZ 3.8Å; W553-F633 HydrophobicContact CZ2-CE2 4.14Å; W553-F633 HydrophobicContact CZ2-CZ 4.17Å; W553-L645 HydrophobicContact CD2-CD2 4.37Å; W553-L645 HydrophobicContact CZ2-CD2 4.09Å
554	K	95.1	Very high	90.8	Very high	31 Å²	31	37.3 Å²	37.3	14%	0.135	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.5	-178.8	-177.2	171.7	-178.5	171.1	0	110.9	F481 W522 E611 I613	F481-K554 PolarHBondContact N-O 2.9Å; W522-K554 HydrophobicContact CB-CB 3.7Å; W522-K554 HydrophobicContact CD2-CB 3.69Å; W522-K554 HydrophobicContact CD2-CD 3.86Å; W522-K554 HydrophobicContact CD2-CG 4.36Å; W522-K554 HydrophobicContact CE3-CB 4.04Å; W522-K554 HydrophobicContact CE3-CD 4.16Å; W522-K554 HydrophobicContact CG-CB 3.49Å; W522-K554 VanDerWaalsContact CG-CB 3.49Å; W522-K554 HydrophobicContact CG-CD 4.36Å; W522-K554 HydrophobicContact CH2-CD 4.36Å; W522-K554 HydrophobicContact CZ2-CD 4.01Å; W522-K554 HydrophobicContact CZ3-CD 4.4Å; K554-E611 WeakPolarHBondContact CE-OE2 3.15Å; K554-E611 IonicContact NZ-OE1 2.7Å; K554-E611 IonicContact NZ-OE2 3.63Å; K554-E611 PolarHBondContact NZ-OE2 3.05Å; K554-I613 HydrophobicContact CB-CG1 4.19Å; K554-I613 HydrophobicContact CD-CD1 4.39Å; K554-I613 HydrophobicContact CD-CG1 4.31Å; K554-I613 HydrophobicContact CG-CG1 3.93Å
555	F	93.9	Very high	91.4	Very high	6 Å²	6	35 Å²	35	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.9	174.7	-55.5	-94.8	0	0	0	108.4	F481 L493 L495 W553 E611 V612 I647 I649	F481-F555 HydrophobicContact CB-CD1 3.57Å; F481-F555 HydrophobicContact CB-CE1 3.85Å; F481-F555 HydrophobicContact CB-CG 4.4Å; F481-F555 HydrophobicContact CD2-CD1 4.15Å; F481-F555 AromaticContact CD2-CE1 3.69Å; F481-F555 HydrophobicContact CD2-CE1 3.69Å; F481-F555 HydrophobicContact CD2-CZ 4.02Å; F481-F555 HydrophobicContact CE2-CE1 4.48Å; F481-F555 HydrophobicContact CG-CD1 4.15Å; F481-F555 AromaticContact CG-CE1 3.9Å; F481-F555 HydrophobicContact CG-CE1 3.9Å; F481-F555 WeakPolarHBondContact O-CA 3.39Å; L493-F555 HydrophobicContact CD1-CD1 4.3Å; L493-F555 HydrophobicContact CD2-CD1 4Å; L493-F555 HydrophobicContact CD2-CE1 3.91Å; L495-F555 HydrophobicContact CD2-CE1 4.04Å; L495-F555 HydrophobicContact CD2-CZ 4.13Å; W553-F555 HydrophobicContact CB-CE2 3.87Å; W553-F555 HydrophobicContact CB-CZ 4.25Å; F555-E611 CarbonylContact O-C 3.51Å; F555-E611 VanDerWaalsContact O-CA 3.24Å; F555-E611 WeakPolarHBondContact O-CA 3.31Å; F555-V612 HydrophobicContact CB-CG2 3.89Å; F555-V612 HydrophobicContact CD2-CG2 4.31Å; F555-V612 HydrophobicContact CG-CG2 4.46Å; F555-V612 PolarHBondContact N-O 3.45Å; F555-V612 PolarHBondContact O-N 3.17Å; F555-I647 HydrophobicContact CE1-CG2 4.28Å; F555-I647 HydrophobicContact CE2-CD1 3.79Å; F555-I647 HydrophobicContact CE2-CG2 4.25Å; F555-I647 HydrophobicContact CZ-CB 4.37Å; F555-I647 HydrophobicContact CZ-CD1 3.44Å; F555-I647 VanDerWaalsContact CZ-CD1 3.44Å; F555-I647 HydrophobicContact CZ-CG1 4.49Å; F555-I647 HydrophobicContact CZ-CG2 3.95Å; F555-I649 HydrophobicContact CB-CD1 3.65Å; F555-I649 HydrophobicContact CD1-CD1 3.64Å; F555-I649 HydrophobicContact CD2-CD1 4.17Å; F555-I649 HydrophobicContact CE1-CD1 4.39Å; F555-I649 HydrophobicContact CG-CD1 3.53Å
556	E	92.1	Very high	92.1	Very high	35 Å²	35	32.4 Å²	32.4	16%	0.164	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.9	-175.9	-170.5	-73.7	132.2	0	0	108.8	F481 I482 P483 G558 S559 E611	F481-E556 PolarHBondContact O-N 3.16Å; I482-E556 WeakPolarHBondContact CA-O 3.27Å; P483-E556 WeakPolarHBondContact CD-O 3.23Å; E556-G558 WeakPolarHBondContact OE1-CA 3.23Å; E556-G558 PolarHBondContact OE1-N 3.01Å; E556-S559 PolarHBondContact OE1-N 2.87Å; E556-S559 VanDerWaalsContact OE2-CB 3.25Å; E556-S559 WeakPolarHBondContact OE2-CB 3.28Å; E556-S559 PolarHBondContact OE2-OG 3.32Å; E556-E611 HydrophobicContact CB-CB 4.49Å; E556-E611 HydrophobicContact CG-CB 4.37Å
557	C	87.4	Confident	92.7	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.014	19%	0.185	C	C	.	.			trans	-132.3	-7.8	-174.8	66.2	0	0	0	0	114.4	P483 S559 V560 L562 T610 F651	P483-C557 HydrophobicContact CG-CB 3.83Å; C557-S559 VanDerWaalsContact C-N 3.34Å; C557-S559 PolarHBondContact O-N 3.12Å; C557-V560 HydrophobicContact CB-CG2 4.42Å; C557-V560 WeakPolarHBondContact O-CG2 3.4Å; C557-V560 PolarHBondContact O-N 3.17Å; C557-L562 CarbonylContact C-O 3.28Å; C557-L562 HydrophobicContact CB-CB 4.02Å; C557-L562 PolarHBondContact O-N 3.47Å; C557-L562 VanDerWaalsContact O-N 3.11Å; C557-L562 PolarHBondContact SG-O 3.07Å; C557-T610 PolarHBondContact N-O 2.87Å; C557-T610 PolarHBondContact SG-O 2.8Å; C557-F651 HydrophobicContact CB-CD1 4.06Å; C557-F651 HydrophobicContact CB-CE1 3.62Å; C557-F651 HydrophobicContact CB-CZ 4.27Å
558	G	84.5	Confident	93	Very high	20 Å²	20	27.4 Å²	27.4	21%	0.206	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-64.4	-37	177.1	0	0	0	0	0	113.1	E556 V560 G561 T610	E556-G558 WeakPolarHBondContact OE1-CA 3.23Å; E556-G558 PolarHBondContact OE1-N 3.01Å; G558-V560 PolarHBondContact O-N 2.84Å; G558-V560 VanDerWaalsContact O-N 3.08Å; G558-G561 PolarHBondContact O-N 3.06Å; G558-T610 PolarHBondContact N-O 3.39Å
559	S	82.6	Confident	93.2	Very high	81 Å²	81	23.8 Å²	23.8	57%	0.566	14%	0.141	S	C	*	.	G	3₁₀ helix	trans	-60.6	-19.5	177.4	67.1	0	0	0	0	113.6	E556 C557	E556-S559 PolarHBondContact OE1-N 2.87Å; E556-S559 VanDerWaalsContact OE2-CB 3.25Å; E556-S559 WeakPolarHBondContact OE2-CB 3.28Å; E556-S559 PolarHBondContact OE2-OG 3.32Å; C557-S559 VanDerWaalsContact C-N 3.34Å; C557-S559 PolarHBondContact O-N 3.12Å
560	V	86.3	Confident	93.4	Very high	34 Å²	34	26.2 Å²	26.2	21%	0.206	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-109.6	14.5	178.3	-62.6	0	0	0	0	113.5	I482 P483 K488 C557 G558 L562	I482-V560 HydrophobicContact CG2-CG1 3.65Å; P483-V560 HydrophobicContact CB-CG2 4.14Å; P483-V560 HydrophobicContact CG-CG2 4Å; K488-V560 HydrophobicContact CD-CB 4.26Å; K488-V560 VanDerWaalsContact CE-CG1 3.49Å; C557-V560 HydrophobicContact CB-CG2 4.42Å; C557-V560 WeakPolarHBondContact O-CG2 3.4Å; C557-V560 PolarHBondContact O-N 3.17Å; G558-V560 PolarHBondContact O-N 2.84Å; G558-V560 VanDerWaalsContact O-N 3.08Å; V560-L562 VanDerWaalsContact C-N 3.34Å; V560-L562 HydrophobicContact CG2-CB 4.39Å; V560-L562 HydrophobicContact CG2-CD1 3.99Å; V560-L562 HydrophobicContact CG2-CG 4.1Å
561	G	87.9	Confident	93.6	Very high	36 Å²	36	23.1 Å²	23.1	37%	0.371	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	28.3	176.4	0	0	0	0	0	113.6	G558 L654	G558-G561 PolarHBondContact O-N 3.06Å; G561-L654 VanDerWaalsContact C-CB 3.43Å; G561-L654 WeakPolarHBondContact O-CB 3.2Å; G561-L654 PolarHBondContact O-N 3.23Å
562	L	93.4	Very high	93.6	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	157.8	175.5	-61	177.3	0	0	0	110.6	P483 K488 K491 C557 V560 F651 S652	P483-L562 HydrophobicContact CB-CD1 4.13Å; P483-L562 HydrophobicContact CG-CD1 4.16Å; K488-L562 HydrophobicContact CG-CD1 4.18Å; K491-L562 HydrophobicContact CD-CD2 3.98Å; C557-L562 CarbonylContact C-O 3.28Å; C557-L562 HydrophobicContact CB-CB 4.02Å; C557-L562 PolarHBondContact O-N 3.47Å; C557-L562 VanDerWaalsContact O-N 3.11Å; C557-L562 PolarHBondContact SG-O 3.07Å; V560-L562 VanDerWaalsContact C-N 3.34Å; V560-L562 HydrophobicContact CG2-CB 4.39Å; V560-L562 HydrophobicContact CG2-CD1 3.99Å; V560-L562 HydrophobicContact CG2-CG 4.1Å; L562-F651 HydrophobicContact CB-CB 4.26Å; L562-F651 HydrophobicContact CB-CD1 4.38Å; L562-F651 HydrophobicContact CB-CG 4.4Å; L562-F651 HydrophobicContact CD1-CB 4.09Å; L562-F651 HydrophobicContact CD1-CD2 4.1Å; L562-F651 HydrophobicContact CD1-CG 4.01Å; L562-F651 HydrophobicContact CD2-CB 4.44Å; L562-S652 WeakPolarHBondContact CA-O 3.43Å
563	K	95.3	Very high	93.6	Very high	58 Å²	58	25.7 Å²	25.7	25%	0.252	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	155.8	165	66.4	-167	171.3	-145.6	0	110.3	F651 S652 D653 L654	K563-F651 CarbonylContact O-C 3.48Å; K563-F651 VanDerWaalsContact O-CA 3.26Å; K563-F651 WeakPolarHBondContact O-CA 3.44Å; K563-S652 VanDerWaalsContact CE-OG 3.28Å; K563-S652 WeakPolarHBondContact CE-OG 3.31Å; K563-S652 VanDerWaalsContact CG-OG 3.23Å; K563-S652 WeakPolarHBondContact CG-OG 3.42Å; K563-S652 PolarHBondContact N-O 3.46Å; K563-S652 PolarHBondContact O-N 3.35Å; K563-D653 WeakPolarHBondContact CE-O 3.28Å; K563-D653 PolarHBondContact NZ-O 3.01Å; K563-L654 HydrophobicContact CB-CD1 3.89Å; K563-L654 HydrophobicContact CD-CD1 4.42Å; K563-L654 PolarHBondContact NZ-OXT 3.03Å
