A0A096LUJ7_POEFO Loading...

Influenza virus NS1A binding protein a

AlphaFold DB , UniProt , Accession A0A096LUJ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 650 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.9	Very low	71.1	Confident	242 Å²	242	137.8 Å²	137.8	100%	1.192	74%	0.736	S	S	*	*				0	115.1	0	-76.7	176.8	178.9	0	0	106.6	P3	M1-P3 VanDerWaalsContact O-CD 3.3Å; M1-P3 WeakPolarHBondContact O-CD 3.35Å
2	T	47	Very low	72.5	Confident	109 Å²	109	141.1 Å²	141.1	67%	0.669	74%	0.743	S	S	*	*			trans	-84.7	107.4	-178.5	34.9	0	0	0	0	109.7	N4	T2-N4 PolarHBondContact O-N 3.24Å
3	P	52.7	Low	73.8	Confident	110 Å²	110	137.5 Å²	137.5	71%	0.714	73%	0.731	S	S	*	*	S	Bend	trans	-80.8	115.5	168.7	4.2	16.7	0	0	0	106.7	M1	M1-P3 VanDerWaalsContact O-CD 3.3Å; M1-P3 WeakPolarHBondContact O-CD 3.35Å
4	N	57.3	Low	75	Confident	148 Å²	148	136.4 Å²	136.4	79%	0.791	72%	0.717	S	S	*	*	S	Bend	trans	90.9	13.7	172.1	-50.7	-20.8	0	0	0	119.6	T2 Y6	T2-N4 PolarHBondContact O-N 3.24Å; N4-Y6 VanDerWaalsContact C-N 3.32Å; N4-Y6 VanDerWaalsContact O-CD2 3.26Å; N4-Y6 WeakPolarHBondContact O-CD2 3.19Å; N4-Y6 PolarHBondContact O-N 3Å
5	G	73.4	Confident	75.7	Confident	69 Å²	69	135.7 Å²	135.7	71%	0.711	71%	0.713	S	S	*	*	S	Bend	trans	73.9	9.2	163.7	0	0	0	0	0	117.3
6	Y	74.4	Confident	76.3	Confident	188 Å²	188	135.1 Å²	135.1	74%	0.737	71%	0.71	S	S	*	*			trans	-116.6	145	171.4	-63.5	-81.5	0	0	0	111.1	N4	N4-Y6 VanDerWaalsContact C-N 3.32Å; N4-Y6 VanDerWaalsContact O-CD2 3.26Å; N4-Y6 WeakPolarHBondContact O-CD2 3.19Å; N4-Y6 PolarHBondContact O-N 3Å
7	L	83.4	Confident	77	Confident	164 Å²	164	130.3 Å²	130.3	86%	0.859	69%	0.691	S	S	*	*			trans	-86.4	112.1	165.2	177.3	66.7	0	0	0	107.8
8	I	81.6	Confident	77.6	Confident	134 Å²	134	125.1 Å²	125.1	69%	0.687	67%	0.665	S	S	*	*			trans	-106.2	125.8	171.4	-58.4	174.7	0	0	0	106.5
9	F	88.1	Confident	78.2	Confident	156 Å²	156	121.4 Å²	121.4	68%	0.684	65%	0.648	S	S	*	*			trans	-129.9	115.8	175.9	169.8	-113.3	0	0	0	108.5	D11	F9-D11 HydrophobicContact CD1-CB 4.43Å; F9-D11 HydrophobicContact CE1-CB 3.6Å; F9-D11 HydrophobicContact CZ-CB 3.76Å
10	D	87.9	Confident	78.7	Confident	130 Å²	130	118.3 Å²	118.3	70%	0.695	64%	0.64	S	S	*	*			trans	-100.8	106.8	176.1	-61.3	-50.5	0	0	0	108.4	E12	D10-E12 PolarHBondContact O-N 3.19Å
11	D	90.4	Very high	79.4	Confident	66 Å²	66	119 Å²	119	35%	0.353	64%	0.636	S	S	.	*			trans	-85.8	91.9	174	-170.4	-15	0	0	0	109.9	F9 T13 F14	F9-D11 HydrophobicContact CD1-CB 4.43Å; F9-D11 HydrophobicContact CE1-CB 3.6Å; F9-D11 HydrophobicContact CZ-CB 3.76Å; D11-T13 PolarHBondContact O-N 3.44Å; D11-T13 VanDerWaalsContact O-N 3.12Å; D11-T13 PolarHBondContact OD1-N 3.43Å; D11-T13 PolarHBondContact OD1-OG1 2.92Å; D11-F14 HydrophobicContact CB-CB 3.81Å; D11-F14 WeakPolarHBondContact O-CB 3.24Å; D11-F14 PolarHBondContact O-N 3.48Å; D11-F14 PolarHBondContact OD1-N 3.31Å; D11-F14 VanDerWaalsContact OD1-N 3.16Å
12	E	87.4	Confident	81.6	Confident	177 Å²	177	111.2 Å²	111.2	83%	0.827	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-22.4	178.6	-62.3	-174.1	171.4	0	0	112.7	D10	D10-E12 PolarHBondContact O-N 3.19Å
13	T	90	Very high	83.7	Confident	95 Å²	95	106.9 Å²	106.9	58%	0.583	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-14.6	-177.7	69.7	0	0	0	0	113.9	D11 L15 D16 S17	D11-T13 PolarHBondContact O-N 3.44Å; D11-T13 VanDerWaalsContact O-N 3.12Å; D11-T13 PolarHBondContact OD1-N 3.43Å; D11-T13 PolarHBondContact OD1-OG1 2.92Å; T13-L15 PolarHBondContact O-N 2.94Å; T13-D16 PolarHBondContact O-N 2.82Å; T13-S17 WeakPolarHBondContact O-CB 3.41Å; T13-S17 PolarHBondContact O-N 2.76Å
14	F	90.1	Very high	85.6	Confident	122 Å²	122	104.5 Å²	104.5	54%	0.535	56%	0.561	S	S	.	*	H	α-helix	trans	-62.5	-42.9	-174.8	179.5	-101.6	0	0	0	112.4	D11 T18	D11-F14 HydrophobicContact CB-CB 3.81Å; D11-F14 WeakPolarHBondContact O-CB 3.24Å; D11-F14 PolarHBondContact O-N 3.48Å; D11-F14 PolarHBondContact OD1-N 3.31Å; D11-F14 VanDerWaalsContact OD1-N 3.16Å; F14-T18 VanDerWaalsContact O-CB 3.24Å; F14-T18 WeakPolarHBondContact O-CB 3.41Å; F14-T18 PolarHBondContact O-N 3.42Å; F14-T18 PolarHBondContact O-OG1 3.29Å
15	L	85.8	Confident	87.4	Confident	125 Å²	125	100 Å²	100	65%	0.654	54%	0.536	S	S	*	.	H	α-helix	trans	-64.8	-48.1	-179.3	-67.6	175.5	0	0	0	111.3	T13 S17 T18 V19	T13-L15 PolarHBondContact O-N 2.94Å; L15-S17 PolarHBondContact O-N 3.32Å; L15-T18 PolarHBondContact O-N 3.03Å; L15-V19 WeakPolarHBondContact O-CB 3.33Å; L15-V19 WeakPolarHBondContact O-CG2 3.38Å; L15-V19 PolarHBondContact O-N 3.29Å
16	D	84.8	Confident	88.4	Confident	126 Å²	126	97.7 Å²	97.7	67%	0.674	51%	0.506	S	S	*	.	H	α-helix	trans	-61.6	-44.2	178	-71.7	-12.8	0	0	0	111.6	T13 T18 A20	T13-D16 PolarHBondContact O-N 2.82Å; D16-T18 VanDerWaalsContact C-N 3.34Å; D16-T18 PolarHBondContact O-N 2.77Å; D16-A20 VanDerWaalsContact O-CB 3.29Å; D16-A20 WeakPolarHBondContact O-CB 3.48Å; D16-A20 PolarHBondContact O-N 2.85Å
17	S	88.3	Confident	89.2	Confident	54 Å²	54	95.9 Å²	95.9	38%	0.378	50%	0.502	S	S	.	.	H	α-helix	trans	-62.6	-40.6	176.3	-170.6	0	0	0	0	112.2	T13 L15 K21	T13-S17 WeakPolarHBondContact O-CB 3.41Å; T13-S17 PolarHBondContact O-N 2.76Å; L15-S17 PolarHBondContact O-N 3.32Å; S17-K21 VanDerWaalsContact O-CG 3.26Å; S17-K21 WeakPolarHBondContact O-CG 3.19Å; S17-K21 PolarHBondContact O-N 3.04Å; S17-K21 PolarHBondContact OG-NZ 3.19Å
18	T	89	Confident	89.7	Confident	37 Å²	37	91.4 Å²	91.4	23%	0.227	48%	0.484	C	S	.	.	H	α-helix	trans	-68.6	-47.6	-178.9	-63.5	0	0	0	0	111.1	F14 L15 D16 A20 K21 M22	F14-T18 VanDerWaalsContact O-CB 3.24Å; F14-T18 WeakPolarHBondContact O-CB 3.41Å; F14-T18 PolarHBondContact O-N 3.42Å; F14-T18 PolarHBondContact O-OG1 3.29Å; L15-T18 PolarHBondContact O-N 3.03Å; D16-T18 VanDerWaalsContact C-N 3.34Å; D16-T18 PolarHBondContact O-N 2.77Å; T18-A20 VanDerWaalsContact C-N 3.33Å; T18-A20 PolarHBondContact O-N 2.87Å; T18-K21 PolarHBondContact O-N 3.1Å; T18-M22 HydrophobicContact CG2-CE 3.81Å; T18-M22 WeakPolarHBondContact O-CG 3.47Å; T18-M22 PolarHBondContact O-N 3.06Å
19	V	88	Confident	90.1	Very high	55 Å²	55	86.9 Å²	86.9	33%	0.333	47%	0.471	S	S	.	.	H	α-helix	trans	-62.7	-41	177.8	171.6	0	0	0	0	110.8	L15 K21 M22 N23 Y91	L15-V19 WeakPolarHBondContact O-CB 3.33Å; L15-V19 WeakPolarHBondContact O-CG2 3.38Å; L15-V19 PolarHBondContact O-N 3.29Å; V19-K21 PolarHBondContact O-N 3.32Å; V19-M22 PolarHBondContact O-N 2.8Å; V19-N23 PolarHBondContact O-N 2.96Å; V19-Y91 VanDerWaalsContact CG1-C 3.46Å; V19-Y91 WeakPolarHBondContact CG1-O 3.28Å
20	A	88.9	Confident	90.3	Very high	59 Å²	59	84.3 Å²	84.3	49%	0.488	46%	0.461	S	S	.	.	H	α-helix	trans	-61.2	-42.1	174.2	0	0	0	0	0	112.8	D16 T18 N23 A24	D16-A20 VanDerWaalsContact O-CB 3.29Å; D16-A20 WeakPolarHBondContact O-CB 3.48Å; D16-A20 PolarHBondContact O-N 2.85Å; T18-A20 VanDerWaalsContact C-N 3.33Å; T18-A20 PolarHBondContact O-N 2.87Å; A20-N23 WeakPolarHBondContact O-CB 3.48Å; A20-N23 PolarHBondContact O-N 3.16Å; A20-A24 PolarHBondContact O-N 2.9Å
21	K	92.1	Very high	90.4	Very high	132 Å²	132	85.8 Å²	85.8	57%	0.574	46%	0.462	S	S	*	.	H	α-helix	trans	-65	-42.5	174.7	-72.9	167	-173.9	165.9	0	111.8	S17 T18 V19 N23 A24 L25	S17-K21 VanDerWaalsContact O-CG 3.26Å; S17-K21 WeakPolarHBondContact O-CG 3.19Å; S17-K21 PolarHBondContact O-N 3.04Å; S17-K21 PolarHBondContact OG-NZ 3.19Å; T18-K21 PolarHBondContact O-N 3.1Å; V19-K21 PolarHBondContact O-N 3.32Å; K21-N23 VanDerWaalsContact C-N 3.28Å; K21-N23 PolarHBondContact O-N 3.12Å; K21-A24 WeakPolarHBondContact O-CB 3.4Å; K21-A24 PolarHBondContact O-N 3.27Å; K21-A24 VanDerWaalsContact O-N 3.14Å; K21-L25 WeakPolarHBondContact O-CG 3.4Å; K21-L25 PolarHBondContact O-N 2.57Å
22	M	92.4	Very high	90.6	Very high	79 Å²	79	83.2 Å²	83.2	39%	0.389	45%	0.449	S	S	.	.	H	α-helix	trans	-60.3	-38.5	174.6	-71	-176.6	-179.7	0	0	111.8	T18 V19 L25 R26 V49 Y91	T18-M22 HydrophobicContact CG2-CE 3.81Å; T18-M22 WeakPolarHBondContact O-CG 3.47Å; T18-M22 PolarHBondContact O-N 3.06Å; V19-M22 PolarHBondContact O-N 2.8Å; M22-L25 PolarHBondContact O-N 3.27Å; M22-R26 PolarHBondContact O-N 2.97Å; M22-V49 HydrophobicContact SD-CG2 4.11Å; M22-Y91 HydrophobicContact CB-CD1 4.07Å; M22-Y91 HydrophobicContact CB-CE1 4.21Å
23	N	92.6	Very high	90.8	Very high	18 Å²	18	77.7 Å²	77.7	10%	0.096	43%	0.425	C	S	.	.	H	α-helix	trans	-65.1	-39.8	174.9	-162.7	17.9	0	0	0	111.9	V19 A20 K21 R26 K27 Y91 T92	V19-N23 PolarHBondContact O-N 2.96Å; A20-N23 WeakPolarHBondContact O-CB 3.48Å; A20-N23 PolarHBondContact O-N 3.16Å; K21-N23 VanDerWaalsContact C-N 3.28Å; K21-N23 PolarHBondContact O-N 3.12Å; N23-R26 PolarHBondContact O-N 3.5Å; N23-R26 PolarHBondContact OD1-NE 2.95Å; N23-R26 PolarHBondContact OD1-NH2 3.09Å; N23-K27 WeakPolarHBondContact O-CG 3.46Å; N23-K27 PolarHBondContact O-N 3.09Å; N23-Y91 HydrophobicContact CB-CD1 4.31Å; N23-Y91 HydrophobicContact CB-CG 4.48Å; N23-T92 WeakPolarHBondContact ND2-CG2 3.3Å
24	A	92.5	Very high	90.9	Very high	60 Å²	60	73.1 Å²	73.1	50%	0.496	40%	0.397	S	S	.	.	H	α-helix	trans	-63.6	-42.8	175.8	0	0	0	0	0	111.9	A20 K21 K27 S28	A20-A24 PolarHBondContact O-N 2.9Å; K21-A24 WeakPolarHBondContact O-CB 3.4Å; K21-A24 PolarHBondContact O-N 3.27Å; K21-A24 VanDerWaalsContact O-N 3.14Å; A24-K27 PolarHBondContact O-N 3.19Å; A24-S28 PolarHBondContact O-N 2.75Å; A24-S28 PolarHBondContact O-OG 3.19Å
25	L	94.4	Very high	91	Very high	54 Å²	54	70.5 Å²	70.5	28%	0.283	38%	0.383	S	S	.	.	H	α-helix	trans	-60.6	-43.5	174	-67.3	174	0	0	0	111.7	K21 M22 K27 S28 G29 Q30 F31	K21-L25 WeakPolarHBondContact O-CG 3.4Å; K21-L25 PolarHBondContact O-N 2.57Å; M22-L25 PolarHBondContact O-N 3.27Å; L25-K27 PolarHBondContact O-N 3.46Å; L25-S28 PolarHBondContact O-N 2.95Å; L25-S28 PolarHBondContact O-OG 3.35Å; L25-G29 PolarHBondContact O-N 3.17Å; L25-G29 VanDerWaalsContact O-N 3.1Å; L25-Q30 HydrophobicContact CB-CB 4.5Å; L25-Q30 HydrophobicContact CD2-CB 4.02Å; L25-Q30 VanDerWaalsContact CD2-OE1 3.22Å; L25-Q30 PolarHBondContact O-N 3.24Å; L25-F31 HydrophobicContact CD1-CD2 4.31Å; L25-F31 HydrophobicContact CD2-CD2 4.2Å; L25-F31 HydrophobicContact CD2-CE2 4.25Å
26	R	94.7	Very high	91.4	Very high	20 Å²	20	64.5 Å²	64.5	8%	0.075	35%	0.352	C	S	.	.	H	α-helix	trans	-58.7	-49	175.4	-178.4	-171.8	65.7	109.6	-1.2	111.3	M22 N23 S28 G29 M44 N88 Y91	M22-R26 PolarHBondContact O-N 2.97Å; N23-R26 PolarHBondContact O-N 3.5Å; N23-R26 PolarHBondContact OD1-NE 2.95Å; N23-R26 PolarHBondContact OD1-NH2 3.09Å; R26-S28 VanDerWaalsContact C-N 3.26Å; R26-S28 PolarHBondContact O-N 3.3Å; R26-G29 PolarHBondContact O-N 2.65Å; R26-M44 VanDerWaalsContact CG-O 3.31Å; R26-M44 WeakPolarHBondContact CG-O 3.36Å; R26-N88 PolarHBondContact NH2-OD1 3.4Å; R26-Y91 HydrophobicContact CB-CD1 4.4Å; R26-Y91 HydrophobicContact CB-CE1 4.01Å
27	K	91.7	Very high	91.8	Very high	151 Å²	151	61.8 Å²	61.8	66%	0.657	34%	0.335	S	S	*	.	H	α-helix	trans	-64.8	-27.8	-178.7	-73.4	-175	178	-170	0	113.3	N23 A24 L25 G29	N23-K27 WeakPolarHBondContact O-CG 3.46Å; N23-K27 PolarHBondContact O-N 3.09Å; A24-K27 PolarHBondContact O-N 3.19Å; L25-K27 PolarHBondContact O-N 3.46Å; K27-G29 VanDerWaalsContact C-N 3.34Å
28	S	92.6	Very high	92.2	Very high	69 Å²	69	59.2 Å²	59.2	48%	0.483	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.3	173	63.9	0	0	0	0	113.6	A24 L25 R26 Q30	A24-S28 PolarHBondContact O-N 2.75Å; A24-S28 PolarHBondContact O-OG 3.19Å; L25-S28 PolarHBondContact O-N 2.95Å; L25-S28 PolarHBondContact O-OG 3.35Å; R26-S28 VanDerWaalsContact C-N 3.26Å; R26-S28 PolarHBondContact O-N 3.3Å; S28-Q30 PolarHBondContact O-N 3.27Å; S28-Q30 WeakPolarHBondContact OG-CG 3.28Å
29	G	90.9	Very high	92.2	Very high	39 Å²	39	60.5 Å²	60.5	40%	0.402	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	12.4	-177.1	0	0	0	0	0	114.2	L25 R26 K27	L25-G29 PolarHBondContact O-N 3.17Å; L25-G29 VanDerWaalsContact O-N 3.1Å; R26-G29 PolarHBondContact O-N 2.65Å; K27-G29 VanDerWaalsContact C-N 3.34Å
30	Q	91.4	Very high	92.1	Very high	102 Å²	102	60.5 Å²	60.5	48%	0.477	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	132.5	-178.2	-71.6	-178.3	-18.5	0	0	110.7	L25 S28 C32 H46	L25-Q30 HydrophobicContact CB-CB 4.5Å; L25-Q30 HydrophobicContact CD2-CB 4.02Å; L25-Q30 VanDerWaalsContact CD2-OE1 3.22Å; L25-Q30 PolarHBondContact O-N 3.24Å; S28-Q30 PolarHBondContact O-N 3.27Å; S28-Q30 WeakPolarHBondContact OG-CG 3.28Å; Q30-C32 PolarHBondContact O-N 2.99Å; Q30-H46 PolarHBondContact O-NE2 3.2Å; Q30-H46 VanDerWaalsContact O-NE2 3.1Å
31	F	91.3	Very high	92.2	Very high	162 Å²	162	63 Å²	63	71%	0.711	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	8.3	179.7	-48.5	-70.6	0	0	0	115.6	L25 D33 H46	L25-F31 HydrophobicContact CD1-CD2 4.31Å; L25-F31 HydrophobicContact CD2-CD2 4.2Å; L25-F31 HydrophobicContact CD2-CE2 4.25Å; F31-D33 PolarHBondContact O-N 3.45Å; F31-H46 PolarHBondContact O-CD2 3.26Å
32	C	93.1	Very high	92.3	Very high	12 Å²	12	61.8 Å²	61.8	8%	0.081	34%	0.336	C	S	.	.			trans	-64.5	118	171.9	-66.8	0	0	0	0	109.9	Q30 M44 A45	Q30-C32 PolarHBondContact O-N 2.99Å; C32-M44 HydrophobicContact CB-CB 3.97Å; C32-M44 HydrophobicContact CB-CE 3.69Å; C32-A45 CarbonylContact C-O 3.49Å; C32-A45 VanDerWaalsContact CA-O 3.26Å; C32-A45 WeakPolarHBondContact CA-O 3.45Å; C32-A45 WeakPolarHBondContact CB-O 3.44Å
