A0A077ZEG1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZEG1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 608 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	42.3	Very low	64	Low	193 Å²	193	101.3 Å²	101.3	95%	0.951	55%	0.545	S	S	*	.				0	95.1	0	-70.4	179	177.5	0	0	108.6	I4	M1-I4 HydrophobicContact CB-CD1 4.13Å; M1-I4 HydrophobicContact CG-CD1 4.09Å; M1-I4 HydrophobicContact SD-CD1 3.64Å
2	R	40.9	Very low	64.8	Low	257 Å²	257	94.8 Å²	94.8	97%	0.97	51%	0.512	S	S	*	.			trans	-102.8	125.9	166.9	-73.5	-173.7	-177.5	-165.7	1.4	106.4
3	G	55.6	Low	65.8	Low	77 Å²	77	98.6 Å²	98.6	79%	0.794	53%	0.531	S	S	*	.			trans	113.5	4	172.7	0	0	0	0	0	118.2
4	I	57.6	Low	66.7	Low	71 Å²	71	105.6 Å²	105.6	36%	0.364	55%	0.546	S	S	.	.			trans	-88.1	113.9	172.9	-61.7	168	0	0	0	108.3	M1 V10	M1-I4 HydrophobicContact CB-CD1 4.13Å; M1-I4 HydrophobicContact CG-CD1 4.09Å; M1-I4 HydrophobicContact SD-CD1 3.64Å; I4-V10 HydrophobicContact CD1-CG2 4.27Å; I4-V10 HydrophobicContact CG2-CG2 3.81Å
5	T	66.1	Low	67.4	Low	151 Å²	151	100.8 Å²	100.8	93%	0.926	52%	0.521	S	S	*	.	S	Bend	trans	-76.7	-27.6	-178.9	40.4	0	0	0	0	113.5
6	N	70.9	Confident	67.3	Low	70 Å²	70	101.7 Å²	101.7	37%	0.374	53%	0.533	S	S	.	.			trans	-136.6	101	176.5	-168	-12.6	0	0	0	111.1	A8 N9	N6-A8 PolarHBondContact O-N 3.19Å; N6-A8 VanDerWaalsContact OD1-CB 3.24Å; N6-A8 WeakPolarHBondContact OD1-CB 3.36Å; N6-A8 PolarHBondContact OD1-N 3.33Å; N6-A8 VanDerWaalsContact OD1-N 3.13Å; N6-N9 PolarHBondContact O-N 3.28Å
7	I	70.1	Confident	67.5	Low	105 Å²	105	99.4 Å²	99.4	54%	0.538	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-59	-34.2	-179.7	-68.2	168.8	0	0	0	111.2	N9 V10 V11 A34	I7-N9 PolarHBondContact O-N 3.35Å; I7-N9 VanDerWaalsContact O-N 3.16Å; I7-V10 PolarHBondContact O-N 3.13Å; I7-V11 HydrophobicContact CG2-CG2 3.9Å; I7-V11 WeakPolarHBondContact O-CG2 3.48Å; I7-V11 PolarHBondContact O-N 3.22Å; I7-A34 HydrophobicContact CB-CB 4.02Å; I7-A34 HydrophobicContact CG2-CB 3.75Å
8	A	70.3	Confident	67	Low	2 Å²	2	98.3 Å²	98.3	2%	0.017	54%	0.541	C	S	.	.	G	3₁₀ helix	trans	-57.3	-33	-177.5	0	0	0	0	0	113.2	N6 V10 P12 K31 K32	N6-A8 PolarHBondContact O-N 3.19Å; N6-A8 VanDerWaalsContact OD1-CB 3.24Å; N6-A8 WeakPolarHBondContact OD1-CB 3.36Å; N6-A8 PolarHBondContact OD1-N 3.33Å; N6-A8 VanDerWaalsContact OD1-N 3.13Å; A8-V10 VanDerWaalsContact C-N 3.26Å; A8-V10 PolarHBondContact O-N 3.16Å; A8-P12 WeakPolarHBondContact O-CD 3.06Å; A8-K31 WeakPolarHBondContact CB-O 3.47Å; A8-K32 WeakPolarHBondContact CB-O 3.44Å
9	N	73.8	Confident	67.2	Low	112 Å²	112	94.3 Å²	94.3	60%	0.599	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-71.9	-20.8	179.3	-68.2	-9.2	0	0	0	113.3	N6 I7	N6-N9 PolarHBondContact O-N 3.28Å; I7-N9 PolarHBondContact O-N 3.35Å; I7-N9 VanDerWaalsContact O-N 3.16Å
10	V	78.7	Confident	67.7	Low	43 Å²	43	93.4 Å²	93.4	26%	0.261	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-28.5	-174.6	-170.6	0	0	0	0	111.7	I4 I7 A8 L13	I4-V10 HydrophobicContact CD1-CG2 4.27Å; I4-V10 HydrophobicContact CG2-CG2 3.81Å; I7-V10 PolarHBondContact O-N 3.13Å; A8-V10 VanDerWaalsContact C-N 3.26Å; A8-V10 PolarHBondContact O-N 3.16Å; V10-L13 PolarHBondContact O-N 3.15Å
11	V	78.1	Confident	67.9	Low	33 Å²	33	91.1 Å²	91.1	20%	0.2	51%	0.506	C	S	.	.	H	α-helix	trans	-51.5	-53.8	178.6	174.3	0	0	0	0	112.8	I7 L13 R14 L15 V37	I7-V11 HydrophobicContact CG2-CG2 3.9Å; I7-V11 WeakPolarHBondContact O-CG2 3.48Å; I7-V11 PolarHBondContact O-N 3.22Å; V11-L13 VanDerWaalsContact C-N 3.26Å; V11-L13 PolarHBondContact O-N 3.37Å; V11-R14 PolarHBondContact O-N 2.99Å; V11-L15 HydrophobicContact CG1-CD1 3.75Å; V11-L15 HydrophobicContact CG1-CG 4.1Å; V11-L15 WeakPolarHBondContact O-CG 3.46Å; V11-L15 PolarHBondContact O-N 3.12Å; V11-V37 HydrophobicContact CG1-CG1 3.68Å
12	P	72.9	Confident	69.4	Low	24 Å²	24	82.9 Å²	82.9	16%	0.156	47%	0.466	C	S	.	.	H	α-helix	trans	-61.6	-29.9	-178.7	20.6	-31.5	0	0	0	114.3	A8 R14 L15 F20 Y23	A8-P12 WeakPolarHBondContact O-CD 3.06Å; P12-R14 PolarHBondContact O-N 2.76Å; P12-L15 PolarHBondContact O-N 3.18Å; P12-F20 HydrophobicContact CB-CE2 4Å; P12-Y23 HydrophobicContact CB-CD1 4Å; P12-Y23 HydrophobicContact CB-CE1 3.55Å; P12-Y23 HydrophobicContact CB-CE2 4.23Å; P12-Y23 HydrophobicContact CG-CE1 4.1Å; P12-Y23 HydrophobicContact CG-CE2 4.32Å
13	L	78.1	Confident	71.1	Confident	144 Å²	144	72 Å²	72	75%	0.754	43%	0.426	S	S	*	.	H	α-helix	trans	-69.1	-16.6	178.1	-61.7	174.8	0	0	0	113.1	V10 V11	V10-L13 PolarHBondContact O-N 3.15Å; V11-L13 VanDerWaalsContact C-N 3.26Å; V11-L13 PolarHBondContact O-N 3.37Å
14	R	77.8	Confident	72.3	Confident	197 Å²	197	73.1 Å²	73.1	74%	0.743	41%	0.413	S	S	*	.	H	α-helix	trans	-106.9	-16.5	-179.5	-66.9	-65.9	-173.4	163.3	-1.7	113.3	V11 P12	V11-R14 PolarHBondContact O-N 2.99Å; P12-R14 PolarHBondContact O-N 2.76Å
15	L	78.3	Confident	73.4	Confident	33 Å²	33	77.5 Å²	77.5	17%	0.173	43%	0.432	C	S	.	.			trans	-78.8	131.9	176.2	-63.6	175.2	0	0	0	109.6	V11 P12 A19 F20 Y23 L41	V11-L15 HydrophobicContact CG1-CD1 3.75Å; V11-L15 HydrophobicContact CG1-CG 4.1Å; V11-L15 WeakPolarHBondContact O-CG 3.46Å; V11-L15 PolarHBondContact O-N 3.12Å; P12-L15 PolarHBondContact O-N 3.18Å; L15-A19 HydrophobicContact CD2-CB 4.1Å; L15-F20 HydrophobicContact CB-CB 4.1Å; L15-F20 HydrophobicContact CB-CD2 4.1Å; L15-Y23 HydrophobicContact CD1-CD2 4.02Å; L15-Y23 HydrophobicContact CD1-CG 3.97Å; L15-L41 HydrophobicContact CD1-CD1 3.96Å; L15-L41 HydrophobicContact CD2-CD1 3.67Å; L15-L41 HydrophobicContact CD2-CD2 4.48Å; L15-L41 HydrophobicContact CG-CD1 4.47Å
16	T	65.2	Low	74.2	Confident	115 Å²	115	70.9 Å²	70.9	71%	0.706	39%	0.391	S	S	*	.			trans	-128.3	151.4	178.3	54.7	0	0	0	0	111	S18 A19	T16-S18 PolarHBondContact O-N 3.19Å; T16-A19 PolarHBondContact O-N 3.34Å
17	G	71.5	Confident	75	Confident	63 Å²	63	70.9 Å²	70.9	65%	0.649	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	-133.6	174.7	0	0	0	0	0	113.1	A19 F20 A21	G17-A19 VanDerWaalsContact C-N 3.27Å; G17-A19 PolarHBondContact O-N 3.18Å; G17-F20 WeakPolarHBondContact O-CB 3.24Å; G17-F20 PolarHBondContact O-N 3.12Å; G17-F20 VanDerWaalsContact O-N 3.13Å; G17-A21 PolarHBondContact O-N 3.21Å
18	S	58.5	Low	75.7	Confident	80 Å²	80	71.7 Å²	71.7	56%	0.559	40%	0.398	S	S	*	.	H	α-helix	trans	-59.2	-35.1	-177.8	39.5	0	0	0	0	113	T16 F20 A21 V22	T16-S18 PolarHBondContact O-N 3.19Å; S18-F20 VanDerWaalsContact C-N 3.31Å; S18-F20 PolarHBondContact O-N 2.79Å; S18-A21 WeakPolarHBondContact O-CB 3.1Å; S18-A21 PolarHBondContact O-N 3.2Å; S18-V22 WeakPolarHBondContact O-CG2 2.92Å; S18-V22 PolarHBondContact O-N 2.97Å; S18-V22 VanDerWaalsContact O-N 3.09Å
19	A	69.8	Low	76.3	Confident	21 Å²	21	79 Å²	79	17%	0.174	43%	0.432	C	S	.	.	H	α-helix	trans	-65.5	-35.3	177.6	0	0	0	0	0	112.6	L15 T16 G17 Y23 L41 F45	L15-A19 HydrophobicContact CD2-CB 4.1Å; T16-A19 PolarHBondContact O-N 3.34Å; G17-A19 VanDerWaalsContact C-N 3.27Å; G17-A19 PolarHBondContact O-N 3.18Å; A19-Y23 PolarHBondContact O-N 3.09Å; A19-L41 HydrophobicContact CB-CD2 4.11Å; A19-L41 WeakPolarHBondContact O-CD2 3.34Å; A19-F45 HydrophobicContact CB-CE2 3.86Å; A19-F45 HydrophobicContact CB-CZ 4.12Å
20	F	77.4	Confident	76.8	Confident	76 Å²	76	76.2 Å²	76.2	33%	0.333	42%	0.416	S	S	.	.	H	α-helix	trans	-70.1	-35.3	173.6	-171.3	-109.9	0	0	0	111.9	P12 L15 G17 S18 V22 Y23 L24	P12-F20 HydrophobicContact CB-CE2 4Å; L15-F20 HydrophobicContact CB-CB 4.1Å; L15-F20 HydrophobicContact CB-CD2 4.1Å; G17-F20 WeakPolarHBondContact O-CB 3.24Å; G17-F20 PolarHBondContact O-N 3.12Å; G17-F20 VanDerWaalsContact O-N 3.13Å; S18-F20 VanDerWaalsContact C-N 3.31Å; S18-F20 PolarHBondContact O-N 2.79Å; F20-V22 PolarHBondContact O-N 2.78Å; F20-Y23 HydrophobicContact CE2-CD1 4.35Å; F20-Y23 WeakPolarHBondContact O-CB 3.4Å; F20-Y23 PolarHBondContact O-N 3.29Å; F20-L24 HydrophobicContact CD1-CD1 4.01Å; F20-L24 HydrophobicContact CD1-CG 4.26Å; F20-L24 HydrophobicContact CE1-CD1 3.79Å; F20-L24 HydrophobicContact CE1-CD2 4.17Å; F20-L24 HydrophobicContact CE1-CG 4.01Å; F20-L24 HydrophobicContact CZ-CD2 4.17Å; F20-L24 HydrophobicContact CZ-CG 4.38Å; F20-L24 WeakPolarHBondContact O-CG 3.36Å; F20-L24 PolarHBondContact O-N 3.22Å
21	A	72.8	Confident	77	Confident	46 Å²	46	75.9 Å²	75.9	38%	0.38	41%	0.411	S	S	.	.	H	α-helix	trans	-64.1	-39.5	176	0	0	0	0	0	112.5	G17 S18 L24 Q25	G17-A21 PolarHBondContact O-N 3.21Å; S18-A21 WeakPolarHBondContact O-CB 3.1Å; S18-A21 PolarHBondContact O-N 3.2Å; A21-L24 PolarHBondContact O-N 3.45Å; A21-Q25 PolarHBondContact O-N 3.28Å
22	V	72.2	Confident	77.2	Confident	20 Å²	20	81.5 Å²	81.5	12%	0.121	43%	0.432	C	S	.	.	H	α-helix	trans	-61.8	-46	172.8	176.5	0	0	0	0	110.4	S18 F20 L24 Q25 L26 L41 T44 F45	S18-V22 WeakPolarHBondContact O-CG2 2.92Å; S18-V22 PolarHBondContact O-N 2.97Å; S18-V22 VanDerWaalsContact O-N 3.09Å; F20-V22 PolarHBondContact O-N 2.78Å; V22-L24 VanDerWaalsContact C-N 3.28Å; V22-L24 PolarHBondContact O-N 3.31Å; V22-Q25 PolarHBondContact O-N 3.35Å; V22-Q25 VanDerWaalsContact O-N 3.11Å; V22-L26 PolarHBondContact O-N 3.11Å; V22-L41 HydrophobicContact CB-CD2 4.12Å; V22-L41 HydrophobicContact CG1-CD2 4.13Å; V22-T44 HydrophobicContact CG1-CG2 4.35Å; V22-T44 WeakPolarHBondContact CG1-OG1 3.31Å; V22-T44 HydrophobicContact CG2-CG2 3.49Å; V22-T44 VanDerWaalsContact CG2-CG2 3.49Å; V22-F45 HydrophobicContact CB-CE2 4.48Å; V22-F45 HydrophobicContact CG2-CE2 3.87Å; V22-F45 HydrophobicContact CG2-CZ 3.97Å
23	Y	78	Confident	77.7	Confident	30 Å²	30	82.3 Å²	82.3	12%	0.118	44%	0.439	C	S	.	.	H	α-helix	trans	-57	-40.4	175.4	174.9	-89	0	0	0	112.6	P12 L15 A19 F20 Q25 L26 K31 V37	P12-Y23 HydrophobicContact CB-CD1 4Å; P12-Y23 HydrophobicContact CB-CE1 3.55Å; P12-Y23 HydrophobicContact CB-CE2 4.23Å; P12-Y23 HydrophobicContact CG-CE1 4.1Å; P12-Y23 HydrophobicContact CG-CE2 4.32Å; L15-Y23 HydrophobicContact CD1-CD2 4.02Å; L15-Y23 HydrophobicContact CD1-CG 3.97Å; A19-Y23 PolarHBondContact O-N 3.09Å; F20-Y23 HydrophobicContact CE2-CD1 4.35Å; F20-Y23 WeakPolarHBondContact O-CB 3.4Å; F20-Y23 PolarHBondContact O-N 3.29Å; Y23-Q25 VanDerWaalsContact C-N 3.27Å; Y23-Q25 PolarHBondContact O-N 3.26Å; Y23-L26 HydrophobicContact CD2-CD1 4.5Å; Y23-L26 WeakPolarHBondContact O-CB 3.19Å; Y23-L26 PolarHBondContact O-N 3.32Å; Y23-K31 HydrophobicContact CE1-CD 4.11Å; Y23-K31 HydrophobicContact CE1-CG 4.29Å; Y23-K31 HydrophobicContact CE2-CB 4.31Å; Y23-K31 HydrophobicContact CE2-CG 3.88Å; Y23-K31 WeakPolarHBondContact O-CE 3.43Å; Y23-V37 HydrophobicContact CD2-CG1 3.76Å; Y23-V37 HydrophobicContact CD2-CG2 4.17Å; Y23-V37 HydrophobicContact CE2-CG1 4.27Å; Y23-V37 HydrophobicContact CE2-CG2 4.03Å
24	L	81.1	Confident	77.8	Confident	99 Å²	99	77 Å²	77	52%	0.518	42%	0.415	S	S	.	.	H	α-helix	trans	-63.7	-31.1	178.6	-72.8	176.1	0	0	0	113.2	F20 A21 V22 L26 K31	F20-L24 HydrophobicContact CD1-CD1 4.01Å; F20-L24 HydrophobicContact CD1-CG 4.26Å; F20-L24 HydrophobicContact CE1-CD1 3.79Å; F20-L24 HydrophobicContact CE1-CD2 4.17Å; F20-L24 HydrophobicContact CE1-CG 4.01Å; F20-L24 HydrophobicContact CZ-CD2 4.17Å; F20-L24 HydrophobicContact CZ-CG 4.38Å; F20-L24 WeakPolarHBondContact O-CG 3.36Å; F20-L24 PolarHBondContact O-N 3.22Å; A21-L24 PolarHBondContact O-N 3.45Å; V22-L24 VanDerWaalsContact C-N 3.28Å; V22-L24 PolarHBondContact O-N 3.31Å; L24-L26 VanDerWaalsContact C-N 3.31Å; L24-K31 PolarHBondContact O-NZ 3.02Å; L24-K31 VanDerWaalsContact O-NZ 3.12Å
25	Q	79.7	Confident	78	Confident	163 Å²	163	72.2 Å²	72.2	76%	0.762	40%	0.402	S	S	*	.	H	α-helix	trans	-76.6	-16.5	179.5	-68.7	179.8	5.8	0	0	113.7	A21 V22 Y23	A21-Q25 PolarHBondContact O-N 3.28Å; V22-Q25 PolarHBondContact O-N 3.35Å; V22-Q25 VanDerWaalsContact O-N 3.11Å; Y23-Q25 VanDerWaalsContact C-N 3.27Å; Y23-Q25 PolarHBondContact O-N 3.26Å
26	L	83.6	Confident	78.3	Confident	13 Å²	13	74.9 Å²	74.9	7%	0.068	41%	0.413	C	S	.	.	S	Bend	trans	-66.5	144.5	174.8	-59.3	179.4	0	0	0	110.8	V22 Y23 L24 E30 K31 V37 N40	V22-L26 PolarHBondContact O-N 3.11Å; Y23-L26 HydrophobicContact CD2-CD1 4.5Å; Y23-L26 WeakPolarHBondContact O-CB 3.19Å; Y23-L26 PolarHBondContact O-N 3.32Å; L24-L26 VanDerWaalsContact C-N 3.31Å; L26-E30 HydrophobicContact CB-CB 4.08Å; L26-K31 HydrophobicContact CB-CG 3.95Å; L26-K31 WeakPolarHBondContact O-CE 3.45Å; L26-K31 PolarHBondContact O-NZ 3.43Å; L26-V37 HydrophobicContact CD1-CB 4.25Å; L26-V37 HydrophobicContact CD1-CG1 4.31Å; L26-V37 HydrophobicContact CD1-CG2 3.88Å; L26-N40 HydrophobicContact CD1-CB 4.22Å; L26-N40 HydrophobicContact CD2-CB 3.68Å; L26-N40 WeakPolarHBondContact CD2-ND2 3.4Å
27	T	87	Confident	79	Confident	70 Å²	70	69.4 Å²	69.4	43%	0.429	38%	0.38	S	S	.	.			trans	-63.7	158.1	172.1	62	0	0	0	0	110.9	E29 E30 K31	T27-E29 PolarHBondContact O-N 3.34Å; T27-E30 WeakPolarHBondContact CB-OE2 3.45Å; T27-E30 PolarHBondContact N-OE2 2.99Å; T27-E30 PolarHBondContact O-N 3.11Å; T27-E30 VanDerWaalsContact OG1-CD 3.27Å; T27-E30 VanDerWaalsContact OG1-CG 3.22Å; T27-E30 WeakPolarHBondContact OG1-CG 3.3Å; T27-E30 PolarHBondContact OG1-N 3.43Å; T27-E30 PolarHBondContact OG1-OE2 3.48Å; T27-K31 WeakPolarHBondContact O-CG 3.22Å; T27-K31 PolarHBondContact O-N 2.92Å
28	D	83.8	Confident	79.5	Confident	121 Å²	121	71.1 Å²	71.1	65%	0.647	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.5	179.2	-69	-26.9	0	0	0	112.9	K31 K32	D28-K31 IonicContact OD1-NZ 2.86Å; D28-K32 WeakPolarHBondContact O-CE 3.43Å; D28-K32 WeakPolarHBondContact O-CG 3.34Å
29	E	84	Confident	80.5	Confident	155 Å²	155	72.4 Å²	72.4	72%	0.724	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-49.7	172.3	-69.7	163.7	175.2	0	0	110.4	T27 K31 K32	T27-E29 PolarHBondContact O-N 3.34Å; E29-K31 VanDerWaalsContact C-N 3.31Å; E29-K31 PolarHBondContact O-N 3.32Å; E29-K32 WeakPolarHBondContact O-CB 3.46Å; E29-K32 PolarHBondContact O-N 2.88Å; E29-K32 VanDerWaalsContact O-N 3.15Å
30	E	83.6	Confident	80.8	Confident	54 Å²	54	73.8 Å²	73.8	25%	0.252	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-62.3	-38	178	-70.2	164.1	135.7	0	0	112.5	L26 T27 K32 S33 E36	L26-E30 HydrophobicContact CB-CB 4.08Å; T27-E30 WeakPolarHBondContact CB-OE2 3.45Å; T27-E30 PolarHBondContact N-OE2 2.99Å; T27-E30 PolarHBondContact O-N 3.11Å; T27-E30 VanDerWaalsContact OG1-CD 3.27Å; T27-E30 VanDerWaalsContact OG1-CG 3.22Å; T27-E30 WeakPolarHBondContact OG1-CG 3.3Å; T27-E30 PolarHBondContact OG1-N 3.43Å; T27-E30 PolarHBondContact OG1-OE2 3.48Å; E30-K32 PolarHBondContact O-N 2.83Å; E30-S33 PolarHBondContact O-N 3.22Å; E30-S33 VanDerWaalsContact O-N 3.12Å; E30-E36 WeakPolarHBondContact CA-OE2 3.24Å; E30-E36 VanDerWaalsContact CG-OE2 3.3Å; E30-E36 WeakPolarHBondContact CG-OE2 3.44Å
31	K	83.2	Confident	80.8	Confident	36 Å²	36	71.4 Å²	71.4	16%	0.157	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-61.7	-26.1	177.7	-74.3	171.3	176.4	142.7	0	113.4	A8 Y23 L24 L26 T27 D28 E29 S33	A8-K31 WeakPolarHBondContact CB-O 3.47Å; Y23-K31 HydrophobicContact CE1-CD 4.11Å; Y23-K31 HydrophobicContact CE1-CG 4.29Å; Y23-K31 HydrophobicContact CE2-CB 4.31Å; Y23-K31 HydrophobicContact CE2-CG 3.88Å; Y23-K31 WeakPolarHBondContact O-CE 3.43Å; L24-K31 PolarHBondContact O-NZ 3.02Å; L24-K31 VanDerWaalsContact O-NZ 3.12Å; L26-K31 HydrophobicContact CB-CG 3.95Å; L26-K31 WeakPolarHBondContact O-CE 3.45Å; L26-K31 PolarHBondContact O-NZ 3.43Å; T27-K31 WeakPolarHBondContact O-CG 3.22Å; T27-K31 PolarHBondContact O-N 2.92Å; D28-K31 IonicContact OD1-NZ 2.86Å; E29-K31 VanDerWaalsContact C-N 3.31Å; E29-K31 PolarHBondContact O-N 3.32Å; K31-S33 VanDerWaalsContact C-N 3.32Å
32	K	83.6	Confident	80.8	Confident	151 Å²	151	73.9 Å²	73.9	66%	0.657	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-75.6	-22.5	178.5	-70.2	167.8	-172.8	171.5	0	112.5	A8 D28 E29 E30	A8-K32 WeakPolarHBondContact CB-O 3.44Å; D28-K32 WeakPolarHBondContact O-CE 3.43Å; D28-K32 WeakPolarHBondContact O-CG 3.34Å; E29-K32 WeakPolarHBondContact O-CB 3.46Å; E29-K32 PolarHBondContact O-N 2.88Å; E29-K32 VanDerWaalsContact O-N 3.15Å; E30-K32 PolarHBondContact O-N 2.83Å
33	S	83	Confident	80.7	Confident	41 Å²	41	76.5 Å²	76.5	29%	0.287	39%	0.392	S	S	.	.			trans	-97.1	109.8	178.9	178.2	0	0	0	0	110.5	E30 K31 E35 E36 V37	E30-S33 PolarHBondContact O-N 3.22Å; E30-S33 VanDerWaalsContact O-N 3.12Å; K31-S33 VanDerWaalsContact C-N 3.32Å; S33-E35 PolarHBondContact O-N 3.13Å; S33-E36 PolarHBondContact O-N 3.45Å; S33-E36 PolarHBondContact OG-N 3.26Å; S33-V37 WeakPolarHBondContact O-CG2 3.41Å; S33-V37 PolarHBondContact O-N 3.04Å; S33-V37 VanDerWaalsContact O-N 3.09Å
34	A	80.3	Confident	80.1	Confident	32 Å²	32	78.8 Å²	78.8	26%	0.264	41%	0.409	S	S	.	.	H	α-helix	trans	-58.9	-31	176.5	0	0	0	0	0	112.6	I7 K38	I7-A34 HydrophobicContact CB-CB 4.02Å; I7-A34 HydrophobicContact CG2-CB 3.75Å; A34-K38 WeakPolarHBondContact O-CB 3.46Å; A34-K38 PolarHBondContact O-N 3.09Å; A34-K38 VanDerWaalsContact O-N 3.11Å
35	E	81.4	Confident	79.4	Confident	97 Å²	97	78.9 Å²	78.9	45%	0.453	41%	0.405	S	S	.	.	H	α-helix	trans	-74.9	-36.4	179.2	-160.2	61.3	-154.4	0	0	111.6	S33 K38 Q39	S33-E35 PolarHBondContact O-N 3.13Å; E35-K38 PolarHBondContact O-N 2.9Å; E35-K38 IonicContact OE1-NZ 3.05Å; E35-K38 PolarHBondContact OE1-NZ 3.43Å; E35-K38 IonicContact OE2-NZ 2.71Å; E35-K38 PolarHBondContact OE2-NZ 3.18Å; E35-Q39 VanDerWaalsContact O-CG 3.31Å; E35-Q39 WeakPolarHBondContact O-CG 3.44Å; E35-Q39 PolarHBondContact O-N 2.91Å
36	E	83.6	Confident	78.5	Confident	89 Å²	89	74 Å²	74	42%	0.416	39%	0.392	S	S	.	.	H	α-helix	trans	-69.4	-40.1	175.7	-71	-178.2	-169	0	0	112.2	E30 S33 K38 Q39 N40	E30-E36 WeakPolarHBondContact CA-OE2 3.24Å; E30-E36 VanDerWaalsContact CG-OE2 3.3Å; E30-E36 WeakPolarHBondContact CG-OE2 3.44Å; S33-E36 PolarHBondContact O-N 3.45Å; S33-E36 PolarHBondContact OG-N 3.26Å; E36-K38 VanDerWaalsContact C-N 3.29Å; E36-K38 PolarHBondContact O-N 3.45Å; E36-Q39 PolarHBondContact O-N 3.17Å; E36-N40 WeakPolarHBondContact O-CB 3.46Å; E36-N40 PolarHBondContact O-N 3.25Å; E36-N40 PolarHBondContact O-ND2 3.49Å
37	V	81.3	Confident	77.4	Confident	1 Å²	1	75 Å²	75	1%	0.006	40%	0.4	C	S	.	.	H	α-helix	trans	-59.1	-44.8	172.4	176.3	0	0	0	0	110.4	V11 Y23 L26 S33 N40 L41	V11-V37 HydrophobicContact CG1-CG1 3.68Å; Y23-V37 HydrophobicContact CD2-CG1 3.76Å; Y23-V37 HydrophobicContact CD2-CG2 4.17Å; Y23-V37 HydrophobicContact CE2-CG1 4.27Å; Y23-V37 HydrophobicContact CE2-CG2 4.03Å; L26-V37 HydrophobicContact CD1-CB 4.25Å; L26-V37 HydrophobicContact CD1-CG1 4.31Å; L26-V37 HydrophobicContact CD1-CG2 3.88Å; S33-V37 WeakPolarHBondContact O-CG2 3.41Å; S33-V37 PolarHBondContact O-N 3.04Å; S33-V37 VanDerWaalsContact O-N 3.09Å; V37-N40 PolarHBondContact O-N 2.96Å; V37-L41 HydrophobicContact CG1-CD1 3.92Å; V37-L41 HydrophobicContact CG1-CG 4.43Å; V37-L41 WeakPolarHBondContact O-CB 3.42Å; V37-L41 VanDerWaalsContact O-CG 3.24Å; V37-L41 WeakPolarHBondContact O-CG 3.31Å; V37-L41 PolarHBondContact O-N 3.19Å
38	K	81.6	Confident	76.2	Confident	99 Å²	99	75.1 Å²	75.1	43%	0.43	40%	0.397	S	S	.	.	H	α-helix	trans	-62.8	-44.9	177.5	176.1	-176.7	160.9	-147.6	0	112	A34 E35 E36 L41 L42	A34-K38 WeakPolarHBondContact O-CB 3.46Å; A34-K38 PolarHBondContact O-N 3.09Å; A34-K38 VanDerWaalsContact O-N 3.11Å; E35-K38 PolarHBondContact O-N 2.9Å; E35-K38 IonicContact OE1-NZ 3.05Å; E35-K38 PolarHBondContact OE1-NZ 3.43Å; E35-K38 IonicContact OE2-NZ 2.71Å; E35-K38 PolarHBondContact OE2-NZ 3.18Å; E36-K38 VanDerWaalsContact C-N 3.29Å; E36-K38 PolarHBondContact O-N 3.45Å; K38-L41 PolarHBondContact O-N 3.32Å; K38-L42 HydrophobicContact CG-CD1 4.12Å; K38-L42 WeakPolarHBondContact O-CB 3.42Å; K38-L42 VanDerWaalsContact O-CG 3.32Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 3.43Å
39	Q	78.7	Confident	75	Confident	107 Å²	107	72.4 Å²	72.4	50%	0.5	39%	0.388	S	S	.	.	H	α-helix	trans	-64.3	-42.8	178.2	-72.1	-64.5	-26.4	0	0	111.9	E35 E36 L42 A43	E35-Q39 VanDerWaalsContact O-CG 3.31Å; E35-Q39 WeakPolarHBondContact O-CG 3.44Å; E35-Q39 PolarHBondContact O-N 2.91Å; E36-Q39 PolarHBondContact O-N 3.17Å; Q39-L42 PolarHBondContact O-N 2.92Å; Q39-A43 VanDerWaalsContact O-CB 3.31Å; Q39-A43 WeakPolarHBondContact O-CB 3.47Å; Q39-A43 PolarHBondContact O-N 3.48Å
40	N	77.1	Confident	73.3	Confident	49 Å²	49	69.3 Å²	69.3	26%	0.262	37%	0.372	S	S	.	.	H	α-helix	trans	-65.1	-40.6	177	-85	-67	0	0	0	112.6	L26 E36 V37 A43 T44	L26-N40 HydrophobicContact CD1-CB 4.22Å; L26-N40 HydrophobicContact CD2-CB 3.68Å; L26-N40 WeakPolarHBondContact CD2-ND2 3.4Å; E36-N40 WeakPolarHBondContact O-CB 3.46Å; E36-N40 PolarHBondContact O-N 3.25Å; E36-N40 PolarHBondContact O-ND2 3.49Å; V37-N40 PolarHBondContact O-N 2.96Å; N40-A43 PolarHBondContact O-N 2.72Å; N40-T44 WeakPolarHBondContact O-CB 3.32Å; N40-T44 PolarHBondContact O-N 2.79Å; N40-T44 PolarHBondContact O-OG1 3.49Å
41	L	76.5	Confident	72.4	Confident	27 Å²	27	69 Å²	69	14%	0.141	37%	0.372	C	S	.	.	H	α-helix	trans	-63.8	-45.6	173.5	-71.6	171.3	0	0	0	111.4	L15 A19 V22 V37 K38 A43 T44 F45	L15-L41 HydrophobicContact CD1-CD1 3.96Å; L15-L41 HydrophobicContact CD2-CD1 3.67Å; L15-L41 HydrophobicContact CD2-CD2 4.48Å; L15-L41 HydrophobicContact CG-CD1 4.47Å; A19-L41 HydrophobicContact CB-CD2 4.11Å; A19-L41 WeakPolarHBondContact O-CD2 3.34Å; V22-L41 HydrophobicContact CB-CD2 4.12Å; V22-L41 HydrophobicContact CG1-CD2 4.13Å; V37-L41 HydrophobicContact CG1-CD1 3.92Å; V37-L41 HydrophobicContact CG1-CG 4.43Å; V37-L41 WeakPolarHBondContact O-CB 3.42Å; V37-L41 VanDerWaalsContact O-CG 3.24Å; V37-L41 WeakPolarHBondContact O-CG 3.31Å; V37-L41 PolarHBondContact O-N 3.19Å; K38-L41 PolarHBondContact O-N 3.32Å; L41-A43 VanDerWaalsContact C-N 3.34Å; L41-A43 PolarHBondContact O-N 3.5Å; L41-T44 PolarHBondContact O-N 3.31Å; L41-F45 HydrophobicContact CD2-CD2 4.34Å; L41-F45 HydrophobicContact CD2-CE2 3.97Å; L41-F45 VanDerWaalsContact O-CD2 3.28Å; L41-F45 WeakPolarHBondContact O-CD2 3.28Å; L41-F45 PolarHBondContact O-N 3.34Å
42	L	73.5	Confident	71.4	Confident	98 Å²	98	67.3 Å²	67.3	51%	0.513	37%	0.365	S	S	.	.	H	α-helix	trans	-63.5	-39	176.5	-74.3	175.3	0	0	0	111.9	K38 Q39 A46	K38-L42 HydrophobicContact CG-CD1 4.12Å; K38-L42 WeakPolarHBondContact O-CB 3.42Å; K38-L42 VanDerWaalsContact O-CG 3.32Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 3.43Å; Q39-L42 PolarHBondContact O-N 2.92Å; L42-A46 WeakPolarHBondContact O-CA 3.47Å; L42-A46 WeakPolarHBondContact O-CB 3Å; L42-A46 PolarHBondContact O-N 2.75Å
43	A	69.6	Low	70.2	Confident	75 Å²	75	65.7 Å²	65.7	62%	0.62	36%	0.355	S	S	*	.	H	α-helix	trans	-68.3	-38.7	176.8	0	0	0	0	0	112.1	Q39 N40 L41	Q39-A43 VanDerWaalsContact O-CB 3.31Å; Q39-A43 WeakPolarHBondContact O-CB 3.47Å; Q39-A43 PolarHBondContact O-N 3.48Å; N40-A43 PolarHBondContact O-N 2.72Å; L41-A43 VanDerWaalsContact C-N 3.34Å; L41-A43 PolarHBondContact O-N 3.5Å
44	T	66.7	Low	68.8	Low	78 Å²	78	66.5 Å²	66.5	48%	0.479	35%	0.354	S	S	.	.	H	α-helix	trans	-76	-34.4	-178.1	-50.9	0	0	0	0	112.8	V22 N40 L41	V22-T44 HydrophobicContact CG1-CG2 4.35Å; V22-T44 WeakPolarHBondContact CG1-OG1 3.31Å; V22-T44 HydrophobicContact CG2-CG2 3.49Å; V22-T44 VanDerWaalsContact CG2-CG2 3.49Å; N40-T44 WeakPolarHBondContact O-CB 3.32Å; N40-T44 PolarHBondContact O-N 2.79Å; N40-T44 PolarHBondContact O-OG1 3.49Å; L41-T44 PolarHBondContact O-N 3.31Å
45	F	65.3	Low	68.5	Low	100 Å²	100	68.8 Å²	68.8	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-106.1	7.8	178.5	-61.5	-73.4	0	0	0	113.5	A19 V22 L41 V47	A19-F45 HydrophobicContact CB-CE2 3.86Å; A19-F45 HydrophobicContact CB-CZ 4.12Å; V22-F45 HydrophobicContact CB-CE2 4.48Å; V22-F45 HydrophobicContact CG2-CE2 3.87Å; V22-F45 HydrophobicContact CG2-CZ 3.97Å; L41-F45 HydrophobicContact CD2-CD2 4.34Å; L41-F45 HydrophobicContact CD2-CE2 3.97Å; L41-F45 VanDerWaalsContact O-CD2 3.28Å; L41-F45 WeakPolarHBondContact O-CD2 3.28Å; L41-F45 PolarHBondContact O-N 3.34Å; F45-V47 PolarHBondContact O-N 3.19Å
46	A	61.5	Low	68.2	Low	60 Å²	60	67.4 Å²	67.4	50%	0.496	35%	0.352	S	S	.	.	S	Bend	trans	-57	131.4	169.3	0	0	0	0	0	107.5	L42 D48	L42-A46 WeakPolarHBondContact O-CA 3.47Å; L42-A46 WeakPolarHBondContact O-CB 3Å; L42-A46 PolarHBondContact O-N 2.75Å; A46-D48 PolarHBondContact O-N 2.98Å
47	V	60.6	Low	67.1	Low	36 Å²	36	66.6 Å²	66.6	22%	0.218	35%	0.353	C	S	.	.			trans	-59.7	110.5	170.3	-176.4	0	0	0	0	106.3	F45 L51 A52 L80	F45-V47 PolarHBondContact O-N 3.19Å; V47-L51 HydrophobicContact CG1-CB 3.92Å; V47-L51 HydrophobicContact CG1-CD2 4.1Å; V47-L51 HydrophobicContact CG1-CG 3.91Å; V47-A52 HydrophobicContact CG1-CB 3.72Å; V47-A52 VanDerWaalsContact CG1-N 3.31Å; V47-L80 HydrophobicContact CB-CD1 4.35Å
48	D	61.2	Low	66.5	Low	72 Å²	72	69.9 Å²	69.9	39%	0.385	38%	0.38	S	S	.	.			trans	-64.8	160	-179.3	98.7	92.1	0	0	0	109.9	A46 F50 L51 A52	A46-D48 PolarHBondContact O-N 2.98Å; D48-F50 PolarHBondContact O-N 3.19Å; D48-F50 WeakPolarHBondContact OD1-CA 3.2Å; D48-F50 WeakPolarHBondContact OD1-CB 3.27Å; D48-F50 PolarHBondContact OD1-N 3.34Å; D48-L51 PolarHBondContact O-N 3.21Å; D48-L51 WeakPolarHBondContact OD2-CB 3.43Å; D48-L51 PolarHBondContact OD2-N 3.44Å; D48-A52 WeakPolarHBondContact O-CB 3.27Å; D48-A52 PolarHBondContact O-N 3.13Å
49	S	59.6	Low	66.5	Low	64 Å²	64	68.4 Å²	68.4	45%	0.448	37%	0.372	S	S	.	.	H	α-helix	trans	-52.9	-32.3	179.9	173.9	0	0	0	0	112.6	Y53 F81	S49-Y53 PolarHBondContact O-N 3.18Å; S49-F81 WeakPolarHBondContact O-CB 3.47Å; S49-F81 VanDerWaalsContact OG-CA 3.32Å; S49-F81 WeakPolarHBondContact OG-CA 3.29Å; S49-F81 WeakPolarHBondContact OG-CB 3.48Å; S49-F81 PolarHBondContact OG-O 3.43Å
50	F	47.8	Very low	66.4	Low	89 Å²	89	71.5 Å²	71.5	39%	0.39	38%	0.379	S	S	.	.	H	α-helix	trans	-78.4	-46.4	178.5	-175.5	-104.7	0	0	0	112.6	D48 A52 Y53 K54 L405	D48-F50 PolarHBondContact O-N 3.19Å; D48-F50 WeakPolarHBondContact OD1-CA 3.2Å; D48-F50 WeakPolarHBondContact OD1-CB 3.27Å; D48-F50 PolarHBondContact OD1-N 3.34Å; F50-A52 VanDerWaalsContact C-N 3.27Å; F50-A52 PolarHBondContact O-N 2.85Å; F50-Y53 WeakPolarHBondContact O-CB 3.32Å; F50-Y53 PolarHBondContact O-N 3.31Å; F50-Y53 VanDerWaalsContact O-N 3.16Å; F50-K54 HydrophobicContact CD1-CD 4.36Å; F50-K54 HydrophobicContact CE1-CD 3.79Å; F50-K54 HydrophobicContact CE1-CG 4.24Å; F50-K54 HydrophobicContact CZ-CD 4.29Å; F50-K54 HydrophobicContact CZ-CG 4.41Å; F50-K54 PolarHBondContact O-N 3.46Å; F50-L405 HydrophobicContact CZ-CD1 4.31Å
51	L	63.4	Low	66.2	Low	49 Å²	49	73.1 Å²	73.1	26%	0.257	39%	0.387	S	S	.	.	H	α-helix	trans	-62.3	-37.2	175.8	-174.9	62	0	0	0	111.5	V47 D48 Y53 K54 Q55	V47-L51 HydrophobicContact CG1-CB 3.92Å; V47-L51 HydrophobicContact CG1-CD2 4.1Å; V47-L51 HydrophobicContact CG1-CG 3.91Å; D48-L51 PolarHBondContact O-N 3.21Å; D48-L51 WeakPolarHBondContact OD2-CB 3.43Å; D48-L51 PolarHBondContact OD2-N 3.44Å; L51-Y53 VanDerWaalsContact C-N 3.33Å; L51-Y53 PolarHBondContact O-N 2.93Å; L51-K54 PolarHBondContact O-N 3.37Å; L51-Q55 WeakPolarHBondContact O-CB 3.46Å; L51-Q55 WeakPolarHBondContact O-CG 3.31Å; L51-Q55 PolarHBondContact O-N 2.79Å
52	A	64	Low	65.8	Low	0 Å²	0	73 Å²	73	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-61.7	-42.7	174.5	0	0	0	0	0	111.2	V47 D48 F50 Q55 F56 L80 F81	V47-A52 HydrophobicContact CG1-CB 3.72Å; V47-A52 VanDerWaalsContact CG1-N 3.31Å; D48-A52 WeakPolarHBondContact O-CB 3.27Å; D48-A52 PolarHBondContact O-N 3.13Å; F50-A52 VanDerWaalsContact C-N 3.27Å; F50-A52 PolarHBondContact O-N 2.85Å; A52-Q55 PolarHBondContact O-N 2.92Å; A52-F56 VanDerWaalsContact O-CB 3.29Å; A52-F56 WeakPolarHBondContact O-CB 3.19Å; A52-F56 PolarHBondContact O-N 3.46Å; A52-L80 HydrophobicContact CB-CB 3.54Å; A52-L80 HydrophobicContact CB-CD1 4.37Å; A52-F81 HydrophobicContact CB-CB 4.23Å; A52-F81 HydrophobicContact CB-CD1 4.1Å
53	Y	57.6	Low	65.7	Low	116 Å²	116	72.9 Å²	72.9	46%	0.455	41%	0.414	S	S	.	.	H	α-helix	trans	-63.6	-44.2	174.4	177.4	-100.3	0	0	0	111.9	S49 F50 L51 F56 V57 F81	S49-Y53 PolarHBondContact O-N 3.18Å; F50-Y53 WeakPolarHBondContact O-CB 3.32Å; F50-Y53 PolarHBondContact O-N 3.31Å; F50-Y53 VanDerWaalsContact O-N 3.16Å; L51-Y53 VanDerWaalsContact C-N 3.33Å; L51-Y53 PolarHBondContact O-N 2.93Å; Y53-F56 WeakPolarHBondContact O-CB 3.23Å; Y53-F56 PolarHBondContact O-N 2.85Å; Y53-V57 HydrophobicContact CD1-CG2 4.33Å; Y53-V57 HydrophobicContact CD2-CG2 4.41Å; Y53-V57 HydrophobicContact CE1-CG2 3.87Å; Y53-V57 HydrophobicContact CE2-CG2 3.97Å; Y53-V57 WeakPolarHBondContact O-CG2 3.47Å; Y53-V57 PolarHBondContact O-N 3.31Å; Y53-F81 VanDerWaalsContact CA-CD1 3.44Å; Y53-F81 HydrophobicContact CD2-CD1 4.45Å; Y53-F81 HydrophobicContact CD2-CD2 4.08Å; Y53-F81 HydrophobicContact CD2-CE1 4.24Å; Y53-F81 AromaticContact CD2-CE2 3.88Å; Y53-F81 HydrophobicContact CD2-CE2 3.88Å; Y53-F81 HydrophobicContact CD2-CG 4.39Å; Y53-F81 AromaticContact CD2-CZ 3.96Å; Y53-F81 HydrophobicContact CD2-CZ 3.96Å
54	K	54.2	Low	65.9	Low	59 Å²	59	76.9 Å²	76.9	26%	0.257	43%	0.426	S	S	.	.	H	α-helix	trans	-60	-48.3	175.6	-86.4	-172.5	167.1	-178.8	0	112	F50 L51 F56 V57 A58	F50-K54 HydrophobicContact CD1-CD 4.36Å; F50-K54 HydrophobicContact CE1-CD 3.79Å; F50-K54 HydrophobicContact CE1-CG 4.24Å; F50-K54 HydrophobicContact CZ-CD 4.29Å; F50-K54 HydrophobicContact CZ-CG 4.41Å; F50-K54 PolarHBondContact O-N 3.46Å; L51-K54 PolarHBondContact O-N 3.37Å; K54-F56 VanDerWaalsContact C-N 3.28Å; K54-F56 PolarHBondContact O-N 3.5Å; K54-V57 PolarHBondContact O-N 3.03Å; K54-A58 VanDerWaalsContact O-CB 3.31Å; K54-A58 WeakPolarHBondContact O-CB 3.3Å; K54-A58 PolarHBondContact O-N 3.33Å
55	Q	72.8	Confident	66.3	Low	79 Å²	79	75.2 Å²	75.2	37%	0.369	41%	0.412	S	S	.	.	H	α-helix	trans	-60.3	-42	177.1	-74.5	-180	-3.4	0	0	110.5	L51 A52 V57 A58 R59 L77	L51-Q55 WeakPolarHBondContact O-CB 3.46Å; L51-Q55 WeakPolarHBondContact O-CG 3.31Å; L51-Q55 PolarHBondContact O-N 2.79Å; A52-Q55 PolarHBondContact O-N 2.92Å; Q55-V57 PolarHBondContact O-N 2.79Å; Q55-A58 PolarHBondContact O-N 3.18Å; Q55-R59 VanDerWaalsContact O-CB 3.24Å; Q55-R59 WeakPolarHBondContact O-CB 3.39Å; Q55-R59 PolarHBondContact O-N 3.07Å; Q55-L77 HydrophobicContact CB-CD1 4.01Å; Q55-L77 HydrophobicContact CB-CD2 3.86Å
56	F	75	Confident	66.4	Low	69 Å²	69	73.4 Å²	73.4	30%	0.303	41%	0.412	S	S	.	.	H	α-helix	trans	-59.4	-46.8	176.2	-178.7	-90.8	0	0	0	112.6	A52 Y53 K54 R59 L74 L77 A78 F81	A52-F56 VanDerWaalsContact O-CB 3.29Å; A52-F56 WeakPolarHBondContact O-CB 3.19Å; A52-F56 PolarHBondContact O-N 3.46Å; Y53-F56 WeakPolarHBondContact O-CB 3.23Å; Y53-F56 PolarHBondContact O-N 2.85Å; K54-F56 VanDerWaalsContact C-N 3.28Å; K54-F56 PolarHBondContact O-N 3.5Å; F56-R59 PolarHBondContact O-N 3.43Å; F56-L74 HydrophobicContact CD2-CB 4.31Å; F56-L74 HydrophobicContact CD2-CD2 3.7Å; F56-L74 WeakPolarHBondContact CD2-O 3.48Å; F56-L74 HydrophobicContact CE2-CB 3.94Å; F56-L74 HydrophobicContact CE2-CD2 3.83Å; F56-L74 HydrophobicContact CE2-CG 4.39Å; F56-L74 WeakPolarHBondContact CE2-O 3.33Å; F56-L74 HydrophobicContact CG-CD2 4.35Å; F56-L77 HydrophobicContact CB-CB 4.01Å; F56-L77 HydrophobicContact CB-CD1 4.42Å; F56-L77 HydrophobicContact CD2-CB 4.08Å; F56-A78 HydrophobicContact CD2-CB 4.27Å; F56-A78 HydrophobicContact CE2-CB 3.96Å; F56-F81 HydrophobicContact CB-CD1 4.46Å; F56-F81 HydrophobicContact CB-CE1 3.55Å; F56-F81 HydrophobicContact CB-CZ 4.26Å; F56-F81 HydrophobicContact CD1-CE1 4.08Å; F56-F81 AromaticContact CD1-CZ 3.92Å; F56-F81 HydrophobicContact CD1-CZ 3.92Å; F56-F81 AromaticContact CD2-CE1 3.94Å; F56-F81 HydrophobicContact CD2-CE1 3.94Å; F56-F81 HydrophobicContact CD2-CZ 4.21Å; F56-F81 HydrophobicContact CE1-CZ 4.31Å; F56-F81 AromaticContact CG-CE1 3.6Å; F56-F81 HydrophobicContact CG-CE1 3.6Å; F56-F81 AromaticContact CG-CZ 3.88Å; F56-F81 HydrophobicContact CG-CZ 3.88Å
57	V	62.1	Low	66.6	Low	72 Å²	72	75.8 Å²	75.8	44%	0.436	42%	0.416	S	S	.	.	H	α-helix	trans	-68.4	-37.6	179.3	174	0	0	0	0	112.1	Y53 K54 Q55 R59 R60	Y53-V57 HydrophobicContact CD1-CG2 4.33Å; Y53-V57 HydrophobicContact CD2-CG2 4.41Å; Y53-V57 HydrophobicContact CE1-CG2 3.87Å; Y53-V57 HydrophobicContact CE2-CG2 3.97Å; Y53-V57 WeakPolarHBondContact O-CG2 3.47Å; Y53-V57 PolarHBondContact O-N 3.31Å; K54-V57 PolarHBondContact O-N 3.03Å; Q55-V57 PolarHBondContact O-N 2.79Å; V57-R59 VanDerWaalsContact C-N 3.35Å; V57-R60 PolarHBondContact O-NH1 3.21Å
58	A	68.2	Low	66.6	Low	70 Å²	70	79.9 Å²	79.9	58%	0.579	44%	0.436	S	S	*	.	H	α-helix	trans	-78.5	-17.5	179.7	0	0	0	0	0	113.3	K54 Q55 R60	K54-A58 VanDerWaalsContact O-CB 3.31Å; K54-A58 WeakPolarHBondContact O-CB 3.3Å; K54-A58 PolarHBondContact O-N 3.33Å; Q55-A58 PolarHBondContact O-N 3.18Å; A58-R60 PolarHBondContact O-N 2.84Å
59	R	80.4	Confident	67.1	Low	68 Å²	68	80.2 Å²	80.2	26%	0.257	44%	0.441	S	S	.	.			trans	-65.2	131.7	-174	-164.1	45	169	103.9	3.6	111.4	Q55 F56 V57 E65 F70 L74	Q55-R59 VanDerWaalsContact O-CB 3.24Å; Q55-R59 WeakPolarHBondContact O-CB 3.39Å; Q55-R59 PolarHBondContact O-N 3.07Å; F56-R59 PolarHBondContact O-N 3.43Å; V57-R59 VanDerWaalsContact C-N 3.35Å; R59-E65 IonicContact CZ-OE1 3.47Å; R59-E65 IonicContact CZ-OE2 3.84Å; R59-E65 VanDerWaalsContact CZ-OE2 3.26Å; R59-E65 IonicContact NH1-OE1 2.74Å; R59-E65 IonicContact NH1-OE2 3.79Å; R59-E65 PolarHBondContact NH1-OE2 2.83Å; R59-E65 IonicContact NH2-OE1 3.78Å; R59-E65 PolarHBondContact NH2-OE1 3.42Å; R59-E65 IonicContact NH2-OE2 3.11Å; R59-E65 PolarHBondContact NH2-OE2 2.78Å; R59-F70 HydrophobicContact CB-CE2 4.49Å; R59-F70 HydrophobicContact CG-CD2 4.23Å; R59-F70 HydrophobicContact CG-CE2 3.69Å; R59-L74 HydrophobicContact CB-CD2 3.87Å; R59-L74 HydrophobicContact CG-CD2 3.94Å
60	R	77.8	Confident	67.4	Low	172 Å²	172	78.7 Å²	78.7	65%	0.649	43%	0.426	S	S	*	.			trans	-131.6	144.9	174.8	-61	-65.4	179	-87.9	-2.7	108.6	V57 A58 G62	V57-R60 PolarHBondContact O-NH1 3.21Å; A58-R60 PolarHBondContact O-N 2.84Å; R60-G62 PolarHBondContact O-N 3.29Å
61	L	72.3	Confident	68.5	Low	82 Å²	82	77.8 Å²	77.8	43%	0.429	43%	0.425	S	S	.	.			trans	-59.9	125.9	179.2	179.9	66.9	0	0	0	109.6	E65 L67 F70	L61-E65 HydrophobicContact CD1-CB 4.2Å; L61-E65 HydrophobicContact CD1-CG 4.26Å; L61-L67 HydrophobicContact CD2-CD1 3.85Å; L61-F70 HydrophobicContact CB-CD2 4.12Å; L61-F70 HydrophobicContact CB-CE2 4.2Å; L61-F70 HydrophobicContact CB-CG 4.32Å; L61-F70 HydrophobicContact CB-CZ 4.49Å; L61-F70 HydrophobicContact CD1-CB 3.46Å; L61-F70 VanDerWaalsContact CD1-CB 3.46Å; L61-F70 HydrophobicContact CD1-CD1 4.29Å; L61-F70 HydrophobicContact CD1-CD2 4.08Å; L61-F70 HydrophobicContact CD1-CG 3.7Å
62	G	68.5	Low	69.1	Low	25 Å²	25	79.6 Å²	79.6	26%	0.258	44%	0.438	S	S	.	.			trans	-67.8	148.9	174.4	0	0	0	0	0	111.1	R60 D64 E65	R60-G62 PolarHBondContact O-N 3.29Å; G62-D64 PolarHBondContact O-N 2.96Å; G62-E65 PolarHBondContact N-OE2 2.76Å; G62-E65 VanDerWaalsContact N-OE2 3.16Å; G62-E65 PolarHBondContact O-N 3.41Å