564	I	96.2	Very high	93.6	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	136.3	178.6	-64.3	167.4	0	0	0	108.8	F606 S607 G608 A609 V612 I649 F651	I564-F606 WeakPolarHBondContact CB-O 3.23Å; I564-F606 HydrophobicContact CG2-CB 4.22Å; I564-S607 CarbonylContact O-C 3.48Å; I564-S607 VanDerWaalsContact O-CA 3.32Å; I564-S607 WeakPolarHBondContact O-CA 3.37Å; I564-G608 PolarHBondContact O-N 2.87Å; I564-A609 WeakPolarHBondContact CB-O 3.33Å; I564-A609 HydrophobicContact CD1-CB 4.26Å; I564-A609 WeakPolarHBondContact CG1-O 3.34Å; I564-A609 PolarHBondContact N-O 2.8Å; I564-V612 HydrophobicContact CD1-CB 4.05Å; I564-V612 HydrophobicContact CD1-CG1 3.39Å; I564-V612 HydrophobicContact CD1-CG2 3.62Å; I564-I649 HydrophobicContact CG1-CG2 3.97Å; I564-I649 HydrophobicContact CG2-CG2 4.1Å; I564-F651 HydrophobicContact CG1-CD1 4.33Å; I564-F651 HydrophobicContact CG1-CE1 4.13Å
565	D	95.6	Very high	93.7	Very high	74 Å²	74	31.7 Å²	31.7	40%	0.396	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-51.8	170.9	177.3	43	0	0	0	110	S607 K650	D565-S607 WeakPolarHBondContact O-CB 3.46Å; D565-S607 PolarHBondContact O-OG 2.81Å; D565-K650 HydrophobicContact CB-CB 4.38Å; D565-K650 PolarHBondContact N-O 3.11Å
566	S	95.7	Very high	93.8	Very high	27 Å²	27	34.6 Å²	34.6	19%	0.189	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	156.2	175.8	66.1	0	0	0	0	110.7	K650	S566-K650 PolarHBondContact N-O 2.92Å; S566-K650 PolarHBondContact O-N 2.78Å
567	I	97.4	Very high	94	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.6	175.6	-178.5	162.5	0	0	0	110.4	I569 L585 S602 Y603 F606 V612 I647 I648 I649	I567-I569 HydrophobicContact CD1-CD1 3.96Å; I567-I569 HydrophobicContact CD1-CG1 4.22Å; I567-I569 HydrophobicContact CG1-CD1 4.18Å; I567-I569 HydrophobicContact CG1-CG1 3.91Å; I567-L585 HydrophobicContact CD1-CD1 4.08Å; I567-L585 HydrophobicContact CD1-CD2 4.03Å; I567-L585 HydrophobicContact CG1-CD2 4.38Å; I567-L585 HydrophobicContact CG2-CD2 3.71Å; I567-S602 CarbonylContact O-C 3.49Å; I567-S602 WeakPolarHBondContact O-CA 3.24Å; I567-Y603 HydrophobicContact CG2-CD2 4.49Å; I567-Y603 PolarHBondContact N-O 2.58Å; I567-Y603 VanDerWaalsContact N-O 3.11Å; I567-Y603 PolarHBondContact O-N 2.86Å; I567-F606 HydrophobicContact CG2-CB 4.27Å; I567-F606 HydrophobicContact CG2-CD2 3.52Å; I567-F606 HydrophobicContact CG2-CE2 4.26Å; I567-F606 HydrophobicContact CG2-CG 4.14Å; I567-V612 HydrophobicContact CD1-CG2 3.94Å; I567-I647 HydrophobicContact CD1-CG2 4.39Å; I567-I648 CarbonylContact C-O 3.51Å; I567-I648 WeakPolarHBondContact CA-O 3.41Å; I567-I649 HydrophobicContact CD1-CD1 4.07Å; I567-I649 HydrophobicContact CD1-CG1 3.91Å; I567-I649 HydrophobicContact CG1-CG1 4.06Å
568	S	98.1	Very high	94.4	Very high	15 Å²	15	41.9 Å²	41.9	11%	0.105	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.3	173.3	-49.1	0	0	0	0	110.1	H601 S602 I647 I648	S568-H601 CarbonylContact C-O 3.5Å; S568-H601 WeakPolarHBondContact CA-O 3.45Å; S568-S602 PolarHBondContact OG-OG 3.48Å; S568-I647 WeakPolarHBondContact O-CA 3.46Å; S568-I648 PolarHBondContact N-O 2.81Å; S568-I648 PolarHBondContact O-N 3.16Å
569	I	97.8	Very high	95	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.2	-177.9	-56.4	-172.1	0	0	0	109.9	I567 L585 L594 H601 L614 E646 I647	I567-I569 HydrophobicContact CD1-CD1 3.96Å; I567-I569 HydrophobicContact CD1-CG1 4.22Å; I567-I569 HydrophobicContact CG1-CD1 4.18Å; I567-I569 HydrophobicContact CG1-CG1 3.91Å; I569-L585 HydrophobicContact CD1-CD1 3.71Å; I569-L585 HydrophobicContact CD1-CD2 3.69Å; I569-L585 HydrophobicContact CD1-CG 4.22Å; I569-L594 HydrophobicContact CD1-CD1 4.21Å; I569-L594 HydrophobicContact CG2-CD1 4.33Å; I569-H601 PolarHBondContact N-O 2.84Å; I569-H601 PolarHBondContact O-N 2.84Å; I569-L614 HydrophobicContact CD1-CD1 3.96Å; I569-L614 HydrophobicContact CD1-CD2 4.36Å; I569-L614 HydrophobicContact CG2-CD1 4.49Å; I569-L614 HydrophobicContact CG2-CD2 4.29Å; I569-E646 CarbonylContact C-O 3.55Å; I569-E646 WeakPolarHBondContact CA-O 3.4Å; I569-I647 HydrophobicContact CG2-CG1 4.5Å
570	R	97.9	Very high	95.8	Very high	52 Å²	52	39.3 Å²	39.3	20%	0.196	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	129.7	161.1	178.5	176.2	68.4	-122.8	-8.1	108	N598 N599 L600 N643 L645 E646	R570-N598 WeakPolarHBondContact CD-O 3.13Å; R570-N598 WeakPolarHBondContact CD-OD1 3.5Å; R570-N599 WeakPolarHBondContact CA-O 3.44Å; R570-L600 HydrophobicContact CB-CB 4.26Å; R570-L600 HydrophobicContact CB-CD1 3.98Å; R570-N643 PolarHBondContact NE-O 3.14Å; R570-N643 PolarHBondContact NH2-O 2.93Å; R570-L645 WeakPolarHBondContact O-CA 3.33Å; R570-E646 HydrophobicContact CB-CB 4.24Å; R570-E646 IonicContact CZ-OE2 2.75Å; R570-E646 PolarHBondContact N-O 2.91Å; R570-E646 IonicContact NE-OE2 2.71Å; R570-E646 IonicContact NH1-OE2 4Å; R570-E646 PolarHBondContact NH1-OE2 3.4Å; R570-E646 IonicContact NH2-OE2 2.69Å; R570-E646 PolarHBondContact NH2-OE2 3.26Å; R570-E646 PolarHBondContact O-N 3.39Å
571	T	96.9	Very high	96.3	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.1	173.7	-170.9	0	0	0	0	109.8	W583 G596 D597 N598 F633	T571-W583 HydrophobicContact CG2-CD2 3.76Å; T571-W583 HydrophobicContact CG2-CE3 4.09Å; T571-W583 HydrophobicContact CG2-CG 4.1Å; T571-W583 HydrophobicContact CG2-CZ2 4.19Å; T571-W583 HydrophobicContact CG2-CZ3 4.45Å; T571-W583 WeakPolarHBondContact OG1-CH2 3.16Å; T571-W583 WeakPolarHBondContact OG1-CZ2 3.39Å; T571-G596 CarbonylContact O-C 3.59Å; T571-G596 VanDerWaalsContact O-C 3.28Å; T571-G596 WeakPolarHBondContact O-CA 3.36Å; T571-D597 PolarHBondContact O-N 3.15Å; T571-N598 WeakPolarHBondContact O-CA 3.49Å; T571-N598 PolarHBondContact O-N 2.58Å; T571-F633 WeakPolarHBondContact OG1-CE1 3.37Å
572	T	96.7	Very high	96.8	Very high	29 Å²	29	41.2 Å²	41.2	18%	0.178	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-133	139.7	179.8	-174.2	0	0	0	0	111.5	G596 F633 C644	T572-G596 WeakPolarHBondContact CA-O 3.37Å; T572-F633 HydrophobicContact CG2-CD1 4.17Å; T572-F633 PolarHBondContact O-N 2.78Å; T572-C644 HydrophobicContact CG2-CB 3.84Å; T572-C644 PolarHBondContact N-O 3.38Å
573	S	97.1	Very high	97	Very high	29 Å²	29	41.4 Å²	41.4	20%	0.203	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	149.5	176.5	57.1	0	0	0	0	111.3	W583 G596 Q631	S573-W583 PolarHBondContact OG-NE1 2.81Å; S573-G596 PolarHBondContact N-O 3.45Å; S573-Q631 CarbonylContact C-O 3.46Å; S573-Q631 VanDerWaalsContact CA-O 3.31Å; S573-Q631 WeakPolarHBondContact CA-O 3.49Å
574	Q	97.8	Very high	97.1	Very high	89 Å²	89	39.2 Å²	39.2	42%	0.416	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.1	176	-169	160.1	27	0	0	110.7	F576 Q631 R634	Q574-F576 HydrophobicContact CB-CE2 4.42Å; Q574-F576 HydrophobicContact CG-CE1 4.49Å; Q574-F576 HydrophobicContact CG-CE2 3.84Å; Q574-F576 HydrophobicContact CG-CZ 3.81Å; Q574-Q631 PolarHBondContact N-O 3.37Å; Q574-Q631 PolarHBondContact O-N 2.8Å; Q574-R634 HydrophobicContact CB-CB 4.45Å
575	T	97.4	Very high	97.2	Very high	69 Å²	69	39.1 Å²	39.1	42%	0.423	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	148.7	174.7	53.3	0	0	0	0	110.8	G579 I581 H629	T575-G579 WeakPolarHBondContact CB-O 3.4Å; T575-I581 HydrophobicContact CG2-CB 4.17Å; T575-I581 HydrophobicContact CG2-CD1 3.68Å; T575-I581 HydrophobicContact CG2-CG1 3.69Å; T575-H629 CarbonylContact C-O 3.59Å; T575-H629 VanDerWaalsContact CA-O 3.26Å; T575-H629 WeakPolarHBondContact CA-O 3.5Å
576	F	95.7	Very high	97.2	Very high	66 Å²	66	39.6 Å²	39.6	29%	0.289	20%	0.203	S	C	.	.			trans	-127.8	153.4	173.5	-58.8	-90	0	0	0	109.9	Q574 T578 G579 H629 Q631	Q574-F576 HydrophobicContact CB-CE2 4.42Å; Q574-F576 HydrophobicContact CG-CE1 4.49Å; Q574-F576 HydrophobicContact CG-CE2 3.84Å; Q574-F576 HydrophobicContact CG-CZ 3.81Å; F576-T578 PolarHBondContact O-N 3.35Å; F576-G579 PolarHBondContact O-N 3.25Å; F576-H629 HydrophobicContact CB-CB 4.45Å; F576-H629 PolarHBondContact N-O 3.33Å; F576-H629 WeakPolarHBondContact O-CB 3.46Å; F576-Q631 HydrophobicContact CE2-CG 4.34Å
577	Q	96.5	Very high	97	Very high	127 Å²	127	39.2 Å²	39.2	59%	0.593	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.6	-126	-177.7	-61	76.4	22.5	0	0	111.9	G579 D622 H629	Q577-G579 VanDerWaalsContact C-N 3.34Å; Q577-D622 WeakPolarHBondContact CB-OD2 3.33Å; Q577-H629 PolarHBondContact OE1-CD2 3.18Å; Q577-H629 PolarHBondContact OE1-CE1 3.03Å; Q577-H629 PolarHBondContact OE1-ND1 3.2Å; Q577-H629 VanDerWaalsContact OE1-ND1 3.14Å; Q577-H629 PolarHBondContact OE1-NE2 3.31Å; Q577-H629 VanDerWaalsContact OE1-NE2 3.1Å