33	D	91.7	Very high	92.3	Very high	60 Å²	60	59.1 Å²	59.1	32%	0.321	32%	0.323	S	S	.	.			trans	-111.5	6.2	-176.4	60.4	-10.3	0	0	0	112	F31 A45 H46 R47 V70 S71	F31-D33 PolarHBondContact O-N 3.45Å; D33-A45 PolarHBondContact N-O 2.92Å; D33-H46 WeakPolarHBondContact OD1-CA 3.47Å; D33-R47 WeakPolarHBondContact OD1-CG 3.34Å; D33-R47 PolarHBondContact OD1-N 3.26Å; D33-V70 WeakPolarHBondContact O-CA 3.42Å; D33-S71 PolarHBondContact O-N 2.83Å
34	V	92.5	Very high	92.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.9	168.6	57	0	0	0	0	112	L36 A45 R47 L50 F61 S71 V73	V34-L36 HydrophobicContact CG2-CD2 3.79Å; V34-A45 HydrophobicContact CG1-CB 3.99Å; V34-A45 WeakPolarHBondContact CG1-O 3.09Å; V34-A45 PolarHBondContact N-O 3.25Å; V34-A45 VanDerWaalsContact N-O 3.11Å; V34-A45 PolarHBondContact O-N 2.9Å; V34-R47 HydrophobicContact CB-CG 3.64Å; V34-R47 HydrophobicContact CG1-CG 3.81Å; V34-L50 HydrophobicContact CG1-CD1 4.3Å; V34-F61 HydrophobicContact CB-CE1 4.4Å; V34-F61 HydrophobicContact CB-CZ 4.47Å; V34-F61 HydrophobicContact CG1-CZ 4.31Å; V34-F61 HydrophobicContact CG2-CE1 3.7Å; V34-F61 HydrophobicContact CG2-CZ 3.97Å; V34-S71 CarbonylContact C-O 3.58Å; V34-S71 WeakPolarHBondContact CA-O 3.04Å; V34-S71 WeakPolarHBondContact CG2-O 3.48Å; V34-V73 HydrophobicContact CG2-CG2 4.4Å
35	R	92.8	Very high	92.5	Very high	66 Å²	66	58 Å²	58	25%	0.249	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117	169.9	-173.9	-178.8	-62.6	178.6	5.6	109.4	E42 M44 V70 S71 H72 V73	R35-E42 VanDerWaalsContact CD-CD 3.48Å; R35-E42 WeakPolarHBondContact CD-OE1 3.45Å; R35-E42 HydrophobicContact CG-CB 4.24Å; R35-E42 HydrophobicContact CG-CG 4.47Å; R35-E42 IonicContact CZ-OE1 3.64Å; R35-E42 IonicContact CZ-OE2 3.58Å; R35-E42 IonicContact NE-OE1 3.13Å; R35-E42 IonicContact NE-OE2 2.69Å; R35-E42 IonicContact NH1-OE1 2.82Å; R35-E42 PolarHBondContact NH1-OE1 2.98Å; R35-E42 IonicContact NH1-OE2 3.33Å; R35-E42 PolarHBondContact NH1-OE2 2.82Å; R35-M44 HydrophobicContact CB-SD 3.85Å; R35-M44 HydrophobicContact CG-SD 3.89Å; R35-V70 HydrophobicContact CB-CG1 3.89Å; R35-S71 PolarHBondContact N-O 3.44Å; R35-H72 WeakPolarHBondContact O-CA 3.18Å; R35-V73 PolarHBondContact O-N 2.94Å
36	L	94	Very high	92.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	118.6	170	-52.3	-176.1	0	0	0	108.5	V34 L43 L50 V73 F75 V83 L87	V34-L36 HydrophobicContact CG2-CD2 3.79Å; L36-L43 HydrophobicContact CB-CB 4.35Å; L36-L43 PolarHBondContact N-O 3.24Å; L36-L43 PolarHBondContact O-N 2.88Å; L36-L50 HydrophobicContact CD1-CD1 3.93Å; L36-L50 HydrophobicContact CG-CD1 4.48Å; L36-V73 CarbonylContact C-O 3.46Å; L36-V73 VanDerWaalsContact CA-O 3.32Å; L36-V73 WeakPolarHBondContact CA-O 3.18Å; L36-V73 HydrophobicContact CD2-CB 3.81Å; L36-V73 HydrophobicContact CD2-CG1 4.43Å; L36-V73 HydrophobicContact CD2-CG2 4.32Å; L36-F75 HydrophobicContact CD2-CE2 4.37Å; L36-V83 HydrophobicContact CD1-CG1 4.34Å; L36-L87 HydrophobicContact CD1-CD1 4.49Å; L36-L87 HydrophobicContact CD1-CD2 3.98Å
37	Q	94	Very high	92.4	Very high	68 Å²	68	58.5 Å²	58.5	32%	0.318	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	107.6	174.3	-171.8	168.3	28.5	0	0	109.3	H41 V73 T74 F75	Q37-H41 CarbonylContact C-O 3.54Å; Q37-H41 WeakPolarHBondContact CA-O 3.47Å; Q37-V73 PolarHBondContact N-O 3.03Å; Q37-T74 HydrophobicContact CB-CG2 4.28Å; Q37-T74 HydrophobicContact CG-CG2 4.44Å; Q37-T74 CarbonylContact O-C 3.55Å; Q37-T74 VanDerWaalsContact O-CA 3.28Å; Q37-T74 WeakPolarHBondContact O-CA 3.35Å; Q37-F75 PolarHBondContact O-N 3.44Å
38	V	94.8	Very high	92.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.1	-177	-174.5	0	0	0	0	108.9	G40 H41 L43 F75 L78 P80 V83	V38-G40 PolarHBondContact O-N 2.81Å; V38-G40 VanDerWaalsContact O-N 3.1Å; V38-H41 PolarHBondContact N-O 3.36Å; V38-H41 WeakPolarHBondContact O-CB 3.36Å; V38-H41 PolarHBondContact O-N 2.85Å; V38-L43 HydrophobicContact CG2-CD1 4.33Å; V38-F75 CarbonylContact C-O 3.6Å; V38-F75 VanDerWaalsContact CA-O 3.31Å; V38-F75 WeakPolarHBondContact CA-O 3.26Å; V38-F75 HydrophobicContact CG2-CB 4.39Å; V38-F75 HydrophobicContact CG2-CD2 4.2Å; V38-L78 HydrophobicContact CG1-CB 3.87Å; V38-L78 WeakPolarHBondContact CG1-O 3.35Å; V38-P80 HydrophobicContact CB-CB 4.46Å; V38-P80 HydrophobicContact CB-CG 4.45Å; V38-P80 HydrophobicContact CG1-CB 4.33Å; V38-P80 HydrophobicContact CG1-CG 4.09Å; V38-V83 HydrophobicContact CG1-CG2 4.13Å; V38-V83 HydrophobicContact CG2-CB 4.18Å; V38-V83 HydrophobicContact CG2-CG1 4.05Å; V38-V83 HydrophobicContact CG2-CG2 4.03Å
39	C	89.6	Confident	92.5	Very high	64 Å²	64	52.5 Å²	52.5	43%	0.432	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.2	45.3	-176.4	-67.4	0	0	0	0	112.8	H41 F75 E76 L78 P80	C39-H41 VanDerWaalsContact C-N 3.28Å; C39-H41 PolarHBondContact O-N 3.46Å; C39-H41 PolarHBondContact O-ND1 2.74Å; C39-H41 VanDerWaalsContact O-ND1 3.14Å; C39-F75 PolarHBondContact N-O 3.41Å; C39-E76 PolarHBondContact SG-O 3.01Å; C39-L78 PolarHBondContact SG-O 3.33Å; C39-P80 HydrophobicContact CB-CG 4.11Å
40	G	85.9	Confident	92.7	Very high	56 Å²	56	50.9 Å²	50.9	58%	0.577	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-8.4	-178	0	0	0	0	0	116.4	V38	V38-G40 PolarHBondContact O-N 2.81Å; V38-G40 VanDerWaalsContact O-N 3.1Å
41	H	91.9	Very high	92.8	Very high	112 Å²	112	47 Å²	47	52%	0.519	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130.8	175.9	-64	68.4	0	0	0	110.6	Q37 V38 C39 P80	Q37-H41 CarbonylContact C-O 3.54Å; Q37-H41 WeakPolarHBondContact CA-O 3.47Å; V38-H41 PolarHBondContact N-O 3.36Å; V38-H41 WeakPolarHBondContact O-CB 3.36Å; V38-H41 PolarHBondContact O-N 2.85Å; C39-H41 VanDerWaalsContact C-N 3.28Å; C39-H41 PolarHBondContact O-N 3.46Å; C39-H41 PolarHBondContact O-ND1 2.74Å; C39-H41 VanDerWaalsContact O-ND1 3.14Å; H41-P80 HydrophobicContact CB-CB 3.94Å; H41-P80 HydrophobicContact CB-CG 4.16Å
42	E	93.1	Very high	92.9	Very high	105 Å²	105	44.7 Å²	44.7	49%	0.491	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	122.1	179.9	-61.6	-167	145.8	0	0	111.3	R35	R35-E42 VanDerWaalsContact CD-CD 3.48Å; R35-E42 WeakPolarHBondContact CD-OE1 3.45Å; R35-E42 HydrophobicContact CG-CB 4.24Å; R35-E42 HydrophobicContact CG-CG 4.47Å; R35-E42 IonicContact CZ-OE1 3.64Å; R35-E42 IonicContact CZ-OE2 3.58Å; R35-E42 IonicContact NE-OE1 3.13Å; R35-E42 IonicContact NE-OE2 2.69Å; R35-E42 IonicContact NH1-OE1 2.82Å; R35-E42 PolarHBondContact NH1-OE1 2.98Å; R35-E42 IonicContact NH1-OE2 3.33Å; R35-E42 PolarHBondContact NH1-OE2 2.82Å
43	L	93.9	Very high	92.9	Very high	23 Å²	23	46.3 Å²	46.3	12%	0.12	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.9	176.3	-59.9	172.2	0	0	0	109.5	L36 V38 V83 L87	L36-L43 HydrophobicContact CB-CB 4.35Å; L36-L43 PolarHBondContact N-O 3.24Å; L36-L43 PolarHBondContact O-N 2.88Å; V38-L43 HydrophobicContact CG2-CD1 4.33Å; L43-V83 HydrophobicContact CD1-CB 4.15Å; L43-V83 HydrophobicContact CD1-CG1 3.79Å; L43-L87 HydrophobicContact CB-CD1 3.73Å; L43-L87 HydrophobicContact CD1-CD1 3.88Å; L43-L87 HydrophobicContact CG-CD1 4.31Å
44	M	93.8	Very high	93.1	Very high	55 Å²	55	43.5 Å²	43.5	27%	0.271	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	138	178.2	-63.1	-64.9	-64.6	0	0	110.9	R26 C32 R35 V70	R26-M44 VanDerWaalsContact CG-O 3.31Å; R26-M44 WeakPolarHBondContact CG-O 3.36Å; C32-M44 HydrophobicContact CB-CB 3.97Å; C32-M44 HydrophobicContact CB-CE 3.69Å; R35-M44 HydrophobicContact CB-SD 3.85Å; R35-M44 HydrophobicContact CG-SD 3.89Å; M44-V70 HydrophobicContact CE-CG1 4.09Å
45	A	95.5	Very high	93.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	174.9	177.4	0	0	0	0	0	112.4	C32 D33 V34 L50 L87	C32-A45 CarbonylContact C-O 3.49Å; C32-A45 VanDerWaalsContact CA-O 3.26Å; C32-A45 WeakPolarHBondContact CA-O 3.45Å; C32-A45 WeakPolarHBondContact CB-O 3.44Å; D33-A45 PolarHBondContact N-O 2.92Å; V34-A45 HydrophobicContact CG1-CB 3.99Å; V34-A45 WeakPolarHBondContact CG1-O 3.09Å; V34-A45 PolarHBondContact N-O 3.25Å; V34-A45 VanDerWaalsContact N-O 3.11Å; V34-A45 PolarHBondContact O-N 2.9Å; A45-L50 HydrophobicContact CB-CD1 3.58Å; A45-L50 HydrophobicContact CB-CD2 4.47Å; A45-L50 HydrophobicContact CB-CG 4.02Å; A45-L87 HydrophobicContact CB-CD2 4.46Å
46	H	94.2	Very high	93.4	Very high	24 Å²	24	45.4 Å²	45.4	11%	0.111	27%	0.269	C	S	.	.			trans	-97.1	126.7	170.5	-50	87.4	0	0	0	110.6	Q30 F31 D33 A48 V49 L50 Y91	Q30-H46 PolarHBondContact O-NE2 3.2Å; Q30-H46 VanDerWaalsContact O-NE2 3.1Å; F31-H46 PolarHBondContact O-CD2 3.26Å; D33-H46 WeakPolarHBondContact OD1-CA 3.47Å; H46-A48 VanDerWaalsContact C-N 3.31Å; H46-A48 PolarHBondContact O-N 2.88Å; H46-V49 HydrophobicContact CB-CB 4.46Å; H46-V49 HydrophobicContact CB-CG2 4.1Å; H46-V49 PolarHBondContact O-N 2.83Å; H46-L50 PolarHBondContact O-N 2.82Å; H46-Y91 VanDerWaalsContact CB-OH 3.31Å; H46-Y91 WeakPolarHBondContact CB-OH 3.12Å; H46-Y91 PolarHBondContact N-OH 2.77Å; H46-Y91 AromaticContact ND1-CE1 3.58Å; H46-Y91 AromaticContact ND1-CZ 3.67Å; H46-Y91 PolarHBondContact ND1-OH 3.26Å
47	R	92.7	Very high	93.3	Very high	60 Å²	60	45.6 Å²	45.6	23%	0.226	27%	0.27	C	S	.	.	H	α-helix	trans	-53.8	-48.3	178.8	-71.6	171.2	69.6	173.5	0.3	110.7	D33 V34 V49 L50 A51 F61 S71	D33-R47 WeakPolarHBondContact OD1-CG 3.34Å; D33-R47 PolarHBondContact OD1-N 3.26Å; V34-R47 HydrophobicContact CB-CG 3.64Å; V34-R47 HydrophobicContact CG1-CG 3.81Å; R47-V49 VanDerWaalsContact C-N 3.34Å; R47-V49 PolarHBondContact O-N 2.95Å; R47-L50 PolarHBondContact O-N 2.8Å; R47-A51 WeakPolarHBondContact O-CB 3.33Å; R47-A51 PolarHBondContact O-N 2.83Å; R47-F61 HydrophobicContact CB-CD2 4.01Å; R47-F61 HydrophobicContact CB-CE2 4.22Å; R47-F61 HydrophobicContact CB-CG 4.42Å; R47-F61 HydrophobicContact CG-CD1 4.37Å; R47-F61 HydrophobicContact CG-CD2 4.23Å; R47-F61 HydrophobicContact CG-CE2 4.36Å; R47-F61 HydrophobicContact CG-CG 4.25Å; R47-F61 HydrophobicContact CG-CZ 4.49Å; R47-F61 PolarHBondContact NH2-O 2.97Å; R47-S71 PolarHBondContact NH1-OG 3.48Å; R47-S71 VanDerWaalsContact NH1-OG 3.14Å
48	A	91.7	Very high	93.3	Very high	69 Å²	69	47.6 Å²	47.6	57%	0.57	28%	0.278	S	S	*	.	H	α-helix	trans	-56.9	-44.8	-177.7	0	0	0	0	0	112.7	H46 C52	H46-A48 VanDerWaalsContact C-N 3.31Å; H46-A48 PolarHBondContact O-N 2.88Å; A48-C52 PolarHBondContact O-N 2.95Å; A48-C52 PolarHBondContact O-SG 2.87Å
49	V	94.3	Very high	93.1	Very high	25 Å²	25	52.4 Å²	52.4	15%	0.152	30%	0.301	C	S	.	.	H	α-helix	trans	-67	-46.3	179.8	179.8	0	0	0	0	110.6	M22 H46 R47 A51 C52 C53 A90 Y91	M22-V49 HydrophobicContact SD-CG2 4.11Å; H46-V49 HydrophobicContact CB-CB 4.46Å; H46-V49 HydrophobicContact CB-CG2 4.1Å; H46-V49 PolarHBondContact O-N 2.83Å; R47-V49 VanDerWaalsContact C-N 3.34Å; R47-V49 PolarHBondContact O-N 2.95Å; V49-A51 PolarHBondContact O-N 3.04Å; V49-C52 PolarHBondContact O-N 3.18Å; V49-C53 PolarHBondContact O-N 3.22Å; V49-C53 PolarHBondContact O-SG 2.98Å; V49-A90 HydrophobicContact CG1-CB 4.31Å; V49-Y91 HydrophobicContact CB-CE1 4.07Å; V49-Y91 HydrophobicContact CB-CE2 4.05Å; V49-Y91 WeakPolarHBondContact CB-OH 3.49Å; V49-Y91 HydrophobicContact CG1-CD1 4.18Å; V49-Y91 HydrophobicContact CG1-CD2 3.91Å; V49-Y91 HydrophobicContact CG1-CE1 3.87Å; V49-Y91 HydrophobicContact CG1-CE2 3.56Å; V49-Y91 HydrophobicContact CG1-CG 4.23Å; V49-Y91 HydrophobicContact CG2-CE1 3.84Å
50	L	94.5	Very high	93.2	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-67.8	-36.7	-179.2	-63.6	-167.5	0	0	0	112.8	V34 L36 A45 H46 R47 C52 C53 S54 L57 F61 L87 A90 Y91	V34-L50 HydrophobicContact CG1-CD1 4.3Å; L36-L50 HydrophobicContact CD1-CD1 3.93Å; L36-L50 HydrophobicContact CG-CD1 4.48Å; A45-L50 HydrophobicContact CB-CD1 3.58Å; A45-L50 HydrophobicContact CB-CD2 4.47Å; A45-L50 HydrophobicContact CB-CG 4.02Å; H46-L50 PolarHBondContact O-N 2.82Å; R47-L50 PolarHBondContact O-N 2.8Å; L50-C52 VanDerWaalsContact C-N 3.32Å; L50-C52 PolarHBondContact O-N 2.85Å; L50-C53 PolarHBondContact O-N 3.48Å; L50-C53 VanDerWaalsContact O-N 3.16Å; L50-S54 WeakPolarHBondContact O-CB 3.37Å; L50-S54 PolarHBondContact O-N 2.88Å; L50-L57 HydrophobicContact CB-CD1 4Å; L50-L57 HydrophobicContact CD1-CD1 4.12Å; L50-F61 HydrophobicContact CB-CE2 3.93Å; L50-F61 HydrophobicContact CB-CZ 4.34Å; L50-F61 HydrophobicContact CD1-CZ 4.45Å; L50-L87 HydrophobicContact CD1-CD2 3.69Å; L50-L87 HydrophobicContact CD2-CD2 3.37Å; L50-L87 HydrophobicContact CG-CD2 4.17Å; L50-A90 HydrophobicContact CD2-CB 4.15Å; L50-Y91 HydrophobicContact CD2-CE2 4.1Å
51	A	93.5	Very high	93.3	Very high	21 Å²	21	48.8 Å²	48.8	17%	0.174	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-35.8	177.6	0	0	0	0	0	112.1	R47 V49 C53 F58 F61	R47-A51 WeakPolarHBondContact O-CB 3.33Å; R47-A51 PolarHBondContact O-N 2.83Å; V49-A51 PolarHBondContact O-N 3.04Å; A51-C53 VanDerWaalsContact C-N 3.3Å; A51-C53 PolarHBondContact O-N 3.03Å; A51-F58 HydrophobicContact CB-CB 4.03Å; A51-F58 HydrophobicContact CB-CD2 3.99Å; A51-F61 HydrophobicContact CB-CD2 4.07Å; A51-F61 HydrophobicContact CB-CE2 4.49Å
52	C	92.7	Very high	93.1	Very high	114 Å²	114	48.7 Å²	48.7	77%	0.77	27%	0.266	S	S	*	.	H	α-helix	trans	-66.1	-31.8	173.5	-71.6	0	0	0	0	112.8	A48 V49 L50	A48-C52 PolarHBondContact O-N 2.95Å; A48-C52 PolarHBondContact O-SG 2.87Å; V49-C52 PolarHBondContact O-N 3.18Å; L50-C52 VanDerWaalsContact C-N 3.32Å; L50-C52 PolarHBondContact O-N 2.85Å