63	G	70.8	Confident	69.6	Low	95 Å²	95	82 Å²	82	98%	0.979	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.8	-177.5	0	0	0	0	0	114.6
64	D	73.7	Confident	70.4	Confident	160 Å²	160	78 Å²	78	86%	0.856	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	4.3	179.4	59	-29.4	0	0	0	113.1	G62	G62-D64 PolarHBondContact O-N 2.96Å
65	E	74.8	Confident	71.3	Confident	43 Å²	43	83.1 Å²	83.1	20%	0.201	45%	0.453	C	S	.	.			trans	-91	137.3	-176.9	-176.4	177	-155.2	0	0	111.6	R59 L61 G62 V69 F70	R59-E65 IonicContact CZ-OE1 3.47Å; R59-E65 IonicContact CZ-OE2 3.84Å; R59-E65 VanDerWaalsContact CZ-OE2 3.26Å; R59-E65 IonicContact NH1-OE1 2.74Å; R59-E65 IonicContact NH1-OE2 3.79Å; R59-E65 PolarHBondContact NH1-OE2 2.83Å; R59-E65 IonicContact NH2-OE1 3.78Å; R59-E65 PolarHBondContact NH2-OE1 3.42Å; R59-E65 IonicContact NH2-OE2 3.11Å; R59-E65 PolarHBondContact NH2-OE2 2.78Å; L61-E65 HydrophobicContact CD1-CB 4.2Å; L61-E65 HydrophobicContact CD1-CG 4.26Å; G62-E65 PolarHBondContact N-OE2 2.76Å; G62-E65 VanDerWaalsContact N-OE2 3.16Å; G62-E65 PolarHBondContact O-N 3.41Å; E65-V69 HydrophobicContact CG-CB 4.18Å; E65-V69 HydrophobicContact CG-CG1 4.18Å; E65-V69 WeakPolarHBondContact OE1-CG1 3.47Å; E65-F70 HydrophobicContact CG-CB 4.46Å
66	S	69	Low	71.5	Confident	62 Å²	62	85.9 Å²	85.9	43%	0.434	46%	0.46	S	S	.	.			trans	-74.3	147.1	173.4	80.7	0	0	0	0	111.7	D68 V69 F70	S66-D68 PolarHBondContact O-N 3.4Å; S66-V69 PolarHBondContact O-N 3.17Å; S66-V69 VanDerWaalsContact O-N 3.12Å; S66-V69 VanDerWaalsContact OG-CG2 3.24Å; S66-V69 WeakPolarHBondContact OG-CG2 3.46Å; S66-V69 PolarHBondContact OG-N 3.45Å; S66-F70 PolarHBondContact O-N 3.1Å; S66-F70 VanDerWaalsContact O-N 3.13Å
67	L	65.5	Low	71.4	Confident	110 Å²	110	82.8 Å²	82.8	58%	0.576	45%	0.447	S	S	*	.	H	α-helix	trans	-58.4	-36	-178.2	-145.5	93.5	0	0	0	112.4	L61 F70 L71	L61-L67 HydrophobicContact CD2-CD1 3.85Å; L67-F70 PolarHBondContact O-N 2.81Å; L67-L71 HydrophobicContact CD2-CD1 4.4Å; L67-L71 WeakPolarHBondContact O-CG 3.18Å; L67-L71 PolarHBondContact O-N 3.16Å
68	D	60.6	Low	71.8	Confident	121 Å²	121	80.7 Å²	80.7	65%	0.647	44%	0.437	S	S	*	.	H	α-helix	trans	-64.7	-43.3	177.9	-66.7	-42	0	0	0	111.8	S66 F70 L71 V72	S66-D68 PolarHBondContact O-N 3.4Å; D68-F70 VanDerWaalsContact C-N 3.34Å; D68-F70 PolarHBondContact O-N 3.25Å; D68-L71 PolarHBondContact O-N 3.37Å; D68-V72 WeakPolarHBondContact O-CB 3.49Å; D68-V72 WeakPolarHBondContact O-CG2 3.32Å; D68-V72 PolarHBondContact O-N 3.16Å
69	V	71.2	Confident	71.8	Confident	79 Å²	79	79.1 Å²	79.1	48%	0.479	42%	0.422	S	S	.	.	H	α-helix	trans	-64.1	-42.1	178	175.5	0	0	0	0	110.3	E65 S66 V72 E73	E65-V69 HydrophobicContact CG-CB 4.18Å; E65-V69 HydrophobicContact CG-CG1 4.18Å; E65-V69 WeakPolarHBondContact OE1-CG1 3.47Å; S66-V69 PolarHBondContact O-N 3.17Å; S66-V69 VanDerWaalsContact O-N 3.12Å; S66-V69 VanDerWaalsContact OG-CG2 3.24Å; S66-V69 WeakPolarHBondContact OG-CG2 3.46Å; S66-V69 PolarHBondContact OG-N 3.45Å; V69-V72 PolarHBondContact O-N 3.01Å; V69-E73 PolarHBondContact O-N 3.33Å
70	F	66.6	Low	71.1	Confident	33 Å²	33	79.4 Å²	79.4	15%	0.145	43%	0.428	C	S	.	.	H	α-helix	trans	-61.7	-46.2	176.2	176.8	-103.5	0	0	0	112.6	R59 L61 E65 S66 L67 D68 E73 L74	R59-F70 HydrophobicContact CB-CE2 4.49Å; R59-F70 HydrophobicContact CG-CD2 4.23Å; R59-F70 HydrophobicContact CG-CE2 3.69Å; L61-F70 HydrophobicContact CB-CD2 4.12Å; L61-F70 HydrophobicContact CB-CE2 4.2Å; L61-F70 HydrophobicContact CB-CG 4.32Å; L61-F70 HydrophobicContact CB-CZ 4.49Å; L61-F70 HydrophobicContact CD1-CB 3.46Å; L61-F70 VanDerWaalsContact CD1-CB 3.46Å; L61-F70 HydrophobicContact CD1-CD1 4.29Å; L61-F70 HydrophobicContact CD1-CD2 4.08Å; L61-F70 HydrophobicContact CD1-CG 3.7Å; E65-F70 HydrophobicContact CG-CB 4.46Å; S66-F70 PolarHBondContact O-N 3.1Å; S66-F70 VanDerWaalsContact O-N 3.13Å; L67-F70 PolarHBondContact O-N 2.81Å; D68-F70 VanDerWaalsContact C-N 3.34Å; D68-F70 PolarHBondContact O-N 3.25Å; F70-E73 PolarHBondContact O-N 3.08Å; F70-L74 HydrophobicContact CD1-CD1 3.98Å; F70-L74 HydrophobicContact CD1-CG 4.49Å; F70-L74 HydrophobicContact CE1-CD1 3.36Å; F70-L74 HydrophobicContact CE1-CG 4.13Å; F70-L74 HydrophobicContact CE2-CD1 4.44Å; F70-L74 HydrophobicContact CE2-CG 4.46Å; F70-L74 HydrophobicContact CZ-CD1 3.64Å; F70-L74 HydrophobicContact CZ-CD2 4.43Å; F70-L74 HydrophobicContact CZ-CG 4.11Å; F70-L74 WeakPolarHBondContact O-CG 3.35Å; F70-L74 PolarHBondContact O-N 3.33Å
71	L	70.6	Confident	70.3	Confident	69 Å²	69	73.7 Å²	73.7	36%	0.361	41%	0.408	S	S	.	.	H	α-helix	trans	-67.3	-36.4	178.1	-71.7	176.1	0	0	0	112.4	L67 D68 E73 L74 R75	L67-L71 HydrophobicContact CD2-CD1 4.4Å; L67-L71 WeakPolarHBondContact O-CG 3.18Å; L67-L71 PolarHBondContact O-N 3.16Å; D68-L71 PolarHBondContact O-N 3.37Å; L71-E73 VanDerWaalsContact C-N 3.34Å; L71-L74 PolarHBondContact O-N 2.71Å; L71-R75 WeakPolarHBondContact O-CG 3.29Å; L71-R75 PolarHBondContact O-N 3.33Å
72	V	75.1	Confident	69.8	Low	88 Å²	88	72.6 Å²	72.6	53%	0.533	41%	0.407	S	S	.	.	H	α-helix	trans	-62.1	-43.6	174.3	167.6	0	0	0	0	110.6	D68 V69 R75 R76	D68-V72 WeakPolarHBondContact O-CB 3.49Å; D68-V72 WeakPolarHBondContact O-CG2 3.32Å; D68-V72 PolarHBondContact O-N 3.16Å; V69-V72 PolarHBondContact O-N 3.01Å; V72-R75 PolarHBondContact O-N 3.12Å; V72-R76 WeakPolarHBondContact O-CB 3.1Å; V72-R76 PolarHBondContact O-N 2.93Å
73	E	74.1	Confident	69	Low	50 Å²	50	75 Å²	75	23%	0.234	43%	0.432	C	S	.	.	H	α-helix	trans	-69.5	-40.2	178.2	-170.4	62.6	-171.2	0	0	112.1	V69 F70 L71 R75 R76 L77	V69-E73 PolarHBondContact O-N 3.33Å; F70-E73 PolarHBondContact O-N 3.08Å; L71-E73 VanDerWaalsContact C-N 3.34Å; E73-R75 VanDerWaalsContact C-N 3.33Å; E73-R75 PolarHBondContact O-N 3.08Å; E73-R76 WeakPolarHBondContact O-CB 3.27Å; E73-R76 PolarHBondContact O-N 3.49Å; E73-R76 IonicContact OE1-CZ 3.93Å; E73-R76 IonicContact OE1-NH1 2.83Å; E73-R76 PolarHBondContact OE1-NH1 3.35Å; E73-R76 WeakPolarHBondContact OE2-CD 3.42Å; E73-R76 IonicContact OE2-NH1 3.43Å; E73-R76 PolarHBondContact OE2-NH1 3.24Å; E73-R76 VanDerWaalsContact OE2-NH1 3.11Å; E73-L77 HydrophobicContact CG-CD1 4.28Å; E73-L77 WeakPolarHBondContact O-CG 3.48Å; E73-L77 PolarHBondContact O-N 3.48Å
74	L	74.4	Confident	67.5	Low	32 Å²	32	73.3 Å²	73.3	17%	0.168	40%	0.402	C	S	.	.	H	α-helix	trans	-59.7	-42.4	172.7	-76.1	-176	0	0	0	112	F56 R59 F70 L71 L77 A78	F56-L74 HydrophobicContact CD2-CB 4.31Å; F56-L74 HydrophobicContact CD2-CD2 3.7Å; F56-L74 WeakPolarHBondContact CD2-O 3.48Å; F56-L74 HydrophobicContact CE2-CB 3.94Å; F56-L74 HydrophobicContact CE2-CD2 3.83Å; F56-L74 HydrophobicContact CE2-CG 4.39Å; F56-L74 WeakPolarHBondContact CE2-O 3.33Å; F56-L74 HydrophobicContact CG-CD2 4.35Å; R59-L74 HydrophobicContact CB-CD2 3.87Å; R59-L74 HydrophobicContact CG-CD2 3.94Å; F70-L74 HydrophobicContact CD1-CD1 3.98Å; F70-L74 HydrophobicContact CD1-CG 4.49Å; F70-L74 HydrophobicContact CE1-CD1 3.36Å; F70-L74 HydrophobicContact CE1-CG 4.13Å; F70-L74 HydrophobicContact CE2-CD1 4.44Å; F70-L74 HydrophobicContact CE2-CG 4.46Å; F70-L74 HydrophobicContact CZ-CD1 3.64Å; F70-L74 HydrophobicContact CZ-CD2 4.43Å; F70-L74 HydrophobicContact CZ-CG 4.11Å; F70-L74 WeakPolarHBondContact O-CG 3.35Å; F70-L74 PolarHBondContact O-N 3.33Å; L71-L74 PolarHBondContact O-N 2.71Å; L74-L77 PolarHBondContact O-N 2.91Å; L74-A78 VanDerWaalsContact O-CB 3.28Å; L74-A78 WeakPolarHBondContact O-CB 3.08Å; L74-A78 PolarHBondContact O-N 3.44Å
75	R	72.8	Confident	65.7	Low	166 Å²	166	69.2 Å²	69.2	63%	0.626	39%	0.386	S	S	*	.	H	α-helix	trans	-62.3	-46	174.3	-76.7	-177.6	-167.9	133.5	2.1	111.4	L71 V72 E73 L77 A78 S79	L71-R75 WeakPolarHBondContact O-CG 3.29Å; L71-R75 PolarHBondContact O-N 3.33Å; V72-R75 PolarHBondContact O-N 3.12Å; E73-R75 VanDerWaalsContact C-N 3.33Å; E73-R75 PolarHBondContact O-N 3.08Å; R75-L77 PolarHBondContact O-N 3.32Å; R75-A78 PolarHBondContact O-N 2.71Å; R75-S79 PolarHBondContact O-N 3.31Å; R75-S79 PolarHBondContact O-OG 3.12Å; R75-S79 VanDerWaalsContact O-OG 3.1Å
76	R	79	Confident	64	Low	138 Å²	138	72.9 Å²	72.9	52%	0.521	41%	0.407	S	S	.	.	H	α-helix	trans	-56.7	-49.2	176.7	179.8	-170.6	167.5	-145	-3.6	111.2	V72 E73 S79 L80	V72-R76 WeakPolarHBondContact O-CB 3.1Å; V72-R76 PolarHBondContact O-N 2.93Å; E73-R76 WeakPolarHBondContact O-CB 3.27Å; E73-R76 PolarHBondContact O-N 3.49Å; E73-R76 IonicContact OE1-CZ 3.93Å; E73-R76 IonicContact OE1-NH1 2.83Å; E73-R76 PolarHBondContact OE1-NH1 3.35Å; E73-R76 WeakPolarHBondContact OE2-CD 3.42Å; E73-R76 IonicContact OE2-NH1 3.43Å; E73-R76 PolarHBondContact OE2-NH1 3.24Å; E73-R76 VanDerWaalsContact OE2-NH1 3.11Å; R76-S79 PolarHBondContact O-N 3.12Å; R76-L80 HydrophobicContact CG-CD1 4.34Å; R76-L80 VanDerWaalsContact O-CG 3.3Å; R76-L80 WeakPolarHBondContact O-CG 3.04Å; R76-L80 PolarHBondContact O-N 3.15Å; R76-L80 VanDerWaalsContact O-N 3.13Å
77	L	71.2	Confident	62.3	Low	4 Å²	4	78.6 Å²	78.6	2%	0.021	42%	0.424	C	S	.	.	H	α-helix	trans	-62.3	-43.4	177.4	-68.4	170.8	0	0	0	111.4	Q55 F56 E73 L74 R75 S79 L80 F81	Q55-L77 HydrophobicContact CB-CD1 4.01Å; Q55-L77 HydrophobicContact CB-CD2 3.86Å; F56-L77 HydrophobicContact CB-CB 4.01Å; F56-L77 HydrophobicContact CB-CD1 4.42Å; F56-L77 HydrophobicContact CD2-CB 4.08Å; E73-L77 HydrophobicContact CG-CD1 4.28Å; E73-L77 WeakPolarHBondContact O-CG 3.48Å; E73-L77 PolarHBondContact O-N 3.48Å; L74-L77 PolarHBondContact O-N 2.91Å; R75-L77 PolarHBondContact O-N 3.32Å; L77-S79 PolarHBondContact O-N 3.42Å; L77-L80 HydrophobicContact CD2-CD1 4.49Å; L77-L80 WeakPolarHBondContact O-CB 3.29Å; L77-L80 PolarHBondContact O-N 3.11Å; L77-F81 WeakPolarHBondContact O-CD1 3.42Å; L77-F81 WeakPolarHBondContact O-CE1 3.14Å; L77-F81 PolarHBondContact O-N 2.84Å
78	A	70.8	Confident	60.7	Low	27 Å²	27	75.7 Å²	75.7	22%	0.223	42%	0.417	C	S	.	.	H	α-helix	trans	-59.6	-43.4	175.1	0	0	0	0	0	113.1	F56 L74 R75 L80 F81 S82	F56-A78 HydrophobicContact CD2-CB 4.27Å; F56-A78 HydrophobicContact CE2-CB 3.96Å; L74-A78 VanDerWaalsContact O-CB 3.28Å; L74-A78 WeakPolarHBondContact O-CB 3.08Å; L74-A78 PolarHBondContact O-N 3.44Å; R75-A78 PolarHBondContact O-N 2.71Å; A78-L80 VanDerWaalsContact C-N 3.28Å; A78-L80 PolarHBondContact O-N 2.86Å; A78-F81 HydrophobicContact CB-CE1 4.26Å; A78-F81 HydrophobicContact CB-CZ 4.11Å; A78-F81 PolarHBondContact O-N 3.48Å; A78-S82 WeakPolarHBondContact O-CB 3.23Å; A78-S82 PolarHBondContact O-N 2.84Å; A78-S82 PolarHBondContact O-OG 2.82Å
79	S	67.7	Low	59.2	Low	37 Å²	37	75.3 Å²	75.3	26%	0.259	41%	0.414	S	S	.	.	H	α-helix	trans	-63	-34.5	176.1	-61.9	0	0	0	0	112.2	R75 R76 L77 F81	R75-S79 PolarHBondContact O-N 3.31Å; R75-S79 PolarHBondContact O-OG 3.12Å; R75-S79 VanDerWaalsContact O-OG 3.1Å; R76-S79 PolarHBondContact O-N 3.12Å; L77-S79 PolarHBondContact O-N 3.42Å; S79-F81 VanDerWaalsContact C-N 3.35Å; S79-F81 PolarHBondContact O-N 3.41Å
80	L	66.6	Low	57.2	Low	75 Å²	75	82 Å²	82	39%	0.393	43%	0.43	S	S	.	.	H	α-helix	trans	-68.3	-28.4	179.4	-71.5	166.7	0	0	0	113.6	V47 A52 R76 L77 A78	V47-L80 HydrophobicContact CB-CD1 4.35Å; A52-L80 HydrophobicContact CB-CB 3.54Å; A52-L80 HydrophobicContact CB-CD1 4.37Å; R76-L80 HydrophobicContact CG-CD1 4.34Å; R76-L80 VanDerWaalsContact O-CG 3.3Å; R76-L80 WeakPolarHBondContact O-CG 3.04Å; R76-L80 PolarHBondContact O-N 3.15Å; R76-L80 VanDerWaalsContact O-N 3.13Å; L77-L80 HydrophobicContact CD2-CD1 4.49Å; L77-L80 WeakPolarHBondContact O-CB 3.29Å; L77-L80 PolarHBondContact O-N 3.11Å; A78-L80 VanDerWaalsContact C-N 3.28Å; A78-L80 PolarHBondContact O-N 2.86Å
81	F	62	Low	55.2	Low	51 Å²	51	83.6 Å²	83.6	22%	0.224	46%	0.456	C	S	.	.	H	α-helix	trans	-110.1	-17.1	179.3	69.2	-107.4	0	0	0	116.2	S49 A52 Y53 F56 L77 A78 S79 G83	S49-F81 WeakPolarHBondContact O-CB 3.47Å; S49-F81 VanDerWaalsContact OG-CA 3.32Å; S49-F81 WeakPolarHBondContact OG-CA 3.29Å; S49-F81 WeakPolarHBondContact OG-CB 3.48Å; S49-F81 PolarHBondContact OG-O 3.43Å; A52-F81 HydrophobicContact CB-CB 4.23Å; A52-F81 HydrophobicContact CB-CD1 4.1Å; Y53-F81 VanDerWaalsContact CA-CD1 3.44Å; Y53-F81 HydrophobicContact CD2-CD1 4.45Å; Y53-F81 HydrophobicContact CD2-CD2 4.08Å; Y53-F81 HydrophobicContact CD2-CE1 4.24Å; Y53-F81 AromaticContact CD2-CE2 3.88Å; Y53-F81 HydrophobicContact CD2-CE2 3.88Å; Y53-F81 HydrophobicContact CD2-CG 4.39Å; Y53-F81 AromaticContact CD2-CZ 3.96Å; Y53-F81 HydrophobicContact CD2-CZ 3.96Å; F56-F81 HydrophobicContact CB-CD1 4.46Å; F56-F81 HydrophobicContact CB-CE1 3.55Å; F56-F81 HydrophobicContact CB-CZ 4.26Å; F56-F81 HydrophobicContact CD1-CE1 4.08Å; F56-F81 AromaticContact CD1-CZ 3.92Å; F56-F81 HydrophobicContact CD1-CZ 3.92Å; F56-F81 AromaticContact CD2-CE1 3.94Å; F56-F81 HydrophobicContact CD2-CE1 3.94Å; F56-F81 HydrophobicContact CD2-CZ 4.21Å; F56-F81 HydrophobicContact CE1-CZ 4.31Å; F56-F81 AromaticContact CG-CE1 3.6Å; F56-F81 HydrophobicContact CG-CE1 3.6Å; F56-F81 AromaticContact CG-CZ 3.88Å; F56-F81 HydrophobicContact CG-CZ 3.88Å; L77-F81 WeakPolarHBondContact O-CD1 3.42Å; L77-F81 WeakPolarHBondContact O-CE1 3.14Å; L77-F81 PolarHBondContact O-N 2.84Å; A78-F81 HydrophobicContact CB-CE1 4.26Å; A78-F81 HydrophobicContact CB-CZ 4.11Å; A78-F81 PolarHBondContact O-N 3.48Å; S79-F81 VanDerWaalsContact C-N 3.35Å; S79-F81 PolarHBondContact O-N 3.41Å; F81-G83 VanDerWaalsContact C-N 3.27Å; F81-G83 PolarHBondContact O-N 3.26Å
82	S	60	Low	53.1	Low	60 Å²	60	85.4 Å²	85.4	42%	0.42	47%	0.472	S	S	.	.	H	α-helix	trans	-76.2	-15	-179.8	59	0	0	0	0	113.4	A78 V84	A78-S82 WeakPolarHBondContact O-CB 3.23Å; A78-S82 PolarHBondContact O-N 2.84Å; A78-S82 PolarHBondContact O-OG 2.82Å; S82-V84 PolarHBondContact O-N 2.85Å
83	G	51.7	Low	50.7	Low	75 Å²	75	89.9 Å²	89.9	77%	0.773	49%	0.487	S	S	*	.			trans	69	7.5	-173.5	0	0	0	0	0	113.9	F81	F81-G83 VanDerWaalsContact C-N 3.27Å; F81-G83 PolarHBondContact O-N 3.26Å
84	V	40.9	Very low	48.6	Very low	59 Å²	59	93.3 Å²	93.3	36%	0.358	51%	0.514	S	S	.	.			trans	-90.6	105.8	179.7	-174.8	0	0	0	0	108.4	S82 A88 L89	S82-V84 PolarHBondContact O-N 2.85Å; V84-A88 HydrophobicContact CG1-CB 3.87Å; V84-L89 HydrophobicContact CG1-CG 4.08Å
85	S	35.9	Very low	46.3	Very low	74 Å²	74	100.3 Å²	100.3	52%	0.517	55%	0.546	S	S	.	.			trans	-63	150.3	172.6	75.3	0	0	0	0	110.9	K87 A88 L89	S85-K87 PolarHBondContact O-N 3.34Å; S85-A88 WeakPolarHBondContact O-CA 3.3Å; S85-A88 WeakPolarHBondContact O-CB 3.23Å; S85-A88 PolarHBondContact O-N 3.37Å; S85-L89 PolarHBondContact O-N 2.92Å
86	D	37.8	Very low	44.7	Very low	120 Å²	120	97 Å²	97	64%	0.642	55%	0.546	S	S	*	.	H	α-helix	trans	-53.2	-25.4	173.6	-92	-14.2	0	0	0	113.1	A88 L89 R90	D86-A88 VanDerWaalsContact C-N 3.29Å; D86-A88 PolarHBondContact O-N 2.88Å; D86-L89 PolarHBondContact O-N 3.46Å; D86-R90 PolarHBondContact O-N 3.46Å
87	K	34	Very low	42.3	Very low	182 Å²	182	98.2 Å²	98.2	79%	0.791	56%	0.563	S	S	*	*	H	α-helix	trans	-69.4	-24	175.5	-137.8	179.1	-174	-178.8	0	113.2	S85	S85-K87 PolarHBondContact O-N 3.34Å
88	A	31.1	Very low	40.3	Very low	50 Å²	50	102.6 Å²	102.6	41%	0.413	59%	0.594	S	S	.	*	H	α-helix	trans	-88.9	-24.6	174	0	0	0	0	0	112.4	V84 S85 D86 R90	V84-A88 HydrophobicContact CG1-CB 3.87Å; S85-A88 WeakPolarHBondContact O-CA 3.3Å; S85-A88 WeakPolarHBondContact O-CB 3.23Å; S85-A88 PolarHBondContact O-N 3.37Å; D86-A88 VanDerWaalsContact C-N 3.29Å; D86-A88 PolarHBondContact O-N 2.88Å; A88-R90 VanDerWaalsContact C-N 3.31Å
89	L	30.6	Very low	38.2	Very low	113 Å²	113	113.8 Å²	113.8	59%	0.592	63%	0.63	S	S	*	*	H	α-helix	trans	-68.6	-29.9	169	-78.4	163	0	0	0	111.9	V84 S85 D86 G91	V84-L89 HydrophobicContact CG1-CG 4.08Å; S85-L89 PolarHBondContact O-N 2.92Å; D86-L89 PolarHBondContact O-N 3.46Å; L89-G91 VanDerWaalsContact C-N 3.29Å; L89-G91 PolarHBondContact O-N 3.13Å; L89-G91 VanDerWaalsContact O-N 3.16Å
90	R	28.2	Very low	36.3	Very low	219 Å²	219	115.8 Å²	115.8	83%	0.826	64%	0.644	S	S	*	*	S	Bend	trans	-81.6	81.1	159.6	-70.5	-173.7	-170	176.1	3.8	108.4	D86 A88	D86-R90 PolarHBondContact O-N 3.46Å; A88-R90 VanDerWaalsContact C-N 3.31Å
91	G	24.2	Very low	34.5	Very low	67 Å²	67	121.6 Å²	121.6	69%	0.691	67%	0.669	S	S	*	*			trans	-43	129.3	-171.3	0	0	0	0	0	114.1	L89	L89-G91 VanDerWaalsContact C-N 3.29Å; L89-G91 PolarHBondContact O-N 3.13Å; L89-G91 VanDerWaalsContact O-N 3.16Å
92	P	26.6	Very low	32.9	Very low	107 Å²	107	122.1 Å²	122.1	70%	0.695	68%	0.682	S	S	*	*			trans	-89	142.9	167	33.1	-28	0	0	0	110.4
93	E	26.3	Very low	31.6	Very low	181 Å²	181	130 Å²	130	85%	0.846	70%	0.703	S	S	*	*			trans	-54.2	139.4	176.7	-149.5	163	-161.4	0	0	111.5	Q95	E93-Q95 PolarHBondContact O-N 3.43Å
94	P	29	Very low	30.7	Very low	123 Å²	123	128.5 Å²	128.5	80%	0.799	69%	0.688	S	S	*	*			trans	-69.8	115.1	-163	25.7	-33.5	0	0	0	112.4
95	Q	25.8	Very low	30.4	Very low	178 Å²	178	132 Å²	132	83%	0.832	69%	0.694	S	S	*	*			trans	-92.6	123.3	165.7	-75.5	-97.3	-11.6	0	0	109.5	E93	E93-Q95 PolarHBondContact O-N 3.43Å
96	P	39.2	Very low	30.3	Very low	98 Å²	98	133.7 Å²	133.7	64%	0.636	70%	0.697	S	S	*	*			trans	-78.2	138	178.3	32.1	-29.8	0	0	0	108.8
97	N	29.6	Very low	30.1	Very low	163 Å²	163	132 Å²	132	87%	0.872	69%	0.687	S	S	*	*			trans	97.5	60.6	167.4	-40.3	-26.6	0	0	0	116.3
98	S	29	Very low	29.8	Very low	95 Å²	95	132.8 Å²	132.8	66%	0.664	69%	0.685	S	S	*	*			trans	-128.3	118.7	145.9	66.4	0	0	0	0	111.2	S100	S98-S100 PolarHBondContact O-N 3.23Å
99	R	26.3	Very low	30.1	Very low	262 Å²	262	133.8 Å²	133.8	99%	0.989	68%	0.682	S	S	*	*			trans	-88.9	85.8	171.2	-78.4	178.8	172.3	174.7	-2.2	107.6
100	S	28.5	Very low	30	Very low	80 Å²	80	131.9 Å²	131.9	56%	0.559	68%	0.675	S	S	*	*			trans	-110.6	137	164.2	58.2	0	0	0	0	109.7	S98 A102	S98-S100 PolarHBondContact O-N 3.23Å; S100-A102 PolarHBondContact O-N 3.16Å
101	H	27.9	Very low	30.5	Very low	197 Å²	197	123.3 Å²	123.3	91%	0.912	65%	0.647	S	S	*	*			trans	-53	105.3	-179.6	-72	-91.8	0	0	0	110.3	R103	H101-R103 PolarHBondContact O-N 3.3Å; H101-R103 VanDerWaalsContact O-N 3.16Å
102	A	28	Very low	30.7	Very low	61 Å²	61	124.2 Å²	124.2	50%	0.504	64%	0.636	S	S	.	*			trans	-81	99.1	-167.8	0	0	0	0	0	112	S100 R105	S100-A102 PolarHBondContact O-N 3.16Å; A102-R105 HydrophobicContact CB-CG 3.98Å; A102-R105 VanDerWaalsContact CB-NE 3.33Å
103	R	33.2	Very low	30.9	Very low	227 Å²	227	124 Å²	124	86%	0.857	63%	0.626	S	S	*	*	S	Bend	trans	-72.4	125.9	147	-81.7	175.5	166.5	168.5	-4.8	107.8	H101	H101-R103 PolarHBondContact O-N 3.3Å; H101-R103 VanDerWaalsContact O-N 3.16Å
104	G	33.7	Very low	30.9	Very low	43 Å²	43	122.4 Å²	122.4	44%	0.443	62%	0.62	S	S	.	*	S	Bend	trans	56.5	81.5	167.6	0	0	0	0	0	116.3	V154	G104-V154 VanDerWaalsContact CA-O 3.25Å; G104-V154 WeakPolarHBondContact CA-O 3.34Å
105	R	34	Very low	31.1	Very low	133 Å²	133	120.6 Å²	120.6	50%	0.502	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.9	130.3	167	-82.1	179.5	-171.7	-170	4.2	110.2	A102 L107 V154	A102-R105 HydrophobicContact CB-CG 3.98Å; A102-R105 VanDerWaalsContact CB-NE 3.33Å; R105-L107 HydrophobicContact CB-CD1 4.5Å; R105-L107 HydrophobicContact CB-CG 4.24Å; R105-L107 PolarHBondContact O-N 3.4Å; R105-V154 PolarHBondContact N-O 3.3Å; R105-V154 PolarHBondContact O-N 2.85Å
106	L	33.6	Very low	31.4	Very low	108 Å²	108	119.5 Å²	119.5	57%	0.565	60%	0.603	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.2	117.5	162.6	-167.1	74.3	0	0	0	107.8	E151 A152 I153	L106-E151 HydrophobicContact CD1-CB 4.35Å; L106-A152 WeakPolarHBondContact CA-O 3.37Å; L106-I153 HydrophobicContact CD1-CG1 3.72Å
107	L	34.5	Very low	31.1	Very low	84 Å²	84	121.6 Å²	121.6	44%	0.44	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124	133.8	179.3	-75.3	168.6	0	0	0	108.8	R105 M109 A152 V154	R105-L107 HydrophobicContact CB-CD1 4.5Å; R105-L107 HydrophobicContact CB-CG 4.24Å; R105-L107 PolarHBondContact O-N 3.4Å; L107-M109 PolarHBondContact O-N 3.17Å; L107-A152 PolarHBondContact N-O 2.94Å; L107-A152 PolarHBondContact O-N 3.24Å; L107-V154 HydrophobicContact CB-CG2 4.2Å; L107-V154 HydrophobicContact CD1-CB 4.2Å; L107-V154 HydrophobicContact CD1-CG2 3.65Å; L107-V154 HydrophobicContact CG-CG2 4.34Å
108	R	27.8	Very low	31.1	Very low	200 Å²	200	118.3 Å²	118.3	76%	0.755	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.3	121.6	165.1	-78.6	-176.7	-152	164.7	10.9	108.7	E151	R108-E151 HydrophobicContact CG-CG 4.1Å; R108-E151 IonicContact NE-OE1 3.69Å
109	M	35.6	Very low	31.7	Very low	71 Å²	71	119.2 Å²	119.2	35%	0.35	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.5	128.6	179.3	-160.8	172.7	87.3	0	0	109.7	L107 V111 I150 A152 F164	L107-M109 PolarHBondContact O-N 3.17Å; M109-V111 HydrophobicContact CE-CG2 3.81Å; M109-I150 PolarHBondContact N-O 3.44Å; M109-I150 PolarHBondContact O-N 3.25Å; M109-A152 HydrophobicContact CB-CB 4.44Å; M109-F164 HydrophobicContact CE-CD2 4.13Å; M109-F164 HydrophobicContact CE-CE1 3.93Å; M109-F164 HydrophobicContact CE-CE2 3.38Å; M109-F164 HydrophobicContact CE-CZ 3.26Å; M109-F164 HydrophobicContact SD-CE2 3.78Å; M109-F164 HydrophobicContact SD-CZ 4.08Å
110	T	29.6	Very low	32	Very low	72 Å²	72	112.1 Å²	112.1	44%	0.442	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.3	112.4	172.6	-48.2	0	0	0	0	108.6	V147 Q149	T110-V147 HydrophobicContact CG2-CG1 3.13Å; T110-Q149 PolarHBondContact OG1-NE2 3.06Å
111	V	37.5	Very low	32.1	Very low	39 Å²	39	110.1 Å²	110.1	24%	0.236	58%	0.582	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.5	119.9	174.1	-176.6	0	0	0	0	108.6	M109 V148 I150	M109-V111 HydrophobicContact CE-CG2 3.81Å; V111-V148 PolarHBondContact N-O 3.23Å; V111-V148 PolarHBondContact O-N 3.36Å; V111-I150 HydrophobicContact CG2-CD1 4.03Å
112	L	30.2	Very low	32.2	Very low	86 Å²	86	106.1 Å²	106.1	45%	0.45	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.2	121.6	176.3	-76.7	158.6	0	0	0	109.2	M114 V147	L112-M114 PolarHBondContact O-N 2.92Å; L112-V147 HydrophobicContact CD2-CG2 3.54Å
113	E	30.3	Very low	32.2	Very low	104 Å²	104	115.2 Å²	115.2	49%	0.486	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-71.7	117.7	166.4	-168.1	175	-166.4	0	0	109.3
114	M	26.7	Very low	31.9	Very low	146 Å²	146	113.4 Å²	113.4	72%	0.719	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-86.1	124.1	177.2	-66.2	-75.9	-76.7	0	0	109	L112	L112-M114 PolarHBondContact O-N 2.92Å
115	P	31.5	Very low	31.6	Very low	85 Å²	85	123.1 Å²	123.1	55%	0.552	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-60.1	145.4	174.2	21.9	-30	0	0	0	111.2	K117 P142	P115-K117 PolarHBondContact O-N 3.06Å; P115-K117 VanDerWaalsContact O-N 3.17Å; P115-P142 HydrophobicContact CG-CB 4.07Å
116	E	33	Very low	31.3	Very low	156 Å²	156	121 Å²	121	73%	0.729	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-48.2	118.5	-172.4	-80.4	-171.3	150.3	0	0	112.1	R184	E116-R184 IonicContact OE1-NH1 2.73Å
117	K	32.9	Very low	31	Very low	141 Å²	141	119.7 Å²	119.7	61%	0.613	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-69	127.6	172.4	-158.8	-174.3	-167.8	-165.4	0	108.5	P115 A121 P122	P115-K117 PolarHBondContact O-N 3.06Å; P115-K117 VanDerWaalsContact O-N 3.17Å; K117-A121 HydrophobicContact CD-CB 3.9Å; K117-A121 HydrophobicContact CG-CB 4.13Å; K117-P122 PolarHBondContact NZ-O 3.23Å
118	P	29.6	Very low	30.7	Very low	94 Å²	94	119.3 Å²	119.3	61%	0.61	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-60.8	143.7	179.1	21	-30.1	0	0	0	111.1	S120 A121	P118-S120 PolarHBondContact O-N 2.85Å; P118-A121 PolarHBondContact O-N 3.47Å
119	A	41.8	Very low	30.7	Very low	115 Å²	115	120.8 Å²	120.8	95%	0.95	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-14.2	-166.7	0	0	0	0	0	115.7
120	S	32.6	Very low	30.2	Very low	113 Å²	113	122.5 Å²	122.5	79%	0.79	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-3.3	-177.1	55.6	0	0	0	0	115.5	P118	P118-S120 PolarHBondContact O-N 2.85Å
121	A	31.4	Very low	30	Very low	37 Å²	37	128.3 Å²	128.3	31%	0.306	65%	0.647	S	S	.	*	S	Bend	trans	-96.9	124.9	-178.1	0	0	0	0	0	112.9	K117 P118	K117-A121 HydrophobicContact CD-CB 3.9Å; K117-A121 HydrophobicContact CG-CB 4.13Å; P118-A121 PolarHBondContact O-N 3.47Å
122	P	28.6	Very low	29.4	Very low	113 Å²	113	133.5 Å²	133.5	73%	0.734	67%	0.667	S	S	*	*			trans	-63.3	144.9	-174	22	-30.7	0	0	0	113.1	K117 K124	K117-P122 PolarHBondContact NZ-O 3.23Å; P122-K124 PolarHBondContact O-N 2.87Å; P122-K124 VanDerWaalsContact O-N 3.11Å
123	R	28.9	Very low	29.2	Very low	252 Å²	252	134.5 Å²	134.5	95%	0.951	68%	0.681	S	S	*	*			trans	-71.2	95	175	-72.8	-179.6	172.4	-173.9	-2.9	109.4	R125	R123-R125 PolarHBondContact O-N 2.87Å
124	K	26.7	Very low	28.9	Very low	190 Å²	190	137.4 Å²	137.4	83%	0.826	70%	0.695	S	S	*	*			trans	-78.5	111.4	164.7	-113.6	-176	178.1	-176.3	0	108.5	P122 I126	P122-K124 PolarHBondContact O-N 2.87Å; P122-K124 VanDerWaalsContact O-N 3.11Å; K124-I126 PolarHBondContact O-N 3.45Å
125	R	26.5	Very low	28.9	Very low	247 Å²	247	140.6 Å²	140.6	93%	0.932	70%	0.699	S	S	*	*			trans	-68.4	112.1	167.7	-121.3	178.2	173.6	179.1	-2.3	106.9	R123	R123-R125 PolarHBondContact O-N 2.87Å
126	I	27.4	Very low	28.6	Very low	89 Å²	89	148.6 Å²	148.6	46%	0.456	72%	0.718	S	S	.	*			trans	-99.5	116.3	175.3	-63.3	171.5	0	0	0	107.9	K124 E130	K124-I126 PolarHBondContact O-N 3.45Å; I126-E130 HydrophobicContact CG2-CB 3.61Å; I126-E130 HydrophobicContact CG2-CG 4.4Å; I126-E130 WeakPolarHBondContact CG2-OE2 3.44Å
127	P	27.1	Very low	28.2	Very low	80 Å²	80	144 Å²	144	52%	0.519	71%	0.712	S	S	.	*			trans	-62.7	147.3	177.3	-18.9	30.8	0	0	0	112.2	R129 E130	P127-R129 PolarHBondContact O-N 3.37Å; P127-E130 PolarHBondContact O-N 3.34Å
128	A	29.9	Very low	27.8	Very low	76 Å²	76	142.3 Å²	142.3	63%	0.628	73%	0.725	S	S	*	*	H	α-helix	trans	-53.7	-22.8	-178.1	0	0	0	0	0	115.1
129	R	26.3	Very low	27.5	Very low	231 Å²	231	145.8 Å²	145.8	87%	0.872	74%	0.735	S	S	*	*	H	α-helix	trans	-69.7	-30	176	-68.2	-174.2	-179.7	-143.6	0.9	113.3	P127	P127-R129 PolarHBondContact O-N 3.37Å
130	E	25.9	Very low	26.8	Very low	106 Å²	106	145.5 Å²	145.5	50%	0.495	72%	0.724	S	S	.	*	H	α-helix	trans	-74.3	-28.3	178.1	-72.2	-174.9	161.9	0	0	112.3	I126 P127 F132 S133	I126-E130 HydrophobicContact CG2-CB 3.61Å; I126-E130 HydrophobicContact CG2-CG 4.4Å; I126-E130 WeakPolarHBondContact CG2-OE2 3.44Å; P127-E130 PolarHBondContact O-N 3.34Å; E130-F132 PolarHBondContact O-N 2.72Å; E130-S133 PolarHBondContact O-N 2.92Å; E130-S133 VanDerWaalsContact O-N 3.08Å
131	W	25.6	Very low	26.8	Very low	194 Å²	194	143.6 Å²	143.6	74%	0.735	71%	0.714	S	S	*	*	H	α-helix	trans	-58.4	-31	176.6	-81.6	80.8	0	0	0	113.3
132	F	25.8	Very low	26.6	Very low	148 Å²	148	144 Å²	144	65%	0.649	71%	0.714	S	S	*	*	H	α-helix	trans	-80.9	-24.9	178.5	-77.6	-82.4	0	0	0	113.4	E130	E130-F132 PolarHBondContact O-N 2.72Å
133	S	24.4	Very low	26.6	Very low	108 Å²	108	147.2 Å²	147.2	76%	0.755	72%	0.724	S	S	*	*	H	α-helix	trans	-89.2	-19.2	-170	-151	0	0	0	0	114.1	E130 R135	E130-S133 PolarHBondContact O-N 2.92Å; E130-S133 VanDerWaalsContact O-N 3.08Å; S133-R135 PolarHBondContact O-N 3.01Å
134	Q	25.4	Very low	26.8	Very low	165 Å²	165	139.2 Å²	139.2	77%	0.771	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	13.5	-180	-120.9	160.1	4.7	0	0	114.1	R136	Q134-R136 VanDerWaalsContact C-N 3.27Å; Q134-R136 PolarHBondContact O-N 3.38Å; Q134-R136 VanDerWaalsContact O-N 3.09Å
135	R	25.7	Very low	27.4	Very low	212 Å²	212	131.2 Å²	131.2	80%	0.8	69%	0.691	S	S	*	*			trans	-75.8	18.8	-173.7	-98.5	-171.3	173.1	-135.9	-0.3	117	S133	S133-R135 PolarHBondContact O-N 3.01Å
136	R	25	Very low	28.3	Very low	254 Å²	254	121.6 Å²	121.6	96%	0.958	66%	0.662	S	S	*	*	S	Bend	trans	-127.9	76.4	172.9	-89.9	-169.8	-85.6	-130.3	-1.2	111.1	Q134	Q134-R136 VanDerWaalsContact C-N 3.27Å; Q134-R136 PolarHBondContact O-N 3.38Å; Q134-R136 VanDerWaalsContact O-N 3.09Å
137	G	23.9	Very low	29.3	Very low	59 Å²	59	120.7 Å²	120.7	61%	0.608	66%	0.661	S	S	*	*	S	Bend	trans	165	106.5	173.1	0	0	0	0	0	108.2	M139	G137-M139 PolarHBondContact O-N 3.19Å
138	A	26.1	Very low	30.4	Very low	106 Å²	106	118 Å²	118	88%	0.876	64%	0.642	S	S	*	*			trans	-59.7	105.3	174.8	0	0	0	0	0	108.5	P140	A138-P140 WeakPolarHBondContact O-CD 3.12Å
139	M	23.5	Very low	31.3	Very low	166 Å²	166	119.7 Å²	119.7	82%	0.818	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-66.6	124.4	167.5	-88.4	-78.9	-69.6	0	0	107.4	G137 A141	G137-M139 PolarHBondContact O-N 3.19Å; M139-A141 PolarHBondContact O-N 3.4Å
140	P	26.6	Very low	32.6	Very low	110 Å²	110	109.2 Å²	109.2	71%	0.714	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-63.1	131	171.4	22.9	-25.9	0	0	0	108.5	A138	A138-P140 WeakPolarHBondContact O-CD 3.12Å
141	A	31.4	Very low	33.6	Very low	72 Å²	72	109.5 Å²	109.5	60%	0.595	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-53.3	132.6	-179.3	0	0	0	0	0	110.1	M139 L143	M139-A141 PolarHBondContact O-N 3.4Å; A141-L143 PolarHBondContact O-N 2.67Å
142	P	28.7	Very low	35	Very low	45 Å²	45	100.7 Å²	100.7	29%	0.292	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-60	128.7	175.1	-16.9	28.6	0	0	0	109.4	P115 G144 G145	P115-P142 HydrophobicContact CG-CB 4.07Å; P142-G144 PolarHBondContact O-N 2.78Å; P142-G145 PolarHBondContact O-N 3.42Å
143	L	27.2	Very low	36	Very low	181 Å²	181	99.5 Å²	99.5	95%	0.948	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-43.8	105.5	176.1	-75.9	144.5	0	0	0	110.5	A141	A141-L143 PolarHBondContact O-N 2.67Å
144	G	33	Very low	37.3	Very low	84 Å²	84	97.4 Å²	97.4	87%	0.866	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.5	-1.2	170.8	0	0	0	0	0	117.6	P142	P142-G144 PolarHBondContact O-N 2.78Å
145	G	40.4	Very low	38.6	Very low	22 Å²	22	92.7 Å²	92.7	23%	0.227	53%	0.532	C	S	.	.			trans	-78.4	127.4	173.3	0	0	0	0	0	111.8	P142	P142-G145 PolarHBondContact O-N 3.42Å
146	S	45.5	Very low	39.9	Very low	45 Å²	45	89.1 Å²	89.1	32%	0.315	53%	0.529	S	S	.	.			trans	-83.2	143.8	173.4	51.8	0	0	0	0	110.6	V189	S146-V189 WeakPolarHBondContact OG-CB 3.12Å; S146-V189 WeakPolarHBondContact OG-CG1 3.25Å
147	V	48.3	Very low	41.1	Very low	71 Å²	71	81.7 Å²	81.7	43%	0.43	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.4	-170	-177.5	0	0	0	0	109.3	T110 L112	T110-V147 HydrophobicContact CG2-CG1 3.13Å; L112-V147 HydrophobicContact CD2-CG2 3.54Å
148	V	50.7	Low	42.5	Very low	23 Å²	23	86.3 Å²	86.3	14%	0.139	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.1	175.5	-175.4	0	0	0	0	109.5	V111 I150 A173 L174 V189	V111-V148 PolarHBondContact N-O 3.23Å; V111-V148 PolarHBondContact O-N 3.36Å; V148-I150 HydrophobicContact CG1-CD1 4.35Å; V148-I150 HydrophobicContact CG1-CG1 3.94Å; V148-A173 HydrophobicContact CG1-CB 4.37Å; V148-L174 HydrophobicContact CB-CD2 3.91Å; V148-L174 HydrophobicContact CG1-CD2 4.25Å; V148-L174 HydrophobicContact CG2-CD2 3.92Å; V148-V189 HydrophobicContact CG2-CG1 3.9Å; V148-V189 HydrophobicContact CG2-CG2 4.34Å
149	Q	47.1	Very low	43.2	Very low	112 Å²	112	83.5 Å²	83.5	52%	0.523	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.9	173.2	-70.8	-69.7	-34.9	0	0	108.9	T110	T110-Q149 PolarHBondContact OG1-NE2 3.06Å
150	I	54.1	Low	44.1	Very low	11 Å²	11	82.8 Å²	82.8	6%	0.056	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.4	-179.4	-56	177.9	0	0	0	109	M109 V111 V148 F166 E170 L174	M109-I150 PolarHBondContact N-O 3.44Å; M109-I150 PolarHBondContact O-N 3.25Å; V111-I150 HydrophobicContact CG2-CD1 4.03Å; V148-I150 HydrophobicContact CG1-CD1 4.35Å; V148-I150 HydrophobicContact CG1-CG1 3.94Å; I150-F166 HydrophobicContact CD1-CE1 3.77Å; I150-E170 HydrophobicContact CD1-CB 4.38Å; I150-E170 HydrophobicContact CG2-CB 4.1Å; I150-E170 HydrophobicContact CG2-CG 3.37Å; I150-L174 HydrophobicContact CD1-CD1 4.32Å; I150-L174 HydrophobicContact CD1-CD2 4.24Å; I150-L174 HydrophobicContact CD1-CG 4.17Å
151	E	47.4	Very low	45.1	Very low	112 Å²	112	80.1 Å²	80.1	52%	0.523	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	121.2	170.3	-69.2	-167.1	159.3	0	0	109.7	L106 R108	L106-E151 HydrophobicContact CD1-CB 4.35Å; R108-E151 HydrophobicContact CG-CG 4.1Å; R108-E151 IonicContact NE-OE1 3.69Å
152	A	54.3	Low	45.8	Very low	9 Å²	9	83 Å²	83	7%	0.074	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.5	-177.4	0	0	0	0	0	110.8	L106 L107 M109 F164	L106-A152 WeakPolarHBondContact CA-O 3.37Å; L107-A152 PolarHBondContact N-O 2.94Å; L107-A152 PolarHBondContact O-N 3.24Å; M109-A152 HydrophobicContact CB-CB 4.44Å; A152-F164 HydrophobicContact CB-CE2 4.07Å; A152-F164 HydrophobicContact CB-CZ 3.78Å
153	I	46.6	Very low	46.7	Very low	122 Å²	122	88 Å²	88	63%	0.626	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	112.6	170.1	-58.3	173.6	0	0	0	107.5	L106 V155	L106-I153 HydrophobicContact CD1-CG1 3.72Å; I153-V155 HydrophobicContact CG2-CG1 4.25Å; I153-V155 PolarHBondContact O-N 3.45Å
154	V	52.5	Low	48.1	Very low	64 Å²	64	83.2 Å²	83.2	39%	0.388	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	115.2	177.9	179.3	0	0	0	0	109.7	G104 R105 L107	G104-V154 VanDerWaalsContact CA-O 3.25Å; G104-V154 WeakPolarHBondContact CA-O 3.34Å; R105-V154 PolarHBondContact N-O 3.3Å; R105-V154 PolarHBondContact O-N 2.85Å; L107-V154 HydrophobicContact CB-CG2 4.2Å; L107-V154 HydrophobicContact CD1-CB 4.2Å; L107-V154 HydrophobicContact CD1-CG2 3.65Å; L107-V154 HydrophobicContact CG-CG2 4.34Å
155	V	53.1	Low	49	Very low	66 Å²	66	82.2 Å²	82.2	40%	0.4	44%	0.444	S	S	.	.			trans	-108.4	154.2	175.2	-68.5	0	0	0	0	110.6	I153 T157 P159	I153-V155 HydrophobicContact CG2-CG1 4.25Å; I153-V155 PolarHBondContact O-N 3.45Å; V155-T157 VanDerWaalsContact C-N 3.3Å; V155-T157 WeakPolarHBondContact CG2-O 3.15Å; V155-P159 HydrophobicContact CG2-CG 3.78Å
156	D	52.9	Low	49.7	Very low	138 Å²	138	84.4 Å²	84.4	74%	0.738	45%	0.447	S	S	*	.	S	Bend	trans	-80	-9.8	179.2	57.5	-10.5	0	0	0	113.6
157	T	49.6	Very low	49.9	Very low	97 Å²	97	83.8 Å²	83.8	60%	0.595	45%	0.448	S	S	*	.	S	Bend	trans	-124.4	147.7	177.7	60.9	0	0	0	0	112	V155 P159	V155-T157 VanDerWaalsContact C-N 3.3Å; V155-T157 WeakPolarHBondContact CG2-O 3.15Å; T157-P159 VanDerWaalsContact O-CD 3.26Å; T157-P159 WeakPolarHBondContact O-CD 3.19Å
158	R	53.9	Low	49.9	Very low	156 Å²	156	86.9 Å²	86.9	59%	0.589	46%	0.46	S	S	*	.			trans	-63.4	113.2	176.8	-70.8	179	-178.5	-158.9	-11	111.2	L160 G161 F162 E163	R158-L160 PolarHBondContact O-N 3.3Å; R158-G161 PolarHBondContact O-N 2.82Å; R158-F162 WeakPolarHBondContact CB-O 3.06Å; R158-E163 IonicContact CZ-OE1 2.73Å; R158-E163 IonicContact NH1-OE1 3.35Å; R158-E163 IonicContact NH2-OE1 2.68Å; R158-E163 PolarHBondContact NH2-OE1 3.43Å
159	P	39.7	Very low	50.1	Low	48 Å²	48	92.1 Å²	92.1	31%	0.312	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-67	124.3	176.4	0.3	11	0	0	0	109.6	V155 T157 G161 F162 P165	V155-P159 HydrophobicContact CG2-CG 3.78Å; T157-P159 VanDerWaalsContact O-CD 3.26Å; T157-P159 WeakPolarHBondContact O-CD 3.19Å; P159-G161 PolarHBondContact O-N 2.69Å; P159-F162 PolarHBondContact O-N 3.26Å; P159-P165 HydrophobicContact CB-CG 4.02Å; P159-P165 HydrophobicContact CG-CG 3.82Å