578	T	96.4	Very high	96.3	Very high	63 Å²	63	44.7 Å²	44.7	39%	0.387	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	2.7	179.3	64.3	0	0	0	0	114.2	F576 T580 R620 G621 D622	F576-T578 PolarHBondContact O-N 3.35Å; T578-T580 PolarHBondContact O-OG1 2.81Å; T578-R620 WeakPolarHBondContact O-CB 3.15Å; T578-R620 WeakPolarHBondContact O-CD 3.46Å; T578-G621 VanDerWaalsContact OG1-C 3.32Å; T578-G621 WeakPolarHBondContact OG1-CA 3.41Å; T578-G621 PolarHBondContact OG1-N 3.4Å; T578-D622 VanDerWaalsContact CG2-OD1 3.29Å; T578-D622 WeakPolarHBondContact CG2-OD1 3.34Å; T578-D622 WeakPolarHBondContact CG2-OD2 3.4Å; T578-D622 PolarHBondContact OG1-OD1 3.37Å
579	G	96.8	Very high	95.6	Very high	8 Å²	8	49.3 Å²	49.3	8%	0.082	26%	0.257	C	S	.	.			trans	-57.7	142.9	-178.7	0	0	0	0	0	112.3	T575 F576 Q577	T575-G579 WeakPolarHBondContact CB-O 3.4Å; F576-G579 PolarHBondContact O-N 3.25Å; Q577-G579 VanDerWaalsContact C-N 3.34Å
580	T	97.8	Very high	95.3	Very high	39 Å²	39	50.2 Å²	50.2	24%	0.239	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	135.8	-179.8	-55.7	0	0	0	0	110.5	T578 E582 S619 R620 T630	T578-T580 PolarHBondContact O-OG1 2.81Å; T580-E582 HydrophobicContact CG2-CG 4.33Å; T580-S619 PolarHBondContact N-O 3.26Å; T580-S619 PolarHBondContact O-N 3.34Å; T580-R620 WeakPolarHBondContact OG1-CD 3.37Å; T580-T630 WeakPolarHBondContact O-CG2 3.47Å
581	I	98.4	Very high	95.2	Very high	25 Å²	25	54.7 Å²	54.7	13%	0.128	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.8	175.7	-61.6	169	0	0	0	107.5	T575 E617 L618 T630 L632	T575-I581 HydrophobicContact CG2-CB 4.17Å; T575-I581 HydrophobicContact CG2-CD1 3.68Å; T575-I581 HydrophobicContact CG2-CG1 3.69Å; I581-E617 VanDerWaalsContact CA-O 3.3Å; I581-E617 WeakPolarHBondContact CA-O 3.09Å; I581-L618 HydrophobicContact CG1-CG 4.26Å; I581-T630 HydrophobicContact CD1-CG2 4.5Å; I581-T630 HydrophobicContact CG1-CG2 3.9Å; I581-L632 HydrophobicContact CD1-CD2 3.98Å; I581-L632 HydrophobicContact CG1-CD2 4.44Å; I581-L632 HydrophobicContact CG2-CD2 3.62Å
582	E	97.9	Very high	95.1	Very high	86 Å²	86	56 Å²	56	40%	0.402	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.7	176	-64.6	179.7	-173.3	0	0	109.2	T580 K584 A616 E617	T580-E582 HydrophobicContact CG2-CG 4.33Å; E582-K584 WeakPolarHBondContact OE2-CE 3.44Å; E582-K584 IonicContact OE2-NZ 2.64Å; E582-K584 PolarHBondContact OE2-NZ 3.01Å; E582-A616 WeakPolarHBondContact O-CA 3.4Å; E582-E617 PolarHBondContact N-O 2.96Å; E582-E617 PolarHBondContact O-N 3.35Å
583	W	98.2	Very high	95	Very high	6 Å²	6	61.4 Å²	61.4	2%	0.023	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.1	172.7	-73.3	95.7	0	0	0	110.5	W553 T571 S573 E593 L594 L614 E615 A616 L632 F633	W553-W583 HydrophobicContact CH2-CH2 4.2Å; W553-W583 HydrophobicContact CH2-CZ3 4.41Å; W553-W583 AromaticContact CZ3-CH2 4Å; W553-W583 HydrophobicContact CZ3-CH2 4Å; W553-W583 AromaticContact CZ3-CZ3 3.75Å; W553-W583 HydrophobicContact CZ3-CZ3 3.75Å; T571-W583 HydrophobicContact CG2-CD2 3.76Å; T571-W583 HydrophobicContact CG2-CE3 4.09Å; T571-W583 HydrophobicContact CG2-CG 4.1Å; T571-W583 HydrophobicContact CG2-CZ2 4.19Å; T571-W583 HydrophobicContact CG2-CZ3 4.45Å; T571-W583 WeakPolarHBondContact OG1-CH2 3.16Å; T571-W583 WeakPolarHBondContact OG1-CZ2 3.39Å; S573-W583 PolarHBondContact OG-NE1 2.81Å; W583-E593 WeakPolarHBondContact O-CA 3.36Å; W583-L594 HydrophobicContact CB-CB 3.74Å; W583-L594 HydrophobicContact CB-CD1 4.29Å; W583-L594 HydrophobicContact CB-CG 4.37Å; W583-L594 PolarHBondContact O-N 3.38Å; W583-L614 HydrophobicContact CE3-CD1 3.86Å; W583-L614 HydrophobicContact CE3-CG 4.29Å; W583-L614 HydrophobicContact CZ3-CD1 4.17Å; W583-L614 HydrophobicContact CZ3-CD2 4.16Å; W583-L614 HydrophobicContact CZ3-CG 4.11Å; W583-E615 WeakPolarHBondContact CA-O 3.47Å; W583-A616 HydrophobicContact CD2-CB 3.79Å; W583-A616 HydrophobicContact CE3-CB 3.7Å; W583-A616 HydrophobicContact CH2-CB 3.86Å; W583-A616 HydrophobicContact CZ2-CB 3.97Å; W583-A616 HydrophobicContact CZ3-CB 3.75Å; W583-L632 HydrophobicContact CH2-CD1 4.35Å; W583-L632 HydrophobicContact CZ2-CB 4.42Å; W583-L632 HydrophobicContact CZ2-CD1 4.26Å; W583-L632 HydrophobicContact CZ2-CD2 3.69Å; W583-L632 HydrophobicContact CZ2-CG 4.34Å; W583-F633 AromaticContact CH2-CE1 3.87Å; W583-F633 HydrophobicContact CH2-CE1 3.87Å; W583-F633 AromaticContact CH2-CZ 3.72Å; W583-F633 HydrophobicContact CH2-CZ 3.72Å; W583-F633 HydrophobicContact CZ2-CE1 4.08Å; W583-F633 HydrophobicContact CZ2-CZ 4.29Å
584	K	97.2	Very high	94.9	Very high	11 Å²	11	60.9 Å²	60.9	5%	0.048	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	138.1	-178	-64.3	158.3	-170.1	173.1	0	109.3	E582 R591 V592 E615 E617	E582-K584 WeakPolarHBondContact OE2-CE 3.44Å; E582-K584 IonicContact OE2-NZ 2.64Å; E582-K584 PolarHBondContact OE2-NZ 3.01Å; K584-R591 VanDerWaalsContact CD-NH2 3.28Å; K584-V592 WeakPolarHBondContact CA-O 3.36Å; K584-E615 HydrophobicContact CB-CG 3.78Å; K584-E615 PolarHBondContact N-O 3.32Å; K584-E615 PolarHBondContact O-N 2.89Å; K584-E617 IonicContact NZ-OE1 2.72Å; K584-E617 PolarHBondContact NZ-OE1 2.77Å; K584-E617 IonicContact NZ-OE2 2.79Å; K584-E617 PolarHBondContact NZ-OE2 2.87Å
585	L	97.2	Very high	94.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.8	166.8	-175	62.9	0	0	0	108.1	I567 I569 R591 V592 L594 Y603 F606 V612 I613 L614	I567-L585 HydrophobicContact CD1-CD1 4.08Å; I567-L585 HydrophobicContact CD1-CD2 4.03Å; I567-L585 HydrophobicContact CG1-CD2 4.38Å; I567-L585 HydrophobicContact CG2-CD2 3.71Å; I569-L585 HydrophobicContact CD1-CD1 3.71Å; I569-L585 HydrophobicContact CD1-CD2 3.69Å; I569-L585 HydrophobicContact CD1-CG 4.22Å; L585-R591 CarbonylContact O-C 3.55Å; L585-R591 VanDerWaalsContact O-CA 3.31Å; L585-R591 WeakPolarHBondContact O-CA 3.42Å; L585-V592 PolarHBondContact N-O 2.83Å; L585-V592 PolarHBondContact O-N 2.83Å; L585-L594 HydrophobicContact CB-CD1 4.12Å; L585-L594 HydrophobicContact CB-CD2 4.05Å; L585-L594 HydrophobicContact CB-CG 4.25Å; L585-Y603 HydrophobicContact CD2-CD2 4.18Å; L585-Y603 HydrophobicContact CD2-CG 4.49Å; L585-F606 HydrophobicContact CB-CE2 4.35Å; L585-F606 HydrophobicContact CB-CZ 3.92Å; L585-F606 HydrophobicContact CD2-CD2 3.85Å; L585-F606 HydrophobicContact CD2-CE1 4.46Å; L585-F606 HydrophobicContact CD2-CE2 3.31Å; L585-F606 HydrophobicContact CD2-CZ 3.66Å; L585-F606 HydrophobicContact CG-CD2 4.44Å; L585-F606 HydrophobicContact CG-CE1 4.05Å; L585-F606 HydrophobicContact CG-CE2 3.75Å; L585-F606 HydrophobicContact CG-CZ 3.51Å; L585-F606 WeakPolarHBondContact O-CZ 3.4Å; L585-V612 HydrophobicContact CD1-CB 4.39Å; L585-I613 WeakPolarHBondContact CA-O 3.23Å; L585-L614 HydrophobicContact CD1-CB 4.18Å
586	R	95.8	Very high	94.5	Very high	85 Å²	85	57.7 Å²	57.7	32%	0.321	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	148.1	-177.8	63.4	-179.9	174.2	87.8	5.1	113.4	A590 R591 V612 I613 E615	R586-A590 CarbonylContact C-O 3.56Å; R586-A590 WeakPolarHBondContact CA-O 3.32Å; R586-R591 HydrophobicContact CB-CB 4.27Å; R586-R591 HydrophobicContact CB-CG 4.27Å; R586-V612 CarbonylContact O-C 3.59Å; R586-V612 WeakPolarHBondContact O-CA 3.36Å; R586-I613 HydrophobicContact CG-CB 4.1Å; R586-I613 PolarHBondContact N-O 2.57Å; R586-I613 PolarHBondContact O-N 2.96Å; R586-E615 VanDerWaalsContact CD-OE1 3.29Å; R586-E615 WeakPolarHBondContact CD-OE1 3.35Å; R586-E615 IonicContact CZ-OE1 3.07Å; R586-E615 IonicContact CZ-OE2 3.37Å; R586-E615 IonicContact NE-OE1 3.38Å; R586-E615 PolarHBondContact NE-OE1 2.89Å; R586-E615 IonicContact NE-OE2 3.38Å; R586-E615 PolarHBondContact NE-OE2 2.78Å; R586-E615 IonicContact NH2-OE2 2.82Å; R586-E615 PolarHBondContact NH2-OE2 2.82Å
587	S	91.6	Very high	94.4	Very high	18 Å²	18	57.7 Å²	57.7	13%	0.126	30%	0.3	C	S	.	.			trans	-118.4	-166.8	161.6	62.4	0	0	0	0	109	T589 A590 E611	S587-T589 PolarHBondContact OG-N 3.5Å; S587-T589 PolarHBondContact OG-OG1 2.92Å; S587-A590 PolarHBondContact N-O 2.85Å; S587-A590 PolarHBondContact OG-N 2.78Å; S587-E611 VanDerWaalsContact CB-O 3.3Å; S587-E611 WeakPolarHBondContact CB-O 3.38Å
588	D	83.9	Confident	94.3	Very high	116 Å²	116	53.9 Å²	53.9	62%	0.62	28%	0.284	S	S	*	.	S	Bend	trans	-65.4	-26.5	168.6	58.1	-12.8	0	0	0	113.5
589	T	82.8	Confident	94.3	Very high	112 Å²	112	55.2 Å²	55.2	69%	0.687	29%	0.289	S	S	*	.	S	Bend	trans	-118.4	-21.4	-165.8	40.4	0	0	0	0	113.8	S587	S587-T589 PolarHBondContact OG-N 3.5Å; S587-T589 PolarHBondContact OG-OG1 2.92Å