53	C	93.6	Very high	92.5	Very high	45 Å²	45	47.8 Å²	47.8	30%	0.304	27%	0.272	S	S	.	.	H	α-helix	trans	-95.4	-21.1	-175.4	-63.2	0	0	0	0	114	V49 L50 A51 A90 M114	V49-C53 PolarHBondContact O-N 3.22Å; V49-C53 PolarHBondContact O-SG 2.98Å; L50-C53 PolarHBondContact O-N 3.48Å; L50-C53 VanDerWaalsContact O-N 3.16Å; A51-C53 VanDerWaalsContact C-N 3.3Å; A51-C53 PolarHBondContact O-N 3.03Å; C53-A90 HydrophobicContact CB-CB 4.12Å; C53-M114 HydrophobicContact CB-CE 4.09Å
54	S	96.4	Very high	91.7	Very high	1 Å²	1	49 Å²	49	1%	0.007	28%	0.278	C	S	.	.			trans	-134.1	109.5	-174.7	171.7	0	0	0	0	111	L50 Y56 L57 F58 F112	L50-S54 WeakPolarHBondContact O-CB 3.37Å; L50-S54 PolarHBondContact O-N 2.88Å; S54-Y56 PolarHBondContact O-N 3.38Å; S54-Y56 PolarHBondContact OG-N 3.44Å; S54-L57 PolarHBondContact O-N 3.47Å; S54-L57 WeakPolarHBondContact OG-CG 3.45Å; S54-L57 PolarHBondContact OG-N 2.94Å; S54-L57 VanDerWaalsContact OG-N 3.09Å; S54-F58 PolarHBondContact O-N 2.64Å; S54-F112 WeakPolarHBondContact CB-O 3.36Å; S54-F112 PolarHBondContact OG-O 2.98Å
55	P	95.8	Very high	90.1	Very high	66 Å²	66	53.7 Å²	53.7	43%	0.429	30%	0.303	S	S	.	.	H	α-helix	trans	-58.2	-33.5	172.9	-25.3	34.4	0	0	0	113	F58 E59 K113	P55-F58 PolarHBondContact O-N 2.87Å; P55-E59 WeakPolarHBondContact O-CG 3.34Å; P55-E59 PolarHBondContact O-N 3.01Å; P55-K113 HydrophobicContact CB-CB 4.29Å; P55-K113 HydrophobicContact CB-CD 4.26Å; P55-K113 WeakPolarHBondContact CD-O 3.2Å; P55-K113 HydrophobicContact CG-CB 4.3Å
56	Y	94.9	Very high	88.5	Confident	41 Å²	41	59.4 Å²	59.4	16%	0.161	33%	0.329	C	S	.	.	H	α-helix	trans	-66	-46.2	177.6	177.3	-102.6	0	0	0	112.1	S54 E59 I60 F75 R111 F112	S54-Y56 PolarHBondContact O-N 3.38Å; S54-Y56 PolarHBondContact OG-N 3.44Å; Y56-E59 PolarHBondContact O-N 3.2Å; Y56-I60 HydrophobicContact CD1-CD1 3.88Å; Y56-I60 HydrophobicContact CE1-CD1 3.19Å; Y56-I60 HydrophobicContact CE1-CG1 4.28Å; Y56-I60 HydrophobicContact CE2-CD1 4.21Å; Y56-I60 PolarHBondContact O-N 3.36Å; Y56-I60 VanDerWaalsContact O-N 3.1Å; Y56-F75 AromaticContact CE1-CE1 3.77Å; Y56-F75 HydrophobicContact CE1-CE1 3.77Å; Y56-F75 AromaticContact CE1-CZ 3.96Å; Y56-F75 HydrophobicContact CE1-CZ 3.96Å; Y56-R111 VanDerWaalsContact OH-CZ 3.3Å; Y56-R111 PolarHBondContact OH-NH1 2.93Å; Y56-R111 PolarHBondContact OH-NH2 2.81Å; Y56-F112 HydrophobicContact CD1-CD1 4.01Å; Y56-F112 HydrophobicContact CE1-CD1 4.42Å
57	L	93.4	Very high	86.7	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.016	36%	0.359	C	S	.	.	H	α-helix	trans	-69.7	-34.9	177.2	-65.7	175.8	0	0	0	111.5	L50 S54 E59 I60 F61 F75 F112	L50-L57 HydrophobicContact CB-CD1 4Å; L50-L57 HydrophobicContact CD1-CD1 4.12Å; S54-L57 PolarHBondContact O-N 3.47Å; S54-L57 WeakPolarHBondContact OG-CG 3.45Å; S54-L57 PolarHBondContact OG-N 2.94Å; S54-L57 VanDerWaalsContact OG-N 3.09Å; L57-E59 VanDerWaalsContact C-N 3.35Å; L57-E59 PolarHBondContact O-N 3.02Å; L57-I60 HydrophobicContact CD2-CD1 4.34Å; L57-I60 PolarHBondContact O-N 2.69Å; L57-F61 HydrophobicContact CB-CD2 4.39Å; L57-F61 HydrophobicContact CB-CE2 3.76Å; L57-F61 HydrophobicContact CB-CZ 3.89Å; L57-F61 HydrophobicContact CD2-CZ 4.31Å; L57-F61 HydrophobicContact CG-CZ 4.49Å; L57-F61 WeakPolarHBondContact O-CB 3.49Å; L57-F61 WeakPolarHBondContact O-CD2 3.43Å; L57-F61 WeakPolarHBondContact O-CG 3.36Å; L57-F61 PolarHBondContact O-N 2.96Å; L57-F75 HydrophobicContact CD2-CE2 4.45Å; L57-F75 HydrophobicContact CD2-CZ 4.04Å; L57-F112 HydrophobicContact CD1-CD2 4.14Å; L57-F112 HydrophobicContact CD1-CE2 4.23Å
58	F	92.8	Very high	85	Confident	110 Å²	110	69.6 Å²	69.6	48%	0.482	39%	0.387	S	S	.	.	H	α-helix	trans	-57.1	-46.1	171.1	174.1	-93.1	0	0	0	112.1	A51 S54 P55 F61 N62	A51-F58 HydrophobicContact CB-CB 4.03Å; A51-F58 HydrophobicContact CB-CD2 3.99Å; S54-F58 PolarHBondContact O-N 2.64Å; P55-F58 PolarHBondContact O-N 2.87Å; F58-F61 PolarHBondContact O-N 3.2Å; F58-N62 WeakPolarHBondContact CE1-ND2 3.33Å; F58-N62 WeakPolarHBondContact CE2-ND2 3.45Å; F58-N62 WeakPolarHBondContact CZ-ND2 3.37Å; F58-N62 PolarHBondContact O-N 2.78Å; F58-N62 VanDerWaalsContact O-N 3.08Å; F58-N62 PolarHBondContact O-ND2 3.15Å
59	E	91.8	Very high	83.9	Confident	102 Å²	102	68.8 Å²	68.8	48%	0.477	39%	0.386	S	S	.	.	H	α-helix	trans	-59.8	-47.3	175.4	-74.6	167.4	-175.5	0	0	111.2	P55 Y56 L57 N62 S63 K113	P55-E59 WeakPolarHBondContact O-CG 3.34Å; P55-E59 PolarHBondContact O-N 3.01Å; Y56-E59 PolarHBondContact O-N 3.2Å; L57-E59 VanDerWaalsContact C-N 3.35Å; L57-E59 PolarHBondContact O-N 3.02Å; E59-N62 PolarHBondContact O-N 2.8Å; E59-S63 PolarHBondContact O-N 2.84Å; E59-S63 VanDerWaalsContact O-N 3.1Å; E59-S63 PolarHBondContact O-OG 2.93Å; E59-K113 IonicContact OE1-NZ 2.61Å; E59-K113 PolarHBondContact OE1-NZ 2.92Å; E59-K113 VanDerWaalsContact OE1-NZ 3.12Å; E59-K113 IonicContact OE2-NZ 3.41Å; E59-K113 PolarHBondContact OE2-NZ 2.83Å
60	I	89.9	Confident	82.9	Confident	36 Å²	36	69.7 Å²	69.7	19%	0.185	39%	0.392	C	S	.	.	H	α-helix	trans	-58.7	-51.4	177.5	-71.5	173.6	0	0	0	110.9	Y56 L57 N62 S63 D64 V73	Y56-I60 HydrophobicContact CD1-CD1 3.88Å; Y56-I60 HydrophobicContact CE1-CD1 3.19Å; Y56-I60 HydrophobicContact CE1-CG1 4.28Å; Y56-I60 HydrophobicContact CE2-CD1 4.21Å; Y56-I60 PolarHBondContact O-N 3.36Å; Y56-I60 VanDerWaalsContact O-N 3.1Å; L57-I60 HydrophobicContact CD2-CD1 4.34Å; L57-I60 PolarHBondContact O-N 2.69Å; I60-N62 PolarHBondContact O-N 2.86Å; I60-S63 PolarHBondContact O-N 2.83Å; I60-S63 PolarHBondContact O-OG 2.84Å; I60-D64 PolarHBondContact O-N 3.16Å; I60-D64 VanDerWaalsContact O-N 3.1Å; I60-V73 HydrophobicContact CD1-CG1 4.13Å; I60-V73 HydrophobicContact CG2-CG1 4.31Å; I60-V73 HydrophobicContact CG2-CG2 3.82Å
61	F	89.9	Confident	82.3	Confident	8 Å²	8	69.6 Å²	69.6	4%	0.035	39%	0.391	C	S	.	.	H	α-helix	trans	-66.8	-26.1	-175.3	-59.1	-28.8	0	0	0	113	V34 R47 L50 A51 L57 F58 V73	V34-F61 HydrophobicContact CB-CE1 4.4Å; V34-F61 HydrophobicContact CB-CZ 4.47Å; V34-F61 HydrophobicContact CG1-CZ 4.31Å; V34-F61 HydrophobicContact CG2-CE1 3.7Å; V34-F61 HydrophobicContact CG2-CZ 3.97Å; R47-F61 HydrophobicContact CB-CD2 4.01Å; R47-F61 HydrophobicContact CB-CE2 4.22Å; R47-F61 HydrophobicContact CB-CG 4.42Å; R47-F61 HydrophobicContact CG-CD1 4.37Å; R47-F61 HydrophobicContact CG-CD2 4.23Å; R47-F61 HydrophobicContact CG-CE2 4.36Å; R47-F61 HydrophobicContact CG-CG 4.25Å; R47-F61 HydrophobicContact CG-CZ 4.49Å; R47-F61 PolarHBondContact NH2-O 2.97Å; L50-F61 HydrophobicContact CB-CE2 3.93Å; L50-F61 HydrophobicContact CB-CZ 4.34Å; L50-F61 HydrophobicContact CD1-CZ 4.45Å; A51-F61 HydrophobicContact CB-CD2 4.07Å; A51-F61 HydrophobicContact CB-CE2 4.49Å; L57-F61 HydrophobicContact CB-CD2 4.39Å; L57-F61 HydrophobicContact CB-CE2 3.76Å; L57-F61 HydrophobicContact CB-CZ 3.89Å; L57-F61 HydrophobicContact CD2-CZ 4.31Å; L57-F61 HydrophobicContact CG-CZ 4.49Å; L57-F61 WeakPolarHBondContact O-CB 3.49Å; L57-F61 WeakPolarHBondContact O-CD2 3.43Å; L57-F61 WeakPolarHBondContact O-CG 3.36Å; L57-F61 PolarHBondContact O-N 2.96Å; F58-F61 PolarHBondContact O-N 3.2Å; F61-V73 HydrophobicContact CD1-CG2 4.46Å; F61-V73 HydrophobicContact CE1-CG2 3.92Å
62	N	85.9	Confident	82	Confident	110 Å²	110	73.6 Å²	73.6	59%	0.588	41%	0.406	S	S	*	.	H	α-helix	trans	-80.8	-23.8	173.9	-77.1	-25.9	0	0	0	113.1	F58 E59 I60 D64	F58-N62 WeakPolarHBondContact CE1-ND2 3.33Å; F58-N62 WeakPolarHBondContact CE2-ND2 3.45Å; F58-N62 WeakPolarHBondContact CZ-ND2 3.37Å; F58-N62 PolarHBondContact O-N 2.78Å; F58-N62 VanDerWaalsContact O-N 3.08Å; F58-N62 PolarHBondContact O-ND2 3.15Å; E59-N62 PolarHBondContact O-N 2.8Å; I60-N62 PolarHBondContact O-N 2.86Å; N62-D64 VanDerWaalsContact C-N 3.32Å
63	S	81.6	Confident	81.8	Confident	86 Å²	86	68.9 Å²	68.9	60%	0.601	37%	0.374	S	S	*	.	H	α-helix	trans	-81.9	-13.3	173.4	67.9	0	0	0	0	113.4	E59 I60 I65	E59-S63 PolarHBondContact O-N 2.84Å; E59-S63 VanDerWaalsContact O-N 3.1Å; E59-S63 PolarHBondContact O-OG 2.93Å; I60-S63 PolarHBondContact O-N 2.83Å; I60-S63 PolarHBondContact O-OG 2.84Å; S63-I65 PolarHBondContact O-N 3.34Å
64	D	76.1	Confident	81.7	Confident	49 Å²	49	70.3 Å²	70.3	26%	0.262	38%	0.381	S	S	.	.			trans	-73.5	117.9	179.5	-167.4	2.4	0	0	0	110.9	I60 N62 E66 S71	I60-D64 PolarHBondContact O-N 3.16Å; I60-D64 VanDerWaalsContact O-N 3.1Å; N62-D64 VanDerWaalsContact C-N 3.32Å; D64-E66 PolarHBondContact OD1-N 2.98Å; D64-S71 WeakPolarHBondContact OD2-CB 3.49Å; D64-S71 PolarHBondContact OD2-OG 2.95Å
65	I	61.3	Low	81.5	Confident	152 Å²	152	70.5 Å²	70.5	78%	0.779	38%	0.382	S	S	*	.			trans	-85	-14.3	-174.1	-58.5	171.1	0	0	0	110.8	S63 T67	S63-I65 PolarHBondContact O-N 3.34Å; I65-T67 PolarHBondContact O-N 2.79Å
66	E	61.9	Low	81.4	Confident	120 Å²	120	75.5 Å²	75.5	56%	0.561	40%	0.4	S	S	*	.			trans	-74.7	98.3	-178.9	-67.5	-172	174.2	0	0	111.1	D64 H68	D64-E66 PolarHBondContact OD1-N 2.98Å; E66-H68 VanDerWaalsContact C-N 3.3Å; E66-H68 PolarHBondContact O-N 3.42Å
67	T	56.2	Low	81.1	Confident	119 Å²	119	79.1 Å²	79.1	73%	0.73	42%	0.421	S	S	*	.	S	Bend	trans	-78	-11.5	180	45.5	0	0	0	0	113.9	I65	I65-T67 PolarHBondContact O-N 2.79Å
68	H	56.6	Low	81.2	Confident	179 Å²	179	79.5 Å²	79.5	83%	0.829	42%	0.424	S	S	*	.	S	Bend	trans	-140.6	93.3	-176.5	-61	-52.3	0	0	0	111.7	E66	E66-H68 VanDerWaalsContact C-N 3.3Å; E66-H68 PolarHBondContact O-N 3.42Å
69	G	68.6	Low	81.3	Confident	52 Å²	52	76.7 Å²	76.7	54%	0.536	41%	0.413	S	S	.	.	S	Bend	trans	162.3	174.4	178.9	0	0	0	0	0	111.9
70	V	73.3	Confident	81.5	Confident	45 Å²	45	72.9 Å²	72.9	27%	0.273	40%	0.398	S	S	.	.			trans	-79.4	122.7	164.7	175.7	0	0	0	0	106.4	D33 R35 M44 H72	D33-V70 WeakPolarHBondContact O-CA 3.42Å; R35-V70 HydrophobicContact CB-CG1 3.89Å; M44-V70 HydrophobicContact CE-CG1 4.09Å; V70-H72 PolarHBondContact O-CE1 3.27Å; V70-H72 VanDerWaalsContact O-CE1 3.27Å; V70-H72 PolarHBondContact O-ND1 2.96Å
71	S	82.2	Confident	81.8	Confident	2 Å²	2	77 Å²	77	1%	0.014	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	135	176.2	-69.3	0	0	0	0	110.7	D33 V34 R35 R47 D64	D33-S71 PolarHBondContact O-N 2.83Å; V34-S71 CarbonylContact C-O 3.58Å; V34-S71 WeakPolarHBondContact CA-O 3.04Å; V34-S71 WeakPolarHBondContact CG2-O 3.48Å; R35-S71 PolarHBondContact N-O 3.44Å; R47-S71 PolarHBondContact NH1-OG 3.48Å; R47-S71 VanDerWaalsContact NH1-OG 3.14Å; D64-S71 WeakPolarHBondContact OD2-CB 3.49Å; D64-S71 PolarHBondContact OD2-OG 2.95Å
72	H	86.4	Confident	82.2	Confident	106 Å²	106	76.6 Å²	76.6	49%	0.491	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.9	176.6	-67.3	76.5	0	0	0	110.9	R35 V70	R35-H72 WeakPolarHBondContact O-CA 3.18Å; V70-H72 PolarHBondContact O-CE1 3.27Å; V70-H72 VanDerWaalsContact O-CE1 3.27Å; V70-H72 PolarHBondContact O-ND1 2.96Å
73	V	88.9	Confident	82.7	Confident	14 Å²	14	71.4 Å²	71.4	9%	0.085	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124	177.6	-175.4	0	0	0	0	109.8	V34 R35 L36 Q37 I60 F61 F75	V34-V73 HydrophobicContact CG2-CG2 4.4Å; R35-V73 PolarHBondContact O-N 2.94Å; L36-V73 CarbonylContact C-O 3.46Å; L36-V73 VanDerWaalsContact CA-O 3.32Å; L36-V73 WeakPolarHBondContact CA-O 3.18Å; L36-V73 HydrophobicContact CD2-CB 3.81Å; L36-V73 HydrophobicContact CD2-CG1 4.43Å; L36-V73 HydrophobicContact CD2-CG2 4.32Å; Q37-V73 PolarHBondContact N-O 3.03Å; I60-V73 HydrophobicContact CD1-CG1 4.13Å; I60-V73 HydrophobicContact CG2-CG1 4.31Å; I60-V73 HydrophobicContact CG2-CG2 3.82Å; F61-V73 HydrophobicContact CD1-CG2 4.46Å; F61-V73 HydrophobicContact CE1-CG2 3.92Å; V73-F75 HydrophobicContact CB-CE2 4.42Å; V73-F75 HydrophobicContact CG1-CD2 4.44Å; V73-F75 HydrophobicContact CG1-CE1 4.43Å; V73-F75 HydrophobicContact CG1-CE2 3.57Å; V73-F75 HydrophobicContact CG1-CZ 3.55Å
74	T	91.5	Very high	83.4	Confident	75 Å²	75	71.5 Å²	71.5	46%	0.46	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	138.5	-173.8	-52.4	0	0	0	0	112.3	Q37 E76	Q37-T74 HydrophobicContact CB-CG2 4.28Å; Q37-T74 HydrophobicContact CG-CG2 4.44Å; Q37-T74 CarbonylContact O-C 3.55Å; Q37-T74 VanDerWaalsContact O-CA 3.28Å; Q37-T74 WeakPolarHBondContact O-CA 3.35Å; T74-E76 HydrophobicContact CG2-CG 4.32Å
75	F	93	Very high	84.4	Confident	6 Å²	6	69.8 Å²	69.8	3%	0.026	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	116.2	173.6	-58.8	-76.2	0	0	0	109.5	L36 Q37 V38 C39 Y56 L57 V73 L78 F112	L36-F75 HydrophobicContact CD2-CE2 4.37Å; Q37-F75 PolarHBondContact O-N 3.44Å; V38-F75 CarbonylContact C-O 3.6Å; V38-F75 VanDerWaalsContact CA-O 3.31Å; V38-F75 WeakPolarHBondContact CA-O 3.26Å; V38-F75 HydrophobicContact CG2-CB 4.39Å; V38-F75 HydrophobicContact CG2-CD2 4.2Å; C39-F75 PolarHBondContact N-O 3.41Å; Y56-F75 AromaticContact CE1-CE1 3.77Å; Y56-F75 HydrophobicContact CE1-CE1 3.77Å; Y56-F75 AromaticContact CE1-CZ 3.96Å; Y56-F75 HydrophobicContact CE1-CZ 3.96Å; L57-F75 HydrophobicContact CD2-CE2 4.45Å; L57-F75 HydrophobicContact CD2-CZ 4.04Å; V73-F75 HydrophobicContact CB-CE2 4.42Å; V73-F75 HydrophobicContact CG1-CD2 4.44Å; V73-F75 HydrophobicContact CG1-CE1 4.43Å; V73-F75 HydrophobicContact CG1-CE2 3.57Å; V73-F75 HydrophobicContact CG1-CZ 3.55Å; F75-L78 HydrophobicContact CB-CB 4.33Å; F75-L78 HydrophobicContact CB-CD1 3.91Å; F75-L78 HydrophobicContact CB-CG 4.18Å; F75-L78 HydrophobicContact CD1-CD1 3.97Å; F75-L78 HydrophobicContact CG-CD1 3.88Å; F75-F112 HydrophobicContact CD1-CE1 4.21Å; F75-F112 HydrophobicContact CD2-CE1 4.28Å; F75-F112 HydrophobicContact CD2-CZ 4.17Å; F75-F112 AromaticContact CE1-CE1 3.69Å; F75-F112 HydrophobicContact CE1-CE1 3.69Å; F75-F112 HydrophobicContact CE1-CZ 4.48Å; F75-F112 AromaticContact CE2-CE1 3.76Å; F75-F112 HydrophobicContact CE2-CE1 3.76Å; F75-F112 AromaticContact CE2-CZ 3.73Å; F75-F112 HydrophobicContact CE2-CZ 3.73Å; F75-F112 HydrophobicContact CG-CE1 4.49Å; F75-F112 HydrophobicContact CZ-CD1 4.41Å; F75-F112 AromaticContact CZ-CE1 3.44Å; F75-F112 HydrophobicContact CZ-CE1 3.44Å; F75-F112 VanDerWaalsContact CZ-CE1 3.44Å; F75-F112 AromaticContact CZ-CZ 3.91Å; F75-F112 HydrophobicContact CZ-CZ 3.91Å