160	L	44.1	Very low	50.2	Low	150 Å²	150	89.2 Å²	89.2	79%	0.785	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	55.8	22.4	-179.3	-57.2	170.8	0	0	0	114.1	R158 F162	R158-L160 PolarHBondContact O-N 3.3Å; L160-F162 HydrophobicContact CB-CD2 3.88Å; L160-F162 HydrophobicContact CB-CE2 4.18Å; L160-F162 WeakPolarHBondContact O-CD2 3.19Å; L160-F162 PolarHBondContact O-N 3.05Å
161	G	45.6	Very low	50.2	Low	54 Å²	54	90.6 Å²	90.6	56%	0.557	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	79.1	-4.2	-176.7	0	0	0	0	0	115.1	R158 P159	R158-G161 PolarHBondContact O-N 2.82Å; P159-G161 PolarHBondContact O-N 2.69Å
162	F	47.1	Very low	50.6	Low	132 Å²	132	89.9 Å²	89.9	58%	0.579	48%	0.484	S	S	*	.			trans	-84.4	147.5	176.1	-62.1	-78.1	0	0	0	111.3	R158 P159 L160 F164	R158-F162 WeakPolarHBondContact CB-O 3.06Å; P159-F162 PolarHBondContact O-N 3.26Å; L160-F162 HydrophobicContact CB-CD2 3.88Å; L160-F162 HydrophobicContact CB-CE2 4.18Å; L160-F162 WeakPolarHBondContact O-CD2 3.19Å; L160-F162 PolarHBondContact O-N 3.05Å; F162-F164 VanDerWaalsContact C-N 3.35Å
163	E	48.4	Very low	50.6	Low	152 Å²	152	92 Å²	92	71%	0.71	50%	0.501	S	S	*	.	S	Bend	trans	-72.2	-31.2	176.1	-65.5	-170.5	163.2	0	0	111.9	R158	R158-E163 IonicContact CZ-OE1 2.73Å; R158-E163 IonicContact NH1-OE1 3.35Å; R158-E163 IonicContact NH2-OE1 2.68Å; R158-E163 PolarHBondContact NH2-OE1 3.43Å
164	F	56.6	Low	51.1	Low	79 Å²	79	86.7 Å²	86.7	35%	0.346	47%	0.474	S	S	.	.	S	Bend	trans	-157.1	95	179.5	-157.6	-93.5	0	0	0	110.9	M109 A152 F162 F166	M109-F164 HydrophobicContact CE-CD2 4.13Å; M109-F164 HydrophobicContact CE-CE1 3.93Å; M109-F164 HydrophobicContact CE-CE2 3.38Å; M109-F164 HydrophobicContact CE-CZ 3.26Å; M109-F164 HydrophobicContact SD-CE2 3.78Å; M109-F164 HydrophobicContact SD-CZ 4.08Å; A152-F164 HydrophobicContact CB-CE2 4.07Å; A152-F164 HydrophobicContact CB-CZ 3.78Å; F162-F164 VanDerWaalsContact C-N 3.35Å; F164-F166 HydrophobicContact CD1-CD2 4.1Å; F164-F166 HydrophobicContact CD1-CE1 4.31Å; F164-F166 AromaticContact CD1-CE2 3.68Å; F164-F166 HydrophobicContact CD1-CE2 3.68Å; F164-F166 AromaticContact CD1-CZ 3.8Å; F164-F166 HydrophobicContact CD1-CZ 3.8Å; F164-F166 HydrophobicContact CE1-CD1 4.49Å; F164-F166 HydrophobicContact CE1-CE1 4.01Å; F164-F166 HydrophobicContact CE1-CE2 4.21Å; F164-F166 AromaticContact CE1-CZ 3.86Å; F164-F166 HydrophobicContact CE1-CZ 3.86Å
165	P	51.2	Low	51.4	Low	64 Å²	64	85 Å²	85	42%	0.416	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-75	132.3	174.9	30.1	-32.9	0	0	0	110.6	P159	P159-P165 HydrophobicContact CB-CG 4.02Å; P159-P165 HydrophobicContact CG-CG 3.82Å
166	F	54.4	Low	51.6	Low	67 Å²	67	82.7 Å²	82.7	29%	0.294	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-94.1	134.3	171.8	-78.3	-88.1	0	0	0	110.1	I150 F164 E170 I171 L174 F187	I150-F166 HydrophobicContact CD1-CE1 3.77Å; F164-F166 HydrophobicContact CD1-CD2 4.1Å; F164-F166 HydrophobicContact CD1-CE1 4.31Å; F164-F166 AromaticContact CD1-CE2 3.68Å; F164-F166 HydrophobicContact CD1-CE2 3.68Å; F164-F166 AromaticContact CD1-CZ 3.8Å; F164-F166 HydrophobicContact CD1-CZ 3.8Å; F164-F166 HydrophobicContact CE1-CD1 4.49Å; F164-F166 HydrophobicContact CE1-CE1 4.01Å; F164-F166 HydrophobicContact CE1-CE2 4.21Å; F164-F166 AromaticContact CE1-CZ 3.86Å; F164-F166 HydrophobicContact CE1-CZ 3.86Å; F166-E170 HydrophobicContact CD1-CB 3.67Å; F166-E170 HydrophobicContact CE1-CB 4.4Å; F166-I171 HydrophobicContact CB-CG1 4.16Å; F166-L174 HydrophobicContact CD1-CD1 3.96Å; F166-L174 HydrophobicContact CE1-CD1 3.56Å; F166-L174 HydrophobicContact CZ-CD1 4.1Å; F166-F187 HydrophobicContact CD2-CZ 4.48Å
167	G	49.9	Very low	51.7	Low	32 Å²	32	79.3 Å²	79.3	33%	0.33	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-83.4	173.9	165.8	0	0	0	0	0	111.4	N169 E170 I171	G167-N169 VanDerWaalsContact C-N 3.29Å; G167-N169 PolarHBondContact O-N 2.95Å; G167-E170 WeakPolarHBondContact CA-OE2 3.19Å; G167-E170 PolarHBondContact N-OE2 3.15Å; G167-E170 PolarHBondContact O-N 3.31Å; G167-E170 VanDerWaalsContact O-OE2 3.09Å; G167-I171 WeakPolarHBondContact O-CG1 3.4Å; G167-I171 PolarHBondContact O-N 3.07Å
168	M	49.7	Very low	51.6	Low	137 Å²	137	77 Å²	77	68%	0.675	43%	0.434	S	S	*	.	H	α-helix	trans	-65.7	-33.7	-178.4	-165.3	61.1	65.7	0	0	112.1	E170 I171 V172	M168-E170 VanDerWaalsContact C-N 3.32Å; M168-E170 PolarHBondContact O-N 3.22Å; M168-I171 PolarHBondContact O-N 3.44Å; M168-I171 HydrophobicContact SD-CD1 4.43Å; M168-V172 WeakPolarHBondContact O-CB 3.34Å; M168-V172 VanDerWaalsContact O-CG2 3.23Å; M168-V172 WeakPolarHBondContact O-CG2 2.92Å; M168-V172 PolarHBondContact O-N 3.19Å
169	N	54.6	Low	51.4	Low	132 Å²	132	75.3 Å²	75.3	71%	0.706	44%	0.435	S	S	*	.	H	α-helix	trans	-65.4	-39.1	178.9	-67.4	-14.7	0	0	0	111.3	G167 V172 A173	G167-N169 VanDerWaalsContact C-N 3.29Å; G167-N169 PolarHBondContact O-N 2.95Å; N169-V172 PolarHBondContact O-N 3.04Å; N169-A173 WeakPolarHBondContact O-CB 3.48Å; N169-A173 PolarHBondContact O-N 3.19Å
170	E	48.3	Very low	51.8	Low	52 Å²	52	74.8 Å²	74.8	24%	0.243	43%	0.433	C	S	.	.	H	α-helix	trans	-73.6	-36.2	178.5	-59.3	76.1	-164.4	0	0	111.2	I150 F166 G167 M168 V172 A173 L174	I150-E170 HydrophobicContact CD1-CB 4.38Å; I150-E170 HydrophobicContact CG2-CB 4.1Å; I150-E170 HydrophobicContact CG2-CG 3.37Å; F166-E170 HydrophobicContact CD1-CB 3.67Å; F166-E170 HydrophobicContact CE1-CB 4.4Å; G167-E170 WeakPolarHBondContact CA-OE2 3.19Å; G167-E170 PolarHBondContact N-OE2 3.15Å; G167-E170 PolarHBondContact O-N 3.31Å; G167-E170 VanDerWaalsContact O-OE2 3.09Å; M168-E170 VanDerWaalsContact C-N 3.32Å; M168-E170 PolarHBondContact O-N 3.22Å; E170-V172 VanDerWaalsContact C-N 3.33Å; E170-A173 PolarHBondContact O-N 2.9Å; E170-L174 WeakPolarHBondContact O-CB 3.48Å; E170-L174 VanDerWaalsContact O-CG 3.27Å; E170-L174 WeakPolarHBondContact O-CG 3.34Å; E170-L174 PolarHBondContact O-N 3.42Å
171	I	53.5	Low	51.9	Low	39 Å²	39	76.5 Å²	76.5	20%	0.2	44%	0.436	C	S	.	.	H	α-helix	trans	-60.1	-44.6	170	-70	166	0	0	0	110.5	F166 G167 M168 L174 G175 G176 V177 F187	F166-I171 HydrophobicContact CB-CG1 4.16Å; G167-I171 WeakPolarHBondContact O-CG1 3.4Å; G167-I171 PolarHBondContact O-N 3.07Å; M168-I171 PolarHBondContact O-N 3.44Å; M168-I171 HydrophobicContact SD-CD1 4.43Å; I171-L174 CarbonylContact O-C 3.54Å; I171-L174 PolarHBondContact O-N 2.63Å; I171-G175 PolarHBondContact O-N 2.91Å; I171-G176 WeakPolarHBondContact O-CA 3.28Å; I171-G176 PolarHBondContact O-N 3.48Å; I171-V177 HydrophobicContact CG2-CG2 3.87Å; I171-F187 HydrophobicContact CG1-CE1 4.34Å
172	V	57.7	Low	51.5	Low	98 Å²	98	77.9 Å²	77.9	59%	0.594	44%	0.436	S	S	*	.	H	α-helix	trans	-65.4	-40.7	176.6	170.9	0	0	0	0	111.2	M168 N169 E170 L174 G175	M168-V172 WeakPolarHBondContact O-CB 3.34Å; M168-V172 VanDerWaalsContact O-CG2 3.23Å; M168-V172 WeakPolarHBondContact O-CG2 2.92Å; M168-V172 PolarHBondContact O-N 3.19Å; N169-V172 PolarHBondContact O-N 3.04Å; E170-V172 VanDerWaalsContact C-N 3.33Å; V172-L174 VanDerWaalsContact C-N 3.27Å; V172-L174 PolarHBondContact O-N 3.17Å; V172-G175 WeakPolarHBondContact O-CA 3.43Å; V172-G175 PolarHBondContact O-N 3.36Å
173	A	54.3	Low	51	Low	53 Å²	53	76.7 Å²	76.7	44%	0.438	44%	0.443	S	S	.	.	H	α-helix	trans	-65	-31	176.2	0	0	0	0	0	112.8	V148 N169 E170 G175	V148-A173 HydrophobicContact CG1-CB 4.37Å; N169-A173 WeakPolarHBondContact O-CB 3.48Å; N169-A173 PolarHBondContact O-N 3.19Å; E170-A173 PolarHBondContact O-N 2.9Å; A173-G175 PolarHBondContact O-N 3.49Å
174	L	55.7	Low	50.5	Low	10 Å²	10	76.8 Å²	76.8	5%	0.052	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	7.1	170.4	-68.4	170.7	0	0	0	113.1	V148 I150 F166 E170 I171 V172 G176 F187 R188 V189	V148-L174 HydrophobicContact CB-CD2 3.91Å; V148-L174 HydrophobicContact CG1-CD2 4.25Å; V148-L174 HydrophobicContact CG2-CD2 3.92Å; I150-L174 HydrophobicContact CD1-CD1 4.32Å; I150-L174 HydrophobicContact CD1-CD2 4.24Å; I150-L174 HydrophobicContact CD1-CG 4.17Å; F166-L174 HydrophobicContact CD1-CD1 3.96Å; F166-L174 HydrophobicContact CE1-CD1 3.56Å; F166-L174 HydrophobicContact CZ-CD1 4.1Å; E170-L174 WeakPolarHBondContact O-CB 3.48Å; E170-L174 VanDerWaalsContact O-CG 3.27Å; E170-L174 WeakPolarHBondContact O-CG 3.34Å; E170-L174 PolarHBondContact O-N 3.42Å; I171-L174 CarbonylContact O-C 3.54Å; I171-L174 PolarHBondContact O-N 2.63Å; V172-L174 VanDerWaalsContact C-N 3.27Å; V172-L174 PolarHBondContact O-N 3.17Å; L174-G176 VanDerWaalsContact C-N 3.31Å; L174-G176 PolarHBondContact O-N 2.95Å; L174-F187 HydrophobicContact CB-CB 4.07Å; L174-F187 HydrophobicContact CB-CD1 3.97Å; L174-F187 HydrophobicContact CB-CG 4.29Å; L174-F187 HydrophobicContact CD1-CB 4.45Å; L174-F187 HydrophobicContact CD1-CD1 3.66Å; L174-F187 HydrophobicContact CD1-CD2 4.46Å; L174-F187 HydrophobicContact CD1-CE1 3.93Å; L174-F187 HydrophobicContact CD1-CG 3.94Å; L174-F187 HydrophobicContact CD1-CZ 4.45Å; L174-F187 HydrophobicContact CG-CD1 4.46Å; L174-R188 CarbonylContact O-C 3.54Å; L174-R188 PolarHBondContact O-N 3.01Å; L174-R188 VanDerWaalsContact O-N 3.14Å; L174-V189 HydrophobicContact CD2-CG2 4.5Å; L174-V189 PolarHBondContact O-N 3.37Å
175	G	60.2	Low	50.1	Low	28 Å²	28	77.4 Å²	77.4	29%	0.289	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	15.4	179.7	0	0	0	0	0	115.5	I171 V172 A173 R188	I171-G175 PolarHBondContact O-N 2.91Å; V172-G175 WeakPolarHBondContact O-CA 3.43Å; V172-G175 PolarHBondContact O-N 3.36Å; A173-G175 PolarHBondContact O-N 3.49Å; G175-R188 CarbonylContact C-O 3.55Å; G175-R188 WeakPolarHBondContact CA-O 3.39Å; G175-R188 WeakPolarHBondContact O-CB 3.39Å
176	G	56.2	Low	50.2	Low	19 Å²	19	80.1 Å²	80.1	20%	0.196	45%	0.453	C	S	.	.			trans	98.8	178.8	176.9	0	0	0	0	0	113.7	I171 L174 F187 R188	I171-G176 WeakPolarHBondContact O-CA 3.28Å; I171-G176 PolarHBondContact O-N 3.48Å; L174-G176 VanDerWaalsContact C-N 3.31Å; L174-G176 PolarHBondContact O-N 2.95Å; G176-F187 CarbonylContact O-C 3.13Å; G176-F187 WeakPolarHBondContact O-CA 3.44Å; G176-R188 PolarHBondContact O-N 2.92Å
177	V	54.3	Low	50.2	Low	67 Å²	67	80.6 Å²	80.6	41%	0.406	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.6	-178.8	171.6	0	0	0	0	109.6	I171 V185 K186 F187	I171-V177 HydrophobicContact CG2-CG2 3.87Å; V177-V185 HydrophobicContact CG1-CG1 3.35Å; V177-K186 CarbonylContact C-O 3.55Å; V177-K186 WeakPolarHBondContact CA-O 2.91Å; V177-F187 HydrophobicContact CG2-CD1 3.56Å; V177-F187 HydrophobicContact CG2-CE1 3.34Å; V177-F187 HydrophobicContact CG2-CZ 4.22Å
178	A	47.9	Very low	50.2	Low	48 Å²	48	88 Å²	88	40%	0.397	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.2	170.8	0	0	0	0	0	110	K186	A178-K186 PolarHBondContact N-O 3.47Å; A178-K186 PolarHBondContact O-N 3.49Å
179	I	50.5	Low	50.3	Low	121 Å²	121	83.3 Å²	83.3	62%	0.621	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.5	175.6	-55.6	175.4	0	0	0	107.2	R184	I179-R184 CarbonylContact C-O 3.54Å; I179-R184 WeakPolarHBondContact CA-O 3.12Å
180	S	48.9	Very low	49.4	Very low	36 Å²	36	85 Å²	85	25%	0.252	46%	0.455	S	S	.	.			trans	-71.6	163.4	176.5	79	0	0	0	0	111.5	C182 C183 R184	S180-C182 PolarHBondContact O-N 2.98Å; S180-C182 PolarHBondContact OG-N 3.43Å; S180-C183 WeakPolarHBondContact O-CA 3.33Å; S180-C183 PolarHBondContact O-N 2.89Å; S180-R184 PolarHBondContact N-O 3.35Å; S180-R184 WeakPolarHBondContact OG-CB 3.25Å; S180-R184 PolarHBondContact OG-N 3.36Å
181	H	45.1	Very low	48.6	Very low	187 Å²	187	87.1 Å²	87.1	87%	0.866	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-17.8	172.9	62.2	-89.9	0	0	0	113.7	C183	H181-C183 VanDerWaalsContact C-N 3.29Å
182	C	38.2	Very low	47.3	Very low	82 Å²	82	93.5 Å²	93.5	55%	0.554	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	15.2	171.4	-48.3	0	0	0	0	113.4	S180 R184	S180-C182 PolarHBondContact O-N 2.98Å; S180-C182 PolarHBondContact OG-N 3.43Å; C182-R184 PolarHBondContact O-N 3.26Å
183	C	35.3	Very low	46.1	Very low	108 Å²	108	96.8 Å²	96.8	73%	0.73	52%	0.518	S	S	*	.	S	Bend	trans	57	29.1	-173.4	-60.2	0	0	0	0	114.3	S180 H181	S180-C183 WeakPolarHBondContact O-CA 3.33Å; S180-C183 PolarHBondContact O-N 2.89Å; H181-C183 VanDerWaalsContact C-N 3.29Å
184	R	38.9	Very low	44.6	Very low	154 Å²	154	98.1 Å²	98.1	58%	0.581	53%	0.528	S	S	*	.			trans	-91.6	130.1	172.6	-70.1	-172.4	176.7	-177.8	1.7	110.6	E116 I179 S180 C182	E116-R184 IonicContact OE1-NH1 2.73Å; I179-R184 CarbonylContact C-O 3.54Å; I179-R184 WeakPolarHBondContact CA-O 3.12Å; S180-R184 PolarHBondContact N-O 3.35Å; S180-R184 WeakPolarHBondContact OG-CB 3.25Å; S180-R184 PolarHBondContact OG-N 3.36Å; C182-R184 PolarHBondContact O-N 3.26Å
185	V	47.7	Very low	43.2	Very low	91 Å²	91	102.4 Å²	102.4	55%	0.552	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.9	122.9	178.4	-173.2	0	0	0	0	109.2	V177	V177-V185 HydrophobicContact CG1-CG1 3.35Å
186	K	53.3	Low	41.6	Very low	122 Å²	122	107.9 Å²	107.9	53%	0.53	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.1	144.3	176	-65.2	-171.7	177	-170.2	0	109.9	V177 A178	V177-K186 CarbonylContact C-O 3.55Å; V177-K186 WeakPolarHBondContact CA-O 2.91Å; A178-K186 PolarHBondContact N-O 3.47Å; A178-K186 PolarHBondContact O-N 3.49Å
187	F	55.2	Low	40.6	Very low	77 Å²	77	112.5 Å²	112.5	34%	0.338	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.9	140.2	171.7	-67.1	-81.1	0	0	0	109.8	F166 I171 L174 G176 V177 V189	F166-F187 HydrophobicContact CD2-CZ 4.48Å; I171-F187 HydrophobicContact CG1-CE1 4.34Å; L174-F187 HydrophobicContact CB-CB 4.07Å; L174-F187 HydrophobicContact CB-CD1 3.97Å; L174-F187 HydrophobicContact CB-CG 4.29Å; L174-F187 HydrophobicContact CD1-CB 4.45Å; L174-F187 HydrophobicContact CD1-CD1 3.66Å; L174-F187 HydrophobicContact CD1-CD2 4.46Å; L174-F187 HydrophobicContact CD1-CE1 3.93Å; L174-F187 HydrophobicContact CD1-CG 3.94Å; L174-F187 HydrophobicContact CD1-CZ 4.45Å; L174-F187 HydrophobicContact CG-CD1 4.46Å; G176-F187 CarbonylContact O-C 3.13Å; G176-F187 WeakPolarHBondContact O-CA 3.44Å; V177-F187 HydrophobicContact CG2-CD1 3.56Å; V177-F187 HydrophobicContact CG2-CE1 3.34Å; V177-F187 HydrophobicContact CG2-CZ 4.22Å; F187-V189 PolarHBondContact O-N 2.95Å
188	R	49.4	Very low	39.6	Very low	186 Å²	186	112.6 Å²	112.6	70%	0.702	62%	0.618	S	S	*	*			trans	-99.1	70.8	-168.6	-170.3	-176.3	-169.7	169.1	3.2	110.5	L174 G175 G176 Q190	L174-R188 CarbonylContact O-C 3.54Å; L174-R188 PolarHBondContact O-N 3.01Å; L174-R188 VanDerWaalsContact O-N 3.14Å; G175-R188 CarbonylContact C-O 3.55Å; G175-R188 WeakPolarHBondContact CA-O 3.39Å; G175-R188 WeakPolarHBondContact O-CB 3.39Å; G176-R188 PolarHBondContact O-N 2.92Å; R188-Q190 PolarHBondContact O-N 3.29Å
189	V	50.4	Low	39	Very low	40 Å²	40	116.8 Å²	116.8	24%	0.242	63%	0.634	C	S	.	*			trans	-65.8	131	179.2	-168.9	0	0	0	0	109.4	S146 V148 L174 F187 S191	S146-V189 WeakPolarHBondContact OG-CB 3.12Å; S146-V189 WeakPolarHBondContact OG-CG1 3.25Å; V148-V189 HydrophobicContact CG2-CG1 3.9Å; V148-V189 HydrophobicContact CG2-CG2 4.34Å; L174-V189 HydrophobicContact CD2-CG2 4.5Å; L174-V189 PolarHBondContact O-N 3.37Å; F187-V189 PolarHBondContact O-N 2.95Å; V189-S191 PolarHBondContact O-N 2.94Å
190	Q	37.4	Very low	38.7	Very low	166 Å²	166	116.8 Å²	116.8	78%	0.776	64%	0.635	S	S	*	*			trans	-57.3	93.3	-168.1	-67.1	177.9	-26.5	0	0	112.7	R188	R188-Q190 PolarHBondContact O-N 3.29Å
191	S	31.2	Very low	38.6	Very low	98 Å²	98	119.7 Å²	119.7	69%	0.685	65%	0.648	S	S	*	*			trans	-81.2	105.7	143.2	-178.4	0	0	0	0	106.1	V189 I193	V189-S191 PolarHBondContact O-N 2.94Å; S191-I193 PolarHBondContact O-N 3.49Å
192	E	26.3	Very low	39.5	Very low	172 Å²	172	115 Å²	115	80%	0.804	63%	0.628	S	S	*	*	S	Bend	trans	-49.2	125.5	157.7	-87.2	177	147.3	0	0	108.8
193	I	31.6	Very low	40.9	Very low	168 Å²	168	116.7 Å²	116.7	86%	0.862	63%	0.626	S	S	*	*	S	Bend	trans	62.6	73.4	159.6	-41.6	167.9	0	0	0	115.5	S191	S191-I193 PolarHBondContact O-N 3.49Å
194	A	24	Very low	42.6	Very low	80 Å²	80	115.5 Å²	115.5	66%	0.661	61%	0.612	S	S	*	*			trans	-161.1	116.1	150.4	0	0	0	0	0	107.5
195	C	25.1	Very low	44.4	Very low	100 Å²	100	113 Å²	113	68%	0.676	61%	0.606	S	S	*	*			cis	-142.3	164.8	6.4	-68.1	0	0	0	0	106.4	V197	C195-V197 PolarHBondContact O-N 3.38Å
196	T	27.7	Very low	45.5	Very low	144 Å²	144	113.4 Å²	113.4	88%	0.883	60%	0.602	S	S	*	*			trans	-46.3	89	150.3	48.1	0	0	0	0	108.9	A198	T196-A198 PolarHBondContact O-N 2.84Å
197	V	33.9	Very low	46.2	Very low	116 Å²	116	112.8 Å²	112.8	70%	0.703	61%	0.611	S	S	*	*			trans	-77.3	119.8	165	-174.8	0	0	0	0	103.2	C195	C195-V197 PolarHBondContact O-N 3.38Å
198	A	33.1	Very low	46.5	Very low	69 Å²	69	113.6 Å²	113.6	57%	0.57	62%	0.619	S	S	*	*			trans	-42.3	150.7	-179.9	0	0	0	0	0	111.1	T196 D200	T196-A198 PolarHBondContact O-N 2.84Å; A198-D200 PolarHBondContact O-N 2.93Å
199	D	36.4	Very low	47.3	Very low	135 Å²	135	106.4 Å²	106.4	72%	0.722	59%	0.594	S	S	*	*			trans	-50.8	82.4	161.4	-88.3	-44.8	0	0	0	109	D201	D199-D201 VanDerWaalsContact C-N 3.28Å; D199-D201 PolarHBondContact O-N 3.38Å; D199-D201 VanDerWaalsContact O-N 3.09Å
200	D	43	Very low	48.4	Very low	122 Å²	122	105.3 Å²	105.3	65%	0.652	59%	0.587	S	S	*	*			trans	-81.8	89.6	169.8	-74.1	-27.5	0	0	0	104.9	A198 I202	A198-D200 PolarHBondContact O-N 2.93Å; D200-I202 PolarHBondContact O-N 3.08Å
201	D	48.3	Very low	49.9	Very low	96 Å²	96	98.4 Å²	98.4	51%	0.513	56%	0.556	S	S	.	*			trans	-38.1	123.7	168.4	-73.3	-40.8	0	0	0	109.5	D199 K203	D199-D201 VanDerWaalsContact C-N 3.28Å; D199-D201 PolarHBondContact O-N 3.38Å; D199-D201 VanDerWaalsContact O-N 3.09Å; D201-K203 PolarHBondContact O-N 3.29Å
202	I	63.4	Low	51.8	Low	88 Å²	88	94.7 Å²	94.7	45%	0.451	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	103.4	178.1	-60.3	171.4	0	0	0	107.1	D200 A212 F213 W220	D200-I202 PolarHBondContact O-N 3.08Å; I202-A212 CarbonylContact O-C 3.58Å; I202-A212 VanDerWaalsContact O-CA 3.31Å; I202-A212 WeakPolarHBondContact O-CA 3.43Å; I202-F213 HydrophobicContact CB-CB 4.13Å; I202-F213 HydrophobicContact CD1-CD1 4.21Å; I202-F213 PolarHBondContact O-N 2.95Å; I202-W220 HydrophobicContact CG2-CH2 4.28Å
203	K	68.2	Low	53.6	Low	119 Å²	119	88.4 Å²	88.4	52%	0.517	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.4	-173.5	-169.3	179.3	179.8	-159.9	0	111	D201 E205 T210 V211 A212	D201-K203 PolarHBondContact O-N 3.29Å; K203-E205 HydrophobicContact CD-CG 4.29Å; K203-E205 WeakPolarHBondContact CE-OE1 3.34Å; K203-E205 HydrophobicContact CG-CG 4.3Å; K203-E205 IonicContact NZ-OE1 2.83Å; K203-E205 PolarHBondContact NZ-OE1 3.28Å; K203-T210 HydrophobicContact CD-CG2 4.37Å; K203-T210 HydrophobicContact CG-CG2 4.17Å; K203-V211 CarbonylContact C-O 3.57Å; K203-V211 VanDerWaalsContact CA-O 3.31Å; K203-V211 WeakPolarHBondContact CA-O 3.44Å; K203-A212 HydrophobicContact CB-CB 4.43Å; K203-A212 HydrophobicContact CG-CB 4.16Å
204	I	70.8	Confident	55.2	Low	82 Å²	82	82 Å²	82	42%	0.421	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	117.2	172	-56.1	174.7	0	0	0	107.2	E206 T210 V211	I204-E206 HydrophobicContact CG2-CG 4.18Å; I204-T210 CarbonylContact O-C 3.46Å; I204-T210 WeakPolarHBondContact O-CA 3.16Å; I204-V211 HydrophobicContact CB-CB 4.26Å; I204-V211 PolarHBondContact N-O 3.05Å; I204-V211 PolarHBondContact O-N 3.48Å
205	E	76	Confident	57	Low	101 Å²	101	82.7 Å²	82.7	47%	0.472	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	102.2	178.3	-85	-91.5	159.7	0	0	109.3	K203 T210 K225	K203-E205 HydrophobicContact CD-CG 4.29Å; K203-E205 WeakPolarHBondContact CE-OE1 3.34Å; K203-E205 HydrophobicContact CG-CG 4.3Å; K203-E205 IonicContact NZ-OE1 2.83Å; K203-E205 PolarHBondContact NZ-OE1 3.28Å; E205-T210 HydrophobicContact CG-CG2 4.18Å; E205-T210 VanDerWaalsContact OE1-CG2 3.25Å; E205-T210 WeakPolarHBondContact OE1-CG2 3.27Å; E205-T210 PolarHBondContact OE1-OG1 3.35Å; E205-K225 WeakPolarHBondContact OE2-CE 3.24Å; E205-K225 IonicContact OE2-NZ 2.65Å; E205-K225 PolarHBondContact OE2-NZ 2.99Å
206	E	70.5	Confident	59.2	Low	100 Å²	100	84.3 Å²	84.3	47%	0.467	47%	0.471	S	S	.	.			trans	-100.2	165	171.8	-67.7	-64.6	159.6	0	0	110.5	I204 D208 L209 K225	I204-E206 HydrophobicContact CG2-CG 4.18Å; E206-D208 PolarHBondContact O-N 3.4Å; E206-L209 CarbonylContact C-O 3.49Å; E206-L209 VanDerWaalsContact CA-O 3.31Å; E206-L209 WeakPolarHBondContact CA-O 3.41Å; E206-L209 HydrophobicContact CB-CB 4.27Å; E206-L209 WeakPolarHBondContact CB-O 3.32Å; E206-L209 PolarHBondContact N-O 3.11Å; E206-K225 WeakPolarHBondContact O-CE 3.48Å; E206-K225 PolarHBondContact O-NZ 2.88Å
207	P	68.3	Low	61.4	Low	109 Å²	109	80.3 Å²	80.3	71%	0.708	45%	0.452	S	S	*	.	S	Bend	trans	-60.1	-30.7	-177.7	-24.1	34.2	0	0	0	114.4	K225	P207-K225 WeakPolarHBondContact O-CD 2.95Å
208	D	62.4	Low	62.7	Low	95 Å²	95	85 Å²	85	51%	0.508	46%	0.457	S	S	.	.	S	Bend	trans	-117.6	-7.1	-173	55.4	-19.8	0	0	0	113.1	E206 W224 K225	E206-D208 PolarHBondContact O-N 3.4Å; D208-W224 CarbonylContact O-C 3.57Å; D208-W224 WeakPolarHBondContact O-CA 3.37Å; D208-K225 PolarHBondContact O-N 3.2Å
209	L	66	Low	63.8	Low	34 Å²	34	84.9 Å²	84.9	18%	0.178	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	140.5	-173.7	175.8	69.1	0	0	0	111	E206 V211 R223 W224	E206-L209 CarbonylContact C-O 3.49Å; E206-L209 VanDerWaalsContact CA-O 3.31Å; E206-L209 WeakPolarHBondContact CA-O 3.41Å; E206-L209 HydrophobicContact CB-CB 4.27Å; E206-L209 WeakPolarHBondContact CB-O 3.32Å; E206-L209 PolarHBondContact N-O 3.11Å; L209-V211 HydrophobicContact CD1-CG2 4.13Å; L209-V211 HydrophobicContact CD2-CG2 3.69Å; L209-V211 HydrophobicContact CG-CG2 3.73Å; L209-R223 CarbonylContact C-O 3.59Å; L209-W224 HydrophobicContact CB-CE3 4.02Å; L209-W224 HydrophobicContact CB-CZ3 4.05Å; L209-W224 HydrophobicContact CD1-CD2 3.72Å; L209-W224 HydrophobicContact CD1-CE3 3.89Å; L209-W224 HydrophobicContact CD1-CG 4.23Å; L209-W224 HydrophobicContact CD1-CH2 4.2Å; L209-W224 HydrophobicContact CD1-CZ2 4.04Å; L209-W224 HydrophobicContact CD1-CZ3 4.13Å; L209-W224 HydrophobicContact CD2-CH2 4.23Å; L209-W224 HydrophobicContact CD2-CZ3 4.35Å; L209-W224 HydrophobicContact CG-CE3 4.45Å; L209-W224 HydrophobicContact CG-CZ3 4.4Å
210	T	72.1	Confident	65.1	Low	17 Å²	17	85.3 Å²	85.3	10%	0.104	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.4	166.2	-60.1	0	0	0	0	108.4	K203 I204 E205 T222 R223 K225	K203-T210 HydrophobicContact CD-CG2 4.37Å; K203-T210 HydrophobicContact CG-CG2 4.17Å; I204-T210 CarbonylContact O-C 3.46Å; I204-T210 WeakPolarHBondContact O-CA 3.16Å; E205-T210 HydrophobicContact CG-CG2 4.18Å; E205-T210 VanDerWaalsContact OE1-CG2 3.25Å; E205-T210 WeakPolarHBondContact OE1-CG2 3.27Å; E205-T210 PolarHBondContact OE1-OG1 3.35Å; T210-T222 CarbonylContact O-C 3.56Å; T210-T222 WeakPolarHBondContact O-CA 3.43Å; T210-R223 PolarHBondContact N-O 3.29Å; T210-R223 PolarHBondContact O-N 3.37Å; T210-K225 WeakPolarHBondContact OG1-CE 3.45Å
211	V	69.8	Low	66	Low	21 Å²	21	83.2 Å²	83.2	13%	0.127	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124	177.4	-170.4	0	0	0	0	108.2	K203 I204 L209 W220 T221 T222	K203-V211 CarbonylContact C-O 3.57Å; K203-V211 VanDerWaalsContact CA-O 3.31Å; K203-V211 WeakPolarHBondContact CA-O 3.44Å; I204-V211 HydrophobicContact CB-CB 4.26Å; I204-V211 PolarHBondContact N-O 3.05Å; I204-V211 PolarHBondContact O-N 3.48Å; L209-V211 HydrophobicContact CD1-CG2 4.13Å; L209-V211 HydrophobicContact CD2-CG2 3.69Å; L209-V211 HydrophobicContact CG-CG2 3.73Å; V211-W220 HydrophobicContact CG1-CD2 4.44Å; V211-W220 HydrophobicContact CG1-CE3 3.41Å; V211-W220 VanDerWaalsContact CG1-CE3 3.41Å; V211-W220 HydrophobicContact CG1-CZ3 3.81Å; V211-T221 CarbonylContact C-O 3.44Å; V211-T221 WeakPolarHBondContact CA-O 3.31Å; V211-T222 HydrophobicContact CB-CG2 4.42Å; V211-T222 HydrophobicContact CG1-CG2 3.85Å; V211-T222 HydrophobicContact CG2-CG2 4.07Å
212	A	71.5	Confident	66.6	Low	20 Å²	20	81.6 Å²	81.6	17%	0.165	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.8	176.9	0	0	0	0	0	110.7	I202 K203 T221	I202-A212 CarbonylContact O-C 3.58Å; I202-A212 VanDerWaalsContact O-CA 3.31Å; I202-A212 WeakPolarHBondContact O-CA 3.43Å; K203-A212 HydrophobicContact CB-CB 4.43Å; K203-A212 HydrophobicContact CG-CB 4.16Å; A212-T221 PolarHBondContact N-O 3.47Å; A212-T221 PolarHBondContact O-N 2.87Å; A212-T221 PolarHBondContact O-OG1 3.11Å
213	F	64.1	Low	66.9	Low	40 Å²	40	86.7 Å²	86.7	18%	0.175	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116.1	173.2	-174.8	-113.5	0	0	0	109.8	I202 L215 W220	I202-F213 HydrophobicContact CB-CB 4.13Å; I202-F213 HydrophobicContact CD1-CD1 4.21Å; I202-F213 PolarHBondContact O-N 2.95Å; F213-L215 HydrophobicContact CD1-CD2 4.13Å; F213-L215 HydrophobicContact CD1-CG 4.36Å; F213-L215 HydrophobicContact CE1-CD2 3.79Å; F213-L215 HydrophobicContact CE1-CG 4.41Å; F213-L215 PolarHBondContact O-N 2.95Å; F213-W220 HydrophobicContact CB-CD2 3.85Å; F213-W220 HydrophobicContact CB-CE3 3.62Å; F213-W220 HydrophobicContact CB-CH2 3.85Å; F213-W220 HydrophobicContact CB-CZ2 4.02Å; F213-W220 HydrophobicContact CB-CZ3 3.65Å; F213-W220 AromaticContact CD2-CD1 3.56Å; F213-W220 AromaticContact CD2-CD2 3.56Å; F213-W220 HydrophobicContact CD2-CD2 3.56Å; F213-W220 AromaticContact CD2-CE2 3.42Å; F213-W220 VanDerWaalsContact CD2-CE2 3.42Å; F213-W220 HydrophobicContact CD2-CE3 4.24Å; F213-W220 AromaticContact CD2-CG 3.68Å; F213-W220 HydrophobicContact CD2-CG 3.68Å; F213-W220 HydrophobicContact CD2-CZ2 4.03Å; F213-W220 AromaticContact CD2-NE1 3.39Å; F213-W220 AromaticContact CE2-CD1 3.84Å; F213-W220 HydrophobicContact CE2-CG 4.38Å; F213-W220 AromaticContact CE2-NE1 3.63Å; F213-W220 HydrophobicContact CG-CD2 4.1Å; F213-W220 AromaticContact CG-CE2 3.92Å; F213-W220 HydrophobicContact CG-CE3 4.37Å; F213-W220 HydrophobicContact CG-CH2 4.41Å; F213-W220 HydrophobicContact CG-CZ2 4.09Å
214	S	65.1	Low	66.8	Low	33 Å²	33	86.7 Å²	86.7	23%	0.231	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	114.9	171.2	178.3	0	0	0	0	109	T216 A217 R218 T219	S214-T216 PolarHBondContact O-N 3.12Å; S214-A217 PolarHBondContact OG-N 3.45Å; S214-R218 VanDerWaalsContact O-CA 3.24Å; S214-R218 WeakPolarHBondContact O-CA 3.29Å; S214-R218 PolarHBondContact O-N 2.94Å; S214-T219 PolarHBondContact N-O 3.32Å; S214-T219 PolarHBondContact O-N 2.83Å
215	L	62.4	Low	66.7	Low	96 Å²	96	87 Å²	87	50%	0.503	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-35.5	174.3	-75.2	164.9	0	0	0	111.5	F213	F213-L215 HydrophobicContact CD1-CD2 4.13Å; F213-L215 HydrophobicContact CD1-CG 4.36Å; F213-L215 HydrophobicContact CE1-CD2 3.79Å; F213-L215 HydrophobicContact CE1-CG 4.41Å; F213-L215 PolarHBondContact O-N 2.95Å
216	T	71.2	Confident	66.3	Low	134 Å²	134	88 Å²	88	82%	0.822	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-45	-179.1	-46.9	0	0	0	0	112.4	S214	S214-T216 PolarHBondContact O-N 3.12Å
217	A	73.4	Confident	65.7	Low	59 Å²	59	92.5 Å²	92.5	49%	0.488	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-14.4	177.5	0	0	0	0	0	113.1	S214 T219	S214-A217 PolarHBondContact OG-N 3.45Å; A217-T219 HydrophobicContact CB-CG2 4.33Å; A217-T219 WeakPolarHBondContact CB-OG1 3.28Å; A217-T219 PolarHBondContact O-N 3.32Å
218	R	60.8	Low	65.3	Low	214 Å²	214	95 Å²	95	81%	0.808	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	33.3	-166.9	-63.9	-167	177.6	-164.7	1.8	113.5	S214	S214-R218 VanDerWaalsContact O-CA 3.24Å; S214-R218 WeakPolarHBondContact O-CA 3.29Å; S214-R218 PolarHBondContact O-N 2.94Å
219	T	56.6	Low	65.1	Low	68 Å²	68	93.7 Å²	93.7	42%	0.417	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.8	-179.9	55.3	0	0	0	0	111.1	S214 A217	S214-T219 PolarHBondContact N-O 3.32Å; S214-T219 PolarHBondContact O-N 2.83Å; A217-T219 HydrophobicContact CB-CG2 4.33Å; A217-T219 WeakPolarHBondContact CB-OG1 3.28Å; A217-T219 PolarHBondContact O-N 3.32Å
220	W	63.2	Low	64.8	Low	144 Å²	144	97.4 Å²	97.4	55%	0.545	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130	164.2	-71.3	95.2	0	0	0	109.5	I202 V211 F213	I202-W220 HydrophobicContact CG2-CH2 4.28Å; V211-W220 HydrophobicContact CG1-CD2 4.44Å; V211-W220 HydrophobicContact CG1-CE3 3.41Å; V211-W220 VanDerWaalsContact CG1-CE3 3.41Å; V211-W220 HydrophobicContact CG1-CZ3 3.81Å; F213-W220 HydrophobicContact CB-CD2 3.85Å; F213-W220 HydrophobicContact CB-CE3 3.62Å; F213-W220 HydrophobicContact CB-CH2 3.85Å; F213-W220 HydrophobicContact CB-CZ2 4.02Å; F213-W220 HydrophobicContact CB-CZ3 3.65Å; F213-W220 AromaticContact CD2-CD1 3.56Å; F213-W220 AromaticContact CD2-CD2 3.56Å; F213-W220 HydrophobicContact CD2-CD2 3.56Å; F213-W220 AromaticContact CD2-CE2 3.42Å; F213-W220 VanDerWaalsContact CD2-CE2 3.42Å; F213-W220 HydrophobicContact CD2-CE3 4.24Å; F213-W220 AromaticContact CD2-CG 3.68Å; F213-W220 HydrophobicContact CD2-CG 3.68Å; F213-W220 HydrophobicContact CD2-CZ2 4.03Å; F213-W220 AromaticContact CD2-NE1 3.39Å; F213-W220 AromaticContact CE2-CD1 3.84Å; F213-W220 HydrophobicContact CE2-CG 4.38Å; F213-W220 AromaticContact CE2-NE1 3.63Å; F213-W220 HydrophobicContact CG-CD2 4.1Å; F213-W220 AromaticContact CG-CE2 3.92Å; F213-W220 HydrophobicContact CG-CE3 4.37Å; F213-W220 HydrophobicContact CG-CH2 4.41Å; F213-W220 HydrophobicContact CG-CZ2 4.09Å
221	T	62.8	Low	64.2	Low	78 Å²	78	98.2 Å²	98.2	48%	0.479	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.8	173.7	53.5	0	0	0	0	109	V211 A212	V211-T221 CarbonylContact C-O 3.44Å; V211-T221 WeakPolarHBondContact CA-O 3.31Å; A212-T221 PolarHBondContact N-O 3.47Å; A212-T221 PolarHBondContact O-N 2.87Å; A212-T221 PolarHBondContact O-OG1 3.11Å
222	T	61.1	Low	63.5	Low	61 Å²	61	100.6 Å²	100.6	37%	0.374	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.4	179.8	51.9	0	0	0	0	110.1	T210 V211	T210-T222 CarbonylContact O-C 3.56Å; T210-T222 WeakPolarHBondContact O-CA 3.43Å; V211-T222 HydrophobicContact CB-CG2 4.42Å; V211-T222 HydrophobicContact CG1-CG2 3.85Å; V211-T222 HydrophobicContact CG2-CG2 4.07Å
223	R	68.9	Low	62.5	Low	196 Å²	196	109.3 Å²	109.3	74%	0.74	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-131.3	121.8	176.1	-179.9	180	-83.7	-160.8	-3.6	110	L209 T210	L209-R223 CarbonylContact C-O 3.59Å; T210-R223 PolarHBondContact N-O 3.29Å; T210-R223 PolarHBondContact O-N 3.37Å
224	W	66.3	Low	61.9	Low	118 Å²	118	111.7 Å²	111.7	45%	0.447	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.1	133.5	175.9	-63.2	93.8	0	0	0	111.2	D208 L209 W226	D208-W224 CarbonylContact O-C 3.57Å; D208-W224 WeakPolarHBondContact O-CA 3.37Å; L209-W224 HydrophobicContact CB-CE3 4.02Å; L209-W224 HydrophobicContact CB-CZ3 4.05Å; L209-W224 HydrophobicContact CD1-CD2 3.72Å; L209-W224 HydrophobicContact CD1-CE3 3.89Å; L209-W224 HydrophobicContact CD1-CG 4.23Å; L209-W224 HydrophobicContact CD1-CH2 4.2Å; L209-W224 HydrophobicContact CD1-CZ2 4.04Å; L209-W224 HydrophobicContact CD1-CZ3 4.13Å; L209-W224 HydrophobicContact CD2-CH2 4.23Å; L209-W224 HydrophobicContact CD2-CZ3 4.35Å; L209-W224 HydrophobicContact CG-CE3 4.45Å; L209-W224 HydrophobicContact CG-CZ3 4.4Å; W224-W226 HydrophobicContact CB-CD2 4.25Å; W224-W226 HydrophobicContact CB-CZ2 3.77Å; W224-W226 HydrophobicContact CD2-CZ2 4.48Å; W224-W226 AromaticContact CG-CZ2 3.96Å; W224-W226 HydrophobicContact CG-CZ2 3.96Å; W224-W226 PolarHBondContact O-N 2.99Å
225	K	69.3	Low	61.3	Low	88 Å²	88	113.9 Å²	113.9	38%	0.383	58%	0.584	S	S	.	*			trans	-87	70.8	178.2	-64	175.1	-179.6	170.9	0	110.2	E205 E206 P207 D208 T210	E205-K225 WeakPolarHBondContact OE2-CE 3.24Å; E205-K225 IonicContact OE2-NZ 2.65Å; E205-K225 PolarHBondContact OE2-NZ 2.99Å; E206-K225 WeakPolarHBondContact O-CE 3.48Å; E206-K225 PolarHBondContact O-NZ 2.88Å; P207-K225 WeakPolarHBondContact O-CD 2.95Å; D208-K225 PolarHBondContact O-N 3.2Å; T210-K225 WeakPolarHBondContact OG1-CE 3.45Å
226	W	65.8	Low	60.6	Low	124 Å²	124	120.6 Å²	120.6	47%	0.47	60%	0.603	S	S	.	*			trans	-64.7	136.5	175.6	-55.9	112.5	0	0	0	111.2	W224 N228 G229 P232	W224-W226 HydrophobicContact CB-CD2 4.25Å; W224-W226 HydrophobicContact CB-CZ2 3.77Å; W224-W226 HydrophobicContact CD2-CZ2 4.48Å; W224-W226 AromaticContact CG-CZ2 3.96Å; W224-W226 HydrophobicContact CG-CZ2 3.96Å; W224-W226 PolarHBondContact O-N 2.99Å; W226-N228 PolarHBondContact O-N 3.2Å; W226-G229 PolarHBondContact O-N 3.3Å; W226-P232 HydrophobicContact CZ3-CG 4.48Å
227	K	59.2	Low	59.4	Low	194 Å²	194	119.7 Å²	119.7	84%	0.843	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-58.6	123	171.2	-83.5	-173.7	174.7	-178.5	0	108.9	G229	K227-G229 VanDerWaalsContact C-N 3.3Å; K227-G229 PolarHBondContact O-N 3.35Å
228	N	60.3	Low	58.3	Low	162 Å²	162	123.3 Å²	123.3	87%	0.866	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	68.9	13.9	-177.3	-50.4	-19.4	0	0	0	115.9	W226 V230	W226-N228 PolarHBondContact O-N 3.2Å; N228-V230 PolarHBondContact O-N 3.1Å; N228-V230 VanDerWaalsContact O-N 3.13Å
229	G	58.2	Low	57.9	Low	66 Å²	66	118.2 Å²	118.2	68%	0.68	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	71.3	1.6	176.3	0	0	0	0	0	115.3	W226 K227	W226-G229 PolarHBondContact O-N 3.3Å; K227-G229 VanDerWaalsContact C-N 3.3Å; K227-G229 PolarHBondContact O-N 3.35Å
230	V	58.8	Low	57.5	Low	112 Å²	112	124 Å²	124	68%	0.679	62%	0.624	S	S	*	*			trans	-108.9	119.3	178.5	-174.9	0	0	0	0	108.3	N228	N228-V230 PolarHBondContact O-N 3.1Å; N228-V230 VanDerWaalsContact O-N 3.13Å
231	G	58.7	Low	57.1	Low	35 Å²	35	123.7 Å²	123.7	36%	0.361	63%	0.629	S	S	.	*			trans	-64.8	158.7	173.1	0	0	0	0	0	111.7	E233	G231-E233 PolarHBondContact O-N 3.1Å
232	P	54.9	Low	56.6	Low	71 Å²	71	128.4 Å²	128.4	46%	0.461	64%	0.639	S	S	.	*			trans	-63.1	134.6	179.2	26.1	-33.7	0	0	0	111.8	W226 V234 L235	W226-P232 HydrophobicContact CZ3-CG 4.48Å; P232-V234 PolarHBondContact O-N 3.38Å; P232-L235 HydrophobicContact CG-CD2 3.89Å
233	E	51.7	Low	56.8	Low	202 Å²	202	130.1 Å²	130.1	94%	0.944	65%	0.651	S	S	*	*	S	Bend	trans	-59.4	-28.9	176.9	-88	-173	155.3	0	0	113.5	G231	G231-E233 PolarHBondContact O-N 3.1Å
234	V	51.4	Low	57	Low	90 Å²	90	121.5 Å²	121.5	55%	0.545	62%	0.621	S	S	.	*	S	Bend	trans	-135.6	109.9	-178.4	-175.8	0	0	0	0	109.7	P232 R236	P232-V234 PolarHBondContact O-N 3.38Å; V234-R236 PolarHBondContact O-N 2.96Å
235	L	52.5	Low	57.3	Low	79 Å²	79	118.5 Å²	118.5	41%	0.414	62%	0.621	S	S	.	*			trans	-69.1	119.3	170	-64.8	171.8	0	0	0	109.1	P232	P232-L235 HydrophobicContact CG-CD2 3.89Å
236	R	47.4	Very low	57.6	Low	237 Å²	237	121.3 Å²	121.3	89%	0.894	64%	0.639	S	S	*	*			trans	-92.7	-8.1	-179.2	-66.7	-173.2	-178.8	-174.5	0.4	113.7	V234	V234-R236 PolarHBondContact O-N 2.96Å
237	N	47	Very low	58.1	Low	116 Å²	116	124.1 Å²	124.1	62%	0.62	66%	0.657	S	S	*	*			trans	-83.1	133.5	178	55.9	-23.3	0	0	0	109.9
238	T	49.8	Very low	59	Low	135 Å²	135	120.4 Å²	120.4	83%	0.828	64%	0.642	S	S	*	*			trans	-119.4	133.7	170.6	41.4	0	0	0	0	107.7