590	A	91.6	Very high	94.2	Very high	22 Å²	22	58.6 Å²	58.6	18%	0.182	31%	0.305	C	S	.	.			trans	-138.4	153.2	-176.8	0	0	0	0	0	112.2	R586 S587 D605 F606	R586-A590 CarbonylContact C-O 3.56Å; R586-A590 WeakPolarHBondContact CA-O 3.32Å; S587-A590 PolarHBondContact N-O 2.85Å; S587-A590 PolarHBondContact OG-N 2.78Å; A590-D605 HydrophobicContact CB-CB 4.21Å; A590-D605 VanDerWaalsContact CB-O 3.3Å; A590-D605 WeakPolarHBondContact CB-O 3.28Å; A590-F606 HydrophobicContact CB-CD1 4.02Å; A590-F606 HydrophobicContact CB-CE1 3.87Å; A590-F606 HydrophobicContact CB-CZ 4.48Å
591	R	94.9	Very high	94.1	Very high	147 Å²	147	59.6 Å²	59.6	56%	0.555	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.5	131.8	171.8	177.7	174.7	167.6	-172.4	-11.1	109.9	K584 L585 R586	K584-R591 VanDerWaalsContact CD-NH2 3.28Å; L585-R591 CarbonylContact O-C 3.55Å; L585-R591 VanDerWaalsContact O-CA 3.31Å; L585-R591 WeakPolarHBondContact O-CA 3.42Å; R586-R591 HydrophobicContact CB-CB 4.27Å; R586-R591 HydrophobicContact CB-CG 4.27Å
592	V	95.5	Very high	94	Very high	29 Å²	29	62.5 Å²	62.5	18%	0.176	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.6	179.3	-177.7	0	0	0	0	109.4	K584 L585 Y603 D605 F606	K584-V592 WeakPolarHBondContact CA-O 3.36Å; L585-V592 PolarHBondContact N-O 2.83Å; L585-V592 PolarHBondContact O-N 2.83Å; V592-Y603 HydrophobicContact CB-CD1 4.38Å; V592-Y603 HydrophobicContact CG1-CD1 3.73Å; V592-Y603 HydrophobicContact CG1-CE1 3.61Å; V592-D605 HydrophobicContact CG2-CB 4.1Å; V592-F606 HydrophobicContact CB-CE2 4.32Å; V592-F606 HydrophobicContact CB-CZ 4.13Å; V592-F606 HydrophobicContact CG2-CE2 3.85Å; V592-F606 HydrophobicContact CG2-CZ 3.79Å
593	E	95.4	Very high	93.8	Very high	143 Å²	143	59.8 Å²	59.8	67%	0.668	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	138.1	170.6	-66.8	-177.4	176.6	0	0	109.7	W583	W583-E593 WeakPolarHBondContact O-CA 3.36Å
594	L	94.8	Very high	93.5	Very high	17 Å²	17	63 Å²	63	9%	0.089	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	156.6	-178.1	-43.6	168.3	0	0	0	110.3	I569 W583 L585 Y603 L614	I569-L594 HydrophobicContact CD1-CD1 4.21Å; I569-L594 HydrophobicContact CG2-CD1 4.33Å; W583-L594 HydrophobicContact CB-CB 3.74Å; W583-L594 HydrophobicContact CB-CD1 4.29Å; W583-L594 HydrophobicContact CB-CG 4.37Å; W583-L594 PolarHBondContact O-N 3.38Å; L585-L594 HydrophobicContact CB-CD1 4.12Å; L585-L594 HydrophobicContact CB-CD2 4.05Å; L585-L594 HydrophobicContact CB-CG 4.25Å; L594-Y603 HydrophobicContact CD2-CD2 4.27Å; L594-Y603 HydrophobicContact CD2-CE1 3.84Å; L594-Y603 HydrophobicContact CD2-CE2 3.43Å; L594-Y603 VanDerWaalsContact CD2-CE2 3.43Å; L594-Y603 WeakPolarHBondContact CD2-OH 3.35Å; L594-L614 HydrophobicContact CD1-CD1 3.22Å
595	T	92.1	Very high	93.3	Very high	75 Å²	75	67.2 Å²	67.2	46%	0.46	37%	0.366	S	S	.	.			trans	-98.3	136.2	168.3	51.5	0	0	0	0	110.4	D597 H601	T595-D597 PolarHBondContact O-N 2.81Å; T595-D597 VanDerWaalsContact OG1-CG 3.28Å; T595-D597 PolarHBondContact OG1-OD1 3.36Å; T595-H601 PolarHBondContact OG1-NE2 3.14Å
596	G	93.7	Very high	93.1	Very high	16 Å²	16	67.2 Å²	67.2	17%	0.165	37%	0.366	C	S	.	.			trans	-85.5	47.8	169.9	0	0	0	0	0	112.3	T571 T572 S573	T571-G596 CarbonylContact O-C 3.59Å; T571-G596 VanDerWaalsContact O-C 3.28Å; T571-G596 WeakPolarHBondContact O-CA 3.36Å; T572-G596 WeakPolarHBondContact CA-O 3.37Å; S573-G596 PolarHBondContact N-O 3.45Å
597	D	94.6	Very high	93	Very high	67 Å²	67	66.5 Å²	66.5	36%	0.358	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-94.5	6.7	-172.1	68.5	-29.4	0	0	0	113.7	T571 T595 N599 H601	T571-D597 PolarHBondContact O-N 3.15Å; T595-D597 PolarHBondContact O-N 2.81Å; T595-D597 VanDerWaalsContact OG1-CG 3.28Å; T595-D597 PolarHBondContact OG1-OD1 3.36Å; D597-N599 PolarHBondContact O-N 3.05Å; D597-N599 PolarHBondContact OD1-N 3.11Å; D597-N599 PolarHBondContact OD2-ND2 3.31Å; D597-H601 IonicContact OD1-CD2 3.43Å; D597-H601 IonicContact OD1-NE2 3.74Å; D597-H601 PolarHBondContact OD1-NE2 2.83Å; D597-H601 IonicContact OD2-CE1 3.28Å; D597-H601 IonicContact OD2-NE2 2.74Å; D597-H601 PolarHBondContact OD2-NE2 2.57Å
598	N	94.5	Very high	93	Very high	46 Å²	46	67.6 Å²	67.6	25%	0.246	39%	0.388	C	S	.	.	S	Bend	trans	62.4	20.4	-177.5	-157.2	33.6	0	0	0	114.4	R570 T571 E642	R570-N598 WeakPolarHBondContact CD-O 3.13Å; R570-N598 WeakPolarHBondContact CD-OD1 3.5Å; T571-N598 WeakPolarHBondContact O-CA 3.49Å; T571-N598 PolarHBondContact O-N 2.58Å; N598-E642 PolarHBondContact ND2-OE1 2.71Å
599	N	94.9	Very high	93.5	Very high	91 Å²	91	62.2 Å²	62.2	49%	0.487	36%	0.36	S	S	.	.			trans	-101	150.6	170.8	-67	-51.9	0	0	0	111	R570 D597 H601	R570-N599 WeakPolarHBondContact CA-O 3.44Å; D597-N599 PolarHBondContact O-N 3.05Å; D597-N599 PolarHBondContact OD1-N 3.11Å; D597-N599 PolarHBondContact OD2-ND2 3.31Å; N599-H601 PolarHBondContact O-CD2 2.92Å; N599-H601 VanDerWaalsContact O-CD2 3.31Å
600	L	96	Very high	93.9	Very high	80 Å²	80	59 Å²	59	42%	0.419	34%	0.34	S	S	.	.			trans	-85.8	112.9	175.4	-175.4	68.1	0	0	0	109.6	R570 I648	R570-L600 HydrophobicContact CB-CB 4.26Å; R570-L600 HydrophobicContact CB-CD1 3.98Å; L600-I648 HydrophobicContact CD2-CD1 4.33Å
601	H	96.1	Very high	94	Very high	60 Å²	60	60.8 Å²	60.8	28%	0.278	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	143.3	178.7	-62.9	-77	0	0	0	110.3	S568 I569 T595 D597 N599 Y603	S568-H601 CarbonylContact C-O 3.5Å; S568-H601 WeakPolarHBondContact CA-O 3.45Å; I569-H601 PolarHBondContact N-O 2.84Å; I569-H601 PolarHBondContact O-N 2.84Å; T595-H601 PolarHBondContact OG1-NE2 3.14Å; D597-H601 IonicContact OD1-CD2 3.43Å; D597-H601 IonicContact OD1-NE2 3.74Å; D597-H601 PolarHBondContact OD1-NE2 2.83Å; D597-H601 IonicContact OD2-CE1 3.28Å; D597-H601 IonicContact OD2-NE2 2.74Å; D597-H601 PolarHBondContact OD2-NE2 2.57Å; N599-H601 PolarHBondContact O-CD2 2.92Å; N599-H601 VanDerWaalsContact O-CD2 3.31Å; H601-Y603 HydrophobicContact CB-CE2 3.76Å; H601-Y603 WeakPolarHBondContact CB-OH 3.02Å; H601-Y603 WeakPolarHBondContact O-CE2 3.42Å
602	S	95.6	Very high	94	Very high	85 Å²	85	53.8 Å²	53.8	59%	0.594	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.5	-178.9	-59.2	0	0	0	0	111.7	I567 S568	I567-S602 CarbonylContact O-C 3.49Å; I567-S602 WeakPolarHBondContact O-CA 3.24Å; S568-S602 PolarHBondContact OG-OG 3.48Å
603	Y	94	Very high	94	Very high	30 Å²	30	52.8 Å²	52.8	12%	0.118	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.4	-173.5	-51.7	-84.5	0	0	0	109.7	I567 L585 V592 L594 H601 F606	I567-Y603 HydrophobicContact CG2-CD2 4.49Å; I567-Y603 PolarHBondContact N-O 2.58Å; I567-Y603 VanDerWaalsContact N-O 3.11Å; I567-Y603 PolarHBondContact O-N 2.86Å; L585-Y603 HydrophobicContact CD2-CD2 4.18Å; L585-Y603 HydrophobicContact CD2-CG 4.49Å; V592-Y603 HydrophobicContact CB-CD1 4.38Å; V592-Y603 HydrophobicContact CG1-CD1 3.73Å; V592-Y603 HydrophobicContact CG1-CE1 3.61Å; L594-Y603 HydrophobicContact CD2-CD2 4.27Å; L594-Y603 HydrophobicContact CD2-CE1 3.84Å; L594-Y603 HydrophobicContact CD2-CE2 3.43Å; L594-Y603 VanDerWaalsContact CD2-CE2 3.43Å; L594-Y603 WeakPolarHBondContact CD2-OH 3.35Å; H601-Y603 HydrophobicContact CB-CE2 3.76Å; H601-Y603 WeakPolarHBondContact CB-OH 3.02Å; H601-Y603 WeakPolarHBondContact O-CE2 3.42Å; Y603-F606 HydrophobicContact CG-CE2 4.4Å
604	A	91.3	Very high	94.2	Very high	72 Å²	72	46 Å²	46	60%	0.595	28%	0.28	S	S	*	.			trans	-97.2	-9.2	176.7	0	0	0	0	0	112.3	F606 S607	A604-F606 PolarHBondContact O-N 2.87Å; A604-S607 WeakPolarHBondContact O-CB 3.43Å; A604-S607 PolarHBondContact O-N 2.8Å
605	D	92.4	Very high	94.3	Very high	100 Å²	100	46.4 Å²	46.4	54%	0.535	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.6	-178.2	-51.7	-106.3	0	0	0	113.4	A590 V592	A590-D605 HydrophobicContact CB-CB 4.21Å; A590-D605 VanDerWaalsContact CB-O 3.3Å; A590-D605 WeakPolarHBondContact CB-O 3.28Å; V592-D605 HydrophobicContact CG2-CB 4.1Å