76	E	92.3	Very high	86.2	Confident	171 Å²	171	62.8 Å²	62.8	80%	0.799	33%	0.333	S	S	*	.	S	Bend	trans	-96.3	-13.2	-178.5	-63	-174.5	171.4	0	0	113	C39 T74	C39-E76 PolarHBondContact SG-O 3.01Å; T74-E76 HydrophobicContact CG2-CG 4.32Å
77	D	89.9	Confident	87.7	Confident	116 Å²	116	57.2 Å²	57.2	62%	0.62	31%	0.307	S	S	*	.	S	Bend	trans	-110.1	8.2	-170.5	62.3	-35.9	0	0	0	113.6
78	L	94.4	Very high	89.6	Confident	12 Å²	12	53.6 Å²	53.6	6%	0.063	28%	0.283	C	S	.	.	S	Bend	trans	-116	147	-176.5	-63.2	-178.5	0	0	0	112.5	V38 C39 F75 V83 A108 R111 F112	V38-L78 HydrophobicContact CG1-CB 3.87Å; V38-L78 WeakPolarHBondContact CG1-O 3.35Å; C39-L78 PolarHBondContact SG-O 3.33Å; F75-L78 HydrophobicContact CB-CB 4.33Å; F75-L78 HydrophobicContact CB-CD1 3.91Å; F75-L78 HydrophobicContact CB-CG 4.18Å; F75-L78 HydrophobicContact CD1-CD1 3.97Å; F75-L78 HydrophobicContact CG-CD1 3.88Å; L78-V83 HydrophobicContact CB-CG2 4.08Å; L78-V83 HydrophobicContact CD1-CG2 3.99Å; L78-A108 HydrophobicContact CD1-CB 4.5Å; L78-A108 HydrophobicContact CD2-CB 4.25Å; L78-R111 HydrophobicContact CD1-CG 4.37Å; L78-R111 HydrophobicContact CD2-CB 4.44Å; L78-F112 HydrophobicContact CD1-CE1 3.77Å; L78-F112 HydrophobicContact CD1-CZ 4.04Å
79	N	95.3	Very high	91.4	Very high	50 Å²	50	47.4 Å²	47.4	27%	0.267	25%	0.253	S	S	.	.			trans	-72.9	124.4	171	-175.8	-36	0	0	0	110	E81 A82 V83 D104	N79-E81 VanDerWaalsContact C-N 3.35Å; N79-E81 PolarHBondContact O-N 2.9Å; N79-E81 WeakPolarHBondContact OD1-CB 3.35Å; N79-E81 PolarHBondContact OD1-N 3.49Å; N79-A82 HydrophobicContact CB-CB 3.97Å; N79-A82 WeakPolarHBondContact O-CB 3.37Å; N79-A82 PolarHBondContact O-N 2.84Å; N79-V83 PolarHBondContact O-N 2.86Å; N79-V83 VanDerWaalsContact O-N 3.15Å; N79-D104 HydrophobicContact CB-CB 3.85Å; N79-D104 PolarHBondContact ND2-OD2 3.46Å
80	P	96.3	Very high	92.7	Very high	23 Å²	23	45.6 Å²	45.6	15%	0.149	23%	0.233	C	C	.	.	H	α-helix	trans	-56.8	-42.1	179.1	-24.7	33.3	0	0	0	114.2	V38 C39 H41 A82 V83 E84	V38-P80 HydrophobicContact CB-CB 4.46Å; V38-P80 HydrophobicContact CB-CG 4.45Å; V38-P80 HydrophobicContact CG1-CB 4.33Å; V38-P80 HydrophobicContact CG1-CG 4.09Å; C39-P80 HydrophobicContact CB-CG 4.11Å; H41-P80 HydrophobicContact CB-CB 3.94Å; H41-P80 HydrophobicContact CB-CG 4.16Å; P80-A82 VanDerWaalsContact C-N 3.32Å; P80-A82 PolarHBondContact O-N 2.86Å; P80-V83 PolarHBondContact O-N 3.03Å; P80-E84 PolarHBondContact O-N 3.01Å
81	E	96.8	Very high	93.7	Very high	122 Å²	122	43.6 Å²	43.6	57%	0.57	22%	0.221	S	C	*	.	H	α-helix	trans	-66.5	-37.5	-178.8	-63.2	179.9	-178	0	0	110.9	N79 E84 V85 L101	N79-E81 VanDerWaalsContact C-N 3.35Å; N79-E81 PolarHBondContact O-N 2.9Å; N79-E81 WeakPolarHBondContact OD1-CB 3.35Å; N79-E81 PolarHBondContact OD1-N 3.49Å; E81-E84 PolarHBondContact O-N 2.98Å; E81-V85 WeakPolarHBondContact O-CG2 3.22Å; E81-V85 PolarHBondContact O-N 2.64Å; E81-L101 HydrophobicContact CB-CD1 4.01Å; E81-L101 HydrophobicContact CB-CD2 3.93Å
82	A	97.6	Very high	94.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-41.8	176	0	0	0	0	0	111.8	N79 P80 E84 V85 L86 L101 D104 V105	N79-A82 HydrophobicContact CB-CB 3.97Å; N79-A82 WeakPolarHBondContact O-CB 3.37Å; N79-A82 PolarHBondContact O-N 2.84Å; P80-A82 VanDerWaalsContact C-N 3.32Å; P80-A82 PolarHBondContact O-N 2.86Å; A82-E84 VanDerWaalsContact C-N 3.33Å; A82-V85 WeakPolarHBondContact O-CB 3.46Å; A82-V85 PolarHBondContact O-N 2.91Å; A82-L86 WeakPolarHBondContact O-CG 3.45Å; A82-L86 PolarHBondContact O-N 3.13Å; A82-L101 HydrophobicContact CB-CD1 4.21Å; A82-L101 HydrophobicContact CB-CG 4.38Å; A82-D104 HydrophobicContact CB-CB 3.64Å; A82-V105 HydrophobicContact CB-CG2 3.9Å
83	V	96.9	Very high	94.3	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-40.4	174.1	176.2	0	0	0	0	110.4	L36 V38 L43 L78 N79 P80 V85 L86 L87 A108 F112	L36-V83 HydrophobicContact CD1-CG1 4.34Å; V38-V83 HydrophobicContact CG1-CG2 4.13Å; V38-V83 HydrophobicContact CG2-CB 4.18Å; V38-V83 HydrophobicContact CG2-CG1 4.05Å; V38-V83 HydrophobicContact CG2-CG2 4.03Å; L43-V83 HydrophobicContact CD1-CB 4.15Å; L43-V83 HydrophobicContact CD1-CG1 3.79Å; L78-V83 HydrophobicContact CB-CG2 4.08Å; L78-V83 HydrophobicContact CD1-CG2 3.99Å; N79-V83 PolarHBondContact O-N 2.86Å; N79-V83 VanDerWaalsContact O-N 3.15Å; P80-V83 PolarHBondContact O-N 3.03Å; V83-V85 VanDerWaalsContact C-N 3.32Å; V83-V85 PolarHBondContact O-N 2.55Å; V83-L86 WeakPolarHBondContact O-CB 3.4Å; V83-L86 PolarHBondContact O-N 2.73Å; V83-L86 VanDerWaalsContact O-N 3.09Å; V83-L87 HydrophobicContact CG1-CG 4.38Å; V83-L87 WeakPolarHBondContact O-CG 3.34Å; V83-L87 PolarHBondContact O-N 2.81Å; V83-A108 HydrophobicContact CG2-CB 4.29Å; V83-F112 HydrophobicContact CG1-CE2 4.01Å; V83-F112 HydrophobicContact CG1-CZ 4.22Å; V83-F112 HydrophobicContact CG2-CE2 4.47Å; V83-F112 HydrophobicContact CG2-CZ 4.28Å
84	E	95.8	Very high	94.5	Very high	88 Å²	88	50.6 Å²	50.6	41%	0.411	27%	0.271	S	S	.	.	H	α-helix	trans	-61.7	-37.9	175.8	-173.6	172.1	-172.9	0	0	112.6	P80 E81 A82 L86 L87 N88	P80-E84 PolarHBondContact O-N 3.01Å; E81-E84 PolarHBondContact O-N 2.98Å; A82-E84 VanDerWaalsContact C-N 3.33Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 3.03Å; E84-L87 PolarHBondContact O-N 2.75Å; E84-N88 WeakPolarHBondContact O-CB 3.3Å; E84-N88 VanDerWaalsContact O-CG 3.29Å; E84-N88 PolarHBondContact O-N 3.48Å; E84-N88 PolarHBondContact O-ND2 3.44Å
85	V	97.7	Very high	94.7	Very high	14 Å²	14	49.6 Å²	49.6	9%	0.085	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-43.4	171.4	169	0	0	0	0	111.4	E81 A82 V83 N88 Y89 L95 K96 A97 L101 V105	E81-V85 WeakPolarHBondContact O-CG2 3.22Å; E81-V85 PolarHBondContact O-N 2.64Å; A82-V85 WeakPolarHBondContact O-CB 3.46Å; A82-V85 PolarHBondContact O-N 2.91Å; V83-V85 VanDerWaalsContact C-N 3.32Å; V83-V85 PolarHBondContact O-N 2.55Å; V85-N88 PolarHBondContact O-N 2.91Å; V85-Y89 WeakPolarHBondContact O-CB 3.48Å; V85-Y89 PolarHBondContact O-N 2.81Å; V85-L95 HydrophobicContact CG1-CD1 3.74Å; V85-K96 WeakPolarHBondContact CG2-O 3.47Å; V85-A97 HydrophobicContact CG1-CB 4.15Å; V85-A97 HydrophobicContact CG2-CB 4.49Å; V85-L101 HydrophobicContact CG2-CD2 3.87Å; V85-V105 HydrophobicContact CB-CG2 4.03Å; V85-V105 HydrophobicContact CG1-CG1 4.11Å; V85-V105 HydrophobicContact CG1-CG2 3.99Å; V85-V105 HydrophobicContact CG2-CG2 4.33Å
86	L	97.8	Very high	94.8	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-66.8	-38.7	177.3	-61.7	-178.1	0	0	0	112.4	A82 V83 E84 Y89 A90 V105 A108 A109 F112 M114 V117	A82-L86 WeakPolarHBondContact O-CG 3.45Å; A82-L86 PolarHBondContact O-N 3.13Å; V83-L86 WeakPolarHBondContact O-CB 3.4Å; V83-L86 PolarHBondContact O-N 2.73Å; V83-L86 VanDerWaalsContact O-N 3.09Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 3.03Å; L86-Y89 WeakPolarHBondContact O-CB 3.3Å; L86-Y89 PolarHBondContact O-N 3.22Å; L86-A90 PolarHBondContact O-N 2.82Å; L86-V105 HydrophobicContact CD2-CG1 3.85Å; L86-A108 HydrophobicContact CD1-CB 3.56Å; L86-A109 HydrophobicContact CD1-CB 4.35Å; L86-A109 HydrophobicContact CD2-CB 4.09Å; L86-F112 HydrophobicContact CD1-CD2 3.94Å; L86-F112 HydrophobicContact CD1-CE2 4.41Å; L86-M114 HydrophobicContact CB-SD 4.18Å; L86-M114 HydrophobicContact CD1-SD 4.16Å; L86-M114 HydrophobicContact CD2-SD 4.27Å; L86-M114 HydrophobicContact CG-SD 4.45Å; L86-V117 HydrophobicContact CD2-CB 4.44Å; L86-V117 HydrophobicContact CD2-CG1 3.61Å
87	L	95.2	Very high	95	Very high	3 Å²	3	51 Å²	51	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-48	172.7	-64.8	-177.5	0	0	0	110.3	L36 L43 A45 L50 V83 E84 Y89 A90 Y91	L36-L87 HydrophobicContact CD1-CD1 4.49Å; L36-L87 HydrophobicContact CD1-CD2 3.98Å; L43-L87 HydrophobicContact CB-CD1 3.73Å; L43-L87 HydrophobicContact CD1-CD1 3.88Å; L43-L87 HydrophobicContact CG-CD1 4.31Å; A45-L87 HydrophobicContact CB-CD2 4.46Å; L50-L87 HydrophobicContact CD1-CD2 3.69Å; L50-L87 HydrophobicContact CD2-CD2 3.37Å; L50-L87 HydrophobicContact CG-CD2 4.17Å; V83-L87 HydrophobicContact CG1-CG 4.38Å; V83-L87 WeakPolarHBondContact O-CG 3.34Å; V83-L87 PolarHBondContact O-N 2.81Å; E84-L87 PolarHBondContact O-N 2.75Å; L87-Y89 VanDerWaalsContact C-N 3.26Å; L87-Y89 PolarHBondContact O-N 2.86Å; L87-A90 WeakPolarHBondContact O-CB 3.48Å; L87-A90 PolarHBondContact O-N 2.83Å; L87-A90 VanDerWaalsContact O-N 3.11Å; L87-Y91 VanDerWaalsContact O-CD2 3.24Å; L87-Y91 WeakPolarHBondContact O-CD2 3.09Å; L87-Y91 PolarHBondContact O-N 3.03Å
88	N	94.5	Very high	95.2	Very high	44 Å²	44	52.6 Å²	52.6	24%	0.235	28%	0.276	C	S	.	.	H	α-helix	trans	-57.9	-42.2	176.5	-73.9	-35.9	0	0	0	111.1	R26 E84 V85 A90 Y91 T92	R26-N88 PolarHBondContact NH2-OD1 3.4Å; E84-N88 WeakPolarHBondContact O-CB 3.3Å; E84-N88 VanDerWaalsContact O-CG 3.29Å; E84-N88 PolarHBondContact O-N 3.48Å; E84-N88 PolarHBondContact O-ND2 3.44Å; V85-N88 PolarHBondContact O-N 2.91Å; N88-A90 PolarHBondContact O-N 2.92Å; N88-Y91 CarbonylContact O-C 3.54Å; N88-Y91 PolarHBondContact O-N 3Å; N88-T92 WeakPolarHBondContact O-CB 3.38Å; N88-T92 WeakPolarHBondContact O-CG2 3.45Å; N88-T92 PolarHBondContact O-N 3.44Å; N88-T92 PolarHBondContact O-OG1 3.43Å
89	Y	95.9	Very high	95.1	Very high	48 Å²	48	59.8 Å²	59.8	19%	0.188	30%	0.303	C	S	.	.	H	α-helix	trans	-58.8	-45	174.4	170.8	-100.3	0	0	0	112.5	V85 L86 L87 Y91 T92 A93 Q94 L95 M114 V117	V85-Y89 WeakPolarHBondContact O-CB 3.48Å; V85-Y89 PolarHBondContact O-N 2.81Å; L86-Y89 WeakPolarHBondContact O-CB 3.3Å; L86-Y89 PolarHBondContact O-N 3.22Å; L87-Y89 VanDerWaalsContact C-N 3.26Å; L87-Y89 PolarHBondContact O-N 2.86Å; Y89-Y91 PolarHBondContact O-N 3.37Å; Y89-Y91 VanDerWaalsContact O-N 3.16Å; Y89-T92 PolarHBondContact O-N 3.21Å; Y89-A93 VanDerWaalsContact O-CA 3.31Å; Y89-A93 WeakPolarHBondContact O-CA 3.33Å; Y89-A93 PolarHBondContact O-N 3.39Å; Y89-Q94 WeakPolarHBondContact CA-O 3.24Å; Y89-L95 HydrophobicContact CD2-CB 3.99Å; Y89-L95 HydrophobicContact CD2-CD1 4.46Å; Y89-L95 HydrophobicContact CG-CD1 4.39Å; Y89-M114 HydrophobicContact CD1-CE 3.67Å; Y89-M114 HydrophobicContact CE1-CE 3.89Å; Y89-V117 HydrophobicContact CD1-CG2 3.56Å; Y89-V117 HydrophobicContact CD2-CG2 4.4Å; Y89-V117 HydrophobicContact CE1-CG2 3.29Å; Y89-V117 HydrophobicContact CE2-CG2 4.2Å; Y89-V117 HydrophobicContact CG-CG2 4.1Å
90	A	94.6	Very high	95	Very high	15 Å²	15	65.9 Å²	65.9	12%	0.124	33%	0.329	C	S	.	.	H	α-helix	trans	-60.1	-27.2	178.5	0	0	0	0	0	113.5	V49 L50 C53 L86 L87 N88	V49-A90 HydrophobicContact CG1-CB 4.31Å; L50-A90 HydrophobicContact CD2-CB 4.15Å; C53-A90 HydrophobicContact CB-CB 4.12Å; L86-A90 PolarHBondContact O-N 2.82Å; L87-A90 WeakPolarHBondContact O-CB 3.48Å; L87-A90 PolarHBondContact O-N 2.83Å; L87-A90 VanDerWaalsContact O-N 3.11Å; N88-A90 PolarHBondContact O-N 2.92Å
91	Y	94.1	Very high	95	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.008	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	3.6	-177.5	-73.5	-98.5	0	0	0	114.2	V19 M22 N23 R26 H46 V49 L50 L87 N88 Y89	V19-Y91 VanDerWaalsContact CG1-C 3.46Å; V19-Y91 WeakPolarHBondContact CG1-O 3.28Å; M22-Y91 HydrophobicContact CB-CD1 4.07Å; M22-Y91 HydrophobicContact CB-CE1 4.21Å; N23-Y91 HydrophobicContact CB-CD1 4.31Å; N23-Y91 HydrophobicContact CB-CG 4.48Å; R26-Y91 HydrophobicContact CB-CD1 4.4Å; R26-Y91 HydrophobicContact CB-CE1 4.01Å; H46-Y91 VanDerWaalsContact CB-OH 3.31Å; H46-Y91 WeakPolarHBondContact CB-OH 3.12Å; H46-Y91 PolarHBondContact N-OH 2.77Å; H46-Y91 AromaticContact ND1-CE1 3.58Å; H46-Y91 AromaticContact ND1-CZ 3.67Å; H46-Y91 PolarHBondContact ND1-OH 3.26Å; V49-Y91 HydrophobicContact CB-CE1 4.07Å; V49-Y91 HydrophobicContact CB-CE2 4.05Å; V49-Y91 WeakPolarHBondContact CB-OH 3.49Å; V49-Y91 HydrophobicContact CG1-CD1 4.18Å; V49-Y91 HydrophobicContact CG1-CD2 3.91Å; V49-Y91 HydrophobicContact CG1-CE1 3.87Å; V49-Y91 HydrophobicContact CG1-CE2 3.56Å; V49-Y91 HydrophobicContact CG1-CG 4.23Å; V49-Y91 HydrophobicContact CG2-CE1 3.84Å; L50-Y91 HydrophobicContact CD2-CE2 4.1Å; L87-Y91 VanDerWaalsContact O-CD2 3.24Å; L87-Y91 WeakPolarHBondContact O-CD2 3.09Å; L87-Y91 PolarHBondContact O-N 3.03Å; N88-Y91 CarbonylContact O-C 3.54Å; N88-Y91 PolarHBondContact O-N 3Å; Y89-Y91 PolarHBondContact O-N 3.37Å; Y89-Y91 VanDerWaalsContact O-N 3.16Å
92	T	91.7	Very high	95	Very high	56 Å²	56	60.2 Å²	60.2	34%	0.344	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.8	-11.1	-178.8	63.7	0	0	0	0	113.7	N23 N88 Y89 Q94	N23-T92 WeakPolarHBondContact ND2-CG2 3.3Å; N88-T92 WeakPolarHBondContact O-CB 3.38Å; N88-T92 WeakPolarHBondContact O-CG2 3.45Å; N88-T92 PolarHBondContact O-N 3.44Å; N88-T92 PolarHBondContact O-OG1 3.43Å; Y89-T92 PolarHBondContact O-N 3.21Å; T92-Q94 PolarHBondContact O-N 2.92Å; T92-Q94 PolarHBondContact OG1-N 3.26Å; T92-Q94 VanDerWaalsContact OG1-N 3.16Å; T92-Q94 PolarHBondContact OG1-O 3.41Å