239	V	52.3	Low	59.7	Low	107 Å²	107	118.6 Å²	118.6	65%	0.648	62%	0.624	S	S	*	*			trans	-134.3	137.7	177.2	178	0	0	0	0	106.7
240	E	48.3	Very low	60.8	Low	189 Å²	189	120 Å²	120	88%	0.883	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-63.5	136.7	176.6	-67.5	-179.2	173.1	0	0	110.3	Y242	E240-Y242 PolarHBondContact O-N 2.86Å
241	E	54.4	Low	61.8	Low	138 Å²	138	120.1 Å²	120.1	65%	0.645	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-62.9	128.3	174.8	-173.5	-177.2	167.2	0	0	109.8	F252	E241-F252 HydrophobicContact CG-CE1 4.42Å; E241-F252 HydrophobicContact CG-CZ 4.21Å
242	Y	52.9	Low	62.6	Low	177 Å²	177	120.5 Å²	120.5	69%	0.694	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-71.9	131.4	173.3	-177.6	-98.3	0	0	0	109.4	E240 P244	E240-Y242 PolarHBondContact O-N 2.86Å; Y242-P244 WeakPolarHBondContact O-CD 3.45Å
243	P	63.8	Low	63.8	Low	96 Å²	96	121.8 Å²	121.8	62%	0.623	61%	0.606	S	S	*	*			trans	-84.1	101.8	178.8	30.6	-31.1	0	0	0	111
244	P	73.3	Confident	65.2	Low	16 Å²	16	117.9 Å²	117.9	10%	0.104	59%	0.588	C	S	.	*			trans	-69	160.7	177.7	32.4	-40	0	0	0	112.1	Y242 R249 F252	Y242-P244 WeakPolarHBondContact O-CD 3.45Å; P244-R249 HydrophobicContact CG-CG 3.79Å; P244-F252 HydrophobicContact CB-CB 4.25Å; P244-F252 HydrophobicContact CB-CD2 4.48Å; P244-F252 HydrophobicContact CB-CG 4.23Å; P244-F252 HydrophobicContact CG-CB 4.01Å; P244-F252 HydrophobicContact CG-CD1 3.72Å; P244-F252 HydrophobicContact CG-CD2 4.31Å; P244-F252 HydrophobicContact CG-CE1 4.2Å; P244-F252 HydrophobicContact CG-CG 3.76Å
245	A	73.5	Confident	66.5	Low	55 Å²	55	118.5 Å²	118.5	46%	0.455	59%	0.585	S	S	.	*			trans	-59.6	150.1	171.2	0	0	0	0	0	110.9	E247 E248 R249	A245-E247 PolarHBondContact O-N 2.91Å; A245-E247 VanDerWaalsContact O-N 3.17Å; A245-E248 HydrophobicContact CB-CG 4.48Å; A245-E248 PolarHBondContact O-N 2.78Å; A245-R249 PolarHBondContact O-N 3.12Å; A245-R249 VanDerWaalsContact O-N 3.1Å
246	I	75.2	Confident	67.7	Low	147 Å²	147	116.8 Å²	116.8	75%	0.754	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	-38.1	-175	-66.3	169.1	0	0	0	111.7	E248 R249	I246-E248 VanDerWaalsContact C-N 3.35Å; I246-R249 PolarHBondContact O-N 3.26Å
247	E	76.2	Confident	69.2	Low	183 Å²	183	108.9 Å²	108.9	86%	0.855	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-32.4	-179.6	-63.2	173	-167	0	0	112.6	A245	A245-E247 PolarHBondContact O-N 2.91Å; A245-E247 VanDerWaalsContact O-N 3.17Å
248	E	78.9	Confident	70.6	Confident	115 Å²	115	107.1 Å²	107.1	54%	0.537	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-8.7	-177.3	-64.1	171.1	163.7	0	0	112.6	A245 I246 V250 L251 F252	A245-E248 HydrophobicContact CB-CG 4.48Å; A245-E248 PolarHBondContact O-N 2.78Å; I246-E248 VanDerWaalsContact C-N 3.35Å; E248-V250 PolarHBondContact O-N 2.73Å; E248-L251 PolarHBondContact O-N 3.22Å; E248-F252 WeakPolarHBondContact O-CB 3.03Å; E248-F252 PolarHBondContact O-N 3.13Å
249	R	75.4	Confident	71.8	Confident	125 Å²	125	105.4 Å²	105.4	47%	0.472	53%	0.526	S	S	.	.	H	α-helix	trans	-55	-37.2	-179.3	-86	-179.5	-177.9	-135.7	-0.8	112.5	P244 A245 I246 F252 H253	P244-R249 HydrophobicContact CG-CG 3.79Å; A245-R249 PolarHBondContact O-N 3.12Å; A245-R249 VanDerWaalsContact O-N 3.1Å; I246-R249 PolarHBondContact O-N 3.26Å; R249-F252 PolarHBondContact O-N 3.16Å; R249-H253 PolarHBondContact O-N 3.32Å; R249-H253 PolarHBondContact O-ND1 3.32Å
250	V	81	Confident	73	Confident	96 Å²	96	103.7 Å²	103.7	58%	0.582	51%	0.513	S	S	*	.	H	α-helix	trans	-63.7	-51.9	-179.9	-178.1	0	0	0	0	110.2	E248 F252 H253 E254	E248-V250 PolarHBondContact O-N 2.73Å; V250-F252 VanDerWaalsContact C-N 3.32Å; V250-F252 PolarHBondContact O-N 3.34Å; V250-H253 PolarHBondContact O-N 3.44Å; V250-E254 PolarHBondContact O-N 3.43Å
251	L	78.9	Confident	74.2	Confident	114 Å²	114	102 Å²	102	60%	0.597	51%	0.505	S	S	*	.	H	α-helix	trans	-62.8	-38.7	178	-65.2	173.3	0	0	0	111.9	E248 E254 E255	E248-L251 PolarHBondContact O-N 3.22Å; L251-E254 PolarHBondContact O-N 2.93Å; L251-E255 WeakPolarHBondContact O-CB 3.24Å; L251-E255 PolarHBondContact O-N 3.05Å
252	F	76.8	Confident	75.1	Confident	43 Å²	43	100 Å²	100	19%	0.189	50%	0.495	C	S	.	.	H	α-helix	trans	-62.6	-41.3	175.8	178.1	-101.6	0	0	0	112.6	E241 P244 E248 R249 V250 E255 L256	E241-F252 HydrophobicContact CG-CE1 4.42Å; E241-F252 HydrophobicContact CG-CZ 4.21Å; P244-F252 HydrophobicContact CB-CB 4.25Å; P244-F252 HydrophobicContact CB-CD2 4.48Å; P244-F252 HydrophobicContact CB-CG 4.23Å; P244-F252 HydrophobicContact CG-CB 4.01Å; P244-F252 HydrophobicContact CG-CD1 3.72Å; P244-F252 HydrophobicContact CG-CD2 4.31Å; P244-F252 HydrophobicContact CG-CE1 4.2Å; P244-F252 HydrophobicContact CG-CG 3.76Å; E248-F252 WeakPolarHBondContact O-CB 3.03Å; E248-F252 PolarHBondContact O-N 3.13Å; R249-F252 PolarHBondContact O-N 3.16Å; V250-F252 VanDerWaalsContact C-N 3.32Å; V250-F252 PolarHBondContact O-N 3.34Å; F252-E255 PolarHBondContact O-N 2.79Å; F252-L256 HydrophobicContact CD1-CD1 3.8Å; F252-L256 HydrophobicContact CD1-CG 4.45Å; F252-L256 HydrophobicContact CE1-CD1 3.28Å; F252-L256 HydrophobicContact CE1-CG 4.12Å; F252-L256 HydrophobicContact CE2-CD1 4.49Å; F252-L256 HydrophobicContact CZ-CD1 3.69Å; F252-L256 HydrophobicContact CZ-CG 4.16Å; F252-L256 WeakPolarHBondContact O-CB 3.47Å; F252-L256 WeakPolarHBondContact O-CG 3.42Å; F252-L256 PolarHBondContact O-N 2.9Å
253	H	78.7	Confident	75.7	Confident	97 Å²	97	96.5 Å²	96.5	45%	0.449	50%	0.496	S	S	.	.	H	α-helix	trans	-71.8	-33.6	176.6	-75.7	75.8	0	0	0	112.1	R249 V250 S257	R249-H253 PolarHBondContact O-N 3.32Å; R249-H253 PolarHBondContact O-ND1 3.32Å; V250-H253 PolarHBondContact O-N 3.44Å; H253-S257 VanDerWaalsContact O-CB 3.28Å; H253-S257 WeakPolarHBondContact O-CB 3.06Å; H253-S257 PolarHBondContact O-N 2.75Å; H253-S257 PolarHBondContact O-OG 3.26Å
254	E	81.7	Confident	75.7	Confident	120 Å²	120	97.8 Å²	97.8	56%	0.561	49%	0.489	S	S	*	.	H	α-helix	trans	-63.7	-43.3	171.9	-75.3	178.9	179.3	0	0	111.2	V250 L251 S257 N258	V250-E254 PolarHBondContact O-N 3.43Å; L251-E254 PolarHBondContact O-N 2.93Å; E254-S257 PolarHBondContact O-N 2.71Å; E254-N258 WeakPolarHBondContact O-CB 3.29Å; E254-N258 PolarHBondContact O-N 2.88Å
255	E	79.1	Confident	75.2	Confident	103 Å²	103	100.1 Å²	100.1	48%	0.481	50%	0.5	S	S	.	.	H	α-helix	trans	-64.8	-47	176	-174.5	170.6	-157.4	0	0	111.8	L251 F252 S257 N258 W259	L251-E255 WeakPolarHBondContact O-CB 3.24Å; L251-E255 PolarHBondContact O-N 3.05Å; F252-E255 PolarHBondContact O-N 2.79Å; E255-S257 VanDerWaalsContact C-N 3.29Å; E255-S257 PolarHBondContact O-N 3.35Å; E255-N258 WeakPolarHBondContact O-CB 3.38Å; E255-N258 PolarHBondContact O-N 2.98Å; E255-N258 VanDerWaalsContact O-N 3.16Å; E255-W259 HydrophobicContact CG-CZ2 4.12Å; E255-W259 PolarHBondContact O-N 2.83Å; E255-W259 WeakPolarHBondContact OE1-CZ2 3.34Å
256	L	76.9	Confident	74.9	Confident	44 Å²	44	102.9 Å²	102.9	23%	0.23	51%	0.511	C	S	.	.	H	α-helix	trans	-58.3	-41.9	173.6	-79.7	176	0	0	0	111.9	F252 N258 W259 I260 L265	F252-L256 HydrophobicContact CD1-CD1 3.8Å; F252-L256 HydrophobicContact CD1-CG 4.45Å; F252-L256 HydrophobicContact CE1-CD1 3.28Å; F252-L256 HydrophobicContact CE1-CG 4.12Å; F252-L256 HydrophobicContact CE2-CD1 4.49Å; F252-L256 HydrophobicContact CZ-CD1 3.69Å; F252-L256 HydrophobicContact CZ-CG 4.16Å; F252-L256 WeakPolarHBondContact O-CB 3.47Å; F252-L256 WeakPolarHBondContact O-CG 3.42Å; F252-L256 PolarHBondContact O-N 2.9Å; L256-N258 VanDerWaalsContact C-N 3.33Å; L256-N258 PolarHBondContact O-N 2.84Å; L256-W259 PolarHBondContact O-N 3.43Å; L256-I260 VanDerWaalsContact O-CG1 3.3Å; L256-I260 WeakPolarHBondContact O-CG1 3.36Å; L256-I260 PolarHBondContact O-N 2.7Å; L256-L265 HydrophobicContact CD2-CD1 3.56Å
257	S	78.9	Confident	74.4	Confident	71 Å²	71	99.9 Å²	99.9	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-63.1	-41	177.2	-62.4	0	0	0	0	111.4	H253 E254 E255 I260 Q261	H253-S257 VanDerWaalsContact O-CB 3.28Å; H253-S257 WeakPolarHBondContact O-CB 3.06Å; H253-S257 PolarHBondContact O-N 2.75Å; H253-S257 PolarHBondContact O-OG 3.26Å; E254-S257 PolarHBondContact O-N 2.71Å; E255-S257 VanDerWaalsContact C-N 3.29Å; E255-S257 PolarHBondContact O-N 3.35Å; S257-I260 PolarHBondContact O-N 2.82Å; S257-Q261 WeakPolarHBondContact O-CB 3.23Å; S257-Q261 PolarHBondContact O-N 3.18Å
258	N	76.4	Confident	73.7	Confident	79 Å²	79	98.3 Å²	98.3	42%	0.422	49%	0.488	S	S	.	.	H	α-helix	trans	-63.3	-43.8	174	-165.5	1.7	0	0	0	110.8	E254 E255 L256 I260 Q261 Q262	E254-N258 WeakPolarHBondContact O-CB 3.29Å; E254-N258 PolarHBondContact O-N 2.88Å; E255-N258 WeakPolarHBondContact O-CB 3.38Å; E255-N258 PolarHBondContact O-N 2.98Å; E255-N258 VanDerWaalsContact O-N 3.16Å; L256-N258 VanDerWaalsContact C-N 3.33Å; L256-N258 PolarHBondContact O-N 2.84Å; N258-I260 VanDerWaalsContact C-N 3.33Å; N258-I260 PolarHBondContact O-N 3.2Å; N258-Q261 PolarHBondContact O-N 3.49Å; N258-Q261 VanDerWaalsContact O-N 3.17Å; N258-Q262 VanDerWaalsContact O-CG 3.28Å; N258-Q262 WeakPolarHBondContact O-CG 3.16Å; N258-Q262 PolarHBondContact O-N 2.9Å
259	W	75.4	Confident	72.8	Confident	98 Å²	98	95.6 Å²	95.6	37%	0.371	48%	0.477	S	S	.	.	H	α-helix	trans	-64.5	-35.8	177.3	-68.4	15.7	0	0	0	112.6	E255 L256 C263 W264 L265	E255-W259 HydrophobicContact CG-CZ2 4.12Å; E255-W259 PolarHBondContact O-N 2.83Å; E255-W259 WeakPolarHBondContact OE1-CZ2 3.34Å; L256-W259 PolarHBondContact O-N 3.43Å; W259-C263 PolarHBondContact O-N 2.94Å; W259-W264 HydrophobicContact CB-CB 4.36Å; W259-W264 HydrophobicContact CB-CE3 4.36Å; W259-W264 AromaticContact CD1-CE3 3.73Å; W259-W264 AromaticContact CD1-CZ3 3.9Å; W259-W264 HydrophobicContact CD2-CE3 4.45Å; W259-W264 AromaticContact CG-CE3 3.91Å; W259-W264 HydrophobicContact CG-CE3 3.91Å; W259-W264 WeakPolarHBondContact O-CB 3.35Å; W259-W264 PolarHBondContact O-N 2.94Å; W259-L265 HydrophobicContact CB-CD1 4.1Å; W259-L265 HydrophobicContact CB-CG 4.19Å; W259-L265 HydrophobicContact CD2-CD1 4.49Å; W259-L265 HydrophobicContact CE3-CD1 3.64Å; W259-L265 HydrophobicContact CE3-CG 4.06Å; W259-L265 HydrophobicContact CZ3-CD1 4.45Å; W259-L265 PolarHBondContact O-N 2.78Å
260	I	76.2	Confident	71.6	Confident	72 Å²	72	95.3 Å²	95.3	37%	0.369	48%	0.481	S	S	.	.	H	α-helix	trans	-67.2	-43.3	172.7	-67.1	164.8	0	0	0	110.5	L256 S257 N258 Q262 C263 L265 P267	L256-I260 VanDerWaalsContact O-CG1 3.3Å; L256-I260 WeakPolarHBondContact O-CG1 3.36Å; L256-I260 PolarHBondContact O-N 2.7Å; S257-I260 PolarHBondContact O-N 2.82Å; N258-I260 VanDerWaalsContact C-N 3.33Å; N258-I260 PolarHBondContact O-N 3.2Å; I260-Q262 PolarHBondContact O-N 3.09Å; I260-C263 WeakPolarHBondContact O-CA 3.47Å; I260-C263 PolarHBondContact O-N 2.95Å; I260-L265 WeakPolarHBondContact CA-O 3.34Å; I260-L265 HydrophobicContact CG1-CB 4Å; I260-P267 HydrophobicContact CD1-CG 4.33Å; I260-P267 HydrophobicContact CG2-CG 4.3Å
261	Q	74.4	Confident	70.5	Confident	152 Å²	152	98.5 Å²	98.5	71%	0.71	50%	0.495	S	S	*	.	H	α-helix	trans	-64.2	-37.8	177.9	-173.7	-179.3	9.8	0	0	112.7	S257 N258 C263	S257-Q261 WeakPolarHBondContact O-CB 3.23Å; S257-Q261 PolarHBondContact O-N 3.18Å; N258-Q261 PolarHBondContact O-N 3.49Å; N258-Q261 VanDerWaalsContact O-N 3.17Å; Q261-C263 PolarHBondContact O-N 3.23Å
262	Q	73.3	Confident	69.6	Low	96 Å²	96	101.6 Å²	101.6	45%	0.449	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	2.9	173.7	-61	-57.7	-43.4	0	0	112.9	N258 I260 W264	N258-Q262 VanDerWaalsContact O-CG 3.28Å; N258-Q262 WeakPolarHBondContact O-CG 3.16Å; N258-Q262 PolarHBondContact O-N 2.9Å; I260-Q262 PolarHBondContact O-N 3.09Å; Q262-W264 HydrophobicContact CB-CD2 3.85Å; Q262-W264 HydrophobicContact CB-CE3 4.47Å; Q262-W264 HydrophobicContact CB-CG 4.02Å; Q262-W264 HydrophobicContact CB-CZ2 4.14Å; Q262-W264 HydrophobicContact CG-CZ2 4.28Å; Q262-W264 PolarHBondContact O-N 3.47Å; Q262-W264 PolarHBondContact O-NE1 2.96Å
263	C	66.6	Low	68.3	Low	105 Å²	105	104.1 Å²	104.1	71%	0.709	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	26	-176.2	-61.1	0	0	0	0	114.1	W259 I260 Q261	W259-C263 PolarHBondContact O-N 2.94Å; I260-C263 WeakPolarHBondContact O-CA 3.47Å; I260-C263 PolarHBondContact O-N 2.95Å; Q261-C263 PolarHBondContact O-N 3.23Å
264	W	62.1	Low	66.8	Low	123 Å²	123	100.7 Å²	100.7	47%	0.466	51%	0.507	S	S	.	.	S	Bend	trans	-81.4	-29.6	174.4	-59.8	-10.3	0	0	0	111.9	W259 Q262	W259-W264 HydrophobicContact CB-CB 4.36Å; W259-W264 HydrophobicContact CB-CE3 4.36Å; W259-W264 AromaticContact CD1-CE3 3.73Å; W259-W264 AromaticContact CD1-CZ3 3.9Å; W259-W264 HydrophobicContact CD2-CE3 4.45Å; W259-W264 AromaticContact CG-CE3 3.91Å; W259-W264 HydrophobicContact CG-CE3 3.91Å; W259-W264 WeakPolarHBondContact O-CB 3.35Å; W259-W264 PolarHBondContact O-N 2.94Å; Q262-W264 HydrophobicContact CB-CD2 3.85Å; Q262-W264 HydrophobicContact CB-CE3 4.47Å; Q262-W264 HydrophobicContact CB-CG 4.02Å; Q262-W264 HydrophobicContact CB-CZ2 4.14Å; Q262-W264 HydrophobicContact CG-CZ2 4.28Å; Q262-W264 PolarHBondContact O-N 3.47Å; Q262-W264 PolarHBondContact O-NE1 2.96Å
265	L	63.5	Low	65.1	Low	65 Å²	65	98.7 Å²	98.7	34%	0.34	51%	0.505	S	S	.	.	S	Bend	trans	-121.6	143.3	171.1	-69.6	179.8	0	0	0	110.3	L256 W259 I260	L256-L265 HydrophobicContact CD2-CD1 3.56Å; W259-L265 HydrophobicContact CB-CD1 4.1Å; W259-L265 HydrophobicContact CB-CG 4.19Å; W259-L265 HydrophobicContact CD2-CD1 4.49Å; W259-L265 HydrophobicContact CE3-CD1 3.64Å; W259-L265 HydrophobicContact CE3-CG 4.06Å; W259-L265 HydrophobicContact CZ3-CD1 4.45Å; W259-L265 PolarHBondContact O-N 2.78Å; I260-L265 WeakPolarHBondContact CA-O 3.34Å; I260-L265 HydrophobicContact CG1-CB 4Å
266	V	66.7	Low	63.2	Low	113 Å²	113	98.6 Å²	98.6	69%	0.685	52%	0.521	S	S	*	.			trans	-119.6	125.6	174.6	-177.6	0	0	0	0	108.2	Y268	V266-Y268 PolarHBondContact O-N 3.21Å
267	P	65.5	Low	61.5	Low	84 Å²	84	104.9 Å²	104.9	55%	0.545	55%	0.547	S	S	.	.			trans	-54.8	133.3	177.3	-26.5	34.5	0	0	0	112	I260 N269	I260-P267 HydrophobicContact CD1-CG 4.33Å; I260-P267 HydrophobicContact CG2-CG 4.3Å; P267-N269 PolarHBondContact O-N 2.87Å
268	Y	62.2	Low	59.9	Low	149 Å²	149	107.2 Å²	107.2	58%	0.584	56%	0.558	S	S	*	*			trans	-59.3	123.8	176.5	-175.6	-97.6	0	0	0	109.6	V266 E270 Q273 G274	V266-Y268 PolarHBondContact O-N 3.21Å; Y268-E270 HydrophobicContact CE1-CB 4.21Å; Y268-Q273 HydrophobicContact CE2-CB 3.77Å; Y268-Q273 HydrophobicContact CE2-CG 4.36Å; Y268-Q273 VanDerWaalsContact CE2-OE1 3.24Å; Y268-G274 PolarHBondContact OH-O 2.86Å
269	N	58.6	Low	58.4	Low	59 Å²	59	107.8 Å²	107.8	32%	0.316	56%	0.561	S	S	.	*			trans	-113.8	95.9	-175.6	-174.4	-27.8	0	0	0	108.9	P267 N271 K272 Q273	P267-N269 PolarHBondContact O-N 2.87Å; N269-N271 PolarHBondContact O-N 2.93Å; N269-N271 WeakPolarHBondContact OD1-CB 3.3Å; N269-N271 PolarHBondContact OD1-N 3.47Å; N269-N271 VanDerWaalsContact OD1-N 3.12Å; N269-K272 HydrophobicContact CB-CB 4.17Å; N269-K272 HydrophobicContact CB-CD 4.44Å; N269-K272 HydrophobicContact CB-CG 4.35Å; N269-K272 CarbonylContact O-C 3.54Å; N269-K272 WeakPolarHBondContact O-CA 3.04Å; N269-K272 PolarHBondContact O-N 2.81Å; N269-K272 PolarHBondContact OD1-N 3.5Å; N269-Q273 WeakPolarHBondContact O-CB 3.44Å; N269-Q273 PolarHBondContact O-N 2.86Å
270	E	50.4	Low	56.8	Low	118 Å²	118	106.1 Å²	106.1	55%	0.551	56%	0.557	S	S	*	*	H	α-helix	trans	-58.1	-29.6	-179.1	-168	174.1	-177.2	0	0	112.6	Y268 K272 Q273 G274	Y268-E270 HydrophobicContact CE1-CB 4.21Å; E270-K272 VanDerWaalsContact C-N 3.3Å; E270-K272 PolarHBondContact O-N 3.23Å; E270-Q273 PolarHBondContact O-N 3.28Å; E270-G274 VanDerWaalsContact O-CA 3.31Å; E270-G274 WeakPolarHBondContact O-CA 3.48Å; E270-G274 PolarHBondContact O-N 3.35Å
271	N	58.8	Low	55.4	Low	163 Å²	163	110.1 Å²	110.1	87%	0.872	58%	0.579	S	S	*	*	H	α-helix	trans	-67.6	-30.2	174.4	-60	-39.3	0	0	0	112.5	N269	N269-N271 PolarHBondContact O-N 2.93Å; N269-N271 WeakPolarHBondContact OD1-CB 3.3Å; N269-N271 PolarHBondContact OD1-N 3.47Å; N269-N271 VanDerWaalsContact OD1-N 3.12Å
272	K	60	Low	54.1	Low	179 Å²	179	108.2 Å²	108.2	78%	0.778	58%	0.578	S	S	*	*	H	α-helix	trans	-90.8	-28.5	175	-67.7	-174.2	178.2	-175.6	0	112.9	N269 E270	N269-K272 HydrophobicContact CB-CB 4.17Å; N269-K272 HydrophobicContact CB-CD 4.44Å; N269-K272 HydrophobicContact CB-CG 4.35Å; N269-K272 CarbonylContact O-C 3.54Å; N269-K272 WeakPolarHBondContact O-CA 3.04Å; N269-K272 PolarHBondContact O-N 2.81Å; N269-K272 PolarHBondContact OD1-N 3.5Å; E270-K272 VanDerWaalsContact C-N 3.3Å; E270-K272 PolarHBondContact O-N 3.23Å
273	Q	50	Low	53.1	Low	96 Å²	96	107 Å²	107	45%	0.449	58%	0.577	S	S	.	*	H	α-helix	trans	-116	-13.4	-165.5	-65.1	173.8	-50	0	0	114.7	Y268 N269 E270	Y268-Q273 HydrophobicContact CE2-CB 3.77Å; Y268-Q273 HydrophobicContact CE2-CG 4.36Å; Y268-Q273 VanDerWaalsContact CE2-OE1 3.24Å; N269-Q273 WeakPolarHBondContact O-CB 3.44Å; N269-Q273 PolarHBondContact O-N 2.86Å; E270-Q273 PolarHBondContact O-N 3.28Å
274	G	46.9	Very low	53.1	Low	25 Å²	25	109.2 Å²	109.2	26%	0.258	57%	0.574	S	S	.	*			trans	75.9	166.9	176	0	0	0	0	0	115.6	Y268 E270	Y268-G274 PolarHBondContact OH-O 2.86Å; E270-G274 VanDerWaalsContact O-CA 3.31Å; E270-G274 WeakPolarHBondContact O-CA 3.48Å; E270-G274 PolarHBondContact O-N 3.35Å
275	P	44.7	Very low	52.9	Low	79 Å²	79	104.5 Å²	104.5	51%	0.513	56%	0.558	S	S	.	*			trans	-76.1	158.2	-178.1	29.1	-35.1	0	0	0	113.6
276	A	40.1	Very low	53.1	Low	101 Å²	101	104.9 Å²	104.9	84%	0.835	57%	0.566	S	S	*	*			trans	-72.1	143.5	-178.7	0	0	0	0	0	114.1
277	K	41.5	Very low	53.1	Low	175 Å²	175	103.6 Å²	103.6	76%	0.761	56%	0.556	S	S	*	*			trans	-135.8	153.5	-166.1	-60.1	178.3	-175.9	176.4	0	115
278	V	45.6	Very low	52.9	Low	120 Å²	120	102 Å²	102	73%	0.727	54%	0.544	S	S	*	.			trans	-121.1	147.5	174.8	-179.6	0	0	0	0	110.7
279	N	44	Very low	53	Low	92 Å²	92	97 Å²	97	49%	0.492	53%	0.529	S	S	.	.			trans	-115	119.9	-167.3	-171.6	-6.7	0	0	0	114.8	D281 V282	N279-D281 WeakPolarHBondContact OD1-CB 3.47Å; N279-D281 PolarHBondContact OD1-N 3.12Å; N279-D281 PolarHBondContact OD1-OD2 2.81Å; N279-V282 HydrophobicContact CB-CG2 4.39Å
280	E	41.6	Very low	53.5	Low	63 Å²	63	100.8 Å²	100.8	29%	0.294	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-23	176.9	-92	-167.4	121.7	0	0	115.6	V282 V283 I285 G308 W310	E280-V282 PolarHBondContact O-N 3.35Å; E280-V282 VanDerWaalsContact O-N 3.08Å; E280-V283 CarbonylContact O-C 3.38Å; E280-V283 PolarHBondContact O-N 3.38Å; E280-I285 HydrophobicContact CG-CD1 3.65Å; E280-I285 HydrophobicContact CG-CG1 3.71Å; E280-I285 WeakPolarHBondContact OE1-CD1 3.44Å; E280-I285 VanDerWaalsContact OE1-CG1 3.28Å; E280-I285 WeakPolarHBondContact OE1-CG1 3.31Å; E280-G308 WeakPolarHBondContact OE2-CA 3.41Å; E280-W310 PolarHBondContact OE2-NE1 3.38Å
281	D	47	Very low	54	Low	155 Å²	155	100.8 Å²	100.8	83%	0.829	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20	179.7	-65.6	-33.8	0	0	0	112.2	N279	N279-D281 WeakPolarHBondContact OD1-CB 3.47Å; N279-D281 PolarHBondContact OD1-N 3.12Å; N279-D281 PolarHBondContact OD1-OD2 2.81Å
282	V	47	Very low	54	Low	113 Å²	113	94.3 Å²	94.3	69%	0.685	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-38.9	-179.6	-171.1	0	0	0	0	111.2	N279 E280	N279-V282 HydrophobicContact CB-CG2 4.39Å; E280-V282 PolarHBondContact O-N 3.35Å; E280-V282 VanDerWaalsContact O-N 3.08Å
283	V	53	Low	54.1	Low	71 Å²	71	88.6 Å²	88.6	43%	0.43	50%	0.496	S	S	.	.	S	Bend	trans	-152.4	124	-178	-177.6	0	0	0	0	110.4	E280 I285 N287 V288	E280-V283 CarbonylContact O-C 3.38Å; E280-V283 PolarHBondContact O-N 3.38Å; V283-I285 PolarHBondContact O-N 2.92Å; V283-N287 HydrophobicContact CG1-CB 4.34Å; V283-V288 HydrophobicContact CB-CG2 4.38Å; V283-V288 HydrophobicContact CG1-CG2 3.59Å
284	K	66.7	Low	54	Low	150 Å²	150	91.5 Å²	91.5	65%	0.652	51%	0.509	S	S	*	.			trans	-58.9	131.7	171.3	-72.1	-173.6	176.1	-178.4	0	111.1	S286 N287 V288	K284-S286 VanDerWaalsContact C-N 3.27Å; K284-S286 PolarHBondContact O-N 3.39Å; K284-N287 VanDerWaalsContact O-CB 3.31Å; K284-N287 WeakPolarHBondContact O-CB 3.38Å; K284-N287 PolarHBondContact O-N 3.29Å; K284-V288 PolarHBondContact O-N 2.92Å
285	I	56.3	Low	54	Low	25 Å²	25	96.7 Å²	96.7	13%	0.128	53%	0.525	C	S	.	.	H	α-helix	trans	-58.1	-36.6	-178.3	-71.3	170.4	0	0	0	113.3	E280 V283 N287 V288 V289 P302 W310	E280-I285 HydrophobicContact CG-CD1 3.65Å; E280-I285 HydrophobicContact CG-CG1 3.71Å; E280-I285 WeakPolarHBondContact OE1-CD1 3.44Å; E280-I285 VanDerWaalsContact OE1-CG1 3.28Å; E280-I285 WeakPolarHBondContact OE1-CG1 3.31Å; V283-I285 PolarHBondContact O-N 2.92Å; I285-N287 PolarHBondContact O-N 2.81Å; I285-V288 WeakPolarHBondContact O-CB 3.38Å; I285-V288 PolarHBondContact O-N 2.77Å; I285-V289 HydrophobicContact CG2-CG2 4.17Å; I285-V289 WeakPolarHBondContact O-CG2 3.29Å; I285-V289 PolarHBondContact O-N 2.94Å; I285-P302 HydrophobicContact CG2-CB 3.99Å; I285-P302 HydrophobicContact CG2-CG 3.71Å; I285-W310 HydrophobicContact CD1-CB 3.35Å; I285-W310 HydrophobicContact CD1-CD2 3.87Å; I285-W310 HydrophobicContact CD1-CG 3.16Å
286	S	68.6	Low	53.9	Low	73 Å²	73	95.8 Å²	95.8	51%	0.51	53%	0.53	S	S	.	.	H	α-helix	trans	-55.9	-37.5	175.9	54.6	0	0	0	0	111.9	K284 Q290	K284-S286 VanDerWaalsContact C-N 3.27Å; K284-S286 PolarHBondContact O-N 3.39Å; S286-Q290 VanDerWaalsContact O-CB 3.28Å; S286-Q290 WeakPolarHBondContact O-CB 3.35Å; S286-Q290 PolarHBondContact O-N 2.97Å
287	N	67.1	Low	53.9	Low	86 Å²	86	93.4 Å²	93.4	46%	0.46	50%	0.503	S	S	.	.	H	α-helix	trans	-69.8	-39.3	177.1	-61.3	0.6	0	0	0	110.6	V283 K284 I285 Q290 H291	V283-N287 HydrophobicContact CG1-CB 4.34Å; K284-N287 VanDerWaalsContact O-CB 3.31Å; K284-N287 WeakPolarHBondContact O-CB 3.38Å; K284-N287 PolarHBondContact O-N 3.29Å; I285-N287 PolarHBondContact O-N 2.81Å; N287-Q290 PolarHBondContact O-N 3.2Å; N287-H291 WeakPolarHBondContact O-CB 3.49Å; N287-H291 PolarHBondContact O-N 2.91Å
288	V	60.7	Low	54.2	Low	50 Å²	50	89.4 Å²	89.4	30%	0.303	49%	0.494	S	S	.	.	H	α-helix	trans	-62.6	-46.8	176.4	-175.7	0	0	0	0	110.5	V283 K284 I285 H291 L292 L312	V283-V288 HydrophobicContact CB-CG2 4.38Å; V283-V288 HydrophobicContact CG1-CG2 3.59Å; K284-V288 PolarHBondContact O-N 2.92Å; I285-V288 WeakPolarHBondContact O-CB 3.38Å; I285-V288 PolarHBondContact O-N 2.77Å; V288-H291 PolarHBondContact O-N 3.27Å; V288-L292 HydrophobicContact CG1-CD1 4.02Å; V288-L292 WeakPolarHBondContact O-CB 3.46Å; V288-L292 WeakPolarHBondContact O-CD1 3.24Å; V288-L292 WeakPolarHBondContact O-CG 3.49Å; V288-L292 PolarHBondContact O-N 3.06Å; V288-L312 HydrophobicContact CB-CD1 4.28Å; V288-L312 HydrophobicContact CG1-CD1 3.72Å
289	V	65.5	Low	54.6	Low	44 Å²	44	85 Å²	85	27%	0.267	47%	0.468	S	S	.	.	H	α-helix	trans	-64.2	-45.8	177.9	176	0	0	0	0	111.5	I285 H291 L292 A293 P302 L312	I285-V289 HydrophobicContact CG2-CG2 4.17Å; I285-V289 WeakPolarHBondContact O-CG2 3.29Å; I285-V289 PolarHBondContact O-N 2.94Å; V289-H291 VanDerWaalsContact C-N 3.35Å; V289-H291 PolarHBondContact O-N 2.81Å; V289-L292 PolarHBondContact O-N 3.22Å; V289-A293 WeakPolarHBondContact O-CB 3.3Å; V289-A293 PolarHBondContact O-N 3.12Å; V289-P302 HydrophobicContact CG2-CG 4.17Å; V289-L312 HydrophobicContact CG2-CD1 4.47Å; V289-L312 HydrophobicContact CG2-CD2 3.73Å
290	Q	67.4	Low	55.1	Low	138 Å²	138	88.3 Å²	88.3	65%	0.645	48%	0.478	S	S	*	.	H	α-helix	trans	-65	-38.2	177.7	-172.1	179.9	5.9	0	0	112.1	S286 N287 A293 H294	S286-Q290 VanDerWaalsContact O-CB 3.28Å; S286-Q290 WeakPolarHBondContact O-CB 3.35Å; S286-Q290 PolarHBondContact O-N 2.97Å; N287-Q290 PolarHBondContact O-N 3.2Å; Q290-A293 PolarHBondContact O-N 3.29Å; Q290-H294 PolarHBondContact O-N 2.89Å
291	H	61.8	Low	56	Low	118 Å²	118	89.2 Å²	89.2	55%	0.546	50%	0.497	S	S	.	.	H	α-helix	trans	-65	-44.2	176.9	-168.8	71.6	0	0	0	111.1	N287 V288 V289 A293 H294 F295	N287-H291 WeakPolarHBondContact O-CB 3.49Å; N287-H291 PolarHBondContact O-N 2.91Å; V288-H291 PolarHBondContact O-N 3.27Å; V289-H291 VanDerWaalsContact C-N 3.35Å; V289-H291 PolarHBondContact O-N 2.81Å; H291-A293 VanDerWaalsContact C-N 3.34Å; H291-A293 PolarHBondContact O-N 2.65Å; H291-H294 WeakPolarHBondContact O-CB 3.26Å; H291-H294 PolarHBondContact O-N 2.72Å; H291-F295 AromaticContact CD2-CE2 3.94Å; H291-F295 AromaticContact CE1-CE2 3.57Å; H291-F295 AromaticContact NE2-CE2 3.5Å; H291-F295 WeakPolarHBondContact NE2-CE2 3.24Å; H291-F295 WeakPolarHBondContact O-CD2 3.41Å; H291-F295 PolarHBondContact O-N 2.85Å
292	L	58.5	Low	56.5	Low	27 Å²	27	83.9 Å²	83.9	14%	0.141	47%	0.47	C	S	.	.	H	α-helix	trans	-61.2	-43.4	174.3	-69.2	167.5	0	0	0	111.4	V288 V289 H294 F295 G296 L297 L314	V288-L292 HydrophobicContact CG1-CD1 4.02Å; V288-L292 WeakPolarHBondContact O-CB 3.46Å; V288-L292 WeakPolarHBondContact O-CD1 3.24Å; V288-L292 WeakPolarHBondContact O-CG 3.49Å; V288-L292 PolarHBondContact O-N 3.06Å; V289-L292 PolarHBondContact O-N 3.22Å; L292-H294 VanDerWaalsContact C-N 3.31Å; L292-H294 PolarHBondContact O-N 3.4Å; L292-F295 PolarHBondContact O-N 3.3Å; L292-F295 VanDerWaalsContact O-N 3.09Å; L292-G296 PolarHBondContact O-N 3.21Å; L292-L297 CarbonylContact C-O 2.97Å; L292-L297 HydrophobicContact CB-CB 4.22Å; L292-L297 HydrophobicContact CD2-CB 4.43Å; L292-L297 HydrophobicContact CD2-CD1 4.02Å; L292-L297 WeakPolarHBondContact O-CA 3.48Å; L292-L297 WeakPolarHBondContact O-CB 3.48Å; L292-L297 PolarHBondContact O-N 3.2Å; L292-L297 VanDerWaalsContact O-O 3.13Å; L292-L314 HydrophobicContact CB-CD2 4.37Å; L292-L314 HydrophobicContact CD1-CD2 3.67Å; L292-L314 HydrophobicContact CD1-CG 4.4Å; L292-L314 HydrophobicContact CD2-CD1 4.32Å; L292-L314 HydrophobicContact CD2-CD2 3.66Å; L292-L314 HydrophobicContact CG-CD2 4.06Å
293	A	61.8	Low	56.8	Low	59 Å²	59	82.9 Å²	82.9	49%	0.488	46%	0.464	S	S	.	.	H	α-helix	trans	-62.3	-35.8	176.4	0	0	0	0	0	112.9	V289 Q290 H291 F295 G296 L297	V289-A293 WeakPolarHBondContact O-CB 3.3Å; V289-A293 PolarHBondContact O-N 3.12Å; Q290-A293 PolarHBondContact O-N 3.29Å; H291-A293 VanDerWaalsContact C-N 3.34Å; H291-A293 PolarHBondContact O-N 2.65Å; A293-F295 PolarHBondContact O-N 2.83Å; A293-G296 PolarHBondContact O-N 2.98Å; A293-L297 PolarHBondContact N-O 2.81Å
294	H	49.3	Very low	56.5	Low	157 Å²	157	86.8 Å²	86.8	73%	0.727	47%	0.471	S	S	*	.	H	α-helix	trans	-59.6	-33	174.4	-174.9	77.2	0	0	0	112.5	Q290 H291 L292 G296	Q290-H294 PolarHBondContact O-N 2.89Å; H291-H294 WeakPolarHBondContact O-CB 3.26Å; H291-H294 PolarHBondContact O-N 2.72Å; L292-H294 VanDerWaalsContact C-N 3.31Å; L292-H294 PolarHBondContact O-N 3.4Å; H294-G296 VanDerWaalsContact C-N 3.29Å; H294-G296 PolarHBondContact O-N 3.35Å
295	F	46.7	Very low	56	Low	134 Å²	134	84.9 Å²	84.9	59%	0.588	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	9.9	174.6	-69.2	-73.9	0	0	0	113.9	H291 L292 A293 L297	H291-F295 AromaticContact CD2-CE2 3.94Å; H291-F295 AromaticContact CE1-CE2 3.57Å; H291-F295 AromaticContact NE2-CE2 3.5Å; H291-F295 WeakPolarHBondContact NE2-CE2 3.24Å; H291-F295 WeakPolarHBondContact O-CD2 3.41Å; H291-F295 PolarHBondContact O-N 2.85Å; L292-F295 PolarHBondContact O-N 3.3Å; L292-F295 VanDerWaalsContact O-N 3.09Å; A293-F295 PolarHBondContact O-N 2.83Å; F295-L297 HydrophobicContact CB-CD1 4.22Å; F295-L297 HydrophobicContact CB-CG 4.27Å; F295-L297 PolarHBondContact O-N 2.84Å
296	G	41.6	Very low	55.1	Low	61 Å²	61	86.1 Å²	86.1	63%	0.629	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	14	-176.9	0	0	0	0	0	114	L292 A293 H294	L292-G296 PolarHBondContact O-N 3.21Å; A293-G296 PolarHBondContact O-N 2.98Å; H294-G296 VanDerWaalsContact C-N 3.29Å; H294-G296 PolarHBondContact O-N 3.35Å
297	L	41.2	Very low	54.1	Low	51 Å²	51	88 Å²	88	27%	0.267	49%	0.494	S	S	.	.			trans	-94.7	114.3	178.4	-58.9	171.6	0	0	0	109.1	L292 A293 F295 L314 I316	L292-L297 CarbonylContact C-O 2.97Å; L292-L297 HydrophobicContact CB-CB 4.22Å; L292-L297 HydrophobicContact CD2-CB 4.43Å; L292-L297 HydrophobicContact CD2-CD1 4.02Å; L292-L297 WeakPolarHBondContact O-CA 3.48Å; L292-L297 WeakPolarHBondContact O-CB 3.48Å; L292-L297 PolarHBondContact O-N 3.2Å; L292-L297 VanDerWaalsContact O-O 3.13Å; A293-L297 PolarHBondContact N-O 2.81Å; F295-L297 HydrophobicContact CB-CD1 4.22Å; F295-L297 HydrophobicContact CB-CG 4.27Å; F295-L297 PolarHBondContact O-N 2.84Å; L297-L314 HydrophobicContact CB-CD2 4.02Å; L297-I316 HydrophobicContact CD2-CG1 4.3Å
298	T	46.4	Very low	52.9	Low	91 Å²	91	85.3 Å²	85.3	56%	0.558	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.6	175.2	12.6	0	0	0	0	109.9	K315	T298-K315 PolarHBondContact O-N 2.71Å; T298-K315 VanDerWaalsContact O-N 3.09Å
299	S	53.9	Low	51.8	Low	28 Å²	28	83.8 Å²	83.8	20%	0.196	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	148.7	173.2	62.1	0	0	0	0	111.8	G313	S299-G313 CarbonylContact C-O 3.59Å; S299-G313 WeakPolarHBondContact CA-O 3.37Å
300	K	55.5	Low	50.5	Low	161 Å²	161	85.8 Å²	85.8	70%	0.7	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-57.3	155	163.7	-74	-174.1	177.1	-179.3	0	110	G313	K300-G313 PolarHBondContact N-O 2.72Å
301	A	60.8	Low	49.1	Very low	82 Å²	82	83.1 Å²	83.1	68%	0.678	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-53	128.6	171.6	0	0	0	0	0	109.4	V303	A301-V303 PolarHBondContact O-N 3.49Å
302	P	57.3	Low	47.9	Very low	42 Å²	42	80.2 Å²	80.2	27%	0.273	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-56.4	130.8	179.3	-13.7	21.2	0	0	0	109.5	I285 V289 W310 V311 L312	I285-P302 HydrophobicContact CG2-CB 3.99Å; I285-P302 HydrophobicContact CG2-CG 3.71Å; V289-P302 HydrophobicContact CG2-CG 4.17Å; P302-W310 VanDerWaalsContact C-CE3 3.45Å; P302-W310 HydrophobicContact CB-CB 4.37Å; P302-W310 HydrophobicContact CB-CD2 4.23Å; P302-W310 HydrophobicContact CB-CE3 3.48Å; P302-W310 VanDerWaalsContact CB-CE3 3.48Å; P302-W310 HydrophobicContact CB-CZ3 4.04Å; P302-W310 VanDerWaalsContact O-CE3 3.27Å; P302-W310 WeakPolarHBondContact O-CZ3 3.2Å; P302-V311 WeakPolarHBondContact CA-O 3.4Å; P302-L312 HydrophobicContact CB-CD2 3.98Å; P302-L312 HydrophobicContact CG-CD2 3.77Å
303	V	52.9	Low	46.9	Very low	93 Å²	93	80.3 Å²	80.3	56%	0.564	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.6	174.9	179.6	0	0	0	0	109.1	A301 I305 W310 V311	A301-V303 PolarHBondContact O-N 3.49Å; V303-I305 HydrophobicContact CG1-CG2 4.47Å; V303-I305 PolarHBondContact O-N 3.01Å; V303-W310 VanDerWaalsContact C-CE3 3.44Å; V303-W310 WeakPolarHBondContact O-CA 3.43Å; V303-V311 PolarHBondContact N-O 2.82Å; V303-V311 VanDerWaalsContact N-O 3.08Å; V303-V311 PolarHBondContact O-N 2.86Å
304	R	46.2	Very low	45.3	Very low	152 Å²	152	82.1 Å²	82.1	57%	0.574	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	113.4	178.7	-167.2	174.8	178	-124.6	6.4	109	A306 W310	R304-A306 WeakPolarHBondContact CG-O 3.41Å; R304-W310 VanDerWaalsContact CA-CE3 3.44Å; R304-W310 HydrophobicContact CB-CD2 3.58Å; R304-W310 HydrophobicContact CB-CE3 3.54Å; R304-W310 HydrophobicContact CB-CG 4.35Å; R304-W310 HydrophobicContact CB-CH2 3.72Å; R304-W310 HydrophobicContact CB-CZ2 3.75Å; R304-W310 HydrophobicContact CB-CZ3 3.62Å; R304-W310 HydrophobicContact CG-CD2 3.94Å; R304-W310 HydrophobicContact CG-CE3 4.39Å; R304-W310 HydrophobicContact CG-CG 4.43Å; R304-W310 HydrophobicContact CG-CH2 4.29Å; R304-W310 HydrophobicContact CG-CZ2 3.82Å
305	I	56.6	Low	44.4	Very low	110 Å²	110	80.8 Å²	80.8	56%	0.564	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	-23.6	178.5	54.4	166.6	0	0	0	111.8	V303 A309 V311	V303-I305 HydrophobicContact CG1-CG2 4.47Å; V303-I305 PolarHBondContact O-N 3.01Å; I305-A309 HydrophobicContact CG1-CB 4.15Å; I305-A309 VanDerWaalsContact CG1-O 3.28Å; I305-A309 WeakPolarHBondContact CG1-O 3.32Å; I305-A309 PolarHBondContact N-O 2.86Å; I305-V311 HydrophobicContact CD1-CG2 3.81Å; I305-V311 HydrophobicContact CG1-CG2 4.32Å; I305-V311 HydrophobicContact CG2-CG2 4.25Å
306	A	38.2	Very low	43.5	Very low	52 Å²	52	80.8 Å²	80.8	43%	0.43	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	173	172.3	0	0	0	0	0	111.3	R304 G308 A309	R304-A306 WeakPolarHBondContact CG-O 3.41Å; A306-G308 PolarHBondContact O-N 2.86Å; A306-A309 HydrophobicContact CB-CB 4.27Å; A306-A309 PolarHBondContact N-O 2.74Å; A306-A309 PolarHBondContact O-N 2.85Å
307	S	46.4	Very low	42.9	Very low	111 Å²	111	87 Å²	87	78%	0.776	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	109.9	171.5	177	0	0	0	0	110.9
308	G	43	Very low	42.1	Very low	31 Å²	31	87.8 Å²	87.8	32%	0.32	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	3.4	-179.5	0	0	0	0	0	116	E280 A306	E280-G308 WeakPolarHBondContact OE2-CA 3.41Å; A306-G308 PolarHBondContact O-N 2.86Å
309	A	36.5	Very low	41.1	Very low	17 Å²	17	95 Å²	95	14%	0.14	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.7	-174.8	0	0	0	0	0	112	I305 A306	I305-A309 HydrophobicContact CG1-CB 4.15Å; I305-A309 VanDerWaalsContact CG1-O 3.28Å; I305-A309 WeakPolarHBondContact CG1-O 3.32Å; I305-A309 PolarHBondContact N-O 2.86Å; A306-A309 HydrophobicContact CB-CB 4.27Å; A306-A309 PolarHBondContact N-O 2.74Å; A306-A309 PolarHBondContact O-N 2.85Å
310	W	39.5	Very low	39.8	Very low	87 Å²	87	97.6 Å²	97.6	33%	0.33	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.9	-177.1	-58.6	70	0	0	0	111.6	E280 I285 P302 V303 R304	E280-W310 PolarHBondContact OE2-NE1 3.38Å; I285-W310 HydrophobicContact CD1-CB 3.35Å; I285-W310 HydrophobicContact CD1-CD2 3.87Å; I285-W310 HydrophobicContact CD1-CG 3.16Å; P302-W310 VanDerWaalsContact C-CE3 3.45Å; P302-W310 HydrophobicContact CB-CB 4.37Å; P302-W310 HydrophobicContact CB-CD2 4.23Å; P302-W310 HydrophobicContact CB-CE3 3.48Å; P302-W310 VanDerWaalsContact CB-CE3 3.48Å; P302-W310 HydrophobicContact CB-CZ3 4.04Å; P302-W310 VanDerWaalsContact O-CE3 3.27Å; P302-W310 WeakPolarHBondContact O-CZ3 3.2Å; V303-W310 VanDerWaalsContact C-CE3 3.44Å; V303-W310 WeakPolarHBondContact O-CA 3.43Å; R304-W310 VanDerWaalsContact CA-CE3 3.44Å; R304-W310 HydrophobicContact CB-CD2 3.58Å; R304-W310 HydrophobicContact CB-CE3 3.54Å; R304-W310 HydrophobicContact CB-CG 4.35Å; R304-W310 HydrophobicContact CB-CH2 3.72Å; R304-W310 HydrophobicContact CB-CZ2 3.75Å; R304-W310 HydrophobicContact CB-CZ3 3.62Å; R304-W310 HydrophobicContact CG-CD2 3.94Å; R304-W310 HydrophobicContact CG-CE3 4.39Å; R304-W310 HydrophobicContact CG-CG 4.43Å; R304-W310 HydrophobicContact CG-CH2 4.29Å; R304-W310 HydrophobicContact CG-CZ2 3.82Å
311	V	38.1	Very low	38.5	Very low	82 Å²	82	98.3 Å²	98.3	50%	0.497	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.9	179	-176.3	0	0	0	0	110.4	P302 V303 I305	P302-V311 WeakPolarHBondContact CA-O 3.4Å; V303-V311 PolarHBondContact N-O 2.82Å; V303-V311 VanDerWaalsContact N-O 3.08Å; V303-V311 PolarHBondContact O-N 2.86Å; I305-V311 HydrophobicContact CD1-CG2 3.81Å; I305-V311 HydrophobicContact CG1-CG2 4.32Å; I305-V311 HydrophobicContact CG2-CG2 4.25Å