606	F	93.3	Very high	94.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	7.2	-177.8	-53.8	-81.1	0	0	0	112.9	I564 I567 L585 A590 V592 Y603 A604 G608 A609 V612	I564-F606 WeakPolarHBondContact CB-O 3.23Å; I564-F606 HydrophobicContact CG2-CB 4.22Å; I567-F606 HydrophobicContact CG2-CB 4.27Å; I567-F606 HydrophobicContact CG2-CD2 3.52Å; I567-F606 HydrophobicContact CG2-CE2 4.26Å; I567-F606 HydrophobicContact CG2-CG 4.14Å; L585-F606 HydrophobicContact CB-CE2 4.35Å; L585-F606 HydrophobicContact CB-CZ 3.92Å; L585-F606 HydrophobicContact CD2-CD2 3.85Å; L585-F606 HydrophobicContact CD2-CE1 4.46Å; L585-F606 HydrophobicContact CD2-CE2 3.31Å; L585-F606 HydrophobicContact CD2-CZ 3.66Å; L585-F606 HydrophobicContact CG-CD2 4.44Å; L585-F606 HydrophobicContact CG-CE1 4.05Å; L585-F606 HydrophobicContact CG-CE2 3.75Å; L585-F606 HydrophobicContact CG-CZ 3.51Å; L585-F606 WeakPolarHBondContact O-CZ 3.4Å; A590-F606 HydrophobicContact CB-CD1 4.02Å; A590-F606 HydrophobicContact CB-CE1 3.87Å; A590-F606 HydrophobicContact CB-CZ 4.48Å; V592-F606 HydrophobicContact CB-CE2 4.32Å; V592-F606 HydrophobicContact CB-CZ 4.13Å; V592-F606 HydrophobicContact CG2-CE2 3.85Å; V592-F606 HydrophobicContact CG2-CZ 3.79Å; Y603-F606 HydrophobicContact CG-CE2 4.4Å; A604-F606 PolarHBondContact O-N 2.87Å; F606-G608 PolarHBondContact O-N 2.85Å; F606-A609 VanDerWaalsContact O-CB 3.26Å; F606-A609 WeakPolarHBondContact O-CB 3.25Å; F606-A609 PolarHBondContact O-N 2.88Å; F606-V612 HydrophobicContact CB-CG1 4.02Å; F606-V612 HydrophobicContact CD1-CG1 3.73Å; F606-V612 HydrophobicContact CG-CG1 4.01Å
607	S	94.3	Very high	94.8	Very high	71 Å²	71	44.9 Å²	44.9	50%	0.497	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	128.6	176.3	-167.7	0	0	0	0	110.4	I564 D565 A604	I564-S607 CarbonylContact O-C 3.48Å; I564-S607 VanDerWaalsContact O-CA 3.32Å; I564-S607 WeakPolarHBondContact O-CA 3.37Å; D565-S607 WeakPolarHBondContact O-CB 3.46Å; D565-S607 PolarHBondContact O-OG 2.81Å; A604-S607 WeakPolarHBondContact O-CB 3.43Å; A604-S607 PolarHBondContact O-N 2.8Å
608	G	92.5	Very high	95	Very high	41 Å²	41	41.7 Å²	41.7	42%	0.423	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	-12.4	-174.9	0	0	0	0	0	115.4	I564 F606	I564-G608 PolarHBondContact O-N 2.87Å; F606-G608 PolarHBondContact O-N 2.85Å
609	A	93.4	Very high	95.1	Very high	3 Å²	3	41 Å²	41	3%	0.025	25%	0.247	C	C	.	.			trans	-70.4	145.4	177.6	0	0	0	0	0	111.6	I564 F606	I564-A609 WeakPolarHBondContact CB-O 3.33Å; I564-A609 HydrophobicContact CD1-CB 4.26Å; I564-A609 WeakPolarHBondContact CG1-O 3.34Å; I564-A609 PolarHBondContact N-O 2.8Å; F606-A609 VanDerWaalsContact O-CB 3.26Å; F606-A609 WeakPolarHBondContact O-CB 3.25Å; F606-A609 PolarHBondContact O-N 2.88Å
610	T	91.6	Very high	95.2	Very high	45 Å²	45	44.9 Å²	44.9	28%	0.276	25%	0.254	S	S	.	.	S	Bend	trans	-99.1	-10.5	175.7	53.2	0	0	0	0	113.2	C557 G558 L654	C557-T610 PolarHBondContact N-O 2.87Å; C557-T610 PolarHBondContact SG-O 2.8Å; G558-T610 PolarHBondContact N-O 3.39Å; T610-L654 HydrophobicContact CG2-CD1 3.66Å
611	E	92.4	Very high	95.1	Very high	58 Å²	58	41.9 Å²	41.9	27%	0.271	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	147.6	173.2	64.3	168.5	-135.7	0	0	111.8	K554 F555 E556 S587	K554-E611 WeakPolarHBondContact CE-OE2 3.15Å; K554-E611 IonicContact NZ-OE1 2.7Å; K554-E611 IonicContact NZ-OE2 3.63Å; K554-E611 PolarHBondContact NZ-OE2 3.05Å; F555-E611 CarbonylContact O-C 3.51Å; F555-E611 VanDerWaalsContact O-CA 3.24Å; F555-E611 WeakPolarHBondContact O-CA 3.31Å; E556-E611 HydrophobicContact CB-CB 4.49Å; E556-E611 HydrophobicContact CG-CB 4.37Å; S587-E611 VanDerWaalsContact CB-O 3.3Å; S587-E611 WeakPolarHBondContact CB-O 3.38Å
612	V	95.2	Very high	94.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	147.6	171.9	-73.7	0	0	0	0	110.9	F555 I564 I567 L585 R586 F606 I649	F555-V612 HydrophobicContact CB-CG2 3.89Å; F555-V612 HydrophobicContact CD2-CG2 4.31Å; F555-V612 HydrophobicContact CG-CG2 4.46Å; F555-V612 PolarHBondContact N-O 3.45Å; F555-V612 PolarHBondContact O-N 3.17Å; I564-V612 HydrophobicContact CD1-CB 4.05Å; I564-V612 HydrophobicContact CD1-CG1 3.39Å; I564-V612 HydrophobicContact CD1-CG2 3.62Å; I567-V612 HydrophobicContact CD1-CG2 3.94Å; L585-V612 HydrophobicContact CD1-CB 4.39Å; R586-V612 CarbonylContact O-C 3.59Å; R586-V612 WeakPolarHBondContact O-CA 3.36Å; F606-V612 HydrophobicContact CB-CG1 4.02Å; F606-V612 HydrophobicContact CD1-CG1 3.73Å; F606-V612 HydrophobicContact CG-CG1 4.01Å; V612-I649 HydrophobicContact CG2-CD1 4.16Å
613	I	97.1	Very high	94.6	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.046	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	120.1	179.7	-61.8	167.2	0	0	0	108.5	W553 K554 L585 R586	W553-I613 WeakPolarHBondContact O-CA 3.44Å; K554-I613 HydrophobicContact CB-CG1 4.19Å; K554-I613 HydrophobicContact CD-CD1 4.39Å; K554-I613 HydrophobicContact CD-CG1 4.31Å; K554-I613 HydrophobicContact CG-CG1 3.93Å; L585-I613 WeakPolarHBondContact CA-O 3.23Å; R586-I613 HydrophobicContact CG-CB 4.1Å; R586-I613 PolarHBondContact N-O 2.57Å; R586-I613 PolarHBondContact O-N 2.96Å
614	L	97.9	Very high	94.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	130.1	166.8	173.9	65.6	0	0	0	108.2	S552 W553 I569 W583 L585 L594 L645 I647	S552-L614 CarbonylContact C-O 3.58Å; S552-L614 WeakPolarHBondContact CA-O 3.49Å; S552-L614 WeakPolarHBondContact CB-O 3.32Å; W553-L614 HydrophobicContact CE3-CB 4.5Å; W553-L614 HydrophobicContact CE3-CD2 4.02Å; W553-L614 HydrophobicContact CE3-CG 4.09Å; W553-L614 PolarHBondContact N-O 3.34Å; W553-L614 PolarHBondContact O-N 3.27Å; I569-L614 HydrophobicContact CD1-CD1 3.96Å; I569-L614 HydrophobicContact CD1-CD2 4.36Å; I569-L614 HydrophobicContact CG2-CD1 4.49Å; I569-L614 HydrophobicContact CG2-CD2 4.29Å; W583-L614 HydrophobicContact CE3-CD1 3.86Å; W583-L614 HydrophobicContact CE3-CG 4.29Å; W583-L614 HydrophobicContact CZ3-CD1 4.17Å; W583-L614 HydrophobicContact CZ3-CD2 4.16Å; W583-L614 HydrophobicContact CZ3-CG 4.11Å; L585-L614 HydrophobicContact CD1-CB 4.18Å; L594-L614 HydrophobicContact CD1-CD1 3.22Å; L614-L645 HydrophobicContact CD2-CD1 3.78Å; L614-I647 HydrophobicContact CD2-CD1 3.74Å; L614-I647 HydrophobicContact CD2-CG1 4.33Å
615	E	97.2	Very high	94.1	Very high	26 Å²	26	47.2 Å²	47.2	12%	0.121	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	149.8	179.2	63.8	-161	179.9	0	0	112.6	I551 W583 K584 R586	I551-E615 CarbonylContact O-C 3.57Å; I551-E615 VanDerWaalsContact O-CA 3.23Å; I551-E615 WeakPolarHBondContact O-CA 3.47Å; W583-E615 WeakPolarHBondContact CA-O 3.47Å; K584-E615 HydrophobicContact CB-CG 3.78Å; K584-E615 PolarHBondContact N-O 3.32Å; K584-E615 PolarHBondContact O-N 2.89Å; R586-E615 VanDerWaalsContact CD-OE1 3.29Å; R586-E615 WeakPolarHBondContact CD-OE1 3.35Å; R586-E615 IonicContact CZ-OE1 3.07Å; R586-E615 IonicContact CZ-OE2 3.37Å; R586-E615 IonicContact NE-OE1 3.38Å; R586-E615 PolarHBondContact NE-OE1 2.89Å; R586-E615 IonicContact NE-OE2 3.38Å; R586-E615 PolarHBondContact NE-OE2 2.78Å; R586-E615 IonicContact NH2-OE2 2.82Å; R586-E615 PolarHBondContact NH2-OE2 2.82Å
616	A	98.1	Very high	94	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.8	172.6	0	0	0	0	0	110	Y550 I551 E582 W583 L618 L632	Y550-A616 WeakPolarHBondContact CA-O 3.26Å; I551-A616 HydrophobicContact CG2-CB 3.86Å; I551-A616 PolarHBondContact N-O 3.32Å; I551-A616 PolarHBondContact O-N 2.56Å; E582-A616 WeakPolarHBondContact O-CA 3.4Å; W583-A616 HydrophobicContact CD2-CB 3.79Å; W583-A616 HydrophobicContact CE3-CB 3.7Å; W583-A616 HydrophobicContact CH2-CB 3.86Å; W583-A616 HydrophobicContact CZ2-CB 3.97Å; W583-A616 HydrophobicContact CZ3-CB 3.75Å; A616-L618 HydrophobicContact CB-CD1 4.33Å; A616-L632 HydrophobicContact CB-CD1 4.04Å; A616-L632 HydrophobicContact CB-CD2 4.18Å
617	E	98.1	Very high	94	Very high	59 Å²	59	44.4 Å²	44.4	28%	0.276	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.1	173.8	-70.9	172.3	-149.9	0	0	109.8	F548 I581 E582 K584	F548-E617 HydrophobicContact CE2-CB 4.1Å; F548-E617 HydrophobicContact CE2-CG 4.23Å; F548-E617 HydrophobicContact CZ-CB 4.43Å; F548-E617 HydrophobicContact CZ-CG 4.11Å; I581-E617 VanDerWaalsContact CA-O 3.3Å; I581-E617 WeakPolarHBondContact CA-O 3.09Å; E582-E617 PolarHBondContact N-O 2.96Å; E582-E617 PolarHBondContact O-N 3.35Å; K584-E617 IonicContact NZ-OE1 2.72Å; K584-E617 PolarHBondContact NZ-OE1 2.77Å; K584-E617 IonicContact NZ-OE2 2.79Å; K584-E617 PolarHBondContact NZ-OE2 2.87Å
618	L	98.3	Very high	94	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.8	-177.1	-62.2	73.6	0	0	0	108.9	I527 R542 F548 A549 I581 A616 T630 L632	I527-L618 HydrophobicContact CD1-CD1 3.87Å; I527-L618 HydrophobicContact CD1-CD2 3.8Å; I527-L618 HydrophobicContact CD1-CG 4.42Å; R542-L618 WeakPolarHBondContact CD-O 3.32Å; R542-L618 HydrophobicContact CG-CB 3.77Å; R542-L618 HydrophobicContact CG-CD2 3.97Å; F548-L618 WeakPolarHBondContact CA-O 3.3Å; A549-L618 HydrophobicContact CB-CB 4.29Å; A549-L618 PolarHBondContact N-O 3.26Å; A549-L618 PolarHBondContact O-N 2.88Å; I581-L618 HydrophobicContact CG1-CG 4.26Å; A616-L618 HydrophobicContact CB-CD1 4.33Å; L618-T630 HydrophobicContact CB-CG2 4.45Å; L618-L632 HydrophobicContact CD1-CD1 4.15Å; L618-L632 HydrophobicContact CD1-CD2 4.28Å; L618-L632 HydrophobicContact CD1-CG 4.41Å; L618-L632 HydrophobicContact CD2-CD2 4.36Å; L618-L632 HydrophobicContact CD2-CG 4.17Å; L618-L632 HydrophobicContact CG-CD2 4.35Å