93	A	90.6	Very high	94.9	Very high	83 Å²	83	62.8 Å²	62.8	69%	0.686	31%	0.313	S	S	*	.	S	Bend	trans	55.2	9.4	-166.3	0	0	0	0	0	114.6	Y89	Y89-A93 VanDerWaalsContact O-CA 3.31Å; Y89-A93 WeakPolarHBondContact O-CA 3.33Å; Y89-A93 PolarHBondContact O-N 3.39Å
94	Q	92.3	Very high	94.9	Very high	131 Å²	131	65.9 Å²	65.9	61%	0.612	33%	0.329	S	S	*	.			trans	-107.3	121.8	-179.5	-171.7	178.3	42.8	0	0	110.3	Y89 T92	Y89-Q94 WeakPolarHBondContact CA-O 3.24Å; T92-Q94 PolarHBondContact O-N 2.92Å; T92-Q94 PolarHBondContact OG1-N 3.26Å; T92-Q94 VanDerWaalsContact OG1-N 3.16Å; T92-Q94 PolarHBondContact OG1-O 3.41Å
95	L	96.1	Very high	95	Very high	53 Å²	53	61.7 Å²	61.7	28%	0.277	31%	0.31	S	S	.	.			trans	-94.2	100.3	174.4	-171.8	72	0	0	0	109.2	V85 Y89 V105 V117 I120	V85-L95 HydrophobicContact CG1-CD1 3.74Å; Y89-L95 HydrophobicContact CD2-CB 3.99Å; Y89-L95 HydrophobicContact CD2-CD1 4.46Å; Y89-L95 HydrophobicContact CG-CD1 4.39Å; L95-V105 HydrophobicContact CD1-CG1 4.22Å; L95-V117 HydrophobicContact CD1-CG1 3.67Å; L95-V117 HydrophobicContact CD2-CG1 3.83Å; L95-V117 HydrophobicContact CG-CG1 4.41Å; L95-I120 HydrophobicContact CD2-CG2 4.17Å
96	K	95.3	Very high	95	Very high	171 Å²	171	61 Å²	61	74%	0.743	31%	0.306	S	S	*	.			trans	-114.8	105.3	177.6	-173.6	179.5	179.1	-176.4	0	109.2	V85	V85-K96 WeakPolarHBondContact CG2-O 3.47Å
97	A	95.6	Very high	95	Very high	37 Å²	37	62 Å²	62	31%	0.306	31%	0.314	S	S	.	.			trans	-126.9	143.7	177.5	0	0	0	0	0	109.8	V85 V102 V105	V85-A97 HydrophobicContact CG1-CB 4.15Å; V85-A97 HydrophobicContact CG2-CB 4.49Å; A97-V102 HydrophobicContact CB-CG2 4.23Å; A97-V105 HydrophobicContact CB-CG2 4.05Å
98	E	94.7	Very high	95.1	Very high	148 Å²	148	61.9 Å²	61.9	69%	0.692	31%	0.313	S	S	*	.			trans	-70.4	153.4	168.9	-60.6	-167.8	172.9	0	0	110.5	E100 L101 V102	E98-E100 PolarHBondContact O-N 3.04Å; E98-L101 HydrophobicContact CB-CB 4.5Å; E98-L101 PolarHBondContact O-N 2.83Å; E98-V102 WeakPolarHBondContact O-CG2 3.44Å; E98-V102 PolarHBondContact O-N 2.95Å
99	R	92.8	Very high	95.2	Very high	164 Å²	164	59.8 Å²	59.8	62%	0.619	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-41.5	-173.5	179	-179.3	177.4	-173	-0.9	112.4	L101	R99-L101 VanDerWaalsContact C-N 3.34Å
100	E	93.1	Very high	95.2	Very high	177 Å²	177	60.6 Å²	60.6	83%	0.827	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-31.3	-176.3	-62.8	176.6	-171.5	0	0	111.7	E98 V102	E98-E100 PolarHBondContact O-N 3.04Å; E100-V102 PolarHBondContact O-N 2.79Å
101	L	96.1	Very high	95.2	Very high	17 Å²	17	64.4 Å²	64.4	9%	0.089	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.5	-177.4	-164.3	66.9	0	0	0	113.2	E81 A82 V85 E98 R99 K103 D104 V105	E81-L101 HydrophobicContact CB-CD1 4.01Å; E81-L101 HydrophobicContact CB-CD2 3.93Å; A82-L101 HydrophobicContact CB-CD1 4.21Å; A82-L101 HydrophobicContact CB-CG 4.38Å; V85-L101 HydrophobicContact CG2-CD2 3.87Å; E98-L101 HydrophobicContact CB-CB 4.5Å; E98-L101 PolarHBondContact O-N 2.83Å; R99-L101 VanDerWaalsContact C-N 3.34Å; L101-K103 VanDerWaalsContact C-N 3.28Å; L101-K103 PolarHBondContact O-N 2.87Å; L101-D104 HydrophobicContact CD1-CB 4.21Å; L101-D104 PolarHBondContact O-N 2.96Å; L101-V105 HydrophobicContact CD2-CG2 4.29Å; L101-V105 HydrophobicContact CG-CG2 4.03Å; L101-V105 WeakPolarHBondContact O-CG2 3.2Å; L101-V105 PolarHBondContact O-N 3.46Å
102	V	96.9	Very high	95.3	Very high	9 Å²	9	64.5 Å²	64.5	6%	0.055	32%	0.317	C	S	.	.	H	α-helix	trans	-60.9	-33.6	-173.3	-176.6	0	0	0	0	113	A97 E98 E100 V105 Y106 C121 Y124 L125	A97-V102 HydrophobicContact CB-CG2 4.23Å; E98-V102 WeakPolarHBondContact O-CG2 3.44Å; E98-V102 PolarHBondContact O-N 2.95Å; E100-V102 PolarHBondContact O-N 2.79Å; V102-V105 PolarHBondContact O-N 2.99Å; V102-Y106 WeakPolarHBondContact O-CB 3.45Å; V102-Y106 PolarHBondContact O-N 2.55Å; V102-C121 HydrophobicContact CG1-CB 3.98Å; V102-Y124 HydrophobicContact CB-CD1 4.27Å; V102-Y124 HydrophobicContact CB-CE1 4.37Å; V102-Y124 HydrophobicContact CG1-CD1 3.83Å; V102-Y124 HydrophobicContact CG1-CE1 4.42Å; V102-Y124 HydrophobicContact CG2-CD1 4.02Å; V102-Y124 HydrophobicContact CG2-CE1 3.82Å; V102-L125 HydrophobicContact CB-CD2 4.19Å; V102-L125 HydrophobicContact CG1-CD2 3.94Å; V102-L125 HydrophobicContact CG1-CG 3.99Å
103	K	96	Very high	95.6	Very high	55 Å²	55	66.3 Å²	66.3	24%	0.239	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-43.9	175.4	-72.4	-176.2	-179.5	179.6	0	111	L101 Y106 S107 L125 S136 F140	L101-K103 VanDerWaalsContact C-N 3.28Å; L101-K103 PolarHBondContact O-N 2.87Å; K103-Y106 WeakPolarHBondContact O-CB 3.45Å; K103-Y106 PolarHBondContact O-N 2.92Å; K103-S107 PolarHBondContact O-N 3.38Å; K103-S107 PolarHBondContact O-OG 2.7Å; K103-L125 HydrophobicContact CG-CD1 4.47Å; K103-L125 HydrophobicContact CG-CD2 3.83Å; K103-S136 PolarHBondContact NZ-OG 2.85Å; K103-F140 HydrophobicContact CB-CD2 4.38Å; K103-F140 HydrophobicContact CB-CE2 3.84Å; K103-F140 HydrophobicContact CB-CZ 3.94Å; K103-F140 HydrophobicContact CD-CD2 4.29Å; K103-F140 HydrophobicContact CD-CG 4.39Å; K103-F140 HydrophobicContact CG-CD2 4.44Å; K103-F140 HydrophobicContact CG-CE1 4.39Å; K103-F140 HydrophobicContact CG-CE2 4.26Å; K103-F140 HydrophobicContact CG-CZ 4.22Å; K103-F140 WeakPolarHBondContact O-CZ 3.41Å
104	D	97	Very high	95.9	Very high	64 Å²	64	62.9 Å²	62.9	34%	0.342	29%	0.291	S	S	.	.	H	α-helix	trans	-69.2	-39.2	178.1	-65	-27.8	0	0	0	112	N79 A82 L101 Y106 S107 A108	N79-D104 HydrophobicContact CB-CB 3.85Å; N79-D104 PolarHBondContact ND2-OD2 3.46Å; A82-D104 HydrophobicContact CB-CB 3.64Å; L101-D104 HydrophobicContact CD1-CB 4.21Å; L101-D104 PolarHBondContact O-N 2.96Å; D104-Y106 VanDerWaalsContact C-N 3.32Å; D104-Y106 PolarHBondContact O-N 2.84Å; D104-S107 WeakPolarHBondContact O-CB 3.27Å; D104-S107 PolarHBondContact O-N 3.09Å; D104-A108 WeakPolarHBondContact O-CB 3.35Å; D104-A108 PolarHBondContact O-N 2.75Å
105	V	98.1	Very high	96	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-41.7	174.1	176.8	0	0	0	0	110.6	A82 V85 L86 L95 A97 L101 V102 A109 V117	A82-V105 HydrophobicContact CB-CG2 3.9Å; V85-V105 HydrophobicContact CB-CG2 4.03Å; V85-V105 HydrophobicContact CG1-CG1 4.11Å; V85-V105 HydrophobicContact CG1-CG2 3.99Å; V85-V105 HydrophobicContact CG2-CG2 4.33Å; L86-V105 HydrophobicContact CD2-CG1 3.85Å; L95-V105 HydrophobicContact CD1-CG1 4.22Å; A97-V105 HydrophobicContact CB-CG2 4.05Å; L101-V105 HydrophobicContact CD2-CG2 4.29Å; L101-V105 HydrophobicContact CG-CG2 4.03Å; L101-V105 WeakPolarHBondContact O-CG2 3.2Å; L101-V105 PolarHBondContact O-N 3.46Å; V102-V105 PolarHBondContact O-N 2.99Å; V105-A109 WeakPolarHBondContact O-CB 3.45Å; V105-A109 PolarHBondContact O-N 3.26Å; V105-V117 HydrophobicContact CG1-CG1 4.3Å
106	Y	97.8	Very high	96	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.3	-47.5	173.1	176.6	-77.7	0	0	0	110.9	V102 K103 D104 A109 K110 K118 C121 L125 F140 M144 D146 L149	V102-Y106 WeakPolarHBondContact O-CB 3.45Å; V102-Y106 PolarHBondContact O-N 2.55Å; K103-Y106 WeakPolarHBondContact O-CB 3.45Å; K103-Y106 PolarHBondContact O-N 2.92Å; D104-Y106 VanDerWaalsContact C-N 3.32Å; D104-Y106 PolarHBondContact O-N 2.84Å; Y106-A109 PolarHBondContact O-N 2.81Å; Y106-K110 PolarHBondContact O-N 2.79Å; Y106-K118 HydrophobicContact CD2-CG 3.95Å; Y106-K118 WeakPolarHBondContact CD2-O 3.37Å; Y106-K118 HydrophobicContact CE1-CG 4.34Å; Y106-K118 HydrophobicContact CE2-CD 4.35Å; Y106-K118 HydrophobicContact CE2-CG 3.46Å; Y106-K118 VanDerWaalsContact CE2-CG 3.46Å; Y106-K118 WeakPolarHBondContact CE2-O 3.49Å; Y106-C121 HydrophobicContact CD2-CB 3.97Å; Y106-C121 HydrophobicContact CG-CB 4.42Å; Y106-L125 HydrophobicContact CD2-CD1 4.29Å; Y106-L125 HydrophobicContact CG-CD1 4.3Å; Y106-F140 AromaticContact CD1-CE1 3.82Å; Y106-F140 HydrophobicContact CD1-CE1 3.82Å; Y106-F140 AromaticContact CD1-CZ 3.57Å; Y106-F140 HydrophobicContact CD1-CZ 3.57Å; Y106-F140 HydrophobicContact CE1-CE1 4.27Å; Y106-F140 HydrophobicContact CE1-CZ 4.3Å; Y106-F140 HydrophobicContact CG-CE1 4.23Å; Y106-F140 HydrophobicContact CG-CZ 4.13Å; Y106-M144 HydrophobicContact CD1-CE 4.16Å; Y106-M144 HydrophobicContact CD1-CG 4.22Å; Y106-M144 HydrophobicContact CE1-CB 4.09Å; Y106-M144 HydrophobicContact CE1-CE 3.97Å; Y106-M144 HydrophobicContact CE1-CG 3.84Å; Y106-D146 VanDerWaalsContact OH-CB 3.23Å; Y106-D146 WeakPolarHBondContact OH-CB 3.49Å; Y106-D146 VanDerWaalsContact OH-CG 3.28Å; Y106-D146 PolarHBondContact OH-OD2 3.06Å; Y106-L149 HydrophobicContact CE2-CD2 4.49Å
107	S	96.4	Very high	96.1	Very high	26 Å²	26	60.1 Å²	60.1	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-48.8	-179.6	-61.1	0	0	0	0	112.1	K103 D104 A109 K110 R111 M144	K103-S107 PolarHBondContact O-N 3.38Å; K103-S107 PolarHBondContact O-OG 2.7Å; D104-S107 WeakPolarHBondContact O-CB 3.27Å; D104-S107 PolarHBondContact O-N 3.09Å; S107-A109 PolarHBondContact O-N 3.19Å; S107-K110 PolarHBondContact O-N 2.88Å; S107-R111 WeakPolarHBondContact O-CB 3.49Å; S107-R111 PolarHBondContact O-N 3.33Å; S107-M144 PolarHBondContact OG-SD 3.15Å; S107-M144 VanDerWaalsContact OG-SD 3.37Å
108	A	97.2	Very high	96.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-41.5	176	0	0	0	0	0	111.7	L78 V83 L86 D104 K110 R111 F112	L78-A108 HydrophobicContact CD1-CB 4.5Å; L78-A108 HydrophobicContact CD2-CB 4.25Å; V83-A108 HydrophobicContact CG2-CB 4.29Å; L86-A108 HydrophobicContact CD1-CB 3.56Å; D104-A108 WeakPolarHBondContact O-CB 3.35Å; D104-A108 PolarHBondContact O-N 2.75Å; A108-K110 PolarHBondContact O-N 2.73Å; A108-R111 WeakPolarHBondContact O-CB 3.5Å; A108-R111 PolarHBondContact O-N 2.83Å; A108-F112 WeakPolarHBondContact O-CB 3.33Å; A108-F112 WeakPolarHBondContact O-CG 3.48Å; A108-F112 PolarHBondContact O-N 2.86Å
109	A	97.7	Very high	96.2	Very high	0 Å²	0	57 Å²	57	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.6	-41.7	178.4	0	0	0	0	0	111.6	L86 V105 Y106 S107 F112 K113 M114 V117 K118	L86-A109 HydrophobicContact CD1-CB 4.35Å; L86-A109 HydrophobicContact CD2-CB 4.09Å; V105-A109 WeakPolarHBondContact O-CB 3.45Å; V105-A109 PolarHBondContact O-N 3.26Å; Y106-A109 PolarHBondContact O-N 2.81Å; S107-A109 PolarHBondContact O-N 3.19Å; A109-F112 CarbonylContact O-C 3.51Å; A109-F112 PolarHBondContact O-N 2.78Å; A109-K113 PolarHBondContact O-N 3.28Å; A109-K113 VanDerWaalsContact O-N 3.11Å; A109-M114 HydrophobicContact CB-CB 4.27Å; A109-M114 PolarHBondContact O-N 3.05Å; A109-V117 HydrophobicContact CB-CB 4.1Å; A109-V117 HydrophobicContact CB-CG1 3.86Å; A109-K118 HydrophobicContact CB-CB 4.23Å
110	K	95.8	Very high	96.4	Very high	64 Å²	64	53.6 Å²	53.6	28%	0.278	24%	0.243	S	C	.	.	H	α-helix	trans	-61.8	-47	173.7	-174.3	177.8	-175.3	150.5	0	110.9	Y106 S107 A108 F112 K113 K118 M144 G145	Y106-K110 PolarHBondContact O-N 2.79Å; S107-K110 PolarHBondContact O-N 2.88Å; A108-K110 PolarHBondContact O-N 2.73Å; K110-F112 VanDerWaalsContact C-N 3.28Å; K110-F112 PolarHBondContact O-N 2.99Å; K110-K113 PolarHBondContact O-N 3.03Å; K110-K118 HydrophobicContact CB-CD 4Å; K110-K118 HydrophobicContact CB-CG 4.3Å; K110-K118 HydrophobicContact CG-CD 4.1Å; K110-M144 HydrophobicContact CB-CE 4.1Å; K110-M144 HydrophobicContact CD-CE 3.62Å; K110-M144 WeakPolarHBondContact CE-O 3.45Å; K110-M144 HydrophobicContact CG-CE 4.41Å; K110-M144 PolarHBondContact NZ-O 3.07Å; K110-G145 PolarHBondContact NZ-O 2.95Å
111	R	95	Very high	96.6	Very high	96 Å²	96	45.3 Å²	45.3	36%	0.362	21%	0.205	S	C	.	.	H	α-helix	trans	-58.8	-41	178.9	-172.7	69.4	179	85.1	1.9	111.9	Y56 L78 S107 A108 K113	Y56-R111 VanDerWaalsContact OH-CZ 3.3Å; Y56-R111 PolarHBondContact OH-NH1 2.93Å; Y56-R111 PolarHBondContact OH-NH2 2.81Å; L78-R111 HydrophobicContact CD1-CG 4.37Å; L78-R111 HydrophobicContact CD2-CB 4.44Å; S107-R111 WeakPolarHBondContact O-CB 3.49Å; S107-R111 PolarHBondContact O-N 3.33Å; A108-R111 WeakPolarHBondContact O-CB 3.5Å; A108-R111 PolarHBondContact O-N 2.83Å; R111-K113 PolarHBondContact O-N 2.94Å
112	F	96.2	Very high	96.6	Very high	3 Å²	3	44.5 Å²	44.5	1%	0.013	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	5.9	178.7	-70.5	3.1	0	0	0	113.3	S54 Y56 L57 F75 L78 V83 L86 A108 A109 K110 M114	S54-F112 WeakPolarHBondContact CB-O 3.36Å; S54-F112 PolarHBondContact OG-O 2.98Å; Y56-F112 HydrophobicContact CD1-CD1 4.01Å; Y56-F112 HydrophobicContact CE1-CD1 4.42Å; L57-F112 HydrophobicContact CD1-CD2 4.14Å; L57-F112 HydrophobicContact CD1-CE2 4.23Å; F75-F112 HydrophobicContact CD1-CE1 4.21Å; F75-F112 HydrophobicContact CD2-CE1 4.28Å; F75-F112 HydrophobicContact CD2-CZ 4.17Å; F75-F112 AromaticContact CE1-CE1 3.69Å; F75-F112 HydrophobicContact CE1-CE1 3.69Å; F75-F112 HydrophobicContact CE1-CZ 4.48Å; F75-F112 AromaticContact CE2-CE1 3.76Å; F75-F112 HydrophobicContact CE2-CE1 3.76Å; F75-F112 AromaticContact CE2-CZ 3.73Å; F75-F112 HydrophobicContact CE2-CZ 3.73Å; F75-F112 HydrophobicContact CG-CE1 4.49Å; F75-F112 HydrophobicContact CZ-CD1 4.41Å; F75-F112 AromaticContact CZ-CE1 3.44Å; F75-F112 HydrophobicContact CZ-CE1 3.44Å; F75-F112 VanDerWaalsContact CZ-CE1 3.44Å; F75-F112 AromaticContact CZ-CZ 3.91Å; F75-F112 HydrophobicContact CZ-CZ 3.91Å; L78-F112 HydrophobicContact CD1-CE1 3.77Å; L78-F112 HydrophobicContact CD1-CZ 4.04Å; V83-F112 HydrophobicContact CG1-CE2 4.01Å; V83-F112 HydrophobicContact CG1-CZ 4.22Å; V83-F112 HydrophobicContact CG2-CE2 4.47Å; V83-F112 HydrophobicContact CG2-CZ 4.28Å; L86-F112 HydrophobicContact CD1-CD2 3.94Å; L86-F112 HydrophobicContact CD1-CE2 4.41Å; A108-F112 WeakPolarHBondContact O-CB 3.33Å; A108-F112 WeakPolarHBondContact O-CG 3.48Å; A108-F112 PolarHBondContact O-N 2.86Å; A109-F112 CarbonylContact O-C 3.51Å; A109-F112 PolarHBondContact O-N 2.78Å; K110-F112 VanDerWaalsContact C-N 3.28Å; K110-F112 PolarHBondContact O-N 2.99Å; F112-M114 HydrophobicContact CB-CG 3.9Å; F112-M114 HydrophobicContact CB-SD 4.21Å; F112-M114 HydrophobicContact CD2-SD 4.45Å; F112-M114 PolarHBondContact O-N 3.04Å