312	L	35.6	Very low	36.9	Very low	57 Å²	57	99.9 Å²	99.9	30%	0.298	55%	0.546	S	S	.	.			trans	-118	132.8	178	-73.7	164	0	0	0	110.3	V288 V289 P302	V288-L312 HydrophobicContact CB-CD1 4.28Å; V288-L312 HydrophobicContact CG1-CD1 3.72Å; V289-L312 HydrophobicContact CG2-CD1 4.47Å; V289-L312 HydrophobicContact CG2-CD2 3.73Å; P302-L312 HydrophobicContact CB-CD2 3.98Å; P302-L312 HydrophobicContact CG-CD2 3.77Å
313	G	37.5	Very low	35.5	Very low	29 Å²	29	102.9 Å²	102.9	30%	0.299	57%	0.568	S	S	.	*			trans	-106.3	131.7	169.8	0	0	0	0	0	111.3	S299 K300	S299-G313 CarbonylContact C-O 3.59Å; S299-G313 WeakPolarHBondContact CA-O 3.37Å; K300-G313 PolarHBondContact N-O 2.72Å
314	L	28.5	Very low	34.1	Very low	96 Å²	96	103.6 Å²	103.6	50%	0.503	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.6	134.2	180	-79.8	162.7	0	0	0	111.7	L292 L297	L292-L314 HydrophobicContact CB-CD2 4.37Å; L292-L314 HydrophobicContact CD1-CD2 3.67Å; L292-L314 HydrophobicContact CD1-CG 4.4Å; L292-L314 HydrophobicContact CD2-CD1 4.32Å; L292-L314 HydrophobicContact CD2-CD2 3.66Å; L292-L314 HydrophobicContact CG-CD2 4.06Å; L297-L314 HydrophobicContact CB-CD2 4.02Å
315	K	30	Very low	33.1	Very low	129 Å²	129	104.1 Å²	104.1	56%	0.561	59%	0.591	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.3	114.7	170.1	-162.4	173	-177.6	178	0	109.9	T298 W317	T298-K315 PolarHBondContact O-N 2.71Å; T298-K315 VanDerWaalsContact O-N 3.09Å; K315-W317 HydrophobicContact CD-CZ2 4.49Å
316	I	28.8	Very low	31.7	Very low	135 Å²	135	105.7 Å²	105.7	69%	0.692	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-98.2	121.5	-177.5	-54.1	172.6	0	0	0	108.3	L297	L297-I316 HydrophobicContact CD2-CG1 4.3Å
317	W	27.5	Very low	31.3	Very low	190 Å²	190	110.9 Å²	110.9	72%	0.72	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-101.3	122.3	169.7	-67.1	96.9	0	0	0	109.6	K315	K315-W317 HydrophobicContact CD-CZ2 4.49Å
318	G	25.9	Very low	30.5	Very low	68 Å²	68	116.9 Å²	116.9	70%	0.701	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-76.9	129.9	163	0	0	0	0	0	109.3	A320	G318-A320 VanDerWaalsContact C-N 3.26Å; G318-A320 PolarHBondContact O-N 3.11Å
319	R	25.4	Very low	29.9	Very low	242 Å²	242	127 Å²	127	91%	0.913	66%	0.655	S	S	*	*			trans	-74	86.1	172.4	-164.6	177.6	-170.2	-179.2	2.4	108.7	Q321	R319-Q321 PolarHBondContact O-N 3.03Å
320	A	26	Very low	29.9	Very low	83 Å²	83	129.3 Å²	129.3	69%	0.686	68%	0.681	S	S	*	*			trans	-72.1	115.5	164.6	0	0	0	0	0	108.7	G318	G318-A320 VanDerWaalsContact C-N 3.26Å; G318-A320 PolarHBondContact O-N 3.11Å
321	Q	28.3	Very low	30.3	Very low	176 Å²	176	131.2 Å²	131.2	82%	0.822	71%	0.707	S	S	*	*	S	Bend	trans	-107.8	121	134.3	-76.5	-172.5	-10.2	0	0	105.9	R319	R319-Q321 PolarHBondContact O-N 3.03Å
322	S	26.8	Very low	30	Very low	116 Å²	116	135.8 Å²	135.8	81%	0.811	72%	0.715	S	S	*	*	S	Bend	trans	69.9	126.2	-178.1	-79	0	0	0	0	118
323	S	26.7	Very low	30.1	Very low	104 Å²	104	144 Å²	144	73%	0.727	74%	0.743	S	S	*	*	S	Bend	trans	-48	146.5	175	48.1	0	0	0	0	115.1
324	S	25.4	Very low	29.9	Very low	109 Å²	109	146.7 Å²	146.7	76%	0.762	75%	0.75	S	S	*	*			trans	58.9	89	160.1	66.9	0	0	0	0	117.2
325	L	24.1	Very low	30.7	Very low	163 Å²	163	144.2 Å²	144.2	85%	0.853	74%	0.744	S	S	*	*				-173.5	106	123.6	-99	160.5	0	0	0	108.8	Q327	L325-Q327 PolarHBondContact O-N 3.05Å
326	V	26.4	Very low	31.1	Very low	142 Å²	142	148.4 Å²	148.4	86%	0.861	76%	0.756	S	S	*	*			trans	-62.5	100.7	165.2	176.2	0	0	0	0	106.5	R328	V326-R328 PolarHBondContact O-N 3.05Å
327	Q	31.3	Very low	32.2	Very low	162 Å²	162	147.9 Å²	147.9	76%	0.757	75%	0.753	S	S	*	*			trans	-71.5	107.6	176.1	-83.7	-164.9	-6.2	0	0	109.8	L325 W329	L325-Q327 PolarHBondContact O-N 3.05Å; Q327-W329 PolarHBondContact O-N 3.16Å
328	R	28.6	Very low	33.5	Very low	236 Å²	236	143.2 Å²	143.2	89%	0.891	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-64.7	119.9	173.1	-153.5	159.4	67	162	3.8	108.3	V326 G330	V326-R328 PolarHBondContact O-N 3.05Å; R328-G330 PolarHBondContact O-N 2.66Å
329	W	31.3	Very low	35.6	Very low	243 Å²	243	142.9 Å²	142.9	92%	0.92	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-59.4	134.8	174.6	-72	39.3	0	0	0	109.1	Q327	Q327-W329 PolarHBondContact O-N 3.16Å
330	G	36.8	Very low	37.8	Very low	67 Å²	67	136 Å²	136	69%	0.691	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-60.1	146.6	-177.5	0	0	0	0	0	112.9	R328 R332	R328-G330 PolarHBondContact O-N 2.66Å; G330-R332 PolarHBondContact O-N 3.34Å
331	S	46.4	Very low	39.7	Very low	127 Å²	127	134.3 Å²	134.3	89%	0.888	71%	0.709	S	S	*	*	S	Bend	trans	-80.3	6.3	-164.2	41.4	0	0	0	0	117
332	R	33	Very low	41	Very low	177 Å²	177	128.9 Å²	128.9	67%	0.668	69%	0.685	S	S	*	*	S	Bend	trans	-146.2	147.5	173	-78.1	178.7	68	127.2	-3.4	111.8	G330 D334 A335	G330-R332 PolarHBondContact O-N 3.34Å; R332-D334 VanDerWaalsContact C-N 3.3Å; R332-D334 IonicContact NH2-OD2 2.79Å; R332-D334 PolarHBondContact O-N 3.29Å; R332-A335 HydrophobicContact CB-CB 4.43Å; R332-A335 WeakPolarHBondContact O-CB 3.36Å; R332-A335 PolarHBondContact O-N 2.86Å; R332-A335 VanDerWaalsContact O-N 3.09Å
333	W	37.6	Very low	42.6	Very low	230 Å²	230	128.5 Å²	128.5	87%	0.871	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-31.6	179.1	69.4	-69.8	0	0	0	113.9	A335	W333-A335 VanDerWaalsContact C-N 3.31Å
334	D	33.7	Very low	44.7	Very low	86 Å²	86	126 Å²	126	46%	0.46	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.5	-4.4	176	-48.7	-49.5	0	0	0	113.7	R332 R336	R332-D334 VanDerWaalsContact C-N 3.3Å; R332-D334 IonicContact NH2-OD2 2.79Å; R332-D334 PolarHBondContact O-N 3.29Å; D334-R336 PolarHBondContact O-N 3.04Å
335	A	44.6	Very low	46.3	Very low	44 Å²	44	126.3 Å²	126.3	36%	0.364	64%	0.644	S	S	.	*	S	Bend	trans	-64.4	125.2	-175.7	0	0	0	0	0	108.9	R332 W333 I337	R332-A335 HydrophobicContact CB-CB 4.43Å; R332-A335 WeakPolarHBondContact O-CB 3.36Å; R332-A335 PolarHBondContact O-N 2.86Å; R332-A335 VanDerWaalsContact O-N 3.09Å; W333-A335 VanDerWaalsContact C-N 3.31Å; A335-I337 PolarHBondContact O-N 3.35Å
336	R	37.8	Very low	47.8	Very low	217 Å²	217	123.3 Å²	123.3	82%	0.819	63%	0.628	S	S	*	*			trans	-53.9	108.3	176.9	-175.2	176.4	-179.3	127	0.6	109.3	D334 S338	D334-R336 PolarHBondContact O-N 3.04Å; R336-S338 PolarHBondContact O-N 3.06Å; R336-S338 PolarHBondContact O-OG 3.38Å
337	I	52.5	Low	49.5	Very low	123 Å²	123	122.3 Å²	122.3	63%	0.631	61%	0.614	S	S	*	*			trans	-70.6	97.5	177.9	-53.8	173.7	0	0	0	107.1	A335 D339 L342	A335-I337 PolarHBondContact O-N 3.35Å; I337-D339 HydrophobicContact CG2-CB 4.02Å; I337-D339 PolarHBondContact O-N 2.89Å; I337-L342 HydrophobicContact CB-CD2 4.24Å; I337-L342 HydrophobicContact CD1-CD2 4.26Å; I337-L342 HydrophobicContact CG2-CD2 3.61Å
338	S	54.4	Low	51	Low	92 Å²	92	120 Å²	120	64%	0.643	60%	0.604	S	S	*	*			trans	-94.5	56.1	178	-52.2	0	0	0	0	108.8	R336	R336-S338 PolarHBondContact O-N 3.06Å; R336-S338 PolarHBondContact O-OG 3.38Å
339	D	70.9	Confident	52.1	Low	62 Å²	62	112.3 Å²	112.3	33%	0.332	58%	0.579	S	S	.	*			trans	-97.8	112	173.1	176.5	51	0	0	0	109	I337 G341 L342 E343	I337-D339 HydrophobicContact CG2-CB 4.02Å; I337-D339 PolarHBondContact O-N 2.89Å; D339-G341 PolarHBondContact O-N 3.35Å; D339-G341 PolarHBondContact OD2-N 2.85Å; D339-L342 HydrophobicContact CB-CB 3.96Å; D339-L342 PolarHBondContact O-N 3.35Å; D339-L342 VanDerWaalsContact OD2-CB 3.28Å; D339-L342 WeakPolarHBondContact OD2-CB 3.42Å; D339-L342 PolarHBondContact OD2-N 3.47Å; D339-E343 WeakPolarHBondContact O-CB 3.27Å; D339-E343 PolarHBondContact O-N 3.05Å
340	P	70.4	Confident	53.1	Low	97 Å²	97	103.5 Å²	103.5	63%	0.63	56%	0.555	S	S	*	*	H	α-helix	trans	-58.9	-30	-179.2	-23.7	33.2	0	0	0	113.1	A344	P340-A344 VanDerWaalsContact O-CB 3.24Å; P340-A344 WeakPolarHBondContact O-CB 3.16Å; P340-A344 PolarHBondContact O-N 2.9Å
341	G	67.4	Low	54.5	Low	47 Å²	47	104.7 Å²	104.7	49%	0.485	55%	0.549	S	S	.	.	H	α-helix	trans	-68.6	-47.7	177.5	0	0	0	0	0	112.4	D339 A344 F345	D339-G341 PolarHBondContact O-N 3.35Å; D339-G341 PolarHBondContact OD2-N 2.85Å; G341-A344 PolarHBondContact O-N 3.4Å; G341-F345 WeakPolarHBondContact O-CB 3.49Å; G341-F345 PolarHBondContact O-N 2.74Å
342	L	56	Low	54.7	Low	63 Å²	63	106.7 Å²	106.7	33%	0.33	54%	0.537	S	S	.	.	H	α-helix	trans	-65.2	-42	174.9	-176.9	66.1	0	0	0	111.5	I337 D339 F345 L346	I337-L342 HydrophobicContact CB-CD2 4.24Å; I337-L342 HydrophobicContact CD1-CD2 4.26Å; I337-L342 HydrophobicContact CG2-CD2 3.61Å; D339-L342 HydrophobicContact CB-CB 3.96Å; D339-L342 PolarHBondContact O-N 3.35Å; D339-L342 VanDerWaalsContact OD2-CB 3.28Å; D339-L342 WeakPolarHBondContact OD2-CB 3.42Å; D339-L342 PolarHBondContact OD2-N 3.47Å; L342-F345 PolarHBondContact O-N 3.42Å; L342-L346 HydrophobicContact CD1-CG 4.38Å; L342-L346 HydrophobicContact CG-CD1 4.06Å; L342-L346 HydrophobicContact CG-CG 4.34Å; L342-L346 WeakPolarHBondContact O-CB 3.46Å; L342-L346 VanDerWaalsContact O-CG 3.3Å; L342-L346 WeakPolarHBondContact O-CG 3.32Å; L342-L346 PolarHBondContact O-N 3.35Å
343	E	59.9	Low	55.4	Low	107 Å²	107	102.6 Å²	102.6	50%	0.5	53%	0.531	S	S	.	.	H	α-helix	trans	-61.7	-46.8	176.5	-168.6	168.5	-159.1	0	0	110.4	D339 F345 L346 Q347	D339-E343 WeakPolarHBondContact O-CB 3.27Å; D339-E343 PolarHBondContact O-N 3.05Å; E343-F345 VanDerWaalsContact C-N 3.3Å; E343-F345 PolarHBondContact O-N 3Å; E343-L346 PolarHBondContact O-N 3.35Å; E343-Q347 VanDerWaalsContact O-CB 3.24Å; E343-Q347 WeakPolarHBondContact O-CB 3.49Å; E343-Q347 PolarHBondContact O-N 3.32Å
344	A	69.7	Low	56.2	Low	51 Å²	51	97 Å²	97	42%	0.421	51%	0.514	S	S	.	.	H	α-helix	trans	-60.2	-38.2	173.9	0	0	0	0	0	112.7	P340 G341 Q347 Q348	P340-A344 VanDerWaalsContact O-CB 3.24Å; P340-A344 WeakPolarHBondContact O-CB 3.16Å; P340-A344 PolarHBondContact O-N 2.9Å; G341-A344 PolarHBondContact O-N 3.4Å; A344-Q347 PolarHBondContact O-N 2.93Å; A344-Q348 WeakPolarHBondContact O-CG 3.19Å; A344-Q348 PolarHBondContact O-N 3.42Å
345	F	59.6	Low	57.3	Low	116 Å²	116	96 Å²	96	51%	0.509	52%	0.518	S	S	.	.	H	α-helix	trans	-68.1	-45.1	176	-179.7	-109.1	0	0	0	112.5	G341 L342 E343 Q347 Q348 I349	G341-F345 WeakPolarHBondContact O-CB 3.49Å; G341-F345 PolarHBondContact O-N 2.74Å; L342-F345 PolarHBondContact O-N 3.42Å; E343-F345 VanDerWaalsContact C-N 3.3Å; E343-F345 PolarHBondContact O-N 3Å; F345-Q347 VanDerWaalsContact C-N 3.27Å; F345-Q347 PolarHBondContact O-N 3.3Å; F345-Q348 WeakPolarHBondContact O-CB 3.28Å; F345-Q348 PolarHBondContact O-N 2.87Å; F345-I349 HydrophobicContact CD1-CD1 3.84Å; F345-I349 HydrophobicContact CE1-CD1 3.36Å; F345-I349 HydrophobicContact CE1-CG1 4.31Å; F345-I349 HydrophobicContact CE2-CD1 4.42Å; F345-I349 HydrophobicContact CZ-CD1 3.69Å; F345-I349 HydrophobicContact CZ-CG1 4.3Å; F345-I349 WeakPolarHBondContact O-CG1 3.43Å; F345-I349 PolarHBondContact O-N 2.94Å
346	L	55.5	Low	57.1	Low	101 Å²	101	99.7 Å²	99.7	53%	0.529	53%	0.528	S	S	.	.	H	α-helix	trans	-62.5	-37	174.4	-72.3	172.5	0	0	0	111.1	L342 E343 I349 S350	L342-L346 HydrophobicContact CD1-CG 4.38Å; L342-L346 HydrophobicContact CG-CD1 4.06Å; L342-L346 HydrophobicContact CG-CG 4.34Å; L342-L346 WeakPolarHBondContact O-CB 3.46Å; L342-L346 VanDerWaalsContact O-CG 3.3Å; L342-L346 WeakPolarHBondContact O-CG 3.32Å; L342-L346 PolarHBondContact O-N 3.35Å; E343-L346 PolarHBondContact O-N 3.35Å; L346-I349 PolarHBondContact O-N 3.27Å; L346-S350 WeakPolarHBondContact O-CB 3.48Å; L346-S350 PolarHBondContact O-N 3.02Å
347	Q	63.3	Low	57.4	Low	121 Å²	121	92.7 Å²	92.7	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-70	-38.5	176.1	-152.2	146.3	9.4	0	0	111.3	E343 A344 F345 S350 V351	E343-Q347 VanDerWaalsContact O-CB 3.24Å; E343-Q347 WeakPolarHBondContact O-CB 3.49Å; E343-Q347 PolarHBondContact O-N 3.32Å; A344-Q347 PolarHBondContact O-N 2.93Å; F345-Q347 VanDerWaalsContact C-N 3.27Å; F345-Q347 PolarHBondContact O-N 3.3Å; Q347-S350 PolarHBondContact O-N 3.07Å; Q347-V351 WeakPolarHBondContact O-CB 3.23Å; Q347-V351 VanDerWaalsContact O-CG2 3.23Å; Q347-V351 WeakPolarHBondContact O-CG2 3.3Å; Q347-V351 PolarHBondContact O-N 2.75Å
348	Q	62	Low	56.7	Low	113 Å²	113	91.8 Å²	91.8	53%	0.528	51%	0.509	S	S	.	.	H	α-helix	trans	-61.5	-42.2	169	-83.5	-173.4	20.7	0	0	112.5	A344 F345 V351 R352	A344-Q348 WeakPolarHBondContact O-CG 3.19Å; A344-Q348 PolarHBondContact O-N 3.42Å; F345-Q348 WeakPolarHBondContact O-CB 3.28Å; F345-Q348 PolarHBondContact O-N 2.87Å; Q348-V351 PolarHBondContact O-N 3.32Å; Q348-R352 WeakPolarHBondContact O-CB 3.3Å; Q348-R352 WeakPolarHBondContact O-CG 3.32Å; Q348-R352 PolarHBondContact O-N 3.47Å
349	I	51	Low	56	Low	74 Å²	74	88.6 Å²	88.6	38%	0.379	49%	0.488	S	S	.	.	H	α-helix	trans	-62.1	-49.2	174.6	-70.1	171.7	0	0	0	109.7	F345 L346 V351 R352 V353	F345-I349 HydrophobicContact CD1-CD1 3.84Å; F345-I349 HydrophobicContact CE1-CD1 3.36Å; F345-I349 HydrophobicContact CE1-CG1 4.31Å; F345-I349 HydrophobicContact CE2-CD1 4.42Å; F345-I349 HydrophobicContact CZ-CD1 3.69Å; F345-I349 HydrophobicContact CZ-CG1 4.3Å; F345-I349 WeakPolarHBondContact O-CG1 3.43Å; F345-I349 PolarHBondContact O-N 2.94Å; L346-I349 PolarHBondContact O-N 3.27Å; I349-V351 VanDerWaalsContact C-N 3.33Å; I349-V351 PolarHBondContact O-N 3.33Å; I349-R352 CarbonylContact O-C 3.45Å; I349-R352 PolarHBondContact O-N 3.12Å; I349-R352 VanDerWaalsContact O-N 3.12Å; I349-V353 HydrophobicContact CG2-CG2 4.01Å; I349-V353 WeakPolarHBondContact O-CB 3.16Å; I349-V353 VanDerWaalsContact O-CG2 3.27Å; I349-V353 WeakPolarHBondContact O-CG2 3.45Å; I349-V353 PolarHBondContact O-N 3.09Å
350	S	53.1	Low	54.3	Low	58 Å²	58	93.8 Å²	93.8	41%	0.406	50%	0.503	S	S	.	.	H	α-helix	trans	-57.7	-44.5	178.9	-179.9	0	0	0	0	112	L346 Q347 H354	L346-S350 WeakPolarHBondContact O-CB 3.48Å; L346-S350 PolarHBondContact O-N 3.02Å; Q347-S350 PolarHBondContact O-N 3.07Å; S350-H354 WeakPolarHBondContact O-CB 3.48Å; S350-H354 PolarHBondContact O-N 3.38Å; S350-H354 PolarHBondContact O-ND1 2.83Å; S350-H354 VanDerWaalsContact O-ND1 3.11Å
351	V	65.7	Low	53.1	Low	93 Å²	93	91 Å²	91	56%	0.564	49%	0.491	S	S	*	.	H	α-helix	trans	-63.5	-44.5	174.5	169.6	0	0	0	0	111.1	Q347 Q348 I349 H354 A355	Q347-V351 WeakPolarHBondContact O-CB 3.23Å; Q347-V351 VanDerWaalsContact O-CG2 3.23Å; Q347-V351 WeakPolarHBondContact O-CG2 3.3Å; Q347-V351 PolarHBondContact O-N 2.75Å; Q348-V351 PolarHBondContact O-N 3.32Å; I349-V351 VanDerWaalsContact C-N 3.33Å; I349-V351 PolarHBondContact O-N 3.33Å; V351-H354 PolarHBondContact O-N 3.13Å; V351-A355 WeakPolarHBondContact O-CB 3.44Å; V351-A355 PolarHBondContact O-N 3.48Å
352	R	51.1	Low	51.7	Low	168 Å²	168	98.3 Å²	98.3	63%	0.634	50%	0.504	S	S	*	.	H	α-helix	trans	-66.1	-41.6	178.4	-83.1	-177.6	169	-179.8	-2.5	112.6	Q348 I349 A355 Q356	Q348-R352 WeakPolarHBondContact O-CB 3.3Å; Q348-R352 WeakPolarHBondContact O-CG 3.32Å; Q348-R352 PolarHBondContact O-N 3.47Å; I349-R352 CarbonylContact O-C 3.45Å; I349-R352 PolarHBondContact O-N 3.12Å; I349-R352 VanDerWaalsContact O-N 3.12Å; R352-A355 PolarHBondContact O-N 2.83Å; R352-Q356 VanDerWaalsContact O-CB 3.32Å; R352-Q356 WeakPolarHBondContact O-CB 3.23Å; R352-Q356 WeakPolarHBondContact O-CG 3.45Å; R352-Q356 PolarHBondContact O-N 3.27Å
353	V	48.1	Very low	51.4	Low	91 Å²	91	97.3 Å²	97.3	55%	0.552	50%	0.496	S	S	*	.	H	α-helix	trans	-63.9	-42.6	175.3	171.5	0	0	0	0	109.9	I349 D357	I349-V353 HydrophobicContact CG2-CG2 4.01Å; I349-V353 WeakPolarHBondContact O-CB 3.16Å; I349-V353 VanDerWaalsContact O-CG2 3.27Å; I349-V353 WeakPolarHBondContact O-CG2 3.45Å; I349-V353 PolarHBondContact O-N 3.09Å; V353-D357 WeakPolarHBondContact O-CA 3.37Å; V353-D357 WeakPolarHBondContact O-CB 3.22Å; V353-D357 PolarHBondContact O-N 2.85Å
354	H	52.9	Low	51	Low	112 Å²	112	98.4 Å²	98.4	52%	0.519	51%	0.506	S	S	.	.	H	α-helix	trans	-67.1	-33.8	173.7	-89.3	83.9	0	0	0	113.6	S350 V351 R360	S350-H354 WeakPolarHBondContact O-CB 3.48Å; S350-H354 PolarHBondContact O-N 3.38Å; S350-H354 PolarHBondContact O-ND1 2.83Å; S350-H354 VanDerWaalsContact O-ND1 3.11Å; V351-H354 PolarHBondContact O-N 3.13Å; H354-R360 PolarHBondContact O-NE 3.16Å; H354-R360 PolarHBondContact O-NH2 3.13Å
355	A	56.9	Low	50.4	Low	65 Å²	65	97 Å²	97	54%	0.537	49%	0.492	S	S	.	.	H	α-helix	trans	-77.2	-34.8	179.9	0	0	0	0	0	112.3	V351 R352	V351-A355 WeakPolarHBondContact O-CB 3.44Å; V351-A355 PolarHBondContact O-N 3.48Å; R352-A355 PolarHBondContact O-N 2.83Å
356	Q	40.8	Very low	50.6	Low	122 Å²	122	94.2 Å²	94.2	57%	0.57	49%	0.487	S	S	*	.	S	Bend	trans	-99.3	12.1	178.8	-62.8	-172	-8.3	0	0	112.9	R352 P358	R352-Q356 VanDerWaalsContact O-CB 3.32Å; R352-Q356 WeakPolarHBondContact O-CB 3.23Å; R352-Q356 WeakPolarHBondContact O-CG 3.45Å; R352-Q356 PolarHBondContact O-N 3.27Å; Q356-P358 WeakPolarHBondContact O-CD 3.5Å
357	D	44.2	Very low	51.2	Low	70 Å²	70	90.7 Å²	90.7	37%	0.374	48%	0.475	S	S	.	.			trans	-56.3	110.4	173.8	-179.8	1.7	0	0	0	108.6	V353 A359 R360	V353-D357 WeakPolarHBondContact O-CA 3.37Å; V353-D357 WeakPolarHBondContact O-CB 3.22Å; V353-D357 PolarHBondContact O-N 2.85Å; D357-A359 PolarHBondContact O-N 3.1Å; D357-A359 WeakPolarHBondContact OD1-CB 3.41Å; D357-A359 PolarHBondContact OD1-N 3.28Å; D357-R360 PolarHBondContact O-N 2.92Å
358	P	37.2	Very low	51.6	Low	105 Å²	105	88.5 Å²	88.5	68%	0.682	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-64.9	-8	-176.4	26.8	-32.9	0	0	0	112.4	Q356 R360	Q356-P358 WeakPolarHBondContact O-CD 3.5Å; P358-R360 PolarHBondContact O-N 3.1Å
359	A	40	Very low	52.1	Low	24 Å²	24	85 Å²	85	20%	0.198	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-78.7	6.4	176.4	0	0	0	0	0	114.2	D357 R423	D357-A359 PolarHBondContact O-N 3.1Å; D357-A359 WeakPolarHBondContact OD1-CB 3.41Å; D357-A359 PolarHBondContact OD1-N 3.28Å; A359-R423 PolarHBondContact O-NE 3.09Å; A359-R423 PolarHBondContact O-NH1 2.81Å; A359-R423 VanDerWaalsContact O-NH1 3.12Å
360	R	35.4	Very low	53.3	Low	171 Å²	171	81.5 Å²	81.5	65%	0.645	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-91.3	11.9	-178.6	-75.8	-169.8	174.1	-162.2	0.5	117	H354 D357 P358	H354-R360 PolarHBondContact O-NE 3.16Å; H354-R360 PolarHBondContact O-NH2 3.13Å; D357-R360 PolarHBondContact O-N 2.92Å; P358-R360 PolarHBondContact O-N 3.1Å
361	G	45	Very low	54.5	Low	38 Å²	38	81.6 Å²	81.6	39%	0.392	43%	0.427	S	S	.	.			trans	-72.9	141.1	171.7	0	0	0	0	0	112.7	W363	G361-W363 PolarHBondContact O-N 3.41Å
362	R	39	Very low	55	Low	201 Å²	201	78.9 Å²	78.9	76%	0.758	41%	0.412	S	S	*	.			trans	-75.2	108.6	159.9	-177.2	179.1	174.6	-165.9	-5.7	106.7	D364	R362-D364 PolarHBondContact O-N 2.94Å
363	W	48.7	Very low	56.4	Low	42 Å²	42	73.3 Å²	73.3	16%	0.159	39%	0.391	C	S	.	.			trans	-88.8	102.8	178.9	-64.7	78.4	0	0	0	108	G361 V365 T424 C544	G361-W363 PolarHBondContact O-N 3.41Å; W363-V365 VanDerWaalsContact C-N 3.35Å; W363-V365 HydrophobicContact CB-CG2 4.31Å; W363-V365 PolarHBondContact O-N 2.86Å; W363-T424 HydrophobicContact CB-CG2 4.36Å; W363-C544 HydrophobicContact CE3-CB 3.64Å; W363-C544 HydrophobicContact CZ3-CB 3.93Å
364	D	51	Low	57.6	Low	130 Å²	130	70.6 Å²	70.6	70%	0.695	37%	0.374	S	S	*	.			trans	-78.5	89.9	172.4	-117.2	10.5	0	0	0	108.1	R362	R362-D364 PolarHBondContact O-N 2.94Å
365	V	58.9	Low	58.5	Low	22 Å²	22	67.5 Å²	67.5	13%	0.133	36%	0.361	C	S	.	.			trans	-91.9	124.2	172.7	-176	0	0	0	0	108.4	W363 G367 V387 V392 T424	W363-V365 VanDerWaalsContact C-N 3.35Å; W363-V365 HydrophobicContact CB-CG2 4.31Å; W363-V365 PolarHBondContact O-N 2.86Å; V365-G367 PolarHBondContact O-N 3.23Å; V365-V387 HydrophobicContact CG1-CB 3.89Å; V365-V387 HydrophobicContact CG1-CG1 3.5Å; V365-V387 HydrophobicContact CG1-CG2 4.07Å; V365-V392 HydrophobicContact CG1-CG1 4.3Å; V365-T424 HydrophobicContact CB-CG2 3.92Å; V365-T424 HydrophobicContact CG2-CG2 3.3Å
366	S	63.9	Low	58.7	Low	58 Å²	58	65.4 Å²	65.4	41%	0.406	34%	0.341	S	S	.	.			trans	-73.5	118.7	178.1	68.7	0	0	0	0	110.4	K388	S366-K388 WeakPolarHBondContact O-CE 2.9Å; S366-K388 PolarHBondContact O-NZ 3.15Å; S366-K388 PolarHBondContact OG-NZ 2.91Å
367	G	67.2	Low	59.6	Low	27 Å²	27	60.6 Å²	60.6	28%	0.278	32%	0.321	S	S	.	.	S	Bend	trans	141.9	168.6	177	0	0	0	0	0	111.8	V365 F425	V365-G367 PolarHBondContact O-N 3.23Å; G367-F425 WeakPolarHBondContact O-CE1 3.42Å
368	N	71.7	Confident	60.1	Low	74 Å²	74	61.9 Å²	61.9	40%	0.396	34%	0.335	S	S	.	.	S	Bend	trans	-117.8	9.5	176.7	-76.8	0.2	0	0	0	110.2	N600 F601 G603	N368-N600 CarbonylContact O-C 3.5Å; N368-N600 VanDerWaalsContact O-CA 3.28Å; N368-N600 WeakPolarHBondContact O-CA 3.23Å; N368-F601 WeakPolarHBondContact CB-O 3.31Å; N368-F601 PolarHBondContact ND2-O 3.18Å; N368-F601 WeakPolarHBondContact O-CD2 3.43Å; N368-F601 PolarHBondContact O-N 3.12Å; N368-G603 WeakPolarHBondContact ND2-CA 3.38Å; N368-G603 PolarHBondContact ND2-N 2.81Å; N368-G603 VanDerWaalsContact ND2-N 3.12Å; N368-G603 VanDerWaalsContact OD1-CA 3.29Å; N368-G603 WeakPolarHBondContact OD1-CA 3.46Å
369	T	72.1	Confident	60.8	Low	40 Å²	40	60.5 Å²	60.5	25%	0.245	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.9	-174.3	44	0	0	0	0	110.5	V387 F598 V599 N600	T369-V387 WeakPolarHBondContact O-CG1 3.4Å; T369-F598 HydrophobicContact CG2-CB 4.23Å; T369-F598 HydrophobicContact CG2-CD1 4.28Å; T369-V599 VanDerWaalsContact CA-O 3.29Å; T369-V599 WeakPolarHBondContact CA-O 3.47Å; T369-N600 WeakPolarHBondContact CG2-OD1 3.32Å
370	A	77.1	Confident	61.7	Low	1 Å²	1	59.6 Å²	59.6	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	154.5	166	0	0	0	0	0	112.2	L385 E386 V387 F425 V599 F601	A370-L385 HydrophobicContact CB-CD1 3.76Å; A370-L385 HydrophobicContact CB-CG 4.44Å; A370-E386 CarbonylContact C-O 3.52Å; A370-E386 WeakPolarHBondContact CA-O 3.33Å; A370-V387 HydrophobicContact CB-CG2 3.72Å; A370-F425 HydrophobicContact CB-CE2 3.53Å; A370-F425 HydrophobicContact CB-CZ 3.84Å; A370-V599 PolarHBondContact N-O 3.26Å; A370-V599 VanDerWaalsContact N-O 3.15Å; A370-V599 WeakPolarHBondContact O-CB 3.36Å; A370-V599 PolarHBondContact O-N 3.47Å; A370-V599 VanDerWaalsContact O-N 3.07Å; A370-F601 HydrophobicContact CB-CE2 3.94Å
371	R	77.4	Confident	63	Low	60 Å²	60	51.8 Å²	51.8	23%	0.226	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	94	177.4	-67.8	178.3	177	-166.2	-7.8	107.9	W373 E386 D596	R371-W373 PolarHBondContact O-N 3.33Å; R371-E386 HydrophobicContact CB-CB 4.12Å; R371-E386 HydrophobicContact CB-CG 4.46Å; R371-E386 PolarHBondContact N-O 3.33Å; R371-E386 PolarHBondContact O-N 3.49Å; R371-D596 IonicContact CZ-OD2 2.86Å; R371-D596 IonicContact NH1-OD2 3.88Å; R371-D596 PolarHBondContact NH1-OD2 2.81Å; R371-D596 IonicContact NH2-OD2 3.67Å; R371-D596 PolarHBondContact NH2-OD2 3.36Å
372	P	77.2	Confident	64	Low	36 Å²	36	50 Å²	50	23%	0.234	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	111.8	170	29.7	-30	0	0	0	109.1	L385 V599	P372-L385 HydrophobicContact CB-CD1 4.12Å; P372-V599 HydrophobicContact CG-CG2 4.39Å
373	W	78.8	Confident	65.6	Low	51 Å²	51	40.5 Å²	40.5	19%	0.193	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	138.1	164.9	-56.3	84.9	0	0	0	108.6	R371 V383 V384 E386 A463 S467 K469 V470	R371-W373 PolarHBondContact O-N 3.33Å; W373-V383 CarbonylContact O-C 3.39Å; W373-V383 VanDerWaalsContact O-CA 3.3Å; W373-V383 WeakPolarHBondContact O-CA 3.18Å; W373-V384 HydrophobicContact CB-CB 4.16Å; W373-V384 PolarHBondContact N-O 3.42Å; W373-V384 PolarHBondContact O-N 3.28Å; W373-E386 PolarHBondContact NE1-OE2 3.11Å; W373-A463 HydrophobicContact CZ3-CB 3.96Å; W373-S467 WeakPolarHBondContact CZ3-O 3.27Å; W373-K469 HydrophobicContact CB-CB 4.43Å; W373-K469 HydrophobicContact CD2-CB 4.21Å; W373-K469 HydrophobicContact CD2-CG 4.14Å; W373-K469 HydrophobicContact CG-CB 4Å; W373-K469 HydrophobicContact CG-CG 4.34Å; W373-K469 HydrophobicContact CZ2-CD 4.42Å; W373-K469 HydrophobicContact CZ2-CG 4.39Å; W373-V470 HydrophobicContact CB-CG2 3.61Å; W373-V470 VanDerWaalsContact O-CG2 3.23Å; W373-V470 WeakPolarHBondContact O-CG2 3.32Å
374	V	75.2	Confident	66.8	Low	34 Å²	34	38.6 Å²	38.6	21%	0.206	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	135.6	-175.2	-178.3	0	0	0	0	107.5	G382 V383 A413 V414 N468	V374-G382 WeakPolarHBondContact CA-O 3.43Å; V374-V383 HydrophobicContact CG1-CG2 4.49Å; V374-V383 HydrophobicContact CG2-CG2 4.3Å; V374-A413 HydrophobicContact CG1-CB 3.11Å; V374-A413 WeakPolarHBondContact CG1-O 3.43Å; V374-V414 HydrophobicContact CG1-CG2 4.26Å; V374-N468 PolarHBondContact O-ND2 3.34Å; V374-N468 VanDerWaalsContact O-ND2 3.16Å
375	D	70.2	Confident	68	Low	46 Å²	46	32.4 Å²	32.4	25%	0.246	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	164.1	169.4	-165.9	28.6	0	0	0	111.3	G382 N468 V470 D471 L474	D375-G382 PolarHBondContact N-O 2.93Å; D375-G382 PolarHBondContact O-N 3.18Å; D375-N468 WeakPolarHBondContact CB-ND2 3.43Å; D375-V470 HydrophobicContact CB-CB 3.71Å; D375-V470 HydrophobicContact CB-CG1 3.61Å; D375-D471 VanDerWaalsContact OD2-OD1 3.1Å; D375-L474 HydrophobicContact CB-CD1 3.55Å; D375-L474 WeakPolarHBondContact OD2-CD1 3.45Å
376	I	61.4	Low	68.9	Low	22 Å²	22	31.9 Å²	31.9	11%	0.113	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	133.6	176.4	-172.4	175.3	0	0	0	111.6	L381 A409 E410	I376-L381 HydrophobicContact CB-CD2 4.17Å; I376-L381 HydrophobicContact CD1-CD2 3.4Å; I376-L381 HydrophobicContact CD1-CG 4.47Å; I376-L381 HydrophobicContact CG1-CD2 3.68Å; I376-A409 HydrophobicContact CD1-CB 3.05Å; I376-E410 HydrophobicContact CG2-CG 3.54Å
377	S	59.9	Low	69.7	Low	21 Å²	21	29.3 Å²	29.3	15%	0.147	17%	0.169	C	C	.	.			trans	-100.1	172.8	165.2	70.2	0	0	0	0	111.3	L379 A380	S377-L379 PolarHBondContact O-N 3.46Å; S377-L379 PolarHBondContact OG-N 3.14Å; S377-A380 PolarHBondContact N-O 3.36Å; S377-A380 PolarHBondContact OG-N 3.24Å; S377-A380 PolarHBondContact OG-O 3.34Å; S377-A380 VanDerWaalsContact OG-O 3.09Å
378	S	54.7	Low	70.2	Confident	96 Å²	96	33.9 Å²	33.9	67%	0.671	18%	0.181	S	C	*	.	S	Bend	trans	-55.3	-23.6	170.8	52.8	0	0	0	0	113.5
379	L	52.8	Low	70.5	Confident	77 Å²	77	34.1 Å²	34.1	40%	0.403	19%	0.193	S	C	.	.	S	Bend	trans	-114.2	-22.2	-171.2	-64.4	175.4	0	0	0	114.9	S377 R399 A481	S377-L379 PolarHBondContact O-N 3.46Å; S377-L379 PolarHBondContact OG-N 3.14Å; L379-R399 WeakPolarHBondContact O-CB 3.03Å; L379-R399 PolarHBondContact O-N 3.3Å; L379-A481 HydrophobicContact CD1-CB 3.58Å
380	A	59	Low	70.5	Confident	4 Å²	4	36.3 Å²	36.3	3%	0.033	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	151.9	-167.1	0	0	0	0	0	112.4	S377 T396 W397 L474	S377-A380 PolarHBondContact N-O 3.36Å; S377-A380 PolarHBondContact OG-N 3.24Å; S377-A380 PolarHBondContact OG-O 3.34Å; S377-A380 VanDerWaalsContact OG-O 3.09Å; A380-T396 HydrophobicContact CB-CG2 3.92Å; A380-W397 CarbonylContact C-O 3.53Å; A380-W397 WeakPolarHBondContact CA-O 3.19Å; A380-W397 WeakPolarHBondContact CB-O 3.49Å; A380-L474 HydrophobicContact CB-CD2 3.83Å; A380-L474 WeakPolarHBondContact O-CD2 3.11Å
381	L	61.4	Low	70.4	Confident	8 Å²	8	39.9 Å²	39.9	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.6	172.7	-59	158	0	0	0	107.5	I376 T396 W397 A409 A413	I376-L381 HydrophobicContact CB-CD2 4.17Å; I376-L381 HydrophobicContact CD1-CD2 3.4Å; I376-L381 HydrophobicContact CD1-CG 4.47Å; I376-L381 HydrophobicContact CG1-CD2 3.68Å; L381-T396 CarbonylContact O-C 3.6Å; L381-T396 VanDerWaalsContact O-CA 3.28Å; L381-T396 WeakPolarHBondContact O-CA 3.5Å; L381-T396 VanDerWaalsContact O-CG2 3.23Å; L381-T396 WeakPolarHBondContact O-CG2 3.28Å; L381-W397 PolarHBondContact N-O 3.37Å; L381-W397 PolarHBondContact O-N 3.42Å; L381-A409 HydrophobicContact CD2-CB 4.28Å; L381-A409 WeakPolarHBondContact CD2-O 3.4Å; L381-A413 HydrophobicContact CB-CB 4.43Å; L381-A413 HydrophobicContact CD2-CB 3.71Å
382	G	65.7	Low	69.9	Low	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.2	176.9	0	0	0	0	0	111.6	V374 D375 A395 V470	V374-G382 WeakPolarHBondContact CA-O 3.43Å; D375-G382 PolarHBondContact N-O 2.93Å; D375-G382 PolarHBondContact O-N 3.18Å; G382-A395 CarbonylContact C-O 3.6Å; G382-A395 WeakPolarHBondContact CA-O 3.37Å; G382-V470 VanDerWaalsContact CA-CG1 3.43Å; G382-V470 WeakPolarHBondContact O-CG1 3.48Å
383	V	73	Confident	69.4	Low	1 Å²	1	37.9 Å²	37.9	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.4	175	174.3	0	0	0	0	109	W373 V374 D394 A395 W397 Q416 I420	W373-V383 CarbonylContact O-C 3.39Å; W373-V383 VanDerWaalsContact O-CA 3.3Å; W373-V383 WeakPolarHBondContact O-CA 3.18Å; V374-V383 HydrophobicContact CG1-CG2 4.49Å; V374-V383 HydrophobicContact CG2-CG2 4.3Å; V383-D394 CarbonylContact O-C 3.59Å; V383-D394 WeakPolarHBondContact O-CA 3.16Å; V383-A395 PolarHBondContact N-O 2.93Å; V383-A395 PolarHBondContact O-N 3.39Å; V383-W397 HydrophobicContact CB-CH2 4.48Å; V383-W397 HydrophobicContact CB-CZ3 4.01Å; V383-W397 HydrophobicContact CG2-CH2 4.41Å; V383-W397 HydrophobicContact CG2-CZ3 3.76Å; V383-Q416 HydrophobicContact CG2-CB 4.32Å; V383-I420 HydrophobicContact CB-CD1 4.09Å; V383-I420 HydrophobicContact CG1-CD1 3.73Å
384	V	74.3	Confident	68.9	Low	3 Å²	3	38.9 Å²	38.9	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	119	170.1	172.7	0	0	0	0	108.5	W373 V391 E393 D394 K469 V470	W373-V384 HydrophobicContact CB-CB 4.16Å; W373-V384 PolarHBondContact N-O 3.42Å; W373-V384 PolarHBondContact O-N 3.28Å; V384-V391 HydrophobicContact CG1-CB 4.27Å; V384-V391 HydrophobicContact CG1-CG1 3.64Å; V384-V391 HydrophobicContact CG1-CG2 3.67Å; V384-E393 CarbonylContact C-O 3.56Å; V384-E393 WeakPolarHBondContact CA-O 3.36Å; V384-D394 HydrophobicContact CG2-CB 3.95Å; V384-K469 HydrophobicContact CB-CB 4.39Å; V384-K469 HydrophobicContact CG1-CB 4.09Å; V384-V470 HydrophobicContact CB-CG2 4.02Å; V384-V470 HydrophobicContact CG2-CG2 3.93Å
385	L	76.1	Confident	68	Low	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.8	174	-171.7	70.2	0	0	0	110.1	A370 P372 V391 V392 E393 I420 A421 T424	A370-L385 HydrophobicContact CB-CD1 3.76Å; A370-L385 HydrophobicContact CB-CG 4.44Å; P372-L385 HydrophobicContact CB-CD1 4.12Å; L385-V391 WeakPolarHBondContact O-CA 3.16Å; L385-V392 HydrophobicContact CB-CG2 3.99Å; L385-V392 HydrophobicContact CD2-CG2 3.59Å; L385-V392 HydrophobicContact CG-CG2 3.69Å; L385-V392 VanDerWaalsContact O-CG2 3.28Å; L385-V392 WeakPolarHBondContact O-CG2 3.27Å; L385-V392 PolarHBondContact O-N 2.9Å; L385-E393 HydrophobicContact CB-CB 4.12Å; L385-E393 PolarHBondContact N-O 3.29Å; L385-E393 PolarHBondContact O-N 3.44Å; L385-I420 HydrophobicContact CB-CG2 3.91Å; L385-I420 HydrophobicContact CD2-CG2 3.82Å; L385-I420 HydrophobicContact CG-CG2 4.34Å; L385-A421 HydrophobicContact CD1-CB 3.68Å; L385-T424 HydrophobicContact CD2-CG2 3.84Å; L385-T424 WeakPolarHBondContact CD2-OG1 3.43Å
386	E	78.9	Confident	67.6	Low	10 Å²	10	38.3 Å²	38.3	5%	0.047	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.1	174.3	169.7	175.8	-157.1	0	0	111.6	A370 R371 W373 A389 N390 K469	A370-E386 CarbonylContact C-O 3.52Å; A370-E386 WeakPolarHBondContact CA-O 3.33Å; R371-E386 HydrophobicContact CB-CB 4.12Å; R371-E386 HydrophobicContact CB-CG 4.46Å; R371-E386 PolarHBondContact N-O 3.33Å; R371-E386 PolarHBondContact O-N 3.49Å; W373-E386 PolarHBondContact NE1-OE2 3.11Å; E386-A389 WeakPolarHBondContact OE1-CA 3Å; E386-N390 CarbonylContact C-O 3.57Å; E386-N390 VanDerWaalsContact CA-O 3.3Å; E386-N390 WeakPolarHBondContact CA-O 3.43Å; E386-K469 IonicContact OE1-NZ 2.9Å; E386-K469 PolarHBondContact OE1-NZ 3.1Å; E386-K469 WeakPolarHBondContact OE2-CE 3.28Å; E386-K469 IonicContact OE2-NZ 2.71Å; E386-K469 PolarHBondContact OE2-NZ 3.37Å
387	V	79.3	Confident	67.5	Low	5 Å²	5	42 Å²	42	3%	0.03	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.7	173.2	178.9	0	0	0	0	109	V365 T369 A370 A389 N390 V392 F425	V365-V387 HydrophobicContact CG1-CB 3.89Å; V365-V387 HydrophobicContact CG1-CG1 3.5Å; V365-V387 HydrophobicContact CG1-CG2 4.07Å; T369-V387 WeakPolarHBondContact O-CG1 3.4Å; A370-V387 HydrophobicContact CB-CG2 3.72Å; V387-A389 VanDerWaalsContact C-N 3.35Å; V387-A389 PolarHBondContact O-N 2.76Å; V387-N390 PolarHBondContact N-O 3.02Å; V387-N390 PolarHBondContact O-N 3.27Å; V387-V392 HydrophobicContact CB-CG1 3.9Å; V387-V392 HydrophobicContact CB-CG2 4.23Å; V387-V392 HydrophobicContact CG2-CG1 4.26Å; V387-V392 HydrophobicContact CG2-CG2 3.7Å; V387-F425 HydrophobicContact CG2-CZ 4.12Å
388	K	78.9	Confident	67.3	Low	123 Å²	123	48.3 Å²	48.3	54%	0.535	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	51.7	-178.2	-64.1	176.3	173.6	171.9	0	113.1	S366 N390	S366-K388 WeakPolarHBondContact O-CE 2.9Å; S366-K388 PolarHBondContact O-NZ 3.15Å; S366-K388 PolarHBondContact OG-NZ 2.91Å; K388-N390 PolarHBondContact O-N 3.31Å; K388-N390 VanDerWaalsContact O-N 3.11Å; K388-N390 PolarHBondContact O-ND2 3.4Å; K388-N390 VanDerWaalsContact O-ND2 3.1Å
389	A	77.7	Confident	67.4	Low	78 Å²	78	46.6 Å²	46.6	65%	0.645	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	3	-177.4	0	0	0	0	0	116.3	E386 V387	E386-A389 WeakPolarHBondContact OE1-CA 3Å; V387-A389 VanDerWaalsContact C-N 3.35Å; V387-A389 PolarHBondContact O-N 2.76Å
390	N	72.4	Confident	67.4	Low	86 Å²	86	46.3 Å²	46.3	46%	0.46	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.4	180	-62.7	-62.6	0	0	0	110.8	E386 V387 K388 V392	E386-N390 CarbonylContact C-O 3.57Å; E386-N390 VanDerWaalsContact CA-O 3.3Å; E386-N390 WeakPolarHBondContact CA-O 3.43Å; V387-N390 PolarHBondContact N-O 3.02Å; V387-N390 PolarHBondContact O-N 3.27Å; K388-N390 PolarHBondContact O-N 3.31Å; K388-N390 VanDerWaalsContact O-N 3.11Å; K388-N390 PolarHBondContact O-ND2 3.4Å; K388-N390 VanDerWaalsContact O-ND2 3.1Å; N390-V392 PolarHBondContact O-N 2.82Å
391	V	74.9	Confident	67.1	Low	77 Å²	77	53.9 Å²	53.9	47%	0.467	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	113.9	167.4	175.5	0	0	0	0	108.3	V384 L385 D394 K469	V384-V391 HydrophobicContact CG1-CB 4.27Å; V384-V391 HydrophobicContact CG1-CG1 3.64Å; V384-V391 HydrophobicContact CG1-CG2 3.67Å; L385-V391 WeakPolarHBondContact O-CA 3.16Å; V391-D394 HydrophobicContact CG1-CB 4.45Å; V391-K469 HydrophobicContact CG2-CD 4.38Å
392	V	66.9	Low	66.4	Low	23 Å²	23	60 Å²	60	14%	0.139	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-27.7	179.2	-67.8	0	0	0	0	112.2	V365 L385 V387 N390	V365-V392 HydrophobicContact CG1-CG1 4.3Å; L385-V392 HydrophobicContact CB-CG2 3.99Å; L385-V392 HydrophobicContact CD2-CG2 3.59Å; L385-V392 HydrophobicContact CG-CG2 3.69Å; L385-V392 VanDerWaalsContact O-CG2 3.28Å; L385-V392 WeakPolarHBondContact O-CG2 3.27Å; L385-V392 PolarHBondContact O-N 2.9Å; V387-V392 HydrophobicContact CB-CG1 3.9Å; V387-V392 HydrophobicContact CB-CG2 4.23Å; V387-V392 HydrophobicContact CG2-CG1 4.26Å; V387-V392 HydrophobicContact CG2-CG2 3.7Å; N390-V392 PolarHBondContact O-N 2.82Å