619	S	97.4	Very high	94.3	Very high	32 Å²	32	41.9 Å²	41.9	22%	0.224	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	179.1	-177.7	69	0	0	0	0	113	R542 T580 T630	R542-S619 PolarHBondContact NH1-O 2.8Å; T580-S619 PolarHBondContact N-O 3.26Å; T580-S619 PolarHBondContact O-N 3.34Å; S619-T630 WeakPolarHBondContact O-CG2 3.38Å
620	R	97.1	Very high	94.5	Very high	171 Å²	171	41.7 Å²	41.7	65%	0.645	23%	0.23	S	C	*	.			trans	60.1	-154.2	179.7	-53.2	-170.5	-176.7	-170.8	-1.2	113.2	R542 T578 T580	R542-R620 PolarHBondContact NH1-O 3.01Å; R542-R620 PolarHBondContact NH2-O 3.44Å; T578-R620 WeakPolarHBondContact O-CB 3.15Å; T578-R620 WeakPolarHBondContact O-CD 3.46Å; T580-R620 WeakPolarHBondContact OG1-CD 3.37Å
621	G	94.9	Very high	94.8	Very high	17 Å²	17	39.9 Å²	39.9	18%	0.175	22%	0.218	C	C	.	.			trans	95.4	162.5	-169.6	0	0	0	0	0	111.6	T578 A626	T578-G621 VanDerWaalsContact OG1-C 3.32Å; T578-G621 WeakPolarHBondContact OG1-CA 3.41Å; T578-G621 PolarHBondContact OG1-N 3.4Å; G621-A626 VanDerWaalsContact C-CB 3.43Å
622	D	91.1	Very high	95.1	Very high	74 Å²	74	37.1 Å²	37.1	40%	0.396	21%	0.205	S	C	.	.			trans	-120.5	135	-167	-57.3	-30.9	0	0	0	111.1	Q577 T578 A626 H629	Q577-D622 WeakPolarHBondContact CB-OD2 3.33Å; T578-D622 VanDerWaalsContact CG2-OD1 3.29Å; T578-D622 WeakPolarHBondContact CG2-OD1 3.34Å; T578-D622 WeakPolarHBondContact CG2-OD2 3.4Å; T578-D622 PolarHBondContact OG1-OD1 3.37Å; D622-A626 PolarHBondContact O-N 2.89Å; D622-H629 PolarHBondContact N-ND1 2.83Å; D622-H629 VanDerWaalsContact N-ND1 3.17Å; D622-H629 PolarHBondContact O-CE1 2.85Å; D622-H629 VanDerWaalsContact O-CE1 3.29Å
623	G	90	Very high	95.2	Very high	65 Å²	65	37.1 Å²	37.1	67%	0.67	21%	0.205	S	C	*	.	S	Bend	trans	67.1	-162.9	174	0	0	0	0	0	114.9	V625 A626	G623-V625 PolarHBondContact O-N 3.19Å; G623-A626 VanDerWaalsContact O-CB 3.25Å; G623-A626 WeakPolarHBondContact O-CB 3.32Å; G623-A626 PolarHBondContact O-N 3.24Å; G623-A626 VanDerWaalsContact O-N 3.1Å
624	D	83.9	Confident	95.2	Very high	152 Å²	152	39.4 Å²	39.4	81%	0.813	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.5	-175.6	-58.9	-26.5	0	0	0	112.7	W627	D624-W627 VanDerWaalsContact O-CD1 3.31Å
625	V	90.5	Very high	95.1	Very high	68 Å²	68	40.1 Å²	40.1	41%	0.412	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	8.6	177.8	-66.8	0	0	0	0	113.6	G623 W627 Q628 H629	G623-V625 PolarHBondContact O-N 3.19Å; V625-W627 PolarHBondContact O-N 3.39Å; V625-Q628 HydrophobicContact CB-CG 4.24Å; V625-Q628 WeakPolarHBondContact O-CG 3.37Å; V625-Q628 PolarHBondContact O-N 3.15Å; V625-Q628 VanDerWaalsContact O-N 3.11Å; V625-H629 PolarHBondContact O-CD2 3.38Å; V625-H629 VanDerWaalsContact O-CD2 3.27Å; V625-H629 PolarHBondContact O-NE2 2.97Å
626	A	90.6	Very high	94.9	Very high	16 Å²	16	40.8 Å²	40.8	13%	0.132	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-53.4	-29.6	179.8	0	0	0	0	0	113.6	R542 G621 D622 G623 Q628 H629	R542-A626 PolarHBondContact NH2-O 3.44Å; G621-A626 VanDerWaalsContact C-CB 3.43Å; D622-A626 PolarHBondContact O-N 2.89Å; G623-A626 VanDerWaalsContact O-CB 3.25Å; G623-A626 WeakPolarHBondContact O-CB 3.32Å; G623-A626 PolarHBondContact O-N 3.24Å; G623-A626 VanDerWaalsContact O-N 3.1Å; A626-Q628 VanDerWaalsContact C-N 3.27Å; A626-Q628 PolarHBondContact O-N 2.93Å; A626-H629 WeakPolarHBondContact O-CB 3.25Å; A626-H629 PolarHBondContact O-N 3.12Å; A626-H629 VanDerWaalsContact O-N 3.16Å
627	W	91.8	Very high	94.4	Very high	25 Å²	25	42.7 Å²	42.7	10%	0.095	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-61.3	-30.8	-178.7	68.3	-95.9	0	0	0	113.9	F528 K530 A541 R542 K543 E544 D624 V625	F528-W627 AromaticContact CE1-CE3 3.65Å; F528-W627 HydrophobicContact CE1-CE3 3.65Å; F528-W627 HydrophobicContact CE1-CH2 4.43Å; F528-W627 AromaticContact CE1-CZ3 3.51Å; F528-W627 HydrophobicContact CE1-CZ3 3.51Å; F528-W627 AromaticContact CZ-CE3 3.96Å; F528-W627 HydrophobicContact CZ-CE3 3.96Å; F528-W627 AromaticContact CZ-CH2 3.88Å; F528-W627 HydrophobicContact CZ-CH2 3.88Å; F528-W627 AromaticContact CZ-CZ3 3.34Å; F528-W627 HydrophobicContact CZ-CZ3 3.34Å; K530-W627 HydrophobicContact CD-CH2 4.19Å; K530-W627 HydrophobicContact CG-CH2 4.22Å; K530-W627 HydrophobicContact CG-CZ3 4.31Å; A541-W627 HydrophobicContact CB-CE3 3.95Å; A541-W627 HydrophobicContact CB-CZ3 4Å; R542-W627 HydrophobicContact CB-CB 4.27Å; R542-W627 PolarHBondContact N-O 3.27Å; R542-W627 WeakPolarHBondContact O-CB 3.4Å; R542-W627 VanDerWaalsContact O-CE3 3.22Å; K543-W627 WeakPolarHBondContact O-CB 3.46Å; E544-W627 HydrophobicContact CB-CD2 4.49Å; E544-W627 HydrophobicContact CB-CG 4.19Å; E544-W627 HydrophobicContact CG-CG 4.47Å; D624-W627 VanDerWaalsContact O-CD1 3.31Å; V625-W627 PolarHBondContact O-N 3.39Å
628	Q	94.8	Very high	94	Very high	46 Å²	46	45.5 Å²	45.5	22%	0.215	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-95.7	1	178.8	62.9	178.3	0.5	0	0	113.5	V625 A626 T630 Q631	V625-Q628 HydrophobicContact CB-CG 4.24Å; V625-Q628 WeakPolarHBondContact O-CG 3.37Å; V625-Q628 PolarHBondContact O-N 3.15Å; V625-Q628 VanDerWaalsContact O-N 3.11Å; A626-Q628 VanDerWaalsContact C-N 3.27Å; A626-Q628 PolarHBondContact O-N 2.93Å; Q628-T630 PolarHBondContact O-N 2.93Å; Q628-Q631 WeakPolarHBondContact O-CG 3.41Å; Q628-Q631 PolarHBondContact O-NE2 3.13Å
629	H	97.9	Very high	93.5	Very high	13 Å²	13	47.8 Å²	47.8	6%	0.06	26%	0.263	C	S	.	.	S	Bend	trans	-77.1	-6.7	177	-67.9	-173.9	0	0	0	112.9	T575 F576 Q577 D622 V625 A626	T575-H629 CarbonylContact C-O 3.59Å; T575-H629 VanDerWaalsContact CA-O 3.26Å; T575-H629 WeakPolarHBondContact CA-O 3.5Å; F576-H629 HydrophobicContact CB-CB 4.45Å; F576-H629 PolarHBondContact N-O 3.33Å; F576-H629 WeakPolarHBondContact O-CB 3.46Å; Q577-H629 PolarHBondContact OE1-CD2 3.18Å; Q577-H629 PolarHBondContact OE1-CE1 3.03Å; Q577-H629 PolarHBondContact OE1-ND1 3.2Å; Q577-H629 VanDerWaalsContact OE1-ND1 3.14Å; Q577-H629 PolarHBondContact OE1-NE2 3.31Å; Q577-H629 VanDerWaalsContact OE1-NE2 3.1Å; D622-H629 PolarHBondContact N-ND1 2.83Å; D622-H629 VanDerWaalsContact N-ND1 3.17Å; D622-H629 PolarHBondContact O-CE1 2.85Å; D622-H629 VanDerWaalsContact O-CE1 3.29Å; V625-H629 PolarHBondContact O-CD2 3.38Å; V625-H629 VanDerWaalsContact O-CD2 3.27Å; V625-H629 PolarHBondContact O-NE2 2.97Å; A626-H629 WeakPolarHBondContact O-CB 3.25Å; A626-H629 PolarHBondContact O-N 3.12Å; A626-H629 VanDerWaalsContact O-N 3.16Å
630	T	97.9	Very high	92.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	106.3	175.9	50.9	0	0	0	0	108.7	R542 T580 I581 L618 S619 Q628	R542-T630 WeakPolarHBondContact CG-OG1 3.45Å; R542-T630 PolarHBondContact NH1-OG1 3.41Å; T580-T630 WeakPolarHBondContact O-CG2 3.47Å; I581-T630 HydrophobicContact CD1-CG2 4.5Å; I581-T630 HydrophobicContact CG1-CG2 3.9Å; L618-T630 HydrophobicContact CB-CG2 4.45Å; S619-T630 WeakPolarHBondContact O-CG2 3.38Å; Q628-T630 PolarHBondContact O-N 2.93Å
631	Q	98.3	Very high	91.9	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.028	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.4	-172.7	-55.5	-175.5	2.5	0	0	110.2	Y539 L540 S573 Q574 F576 Q628 R634	Y539-Q631 HydrophobicContact CD2-CB 3.87Å; Y539-Q631 HydrophobicContact CD2-CG 3.6Å; Y539-Q631 HydrophobicContact CE2-CG 3.8Å; Y539-Q631 HydrophobicContact CG-CB 3.98Å; Y539-Q631 HydrophobicContact CG-CG 4.05Å; L540-Q631 CarbonylContact O-C 3.59Å; L540-Q631 WeakPolarHBondContact O-CA 3.35Å; S573-Q631 CarbonylContact C-O 3.46Å; S573-Q631 VanDerWaalsContact CA-O 3.31Å; S573-Q631 WeakPolarHBondContact CA-O 3.49Å; Q574-Q631 PolarHBondContact N-O 3.37Å; Q574-Q631 PolarHBondContact O-N 2.8Å; F576-Q631 HydrophobicContact CE2-CG 4.34Å; Q628-Q631 WeakPolarHBondContact O-CG 3.41Å; Q628-Q631 PolarHBondContact O-NE2 3.13Å; Q631-R634 HydrophobicContact CB-CB 4.31Å