113	K	96.8	Very high	96.5	Very high	94 Å²	94	46.9 Å²	46.9	41%	0.409	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	32.1	-177	-60.9	175.7	179.3	171.2	0	113	P55 E59 A109 K110 R111 E115	P55-K113 HydrophobicContact CB-CB 4.29Å; P55-K113 HydrophobicContact CB-CD 4.26Å; P55-K113 WeakPolarHBondContact CD-O 3.2Å; P55-K113 HydrophobicContact CG-CB 4.3Å; E59-K113 IonicContact OE1-NZ 2.61Å; E59-K113 PolarHBondContact OE1-NZ 2.92Å; E59-K113 VanDerWaalsContact OE1-NZ 3.12Å; E59-K113 IonicContact OE2-NZ 3.41Å; E59-K113 PolarHBondContact OE2-NZ 2.83Å; A109-K113 PolarHBondContact O-N 3.28Å; A109-K113 VanDerWaalsContact O-N 3.11Å; K110-K113 PolarHBondContact O-N 3.03Å; R111-K113 PolarHBondContact O-N 2.94Å; K113-E115 PolarHBondContact O-N 2.87Å; K113-E115 VanDerWaalsContact O-N 3.17Å
114	M	97.3	Very high	96.6	Very high	12 Å²	12	48.2 Å²	48.2	6%	0.059	22%	0.217	C	C	.	.			trans	-86.6	75.2	177.3	-62	-175	74	0	0	110.7	C53 L86 Y89 A109 F112 R116 V117 K118	C53-M114 HydrophobicContact CB-CE 4.09Å; L86-M114 HydrophobicContact CB-SD 4.18Å; L86-M114 HydrophobicContact CD1-SD 4.16Å; L86-M114 HydrophobicContact CD2-SD 4.27Å; L86-M114 HydrophobicContact CG-SD 4.45Å; Y89-M114 HydrophobicContact CD1-CE 3.67Å; Y89-M114 HydrophobicContact CE1-CE 3.89Å; A109-M114 HydrophobicContact CB-CB 4.27Å; A109-M114 PolarHBondContact O-N 3.05Å; F112-M114 HydrophobicContact CB-CG 3.9Å; F112-M114 HydrophobicContact CB-SD 4.21Å; F112-M114 HydrophobicContact CD2-SD 4.45Å; F112-M114 PolarHBondContact O-N 3.04Å; M114-R116 PolarHBondContact O-N 2.87Å; M114-V117 HydrophobicContact CB-CB 4.34Å; M114-V117 HydrophobicContact CE-CG2 4.24Å; M114-V117 PolarHBondContact O-N 3.45Å; M114-K118 PolarHBondContact O-N 2.8Å
115	E	95.1	Very high	96.5	Very high	109 Å²	109	45.4 Å²	45.4	51%	0.509	20%	0.202	S	C	.	.	H	α-helix	trans	-59.2	-40.8	-165.5	-168.7	59.5	-157.2	0	0	114.1	K113 K118 Q119	K113-E115 PolarHBondContact O-N 2.87Å; K113-E115 VanDerWaalsContact O-N 3.17Å; E115-K118 PolarHBondContact O-N 2.89Å; E115-K118 WeakPolarHBondContact OE1-CE 3.24Å; E115-K118 IonicContact OE1-NZ 3.83Å; E115-K118 PolarHBondContact OE1-NZ 2.95Å; E115-K118 WeakPolarHBondContact OE2-CE 3.47Å; E115-K118 IonicContact OE2-NZ 3.81Å; E115-K118 PolarHBondContact OE2-NZ 2.74Å; E115-Q119 WeakPolarHBondContact O-CB 3.3Å; E115-Q119 PolarHBondContact O-N 2.97Å
116	R	95.6	Very high	96.3	Very high	185 Å²	185	47 Å²	47	70%	0.698	21%	0.21	S	C	*	.	H	α-helix	trans	-64.5	-43.1	179.2	-175.9	173.8	175.9	144.9	-2.2	112.2	M114 Q119 I120	M114-R116 PolarHBondContact O-N 2.87Å; R116-Q119 PolarHBondContact O-N 2.69Å; R116-I120 WeakPolarHBondContact O-CG1 3.38Å; R116-I120 PolarHBondContact O-N 3.42Å; R116-I120 VanDerWaalsContact O-N 3.08Å
117	V	97.1	Very high	96.2	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-66.2	-46.1	177.4	177.2	0	0	0	0	109.9	L86 Y89 L95 V105 A109 M114 Q119 I120 C121	L86-V117 HydrophobicContact CD2-CB 4.44Å; L86-V117 HydrophobicContact CD2-CG1 3.61Å; Y89-V117 HydrophobicContact CD1-CG2 3.56Å; Y89-V117 HydrophobicContact CD2-CG2 4.4Å; Y89-V117 HydrophobicContact CE1-CG2 3.29Å; Y89-V117 HydrophobicContact CE2-CG2 4.2Å; Y89-V117 HydrophobicContact CG-CG2 4.1Å; L95-V117 HydrophobicContact CD1-CG1 3.67Å; L95-V117 HydrophobicContact CD2-CG1 3.83Å; L95-V117 HydrophobicContact CG-CG1 4.41Å; V105-V117 HydrophobicContact CG1-CG1 4.3Å; A109-V117 HydrophobicContact CB-CB 4.1Å; A109-V117 HydrophobicContact CB-CG1 3.86Å; M114-V117 HydrophobicContact CB-CB 4.34Å; M114-V117 HydrophobicContact CE-CG2 4.24Å; M114-V117 PolarHBondContact O-N 3.45Å; V117-Q119 VanDerWaalsContact C-N 3.29Å; V117-Q119 PolarHBondContact O-N 3.11Å; V117-I120 PolarHBondContact O-N 3.23Å; V117-C121 WeakPolarHBondContact O-CB 3.19Å; V117-C121 PolarHBondContact O-N 3.26Å; V117-C121 PolarHBondContact O-SG 3.06Å; V117-C121 VanDerWaalsContact O-SG 3.35Å
118	K	96.5	Very high	96.2	Very high	28 Å²	28	53.4 Å²	53.4	12%	0.122	25%	0.245	C	C	.	.	H	α-helix	trans	-53.8	-46.3	174.9	-171.6	-162.9	79.4	-170.7	0	111.5	Y106 A109 K110 M114 E115 G122	Y106-K118 HydrophobicContact CD2-CG 3.95Å; Y106-K118 WeakPolarHBondContact CD2-O 3.37Å; Y106-K118 HydrophobicContact CE1-CG 4.34Å; Y106-K118 HydrophobicContact CE2-CD 4.35Å; Y106-K118 HydrophobicContact CE2-CG 3.46Å; Y106-K118 VanDerWaalsContact CE2-CG 3.46Å; Y106-K118 WeakPolarHBondContact CE2-O 3.49Å; A109-K118 HydrophobicContact CB-CB 4.23Å; K110-K118 HydrophobicContact CB-CD 4Å; K110-K118 HydrophobicContact CB-CG 4.3Å; K110-K118 HydrophobicContact CG-CD 4.1Å; M114-K118 PolarHBondContact O-N 2.8Å; E115-K118 PolarHBondContact O-N 2.89Å; E115-K118 WeakPolarHBondContact OE1-CE 3.24Å; E115-K118 IonicContact OE1-NZ 3.83Å; E115-K118 PolarHBondContact OE1-NZ 2.95Å; E115-K118 WeakPolarHBondContact OE2-CE 3.47Å; E115-K118 IonicContact OE2-NZ 3.81Å; E115-K118 PolarHBondContact OE2-NZ 2.74Å; K118-G122 PolarHBondContact O-N 2.81Å
119	Q	95.5	Very high	96.1	Very high	90 Å²	90	54.4 Å²	54.4	42%	0.421	25%	0.25	S	S	.	.	H	α-helix	trans	-62.6	-48.7	179.5	-175.7	175.2	0.7	0	0	112	E115 R116 V117 G122 D123	E115-Q119 WeakPolarHBondContact O-CB 3.3Å; E115-Q119 PolarHBondContact O-N 2.97Å; R116-Q119 PolarHBondContact O-N 2.69Å; V117-Q119 VanDerWaalsContact C-N 3.29Å; V117-Q119 PolarHBondContact O-N 3.11Å; Q119-G122 PolarHBondContact O-N 2.74Å; Q119-D123 VanDerWaalsContact O-CG 3.23Å; Q119-D123 PolarHBondContact O-N 2.85Å
120	I	97	Very high	96	Very high	93 Å²	93	57 Å²	57	48%	0.477	26%	0.264	S	S	.	.	H	α-helix	trans	-63.3	-44.1	179.3	-67	-68.2	0	0	0	111.4	L95 R116 V117 G122 D123 Y124	L95-I120 HydrophobicContact CD2-CG2 4.17Å; R116-I120 WeakPolarHBondContact O-CG1 3.38Å; R116-I120 PolarHBondContact O-N 3.42Å; R116-I120 VanDerWaalsContact O-N 3.08Å; V117-I120 PolarHBondContact O-N 3.23Å; I120-G122 VanDerWaalsContact C-N 3.33Å; I120-G122 PolarHBondContact O-N 2.79Å; I120-D123 PolarHBondContact O-N 3.14Å; I120-Y124 WeakPolarHBondContact O-CB 3.43Å; I120-Y124 PolarHBondContact O-N 3.41Å
121	C	97.4	Very high	95.9	Very high	4 Å²	4	55.3 Å²	55.3	3%	0.027	26%	0.261	C	S	.	.	H	α-helix	trans	-60.4	-44.6	173.8	-68.9	0	0	0	0	110.9	V102 Y106 V117 D123 Y124 L125	V102-C121 HydrophobicContact CG1-CB 3.98Å; Y106-C121 HydrophobicContact CD2-CB 3.97Å; Y106-C121 HydrophobicContact CG-CB 4.42Å; V117-C121 WeakPolarHBondContact O-CB 3.19Å; V117-C121 PolarHBondContact O-N 3.26Å; V117-C121 PolarHBondContact O-SG 3.06Å; V117-C121 VanDerWaalsContact O-SG 3.35Å; C121-D123 PolarHBondContact O-N 2.89Å; C121-Y124 PolarHBondContact O-N 2.89Å; C121-L125 WeakPolarHBondContact O-CB 3.5Å; C121-L125 WeakPolarHBondContact O-CG 3.24Å; C121-L125 PolarHBondContact O-N 2.97Å
122	G	96.4	Very high	95.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-42.4	177.7	0	0	0	0	0	113	K118 Q119 I120 L125 L126	K118-G122 PolarHBondContact O-N 2.81Å; Q119-G122 PolarHBondContact O-N 2.74Å; I120-G122 VanDerWaalsContact C-N 3.33Å; I120-G122 PolarHBondContact O-N 2.79Å; G122-L125 PolarHBondContact O-N 2.63Å; G122-L126 VanDerWaalsContact O-CG 3.31Å; G122-L126 WeakPolarHBondContact O-CG 3.48Å; G122-L126 PolarHBondContact O-N 2.69Å
123	D	95.8	Very high	95.8	Very high	58 Å²	58	58.3 Å²	58.3	31%	0.31	28%	0.28	S	S	.	.	H	α-helix	trans	-68.8	-37.3	177.8	-64.5	-16.9	0	0	0	111.3	Q119 I120 C121 L126 S127 R148	Q119-D123 VanDerWaalsContact O-CG 3.23Å; Q119-D123 PolarHBondContact O-N 2.85Å; I120-D123 PolarHBondContact O-N 3.14Å; C121-D123 PolarHBondContact O-N 2.89Å; D123-L126 PolarHBondContact O-N 2.9Å; D123-S127 PolarHBondContact O-N 3.1Å; D123-S127 VanDerWaalsContact O-N 3.08Å; D123-R148 IonicContact OD1-CZ 3.43Å; D123-R148 IonicContact OD1-NH1 2.75Å; D123-R148 PolarHBondContact OD1-NH1 2.87Å; D123-R148 IonicContact OD1-NH2 3.58Å; D123-R148 PolarHBondContact OD1-NH2 2.88Å
124	Y	96.4	Very high	95.7	Very high	84 Å²	84	53.9 Å²	53.9	33%	0.329	26%	0.26	S	S	.	.	H	α-helix	trans	-62.2	-48.1	170.7	177	-88.2	0	0	0	111.8	V102 I120 C121 L126 S127 K128	V102-Y124 HydrophobicContact CB-CD1 4.27Å; V102-Y124 HydrophobicContact CB-CE1 4.37Å; V102-Y124 HydrophobicContact CG1-CD1 3.83Å; V102-Y124 HydrophobicContact CG1-CE1 4.42Å; V102-Y124 HydrophobicContact CG2-CD1 4.02Å; V102-Y124 HydrophobicContact CG2-CE1 3.82Å; I120-Y124 WeakPolarHBondContact O-CB 3.43Å; I120-Y124 PolarHBondContact O-N 3.41Å; C121-Y124 PolarHBondContact O-N 2.89Å; Y124-L126 VanDerWaalsContact C-N 3.29Å; Y124-L126 PolarHBondContact O-N 3.5Å; Y124-S127 WeakPolarHBondContact O-CB 3.26Å; Y124-S127 PolarHBondContact O-N 2.8Å; Y124-S127 PolarHBondContact O-OG 2.97Å; Y124-K128 HydrophobicContact CD1-CG 4.38Å; Y124-K128 HydrophobicContact CE1-CG 3.94Å; Y124-K128 PolarHBondContact O-N 3.19Å
125	L	95.7	Very high	95.6	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-56.5	-44.7	178.1	-75.5	175.3	0	0	0	110.8	V102 K103 Y106 C121 G122 S127 K128 V129 F137 F140	V102-L125 HydrophobicContact CB-CD2 4.19Å; V102-L125 HydrophobicContact CG1-CD2 3.94Å; V102-L125 HydrophobicContact CG1-CG 3.99Å; K103-L125 HydrophobicContact CG-CD1 4.47Å; K103-L125 HydrophobicContact CG-CD2 3.83Å; Y106-L125 HydrophobicContact CD2-CD1 4.29Å; Y106-L125 HydrophobicContact CG-CD1 4.3Å; C121-L125 WeakPolarHBondContact O-CB 3.5Å; C121-L125 WeakPolarHBondContact O-CG 3.24Å; C121-L125 PolarHBondContact O-N 2.97Å; G122-L125 PolarHBondContact O-N 2.63Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 2.89Å; L125-K128 PolarHBondContact O-N 3.02Å; L125-K128 VanDerWaalsContact O-N 3.07Å; L125-V129 PolarHBondContact O-N 2.91Å; L125-F137 HydrophobicContact CB-CD1 4.2Å; L125-F137 HydrophobicContact CB-CE1 3.64Å; L125-F137 HydrophobicContact CD2-CE1 3.51Å; L125-F137 HydrophobicContact CD2-CZ 4.11Å; L125-F137 HydrophobicContact CG-CE1 4.06Å; L125-F137 WeakPolarHBondContact O-CE1 3.46Å; L125-F140 HydrophobicContact CD1-CD1 4.5Å; L125-F140 HydrophobicContact CD1-CE1 3.78Å; L125-F140 HydrophobicContact CD1-CZ 4.49Å
126	L	94.8	Very high	95.6	Very high	34 Å²	34	50.3 Å²	50.3	18%	0.178	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-37.9	174.8	-74.1	165.2	0	0	0	113.4	G122 D123 Y124 K128 V129 L149 K152 V153	G122-L126 VanDerWaalsContact O-CG 3.31Å; G122-L126 WeakPolarHBondContact O-CG 3.48Å; G122-L126 PolarHBondContact O-N 2.69Å; D123-L126 PolarHBondContact O-N 2.9Å; Y124-L126 VanDerWaalsContact C-N 3.29Å; Y124-L126 PolarHBondContact O-N 3.5Å; L126-K128 PolarHBondContact O-N 2.93Å; L126-K128 VanDerWaalsContact O-N 3.16Å; L126-V129 PolarHBondContact O-N 3.03Å; L126-L149 HydrophobicContact CD1-CD1 3.84Å; L126-L149 HydrophobicContact CD2-CD1 3.69Å; L126-L149 HydrophobicContact CG-CD1 3.46Å; L126-L149 VanDerWaalsContact CG-CD1 3.46Å; L126-K152 HydrophobicContact CD1-CB 4.28Å; L126-K152 HydrophobicContact CD1-CD 3.42Å; L126-K152 VanDerWaalsContact CD1-CD 3.42Å; L126-K152 HydrophobicContact CD1-CG 4.5Å; L126-K152 HydrophobicContact CD2-CB 3.6Å; L126-K152 HydrophobicContact CD2-CD 4.26Å; L126-K152 HydrophobicContact CG-CD 4.46Å; L126-V153 HydrophobicContact CD2-CG2 3.96Å
127	S	95.5	Very high	95.5	Very high	78 Å²	78	42.3 Å²	42.3	55%	0.545	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-11.2	176.6	80.9	0	0	0	0	113.9	D123 Y124 L125	D123-S127 PolarHBondContact O-N 3.1Å; D123-S127 VanDerWaalsContact O-N 3.08Å; Y124-S127 WeakPolarHBondContact O-CB 3.26Å; Y124-S127 PolarHBondContact O-N 2.8Å; Y124-S127 PolarHBondContact O-OG 2.97Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 2.89Å
128	K	94.9	Very high	95.4	Very high	82 Å²	82	42.5 Å²	42.5	36%	0.357	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	4.2	179.8	-58.2	-56.4	173.9	-166.2	0	113.1	Y124 L125 L126 D130 N133	Y124-K128 HydrophobicContact CD1-CG 4.38Å; Y124-K128 HydrophobicContact CE1-CG 3.94Å; Y124-K128 PolarHBondContact O-N 3.19Å; L125-K128 PolarHBondContact O-N 3.02Å; L125-K128 VanDerWaalsContact O-N 3.07Å; L126-K128 PolarHBondContact O-N 2.93Å; L126-K128 VanDerWaalsContact O-N 3.16Å; K128-D130 PolarHBondContact O-N 3.5Å; K128-N133 PolarHBondContact O-ND2 2.88Å
129	V	95.3	Very high	95.2	Very high	20 Å²	20	44.8 Å²	44.8	12%	0.121	23%	0.233	C	C	.	.			trans	-68.8	127.3	173.5	176.2	0	0	0	0	108.7	L125 L126 N133 A134 F137 V153 Y156	L125-V129 PolarHBondContact O-N 2.91Å; L126-V129 PolarHBondContact O-N 3.03Å; V129-N133 WeakPolarHBondContact CA-OD1 3.44Å; V129-A134 HydrophobicContact CG1-CB 4.2Å; V129-F137 HydrophobicContact CG2-CB 4.22Å; V129-F137 HydrophobicContact CG2-CD1 4.1Å; V129-F137 HydrophobicContact CG2-CD2 4.42Å; V129-F137 HydrophobicContact CG2-CG 4.01Å; V129-V153 HydrophobicContact CG2-CG2 4.26Å; V129-Y156 HydrophobicContact CG1-CD1 3.49Å; V129-Y156 VanDerWaalsContact CG1-CD1 3.49Å; V129-Y156 HydrophobicContact CG1-CD2 4.3Å; V129-Y156 HydrophobicContact CG1-CE1 3.83Å; V129-Y156 HydrophobicContact CG1-CG 3.76Å