393	E	65.4	Low	65.6	Low	30 Å²	30	61.3 Å²	61.3	14%	0.14	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	142	176.5	-170.5	166.7	167.2	0	0	110.1	V384 L385 I420 R423	V384-E393 CarbonylContact C-O 3.56Å; V384-E393 WeakPolarHBondContact CA-O 3.36Å; L385-E393 HydrophobicContact CB-CB 4.12Å; L385-E393 PolarHBondContact N-O 3.29Å; L385-E393 PolarHBondContact O-N 3.44Å; E393-I420 HydrophobicContact CB-CG2 4.04Å; E393-I420 VanDerWaalsContact CD-CG2 3.48Å; E393-I420 HydrophobicContact CG-CG2 3.99Å; E393-I420 WeakPolarHBondContact OE2-CG2 3.34Å; E393-R423 IonicContact OE1-CZ 2.63Å; E393-R423 IonicContact OE1-NH2 3.26Å; E393-R423 PolarHBondContact OE1-NH2 2.65Å; E393-R423 IonicContact OE2-CZ 3.91Å; E393-R423 IonicContact OE2-NH2 2.91Å; E393-R423 PolarHBondContact OE2-NH2 2.87Å
394	D	68.1	Low	64.3	Low	72 Å²	72	64.9 Å²	64.9	39%	0.385	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142	170.2	63.4	-29.9	0	0	0	109.5	V383 V384 V391	V383-D394 CarbonylContact O-C 3.59Å; V383-D394 WeakPolarHBondContact O-CA 3.16Å; V384-D394 HydrophobicContact CG2-CB 3.95Å; V391-D394 HydrophobicContact CG1-CB 4.45Å
395	A	57.7	Low	62.7	Low	19 Å²	19	69 Å²	69	16%	0.157	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	140.1	-178.9	0	0	0	0	0	111.3	G382 V383 W397 I420	G382-A395 CarbonylContact C-O 3.6Å; G382-A395 WeakPolarHBondContact CA-O 3.37Å; V383-A395 PolarHBondContact N-O 2.93Å; V383-A395 PolarHBondContact O-N 3.39Å; A395-W397 HydrophobicContact CB-CE3 4.25Å; A395-W397 HydrophobicContact CB-CH2 3.3Å; A395-W397 HydrophobicContact CB-CZ2 3.61Å; A395-W397 HydrophobicContact CB-CZ3 3.62Å; A395-I420 HydrophobicContact CB-CD1 4.01Å
396	T	61.5	Low	61.2	Low	50 Å²	50	74.7 Å²	74.7	31%	0.307	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.9	173.2	-41.3	0	0	0	0	110	A380 L381 L474 C477	A380-T396 HydrophobicContact CB-CG2 3.92Å; L381-T396 CarbonylContact O-C 3.6Å; L381-T396 VanDerWaalsContact O-CA 3.28Å; L381-T396 WeakPolarHBondContact O-CA 3.5Å; L381-T396 VanDerWaalsContact O-CG2 3.23Å; L381-T396 WeakPolarHBondContact O-CG2 3.28Å; T396-L474 HydrophobicContact CG2-CD2 3.95Å; T396-C477 HydrophobicContact CG2-CB 4.3Å
397	W	58.5	Low	60	Low	99 Å²	99	78.8 Å²	78.8	38%	0.375	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.2	176	-59.5	-91.6	0	0	0	110.7	A380 L381 V383 A395 R399 Q416 I420	A380-W397 CarbonylContact C-O 3.53Å; A380-W397 WeakPolarHBondContact CA-O 3.19Å; A380-W397 WeakPolarHBondContact CB-O 3.49Å; L381-W397 PolarHBondContact N-O 3.37Å; L381-W397 PolarHBondContact O-N 3.42Å; V383-W397 HydrophobicContact CB-CH2 4.48Å; V383-W397 HydrophobicContact CB-CZ3 4.01Å; V383-W397 HydrophobicContact CG2-CH2 4.41Å; V383-W397 HydrophobicContact CG2-CZ3 3.76Å; A395-W397 HydrophobicContact CB-CE3 4.25Å; A395-W397 HydrophobicContact CB-CH2 3.3Å; A395-W397 HydrophobicContact CB-CZ2 3.61Å; A395-W397 HydrophobicContact CB-CZ3 3.62Å; W397-R399 PolarHBondContact O-N 3.07Å; W397-Q416 HydrophobicContact CH2-CB 4.21Å; W397-Q416 HydrophobicContact CZ3-CB 4.2Å; W397-I420 HydrophobicContact CH2-CD1 3.55Å; W397-I420 HydrophobicContact CZ2-CD1 4.33Å; W397-I420 HydrophobicContact CZ3-CD1 4.44Å
398	L	55.3	Low	58.6	Low	154 Å²	154	80.5 Å²	80.5	81%	0.806	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	136.3	168.8	-72.4	170	0	0	0	109.8
399	R	57	Low	57.7	Low	59 Å²	59	74.8 Å²	74.8	22%	0.223	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-69.1	138.6	176.6	-173.7	-179.3	178.5	176.8	3.4	109.4	L379 W397 A403	L379-R399 WeakPolarHBondContact O-CB 3.03Å; L379-R399 PolarHBondContact O-N 3.3Å; W397-R399 PolarHBondContact O-N 3.07Å; R399-A403 PolarHBondContact NH2-O 3.35Å
400	S	54.6	Low	56.7	Low	71 Å²	71	75 Å²	75	50%	0.497	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-81.6	139.5	167.2	61.7	0	0	0	0	110.3	D402 A403	S400-D402 PolarHBondContact O-N 3.43Å; S400-D402 VanDerWaalsContact O-N 3.1Å; S400-A403 PolarHBondContact O-N 3.44Å
401	D	52.5	Low	56.2	Low	163 Å²	163	72.9 Å²	72.9	87%	0.872	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.7	178.9	-81.1	-21.2	0	0	0	113.1	A403	D401-A403 VanDerWaalsContact C-N 3.27Å; D401-A403 PolarHBondContact O-N 2.84Å
402	D	46.9	Very low	55.7	Low	137 Å²	137	72 Å²	72	73%	0.733	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-21.5	-176.8	-67.3	-27.7	0	0	0	113.7	S400 S404	S400-D402 PolarHBondContact O-N 3.43Å; S400-D402 VanDerWaalsContact O-N 3.1Å; D402-S404 VanDerWaalsContact C-N 3.3Å; D402-S404 PolarHBondContact O-N 2.83Å; D402-S404 VanDerWaalsContact O-N 3.1Å
403	A	47.8	Very low	55.6	Low	27 Å²	27	70.9 Å²	70.9	22%	0.223	38%	0.379	C	S	.	.			trans	-87.4	64.3	178.9	0	0	0	0	0	110.9	R399 S400 D401 L405 A409	R399-A403 PolarHBondContact NH2-O 3.35Å; S400-A403 PolarHBondContact O-N 3.44Å; D401-A403 VanDerWaalsContact C-N 3.27Å; D401-A403 PolarHBondContact O-N 2.84Å; A403-L405 PolarHBondContact O-N 2.66Å; A403-A409 HydrophobicContact CB-CB 4.19Å
404	S	44.9	Very low	55.7	Low	76 Å²	76	71.9 Å²	71.9	53%	0.531	39%	0.387	S	S	.	.			trans	-67.6	4.7	-171.4	73.8	0	0	0	0	116.3	D402	D402-S404 VanDerWaalsContact C-N 3.3Å; D402-S404 PolarHBondContact O-N 2.83Å; D402-S404 VanDerWaalsContact O-N 3.1Å
405	L	41.5	Very low	55.6	Low	91 Å²	91	68.8 Å²	68.8	48%	0.476	37%	0.37	S	S	.	.	S	Bend	trans	-125.8	127.5	177.9	-63.9	173.7	0	0	0	110.1	F50 A403 N407 M408 A409	F50-L405 HydrophobicContact CZ-CD1 4.31Å; A403-L405 PolarHBondContact O-N 2.66Å; L405-N407 VanDerWaalsContact C-N 3.32Å; L405-N407 PolarHBondContact O-N 2.71Å; L405-M408 HydrophobicContact CB-CB 4.43Å; L405-M408 HydrophobicContact CB-CG 4.32Å; L405-M408 WeakPolarHBondContact O-CB 3.42Å; L405-M408 PolarHBondContact O-N 2.93Å; L405-A409 PolarHBondContact O-N 3.46Å
406	M	45.5	Very low	56	Low	119 Å²	119	69.6 Å²	69.6	59%	0.586	37%	0.371	S	S	*	.	H	α-helix	trans	-51.9	-47.8	-178.1	-164.7	166.7	73.9	0	0	111.9	M408 A409 E410	M406-M408 VanDerWaalsContact C-N 3.26Å; M406-M408 PolarHBondContact O-N 2.79Å; M406-A409 PolarHBondContact O-N 3.26Å; M406-E410 WeakPolarHBondContact O-CG 3.08Å; M406-E410 PolarHBondContact O-N 2.87Å
407	N	52.2	Low	56.2	Low	96 Å²	96	67.2 Å²	67.2	51%	0.513	36%	0.356	S	S	.	.	H	α-helix	trans	-59.6	-31.8	179.1	-55.4	17	0	0	0	113.9	L405 L411	L405-N407 VanDerWaalsContact C-N 3.32Å; L405-N407 PolarHBondContact O-N 2.71Å; N407-L411 WeakPolarHBondContact O-CG 3.42Å; N407-L411 PolarHBondContact O-N 2.8Å
408	M	50.6	Low	56.6	Low	41 Å²	41	63.1 Å²	63.1	20%	0.202	34%	0.342	C	S	.	.	H	α-helix	trans	-73.3	-36.5	178.2	-80.5	-57.7	-48.6	0	0	111.6	L405 M406 D412 L439 I440	L405-M408 HydrophobicContact CB-CB 4.43Å; L405-M408 HydrophobicContact CB-CG 4.32Å; L405-M408 WeakPolarHBondContact O-CB 3.42Å; L405-M408 PolarHBondContact O-N 2.93Å; M406-M408 VanDerWaalsContact C-N 3.26Å; M406-M408 PolarHBondContact O-N 2.79Å; M408-D412 PolarHBondContact O-N 3.17Å; M408-L439 HydrophobicContact CE-CB 3.62Å; M408-L439 HydrophobicContact CE-CD1 3.64Å; M408-L439 HydrophobicContact CE-CG 4.24Å; M408-L439 HydrophobicContact SD-CB 4.12Å; M408-I440 HydrophobicContact SD-CG1 4.44Å
409	A	59.5	Low	57.1	Low	2 Å²	2	56.8 Å²	56.8	2%	0.017	31%	0.309	C	S	.	.	H	α-helix	trans	-78.9	-32.2	-180	0	0	0	0	0	111	I376 L381 A403 L405 M406 D412 A413	I376-A409 HydrophobicContact CD1-CB 3.05Å; L381-A409 HydrophobicContact CD2-CB 4.28Å; L381-A409 WeakPolarHBondContact CD2-O 3.4Å; A403-A409 HydrophobicContact CB-CB 4.19Å; L405-A409 PolarHBondContact O-N 3.46Å; M406-A409 PolarHBondContact O-N 3.26Å; A409-D412 PolarHBondContact O-N 3.11Å; A409-A413 WeakPolarHBondContact O-CB 3.34Å; A409-A413 PolarHBondContact O-N 3.07Å
410	E	58	Low	57.6	Low	82 Å²	82	54.3 Å²	54.3	38%	0.383	30%	0.3	S	S	.	.	H	α-helix	trans	-57.6	-46.9	165.9	-71.2	171.5	-170.2	0	0	111.6	I376 M406 D412 A413 V414	I376-E410 HydrophobicContact CG2-CG 3.54Å; M406-E410 WeakPolarHBondContact O-CG 3.08Å; M406-E410 PolarHBondContact O-N 2.87Å; E410-D412 VanDerWaalsContact C-N 3.32Å; E410-D412 PolarHBondContact O-N 3.22Å; E410-A413 WeakPolarHBondContact O-CB 3.17Å; E410-A413 PolarHBondContact O-N 3.19Å; E410-V414 WeakPolarHBondContact O-CG2 3.15Å; E410-V414 PolarHBondContact O-N 3.06Å
411	L	62.1	Low	58.1	Low	43 Å²	43	51 Å²	51	23%	0.225	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-38.4	175.8	-79.9	168.9	0	0	0	112.5	N407 V414 I415 I440	N407-L411 WeakPolarHBondContact O-CG 3.42Å; N407-L411 PolarHBondContact O-N 2.8Å; L411-V414 PolarHBondContact O-N 3.37Å; L411-I415 VanDerWaalsContact O-CG1 3.31Å; L411-I415 WeakPolarHBondContact O-CG1 2.99Å; L411-I415 PolarHBondContact O-N 2.89Å; L411-I440 HydrophobicContact CD1-CB 4.4Å; L411-I440 HydrophobicContact CD1-CG1 3.84Å; L411-I440 HydrophobicContact CD1-CG2 4.36Å
412	D	62.6	Low	58.7	Low	57 Å²	57	43.5 Å²	43.5	31%	0.305	24%	0.236	S	C	.	.	H	α-helix	trans	-65	-42.4	175.8	-166.2	52.6	0	0	0	111.2	M408 A409 E410 V414 I415 Q416	M408-D412 PolarHBondContact O-N 3.17Å; A409-D412 PolarHBondContact O-N 3.11Å; E410-D412 VanDerWaalsContact C-N 3.32Å; E410-D412 PolarHBondContact O-N 3.22Å; D412-V414 VanDerWaalsContact C-N 3.3Å; D412-V414 PolarHBondContact O-N 2.86Å; D412-I415 PolarHBondContact O-N 2.79Å; D412-Q416 VanDerWaalsContact O-CG 3.3Å; D412-Q416 WeakPolarHBondContact O-CG 3.44Å; D412-Q416 PolarHBondContact O-N 2.79Å; D412-Q416 PolarHBondContact OD2-NE2 3.17Å
413	A	65.2	Low	59.5	Low	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-42.3	173.5	0	0	0	0	0	111.3	V374 L381 A409 E410 Q416 G417	V374-A413 HydrophobicContact CG1-CB 3.11Å; V374-A413 WeakPolarHBondContact CG1-O 3.43Å; L381-A413 HydrophobicContact CB-CB 4.43Å; L381-A413 HydrophobicContact CD2-CB 3.71Å; A409-A413 WeakPolarHBondContact O-CB 3.34Å; A409-A413 PolarHBondContact O-N 3.07Å; E410-A413 WeakPolarHBondContact O-CB 3.17Å; E410-A413 PolarHBondContact O-N 3.19Å; A413-Q416 PolarHBondContact O-N 3.09Å; A413-G417 PolarHBondContact O-N 3.43Å
414	V	67.6	Low	60.1	Low	51 Å²	51	39.3 Å²	39.3	31%	0.309	21%	0.205	S	C	.	.	H	α-helix	trans	-63.6	-43.5	176	172.1	0	0	0	0	111.5	V374 E410 L411 D412 Q416 G417 L418	V374-V414 HydrophobicContact CG1-CG2 4.26Å; E410-V414 WeakPolarHBondContact O-CG2 3.15Å; E410-V414 PolarHBondContact O-N 3.06Å; L411-V414 PolarHBondContact O-N 3.37Å; D412-V414 VanDerWaalsContact C-N 3.3Å; D412-V414 PolarHBondContact O-N 2.86Å; V414-Q416 VanDerWaalsContact C-N 3.32Å; V414-Q416 PolarHBondContact O-N 3.03Å; V414-G417 PolarHBondContact O-N 3.08Å; V414-L418 HydrophobicContact CG1-CD1 4.23Å; V414-L418 WeakPolarHBondContact O-CG 3.39Å; V414-L418 PolarHBondContact O-N 2.77Å
415	I	67.3	Low	61	Low	7 Å²	7	37.5 Å²	37.5	4%	0.036	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-39.5	177.2	-70.6	163.4	0	0	0	110.9	L411 D412 N419 T432 H443	L411-I415 VanDerWaalsContact O-CG1 3.31Å; L411-I415 WeakPolarHBondContact O-CG1 2.99Å; L411-I415 PolarHBondContact O-N 2.89Å; D412-I415 PolarHBondContact O-N 2.79Å; I415-N419 WeakPolarHBondContact O-CB 3.19Å; I415-N419 PolarHBondContact O-N 3.28Å; I415-N419 PolarHBondContact O-ND2 3.47Å; I415-T432 HydrophobicContact CD1-CG2 4.32Å; I415-T432 HydrophobicContact CG2-CG2 4.31Å; I415-H443 HydrophobicContact CD1-CB 4.4Å; I415-H443 WeakPolarHBondContact CD1-CD2 3.47Å
416	Q	65.2	Low	61.8	Low	36 Å²	36	35.9 Å²	35.9	17%	0.168	19%	0.193	C	C	.	.	H	α-helix	trans	-65.5	-39.9	174.5	-68.6	-176	37.8	0	0	111.4	V383 W397 D412 A413 V414 N419 I420	V383-Q416 HydrophobicContact CG2-CB 4.32Å; W397-Q416 HydrophobicContact CH2-CB 4.21Å; W397-Q416 HydrophobicContact CZ3-CB 4.2Å; D412-Q416 VanDerWaalsContact O-CG 3.3Å; D412-Q416 WeakPolarHBondContact O-CG 3.44Å; D412-Q416 PolarHBondContact O-N 2.79Å; D412-Q416 PolarHBondContact OD2-NE2 3.17Å; A413-Q416 PolarHBondContact O-N 3.09Å; V414-Q416 VanDerWaalsContact C-N 3.32Å; V414-Q416 PolarHBondContact O-N 3.03Å; Q416-N419 WeakPolarHBondContact O-CB 3Å; Q416-N419 PolarHBondContact O-N 3.18Å; Q416-I420 PolarHBondContact O-N 2.85Å
417	G	66.3	Low	62.3	Low	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-47.8	172.8	0	0	0	0	0	114	A413 V414 N419 I420 A421	A413-G417 PolarHBondContact O-N 3.43Å; V414-G417 PolarHBondContact O-N 3.08Å; G417-N419 VanDerWaalsContact C-N 3.31Å; G417-N419 PolarHBondContact O-N 3.09Å; G417-I420 PolarHBondContact O-N 3.5Å; G417-A421 PolarHBondContact O-N 2.73Å
418	L	66.8	Low	62.4	Low	14 Å²	14	31.9 Å²	31.9	7%	0.073	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-38.6	175.2	-71.1	174.2	0	0	0	111.8	V414 A421 L422 L430 V447 I458	V414-L418 HydrophobicContact CG1-CD1 4.23Å; V414-L418 WeakPolarHBondContact O-CG 3.39Å; V414-L418 PolarHBondContact O-N 2.77Å; L418-A421 PolarHBondContact O-N 2.75Å; L418-L422 WeakPolarHBondContact O-CB 3.47Å; L418-L422 VanDerWaalsContact O-CG 3.27Å; L418-L422 WeakPolarHBondContact O-CG 3.4Å; L418-L422 PolarHBondContact O-N 2.99Å; L418-L430 HydrophobicContact CB-CD1 4.21Å; L418-V447 HydrophobicContact CD1-CG1 4.44Å; L418-V447 HydrophobicContact CD1-CG2 4.27Å; L418-I458 HydrophobicContact CD1-CD1 4.49Å; L418-I458 HydrophobicContact CD2-CD1 3.99Å
419	N	65.2	Low	62.4	Low	20 Å²	20	38.8 Å²	38.8	11%	0.107	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-41.9	175.5	-88.8	-36.2	0	0	0	113	I415 Q416 G417 R423 R429 L430	I415-N419 WeakPolarHBondContact O-CB 3.19Å; I415-N419 PolarHBondContact O-N 3.28Å; I415-N419 PolarHBondContact O-ND2 3.47Å; Q416-N419 WeakPolarHBondContact O-CB 3Å; Q416-N419 PolarHBondContact O-N 3.18Å; G417-N419 VanDerWaalsContact C-N 3.31Å; G417-N419 PolarHBondContact O-N 3.09Å; N419-R423 WeakPolarHBondContact O-CB 3.09Å; N419-R423 PolarHBondContact O-N 2.74Å; N419-R429 WeakPolarHBondContact OD1-CG 3.28Å; N419-L430 PolarHBondContact ND2-O 3.42Å; N419-L430 WeakPolarHBondContact OD1-CA 3.38Å; N419-L430 WeakPolarHBondContact OD1-CB 3.13Å; N419-L430 VanDerWaalsContact OD1-CG 3.25Å; N419-L430 WeakPolarHBondContact OD1-CG 3.2Å; N419-L430 PolarHBondContact OD1-N 2.96Å
420	I	66.7	Low	62	Low	8 Å²	8	39.5 Å²	39.5	4%	0.041	20%	0.204	C	C	.	.	H	α-helix	trans	-62.7	-49.9	173.3	-74.7	168.3	0	0	0	109.7	V383 L385 E393 A395 W397 Q416 G417 L422 R423 T424	V383-I420 HydrophobicContact CB-CD1 4.09Å; V383-I420 HydrophobicContact CG1-CD1 3.73Å; L385-I420 HydrophobicContact CB-CG2 3.91Å; L385-I420 HydrophobicContact CD2-CG2 3.82Å; L385-I420 HydrophobicContact CG-CG2 4.34Å; E393-I420 HydrophobicContact CB-CG2 4.04Å; E393-I420 VanDerWaalsContact CD-CG2 3.48Å; E393-I420 HydrophobicContact CG-CG2 3.99Å; E393-I420 WeakPolarHBondContact OE2-CG2 3.34Å; A395-I420 HydrophobicContact CB-CD1 4.01Å; W397-I420 HydrophobicContact CH2-CD1 3.55Å; W397-I420 HydrophobicContact CZ2-CD1 4.33Å; W397-I420 HydrophobicContact CZ3-CD1 4.44Å; Q416-I420 PolarHBondContact O-N 2.85Å; G417-I420 PolarHBondContact O-N 3.5Å; I420-L422 PolarHBondContact O-N 3.4Å; I420-R423 PolarHBondContact O-N 3.07Å; I420-T424 PolarHBondContact O-N 2.86Å; I420-T424 PolarHBondContact O-OG1 2.85Å
421	A	66.1	Low	61.5	Low	1 Å²	1	44.5 Å²	44.5	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-57.9	-50.9	179.7	0	0	0	0	0	112.2	L385 G417 L418 R423 T424 F425 F601	L385-A421 HydrophobicContact CD1-CB 3.68Å; G417-A421 PolarHBondContact O-N 2.73Å; L418-A421 PolarHBondContact O-N 2.75Å; A421-R423 VanDerWaalsContact C-N 3.32Å; A421-R423 PolarHBondContact O-N 2.61Å; A421-T424 WeakPolarHBondContact O-CB 3.44Å; A421-T424 PolarHBondContact O-N 3Å; A421-T424 VanDerWaalsContact O-N 3.12Å; A421-F425 WeakPolarHBondContact O-CD2 3.09Å; A421-F425 PolarHBondContact O-N 3.47Å; A421-F425 VanDerWaalsContact O-N 3.11Å; A421-F601 HydrophobicContact CB-CZ 4Å
422	L	66.1	Low	60.7	Low	5 Å²	5	45.6 Å²	45.6	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-56.9	-44.8	177.6	-74.4	168.7	0	0	0	111.5	L418 I420 T424 F425 G426 Q427 L430 L456 F601	L418-L422 WeakPolarHBondContact O-CB 3.47Å; L418-L422 VanDerWaalsContact O-CG 3.27Å; L418-L422 WeakPolarHBondContact O-CG 3.4Å; L418-L422 PolarHBondContact O-N 2.99Å; I420-L422 PolarHBondContact O-N 3.4Å; L422-T424 VanDerWaalsContact C-N 3.33Å; L422-T424 PolarHBondContact O-N 3.22Å; L422-F425 CarbonylContact O-C 3.56Å; L422-F425 PolarHBondContact O-N 3.26Å; L422-G426 PolarHBondContact O-N 2.84Å; L422-Q427 HydrophobicContact CB-CB 3.93Å; L422-Q427 HydrophobicContact CD2-CB 3.61Å; L422-Q427 HydrophobicContact CD2-CG 4.02Å; L422-Q427 HydrophobicContact CG-CB 4.38Å; L422-Q427 WeakPolarHBondContact O-CA 3.32Å; L422-Q427 WeakPolarHBondContact O-CB 3.32Å; L422-Q427 PolarHBondContact O-N 2.87Å; L422-L430 HydrophobicContact CD1-CD1 4.16Å; L422-L430 HydrophobicContact CD1-CD2 3.63Å; L422-L430 HydrophobicContact CD1-CG 3.79Å; L422-L456 HydrophobicContact CD2-CD1 3.99Å; L422-F601 HydrophobicContact CD2-CE1 4.2Å
423	R	63.1	Low	59.5	Low	73 Å²	73	52 Å²	52	28%	0.275	26%	0.259	S	S	.	.	H	α-helix	trans	-61.7	-42.1	177.2	-168.7	-175.3	75.5	-158.3	0.1	111.8	A359 E393 N419 I420 A421 F425 G426	A359-R423 PolarHBondContact O-NE 3.09Å; A359-R423 PolarHBondContact O-NH1 2.81Å; A359-R423 VanDerWaalsContact O-NH1 3.12Å; E393-R423 IonicContact OE1-CZ 2.63Å; E393-R423 IonicContact OE1-NH2 3.26Å; E393-R423 PolarHBondContact OE1-NH2 2.65Å; E393-R423 IonicContact OE2-CZ 3.91Å; E393-R423 IonicContact OE2-NH2 2.91Å; E393-R423 PolarHBondContact OE2-NH2 2.87Å; N419-R423 WeakPolarHBondContact O-CB 3.09Å; N419-R423 PolarHBondContact O-N 2.74Å; I420-R423 PolarHBondContact O-N 3.07Å; A421-R423 VanDerWaalsContact C-N 3.32Å; A421-R423 PolarHBondContact O-N 2.61Å; R423-F425 VanDerWaalsContact C-N 3.26Å; R423-F425 PolarHBondContact O-N 2.75Å; R423-G426 PolarHBondContact O-N 3.26Å
424	T	60.2	Low	58.1	Low	3 Å²	3	55.1 Å²	55.1	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-63.5	-29.4	179.1	-58.4	0	0	0	0	112.6	W363 V365 L385 I420 A421 L422	W363-T424 HydrophobicContact CB-CG2 4.36Å; V365-T424 HydrophobicContact CB-CG2 3.92Å; V365-T424 HydrophobicContact CG2-CG2 3.3Å; L385-T424 HydrophobicContact CD2-CG2 3.84Å; L385-T424 WeakPolarHBondContact CD2-OG1 3.43Å; I420-T424 PolarHBondContact O-N 2.86Å; I420-T424 PolarHBondContact O-OG1 2.85Å; A421-T424 WeakPolarHBondContact O-CB 3.44Å; A421-T424 PolarHBondContact O-N 3Å; A421-T424 VanDerWaalsContact O-N 3.12Å; L422-T424 VanDerWaalsContact C-N 3.33Å; L422-T424 PolarHBondContact O-N 3.22Å
425	F	64.3	Low	56.6	Low	38 Å²	38	56.8 Å²	56.8	17%	0.167	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	14.3	172	-62.3	-76.3	0	0	0	113.8	G367 A370 V387 A421 L422 R423 Q427 F601	G367-F425 WeakPolarHBondContact O-CE1 3.42Å; A370-F425 HydrophobicContact CB-CE2 3.53Å; A370-F425 HydrophobicContact CB-CZ 3.84Å; V387-F425 HydrophobicContact CG2-CZ 4.12Å; A421-F425 WeakPolarHBondContact O-CD2 3.09Å; A421-F425 PolarHBondContact O-N 3.47Å; A421-F425 VanDerWaalsContact O-N 3.11Å; L422-F425 CarbonylContact O-C 3.56Å; L422-F425 PolarHBondContact O-N 3.26Å; R423-F425 VanDerWaalsContact C-N 3.26Å; R423-F425 PolarHBondContact O-N 2.75Å; F425-Q427 VanDerWaalsContact C-N 3.32Å; F425-Q427 PolarHBondContact O-N 3.22Å; F425-F601 HydrophobicContact CB-CD1 4.08Å; F425-F601 HydrophobicContact CB-CE1 4.42Å; F425-F601 HydrophobicContact CB-CG 4.26Å; F425-F601 HydrophobicContact CD1-CD2 4.27Å; F425-F601 HydrophobicContact CD1-CG 4.36Å; F425-F601 AromaticContact CD2-CD1 3.8Å; F425-F601 HydrophobicContact CD2-CD1 3.8Å; F425-F601 AromaticContact CD2-CD2 3.39Å; F425-F601 HydrophobicContact CD2-CD2 3.39Å; F425-F601 AromaticContact CD2-CE1 3.64Å; F425-F601 HydrophobicContact CD2-CE1 3.64Å; F425-F601 AromaticContact CD2-CE2 3.24Å; F425-F601 HydrophobicContact CD2-CE2 3.24Å; F425-F601 AromaticContact CD2-CG 3.69Å; F425-F601 HydrophobicContact CD2-CG 3.69Å; F425-F601 AromaticContact CD2-CZ 3.37Å; F425-F601 HydrophobicContact CD2-CZ 3.37Å; F425-F601 HydrophobicContact CE1-CD2 4.23Å; F425-F601 AromaticContact CE2-CD2 3.37Å; F425-F601 HydrophobicContact CE2-CD2 3.37Å; F425-F601 HydrophobicContact CE2-CE1 4.32Å; F425-F601 AromaticContact CE2-CE2 3.07Å; F425-F601 HydrophobicContact CE2-CE2 3.07Å; F425-F601 HydrophobicContact CE2-CG 4.15Å; F425-F601 AromaticContact CE2-CZ 3.62Å; F425-F601 HydrophobicContact CE2-CZ 3.62Å; F425-F601 HydrophobicContact CG-CB 4.44Å; F425-F601 HydrophobicContact CG-CD1 4.03Å; F425-F601 AromaticContact CG-CD2 3.88Å; F425-F601 HydrophobicContact CG-CD2 3.88Å; F425-F601 HydrophobicContact CG-CE1 4.29Å; F425-F601 HydrophobicContact CG-CE2 4.19Å; F425-F601 AromaticContact CG-CG 3.83Å; F425-F601 HydrophobicContact CG-CG 3.83Å; F425-F601 HydrophobicContact CG-CZ 4.38Å; F425-F601 AromaticContact CZ-CD2 3.8Å; F425-F601 HydrophobicContact CZ-CD2 3.8Å; F425-F601 AromaticContact CZ-CE2 3.88Å; F425-F601 HydrophobicContact CZ-CE2 3.88Å
426	G	57.7	Low	55	Low	58 Å²	58	59.8 Å²	59.8	60%	0.598	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	21	176.5	0	0	0	0	0	115	L422 R423	L422-G426 PolarHBondContact O-N 2.84Å; R423-G426 PolarHBondContact O-N 3.26Å
427	Q	54.8	Low	53.6	Low	66 Å²	66	62.7 Å²	62.7	31%	0.308	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-89.8	166.6	175.4	-62.7	-69.2	-1.6	0	0	111.9	L422 F425 Y454	L422-Q427 HydrophobicContact CB-CB 3.93Å; L422-Q427 HydrophobicContact CD2-CB 3.61Å; L422-Q427 HydrophobicContact CD2-CG 4.02Å; L422-Q427 HydrophobicContact CG-CB 4.38Å; L422-Q427 WeakPolarHBondContact O-CA 3.32Å; L422-Q427 WeakPolarHBondContact O-CB 3.32Å; L422-Q427 PolarHBondContact O-N 2.87Å; F425-Q427 VanDerWaalsContact C-N 3.32Å; F425-Q427 PolarHBondContact O-N 3.22Å; Q427-Y454 HydrophobicContact CB-CE1 4.46Å; Q427-Y454 HydrophobicContact CG-CD1 4.37Å
428	S	54.3	Low	52.2	Low	64 Å²	64	70.5 Å²	70.5	45%	0.448	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-76.7	145.1	-176.7	82.9	0	0	0	0	112.9	Y454	S428-Y454 PolarHBondContact OG-OH 3.36Å
429	R	52.1	Low	51.2	Low	186 Å²	186	70.7 Å²	70.7	70%	0.702	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-71.6	135.9	178.8	-177.8	-176.9	172.9	179.5	0.5	111.3	N419 K431	N419-R429 WeakPolarHBondContact OD1-CG 3.28Å; R429-K431 PolarHBondContact O-N 3.49Å
430	L	49.8	Very low	50.1	Low	18 Å²	18	74.2 Å²	74.2	9%	0.094	40%	0.395	C	S	.	.			trans	-67.2	116	170.1	-47	-174.7	0	0	0	110.3	L418 N419 L422 L450	L418-L430 HydrophobicContact CB-CD1 4.21Å; N419-L430 PolarHBondContact ND2-O 3.42Å; N419-L430 WeakPolarHBondContact OD1-CA 3.38Å; N419-L430 WeakPolarHBondContact OD1-CB 3.13Å; N419-L430 VanDerWaalsContact OD1-CG 3.25Å; N419-L430 WeakPolarHBondContact OD1-CG 3.2Å; N419-L430 PolarHBondContact OD1-N 2.96Å; L422-L430 HydrophobicContact CD1-CD1 4.16Å; L422-L430 HydrophobicContact CD1-CD2 3.63Å; L422-L430 HydrophobicContact CD1-CG 3.79Å; L430-L450 HydrophobicContact CD1-CD1 3.71Å; L430-L450 HydrophobicContact CD2-CD1 3.23Å; L430-L450 HydrophobicContact CD2-CD2 3.62Å; L430-L450 HydrophobicContact CD2-CG 4.03Å; L430-L450 HydrophobicContact CG-CD1 4.04Å
431	K	48.1	Very low	48.7	Very low	187 Å²	187	84.9 Å²	84.9	81%	0.813	44%	0.435	S	S	*	.			trans	-96	101	171.1	-70	-177.1	-178.1	173.5	0	109.6	R429 K433	R429-K431 PolarHBondContact O-N 3.49Å; K431-K433 PolarHBondContact O-N 3.38Å
432	T	46.2	Very low	47.8	Very low	65 Å²	65	92.9 Å²	92.9	40%	0.399	47%	0.465	S	S	.	.			trans	-91.3	99.5	167.6	49	0	0	0	0	109	I415	I415-T432 HydrophobicContact CD1-CG2 4.32Å; I415-T432 HydrophobicContact CG2-CG2 4.31Å
433	K	36.1	Very low	46.9	Very low	193 Å²	193	93.6 Å²	93.6	84%	0.839	47%	0.468	S	S	*	.			trans	-93.1	103.9	163.7	-71.5	-177	177.6	-177.5	0	107.2	K431	K431-K433 PolarHBondContact O-N 3.38Å
434	A	36.9	Very low	46.4	Very low	64 Å²	64	93.2 Å²	93.2	53%	0.529	47%	0.474	S	S	.	.			trans	174.1	135.4	147.2	0	0	0	0	0	112.6	S436	A434-S436 PolarHBondContact O-N 2.84Å
435	A	35.3	Very low	46.2	Very low	86 Å²	86	94.7 Å²	94.7	71%	0.711	49%	0.49	S	S	*	.			trans	-57.7	117.9	166.9	0	0	0	0	0	112.2	E437	A435-E437 PolarHBondContact O-N 3.05Å
436	S	34.6	Very low	45.7	Very low	70 Å²	70	95.4 Å²	95.4	49%	0.49	50%	0.497	S	S	.	.	S	Bend	trans	41.2	7.8	140.5	60.3	0	0	0	0	125.5	A434	A434-S436 PolarHBondContact O-N 2.84Å
437	E	36.1	Very low	45.6	Very low	97 Å²	97	94.3 Å²	94.3	45%	0.453	48%	0.479	S	S	.	.	S	Bend	trans	-127.3	-7.6	-172.2	-138.3	159.9	-146.7	0	0	121.5	A435	A435-E437 PolarHBondContact O-N 3.05Å
438	M	36.9	Very low	45.8	Very low	165 Å²	165	96.2 Å²	96.2	81%	0.813	49%	0.491	S	S	*	.	S	Bend	trans	-138.6	26.2	179.1	-84.8	-177.1	81.7	0	0	115.1
439	L	44.8	Very low	46	Very low	18 Å²	18	95.8 Å²	95.8	9%	0.094	49%	0.491	C	S	.	.	H	α-helix	trans	-92.9	-21.8	-143.6	-66.5	179.1	0	0	0	117.9	M408 R442 H443	M408-L439 HydrophobicContact CE-CB 3.62Å; M408-L439 HydrophobicContact CE-CD1 3.64Å; M408-L439 HydrophobicContact CE-CG 4.24Å; M408-L439 HydrophobicContact SD-CB 4.12Å; L439-R442 PolarHBondContact O-N 3.49Å; L439-H443 WeakPolarHBondContact CD2-CE1 3.24Å; L439-H443 WeakPolarHBondContact O-CA 3.06Å; L439-H443 WeakPolarHBondContact O-CB 3.34Å; L439-H443 PolarHBondContact O-N 2.91Å; L439-H443 PolarHBondContact O-ND1 3.4Å
440	I	42.4	Very low	46	Very low	93 Å²	93	88 Å²	88	48%	0.477	46%	0.463	S	S	.	.	H	α-helix	trans	-64.5	-53	-178.3	-54.9	-178.6	0	0	0	110.9	M408 L411 R442 H443 V444	M408-I440 HydrophobicContact SD-CG1 4.44Å; L411-I440 HydrophobicContact CD1-CB 4.4Å; L411-I440 HydrophobicContact CD1-CG1 3.84Å; L411-I440 HydrophobicContact CD1-CG2 4.36Å; I440-R442 PolarHBondContact O-N 3.17Å; I440-H443 PolarHBondContact O-N 3.02Å; I440-V444 HydrophobicContact CG2-CG2 4.18Å; I440-V444 VanDerWaalsContact O-CB 3.23Å; I440-V444 WeakPolarHBondContact O-CB 3.17Å; I440-V444 WeakPolarHBondContact O-CG2 3.23Å; I440-V444 PolarHBondContact O-N 3.48Å
441	R	37.8	Very low	46.5	Very low	232 Å²	232	89.1 Å²	89.1	88%	0.875	47%	0.471	S	S	*	.	H	α-helix	trans	-63.2	-38.4	177.6	-90.3	-175.8	178.1	174.8	-0.5	113	G445	R441-G445 WeakPolarHBondContact O-CA 3.19Å; R441-G445 PolarHBondContact O-N 2.82Å
442	R	46.9	Very low	47.2	Very low	169 Å²	169	89 Å²	89	64%	0.638	47%	0.47	S	S	*	.	H	α-helix	trans	-74	-39.6	179.5	-166.6	178.3	176.6	161.5	0.4	111.9	L439 I440 G445 T446	L439-R442 PolarHBondContact O-N 3.49Å; I440-R442 PolarHBondContact O-N 3.17Å; R442-G445 CarbonylContact O-C 3.55Å; R442-G445 PolarHBondContact O-N 3.1Å; R442-T446 PolarHBondContact O-N 2.89Å; R442-T446 PolarHBondContact O-OG1 3.18Å
443	H	47.1	Very low	47.9	Very low	20 Å²	20	92.3 Å²	92.3	9%	0.093	48%	0.481	C	S	.	.	H	α-helix	trans	-69.5	-45.3	176.9	-72.7	16.4	0	0	0	111	I415 L439 I440 G445 T446 V447	I415-H443 HydrophobicContact CD1-CB 4.4Å; I415-H443 WeakPolarHBondContact CD1-CD2 3.47Å; L439-H443 WeakPolarHBondContact CD2-CE1 3.24Å; L439-H443 WeakPolarHBondContact O-CA 3.06Å; L439-H443 WeakPolarHBondContact O-CB 3.34Å; L439-H443 PolarHBondContact O-N 2.91Å; L439-H443 PolarHBondContact O-ND1 3.4Å; I440-H443 PolarHBondContact O-N 3.02Å; H443-G445 VanDerWaalsContact C-N 3.26Å; H443-G445 PolarHBondContact O-N 3.38Å; H443-T446 PolarHBondContact O-N 3.4Å; H443-V447 VanDerWaalsContact O-CG2 3.3Å; H443-V447 WeakPolarHBondContact O-CG2 3.35Å; H443-V447 PolarHBondContact O-N 3.2Å
444	V	52.8	Low	49.2	Very low	66 Å²	66	85.1 Å²	85.1	40%	0.4	45%	0.449	S	S	.	.	H	α-helix	trans	-58.5	-42.9	169.8	173.4	0	0	0	0	109.8	I440 T446 V447 L448	I440-V444 HydrophobicContact CG2-CG2 4.18Å; I440-V444 VanDerWaalsContact O-CB 3.23Å; I440-V444 WeakPolarHBondContact O-CB 3.17Å; I440-V444 WeakPolarHBondContact O-CG2 3.23Å; I440-V444 PolarHBondContact O-N 3.48Å; V444-T446 PolarHBondContact O-N 3.06Å; V444-V447 PolarHBondContact O-N 3.09Å; V444-L448 HydrophobicContact CG1-CD1 3.79Å; V444-L448 HydrophobicContact CG1-CG 4.13Å; V444-L448 VanDerWaalsContact O-CB 3.31Å; V444-L448 WeakPolarHBondContact O-CB 3.44Å; V444-L448 WeakPolarHBondContact O-CG 3.36Å; V444-L448 PolarHBondContact O-N 2.8Å
445	G	55	Low	50.5	Low	33 Å²	33	84.5 Å²	84.5	34%	0.34	45%	0.449	S	S	.	.	H	α-helix	trans	-59.9	-42	174.4	0	0	0	0	0	113.7	R441 R442 H443 A449	R441-G445 WeakPolarHBondContact O-CA 3.19Å; R441-G445 PolarHBondContact O-N 2.82Å; R442-G445 CarbonylContact O-C 3.55Å; R442-G445 PolarHBondContact O-N 3.1Å; H443-G445 VanDerWaalsContact C-N 3.26Å; H443-G445 PolarHBondContact O-N 3.38Å; G445-A449 VanDerWaalsContact O-CB 3.29Å; G445-A449 WeakPolarHBondContact O-CB 3.09Å; G445-A449 PolarHBondContact O-N 2.95Å
446	T	54	Low	52	Low	54 Å²	54	80.9 Å²	80.9	33%	0.331	42%	0.417	S	S	.	.	H	α-helix	trans	-65.2	-48	174.5	-55.6	0	0	0	0	110.6	R442 H443 V444 L448 A449 L450	R442-T446 PolarHBondContact O-N 2.89Å; R442-T446 PolarHBondContact O-OG1 3.18Å; H443-T446 PolarHBondContact O-N 3.4Å; V444-T446 PolarHBondContact O-N 3.06Å; T446-L448 VanDerWaalsContact C-N 3.33Å; T446-L448 PolarHBondContact O-N 2.96Å; T446-A449 PolarHBondContact O-N 3.17Å; T446-L450 HydrophobicContact CG2-CD1 3.81Å; T446-L450 HydrophobicContact CG2-CG 4.43Å; T446-L450 WeakPolarHBondContact O-CB 3.44Å; T446-L450 VanDerWaalsContact O-CD1 3.27Å; T446-L450 WeakPolarHBondContact O-CD1 3.34Å; T446-L450 WeakPolarHBondContact O-CG 3.47Å; T446-L450 PolarHBondContact O-N 3.5Å
447	V	55.5	Low	53.7	Low	35 Å²	35	81.7 Å²	81.7	21%	0.212	42%	0.416	C	S	.	.	H	α-helix	trans	-58.3	-45.9	176.5	173.1	0	0	0	0	110.4	L418 H443 V444 A449 L450 V451 I458	L418-V447 HydrophobicContact CD1-CG1 4.44Å; L418-V447 HydrophobicContact CD1-CG2 4.27Å; H443-V447 VanDerWaalsContact O-CG2 3.3Å; H443-V447 WeakPolarHBondContact O-CG2 3.35Å; H443-V447 PolarHBondContact O-N 3.2Å; V444-V447 PolarHBondContact O-N 3.09Å; V447-A449 PolarHBondContact O-N 2.71Å; V447-L450 PolarHBondContact O-N 2.78Å; V447-V451 HydrophobicContact CG1-CG2 4.43Å; V447-V451 WeakPolarHBondContact O-CB 3.49Å; V447-V451 VanDerWaalsContact O-CG2 3.27Å; V447-V451 WeakPolarHBondContact O-CG2 3.45Å; V447-V451 PolarHBondContact O-N 3.14Å; V447-I458 HydrophobicContact CG1-CD1 4.37Å
448	L	58.2	Low	55.2	Low	106 Å²	106	78.8 Å²	78.8	56%	0.555	40%	0.404	S	S	*	.	H	α-helix	trans	-63.2	-40.7	176.1	-72.4	173.1	0	0	0	112.7	V444 T446 L450 K452	V444-L448 HydrophobicContact CG1-CD1 3.79Å; V444-L448 HydrophobicContact CG1-CG 4.13Å; V444-L448 VanDerWaalsContact O-CB 3.31Å; V444-L448 WeakPolarHBondContact O-CB 3.44Å; V444-L448 WeakPolarHBondContact O-CG 3.36Å; V444-L448 PolarHBondContact O-N 2.8Å; T446-L448 VanDerWaalsContact C-N 3.33Å; T446-L448 PolarHBondContact O-N 2.96Å; L448-L450 VanDerWaalsContact C-N 3.28Å; L448-L450 PolarHBondContact O-N 2.84Å; L448-K452 WeakPolarHBondContact O-CB 3.32Å; L448-K452 PolarHBondContact O-N 3.35Å; L448-K452 VanDerWaalsContact O-N 3.07Å
449	A	58.7	Low	56.5	Low	55 Å²	55	74 Å²	74	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-62.8	-38	175.4	0	0	0	0	0	111.3	G445 T446 V447 K452 E453	G445-A449 VanDerWaalsContact O-CB 3.29Å; G445-A449 WeakPolarHBondContact O-CB 3.09Å; G445-A449 PolarHBondContact O-N 2.95Å; T446-A449 PolarHBondContact O-N 3.17Å; V447-A449 PolarHBondContact O-N 2.71Å; A449-K452 CarbonylContact O-C 3.6Å; A449-K452 WeakPolarHBondContact O-CB 3Å; A449-K452 PolarHBondContact O-N 2.9Å; A449-E453 VanDerWaalsContact O-CB 3.27Å; A449-E453 WeakPolarHBondContact O-CB 3.1Å; A449-E453 PolarHBondContact O-N 2.8Å
450	L	53.7	Low	57.6	Low	21 Å²	21	78.8 Å²	78.8	11%	0.11	41%	0.413	C	S	.	.	H	α-helix	trans	-74.8	-40.2	178.9	-66.6	159.1	0	0	0	112.8	L430 T446 V447 L448 K452 E453 Y454	L430-L450 HydrophobicContact CD1-CD1 3.71Å; L430-L450 HydrophobicContact CD2-CD1 3.23Å; L430-L450 HydrophobicContact CD2-CD2 3.62Å; L430-L450 HydrophobicContact CD2-CG 4.03Å; L430-L450 HydrophobicContact CG-CD1 4.04Å; T446-L450 HydrophobicContact CG2-CD1 3.81Å; T446-L450 HydrophobicContact CG2-CG 4.43Å; T446-L450 WeakPolarHBondContact O-CB 3.44Å; T446-L450 VanDerWaalsContact O-CD1 3.27Å; T446-L450 WeakPolarHBondContact O-CD1 3.34Å; T446-L450 WeakPolarHBondContact O-CG 3.47Å; T446-L450 PolarHBondContact O-N 3.5Å; V447-L450 PolarHBondContact O-N 2.78Å; L448-L450 VanDerWaalsContact C-N 3.28Å; L448-L450 PolarHBondContact O-N 2.84Å; L450-K452 PolarHBondContact O-N 3.42Å; L450-E453 PolarHBondContact O-N 3.44Å; L450-Y454 HydrophobicContact CB-CD2 4.37Å; L450-Y454 HydrophobicContact CD2-CD2 3.95Å; L450-Y454 HydrophobicContact CD2-CE2 3.61Å; L450-Y454 WeakPolarHBondContact O-CB 3.5Å; L450-Y454 PolarHBondContact O-N 2.73Å
451	V	60.3	Low	58.7	Low	43 Å²	43	78.6 Å²	78.6	26%	0.261	42%	0.417	S	S	.	.	H	α-helix	trans	-49.7	-46.3	168	159.6	0	0	0	0	109.5	V447 G455 L456 I458	V447-V451 HydrophobicContact CG1-CG2 4.43Å; V447-V451 WeakPolarHBondContact O-CB 3.49Å; V447-V451 VanDerWaalsContact O-CG2 3.27Å; V447-V451 WeakPolarHBondContact O-CG2 3.45Å; V447-V451 PolarHBondContact O-N 3.14Å; V451-G455 CarbonylContact O-C 3.36Å; V451-G455 WeakPolarHBondContact O-CA 2.99Å; V451-G455 PolarHBondContact O-N 2.72Å; V451-G455 VanDerWaalsContact O-N 3.13Å; V451-L456 WeakPolarHBondContact CG1-O 3.37Å; V451-L456 PolarHBondContact O-N 3.13Å; V451-I458 HydrophobicContact CG2-CB 3.96Å; V451-I458 HydrophobicContact CG2-CD1 3.43Å; V451-I458 VanDerWaalsContact CG2-CD1 3.43Å; V451-I458 HydrophobicContact CG2-CG1 3.71Å
452	K	62.5	Low	60	Low	185 Å²	185	76.3 Å²	76.3	80%	0.804	42%	0.421	S	S	*	.	H	α-helix	trans	-71.2	-43	176.9	-169.4	177.7	-179.9	179.9	0	113.5	L448 A449 L450	L448-K452 WeakPolarHBondContact O-CB 3.32Å; L448-K452 PolarHBondContact O-N 3.35Å; L448-K452 VanDerWaalsContact O-N 3.07Å; A449-K452 CarbonylContact O-C 3.6Å; A449-K452 WeakPolarHBondContact O-CB 3Å; A449-K452 PolarHBondContact O-N 2.9Å; L450-K452 PolarHBondContact O-N 3.42Å
453	E	61.2	Low	61	Low	134 Å²	134	70.4 Å²	70.4	63%	0.626	41%	0.408	S	S	*	.	H	α-helix	trans	-69.2	-43.8	-175.4	-175.6	-179.3	174.9	0	0	112.4	A449 L450	A449-E453 VanDerWaalsContact O-CB 3.27Å; A449-E453 WeakPolarHBondContact O-CB 3.1Å; A449-E453 PolarHBondContact O-N 2.8Å; L450-E453 PolarHBondContact O-N 3.44Å
454	Y	61.6	Low	62	Low	41 Å²	41	77.7 Å²	77.7	16%	0.161	44%	0.44	C	S	.	.	H	α-helix	trans	-96.5	0.4	-177.1	-70	-80.6	0	0	0	113.2	Q427 S428 L450 L456 P602	Q427-Y454 HydrophobicContact CB-CE1 4.46Å; Q427-Y454 HydrophobicContact CG-CD1 4.37Å; S428-Y454 PolarHBondContact OG-OH 3.36Å; L450-Y454 HydrophobicContact CB-CD2 4.37Å; L450-Y454 HydrophobicContact CD2-CD2 3.95Å; L450-Y454 HydrophobicContact CD2-CE2 3.61Å; L450-Y454 WeakPolarHBondContact O-CB 3.5Å; L450-Y454 PolarHBondContact O-N 2.73Å; Y454-L456 PolarHBondContact O-N 3.03Å; Y454-P602 WeakPolarHBondContact O-CG 3.42Å
455	G	64.7	Low	62.5	Low	51 Å²	51	78.2 Å²	78.2	53%	0.526	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	34.5	-175.8	0	0	0	0	0	112.5	V451	V451-G455 CarbonylContact O-C 3.36Å; V451-G455 WeakPolarHBondContact O-CA 2.99Å; V451-G455 PolarHBondContact O-N 2.72Å; V451-G455 VanDerWaalsContact O-N 3.13Å
456	L	68.1	Low	62.9	Low	10 Å²	10	82 Å²	82	5%	0.052	47%	0.474	C	S	.	.			trans	-79	128.3	-178.7	-57.3	165.3	0	0	0	108.3	L422 V451 Y454 I458 F601	L422-L456 HydrophobicContact CD2-CD1 3.99Å; V451-L456 WeakPolarHBondContact CG1-O 3.37Å; V451-L456 PolarHBondContact O-N 3.13Å; Y454-L456 PolarHBondContact O-N 3.03Å; L456-I458 HydrophobicContact CB-CD1 4.23Å; L456-I458 HydrophobicContact CB-CG1 3.83Å; L456-I458 HydrophobicContact CD1-CD1 4.16Å; L456-I458 PolarHBondContact O-N 3.01Å; L456-F601 HydrophobicContact CD2-CD1 3.4Å; L456-F601 HydrophobicContact CD2-CE1 3.59Å; L456-F601 HydrophobicContact CD2-CG 4.28Å