632	L	98.4	Very high	91.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	145.1	168.4	-44.1	177.3	0	0	0	108.9	Y539 L540 I551 I581 W583 A616 L618 R634	Y539-L632 WeakPolarHBondContact CA-O 3.41Å; Y539-L632 WeakPolarHBondContact CB-O 3.33Å; L540-L632 HydrophobicContact CB-CB 4.18Å; L540-L632 PolarHBondContact N-O 3.27Å; L540-L632 PolarHBondContact O-N 2.79Å; I551-L632 HydrophobicContact CG2-CD1 3.56Å; I581-L632 HydrophobicContact CD1-CD2 3.98Å; I581-L632 HydrophobicContact CG1-CD2 4.44Å; I581-L632 HydrophobicContact CG2-CD2 3.62Å; W583-L632 HydrophobicContact CH2-CD1 4.35Å; W583-L632 HydrophobicContact CZ2-CB 4.42Å; W583-L632 HydrophobicContact CZ2-CD1 4.26Å; W583-L632 HydrophobicContact CZ2-CD2 3.69Å; W583-L632 HydrophobicContact CZ2-CG 4.34Å; A616-L632 HydrophobicContact CB-CD1 4.04Å; A616-L632 HydrophobicContact CB-CD2 4.18Å; L618-L632 HydrophobicContact CD1-CD1 4.15Å; L618-L632 HydrophobicContact CD1-CD2 4.28Å; L618-L632 HydrophobicContact CD1-CG 4.41Å; L618-L632 HydrophobicContact CD2-CD2 4.36Å; L618-L632 HydrophobicContact CD2-CG 4.17Å; L618-L632 HydrophobicContact CG-CD2 4.35Å; L632-R634 VanDerWaalsContact C-N 3.25Å; L632-R634 PolarHBondContact O-N 2.79Å
633	F	97.6	Very high	91.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	59.8	32.6	170.6	-44.3	-42.7	0	0	0	114	Y497 I499 L540 W553 T571 T572 W583 Q635 C644 L645	Y497-F633 HydrophobicContact CD1-CD2 4.19Å; Y497-F633 HydrophobicContact CD1-CE2 4.25Å; Y497-F633 HydrophobicContact CE1-CD2 4.02Å; Y497-F633 HydrophobicContact CE1-CE2 4.38Å; I499-F633 HydrophobicContact CB-CB 3.92Å; I499-F633 HydrophobicContact CD1-CB 4.49Å; I499-F633 HydrophobicContact CG1-CB 4.08Å; I499-F633 HydrophobicContact CG2-CB 4.1Å; I499-F633 WeakPolarHBondContact CG2-O 3.35Å; L540-F633 HydrophobicContact CD1-CD2 3.72Å; L540-F633 HydrophobicContact CD1-CE2 3.74Å; L540-F633 HydrophobicContact CG-CD2 4Å; W553-F633 AromaticContact CH2-CE2 3.99Å; W553-F633 HydrophobicContact CH2-CE2 3.99Å; W553-F633 AromaticContact CH2-CZ 3.8Å; W553-F633 HydrophobicContact CH2-CZ 3.8Å; W553-F633 HydrophobicContact CZ2-CE2 4.14Å; W553-F633 HydrophobicContact CZ2-CZ 4.17Å; T571-F633 WeakPolarHBondContact OG1-CE1 3.37Å; T572-F633 HydrophobicContact CG2-CD1 4.17Å; T572-F633 PolarHBondContact O-N 2.78Å; W583-F633 AromaticContact CH2-CE1 3.87Å; W583-F633 HydrophobicContact CH2-CE1 3.87Å; W583-F633 AromaticContact CH2-CZ 3.72Å; W583-F633 HydrophobicContact CH2-CZ 3.72Å; W583-F633 HydrophobicContact CZ2-CE1 4.08Å; W583-F633 HydrophobicContact CZ2-CZ 4.29Å; F633-Q635 PolarHBondContact O-N 2.75Å; F633-Q635 VanDerWaalsContact O-N 3.14Å; F633-C644 HydrophobicContact CB-CB 3.74Å; F633-C644 HydrophobicContact CD1-CB 3.88Å; F633-C644 WeakPolarHBondContact CD1-O 3.14Å; F633-C644 HydrophobicContact CG-CB 4.05Å; F633-L645 HydrophobicContact CE1-CB 3.79Å; F633-L645 HydrophobicContact CZ-CB 4.01Å; F633-L645 HydrophobicContact CZ-CD2 4.12Å; F633-L645 HydrophobicContact CZ-CG 4.5Å
634	R	96.6	Very high	91.6	Very high	58 Å²	58	48.3 Å²	48.3	22%	0.219	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	116.2	-179.9	-169.3	-162.2	174.3	60.5	1.8	110.6	E532 M537 V538 Y539 Q574 Q631 L632	E532-R634 IonicContact OE2-CZ 3.97Å; E532-R634 IonicContact OE2-NH1 3.27Å; E532-R634 PolarHBondContact OE2-NH1 2.97Å; E532-R634 IonicContact OE2-NH2 3.3Å; M537-R634 HydrophobicContact CE-CG 3.57Å; V538-R634 WeakPolarHBondContact O-CA 3.12Å; Y539-R634 HydrophobicContact CD1-CG 3.94Å; Y539-R634 HydrophobicContact CG-CG 4.44Å; Q574-R634 HydrophobicContact CB-CB 4.45Å; Q631-R634 HydrophobicContact CB-CB 4.31Å; L632-R634 VanDerWaalsContact C-N 3.25Å; L632-R634 PolarHBondContact O-N 2.79Å
635	Q	95.5	Very high	92.2	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.065	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.3	-174.9	-164.8	171.5	-5	0	0	110.6	I499 V500 M537 V538 F633 D639 E642	I499-Q635 HydrophobicContact CG2-CB 3.67Å; I499-Q635 HydrophobicContact CG2-CG 4.49Å; V500-Q635 HydrophobicContact CG2-CB 4.22Å; V500-Q635 HydrophobicContact CG2-CG 3.99Å; M537-Q635 WeakPolarHBondContact CA-O 3.49Å; M537-Q635 VanDerWaalsContact CE-C 3.46Å; M537-Q635 WeakPolarHBondContact CE-O 3.34Å; V538-Q635 PolarHBondContact N-O 2.81Å; V538-Q635 PolarHBondContact O-N 2.72Å; F633-Q635 PolarHBondContact O-N 2.75Å; F633-Q635 VanDerWaalsContact O-N 3.14Å; Q635-D639 HydrophobicContact CG-CB 4.18Å; Q635-D639 PolarHBondContact NE2-O 2.69Å; Q635-D639 PolarHBondContact NE2-OD2 3.42Å; Q635-E642 PolarHBondContact NE2-O 2.87Å
636	S	94.4	Very high	92.6	Very high	40 Å²	40	39.2 Å²	39.2	28%	0.28	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	140.4	171.8	-177.4	0	0	0	0	110.3	V500 H536 N638 D639	V500-S636 WeakPolarHBondContact CG2-O 3.37Å; H536-S636 CarbonylContact O-C 3.59Å; H536-S636 VanDerWaalsContact O-CA 3.31Å; H536-S636 WeakPolarHBondContact O-CA 3.46Å; H536-S636 PolarHBondContact O-OG 2.87Å; S636-N638 PolarHBondContact O-N 3.35Å; S636-N638 VanDerWaalsContact O-N 3.11Å; S636-N638 PolarHBondContact OG-N 3.39Å; S636-D639 PolarHBondContact O-N 3.44Å
637	L	88.1	Confident	93	Very high	40 Å²	40	38.4 Å²	38.4	21%	0.209	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.5	174.4	-71.2	172	0	0	0	113.3	V500 V531 H536 V538 D639 H640	V500-L637 WeakPolarHBondContact CG1-O 3.43Å; V531-L637 HydrophobicContact CG1-CD1 3.71Å; V531-L637 HydrophobicContact CG1-CD2 4.25Å; V531-L637 HydrophobicContact CG1-CG 4.5Å; H536-L637 HydrophobicContact CB-CB 4.46Å; H536-L637 HydrophobicContact CB-CD1 4.49Å; H536-L637 PolarHBondContact O-N 2.9Å; V538-L637 HydrophobicContact CB-CD2 3.79Å; V538-L637 HydrophobicContact CB-CG 4.48Å; V538-L637 HydrophobicContact CG1-CD2 3.86Å; L637-D639 VanDerWaalsContact C-N 3.35Å; L637-H640 PolarHBondContact O-CE1 3.19Å; L637-H640 PolarHBondContact O-NE2 2.81Å
638	N	88.2	Confident	93.3	Very high	118 Å²	118	38.5 Å²	38.5	63%	0.631	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-12.8	178.6	-62.4	-32.7	0	0	0	113.1	S636 H640	S636-N638 PolarHBondContact O-N 3.35Å; S636-N638 VanDerWaalsContact O-N 3.11Å; S636-N638 PolarHBondContact OG-N 3.39Å; N638-H640 PolarHBondContact O-N 2.86Å
639	D	87.4	Confident	93.4	Very high	49 Å²	49	36.3 Å²	36.3	26%	0.262	18%	0.18	S	C	.	.			trans	-96.8	92.2	-179.1	176.8	16.8	0	0	0	110.3	V500 Q635 S636 L637 E642	V500-D639 WeakPolarHBondContact CG2-O 3.19Å; Q635-D639 HydrophobicContact CG-CB 4.18Å; Q635-D639 PolarHBondContact NE2-O 2.69Å; Q635-D639 PolarHBondContact NE2-OD2 3.42Å; S636-D639 PolarHBondContact O-N 3.44Å; L637-D639 VanDerWaalsContact C-N 3.35Å; D639-E642 PolarHBondContact OD1-N 3.01Å; D639-E642 VanDerWaalsContact OD2-CB 3.31Å; D639-E642 WeakPolarHBondContact OD2-CB 3.38Å
640	H	80.8	Confident	93.4	Very high	92 Å²	92	40.4 Å²	40.4	43%	0.426	20%	0.198	S	C	.	.			trans	-89	-13.9	-173.5	-64.5	-60.2	0	0	0	114	N498 V500 K501 L637 N638	N498-H640 PolarHBondContact ND2-O 3.02Å; V500-H640 VanDerWaalsContact CG1-ND1 3.34Å; V500-H640 WeakPolarHBondContact CG1-ND1 3.33Å; K501-H640 WeakPolarHBondContact CD-O 3.31Å; K501-H640 WeakPolarHBondContact CE-O 3.26Å; K501-H640 PolarHBondContact NZ-O 3.35Å; L637-H640 PolarHBondContact O-CE1 3.19Å; L637-H640 PolarHBondContact O-NE2 2.81Å; N638-H640 PolarHBondContact O-N 2.86Å
641	E	81.3	Confident	93.3	Very high	144 Å²	144	41 Å²	41	67%	0.673	20%	0.201	S	C	*	.	S	Bend	trans	-104.7	-24.1	-167	-63.3	-53.4	123.8	0	0	113.1	K501	K501-E641 IonicContact NZ-OE1 3.84Å; K501-E641 PolarHBondContact NZ-OE1 3.17Å; K501-E641 IonicContact NZ-OE2 3.65Å
642	E	85.3	Confident	93.2	Very high	86 Å²	86	42.6 Å²	42.6	40%	0.402	21%	0.212	S	C	.	.			trans	-77.1	130.7	-179.1	-166.6	175.4	168.2	0	0	112.3	N498 N598 Q635 D639	N498-E642 PolarHBondContact ND2-O 3.39Å; N598-E642 PolarHBondContact ND2-OE1 2.71Å; Q635-E642 PolarHBondContact NE2-O 2.87Å; D639-E642 PolarHBondContact OD1-N 3.01Å; D639-E642 VanDerWaalsContact OD2-CB 3.31Å; D639-E642 WeakPolarHBondContact OD2-CB 3.38Å
643	N	90.3	Very high	93	Very high	46 Å²	46	47.6 Å²	47.6	25%	0.246	24%	0.239	C	C	.	.			trans	-94.4	110.5	177.1	-70.4	-53.3	0	0	0	110.4	C496 R570 L645	C496-N643 HydrophobicContact CB-CB 4.11Å; R570-N643 PolarHBondContact NE-O 3.14Å; R570-N643 PolarHBondContact NH2-O 2.93Å; N643-L645 VanDerWaalsContact C-N 3.3Å; N643-L645 PolarHBondContact O-N 2.89Å
644	C	93.9	Very high	92.3	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.014	27%	0.27	C	S	.	.	S	Bend	trans	-70.5	-17.7	-177.6	60.7	0	0	0	0	115.4	Y497 I499 T572 F633	Y497-C644 VanDerWaalsContact CD1-SG 3.56Å; Y497-C644 PolarHBondContact O-N 3.42Å; Y497-C644 VanDerWaalsContact O-N 3.15Å; Y497-C644 PolarHBondContact O-SG 2.73Å; I499-C644 HydrophobicContact CG2-CB 4.29Å; I499-C644 PolarHBondContact N-SG 3.46Å; T572-C644 HydrophobicContact CG2-CB 3.84Å; T572-C644 PolarHBondContact N-O 3.38Å; F633-C644 HydrophobicContact CB-CB 3.74Å; F633-C644 HydrophobicContact CD1-CB 3.88Å; F633-C644 WeakPolarHBondContact CD1-O 3.14Å; F633-C644 HydrophobicContact CG-CB 4.05Å