130	D	95.6	Very high	95.2	Very high	55 Å²	55	41.7 Å²	41.7	29%	0.294	22%	0.218	S	C	.	.			trans	-137.1	174.6	173.1	59.8	41.4	0	0	0	109.6	K128 Q132 N133 A134 Y156	K128-D130 PolarHBondContact O-N 3.5Å; D130-Q132 VanDerWaalsContact C-N 3.26Å; D130-Q132 PolarHBondContact O-N 3.18Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.33Å; D130-Q132 PolarHBondContact OD1-N 3.14Å; D130-Q132 VanDerWaalsContact OD1-N 3.08Å; D130-N133 PolarHBondContact N-OD1 3.49Å; D130-N133 PolarHBondContact O-N 3.22Å; D130-N133 PolarHBondContact O-OD1 2.82Å; D130-N133 PolarHBondContact OD1-N 2.86Å; D130-N133 PolarHBondContact OD1-ND2 2.99Å; D130-N133 PolarHBondContact OD1-OD1 2.68Å; D130-N133 PolarHBondContact OD2-ND2 2.77Å; D130-A134 WeakPolarHBondContact O-CB 3.41Å; D130-A134 PolarHBondContact O-N 3.37Å; D130-Y156 WeakPolarHBondContact CA-OH 3.27Å
131	S	94.7	Very high	95	Very high	28 Å²	28	37.2 Å²	37.2	20%	0.196	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-37.3	-178.3	52.9	0	0	0	0	112.6	N133 Y156 Q167	S131-N133 PolarHBondContact O-N 2.82Å; S131-Y156 PolarHBondContact N-OH 3.47Å; S131-Q167 WeakPolarHBondContact O-CG 3.17Å
132	Q	94.9	Very high	94.7	Very high	136 Å²	136	39.9 Å²	39.9	64%	0.636	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-34.7	-177.8	-58.6	-173.7	-7.8	0	0	112.5	D130	D130-Q132 VanDerWaalsContact C-N 3.26Å; D130-Q132 PolarHBondContact O-N 3.18Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.33Å; D130-Q132 PolarHBondContact OD1-N 3.14Å; D130-Q132 VanDerWaalsContact OD1-N 3.08Å
133	N	94.3	Very high	94.5	Very high	27 Å²	27	44.3 Å²	44.3	14%	0.144	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-6.5	-171	71.3	38.7	0	0	0	114.6	K128 V129 D130 S131 I135 S136 F137	K128-N133 PolarHBondContact O-ND2 2.88Å; V129-N133 WeakPolarHBondContact CA-OD1 3.44Å; D130-N133 PolarHBondContact N-OD1 3.49Å; D130-N133 PolarHBondContact O-N 3.22Å; D130-N133 PolarHBondContact O-OD1 2.82Å; D130-N133 PolarHBondContact OD1-N 2.86Å; D130-N133 PolarHBondContact OD1-ND2 2.99Å; D130-N133 PolarHBondContact OD1-OD1 2.68Å; D130-N133 PolarHBondContact OD2-ND2 2.77Å; S131-N133 PolarHBondContact O-N 2.82Å; N133-I135 VanDerWaalsContact C-N 3.29Å; N133-I135 PolarHBondContact O-N 3.26Å; N133-S136 WeakPolarHBondContact O-CB 3.32Å; N133-S136 PolarHBondContact O-N 2.9Å; N133-F137 HydrophobicContact CB-CD2 3.93Å; N133-F137 HydrophobicContact CB-CE2 3.95Å; N133-F137 VanDerWaalsContact CG-CE2 3.47Å; N133-F137 WeakPolarHBondContact O-CD2 3.37Å; N133-F137 PolarHBondContact O-N 2.8Å; N133-F137 WeakPolarHBondContact OD1-CD2 3.34Å; N133-F137 WeakPolarHBondContact OD1-CE2 3.21Å
134	A	95.1	Very high	94.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-53.3	-41.8	-173.8	0	0	0	0	0	113.7	V129 D130 F137 R138 V153 Y156 I157 V164	V129-A134 HydrophobicContact CG1-CB 4.2Å; D130-A134 WeakPolarHBondContact O-CB 3.41Å; D130-A134 PolarHBondContact O-N 3.37Å; A134-F137 PolarHBondContact O-N 3.13Å; A134-R138 WeakPolarHBondContact O-CB 3.48Å; A134-R138 PolarHBondContact O-N 3.5Å; A134-V153 WeakPolarHBondContact O-CG1 3.45Å; A134-Y156 HydrophobicContact CB-CD1 4.05Å; A134-Y156 HydrophobicContact CB-CE1 4.14Å; A134-I157 HydrophobicContact CB-CD1 4.27Å; A134-I157 HydrophobicContact CB-CG1 3.77Å; A134-V164 HydrophobicContact CB-CG2 4.21Å
135	I	95.3	Very high	93.9	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-43.8	178.6	-58.4	-57.5	0	0	0	111.4	N133 F137 R138 N139 I157 V164 D169 F170 L173 L310 L317	N133-I135 VanDerWaalsContact C-N 3.29Å; N133-I135 PolarHBondContact O-N 3.26Å; I135-F137 PolarHBondContact O-N 3.47Å; I135-R138 WeakPolarHBondContact O-CB 3.23Å; I135-R138 PolarHBondContact O-N 2.8Å; I135-N139 VanDerWaalsContact O-CG 3.32Å; I135-N139 PolarHBondContact O-N 2.8Å; I135-N139 PolarHBondContact O-ND2 2.97Å; I135-I157 HydrophobicContact CD1-CD1 4.17Å; I135-V164 HydrophobicContact CD1-CG1 3.89Å; I135-V164 HydrophobicContact CG1-CG1 3.98Å; I135-D169 HydrophobicContact CB-CB 4.07Å; I135-D169 HydrophobicContact CG2-CB 4.26Å; I135-F170 HydrophobicContact CD1-CD2 4.18Å; I135-F170 HydrophobicContact CG1-CB 4.4Å; I135-L173 HydrophobicContact CG2-CD2 4.4Å; I135-L310 HydrophobicContact CD1-CD2 3.87Å; I135-L317 HydrophobicContact CG2-CD2 4.02Å
136	S	93.8	Very high	93.6	Very high	43 Å²	43	42.6 Å²	42.6	30%	0.301	25%	0.254	S	S	.	.	H	α-helix	trans	-60	-44.1	174.8	-179.9	0	0	0	0	112	K103 N133 N139 F140	K103-S136 PolarHBondContact NZ-OG 2.85Å; N133-S136 WeakPolarHBondContact O-CB 3.32Å; N133-S136 PolarHBondContact O-N 2.9Å; S136-N139 PolarHBondContact O-N 2.78Å; S136-F140 WeakPolarHBondContact O-CB 3.48Å; S136-F140 PolarHBondContact O-N 2.8Å
137	F	94.3	Very high	93.4	Very high	16 Å²	16	43.6 Å²	43.6	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-65.9	-37.3	176.4	-86.4	-91.6	0	0	0	112.6	L125 V129 N133 A134 I135 F140 A141 V153	L125-F137 HydrophobicContact CB-CD1 4.2Å; L125-F137 HydrophobicContact CB-CE1 3.64Å; L125-F137 HydrophobicContact CD2-CE1 3.51Å; L125-F137 HydrophobicContact CD2-CZ 4.11Å; L125-F137 HydrophobicContact CG-CE1 4.06Å; L125-F137 WeakPolarHBondContact O-CE1 3.46Å; V129-F137 HydrophobicContact CG2-CB 4.22Å; V129-F137 HydrophobicContact CG2-CD1 4.1Å; V129-F137 HydrophobicContact CG2-CD2 4.42Å; V129-F137 HydrophobicContact CG2-CG 4.01Å; N133-F137 HydrophobicContact CB-CD2 3.93Å; N133-F137 HydrophobicContact CB-CE2 3.95Å; N133-F137 VanDerWaalsContact CG-CE2 3.47Å; N133-F137 WeakPolarHBondContact O-CD2 3.37Å; N133-F137 PolarHBondContact O-N 2.8Å; N133-F137 WeakPolarHBondContact OD1-CD2 3.34Å; N133-F137 WeakPolarHBondContact OD1-CE2 3.21Å; A134-F137 PolarHBondContact O-N 3.13Å; I135-F137 PolarHBondContact O-N 3.47Å; F137-F140 PolarHBondContact O-N 3.36Å; F137-A141 WeakPolarHBondContact O-CB 3.41Å; F137-A141 PolarHBondContact O-N 2.9Å; F137-V153 HydrophobicContact CB-CG1 4.39Å; F137-V153 HydrophobicContact CB-CG2 4.34Å
138	R	94.3	Very high	93.3	Very high	8 Å²	8	44.3 Å²	44.3	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-64.1	-47.8	175.9	-167.6	-168.9	179.8	-79.3	-11.3	111.4	A134 I135 F140 A141 S142 L150 V153 D154 I157 I297	A134-R138 WeakPolarHBondContact O-CB 3.48Å; A134-R138 PolarHBondContact O-N 3.5Å; I135-R138 WeakPolarHBondContact O-CB 3.23Å; I135-R138 PolarHBondContact O-N 2.8Å; R138-F140 VanDerWaalsContact C-N 3.29Å; R138-F140 PolarHBondContact O-N 3.05Å; R138-A141 PolarHBondContact O-N 3.42Å; R138-S142 WeakPolarHBondContact O-CB 3.41Å; R138-S142 PolarHBondContact O-N 3.45Å; R138-L150 HydrophobicContact CG-CD1 3.64Å; R138-V153 HydrophobicContact CB-CG1 3.74Å; R138-V153 HydrophobicContact CG-CG1 4.33Å; R138-D154 IonicContact CZ-OD1 3.2Å; R138-D154 IonicContact NE-OD1 3.7Å; R138-D154 PolarHBondContact NE-OD1 2.79Å; R138-D154 IonicContact NH2-OD1 2.66Å; R138-D154 PolarHBondContact NH2-OD1 3.4Å; R138-D154 IonicContact NH2-OD2 2.8Å; R138-I157 HydrophobicContact CB-CD1 4.12Å; R138-I157 HydrophobicContact CG-CD1 4.3Å; R138-I297 VanDerWaalsContact NE-CD1 3.33Å
139	N	93.1	Very high	93.2	Very high	75 Å²	75	40.4 Å²	40.4	40%	0.401	25%	0.246	S	C	.	.	H	α-helix	trans	-60.9	-41.1	178.1	-72	-17.6	0	0	0	111.2	I135 S136 S142 S143 L317	I135-N139 VanDerWaalsContact O-CG 3.32Å; I135-N139 PolarHBondContact O-N 2.8Å; I135-N139 PolarHBondContact O-ND2 2.97Å; S136-N139 PolarHBondContact O-N 2.78Å; N139-S142 PolarHBondContact O-N 3.29Å; N139-S143 WeakPolarHBondContact O-CB 3.23Å; N139-S143 PolarHBondContact O-N 2.76Å; N139-S143 PolarHBondContact O-OG 3.19Å; N139-L317 WeakPolarHBondContact OD1-CD2 3.09Å
140	F	94	Very high	93.1	Very high	25 Å²	25	40.9 Å²	40.9	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-48.9	171.9	175.7	-100.9	0	0	0	112.2	K103 Y106 L125 S136 F137 R138 S142 S143 M144 L149	K103-F140 HydrophobicContact CB-CD2 4.38Å; K103-F140 HydrophobicContact CB-CE2 3.84Å; K103-F140 HydrophobicContact CB-CZ 3.94Å; K103-F140 HydrophobicContact CD-CD2 4.29Å; K103-F140 HydrophobicContact CD-CG 4.39Å; K103-F140 HydrophobicContact CG-CD2 4.44Å; K103-F140 HydrophobicContact CG-CE1 4.39Å; K103-F140 HydrophobicContact CG-CE2 4.26Å; K103-F140 HydrophobicContact CG-CZ 4.22Å; K103-F140 WeakPolarHBondContact O-CZ 3.41Å; Y106-F140 AromaticContact CD1-CE1 3.82Å; Y106-F140 HydrophobicContact CD1-CE1 3.82Å; Y106-F140 AromaticContact CD1-CZ 3.57Å; Y106-F140 HydrophobicContact CD1-CZ 3.57Å; Y106-F140 HydrophobicContact CE1-CE1 4.27Å; Y106-F140 HydrophobicContact CE1-CZ 4.3Å; Y106-F140 HydrophobicContact CG-CE1 4.23Å; Y106-F140 HydrophobicContact CG-CZ 4.13Å; L125-F140 HydrophobicContact CD1-CD1 4.5Å; L125-F140 HydrophobicContact CD1-CE1 3.78Å; L125-F140 HydrophobicContact CD1-CZ 4.49Å; S136-F140 WeakPolarHBondContact O-CB 3.48Å; S136-F140 PolarHBondContact O-N 2.8Å; F137-F140 PolarHBondContact O-N 3.36Å; R138-F140 VanDerWaalsContact C-N 3.29Å; R138-F140 PolarHBondContact O-N 3.05Å; F140-S142 VanDerWaalsContact C-N 3.27Å; F140-S142 PolarHBondContact O-N 3.21Å; F140-S143 PolarHBondContact O-N 2.84Å; F140-S143 PolarHBondContact O-OG 2.79Å; F140-M144 HydrophobicContact CD1-CG 4.44Å; F140-M144 HydrophobicContact CD2-CG 4.25Å; F140-M144 HydrophobicContact CE1-CG 4.1Å; F140-M144 HydrophobicContact CE2-CG 3.9Å; F140-M144 HydrophobicContact CE2-SD 4.09Å; F140-M144 HydrophobicContact CZ-CG 3.82Å; F140-M144 HydrophobicContact CZ-SD 4.32Å; F140-M144 WeakPolarHBondContact O-CB 3.33Å; F140-M144 VanDerWaalsContact O-CG 3.23Å; F140-M144 WeakPolarHBondContact O-CG 3.37Å; F140-M144 PolarHBondContact O-N 2.76Å; F140-L149 HydrophobicContact CD1-CD2 4.27Å; F140-L149 HydrophobicContact CE1-CD2 4.26Å
141	A	93.5	Very high	93	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-37.6	179.2	0	0	0	0	0	112.6	F137 R138 G145 D146 L149 L150	F137-A141 WeakPolarHBondContact O-CB 3.41Å; F137-A141 PolarHBondContact O-N 2.9Å; R138-A141 PolarHBondContact O-N 3.42Å; A141-G145 PolarHBondContact O-N 2.86Å; A141-G145 VanDerWaalsContact O-N 3.11Å; A141-D146 PolarHBondContact O-N 2.93Å; A141-L149 HydrophobicContact CB-CB 4.08Å; A141-L149 HydrophobicContact CB-CD2 3.83Å; A141-L149 HydrophobicContact CB-CG 3.75Å; A141-L150 HydrophobicContact CB-CB 4.02Å; A141-L150 HydrophobicContact CB-CD1 4.13Å
142	S	91.9	Very high	93	Very high	59 Å²	59	44.6 Å²	44.6	41%	0.413	27%	0.268	S	S	.	.	H	α-helix	trans	-65.9	-49.6	175.3	-172.7	0	0	0	0	111.9	R138 N139 F140 M144 G145	R138-S142 WeakPolarHBondContact O-CB 3.41Å; R138-S142 PolarHBondContact O-N 3.45Å; N139-S142 PolarHBondContact O-N 3.29Å; F140-S142 VanDerWaalsContact C-N 3.27Å; F140-S142 PolarHBondContact O-N 3.21Å; S142-M144 PolarHBondContact O-N 2.8Å; S142-G145 PolarHBondContact O-N 3.36Å
143	S	90.8	Very high	93.1	Very high	94 Å²	94	38.1 Å²	38.1	66%	0.657	24%	0.238	S	C	*	.	H	α-helix	trans	-62.6	-33.9	178.9	70.3	0	0	0	0	112.3	N139 F140 G145	N139-S143 WeakPolarHBondContact O-CB 3.23Å; N139-S143 PolarHBondContact O-N 2.76Å; N139-S143 PolarHBondContact O-OG 3.19Å; F140-S143 PolarHBondContact O-N 2.84Å; F140-S143 PolarHBondContact O-OG 2.79Å; S143-G145 VanDerWaalsContact C-N 3.31Å
144	M	91.1	Very high	93.2	Very high	38 Å²	38	37.3 Å²	37.3	19%	0.187	23%	0.233	C	C	.	.	H	α-helix	trans	-71.8	-26.3	173.5	-64.6	-51.5	-57.6	0	0	111.7	Y106 S107 K110 F140 S142	Y106-M144 HydrophobicContact CD1-CE 4.16Å; Y106-M144 HydrophobicContact CD1-CG 4.22Å; Y106-M144 HydrophobicContact CE1-CB 4.09Å; Y106-M144 HydrophobicContact CE1-CE 3.97Å; Y106-M144 HydrophobicContact CE1-CG 3.84Å; S107-M144 PolarHBondContact OG-SD 3.15Å; S107-M144 VanDerWaalsContact OG-SD 3.37Å; K110-M144 HydrophobicContact CB-CE 4.1Å; K110-M144 HydrophobicContact CD-CE 3.62Å; K110-M144 WeakPolarHBondContact CE-O 3.45Å; K110-M144 HydrophobicContact CG-CE 4.41Å; K110-M144 PolarHBondContact NZ-O 3.07Å; F140-M144 HydrophobicContact CD1-CG 4.44Å; F140-M144 HydrophobicContact CD2-CG 4.25Å; F140-M144 HydrophobicContact CE1-CG 4.1Å; F140-M144 HydrophobicContact CE2-CG 3.9Å; F140-M144 HydrophobicContact CE2-SD 4.09Å; F140-M144 HydrophobicContact CZ-CG 3.82Å; F140-M144 HydrophobicContact CZ-SD 4.32Å; F140-M144 WeakPolarHBondContact O-CB 3.33Å; F140-M144 VanDerWaalsContact O-CG 3.23Å; F140-M144 WeakPolarHBondContact O-CG 3.37Å; F140-M144 PolarHBondContact O-N 2.76Å; S142-M144 PolarHBondContact O-N 2.8Å
145	G	89.8	Confident	93.2	Very high	57 Å²	57	39.4 Å²	39.4	59%	0.588	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	40.7	-171.5	0	0	0	0	0	112.2	K110 A141 S142 S143	K110-G145 PolarHBondContact NZ-O 2.95Å; A141-G145 PolarHBondContact O-N 2.86Å; A141-G145 VanDerWaalsContact O-N 3.11Å; S142-G145 PolarHBondContact O-N 3.36Å; S143-G145 VanDerWaalsContact C-N 3.31Å
146	D	89.6	Confident	93.2	Very high	16 Å²	16	42 Å²	42	9%	0.086	26%	0.261	C	S	.	.			trans	-103	99.1	171.9	-175.2	-20.7	0	0	0	110	Y106 A141 R148 L149 L150	Y106-D146 VanDerWaalsContact OH-CB 3.23Å; Y106-D146 WeakPolarHBondContact OH-CB 3.49Å; Y106-D146 VanDerWaalsContact OH-CG 3.28Å; Y106-D146 PolarHBondContact OH-OD2 3.06Å; A141-D146 PolarHBondContact O-N 2.93Å; D146-R148 VanDerWaalsContact C-N 3.26Å; D146-R148 PolarHBondContact O-N 3.44Å; D146-R148 WeakPolarHBondContact OD1-CA 3.5Å; D146-R148 WeakPolarHBondContact OD1-CB 3.09Å; D146-R148 PolarHBondContact OD1-N 2.78Å; D146-L149 HydrophobicContact CB-CB 4.06Å; D146-L149 PolarHBondContact O-N 3.47Å; D146-L149 PolarHBondContact OD1-N 3.18Å; D146-L149 VanDerWaalsContact OD1-N 3.1Å; D146-L150 VanDerWaalsContact O-CB 3.28Å; D146-L150 WeakPolarHBondContact O-CB 3.22Å; D146-L150 PolarHBondContact O-N 2.78Å