457	D	68.8	Low	63.8	Low	87 Å²	87	82.4 Å²	82.4	47%	0.465	48%	0.479	S	S	.	.	B	Isolated β-bridge	trans	-82.9	108.4	160.9	-167.9	16.6	0	0	0	107	V599 N600	D457-V599 VanDerWaalsContact O-CA 3.23Å; D457-V599 WeakPolarHBondContact O-CA 2.76Å; D457-N600 HydrophobicContact CB-CB 3.97Å; D457-N600 PolarHBondContact N-O 2.9Å; D457-N600 PolarHBondContact O-N 3.48Å; D457-N600 VanDerWaalsContact O-N 3.12Å
458	I	68.7	Low	64.6	Low	37 Å²	37	81.7 Å²	81.7	19%	0.19	47%	0.474	C	S	.	.			trans	-114.8	125.5	176.3	-57.3	-179.2	0	0	0	107	L418 V447 V451 L456 V460 V599	L418-I458 HydrophobicContact CD1-CD1 4.49Å; L418-I458 HydrophobicContact CD2-CD1 3.99Å; V447-I458 HydrophobicContact CG1-CD1 4.37Å; V451-I458 HydrophobicContact CG2-CB 3.96Å; V451-I458 HydrophobicContact CG2-CD1 3.43Å; V451-I458 VanDerWaalsContact CG2-CD1 3.43Å; V451-I458 HydrophobicContact CG2-CG1 3.71Å; L456-I458 HydrophobicContact CB-CD1 4.23Å; L456-I458 HydrophobicContact CB-CG1 3.83Å; L456-I458 HydrophobicContact CD1-CD1 4.16Å; L456-I458 PolarHBondContact O-N 3.01Å; I458-V460 HydrophobicContact CG2-CG2 4.4Å; I458-V599 HydrophobicContact CG1-CG1 4.21Å
459	T	64.5	Low	65.3	Low	63 Å²	63	80.5 Å²	80.5	39%	0.387	47%	0.465	S	S	.	.			trans	-132.4	153.2	162.3	30.7	0	0	0	0	111	L597	T459-L597 VanDerWaalsContact CA-CD2 3.44Å; T459-L597 HydrophobicContact CG2-CD1 3.14Å; T459-L597 HydrophobicContact CG2-CD2 3.4Å; T459-L597 HydrophobicContact CG2-CG 3.72Å; T459-L597 WeakPolarHBondContact O-CD2 3.49Å; T459-L597 WeakPolarHBondContact OG1-CD1 3.26Å; T459-L597 WeakPolarHBondContact OG1-CD2 2.89Å; T459-L597 WeakPolarHBondContact OG1-CG 3.31Å
460	V	67.9	Low	65.9	Low	119 Å²	119	77.9 Å²	77.9	72%	0.721	44%	0.443	S	S	*	.			trans	-121.5	123.5	-165.2	179.9	0	0	0	0	108	I458	I458-V460 HydrophobicContact CG2-CG2 4.4Å
461	T	63.8	Low	66.4	Low	89 Å²	89	78.3 Å²	78.3	55%	0.546	45%	0.445	S	S	.	.			trans	-118.7	138.6	178.1	51.4	0	0	0	0	110.2	A463 L597	T461-A463 PolarHBondContact O-N 3.44Å; T461-L597 HydrophobicContact CG2-CB 3.98Å; T461-L597 HydrophobicContact CG2-CD2 4.26Å
462	L	66.2	Low	66.3	Low	185 Å²	185	78.1 Å²	78.1	97%	0.969	45%	0.452	S	S	*	.			trans	-79.9	111.9	169.1	-81.7	148	0	0	0	108.8
463	A	68.8	Low	66	Low	45 Å²	45	70 Å²	70	37%	0.372	42%	0.418	S	S	.	.			trans	-88.9	148.2	172.6	0	0	0	0	0	110.5	W373 T461	W373-A463 HydrophobicContact CZ3-CB 3.96Å; T461-A463 PolarHBondContact O-N 3.44Å
464	K	67.3	Low	65.5	Low	173 Å²	173	63.8 Å²	63.8	75%	0.752	39%	0.389	S	S	*	.			trans	-70.3	144.8	166.8	-67.9	178.1	-178	170	0	108.7	A466 S467 N468	K464-A466 VanDerWaalsContact C-N 3.3Å; K464-A466 PolarHBondContact O-N 2.86Å; K464-S467 PolarHBondContact N-OG 2.73Å; K464-S467 PolarHBondContact O-N 3.24Å; K464-S467 PolarHBondContact O-OG 3.29Å; K464-N468 PolarHBondContact O-N 3.09Å; K464-N468 VanDerWaalsContact O-N 3.15Å
465	S	62.9	Low	64.8	Low	76 Å²	76	66.2 Å²	66.2	53%	0.531	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-44.9	-51	174.6	-63.9	0	0	0	0	112.9	S467 N468 D471	S465-S467 PolarHBondContact O-N 2.82Å; S465-N468 WeakPolarHBondContact O-CB 3.08Å; S465-N468 PolarHBondContact O-N 3.04Å; S465-D471 WeakPolarHBondContact CA-OD2 3.36Å; S465-D471 WeakPolarHBondContact CB-OD2 2.84Å; S465-D471 VanDerWaalsContact O-CG 3.29Å
466	A	63.8	Low	63.8	Low	112 Å²	112	65.8 Å²	65.8	93%	0.926	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-58.7	-19.7	179.3	0	0	0	0	0	115.6	K464	K464-A466 VanDerWaalsContact C-N 3.3Å; K464-A466 PolarHBondContact O-N 2.86Å
467	S	72.6	Confident	62.4	Low	64 Å²	64	67.9 Å²	67.9	45%	0.448	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-102.2	-8.5	175.6	52.4	0	0	0	0	113.6	W373 K464 S465 K469	W373-S467 WeakPolarHBondContact CZ3-O 3.27Å; K464-S467 PolarHBondContact N-OG 2.73Å; K464-S467 PolarHBondContact O-N 3.24Å; K464-S467 PolarHBondContact O-OG 3.29Å; S465-S467 PolarHBondContact O-N 2.82Å; S467-K469 PolarHBondContact O-N 3.38Å
468	N	72	Confident	60.6	Low	19 Å²	19	65 Å²	65	10%	0.102	40%	0.397	C	S	.	.			trans	-80.1	117.2	-176.8	-168.8	-13.3	0	0	0	109.8	V374 D375 K464 S465 V470 D471	V374-N468 PolarHBondContact O-ND2 3.34Å; V374-N468 VanDerWaalsContact O-ND2 3.16Å; D375-N468 WeakPolarHBondContact CB-ND2 3.43Å; K464-N468 PolarHBondContact O-N 3.09Å; K464-N468 VanDerWaalsContact O-N 3.15Å; S465-N468 WeakPolarHBondContact O-CB 3.08Å; S465-N468 PolarHBondContact O-N 3.04Å; N468-V470 PolarHBondContact O-N 3.24Å; N468-V470 VanDerWaalsContact O-N 3.13Å; N468-V470 WeakPolarHBondContact OD1-CB 3.19Å; N468-V470 WeakPolarHBondContact OD1-CG2 3.28Å; N468-V470 PolarHBondContact OD1-N 2.93Å; N468-D471 WeakPolarHBondContact CB-OD1 3.11Å; N468-D471 WeakPolarHBondContact O-CB 3.18Å; N468-D471 PolarHBondContact O-N 3.31Å; N468-D471 VanDerWaalsContact O-N 3.1Å
469	K	73.7	Confident	58.8	Low	82 Å²	82	72.6 Å²	72.6	36%	0.357	43%	0.425	S	S	.	.	H	α-helix	trans	-63.3	-19.9	179.4	-63.5	-169.7	176.9	-179	0	113.1	W373 V384 E386 V391 S467	W373-K469 HydrophobicContact CB-CB 4.43Å; W373-K469 HydrophobicContact CD2-CB 4.21Å; W373-K469 HydrophobicContact CD2-CG 4.14Å; W373-K469 HydrophobicContact CG-CB 4Å; W373-K469 HydrophobicContact CG-CG 4.34Å; W373-K469 HydrophobicContact CZ2-CD 4.42Å; W373-K469 HydrophobicContact CZ2-CG 4.39Å; V384-K469 HydrophobicContact CB-CB 4.39Å; V384-K469 HydrophobicContact CG1-CB 4.09Å; E386-K469 IonicContact OE1-NZ 2.9Å; E386-K469 PolarHBondContact OE1-NZ 3.1Å; E386-K469 WeakPolarHBondContact OE2-CE 3.28Å; E386-K469 IonicContact OE2-NZ 2.71Å; E386-K469 PolarHBondContact OE2-NZ 3.37Å; V391-K469 HydrophobicContact CG2-CD 4.38Å; S467-K469 PolarHBondContact O-N 3.38Å
470	V	70.6	Confident	57.4	Low	0 Å²	0	75.2 Å²	75.2	0%	0	43%	0.434	C	S	.	.	H	α-helix	trans	-74.1	-28.5	176.5	-174.9	0	0	0	0	112.4	W373 D375 G382 V384 N468 G472 C473 L474	W373-V470 HydrophobicContact CB-CG2 3.61Å; W373-V470 VanDerWaalsContact O-CG2 3.23Å; W373-V470 WeakPolarHBondContact O-CG2 3.32Å; D375-V470 HydrophobicContact CB-CB 3.71Å; D375-V470 HydrophobicContact CB-CG1 3.61Å; G382-V470 VanDerWaalsContact CA-CG1 3.43Å; G382-V470 WeakPolarHBondContact O-CG1 3.48Å; V384-V470 HydrophobicContact CB-CG2 4.02Å; V384-V470 HydrophobicContact CG2-CG2 3.93Å; N468-V470 PolarHBondContact O-N 3.24Å; N468-V470 VanDerWaalsContact O-N 3.13Å; N468-V470 WeakPolarHBondContact OD1-CB 3.19Å; N468-V470 WeakPolarHBondContact OD1-CG2 3.28Å; N468-V470 PolarHBondContact OD1-N 2.93Å; V470-G472 PolarHBondContact O-N 2.95Å; V470-G472 VanDerWaalsContact O-N 3.16Å; V470-C473 CarbonylContact O-C 3.56Å; V470-C473 WeakPolarHBondContact O-CA 3.11Å; V470-C473 WeakPolarHBondContact O-CB 2.88Å; V470-C473 PolarHBondContact O-N 2.98Å; V470-L474 HydrophobicContact CG1-CD1 3.97Å; V470-L474 HydrophobicContact CG1-CG 3.95Å; V470-L474 PolarHBondContact O-N 3.35Å
471	D	63.6	Low	55.8	Low	29 Å²	29	71.1 Å²	71.1	16%	0.155	41%	0.412	C	S	.	.	H	α-helix	trans	-57	-37.2	-177.4	-77.4	27.2	0	0	0	111	D375 S465 N468 C473 L474 D475	D375-D471 VanDerWaalsContact OD2-OD1 3.1Å; S465-D471 WeakPolarHBondContact CA-OD2 3.36Å; S465-D471 WeakPolarHBondContact CB-OD2 2.84Å; S465-D471 VanDerWaalsContact O-CG 3.29Å; N468-D471 WeakPolarHBondContact CB-OD1 3.11Å; N468-D471 WeakPolarHBondContact O-CB 3.18Å; N468-D471 PolarHBondContact O-N 3.31Å; N468-D471 VanDerWaalsContact O-N 3.1Å; D471-C473 PolarHBondContact O-N 3.47Å; D471-L474 PolarHBondContact O-N 3.09Å; D471-D475 WeakPolarHBondContact O-CA 3.08Å; D471-D475 WeakPolarHBondContact O-CB 3.03Å; D471-D475 PolarHBondContact O-N 3.4Å
472	G	58.4	Low	54.3	Low	39 Å²	39	70 Å²	70	40%	0.402	41%	0.409	S	S	.	.	H	α-helix	trans	-64.5	-35.2	173.4	0	0	0	0	0	114.2	V470 A476	V470-G472 PolarHBondContact O-N 2.95Å; V470-G472 VanDerWaalsContact O-N 3.16Å; G472-A476 PolarHBondContact O-N 2.91Å; G472-A476 VanDerWaalsContact O-N 3.07Å
473	C	56.4	Low	52.4	Low	14 Å²	14	62.3 Å²	62.3	10%	0.095	37%	0.374	C	S	.	.	H	α-helix	trans	-74.4	-41.2	176.4	-65.9	0	0	0	0	111.6	V470 D471 A476 C477	V470-C473 CarbonylContact O-C 3.56Å; V470-C473 WeakPolarHBondContact O-CA 3.11Å; V470-C473 WeakPolarHBondContact O-CB 2.88Å; V470-C473 PolarHBondContact O-N 2.98Å; D471-C473 PolarHBondContact O-N 3.47Å; C473-A476 PolarHBondContact O-N 3.01Å; C473-C477 PolarHBondContact O-N 3.16Å
474	L	50.7	Low	50.8	Low	4 Å²	4	67.3 Å²	67.3	2%	0.021	39%	0.394	C	S	.	.	H	α-helix	trans	-68.6	-44.5	174.3	-79.8	175.2	0	0	0	110.6	D375 A380 T396 V470 D471 A476 C477 V478	D375-L474 HydrophobicContact CB-CD1 3.55Å; D375-L474 WeakPolarHBondContact OD2-CD1 3.45Å; A380-L474 HydrophobicContact CB-CD2 3.83Å; A380-L474 WeakPolarHBondContact O-CD2 3.11Å; T396-L474 HydrophobicContact CG2-CD2 3.95Å; V470-L474 HydrophobicContact CG1-CD1 3.97Å; V470-L474 HydrophobicContact CG1-CG 3.95Å; V470-L474 PolarHBondContact O-N 3.35Å; D471-L474 PolarHBondContact O-N 3.09Å; L474-A476 PolarHBondContact O-N 2.87Å; L474-C477 CarbonylContact O-C 3.55Å; L474-C477 WeakPolarHBondContact O-CA 3.11Å; L474-C477 WeakPolarHBondContact O-CB 3.24Å; L474-C477 PolarHBondContact O-N 3.01Å; L474-V478 WeakPolarHBondContact O-CA 3.41Å; L474-V478 WeakPolarHBondContact O-CB 3.47Å; L474-V478 WeakPolarHBondContact O-CG2 3.35Å; L474-V478 PolarHBondContact O-N 2.73Å
475	D	46.9	Very low	49	Very low	93 Å²	93	60.7 Å²	60.7	50%	0.497	38%	0.375	S	S	.	.	H	α-helix	trans	-56.4	-38.3	173.2	-80.3	-18.1	0	0	0	110.8	D471 C477 V478 Y479	D471-D475 WeakPolarHBondContact O-CA 3.08Å; D471-D475 WeakPolarHBondContact O-CB 3.03Å; D471-D475 PolarHBondContact O-N 3.4Å; D475-C477 VanDerWaalsContact C-N 3.33Å; D475-C477 PolarHBondContact O-N 3.41Å; D475-V478 CarbonylContact O-C 3.54Å; D475-V478 PolarHBondContact O-N 2.98Å; D475-Y479 WeakPolarHBondContact O-CA 3.5Å; D475-Y479 WeakPolarHBondContact O-CB 3.2Å; D475-Y479 PolarHBondContact O-N 3.41Å
476	A	45	Very low	47.8	Very low	41 Å²	41	59.9 Å²	59.9	34%	0.339	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-39.2	172.8	0	0	0	0	0	112.9	G472 C473 L474	G472-A476 PolarHBondContact O-N 2.91Å; G472-A476 VanDerWaalsContact O-N 3.07Å; C473-A476 PolarHBondContact O-N 3.01Å; L474-A476 PolarHBondContact O-N 2.87Å
477	C	38.5	Very low	46.7	Very low	54 Å²	54	58.6 Å²	58.6	37%	0.365	34%	0.344	S	S	.	.	H	α-helix	trans	-75.6	-33.1	176.2	-65.8	0	0	0	0	113.3	T396 C473 L474 D475 A481	T396-C477 HydrophobicContact CG2-CB 4.3Å; C473-C477 PolarHBondContact O-N 3.16Å; L474-C477 CarbonylContact O-C 3.55Å; L474-C477 WeakPolarHBondContact O-CA 3.11Å; L474-C477 WeakPolarHBondContact O-CB 3.24Å; L474-C477 PolarHBondContact O-N 3.01Å; D475-C477 VanDerWaalsContact C-N 3.33Å; D475-C477 PolarHBondContact O-N 3.41Å; C477-A481 PolarHBondContact O-N 3.22Å
478	V	31.2	Very low	45.2	Very low	26 Å²	26	62 Å²	62	16%	0.158	35%	0.353	C	S	.	.	H	α-helix	trans	-83.6	-41.6	-176.2	164.8	0	0	0	0	108.6	L474 D475 M480 A481 S482	L474-V478 WeakPolarHBondContact O-CA 3.41Å; L474-V478 WeakPolarHBondContact O-CB 3.47Å; L474-V478 WeakPolarHBondContact O-CG2 3.35Å; L474-V478 PolarHBondContact O-N 2.73Å; D475-V478 CarbonylContact O-C 3.54Å; D475-V478 PolarHBondContact O-N 2.98Å; V478-M480 PolarHBondContact O-N 3.27Å; V478-M480 VanDerWaalsContact O-N 3.09Å; V478-A481 CarbonylContact O-C 3.4Å; V478-A481 WeakPolarHBondContact O-CA 3.39Å; V478-A481 PolarHBondContact O-N 2.94Å; V478-S482 WeakPolarHBondContact CG1-OG 3.49Å; V478-S482 WeakPolarHBondContact O-CA 3.01Å; V478-S482 WeakPolarHBondContact O-CB 3.4Å; V478-S482 PolarHBondContact O-N 3.42Å; V478-S482 PolarHBondContact O-OG 3.47Å
479	Y	30	Very low	44.1	Very low	198 Å²	198	69.7 Å²	69.7	78%	0.776	38%	0.381	S	S	*	.	H	α-helix	trans	-59.9	-25.8	172.9	-141.6	-94.8	0	0	0	112.4	D475	D475-Y479 WeakPolarHBondContact O-CA 3.5Å; D475-Y479 WeakPolarHBondContact O-CB 3.2Å; D475-Y479 PolarHBondContact O-N 3.41Å
480	M	35.7	Very low	43	Very low	117 Å²	117	70.9 Å²	70.9	58%	0.576	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-21.9	168.2	-81.3	-168.3	178.8	0	0	114.3	V478 Y533	V478-M480 PolarHBondContact O-N 3.27Å; V478-M480 VanDerWaalsContact O-N 3.09Å; M480-Y533 HydrophobicContact CE-CE1 4.39Å
481	A	34.8	Very low	42.3	Very low	33 Å²	33	75.5 Å²	75.5	27%	0.273	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-12.2	-172.1	0	0	0	0	0	117	L379 C477 V478	L379-A481 HydrophobicContact CD1-CB 3.58Å; C477-A481 PolarHBondContact O-N 3.22Å; V478-A481 CarbonylContact O-C 3.4Å; V478-A481 WeakPolarHBondContact O-CA 3.39Å; V478-A481 PolarHBondContact O-N 2.94Å
482	S	31.5	Very low	42	Very low	67 Å²	67	82.6 Å²	82.6	47%	0.469	43%	0.43	S	S	.	.			trans	-108.5	8.8	-157.2	78.7	0	0	0	0	115.9	V478 N484	V478-S482 WeakPolarHBondContact CG1-OG 3.49Å; V478-S482 WeakPolarHBondContact O-CA 3.01Å; V478-S482 WeakPolarHBondContact O-CB 3.4Å; V478-S482 PolarHBondContact O-N 3.42Å; V478-S482 PolarHBondContact O-OG 3.47Å; S482-N484 PolarHBondContact O-N 3.2Å
483	G	27.2	Very low	42.2	Very low	23 Å²	23	81.7 Å²	81.7	24%	0.237	42%	0.418	C	S	.	.			trans	-81.1	109	149.3	0	0	0	0	0	107.7	G485 I486 V487	G483-G485 PolarHBondContact O-N 3.09Å; G483-I486 WeakPolarHBondContact O-CA 3.45Å; G483-I486 PolarHBondContact O-N 3.39Å; G483-V487 PolarHBondContact O-N 2.95Å
484	N	34.6	Very low	42.7	Very low	150 Å²	150	81.4 Å²	81.4	80%	0.802	42%	0.417	S	S	*	.	H	α-helix	trans	-46.9	-33.5	154.5	-90.1	-9.4	0	0	0	109.6	S482 I486 E488	S482-N484 PolarHBondContact O-N 3.2Å; N484-I486 PolarHBondContact O-N 3.11Å; N484-E488 WeakPolarHBondContact O-CB 3.19Å; N484-E488 PolarHBondContact O-N 3.46Å
485	G	29	Very low	43.4	Very low	33 Å²	33	86.9 Å²	86.9	34%	0.34	44%	0.441	S	S	.	.	H	α-helix	trans	-72.5	-16.2	172	0	0	0	0	0	116.6	G483 R489	G483-G485 PolarHBondContact O-N 3.09Å; G485-R489 WeakPolarHBondContact O-CB 3.3Å; G485-R489 WeakPolarHBondContact O-CD 2.97Å; G485-R489 WeakPolarHBondContact O-CG 3.45Å; G485-R489 PolarHBondContact O-N 3.11Å; G485-R489 PolarHBondContact O-NE 3.31Å
486	I	37.3	Very low	44.4	Very low	60 Å²	60	86.7 Å²	86.7	31%	0.308	44%	0.439	S	S	.	.	H	α-helix	trans	-92.1	-48.7	-179.3	-72.6	-179.2	0	0	0	111.3	G483 N484 E488 R489 Y490	G483-I486 WeakPolarHBondContact O-CA 3.45Å; G483-I486 PolarHBondContact O-N 3.39Å; N484-I486 PolarHBondContact O-N 3.11Å; I486-E488 PolarHBondContact O-N 3.11Å; I486-R489 CarbonylContact O-C 3.54Å; I486-R489 PolarHBondContact O-N 3.43Å; I486-R489 VanDerWaalsContact O-N 3.13Å; I486-Y490 HydrophobicContact CB-CE2 4.44Å; I486-Y490 HydrophobicContact CG2-CD2 3.33Å; I486-Y490 HydrophobicContact CG2-CE2 2.98Å; I486-Y490 HydrophobicContact CG2-CG 4.42Å; I486-Y490 WeakPolarHBondContact O-CB 3.49Å; I486-Y490 WeakPolarHBondContact O-CD2 3.48Å; I486-Y490 PolarHBondContact O-N 3.32Å
487	V	41.7	Very low	45.7	Very low	84 Å²	84	86.4 Å²	86.4	51%	0.509	43%	0.431	S	S	.	.	H	α-helix	trans	-60.4	-41.2	171.1	176.9	0	0	0	0	109.6	G483 Y490 H491	G483-V487 PolarHBondContact O-N 2.95Å; V487-Y490 PolarHBondContact O-N 3.45Å; V487-H491 WeakPolarHBondContact O-CB 3.38Å; V487-H491 PolarHBondContact O-N 3.08Å
488	E	40.6	Very low	47.4	Very low	135 Å²	135	84.5 Å²	84.5	63%	0.631	42%	0.42	S	S	*	.	H	α-helix	trans	-66.5	-37.2	174.5	-165	178.6	-159.2	0	0	112.2	N484 I486 R492	N484-E488 WeakPolarHBondContact O-CB 3.19Å; N484-E488 PolarHBondContact O-N 3.46Å; I486-E488 PolarHBondContact O-N 3.11Å; E488-R492 WeakPolarHBondContact O-CA 3.24Å; E488-R492 WeakPolarHBondContact O-CB 3.17Å; E488-R492 PolarHBondContact O-N 2.94Å
489	R	48.5	Very low	49.3	Very low	182 Å²	182	87 Å²	87	69%	0.687	44%	0.443	S	S	*	.	H	α-helix	trans	-67	-42.1	171.7	-83.9	167.4	-159	-168.4	5.5	112.6	G485 I486 R492 A493	G485-R489 WeakPolarHBondContact O-CB 3.3Å; G485-R489 WeakPolarHBondContact O-CD 2.97Å; G485-R489 WeakPolarHBondContact O-CG 3.45Å; G485-R489 PolarHBondContact O-N 3.11Å; G485-R489 PolarHBondContact O-NE 3.31Å; I486-R489 CarbonylContact O-C 3.54Å; I486-R489 PolarHBondContact O-N 3.43Å; I486-R489 VanDerWaalsContact O-N 3.13Å; R489-R492 PolarHBondContact O-N 3.07Å; R489-A493 WeakPolarHBondContact O-CB 3.41Å; R489-A493 PolarHBondContact O-N 3.35Å
490	Y	52	Low	51.6	Low	106 Å²	106	85.7 Å²	85.7	42%	0.416	44%	0.441	S	S	.	.	H	α-helix	trans	-63.9	-45.3	177.3	-75.9	-53.3	0	0	0	109.9	I486 V487 A493 A494 Y512	I486-Y490 HydrophobicContact CB-CE2 4.44Å; I486-Y490 HydrophobicContact CG2-CD2 3.33Å; I486-Y490 HydrophobicContact CG2-CE2 2.98Å; I486-Y490 HydrophobicContact CG2-CG 4.42Å; I486-Y490 WeakPolarHBondContact O-CB 3.49Å; I486-Y490 WeakPolarHBondContact O-CD2 3.48Å; I486-Y490 PolarHBondContact O-N 3.32Å; V487-Y490 PolarHBondContact O-N 3.45Å; Y490-A493 PolarHBondContact O-N 2.9Å; Y490-A494 VanDerWaalsContact O-CB 3.28Å; Y490-A494 WeakPolarHBondContact O-CB 3.46Å; Y490-A494 PolarHBondContact O-N 2.92Å; Y490-Y512 HydrophobicContact CD1-CD1 4.19Å; Y490-Y512 AromaticContact CD1-CE1 3.12Å; Y490-Y512 HydrophobicContact CD1-CE1 3.12Å; Y490-Y512 HydrophobicContact CD1-CE2 4.41Å; Y490-Y512 AromaticContact CD1-CZ 3.25Å; Y490-Y512 WeakPolarHBondContact CD1-OH 3.45Å; Y490-Y512 AromaticContact CE1-CE1 3.35Å; Y490-Y512 HydrophobicContact CE1-CE1 3.35Å; Y490-Y512 AromaticContact CE1-CZ 3.49Å; Y490-Y512 VanDerWaalsContact CE1-CZ 3.49Å; Y490-Y512 WeakPolarHBondContact CE1-OH 3.44Å; Y490-Y512 HydrophobicContact CG-CE1 4.37Å
491	H	53.9	Low	53.7	Low	98 Å²	98	86.6 Å²	86.6	45%	0.454	44%	0.442	S	S	.	.	H	α-helix	trans	-67.4	-41.6	176.2	-165.2	-145.5	0	0	0	111.6	V487 A494 K495	V487-H491 WeakPolarHBondContact O-CB 3.38Å; V487-H491 PolarHBondContact O-N 3.08Å; H491-A494 PolarHBondContact O-N 3.33Å; H491-K495 WeakPolarHBondContact CE1-CE 3.01Å; H491-K495 PolarHBondContact CE1-NZ 2.81Å; H491-K495 PolarHBondContact ND1-NZ 3.43Å; H491-K495 WeakPolarHBondContact NE2-CE 3.27Å; H491-K495 WeakPolarHBondContact O-CB 3.44Å; H491-K495 WeakPolarHBondContact O-CG 3.48Å; H491-K495 PolarHBondContact O-N 2.85Å
492	R	57.7	Low	55.7	Low	178 Å²	178	91 Å²	91	67%	0.672	46%	0.461	S	S	*	.	H	α-helix	trans	-65.6	-40.6	174.7	-169.9	176.8	-174.7	-178.4	2.1	111.3	E488 R489 K495 L496	E488-R492 WeakPolarHBondContact O-CA 3.24Å; E488-R492 WeakPolarHBondContact O-CB 3.17Å; E488-R492 PolarHBondContact O-N 2.94Å; R489-R492 PolarHBondContact O-N 3.07Å; R492-K495 PolarHBondContact O-N 3.38Å; R492-L496 HydrophobicContact CG-CD1 4.1Å; R492-L496 HydrophobicContact CG-CG 4.44Å; R492-L496 WeakPolarHBondContact O-CB 3.22Å; R492-L496 WeakPolarHBondContact O-CG 3.26Å; R492-L496 PolarHBondContact O-N 2.93Å
493	A	64	Low	57.9	Low	20 Å²	20	91.6 Å²	91.6	17%	0.165	45%	0.453	C	S	.	.	H	α-helix	trans	-67.9	-44.5	176.6	0	0	0	0	0	111.6	R489 Y490 L496 I497 Y512	R489-A493 WeakPolarHBondContact O-CB 3.41Å; R489-A493 PolarHBondContact O-N 3.35Å; Y490-A493 PolarHBondContact O-N 2.9Å; A493-L496 PolarHBondContact O-N 3.18Å; A493-I497 WeakPolarHBondContact O-CB 3.15Å; A493-I497 VanDerWaalsContact O-CG1 3.26Å; A493-I497 WeakPolarHBondContact O-CG1 3.49Å; A493-I497 PolarHBondContact O-N 2.88Å; A493-Y512 HydrophobicContact CB-CD2 3.67Å; A493-Y512 HydrophobicContact CB-CE2 3.42Å; A493-Y512 VanDerWaalsContact CB-CE2 3.42Å
494	A	65.8	Low	60.1	Low	7 Å²	7	94 Å²	94	6%	0.058	47%	0.467	C	S	.	.	H	α-helix	trans	-63.1	-42.7	174.1	0	0	0	0	0	111.5	Y490 H491 I497 A498 A508 V509	Y490-A494 VanDerWaalsContact O-CB 3.28Å; Y490-A494 WeakPolarHBondContact O-CB 3.46Å; Y490-A494 PolarHBondContact O-N 2.92Å; H491-A494 PolarHBondContact O-N 3.33Å; A494-I497 PolarHBondContact O-N 2.8Å; A494-A498 VanDerWaalsContact O-CB 3.27Å; A494-A498 WeakPolarHBondContact O-CB 3.13Å; A494-A498 PolarHBondContact O-N 3.28Å; A494-A508 WeakPolarHBondContact O-CB 3.09Å; A494-V509 HydrophobicContact CB-CG2 3.99Å
495	K	65.9	Low	61.2	Low	120 Å²	120	92.2 Å²	92.2	52%	0.522	46%	0.456	S	S	.	.	H	α-helix	trans	-63.2	-40.3	172.8	-77.7	176	171.2	179.8	0	112.3	H491 R492 A498 A499	H491-K495 WeakPolarHBondContact CE1-CE 3.01Å; H491-K495 PolarHBondContact CE1-NZ 2.81Å; H491-K495 PolarHBondContact ND1-NZ 3.43Å; H491-K495 WeakPolarHBondContact NE2-CE 3.27Å; H491-K495 WeakPolarHBondContact O-CB 3.44Å; H491-K495 WeakPolarHBondContact O-CG 3.48Å; H491-K495 PolarHBondContact O-N 2.85Å; R492-K495 PolarHBondContact O-N 3.38Å; K495-A498 PolarHBondContact O-N 2.77Å; K495-A499 WeakPolarHBondContact O-CB 2.9Å; K495-A499 PolarHBondContact O-N 2.69Å
496	L	68.3	Low	62.7	Low	88 Å²	88	95.2 Å²	95.2	46%	0.461	47%	0.469	S	S	.	.	H	α-helix	trans	-66.6	-38.8	175.7	-78.7	169	0	0	0	111.6	R492 A493 K500	R492-L496 HydrophobicContact CG-CD1 4.1Å; R492-L496 HydrophobicContact CG-CG 4.44Å; R492-L496 WeakPolarHBondContact O-CB 3.22Å; R492-L496 WeakPolarHBondContact O-CG 3.26Å; R492-L496 PolarHBondContact O-N 2.93Å; A493-L496 PolarHBondContact O-N 3.18Å; L496-K500 WeakPolarHBondContact O-CB 3.35Å; L496-K500 VanDerWaalsContact O-CG 3.29Å; L496-K500 WeakPolarHBondContact O-CG 3.31Å; L496-K500 PolarHBondContact O-N 2.75Å
497	I	71.9	Confident	63.9	Low	35 Å²	35	97.8 Å²	97.8	18%	0.179	48%	0.478	C	S	.	.	H	α-helix	trans	-66.6	-47.4	174	-69.7	162.6	0	0	0	109.8	A493 A494 A499 K500 K501 Y503 A508 L511 Y512	A493-I497 WeakPolarHBondContact O-CB 3.15Å; A493-I497 VanDerWaalsContact O-CG1 3.26Å; A493-I497 WeakPolarHBondContact O-CG1 3.49Å; A493-I497 PolarHBondContact O-N 2.88Å; A494-I497 PolarHBondContact O-N 2.8Å; I497-A499 VanDerWaalsContact C-N 3.33Å; I497-A499 PolarHBondContact O-N 3.34Å; I497-K500 PolarHBondContact O-N 2.84Å; I497-K501 WeakPolarHBondContact O-CB 3.17Å; I497-K501 PolarHBondContact O-N 3.26Å; I497-Y503 HydrophobicContact CG2-CD2 4.2Å; I497-A508 HydrophobicContact CB-CB 4.16Å; I497-A508 HydrophobicContact CG2-CB 3.83Å; I497-L511 HydrophobicContact CG2-CD2 3.77Å; I497-Y512 HydrophobicContact CD1-CD2 3.9Å; I497-Y512 HydrophobicContact CD1-CG 4.33Å
498	A	72.9	Confident	65.2	Low	15 Å²	15	93.8 Å²	93.8	12%	0.124	45%	0.454	C	S	.	.	H	α-helix	trans	-57	-46.4	176.2	0	0	0	0	0	110.9	A494 K495 N502 Y503 A508	A494-A498 VanDerWaalsContact O-CB 3.27Å; A494-A498 WeakPolarHBondContact O-CB 3.13Å; A494-A498 PolarHBondContact O-N 3.28Å; K495-A498 PolarHBondContact O-N 2.77Å; A498-N502 CarbonylContact O-C 3.58Å; A498-N502 WeakPolarHBondContact O-CA 3.21Å; A498-N502 PolarHBondContact O-N 3.5Å; A498-Y503 WeakPolarHBondContact CB-O 3.28Å; A498-Y503 PolarHBondContact O-N 3.45Å; A498-Y503 VanDerWaalsContact O-N 3.08Å; A498-A508 HydrophobicContact CB-CB 3.88Å
499	A	72.4	Confident	66.4	Low	77 Å²	77	90.3 Å²	90.3	64%	0.636	44%	0.442	S	S	*	.	H	α-helix	trans	-70.8	-45.2	178.9	0	0	0	0	0	113.2	K495 I497 K501	K495-A499 WeakPolarHBondContact O-CB 2.9Å; K495-A499 PolarHBondContact O-N 2.69Å; I497-A499 VanDerWaalsContact C-N 3.33Å; I497-A499 PolarHBondContact O-N 3.34Å; A499-K501 PolarHBondContact O-N 3.04Å
500	K	77.2	Confident	67.2	Low	172 Å²	172	89.1 Å²	89.1	75%	0.748	44%	0.439	S	S	*	.	H	α-helix	trans	-70.9	-30	-178.4	-77.1	-173.4	175.6	-172.7	0	113.7	L496 I497	L496-K500 WeakPolarHBondContact O-CB 3.35Å; L496-K500 VanDerWaalsContact O-CG 3.29Å; L496-K500 WeakPolarHBondContact O-CG 3.31Å; L496-K500 PolarHBondContact O-N 2.75Å; I497-K500 PolarHBondContact O-N 2.84Å
501	K	80	Confident	68	Low	136 Å²	136	86.8 Å²	86.8	59%	0.591	43%	0.433	S	S	*	.	H	α-helix	trans	-112.7	0.9	-175.8	-61	-64.8	-172.9	178.5	0	113.3	I497 A499 Y503	I497-K501 WeakPolarHBondContact O-CB 3.17Å; I497-K501 PolarHBondContact O-N 3.26Å; A499-K501 PolarHBondContact O-N 3.04Å; K501-Y503 VanDerWaalsContact C-N 3.25Å; K501-Y503 HydrophobicContact CB-CD1 4.1Å; K501-Y503 HydrophobicContact CB-CD2 3.67Å; K501-Y503 HydrophobicContact CB-CE1 4.05Å; K501-Y503 HydrophobicContact CB-CE2 3.61Å; K501-Y503 HydrophobicContact CB-CG 3.92Å; K501-Y503 HydrophobicContact CG-CD2 4.43Å; K501-Y503 HydrophobicContact CG-CE2 4.08Å; K501-Y503 VanDerWaalsContact O-CD1 3.3Å; K501-Y503 WeakPolarHBondContact O-CD1 3.45Å; K501-Y503 WeakPolarHBondContact O-CE1 3.18Å; K501-Y503 PolarHBondContact O-N 3.24Å
502	N	77.3	Confident	68.6	Low	124 Å²	124	83.2 Å²	83.2	66%	0.663	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	43.8	-173.1	-143.8	23.2	0	0	0	113.2	A498	A498-N502 CarbonylContact O-C 3.58Å; A498-N502 WeakPolarHBondContact O-CA 3.21Å; A498-N502 PolarHBondContact O-N 3.5Å
503	Y	76.9	Confident	68.9	Low	80 Å²	80	77.7 Å²	77.7	31%	0.314	40%	0.4	S	S	.	.			trans	-92.7	148.6	179.4	-70.4	-18.4	0	0	0	111.5	I497 A498 K501 K507 L511	I497-Y503 HydrophobicContact CG2-CD2 4.2Å; A498-Y503 WeakPolarHBondContact CB-O 3.28Å; A498-Y503 PolarHBondContact O-N 3.45Å; A498-Y503 VanDerWaalsContact O-N 3.08Å; K501-Y503 VanDerWaalsContact C-N 3.25Å; K501-Y503 HydrophobicContact CB-CD1 4.1Å; K501-Y503 HydrophobicContact CB-CD2 3.67Å; K501-Y503 HydrophobicContact CB-CE1 4.05Å; K501-Y503 HydrophobicContact CB-CE2 3.61Å; K501-Y503 HydrophobicContact CB-CG 3.92Å; K501-Y503 HydrophobicContact CG-CD2 4.43Å; K501-Y503 HydrophobicContact CG-CE2 4.08Å; K501-Y503 VanDerWaalsContact O-CD1 3.3Å; K501-Y503 WeakPolarHBondContact O-CD1 3.45Å; K501-Y503 WeakPolarHBondContact O-CE1 3.18Å; K501-Y503 PolarHBondContact O-N 3.24Å; Y503-K507 HydrophobicContact CD1-CD 4.23Å; Y503-K507 HydrophobicContact CD2-CG 4.44Å; Y503-K507 HydrophobicContact CG-CD 4.21Å; Y503-K507 HydrophobicContact CG-CG 4.38Å; Y503-L511 HydrophobicContact CD2-CD2 4.39Å; Y503-L511 HydrophobicContact CE2-CD2 3.98Å
504	S	73.5	Confident	68.9	Low	74 Å²	74	79.4 Å²	79.4	52%	0.517	41%	0.408	S	S	.	.			trans	-58	147.2	165.9	71.7	0	0	0	0	110.2	P506 K507 A508	S504-P506 VanDerWaalsContact C-CD 3.46Å; S504-P506 VanDerWaalsContact C-N 3.31Å; S504-K507 PolarHBondContact O-N 3.48Å; S504-A508 PolarHBondContact O-N 3.42Å
505	I	58.5	Low	68.9	Low	112 Å²	112	82.1 Å²	82.1	57%	0.574	42%	0.424	S	S	*	.	H	α-helix	trans	-51.9	-44.4	-178.9	-60.8	178	0	0	0	111.9	K507 A508 V509	I505-K507 PolarHBondContact O-N 3.21Å; I505-A508 PolarHBondContact O-N 3.47Å; I505-V509 HydrophobicContact CG2-CG2 4.4Å; I505-V509 VanDerWaalsContact O-CG2 3.31Å; I505-V509 WeakPolarHBondContact O-CG2 3.3Å; I505-V509 PolarHBondContact O-N 2.82Å
506	P	59.7	Low	68.4	Low	97 Å²	97	78.8 Å²	78.8	63%	0.63	41%	0.414	S	S	*	.	H	α-helix	trans	-61.2	-40.2	177.3	-24.4	35.1	0	0	0	113.6	S504 V509 Y510	S504-P506 VanDerWaalsContact C-CD 3.46Å; S504-P506 VanDerWaalsContact C-N 3.31Å; P506-V509 PolarHBondContact O-N 2.92Å; P506-Y510 PolarHBondContact O-N 2.83Å
507	K	63.3	Low	67.8	Low	114 Å²	114	81.9 Å²	81.9	50%	0.496	42%	0.42	S	S	.	.	H	α-helix	trans	-70.5	-36.5	179	-170	175.1	-176.5	178	0	111.4	Y503 S504 I505 Y510 L511	Y503-K507 HydrophobicContact CD1-CD 4.23Å; Y503-K507 HydrophobicContact CD2-CG 4.44Å; Y503-K507 HydrophobicContact CG-CD 4.21Å; Y503-K507 HydrophobicContact CG-CG 4.38Å; S504-K507 PolarHBondContact O-N 3.48Å; I505-K507 PolarHBondContact O-N 3.21Å; K507-Y510 PolarHBondContact O-N 3.09Å; K507-L511 WeakPolarHBondContact O-CB 3.47Å; K507-L511 PolarHBondContact O-N 2.65Å
508	A	68.2	Low	67.2	Low	0 Å²	0	83.6 Å²	83.6	0%	0	45%	0.447	C	S	.	.	H	α-helix	trans	-64.8	-40.2	174.1	0	0	0	0	0	112.1	A494 I497 A498 S504 I505 Y512	A494-A508 WeakPolarHBondContact O-CB 3.09Å; I497-A508 HydrophobicContact CB-CB 4.16Å; I497-A508 HydrophobicContact CG2-CB 3.83Å; A498-A508 HydrophobicContact CB-CB 3.88Å; S504-A508 PolarHBondContact O-N 3.42Å; I505-A508 PolarHBondContact O-N 3.47Å; A508-Y512 VanDerWaalsContact O-CB 3.24Å; A508-Y512 WeakPolarHBondContact O-CB 3.5Å; A508-Y512 PolarHBondContact O-N 2.75Å
509	V	66.4	Low	66	Low	62 Å²	62	91.4 Å²	91.4	38%	0.376	49%	0.486	S	S	.	.	H	α-helix	trans	-65.4	-44.4	174	172.4	0	0	0	0	111.2	A494 I505 P506 Y512 N513	A494-V509 HydrophobicContact CB-CG2 3.99Å; I505-V509 HydrophobicContact CG2-CG2 4.4Å; I505-V509 VanDerWaalsContact O-CG2 3.31Å; I505-V509 WeakPolarHBondContact O-CG2 3.3Å; I505-V509 PolarHBondContact O-N 2.82Å; P506-V509 PolarHBondContact O-N 2.92Å; V509-Y512 WeakPolarHBondContact O-CB 3.42Å; V509-Y512 PolarHBondContact O-N 2.98Å; V509-N513 PolarHBondContact O-N 3.41Å; V509-N513 VanDerWaalsContact O-N 3.07Å; V509-N513 PolarHBondContact O-ND2 2.73Å
510	Y	66.5	Low	64.4	Low	157 Å²	157	90.8 Å²	90.8	62%	0.616	48%	0.476	S	S	*	.	H	α-helix	trans	-58.2	-51.2	175.1	175.3	-98.9	0	0	0	111.6	P506 K507 Y512 N513 V514	P506-Y510 PolarHBondContact O-N 2.83Å; K507-Y510 PolarHBondContact O-N 3.09Å; Y510-Y512 VanDerWaalsContact C-N 3.31Å; Y510-Y512 PolarHBondContact O-N 2.93Å; Y510-N513 PolarHBondContact O-N 3.49Å; Y510-N513 VanDerWaalsContact O-N 3.09Å; Y510-V514 HydrophobicContact CD1-CG2 4.39Å; Y510-V514 HydrophobicContact CD2-CG1 4.48Å; Y510-V514 HydrophobicContact CE1-CG2 4.03Å; Y510-V514 HydrophobicContact CE2-CG1 4.03Å; Y510-V514 WeakPolarHBondContact O-CG2 3.27Å; Y510-V514 PolarHBondContact O-N 3.39Å
511	L	67.6	Low	62.9	Low	57 Å²	57	87.3 Å²	87.3	30%	0.298	47%	0.47	S	S	.	.	H	α-helix	trans	-60.3	-42.8	-179.9	-161.7	84.7	0	0	0	111.5	I497 Y503 K507 N513 V514 T515	I497-L511 HydrophobicContact CG2-CD2 3.77Å; Y503-L511 HydrophobicContact CD2-CD2 4.39Å; Y503-L511 HydrophobicContact CE2-CD2 3.98Å; K507-L511 WeakPolarHBondContact O-CB 3.47Å; K507-L511 PolarHBondContact O-N 2.65Å; L511-N513 VanDerWaalsContact C-N 3.26Å; L511-N513 PolarHBondContact O-N 2.82Å; L511-V514 PolarHBondContact O-N 3.41Å; L511-T515 VanDerWaalsContact O-CB 3.3Å; L511-T515 WeakPolarHBondContact O-CB 3.48Å; L511-T515 PolarHBondContact O-N 3.49Å; L511-T515 PolarHBondContact O-OG1 2.8Å
512	Y	67	Low	61.7	Low	23 Å²	23	85 Å²	85	9%	0.09	47%	0.47	C	S	.	.	H	α-helix	trans	-56.2	-41.8	175.3	177.2	-92.2	0	0	0	112.3	Y490 A493 I497 A508 V509 Y510 R517 P526	Y490-Y512 HydrophobicContact CD1-CD1 4.19Å; Y490-Y512 AromaticContact CD1-CE1 3.12Å; Y490-Y512 HydrophobicContact CD1-CE1 3.12Å; Y490-Y512 HydrophobicContact CD1-CE2 4.41Å; Y490-Y512 AromaticContact CD1-CZ 3.25Å; Y490-Y512 WeakPolarHBondContact CD1-OH 3.45Å; Y490-Y512 AromaticContact CE1-CE1 3.35Å; Y490-Y512 HydrophobicContact CE1-CE1 3.35Å; Y490-Y512 AromaticContact CE1-CZ 3.49Å; Y490-Y512 VanDerWaalsContact CE1-CZ 3.49Å; Y490-Y512 WeakPolarHBondContact CE1-OH 3.44Å; Y490-Y512 HydrophobicContact CG-CE1 4.37Å; A493-Y512 HydrophobicContact CB-CD2 3.67Å; A493-Y512 HydrophobicContact CB-CE2 3.42Å; A493-Y512 VanDerWaalsContact CB-CE2 3.42Å; I497-Y512 HydrophobicContact CD1-CD2 3.9Å; I497-Y512 HydrophobicContact CD1-CG 4.33Å; A508-Y512 VanDerWaalsContact O-CB 3.24Å; A508-Y512 WeakPolarHBondContact O-CB 3.5Å; A508-Y512 PolarHBondContact O-N 2.75Å; V509-Y512 WeakPolarHBondContact O-CB 3.42Å; V509-Y512 PolarHBondContact O-N 2.98Å; Y510-Y512 VanDerWaalsContact C-N 3.31Å; Y510-Y512 PolarHBondContact O-N 2.93Å; Y512-R517 PolarHBondContact OH-NH2 3.49Å; Y512-P526 HydrophobicContact CE1-CB 4.39Å; Y512-P526 HydrophobicContact CE1-CG 4Å
513	N	63.1	Low	60.3	Low	62 Å²	62	89.4 Å²	89.4	33%	0.332	48%	0.478	S	S	.	.	H	α-helix	trans	-72.2	-29.8	-177.5	-73	-22.4	0	0	0	113.4	V509 Y510 L511 P526 A527	V509-N513 PolarHBondContact O-N 3.41Å; V509-N513 VanDerWaalsContact O-N 3.07Å; V509-N513 PolarHBondContact O-ND2 2.73Å; Y510-N513 PolarHBondContact O-N 3.49Å; Y510-N513 VanDerWaalsContact O-N 3.09Å; L511-N513 VanDerWaalsContact C-N 3.26Å; L511-N513 PolarHBondContact O-N 2.82Å; N513-P526 WeakPolarHBondContact O-CD 3.3Å; N513-A527 HydrophobicContact CB-CB 4.36Å; N513-A527 WeakPolarHBondContact O-CB 3.29Å; N513-A527 PolarHBondContact O-N 3.24Å
514	V	64	Low	59.1	Low	56 Å²	56	91.4 Å²	91.4	34%	0.339	49%	0.493	S	S	.	.	H	α-helix	trans	-105.2	-12	-173.3	-55.7	0	0	0	0	114.7	Y510 L511 T525	Y510-V514 HydrophobicContact CD1-CG2 4.39Å; Y510-V514 HydrophobicContact CD2-CG1 4.48Å; Y510-V514 HydrophobicContact CE1-CG2 4.03Å; Y510-V514 HydrophobicContact CE2-CG1 4.03Å; Y510-V514 WeakPolarHBondContact O-CG2 3.27Å; Y510-V514 PolarHBondContact O-N 3.39Å; L511-V514 PolarHBondContact O-N 3.41Å; V514-T525 VanDerWaalsContact O-CG2 3.27Å; V514-T525 WeakPolarHBondContact O-CG2 3.28Å
515	T	67	Low	58.2	Low	64 Å²	64	88.3 Å²	88.3	39%	0.393	47%	0.471	S	S	.	.	S	Bend	trans	-84.1	123.5	-177.6	-53.5	0	0	0	0	111	L511	L511-T515 VanDerWaalsContact O-CB 3.3Å; L511-T515 WeakPolarHBondContact O-CB 3.48Å; L511-T515 PolarHBondContact O-N 3.49Å; L511-T515 PolarHBondContact O-OG1 2.8Å
516	P	55.4	Low	57.9	Low	50 Å²	50	84.2 Å²	84.2	33%	0.325	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-65.2	136.9	174	-14.9	29.5	0	0	0	110	C520 T525	P516-C520 WeakPolarHBondContact CB-O 3.3Å; P516-T525 HydrophobicContact CB-CG2 4.24Å; P516-T525 HydrophobicContact CG-CG2 3.93Å
517	R	55.6	Low	57.5	Low	152 Å²	152	80.6 Å²	80.6	57%	0.574	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-86.3	125.4	179.1	-71.7	-178	170.9	-159	-2.7	110.3	Y512 C520	Y512-R517 PolarHBondContact OH-NH2 3.49Å; R517-C520 WeakPolarHBondContact O-CB 3.43Å; R517-C520 PolarHBondContact O-N 2.92Å; R517-C520 PolarHBondContact O-SG 3.34Å
518	G	58.4	Low	56.8	Low	72 Å²	72	76.5 Å²	76.5	74%	0.742	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	-145.9	174.8	0	0	0	0	0	113.2	C520	G518-C520 PolarHBondContact O-N 3.16Å; G518-C520 VanDerWaalsContact O-N 3.12Å
519	D	47.8	Very low	55.9	Low	178 Å²	178	79.5 Å²	79.5	95%	0.952	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	9.4	177.7	-58.9	-30	0	0	0	113.3
520	C	38.6	Very low	54.8	Low	64 Å²	64	79.8 Å²	79.8	43%	0.432	44%	0.444	S	S	.	.			trans	-79	140.6	-179.3	-59.6	0	0	0	0	112.1	P516 R517 G518 L524	P516-C520 WeakPolarHBondContact CB-O 3.3Å; R517-C520 WeakPolarHBondContact O-CB 3.43Å; R517-C520 PolarHBondContact O-N 2.92Å; R517-C520 PolarHBondContact O-SG 3.34Å; G518-C520 PolarHBondContact O-N 3.16Å; G518-C520 VanDerWaalsContact O-N 3.12Å; C520-L524 HydrophobicContact CB-CD1 4.12Å
521	T	47.4	Very low	53.6	Low	100 Å²	100	79.2 Å²	79.2	61%	0.613	44%	0.442	S	S	*	.			trans	-69.7	156.8	178	41.4	0	0	0	0	112.8	R523 L524	T521-R523 PolarHBondContact O-N 3.38Å; T521-L524 PolarHBondContact O-N 2.9Å
522	S	53.4	Low	52.4	Low	86 Å²	86	84.1 Å²	84.1	60%	0.601	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-47.3	-18	179.8	-179.5	0	0	0	0	116.2	L524 T525	S522-L524 VanDerWaalsContact C-N 3.34Å; S522-T525 WeakPolarHBondContact O-CG2 3.34Å; S522-T525 PolarHBondContact O-OG1 2.89Å
523	R	48.8	Very low	51.4	Low	218 Å²	218	86.4 Å²	86.4	82%	0.823	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-76.1	-13.2	179.8	-72.9	-178.6	167.1	173.6	-3.5	114.6	T521 A528	T521-R523 PolarHBondContact O-N 3.38Å; R523-A528 VanDerWaalsContact O-CB 3.3Å; R523-A528 WeakPolarHBondContact O-CB 3.37Å
524	L	50.8	Low	50.6	Low	122 Å²	122	87.3 Å²	87.3	64%	0.639	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-107.8	17.3	-178.8	-64.6	173.3	0	0	0	113.3	C520 T521 S522	C520-L524 HydrophobicContact CB-CD1 4.12Å; T521-L524 PolarHBondContact O-N 2.9Å; S522-L524 VanDerWaalsContact C-N 3.34Å