645	L	97.6	Very high	92.1	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	131	171	171.9	70.5	0	0	0	108.6	C496 Y497 W553 R570 L614 F633 N643 I647	C496-L645 CarbonylContact C-O 3.48Å; C496-L645 VanDerWaalsContact CA-O 3.25Å; C496-L645 WeakPolarHBondContact CA-O 3.47Å; Y497-L645 PolarHBondContact N-O 2.81Å; Y497-L645 PolarHBondContact O-N 3.38Å; W553-L645 HydrophobicContact CD2-CD2 4.37Å; W553-L645 HydrophobicContact CZ2-CD2 4.09Å; R570-L645 WeakPolarHBondContact O-CA 3.33Å; L614-L645 HydrophobicContact CD2-CD1 3.78Å; F633-L645 HydrophobicContact CE1-CB 3.79Å; F633-L645 HydrophobicContact CZ-CB 4.01Å; F633-L645 HydrophobicContact CZ-CD2 4.12Å; F633-L645 HydrophobicContact CZ-CG 4.5Å; N643-L645 VanDerWaalsContact C-N 3.3Å; N643-L645 PolarHBondContact O-N 2.89Å; L645-I647 HydrophobicContact CD1-CD1 4.08Å; L645-I647 HydrophobicContact CD1-CG1 4.01Å; L645-I647 HydrophobicContact CD2-CD1 4.17Å; L645-I647 HydrophobicContact CG-CD1 4.19Å; L645-I647 HydrophobicContact CG-CG1 4.27Å
646	E	98.1	Very high	91.9	Very high	26 Å²	26	55.3 Å²	55.3	12%	0.121	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	129.9	174.3	174.8	168.8	-129.3	0	0	109.4	H494 L495 I569 R570 I648	H494-E646 IonicContact CD2-OE1 2.81Å; H494-E646 IonicContact CE1-OE1 3.85Å; H494-E646 PolarHBondContact CE1-OE1 3.17Å; H494-E646 IonicContact NE2-OE1 3.42Å; H494-E646 PolarHBondContact NE2-OE1 3.3Å; L495-E646 CarbonylContact O-C 3.46Å; L495-E646 WeakPolarHBondContact O-CA 3.13Å; I569-E646 CarbonylContact C-O 3.55Å; I569-E646 WeakPolarHBondContact CA-O 3.4Å; R570-E646 HydrophobicContact CB-CB 4.24Å; R570-E646 IonicContact CZ-OE2 2.75Å; R570-E646 PolarHBondContact N-O 2.91Å; R570-E646 IonicContact NE-OE2 2.71Å; R570-E646 IonicContact NH1-OE2 4Å; R570-E646 PolarHBondContact NH1-OE2 3.4Å; R570-E646 IonicContact NH2-OE2 2.69Å; R570-E646 PolarHBondContact NH2-OE2 3.26Å; R570-E646 PolarHBondContact O-N 3.39Å; E646-I648 HydrophobicContact CG-CD1 4.37Å; E646-I648 HydrophobicContact CG-CG1 4.27Å
647	I	98.1	Very high	91.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.8	-177.4	-58.3	167.4	0	0	0	107.6	H494 L495 F555 I567 S568 I569 L614 L645 I649	H494-I647 WeakPolarHBondContact CA-O 3.46Å; L495-I647 PolarHBondContact N-O 3.15Å; L495-I647 PolarHBondContact O-N 3.38Å; F555-I647 HydrophobicContact CE1-CG2 4.28Å; F555-I647 HydrophobicContact CE2-CD1 3.79Å; F555-I647 HydrophobicContact CE2-CG2 4.25Å; F555-I647 HydrophobicContact CZ-CB 4.37Å; F555-I647 HydrophobicContact CZ-CD1 3.44Å; F555-I647 VanDerWaalsContact CZ-CD1 3.44Å; F555-I647 HydrophobicContact CZ-CG1 4.49Å; F555-I647 HydrophobicContact CZ-CG2 3.95Å; I567-I647 HydrophobicContact CD1-CG2 4.39Å; S568-I647 WeakPolarHBondContact O-CA 3.46Å; I569-I647 HydrophobicContact CG2-CG1 4.5Å; L614-I647 HydrophobicContact CD2-CD1 3.74Å; L614-I647 HydrophobicContact CD2-CG1 4.33Å; L645-I647 HydrophobicContact CD1-CD1 4.08Å; L645-I647 HydrophobicContact CD1-CG1 4.01Å; L645-I647 HydrophobicContact CD2-CD1 4.17Å; L645-I647 HydrophobicContact CG-CD1 4.19Å; L645-I647 HydrophobicContact CG-CG1 4.27Å; I647-I649 HydrophobicContact CG2-CD1 4.26Å; I647-I649 HydrophobicContact CG2-CG1 3.99Å
648	I	98.3	Very high	92	Very high	26 Å²	26	57.1 Å²	57.1	13%	0.133	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.7	177.8	-56.4	166.9	0	0	0	107.5	Q492 L493 I567 S568 L600 E646	Q492-I648 HydrophobicContact CG-CG2 4.21Å; L493-I648 CarbonylContact O-C 3.58Å; L493-I648 WeakPolarHBondContact O-CA 3.35Å; I567-I648 CarbonylContact C-O 3.51Å; I567-I648 WeakPolarHBondContact CA-O 3.41Å; S568-I648 PolarHBondContact N-O 2.81Å; S568-I648 PolarHBondContact O-N 3.16Å; L600-I648 HydrophobicContact CD2-CD1 4.33Å; E646-I648 HydrophobicContact CG-CD1 4.37Å; E646-I648 HydrophobicContact CG-CG1 4.27Å
649	I	97.5	Very high	92.2	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.1	177.8	-49.3	-178.9	0	0	0	107.7	Q492 L493 F555 I564 I567 V612 I647 F651	Q492-I649 CarbonylContact C-O 3.52Å; Q492-I649 VanDerWaalsContact CA-O 3.32Å; Q492-I649 WeakPolarHBondContact CA-O 3.48Å; L493-I649 PolarHBondContact N-O 3.16Å; L493-I649 PolarHBondContact O-N 2.77Å; F555-I649 HydrophobicContact CB-CD1 3.65Å; F555-I649 HydrophobicContact CD1-CD1 3.64Å; F555-I649 HydrophobicContact CD2-CD1 4.17Å; F555-I649 HydrophobicContact CE1-CD1 4.39Å; F555-I649 HydrophobicContact CG-CD1 3.53Å; I564-I649 HydrophobicContact CG1-CG2 3.97Å; I564-I649 HydrophobicContact CG2-CG2 4.1Å; I567-I649 HydrophobicContact CD1-CD1 4.07Å; I567-I649 HydrophobicContact CD1-CG1 3.91Å; I567-I649 HydrophobicContact CG1-CG1 4.06Å; V612-I649 HydrophobicContact CG2-CD1 4.16Å; I647-I649 HydrophobicContact CG2-CD1 4.26Å; I647-I649 HydrophobicContact CG2-CG1 3.99Å; I649-F651 HydrophobicContact CB-CE1 4.22Å; I649-F651 HydrophobicContact CB-CE2 4.47Å; I649-F651 HydrophobicContact CB-CZ 3.91Å; I649-F651 HydrophobicContact CG2-CD1 4.03Å; I649-F651 HydrophobicContact CG2-CE1 3.4Å; I649-F651 VanDerWaalsContact CG2-CE1 3.4Å; I649-F651 HydrophobicContact CG2-CE2 4.41Å; I649-F651 HydrophobicContact CG2-CZ 3.62Å
650	K	97.7	Very high	92.5	Very high	98 Å²	98	53.6 Å²	53.6	43%	0.426	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	142.4	169.8	-65	-175.9	-179.8	176.2	0	109.3	K491 D565 S566	K491-K650 WeakPolarHBondContact O-CA 3.26Å; D565-K650 HydrophobicContact CB-CB 4.38Å; D565-K650 PolarHBondContact N-O 3.11Å; S566-K650 PolarHBondContact N-O 2.92Å; S566-K650 PolarHBondContact O-N 2.78Å
651	F	96.9	Very high	93.4	Very high	14 Å²	14	50.9 Å²	50.9	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	156.8	-176.6	-58.3	-67.3	0	0	0	112.1	P483 K491 L493 C557 L562 K563 I564 I649	P483-F651 HydrophobicContact CB-CE2 4.35Å; P483-F651 HydrophobicContact CG-CE1 4.35Å; P483-F651 HydrophobicContact CG-CE2 3.81Å; P483-F651 HydrophobicContact CG-CZ 3.7Å; K491-F651 HydrophobicContact CB-CB 4.47Å; K491-F651 PolarHBondContact O-N 2.99Å; L493-F651 HydrophobicContact CB-CE2 3.65Å; L493-F651 HydrophobicContact CB-CZ 3.97Å; C557-F651 HydrophobicContact CB-CD1 4.06Å; C557-F651 HydrophobicContact CB-CE1 3.62Å; C557-F651 HydrophobicContact CB-CZ 4.27Å; L562-F651 HydrophobicContact CB-CB 4.26Å; L562-F651 HydrophobicContact CB-CD1 4.38Å; L562-F651 HydrophobicContact CB-CG 4.4Å; L562-F651 HydrophobicContact CD1-CB 4.09Å; L562-F651 HydrophobicContact CD1-CD2 4.1Å; L562-F651 HydrophobicContact CD1-CG 4.01Å; L562-F651 HydrophobicContact CD2-CB 4.44Å; K563-F651 CarbonylContact O-C 3.48Å; K563-F651 VanDerWaalsContact O-CA 3.26Å; K563-F651 WeakPolarHBondContact O-CA 3.44Å; I564-F651 HydrophobicContact CG1-CD1 4.33Å; I564-F651 HydrophobicContact CG1-CE1 4.13Å; I649-F651 HydrophobicContact CB-CE1 4.22Å; I649-F651 HydrophobicContact CB-CE2 4.47Å; I649-F651 HydrophobicContact CB-CZ 3.91Å; I649-F651 HydrophobicContact CG2-CD1 4.03Å; I649-F651 HydrophobicContact CG2-CE1 3.4Å; I649-F651 VanDerWaalsContact CG2-CE1 3.4Å; I649-F651 HydrophobicContact CG2-CE2 4.41Å; I649-F651 HydrophobicContact CG2-CZ 3.62Å
652	S	95.1	Very high	94.3	Very high	38 Å²	38	43.7 Å²	43.7	27%	0.266	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	165.4	161.2	54.9	0	0	0	0	109.2	L562 K563	L562-S652 WeakPolarHBondContact CA-O 3.43Å; K563-S652 VanDerWaalsContact CE-OG 3.28Å; K563-S652 WeakPolarHBondContact CE-OG 3.31Å; K563-S652 VanDerWaalsContact CG-OG 3.23Å; K563-S652 WeakPolarHBondContact CG-OG 3.42Å; K563-S652 PolarHBondContact N-O 3.46Å; K563-S652 PolarHBondContact O-N 3.35Å
653	D	93.6	Very high	95.1	Very high	106 Å²	106	40.2 Å²	40.2	57%	0.567	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	137.4	174.8	-66.7	-54	0	0	0	110.4	K491 K563	K491-D653 IonicContact NZ-OD1 3.78Å; K491-D653 PolarHBondContact NZ-OD1 3.44Å; K491-D653 IonicContact NZ-OD2 3.03Å; K563-D653 WeakPolarHBondContact CE-O 3.28Å; K563-D653 PolarHBondContact NZ-O 3.01Å
654	L	84.1	Confident	95.5	Very high	123 Å²	123	39.6 Å²	39.6	64%	0.644	20%	0.204	S	C	*	.			trans	-60	0	-176.4	-176.9	62.5	0	0	0	111.7	G561 K563 T610	G561-L654 VanDerWaalsContact C-CB 3.43Å; G561-L654 WeakPolarHBondContact O-CB 3.2Å; G561-L654 PolarHBondContact O-N 3.23Å; K563-L654 HydrophobicContact CB-CD1 3.89Å; K563-L654 HydrophobicContact CD-CD1 4.42Å; K563-L654 PolarHBondContact NZ-OXT 3.03Å; T610-L654 HydrophobicContact CG2-CD1 3.66Å

Retrieved 654 of 654 residues in 1154.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).