525	T	55	Low	50.2	Low	9 Å²	9	85.1 Å²	85.1	6%	0.055	46%	0.459	C	S	.	.	S	Bend	trans	-66.3	151.3	174.6	57.3	0	0	0	0	110.5	V514 P516 S522 A527 A528 A529	V514-T525 VanDerWaalsContact O-CG2 3.27Å; V514-T525 WeakPolarHBondContact O-CG2 3.28Å; P516-T525 HydrophobicContact CB-CG2 4.24Å; P516-T525 HydrophobicContact CG-CG2 3.93Å; S522-T525 WeakPolarHBondContact O-CG2 3.34Å; S522-T525 PolarHBondContact O-OG1 2.89Å; T525-A527 PolarHBondContact O-N 2.88Å; T525-A528 PolarHBondContact O-N 3.46Å; T525-A528 WeakPolarHBondContact OG1-CB 3.31Å; T525-A528 PolarHBondContact OG1-N 3.44Å; T525-A528 VanDerWaalsContact OG1-N 3.11Å; T525-A529 PolarHBondContact O-N 2.98Å
526	P	52.8	Low	49.6	Very low	25 Å²	25	87.1 Å²	87.1	16%	0.162	46%	0.459	C	S	.	.	H	α-helix	trans	-52.2	-38.1	174.3	-26.6	33.8	0	0	0	112.7	Y512 N513 V530	Y512-P526 HydrophobicContact CE1-CB 4.39Å; Y512-P526 HydrophobicContact CE1-CG 4Å; N513-P526 WeakPolarHBondContact O-CD 3.3Å; P526-V530 VanDerWaalsContact O-CG2 3.26Å; P526-V530 WeakPolarHBondContact O-CG2 3.35Å; P526-V530 PolarHBondContact O-N 3.06Å; P526-V530 VanDerWaalsContact O-N 3.17Å
527	A	51.4	Low	49.7	Very low	22 Å²	22	85.8 Å²	85.8	18%	0.182	45%	0.45	C	S	.	.	H	α-helix	trans	-64	-45.8	172.9	0	0	0	0	0	112.4	N513 T525 A529 V530 Y531	N513-A527 HydrophobicContact CB-CB 4.36Å; N513-A527 WeakPolarHBondContact O-CB 3.29Å; N513-A527 PolarHBondContact O-N 3.24Å; T525-A527 PolarHBondContact O-N 2.88Å; A527-A529 VanDerWaalsContact C-N 3.34Å; A527-A529 PolarHBondContact O-N 2.93Å; A527-V530 CarbonylContact O-C 3.49Å; A527-V530 WeakPolarHBondContact O-CA 3.18Å; A527-V530 WeakPolarHBondContact O-CB 3.44Å; A527-V530 PolarHBondContact O-N 3.49Å; A527-V530 VanDerWaalsContact O-N 3.11Å; A527-Y531 HydrophobicContact CB-CE2 4.41Å; A527-Y531 WeakPolarHBondContact O-CD2 3.36Å; A527-Y531 PolarHBondContact O-N 2.75Å
528	A	47.8	Very low	49.7	Very low	27 Å²	27	81 Å²	81	22%	0.223	43%	0.433	C	S	.	.	H	α-helix	trans	-66	-35	179.1	0	0	0	0	0	112.9	R523 T525 V530 Y531 K532	R523-A528 VanDerWaalsContact O-CB 3.3Å; R523-A528 WeakPolarHBondContact O-CB 3.37Å; T525-A528 PolarHBondContact O-N 3.46Å; T525-A528 WeakPolarHBondContact OG1-CB 3.31Å; T525-A528 PolarHBondContact OG1-N 3.44Å; T525-A528 VanDerWaalsContact OG1-N 3.11Å; A528-V530 PolarHBondContact O-N 2.65Å; A528-Y531 PolarHBondContact O-N 2.82Å; A528-K532 PolarHBondContact O-N 2.74Å; A528-K532 VanDerWaalsContact O-N 3.11Å
529	A	49.2	Very low	49.6	Very low	64 Å²	64	82.6 Å²	82.6	53%	0.529	43%	0.425	S	S	.	.	H	α-helix	trans	-63.6	-32.4	172.2	0	0	0	0	0	112	T525 A527 Y531	T525-A529 PolarHBondContact O-N 2.98Å; A527-A529 VanDerWaalsContact C-N 3.34Å; A527-A529 PolarHBondContact O-N 2.93Å; A529-Y531 VanDerWaalsContact C-N 3.31Å
530	V	43.8	Very low	49.7	Very low	67 Å²	67	80.1 Å²	80.1	41%	0.406	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.1	172.9	173.9	0	0	0	0	112.6	P526 A527 A528 Y533	P526-V530 VanDerWaalsContact O-CG2 3.26Å; P526-V530 WeakPolarHBondContact O-CG2 3.35Å; P526-V530 PolarHBondContact O-N 3.06Å; P526-V530 VanDerWaalsContact O-N 3.17Å; A527-V530 CarbonylContact O-C 3.49Å; A527-V530 WeakPolarHBondContact O-CA 3.18Å; A527-V530 WeakPolarHBondContact O-CB 3.44Å; A527-V530 PolarHBondContact O-N 3.49Å; A527-V530 VanDerWaalsContact O-N 3.11Å; A528-V530 PolarHBondContact O-N 2.65Å; V530-Y533 WeakPolarHBondContact O-CE2 2.98Å; V530-Y533 PolarHBondContact O-OH 2.83Å; V530-Y533 VanDerWaalsContact O-OH 3.09Å
531	Y	41.5	Very low	50.5	Low	146 Å²	146	81.4 Å²	81.4	57%	0.573	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-11.8	177.7	-67.4	-63.2	0	0	0	114.7	A527 A528 A529 Y533	A527-Y531 HydrophobicContact CB-CE2 4.41Å; A527-Y531 WeakPolarHBondContact O-CD2 3.36Å; A527-Y531 PolarHBondContact O-N 2.75Å; A528-Y531 PolarHBondContact O-N 2.82Å; A529-Y531 VanDerWaalsContact C-N 3.31Å; Y531-Y533 PolarHBondContact O-N 2.77Å
532	K	42	Very low	50.8	Low	160 Å²	160	79.4 Å²	79.4	70%	0.696	43%	0.429	S	S	*	.			trans	-94.8	81.6	176.4	-168.2	-174.1	178.3	-170.4	0	110.2	A528	A528-K532 PolarHBondContact O-N 2.74Å; A528-K532 VanDerWaalsContact O-N 3.11Å
533	Y	46.7	Very low	50.2	Low	70 Å²	70	84.3 Å²	84.3	28%	0.275	44%	0.435	S	S	.	.			trans	-98.6	134.3	171.3	-61.1	-74.3	0	0	0	110.6	M480 V530 Y531 V553 H576	M480-Y533 HydrophobicContact CE-CE1 4.39Å; V530-Y533 WeakPolarHBondContact O-CE2 2.98Å; V530-Y533 PolarHBondContact O-OH 2.83Å; V530-Y533 VanDerWaalsContact O-OH 3.09Å; Y531-Y533 PolarHBondContact O-N 2.77Å; Y533-V553 PolarHBondContact O-N 3.22Å; Y533-V553 VanDerWaalsContact O-N 3.14Å; Y533-H576 AromaticContact CD1-CD2 3.72Å; Y533-H576 AromaticContact CD1-NE2 3.63Å
534	E	45.8	Very low	50.2	Low	81 Å²	81	75.6 Å²	75.6	38%	0.379	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	123.2	154.5	-67.6	-172.4	136.8	0	0	107.1	K550 G551 C577	E534-K550 WeakPolarHBondContact OE1-CE 3.28Å; E534-K550 IonicContact OE1-NZ 3.87Å; E534-K550 PolarHBondContact OE1-NZ 3.17Å; E534-K550 WeakPolarHBondContact OE2-CE 3.46Å; E534-K550 IonicContact OE2-NZ 3.65Å; E534-K550 PolarHBondContact OE2-NZ 3.37Å; E534-G551 WeakPolarHBondContact CA-O 3.22Å; E534-C577 HydrophobicContact CB-CB 3.84Å; E534-C577 WeakPolarHBondContact O-CB 3.32Å; E534-C577 PolarHBondContact O-N 3.28Å
535	V	54.9	Low	50	Low	11 Å²	11	73.8 Å²	73.8	7%	0.067	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.1	-178.5	-64.4	0	0	0	0	110.4	V537 K550 G551 V553 V564 L574 R575	V535-V537 HydrophobicContact CG2-CG2 3.98Å; V535-K550 CarbonylContact O-C 3.48Å; V535-K550 WeakPolarHBondContact O-CA 3.49Å; V535-G551 PolarHBondContact N-O 3.4Å; V535-G551 PolarHBondContact O-N 2.82Å; V535-V553 HydrophobicContact CB-CG2 4.43Å; V535-V553 HydrophobicContact CG1-CG2 3.83Å; V535-V553 HydrophobicContact CG2-CG2 3.68Å; V535-V564 HydrophobicContact CG2-CG1 3.93Å; V535-V564 HydrophobicContact CG2-CG2 4Å; V535-L574 HydrophobicContact CB-CB 4.36Å; V535-L574 HydrophobicContact CG1-CB 4.44Å; V535-L574 HydrophobicContact CG2-CD2 4.02Å; V535-R575 CarbonylContact C-O 3.55Å; V535-R575 WeakPolarHBondContact CA-O 3.28Å; V535-R575 VanDerWaalsContact CB-O 3.23Å; V535-R575 WeakPolarHBondContact CB-O 3.45Å
536	R	54.8	Low	49.7	Very low	106 Å²	106	75.1 Å²	75.1	40%	0.4	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	117.1	164.1	-93	179.5	176.4	-172.6	0.2	107.6	F548 R549 L574 R575	R536-F548 HydrophobicContact CB-CB 3.52Å; R536-F548 HydrophobicContact CB-CD1 4.17Å; R536-F548 HydrophobicContact CB-CG 4.12Å; R536-F548 HydrophobicContact CG-CB 3.82Å; R536-R549 CarbonylContact C-O 3.51Å; R536-R549 WeakPolarHBondContact CA-O 3.44Å; R536-L574 CarbonylContact O-C 3.6Å; R536-R575 HydrophobicContact CB-CB 3.96Å; R536-R575 PolarHBondContact N-O 3.39Å; R536-R575 PolarHBondContact O-N 3.48Å
537	V	57.1	Low	49.6	Very low	22 Å²	22	85.3 Å²	85.3	13%	0.133	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.8	-179.6	-170.6	0	0	0	0	109.8	V535 R549 V564 C569 L574	V535-V537 HydrophobicContact CG2-CG2 3.98Å; V537-R549 PolarHBondContact N-O 2.76Å; V537-R549 PolarHBondContact O-N 3.32Å; V537-R549 VanDerWaalsContact O-N 3.09Å; V537-V564 HydrophobicContact CG2-CB 3.98Å; V537-V564 HydrophobicContact CG2-CG1 3.46Å; V537-V564 VanDerWaalsContact CG2-CG1 3.46Å; V537-V564 HydrophobicContact CG2-CG2 4.05Å; V537-C569 HydrophobicContact CG1-CB 4.49Å; V537-L574 HydrophobicContact CB-CD2 4.4Å; V537-L574 HydrophobicContact CG1-CD2 4.17Å; V537-L574 HydrophobicContact CG2-CD2 3.85Å
538	K	55.6	Low	49.9	Very low	50 Å²	50	87 Å²	87	22%	0.217	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-76	130.1	169.7	-166.3	178.2	176.7	-179.9	0	109.8	V542 F548 D573	K538-V542 WeakPolarHBondContact CE-O 3.31Å; K538-V542 PolarHBondContact NZ-O 2.92Å; K538-F548 HydrophobicContact CB-CD1 4Å; K538-F548 HydrophobicContact CB-CE1 3.66Å; K538-F548 HydrophobicContact CB-CZ 4.36Å; K538-F548 HydrophobicContact CG-CE1 4.28Å; K538-D573 HydrophobicContact CB-CB 4.38Å; K538-D573 PolarHBondContact N-O 3.01Å
539	L	56.2	Low	50.4	Low	107 Å²	107	94.3 Å²	94.3	56%	0.56	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-67.2	141.3	170.1	-74.2	162.6	0	0	0	109.6	G541 V542	L539-G541 PolarHBondContact O-N 3.01Å; L539-V542 HydrophobicContact CB-CG2 3.53Å; L539-V542 WeakPolarHBondContact O-CG2 3.47Å
540	P	51.2	Low	51.1	Low	126 Å²	126	96.4 Å²	96.4	82%	0.818	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	132.6	175	-21.3	31.5	0	0	0	111.2
541	G	53.7	Low	52.1	Low	90 Å²	90	93.4 Å²	93.4	93%	0.928	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	3.9	171.7	0	0	0	0	0	117.5	L539	L539-G541 PolarHBondContact O-N 3.01Å
542	V	53.6	Low	53.1	Low	58 Å²	58	88.9 Å²	88.9	35%	0.352	44%	0.435	S	S	.	.			trans	-92.1	155.8	175.3	-101.5	0	0	0	0	113.9	K538 L539	K538-V542 WeakPolarHBondContact CE-O 3.31Å; K538-V542 PolarHBondContact NZ-O 2.92Å; L539-V542 HydrophobicContact CB-CG2 3.53Å; L539-V542 WeakPolarHBondContact O-CG2 3.47Å
543	R	42.4	Very low	53.8	Low	189 Å²	189	81.9 Å²	81.9	71%	0.713	41%	0.406	S	S	*	.			trans	-61.9	158.7	176.2	-72.3	-175.3	148.4	-173.3	-5	112.1	D545 S546	R543-D545 WeakPolarHBondContact CB-OD1 3.4Å; R543-D545 PolarHBondContact O-N 3.37Å; R543-S546 PolarHBondContact N-OG 3.24Å; R543-S546 VanDerWaalsContact O-CB 3.27Å; R543-S546 WeakPolarHBondContact O-CB 3.21Å; R543-S546 PolarHBondContact O-N 3.23Å; R543-S546 VanDerWaalsContact O-N 3.12Å; R543-S546 PolarHBondContact O-OG 2.97Å; R543-S546 VanDerWaalsContact O-OG 3.13Å
544	C	48.5	Very low	54.1	Low	35 Å²	35	83.3 Å²	83.3	24%	0.236	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.9	-176.4	-57.4	0	0	0	0	114	W363	W363-C544 HydrophobicContact CE3-CB 3.64Å; W363-C544 HydrophobicContact CZ3-CB 3.93Å
545	D	45.7	Very low	54.4	Low	84 Å²	84	80.6 Å²	80.6	45%	0.449	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	0.2	175.1	58.5	-6.9	0	0	0	113.5	R543	R543-D545 WeakPolarHBondContact CB-OD1 3.4Å; R543-D545 PolarHBondContact O-N 3.37Å
546	S	49.2	Very low	54.1	Low	37 Å²	37	85.7 Å²	85.7	26%	0.259	44%	0.444	S	S	.	.	S	Bend	trans	-76.4	136.4	179.4	-57.4	0	0	0	0	111.4	R543 F548	R543-S546 PolarHBondContact N-OG 3.24Å; R543-S546 VanDerWaalsContact O-CB 3.27Å; R543-S546 WeakPolarHBondContact O-CB 3.21Å; R543-S546 PolarHBondContact O-N 3.23Å; R543-S546 VanDerWaalsContact O-N 3.12Å; R543-S546 PolarHBondContact O-OG 2.97Å; R543-S546 VanDerWaalsContact O-OG 3.13Å; S546-F548 PolarHBondContact O-N 2.89Å
547	R	50.3	Low	53.8	Low	239 Å²	239	86.5 Å²	86.5	90%	0.902	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-59.6	131.8	-179	-71.6	-172.8	-174.3	-170	1.1	111.4
548	F	59	Low	53.6	Low	57 Å²	57	87.9 Å²	87.9	25%	0.25	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-77.1	142.1	173.1	-69.4	-111.4	0	0	0	110.7	R536 K538 S546 R575	R536-F548 HydrophobicContact CB-CB 3.52Å; R536-F548 HydrophobicContact CB-CD1 4.17Å; R536-F548 HydrophobicContact CB-CG 4.12Å; R536-F548 HydrophobicContact CG-CB 3.82Å; K538-F548 HydrophobicContact CB-CD1 4Å; K538-F548 HydrophobicContact CB-CE1 3.66Å; K538-F548 HydrophobicContact CB-CZ 4.36Å; K538-F548 HydrophobicContact CG-CE1 4.28Å; S546-F548 PolarHBondContact O-N 2.89Å; F548-R575 HydrophobicContact CD1-CG 4.03Å; F548-R575 HydrophobicContact CE1-CG 3.56Å; F548-R575 HydrophobicContact CZ-CG 4.06Å
549	R	58.4	Low	53.3	Low	182 Å²	182	97 Å²	97	69%	0.687	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	139	176.5	-175.1	-179.9	171.8	176.1	-0.6	110.5	R536 V537	R536-R549 CarbonylContact C-O 3.51Å; R536-R549 WeakPolarHBondContact CA-O 3.44Å; V537-R549 PolarHBondContact N-O 2.76Å; V537-R549 PolarHBondContact O-N 3.32Å; V537-R549 VanDerWaalsContact O-N 3.09Å
550	K	62.3	Low	52.9	Low	108 Å²	108	96.2 Å²	96.2	47%	0.47	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	135	172.6	-165.1	177.6	-174.2	-173.8	0	110.6	E534 V535	E534-K550 WeakPolarHBondContact OE1-CE 3.28Å; E534-K550 IonicContact OE1-NZ 3.87Å; E534-K550 PolarHBondContact OE1-NZ 3.17Å; E534-K550 WeakPolarHBondContact OE2-CE 3.46Å; E534-K550 IonicContact OE2-NZ 3.65Å; E534-K550 PolarHBondContact OE2-NZ 3.37Å; V535-K550 CarbonylContact O-C 3.48Å; V535-K550 WeakPolarHBondContact O-CA 3.49Å
551	G	65	Low	52.8	Low	3 Å²	3	91.2 Å²	91.2	3%	0.031	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	160.6	175.1	0	0	0	0	0	112	E534 V535 D565	E534-G551 WeakPolarHBondContact CA-O 3.22Å; V535-G551 PolarHBondContact N-O 3.4Å; V535-G551 PolarHBondContact O-N 2.82Å; G551-D565 WeakPolarHBondContact CA-OD2 3.48Å
552	T	63.2	Low	53.3	Low	52 Å²	52	87.3 Å²	87.3	32%	0.319	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132	-178.3	-55.7	0	0	0	0	110.7	P554 D565	T552-P554 WeakPolarHBondContact O-CD 3.46Å; T552-D565 PolarHBondContact N-OD1 2.8Å; T552-D565 PolarHBondContact O-N 2.77Å; T552-D565 VanDerWaalsContact O-N 3.16Å
553	V	56.4	Low	53.7	Low	13 Å²	13	87 Å²	87	8%	0.079	41%	0.412	C	S	.	.			trans	-88.9	105.3	171	175.8	0	0	0	0	109.7	Y533 V535 G555 V562 V564 L574	Y533-V553 PolarHBondContact O-N 3.22Å; Y533-V553 VanDerWaalsContact O-N 3.14Å; V535-V553 HydrophobicContact CB-CG2 4.43Å; V535-V553 HydrophobicContact CG1-CG2 3.83Å; V535-V553 HydrophobicContact CG2-CG2 3.68Å; V553-G555 VanDerWaalsContact C-N 3.33Å; V553-V562 HydrophobicContact CB-CG1 4.03Å; V553-V562 HydrophobicContact CG1-CG1 3.19Å; V553-V562 HydrophobicContact CG2-CG1 3.65Å; V553-V564 HydrophobicContact CG2-CG2 4.04Å; V553-L574 HydrophobicContact CG2-CD1 4.24Å
554	P	53	Low	54.9	Low	100 Å²	100	78.3 Å²	78.3	65%	0.649	38%	0.38	S	S	*	.			trans	-74.2	-22	171.2	26.9	-36.7	0	0	0	113.5	T552 I563	T552-P554 WeakPolarHBondContact O-CD 3.46Å; P554-I563 VanDerWaalsContact CD-O 3.32Å; P554-I563 WeakPolarHBondContact CD-O 3.2Å; P554-I563 HydrophobicContact CG-CG2 4.43Å
555	G	51	Low	55.8	Low	24 Å²	24	81.1 Å²	81.1	25%	0.247	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.3	172.4	-178.4	0	0	0	0	0	114.5	V553	V553-G555 VanDerWaalsContact C-N 3.33Å
556	L	50.5	Low	56.7	Low	118 Å²	118	79.8 Å²	79.8	62%	0.618	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.5	-178.4	-149.8	91.1	0	0	0	111.1	S558 V562	L556-S558 VanDerWaalsContact CD2-O 3.28Å; L556-S558 WeakPolarHBondContact CD2-O 3.43Å; L556-S558 VanDerWaalsContact CG-O 3.32Å; L556-S558 WeakPolarHBondContact CG-O 3.12Å; L556-V562 HydrophobicContact CD1-CG2 3.86Å; L556-V562 HydrophobicContact CG-CG2 4.49Å
557	H	48.4	Very low	57.6	Low	122 Å²	122	83.4 Å²	83.4	57%	0.565	42%	0.415	S	S	*	.	S	Bend	trans	-90.7	-40.2	173.3	-165.2	39.8	0	0	0	111.5	A561 I563	H557-A561 CarbonylContact C-O 3.58Å; H557-A561 WeakPolarHBondContact CA-O 3.44Å; H557-A561 WeakPolarHBondContact CB-O 3.25Å; H557-A561 PolarHBondContact N-O 3.12Å; H557-I563 HydrophobicContact CB-CG1 3.86Å
558	S	52.7	Low	58.1	Low	52 Å²	52	76.1 Å²	76.1	36%	0.364	40%	0.399	S	S	.	.	S	Bend	trans	-156.9	176.9	175.2	84.3	0	0	0	0	110.1	L556 Q560 A561	L556-S558 VanDerWaalsContact CD2-O 3.28Å; L556-S558 WeakPolarHBondContact CD2-O 3.43Å; L556-S558 VanDerWaalsContact CG-O 3.32Å; L556-S558 WeakPolarHBondContact CG-O 3.12Å; S558-Q560 PolarHBondContact O-N 2.82Å; S558-Q560 PolarHBondContact OG-N 2.85Å; S558-A561 PolarHBondContact N-O 3.43Å; S558-A561 PolarHBondContact O-N 3.25Å; S558-A561 PolarHBondContact OG-N 3.34Å
559	R	48.7	Very low	58.2	Low	240 Å²	240	74.5 Å²	74.5	91%	0.906	39%	0.394	S	S	*	.	S	Bend	trans	-57.7	-21.2	175	-73	-173.6	176.5	-176	-0.7	114.3
560	Q	48.8	Very low	58.5	Low	92 Å²	92	70.6 Å²	70.6	43%	0.43	38%	0.384	S	S	.	.	S	Bend	trans	-121.6	-7.5	-173.8	-68	170.3	-27.5	0	0	112.9	S558 H570 V571	S558-Q560 PolarHBondContact O-N 2.82Å; S558-Q560 PolarHBondContact OG-N 2.85Å; Q560-H570 CarbonylContact O-C 3.47Å; Q560-H570 WeakPolarHBondContact O-CA 3.06Å; Q560-H570 PolarHBondContact O-CD2 3.44Å; Q560-V571 PolarHBondContact O-N 2.99Å
561	A	48.9	Very low	58.1	Low	20 Å²	20	68.6 Å²	68.6	17%	0.165	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.2	-178.4	0	0	0	0	0	111.7	H557 S558 C569	H557-A561 CarbonylContact C-O 3.58Å; H557-A561 WeakPolarHBondContact CA-O 3.44Å; H557-A561 WeakPolarHBondContact CB-O 3.25Å; H557-A561 PolarHBondContact N-O 3.12Å; S558-A561 PolarHBondContact N-O 3.43Å; S558-A561 PolarHBondContact O-N 3.25Å; S558-A561 PolarHBondContact OG-N 3.34Å; A561-C569 CarbonylContact C-O 3.58Å; A561-C569 VanDerWaalsContact CA-O 3.24Å; A561-C569 WeakPolarHBondContact CA-O 3.22Å
562	V	63.5	Low	57.6	Low	9 Å²	9	69.5 Å²	69.5	6%	0.055	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.3	-175.2	174.5	0	0	0	0	107.9	V553 L556 V564 C569 V571 L574	V553-V562 HydrophobicContact CB-CG1 4.03Å; V553-V562 HydrophobicContact CG1-CG1 3.19Å; V553-V562 HydrophobicContact CG2-CG1 3.65Å; L556-V562 HydrophobicContact CD1-CG2 3.86Å; L556-V562 HydrophobicContact CG-CG2 4.49Å; V562-V564 PolarHBondContact O-N 3.4Å; V562-C569 PolarHBondContact N-O 3.08Å; V562-C569 PolarHBondContact O-N 3.16Å; V562-V571 HydrophobicContact CG2-CG2 3.64Å; V562-L574 HydrophobicContact CB-CD1 3.7Å; V562-L574 HydrophobicContact CG1-CD1 3.85Å; V562-L574 HydrophobicContact CG2-CD1 4.17Å
563	I	61	Low	57.3	Low	52 Å²	52	70.1 Å²	70.1	27%	0.267	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	124.9	174.4	-55.2	-168.2	0	0	0	107.5	P554 H557 G566 N567	P554-I563 VanDerWaalsContact CD-O 3.32Å; P554-I563 WeakPolarHBondContact CD-O 3.2Å; P554-I563 HydrophobicContact CG-CG2 4.43Å; H557-I563 HydrophobicContact CB-CG1 3.86Å; I563-G566 VanDerWaalsContact CG2-C 3.45Å; I563-G566 VanDerWaalsContact CG2-CA 3.45Å; I563-N567 CarbonylContact C-O 3.58Å; I563-N567 WeakPolarHBondContact CA-O 3.31Å
564	V	68.5	Low	57.1	Low	5 Å²	5	70.7 Å²	70.7	3%	0.03	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.6	169.1	-170.2	0	0	0	0	109	V535 V537 V553 V562 G566 N567 C569 L574	V535-V564 HydrophobicContact CG2-CG1 3.93Å; V535-V564 HydrophobicContact CG2-CG2 4Å; V537-V564 HydrophobicContact CG2-CB 3.98Å; V537-V564 HydrophobicContact CG2-CG1 3.46Å; V537-V564 VanDerWaalsContact CG2-CG1 3.46Å; V537-V564 HydrophobicContact CG2-CG2 4.05Å; V553-V564 HydrophobicContact CG2-CG2 4.04Å; V562-V564 PolarHBondContact O-N 3.4Å; V564-G566 PolarHBondContact O-N 3.23Å; V564-N567 PolarHBondContact N-O 2.77Å; V564-N567 PolarHBondContact O-N 2.68Å; V564-C569 HydrophobicContact CG2-CB 4.11Å; V564-L574 HydrophobicContact CG2-CD1 4Å; V564-L574 HydrophobicContact CG2-CD2 3.47Å; V564-L574 VanDerWaalsContact CG2-CD2 3.47Å; V564-L574 HydrophobicContact CG2-CG 4.4Å
565	D	67.4	Low	57.2	Low	95 Å²	95	69.5 Å²	69.5	51%	0.508	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	31.7	-177.6	-54.6	-32.4	0	0	0	114.3	G551 T552	G551-D565 WeakPolarHBondContact CA-OD2 3.48Å; T552-D565 PolarHBondContact N-OD1 2.8Å; T552-D565 PolarHBondContact O-N 2.77Å; T552-D565 VanDerWaalsContact O-N 3.16Å
566	G	65.2	Low	56.9	Low	56 Å²	56	72.9 Å²	72.9	58%	0.577	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.2	-10.3	-178.9	0	0	0	0	0	115.7	I563 V564	I563-G566 VanDerWaalsContact CG2-C 3.45Å; I563-G566 VanDerWaalsContact CG2-CA 3.45Å; V564-G566 PolarHBondContact O-N 3.23Å
567	N	66.8	Low	56.5	Low	113 Å²	113	68.2 Å²	68.2	60%	0.604	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.3	-179.6	-68	-35.3	0	0	0	112.1	I563 V564 C569	I563-N567 CarbonylContact C-O 3.58Å; I563-N567 WeakPolarHBondContact CA-O 3.31Å; V564-N567 PolarHBondContact N-O 2.77Å; V564-N567 PolarHBondContact O-N 2.68Å; N567-C569 PolarHBondContact O-N 2.73Å
568	P	62.2	Low	56.3	Low	86 Å²	86	65.8 Å²	65.8	56%	0.558	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	118.5	173	26.6	-30.2	0	0	0	110.5
569	C	59.5	Low	55.3	Low	23 Å²	23	69.6 Å²	69.6	16%	0.155	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.4	175.4	-61.9	0	0	0	0	109.3	V537 A561 V562 V564 N567 L574	V537-C569 HydrophobicContact CG1-CB 4.49Å; A561-C569 CarbonylContact C-O 3.58Å; A561-C569 VanDerWaalsContact CA-O 3.24Å; A561-C569 WeakPolarHBondContact CA-O 3.22Å; V562-C569 PolarHBondContact N-O 3.08Å; V562-C569 PolarHBondContact O-N 3.16Å; V564-C569 HydrophobicContact CG2-CB 4.11Å; N567-C569 PolarHBondContact O-N 2.73Å; C569-L574 HydrophobicContact CB-CD2 3.88Å
570	H	65.1	Low	54.7	Low	99 Å²	99	61.9 Å²	61.9	46%	0.458	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	141.9	173.1	-173.3	-98.2	0	0	0	109.5	Q560 G572 D573	Q560-H570 CarbonylContact O-C 3.47Å; Q560-H570 WeakPolarHBondContact O-CA 3.06Å; Q560-H570 PolarHBondContact O-CD2 3.44Å; H570-G572 PolarHBondContact ND1-N 3.21Å; H570-G572 PolarHBondContact O-N 3.02Å; H570-G572 VanDerWaalsContact O-N 3.08Å; H570-D573 PolarHBondContact O-N 3.35Å
571	V	55.3	Low	53.8	Low	66 Å²	66	66.1 Å²	66.1	40%	0.4	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-54.3	-33.5	179.9	172.8	0	0	0	0	111.2	Q560 V562 D573 L574	Q560-V571 PolarHBondContact O-N 2.99Å; V562-V571 HydrophobicContact CG2-CG2 3.64Å; V571-D573 VanDerWaalsContact C-N 3.25Å; V571-D573 PolarHBondContact O-N 3.08Å; V571-L574 PolarHBondContact O-N 3.25Å
572	G	53.3	Low	52.9	Low	22 Å²	22	73.1 Å²	73.1	23%	0.227	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-67.9	-14.9	177.1	0	0	0	0	0	115.7	H570 R575	H570-G572 PolarHBondContact ND1-N 3.21Å; H570-G572 PolarHBondContact O-N 3.02Å; H570-G572 VanDerWaalsContact O-N 3.08Å; G572-R575 PolarHBondContact O-NH1 3.38Å
573	D	57.5	Low	51.3	Low	65 Å²	65	77.2 Å²	77.2	35%	0.348	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-93.9	-3.2	177.2	-62.4	-36.6	0	0	0	112.8	K538 H570 V571	K538-D573 HydrophobicContact CB-CB 4.38Å; K538-D573 PolarHBondContact N-O 3.01Å; H570-D573 PolarHBondContact O-N 3.35Å; V571-D573 VanDerWaalsContact C-N 3.25Å; V571-D573 PolarHBondContact O-N 3.08Å
574	L	50.9	Low	49.9	Very low	25 Å²	25	84 Å²	84	13%	0.131	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	139.1	179.9	-53.5	-172.9	0	0	0	110.6	V535 R536 V537 V553 V562 V564 C569 V571	V535-L574 HydrophobicContact CB-CB 4.36Å; V535-L574 HydrophobicContact CG1-CB 4.44Å; V535-L574 HydrophobicContact CG2-CD2 4.02Å; R536-L574 CarbonylContact O-C 3.6Å; V537-L574 HydrophobicContact CB-CD2 4.4Å; V537-L574 HydrophobicContact CG1-CD2 4.17Å; V537-L574 HydrophobicContact CG2-CD2 3.85Å; V553-L574 HydrophobicContact CG2-CD1 4.24Å; V562-L574 HydrophobicContact CB-CD1 3.7Å; V562-L574 HydrophobicContact CG1-CD1 3.85Å; V562-L574 HydrophobicContact CG2-CD1 4.17Å; V564-L574 HydrophobicContact CG2-CD1 4Å; V564-L574 HydrophobicContact CG2-CD2 3.47Å; V564-L574 VanDerWaalsContact CG2-CD2 3.47Å; V564-L574 HydrophobicContact CG2-CG 4.4Å; C569-L574 HydrophobicContact CB-CD2 3.88Å; V571-L574 PolarHBondContact O-N 3.25Å
575	R	56.9	Low	47.9	Very low	76 Å²	76	89.2 Å²	89.2	29%	0.287	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.9	172.1	-62.8	-65.8	178.9	-81.9	-0.3	109.2	V535 R536 F548 G572	V535-R575 CarbonylContact C-O 3.55Å; V535-R575 WeakPolarHBondContact CA-O 3.28Å; V535-R575 VanDerWaalsContact CB-O 3.23Å; V535-R575 WeakPolarHBondContact CB-O 3.45Å; R536-R575 HydrophobicContact CB-CB 3.96Å; R536-R575 PolarHBondContact N-O 3.39Å; R536-R575 PolarHBondContact O-N 3.48Å; F548-R575 HydrophobicContact CD1-CG 4.03Å; F548-R575 HydrophobicContact CE1-CG 3.56Å; F548-R575 HydrophobicContact CZ-CG 4.06Å; G572-R575 PolarHBondContact O-NH1 3.38Å
576	H	44.5	Very low	46	Very low	95 Å²	95	88.4 Å²	88.4	44%	0.44	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	142	178.6	-170.2	-95.6	0	0	0	110.7	Y533	Y533-H576 AromaticContact CD1-CD2 3.72Å; Y533-H576 AromaticContact CD1-NE2 3.63Å
577	C	40.7	Very low	44.2	Very low	20 Å²	20	94.5 Å²	94.5	14%	0.135	54%	0.538	C	S	.	.			trans	-88.2	106.6	170.8	-151.5	0	0	0	0	108.6	E534 T579	E534-C577 HydrophobicContact CB-CB 3.84Å; E534-C577 WeakPolarHBondContact O-CB 3.32Å; E534-C577 PolarHBondContact O-N 3.28Å; C577-T579 PolarHBondContact O-N 3.5Å
578	T	44.6	Very low	42.5	Very low	71 Å²	71	95 Å²	95	44%	0.436	55%	0.547	S	S	.	.			trans	-72.6	121.1	165.7	38.5	0	0	0	0	108.1	A580	T578-A580 PolarHBondContact O-N 3.17Å
579	T	32.5	Very low	40.8	Very low	131 Å²	131	100.3 Å²	100.3	80%	0.804	56%	0.564	S	S	*	*			trans	-70.9	73.2	168.9	40	0	0	0	0	108.9	C577	C577-T579 PolarHBondContact O-N 3.5Å
580	A	36	Very low	39.2	Very low	78 Å²	78	102.5 Å²	102.5	65%	0.645	59%	0.591	S	S	*	*			trans	-95.7	115.3	151.4	0	0	0	0	0	105.3	T578 E582	T578-A580 PolarHBondContact O-N 3.17Å; A580-E582 VanDerWaalsContact C-N 3.33Å; A580-E582 PolarHBondContact O-N 2.96Å
581	E	30.3	Very low	37.4	Very low	182 Å²	182	106.9 Å²	106.9	85%	0.85	61%	0.612	S	S	*	*			trans	-58.3	94.8	173.9	-64.7	179	156.9	0	0	108.8	S583	E581-S583 PolarHBondContact O-N 3.23Å
582	E	30.1	Very low	36.1	Very low	166 Å²	166	110.4 Å²	110.4	78%	0.776	63%	0.629	S	S	*	*			trans	-73.5	82.9	155.9	-78.7	179.5	-173.8	0	0	106.1	A580 E584	A580-E582 VanDerWaalsContact C-N 3.33Å; A580-E582 PolarHBondContact O-N 2.96Å; E582-E584 PolarHBondContact O-N 3.01Å
583	S	29.6	Very low	35	Very low	95 Å²	95	118.1 Å²	118.1	66%	0.664	66%	0.658	S	S	*	*			trans	-53.5	109.6	162.2	-64	0	0	0	0	107.8	E581 S585	E581-S583 PolarHBondContact O-N 3.23Å; S583-S585 PolarHBondContact O-N 3.3Å
584	E	32	Very low	33.6	Very low	196 Å²	196	120.9 Å²	120.9	92%	0.916	67%	0.674	S	S	*	*	S	Bend	trans	-60.7	87.6	165	-73.2	-177.1	155.7	0	0	108.6	E582	E582-E584 PolarHBondContact O-N 3.01Å
585	S	25.9	Very low	32.5	Very low	113 Å²	113	127.3 Å²	127.3	79%	0.79	71%	0.708	S	S	*	*			trans	159.2	126.4	151.7	46.1	0	0	0	0	110.8	S583	S583-S585 PolarHBondContact O-N 3.3Å
586	G	28.1	Very low	31.3	Very low	78 Å²	78	128.3 Å²	128.3	80%	0.804	72%	0.719	S	S	*	*			trans	151.2	99.7	168	0	0	0	0	0	113.2
587	Q	25.6	Very low	30.7	Very low	185 Å²	185	126.4 Å²	126.4	86%	0.864	71%	0.712	S	S	*	*			trans	-53.1	160.1	175.5	-97.4	158.5	-102.7	0	0	114.7	E589	Q587-E589 PolarHBondContact O-N 3.02Å
588	P	32.5	Very low	30.6	Very low	124 Å²	124	129.5 Å²	129.5	81%	0.805	72%	0.723	S	S	*	*			trans	-81	119.3	-175.3	32.7	-29.5	0	0	0	110.4
589	E	25.2	Very low	30.4	Very low	196 Å²	196	126.5 Å²	126.5	92%	0.916	70%	0.704	S	S	*	*			trans	-131.6	131.6	165.3	-75.1	-168.9	165.8	0	0	109.7	Q587	Q587-E589 PolarHBondContact O-N 3.02Å
590	G	26.2	Very low	30.8	Very low	70 Å²	70	123.5 Å²	123.5	72%	0.722	68%	0.684	S	S	*	*			trans	112.4	83.1	168.4	0	0	0	0	0	114.1	D592	G590-D592 PolarHBondContact O-N 2.8Å
591	E	27.5	Very low	31.1	Very low	191 Å²	191	120.3 Å²	120.3	89%	0.893	66%	0.655	S	S	*	*			trans	-63.1	78.1	157.1	-70.2	-177.5	155.4	0	0	109.3	Q593	E591-Q593 PolarHBondContact O-N 2.79Å
592	D	27.9	Very low	31.4	Very low	140 Å²	140	115.3 Å²	115.3	75%	0.749	64%	0.638	S	S	*	*			trans	-77.2	107.2	160	-86.6	-19.5	0	0	0	107	G590 N594	G590-D592 PolarHBondContact O-N 2.8Å; D592-N594 PolarHBondContact O-N 3.44Å
593	Q	29.7	Very low	31.7	Very low	183 Å²	183	109 Å²	109	86%	0.855	62%	0.619	S	S	*	*			trans	-61.9	72.7	165.6	-66.8	176.8	0.5	0	0	109	E591	E591-Q593 PolarHBondContact O-N 2.79Å
594	N	29.1	Very low	31.9	Very low	124 Å²	124	115.7 Å²	115.7	66%	0.663	63%	0.629	S	S	*	*			trans	-81	135.8	160.8	-93.9	-27.7	0	0	0	107.6	D592 D596	D592-N594 PolarHBondContact O-N 3.44Å; N594-D596 WeakPolarHBondContact O-CB 3.28Å; N594-D596 PolarHBondContact O-N 3.42Å
595	D	27.9	Very low	31.9	Very low	160 Å²	160	112.8 Å²	112.8	86%	0.856	63%	0.625	S	S	*	*			trans	-60.7	77.7	174	-64.1	-50.2	0	0	0	110.1
596	D	30.7	Very low	32.3	Very low	96 Å²	96	111.7 Å²	111.7	51%	0.513	62%	0.622	S	S	.	*			trans	-87.7	131	-169.2	-118.4	33.4	0	0	0	110.1	R371 N594 F598	R371-D596 IonicContact CZ-OD2 2.86Å; R371-D596 IonicContact NH1-OD2 3.88Å; R371-D596 PolarHBondContact NH1-OD2 2.81Å; R371-D596 IonicContact NH2-OD2 3.67Å; R371-D596 PolarHBondContact NH2-OD2 3.36Å; N594-D596 WeakPolarHBondContact O-CB 3.28Å; N594-D596 PolarHBondContact O-N 3.42Å; D596-F598 VanDerWaalsContact O-CE2 3.29Å; D596-F598 WeakPolarHBondContact O-CE2 3.45Å
597	L	33.6	Very low	32.5	Very low	55 Å²	55	113.4 Å²	113.4	29%	0.288	62%	0.622	S	S	.	*			trans	-131.8	143.1	-156.8	-166.7	126.4	0	0	0	113.4	T459 T461	T459-L597 VanDerWaalsContact CA-CD2 3.44Å; T459-L597 HydrophobicContact CG2-CD1 3.14Å; T459-L597 HydrophobicContact CG2-CD2 3.4Å; T459-L597 HydrophobicContact CG2-CG 3.72Å; T459-L597 WeakPolarHBondContact O-CD2 3.49Å; T459-L597 WeakPolarHBondContact OG1-CD1 3.26Å; T459-L597 WeakPolarHBondContact OG1-CD2 2.89Å; T459-L597 WeakPolarHBondContact OG1-CG 3.31Å; T461-L597 HydrophobicContact CG2-CB 3.98Å; T461-L597 HydrophobicContact CG2-CD2 4.26Å
598	F	37.6	Very low	32.7	Very low	85 Å²	85	114.6 Å²	114.6	37%	0.373	64%	0.642	S	S	.	*			trans	-130.5	143.6	-159.9	-58.4	-93.2	0	0	0	112	T369 D596	T369-F598 HydrophobicContact CG2-CB 4.23Å; T369-F598 HydrophobicContact CG2-CD1 4.28Å; D596-F598 VanDerWaalsContact O-CE2 3.29Å; D596-F598 WeakPolarHBondContact O-CE2 3.45Å
599	V	40.7	Very low	32.7	Very low	8 Å²	8	114.2 Å²	114.2	5%	0.048	63%	0.634	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.5	107.8	162.5	-177.6	0	0	0	0	108.7	T369 A370 P372 D457 I458 F601	T369-V599 VanDerWaalsContact CA-O 3.29Å; T369-V599 WeakPolarHBondContact CA-O 3.47Å; A370-V599 PolarHBondContact N-O 3.26Å; A370-V599 VanDerWaalsContact N-O 3.15Å; A370-V599 WeakPolarHBondContact O-CB 3.36Å; A370-V599 PolarHBondContact O-N 3.47Å; A370-V599 VanDerWaalsContact O-N 3.07Å; P372-V599 HydrophobicContact CG-CG2 4.39Å; D457-V599 VanDerWaalsContact O-CA 3.23Å; D457-V599 WeakPolarHBondContact O-CA 2.76Å; I458-V599 HydrophobicContact CG1-CG1 4.21Å; V599-F601 HydrophobicContact CB-CE2 4.13Å; V599-F601 HydrophobicContact CB-CZ 4.4Å; V599-F601 HydrophobicContact CG1-CD2 4.43Å; V599-F601 HydrophobicContact CG1-CE1 4.29Å; V599-F601 HydrophobicContact CG1-CE2 3.69Å; V599-F601 HydrophobicContact CG1-CZ 3.61Å
600	N	39.9	Very low	33.1	Very low	69 Å²	69	109.8 Å²	109.8	37%	0.369	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.7	121.7	176.5	-73.9	-53.5	0	0	0	111	N368 T369 D457	N368-N600 CarbonylContact O-C 3.5Å; N368-N600 VanDerWaalsContact O-CA 3.28Å; N368-N600 WeakPolarHBondContact O-CA 3.23Å; T369-N600 WeakPolarHBondContact CG2-OD1 3.32Å; D457-N600 HydrophobicContact CB-CB 3.97Å; D457-N600 PolarHBondContact N-O 2.9Å; D457-N600 PolarHBondContact O-N 3.48Å; D457-N600 VanDerWaalsContact O-N 3.12Å
601	F	43.5	Very low	33.5	Very low	11 Å²	11	112.1 Å²	112.1	5%	0.048	61%	0.614	C	S	.	*	P	Polyproline II helix	trans	-94.8	130.9	170.5	-60.3	-87.2	0	0	0	108.8	N368 A370 A421 L422 F425 L456 V599 G603	N368-F601 WeakPolarHBondContact CB-O 3.31Å; N368-F601 PolarHBondContact ND2-O 3.18Å; N368-F601 WeakPolarHBondContact O-CD2 3.43Å; N368-F601 PolarHBondContact O-N 3.12Å; A370-F601 HydrophobicContact CB-CE2 3.94Å; A421-F601 HydrophobicContact CB-CZ 4Å; L422-F601 HydrophobicContact CD2-CE1 4.2Å; F425-F601 HydrophobicContact CB-CD1 4.08Å; F425-F601 HydrophobicContact CB-CE1 4.42Å; F425-F601 HydrophobicContact CB-CG 4.26Å; F425-F601 HydrophobicContact CD1-CD2 4.27Å; F425-F601 HydrophobicContact CD1-CG 4.36Å; F425-F601 AromaticContact CD2-CD1 3.8Å; F425-F601 HydrophobicContact CD2-CD1 3.8Å; F425-F601 AromaticContact CD2-CD2 3.39Å; F425-F601 HydrophobicContact CD2-CD2 3.39Å; F425-F601 AromaticContact CD2-CE1 3.64Å; F425-F601 HydrophobicContact CD2-CE1 3.64Å; F425-F601 AromaticContact CD2-CE2 3.24Å; F425-F601 HydrophobicContact CD2-CE2 3.24Å; F425-F601 AromaticContact CD2-CG 3.69Å; F425-F601 HydrophobicContact CD2-CG 3.69Å; F425-F601 AromaticContact CD2-CZ 3.37Å; F425-F601 HydrophobicContact CD2-CZ 3.37Å; F425-F601 HydrophobicContact CE1-CD2 4.23Å; F425-F601 AromaticContact CE2-CD2 3.37Å; F425-F601 HydrophobicContact CE2-CD2 3.37Å; F425-F601 HydrophobicContact CE2-CE1 4.32Å; F425-F601 AromaticContact CE2-CE2 3.07Å; F425-F601 HydrophobicContact CE2-CE2 3.07Å; F425-F601 HydrophobicContact CE2-CG 4.15Å; F425-F601 AromaticContact CE2-CZ 3.62Å; F425-F601 HydrophobicContact CE2-CZ 3.62Å; F425-F601 HydrophobicContact CG-CB 4.44Å; F425-F601 HydrophobicContact CG-CD1 4.03Å; F425-F601 AromaticContact CG-CD2 3.88Å; F425-F601 HydrophobicContact CG-CD2 3.88Å; F425-F601 HydrophobicContact CG-CE1 4.29Å; F425-F601 HydrophobicContact CG-CE2 4.19Å; F425-F601 AromaticContact CG-CG 3.83Å; F425-F601 HydrophobicContact CG-CG 3.83Å; F425-F601 HydrophobicContact CG-CZ 4.38Å; F425-F601 AromaticContact CZ-CD2 3.8Å; F425-F601 HydrophobicContact CZ-CD2 3.8Å; F425-F601 AromaticContact CZ-CE2 3.88Å; F425-F601 HydrophobicContact CZ-CE2 3.88Å; L456-F601 HydrophobicContact CD2-CD1 3.4Å; L456-F601 HydrophobicContact CD2-CE1 3.59Å; L456-F601 HydrophobicContact CD2-CG 4.28Å; V599-F601 HydrophobicContact CB-CE2 4.13Å; V599-F601 HydrophobicContact CB-CZ 4.4Å; V599-F601 HydrophobicContact CG1-CD2 4.43Å; V599-F601 HydrophobicContact CG1-CE1 4.29Å; V599-F601 HydrophobicContact CG1-CE2 3.69Å; V599-F601 HydrophobicContact CG1-CZ 3.61Å; F601-G603 PolarHBondContact O-N 3.23Å; F601-G603 VanDerWaalsContact O-N 3.15Å
602	P	36.8	Very low	33.8	Very low	76 Å²	76	107.4 Å²	107.4	49%	0.494	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-62	122.5	174.9	22.2	-29.9	0	0	0	110	Y454 R604	Y454-P602 WeakPolarHBondContact O-CG 3.42Å; P602-R604 PolarHBondContact O-N 3.47Å
603	G	35.6	Very low	34.2	Very low	35 Å²	35	105.4 Å²	105.4	36%	0.361	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-62.4	126.5	177.7	0	0	0	0	0	110.6	N368 F601 V605	N368-G603 WeakPolarHBondContact ND2-CA 3.38Å; N368-G603 PolarHBondContact ND2-N 2.81Å; N368-G603 VanDerWaalsContact ND2-N 3.12Å; N368-G603 VanDerWaalsContact OD1-CA 3.29Å; N368-G603 WeakPolarHBondContact OD1-CA 3.46Å; F601-G603 PolarHBondContact O-N 3.23Å; F601-G603 VanDerWaalsContact O-N 3.15Å; G603-V605 PolarHBondContact O-N 3.13Å; G603-V605 VanDerWaalsContact O-N 3.08Å
604	R	34.5	Very low	34.5	Very low	234 Å²	234	100.2 Å²	100.2	88%	0.883	57%	0.57	S	S	*	*			trans	-65.1	111.6	165.3	-93	-176.4	171.5	-172.9	-1.7	108	P602 A606	P602-R604 PolarHBondContact O-N 3.47Å; R604-A606 PolarHBondContact O-N 3.44Å; R604-A606 VanDerWaalsContact O-N 3.08Å
605	V	31.8	Very low	34.9	Very low	136 Å²	136	98.5 Å²	98.5	82%	0.824	56%	0.563	S	S	*	*			trans	-54.6	116	159	-178.6	0	0	0	0	105.6	G603 S607	G603-V605 PolarHBondContact O-N 3.13Å; G603-V605 VanDerWaalsContact O-N 3.08Å; V605-S607 PolarHBondContact O-N 3.06Å
606	A	33.6	Very low	35.4	Very low	89 Å²	89	93.8 Å²	93.8	74%	0.736	54%	0.541	S	S	*	.			trans	-59.5	106.4	171.5	0	0	0	0	0	107	R604 T608	R604-A606 PolarHBondContact O-N 3.44Å; R604-A606 VanDerWaalsContact O-N 3.08Å; A606-T608 PolarHBondContact O-N 3.18Å; A606-T608 VanDerWaalsContact O-N 3.12Å
607	S	32.7	Very low	35.8	Very low	115 Å²	115	93.6 Å²	93.6	80%	0.804	54%	0.543	S	S	*	.			trans	-63.1	112.3	160.6	53.9	0	0	0	0	106	V605	V605-S607 PolarHBondContact O-N 3.06Å
608	T	29.3	Very low	36	Very low	210 Å²	210	97.1 Å²	97.1	100%	1.288	57%	0.566	S	S	*	*			trans	-41.7	0	171.4	43.2	0	0	0	0	113.5	A606	A606-T608 PolarHBondContact O-N 3.18Å; A606-T608 VanDerWaalsContact O-N 3.12Å

Retrieved 608 of 608 residues in 141.2 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).