147	G	89.9	Confident	93.3	Very high	54 Å²	54	40 Å²	40	56%	0.557	25%	0.246	S	C	*	.	H	α-helix	trans	-63.3	-27.2	-180	0	0	0	0	0	114.2	A151	G147-A151 WeakPolarHBondContact O-CB 3.38Å; G147-A151 PolarHBondContact O-N 3.43Å
148	R	92.6	Very high	93.3	Very high	93 Å²	93	44.9 Å²	44.9	35%	0.351	27%	0.27	S	S	.	.	H	α-helix	trans	-71.4	-47.4	177.8	-175.4	-172.7	78.4	126.8	10.8	110.4	D123 D146 K152	D123-R148 IonicContact OD1-CZ 3.43Å; D123-R148 IonicContact OD1-NH1 2.75Å; D123-R148 PolarHBondContact OD1-NH1 2.87Å; D123-R148 IonicContact OD1-NH2 3.58Å; D123-R148 PolarHBondContact OD1-NH2 2.88Å; D146-R148 VanDerWaalsContact C-N 3.26Å; D146-R148 PolarHBondContact O-N 3.44Å; D146-R148 WeakPolarHBondContact OD1-CA 3.5Å; D146-R148 WeakPolarHBondContact OD1-CB 3.09Å; D146-R148 PolarHBondContact OD1-N 2.78Å; R148-K152 PolarHBondContact O-N 2.82Å
149	L	92.8	Very high	93.3	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-64.8	-46.4	177.6	-173.8	63.8	0	0	0	110.2	Y106 L126 F140 A141 D146 A151 K152 V153	Y106-L149 HydrophobicContact CE2-CD2 4.49Å; L126-L149 HydrophobicContact CD1-CD1 3.84Å; L126-L149 HydrophobicContact CD2-CD1 3.69Å; L126-L149 HydrophobicContact CG-CD1 3.46Å; L126-L149 VanDerWaalsContact CG-CD1 3.46Å; F140-L149 HydrophobicContact CD1-CD2 4.27Å; F140-L149 HydrophobicContact CE1-CD2 4.26Å; A141-L149 HydrophobicContact CB-CB 4.08Å; A141-L149 HydrophobicContact CB-CD2 3.83Å; A141-L149 HydrophobicContact CB-CG 3.75Å; D146-L149 HydrophobicContact CB-CB 4.06Å; D146-L149 PolarHBondContact O-N 3.47Å; D146-L149 PolarHBondContact OD1-N 3.18Å; D146-L149 VanDerWaalsContact OD1-N 3.1Å; L149-A151 PolarHBondContact O-N 2.91Å; L149-K152 PolarHBondContact O-N 3.08Å; L149-V153 WeakPolarHBondContact O-CG2 3.37Å; L149-V153 PolarHBondContact O-N 2.74Å; L149-V153 VanDerWaalsContact O-N 3.08Å
150	L	93.8	Very high	93.4	Very high	29 Å²	29	50.1 Å²	50.1	15%	0.152	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-46.4	179.9	-174.1	64.1	0	0	0	112.1	R138 A141 D146 K152 V153 D154	R138-L150 HydrophobicContact CG-CD1 3.64Å; A141-L150 HydrophobicContact CB-CB 4.02Å; A141-L150 HydrophobicContact CB-CD1 4.13Å; D146-L150 VanDerWaalsContact O-CB 3.28Å; D146-L150 WeakPolarHBondContact O-CB 3.22Å; D146-L150 PolarHBondContact O-N 2.78Å; L150-K152 VanDerWaalsContact C-N 3.33Å; L150-K152 PolarHBondContact O-N 3.34Å; L150-V153 PolarHBondContact O-N 2.84Å; L150-D154 WeakPolarHBondContact O-CB 3.23Å; L150-D154 PolarHBondContact O-N 2.69Å
151	A	93.8	Very high	93.3	Very high	56 Å²	56	49.1 Å²	49.1	46%	0.463	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-37.3	179.9	0	0	0	0	0	113.1	G147 L149 A155	G147-A151 WeakPolarHBondContact O-CB 3.38Å; G147-A151 PolarHBondContact O-N 3.43Å; L149-A151 PolarHBondContact O-N 2.91Å; A151-A155 WeakPolarHBondContact O-CB 3.3Å; A151-A155 PolarHBondContact O-N 2.81Å
152	K	95.4	Very high	93.2	Very high	105 Å²	105	53.1 Å²	53.1	46%	0.457	31%	0.313	S	S	.	.	H	α-helix	trans	-71.9	-37	177.4	-75	-174.8	173.8	-171.7	0	112.5	L126 R148 L149 L150 Y156	L126-K152 HydrophobicContact CD1-CB 4.28Å; L126-K152 HydrophobicContact CD1-CD 3.42Å; L126-K152 VanDerWaalsContact CD1-CD 3.42Å; L126-K152 HydrophobicContact CD1-CG 4.5Å; L126-K152 HydrophobicContact CD2-CB 3.6Å; L126-K152 HydrophobicContact CD2-CD 4.26Å; L126-K152 HydrophobicContact CG-CD 4.46Å; R148-K152 PolarHBondContact O-N 2.82Å; L149-K152 PolarHBondContact O-N 3.08Å; L150-K152 VanDerWaalsContact C-N 3.33Å; L150-K152 PolarHBondContact O-N 3.34Å; K152-Y156 PolarHBondContact O-N 2.86Å; K152-Y156 VanDerWaalsContact O-N 3.1Å
153	V	96.2	Very high	93.3	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-69.6	-41.9	174.1	179.5	0	0	0	0	110.7	L126 V129 A134 F137 R138 L149 L150 A155 Y156 I157	L126-V153 HydrophobicContact CD2-CG2 3.96Å; V129-V153 HydrophobicContact CG2-CG2 4.26Å; A134-V153 WeakPolarHBondContact O-CG1 3.45Å; F137-V153 HydrophobicContact CB-CG1 4.39Å; F137-V153 HydrophobicContact CB-CG2 4.34Å; R138-V153 HydrophobicContact CB-CG1 3.74Å; R138-V153 HydrophobicContact CG-CG1 4.33Å; L149-V153 WeakPolarHBondContact O-CG2 3.37Å; L149-V153 PolarHBondContact O-N 2.74Å; L149-V153 VanDerWaalsContact O-N 3.08Å; L150-V153 PolarHBondContact O-N 2.84Å; V153-A155 VanDerWaalsContact C-N 3.31Å; V153-A155 PolarHBondContact O-N 2.86Å; V153-Y156 WeakPolarHBondContact O-CB 3.37Å; V153-Y156 PolarHBondContact O-N 3.04Å; V153-I157 HydrophobicContact CG1-CD1 3.94Å; V153-I157 HydrophobicContact CG1-CG1 4.47Å; V153-I157 WeakPolarHBondContact O-CG1 3.44Å; V153-I157 PolarHBondContact O-N 3.39Å
154	D	95.5	Very high	93.6	Very high	9 Å²	9	49.8 Å²	49.8	5%	0.048	28%	0.283	C	S	.	.	H	α-helix	trans	-56	-45.6	173.1	-85.6	3.8	0	0	0	111.1	R138 L150 I157 Q158 K295 I297	R138-D154 IonicContact CZ-OD1 3.2Å; R138-D154 IonicContact NE-OD1 3.7Å; R138-D154 PolarHBondContact NE-OD1 2.79Å; R138-D154 IonicContact NH2-OD1 2.66Å; R138-D154 PolarHBondContact NH2-OD1 3.4Å; R138-D154 IonicContact NH2-OD2 2.8Å; L150-D154 WeakPolarHBondContact O-CB 3.23Å; L150-D154 PolarHBondContact O-N 2.69Å; D154-I157 PolarHBondContact O-N 2.88Å; D154-Q158 WeakPolarHBondContact O-CB 3.16Å; D154-Q158 PolarHBondContact O-N 2.81Å; D154-K295 IonicContact OD2-NZ 3.13Å; D154-K295 PolarHBondContact OD2-NZ 2.76Å; D154-I297 HydrophobicContact CB-CG2 4.03Å
155	A	95.1	Very high	93.7	Very high	44 Å²	44	49 Å²	49	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-62	-43	176.9	0	0	0	0	0	112.3	A151 V153 I157 Q158 D159	A151-A155 WeakPolarHBondContact O-CB 3.3Å; A151-A155 PolarHBondContact O-N 2.81Å; V153-A155 VanDerWaalsContact C-N 3.31Å; V153-A155 PolarHBondContact O-N 2.86Å; A155-I157 PolarHBondContact O-N 2.93Å; A155-Q158 WeakPolarHBondContact O-CB 3.27Å; A155-Q158 PolarHBondContact O-N 2.86Å; A155-D159 PolarHBondContact O-N 2.98Å; A155-D159 VanDerWaalsContact O-N 3.08Å
156	Y	96.4	Very high	93.8	Very high	59 Å²	59	53.1 Å²	53.1	23%	0.231	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-44.9	175.2	179	-89.6	0	0	0	112.1	V129 D130 S131 A134 K152 V153 Q158 D159 H160	V129-Y156 HydrophobicContact CG1-CD1 3.49Å; V129-Y156 VanDerWaalsContact CG1-CD1 3.49Å; V129-Y156 HydrophobicContact CG1-CD2 4.3Å; V129-Y156 HydrophobicContact CG1-CE1 3.83Å; V129-Y156 HydrophobicContact CG1-CG 3.76Å; D130-Y156 WeakPolarHBondContact CA-OH 3.27Å; S131-Y156 PolarHBondContact N-OH 3.47Å; A134-Y156 HydrophobicContact CB-CD1 4.05Å; A134-Y156 HydrophobicContact CB-CE1 4.14Å; K152-Y156 PolarHBondContact O-N 2.86Å; K152-Y156 VanDerWaalsContact O-N 3.1Å; V153-Y156 WeakPolarHBondContact O-CB 3.37Å; V153-Y156 PolarHBondContact O-N 3.04Å; Y156-Q158 VanDerWaalsContact C-N 3.3Å; Y156-Q158 PolarHBondContact O-N 2.87Å; Y156-D159 PolarHBondContact O-N 2.78Å; Y156-H160 AromaticContact CD2-CE1 3.9Å; Y156-H160 AromaticContact CD2-ND1 3.73Å; Y156-H160 HydrophobicContact CE1-CB 4.3Å; Y156-H160 AromaticContact CE2-CE1 3.61Å; Y156-H160 AromaticContact CE2-ND1 3.57Å; Y156-H160 AromaticContact CZ-CG 3.95Å; Y156-H160 AromaticContact CZ-ND1 3.82Å; Y156-H160 PolarHBondContact O-N 2.85Å; Y156-H160 VanDerWaalsContact O-N 3.09Å; Y156-H160 PolarHBondContact O-ND1 2.71Å
157	I	96.3	Very high	94.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-38.4	178.1	-66.8	164.7	0	0	0	110.8	A134 I135 R138 V153 D154 A155 D159 H160 L161 I297 A298 L310	A134-I157 HydrophobicContact CB-CD1 4.27Å; A134-I157 HydrophobicContact CB-CG1 3.77Å; I135-I157 HydrophobicContact CD1-CD1 4.17Å; R138-I157 HydrophobicContact CB-CD1 4.12Å; R138-I157 HydrophobicContact CG-CD1 4.3Å; V153-I157 HydrophobicContact CG1-CD1 3.94Å; V153-I157 HydrophobicContact CG1-CG1 4.47Å; V153-I157 WeakPolarHBondContact O-CG1 3.44Å; V153-I157 PolarHBondContact O-N 3.39Å; D154-I157 PolarHBondContact O-N 2.88Å; A155-I157 PolarHBondContact O-N 2.93Å; I157-D159 VanDerWaalsContact C-N 3.32Å; I157-D159 PolarHBondContact O-N 3.05Å; I157-H160 CarbonylContact O-C 3.54Å; I157-H160 PolarHBondContact O-N 3.4Å; I157-L161 HydrophobicContact CG2-CD1 4.45Å; I157-L161 VanDerWaalsContact O-CA 3.27Å; I157-L161 WeakPolarHBondContact O-CA 3.32Å; I157-L161 WeakPolarHBondContact O-CB 3.44Å; I157-L161 PolarHBondContact O-N 3.49Å; I157-I297 HydrophobicContact CG2-CG2 4.35Å; I157-A298 HydrophobicContact CG2-CB 4.12Å; I157-L310 HydrophobicContact CG2-CD2 3.7Å
158	Q	93.9	Very high	94.1	Very high	119 Å²	119	58.2 Å²	58.2	56%	0.556	29%	0.294	S	S	*	.	H	α-helix	trans	-60.2	-43	175.8	-174	178.8	-12.7	0	0	111.8	D154 A155 Y156 A298	D154-Q158 WeakPolarHBondContact O-CB 3.16Å; D154-Q158 PolarHBondContact O-N 2.81Å; A155-Q158 WeakPolarHBondContact O-CB 3.27Å; A155-Q158 PolarHBondContact O-N 2.86Å; Y156-Q158 VanDerWaalsContact C-N 3.3Å; Y156-Q158 PolarHBondContact O-N 2.87Å; Q158-A298 HydrophobicContact CB-CB 4.28Å
159	D	94.3	Very high	94	Very high	126 Å²	126	56.7 Å²	56.7	67%	0.674	29%	0.292	S	S	*	.	H	α-helix	trans	-75.8	-21.5	-179	-66.4	-19.9	0	0	0	113.5	A155 Y156 I157	A155-D159 PolarHBondContact O-N 2.98Å; A155-D159 VanDerWaalsContact O-N 3.08Å; Y156-D159 PolarHBondContact O-N 2.78Å; I157-D159 VanDerWaalsContact C-N 3.32Å; I157-D159 PolarHBondContact O-N 3.05Å
160	H	94.6	Very high	94.1	Very high	68 Å²	68	56.8 Å²	56.8	32%	0.315	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	28.3	-173.6	-56.3	81.1	0	0	0	113.1	Y156 I157 L162 D163 V164	Y156-H160 AromaticContact CD2-CE1 3.9Å; Y156-H160 AromaticContact CD2-ND1 3.73Å; Y156-H160 HydrophobicContact CE1-CB 4.3Å; Y156-H160 AromaticContact CE2-CE1 3.61Å; Y156-H160 AromaticContact CE2-ND1 3.57Å; Y156-H160 AromaticContact CZ-CG 3.95Å; Y156-H160 AromaticContact CZ-ND1 3.82Å; Y156-H160 PolarHBondContact O-N 2.85Å; Y156-H160 VanDerWaalsContact O-N 3.09Å; Y156-H160 PolarHBondContact O-ND1 2.71Å; I157-H160 CarbonylContact O-C 3.54Å; I157-H160 PolarHBondContact O-N 3.4Å; H160-L162 VanDerWaalsContact C-N 3.29Å; H160-L162 PolarHBondContact O-N 3.08Å; H160-D163 PolarHBondContact O-N 2.85Å; H160-V164 HydrophobicContact CB-CG2 4.42Å; H160-V164 VanDerWaalsContact O-CG2 3.29Å; H160-V164 WeakPolarHBondContact O-CG2 3.28Å; H160-V164 PolarHBondContact O-N 2.96Å
161	L	93.1	Very high	93.8	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-57.7	-39.6	-171.2	177.8	59.3	0	0	0	112.9	I157 V164 S165 F170 A298 E300 L310	I157-L161 HydrophobicContact CG2-CD1 4.45Å; I157-L161 VanDerWaalsContact O-CA 3.27Å; I157-L161 WeakPolarHBondContact O-CA 3.32Å; I157-L161 WeakPolarHBondContact O-CB 3.44Å; I157-L161 PolarHBondContact O-N 3.49Å; L161-V164 PolarHBondContact O-N 3.23Å; L161-S165 VanDerWaalsContact O-CB 3.23Å; L161-S165 WeakPolarHBondContact O-CB 3.25Å; L161-S165 PolarHBondContact O-N 3.35Å; L161-S165 PolarHBondContact O-OG 2.74Å; L161-F170 HydrophobicContact CD1-CE2 3.93Å; L161-F170 HydrophobicContact CD1-CZ 4.31Å; L161-A298 HydrophobicContact CB-CB 4.15Å; L161-A298 HydrophobicContact CD1-CB 3.96Å; L161-A298 HydrophobicContact CD2-CB 3.74Å; L161-A298 HydrophobicContact CG-CB 4.16Å; L161-E300 HydrophobicContact CD2-CB 3.86Å; L161-L310 HydrophobicContact CD1-CB 4.37Å
162	L	91.2	Very high	93.6	Very high	85 Å²	85	63.3 Å²	63.3	45%	0.445	31%	0.313	S	S	.	.	H	α-helix	trans	-59.9	-53.2	179.5	-71.6	174.7	0	0	0	111.3	H160 V164 S165 E166 E300 T302	H160-L162 VanDerWaalsContact C-N 3.29Å; H160-L162 PolarHBondContact O-N 3.08Å; L162-V164 VanDerWaalsContact C-N 3.31Å; L162-V164 PolarHBondContact O-N 2.61Å; L162-S165 PolarHBondContact O-N 2.79Å; L162-S165 VanDerWaalsContact O-N 3.11Å; L162-S165 PolarHBondContact O-OG 2.72Å; L162-E166 PolarHBondContact O-N 2.44Å; L162-E300 HydrophobicContact CD1-CG 4.29Å; L162-E300 HydrophobicContact CD2-CB 4.41Å; L162-E300 HydrophobicContact CD2-CG 3.72Å; L162-E300 HydrophobicContact CG-CG 3.93Å; L162-T302 HydrophobicContact CD2-CG2 4.47Å
163	D	94.1	Very high	93.5	Very high	82 Å²	82	59.2 Å²	59.2	44%	0.439	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-38	179.4	-60.6	-30.5	0	0	0	112.1	H160 S165 Q167	H160-D163 PolarHBondContact O-N 2.85Å; D163-S165 VanDerWaalsContact C-N 3.34Å; D163-Q167 WeakPolarHBondContact O-CG 3.45Å; D163-Q167 PolarHBondContact O-NE2 3.23Å
164	V	95.3	Very high	93.3	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67.2	-35.9	176.2	173.5	0	0	0	0	111	A134 I135 H160 L161 L162 E166 Q167 F170	A134-V164 HydrophobicContact CB-CG2 4.21Å; I135-V164 HydrophobicContact CD1-CG1 3.89Å; I135-V164 HydrophobicContact CG1-CG1 3.98Å; H160-V164 HydrophobicContact CB-CG2 4.42Å; H160-V164 VanDerWaalsContact O-CG2 3.29Å; H160-V164 WeakPolarHBondContact O-CG2 3.28Å; H160-V164 PolarHBondContact O-N 2.96Å; L161-V164 PolarHBondContact O-N 3.23Å; L162-V164 VanDerWaalsContact C-N 3.31Å; L162-V164 PolarHBondContact O-N 2.61Å; V164-E166 PolarHBondContact O-N 3.15Å; V164-Q167 WeakPolarHBondContact O-CB 3.36Å; V164-Q167 PolarHBondContact O-N 3.47Å; V164-Q167 VanDerWaalsContact O-N 3.12Å; V164-F170 HydrophobicContact CG1-CD2 3.95Å; V164-F170 WeakPolarHBondContact O-CB 3.48Å
165	S	93.2	Very high	93.1	Very high	21 Å²	21	65.5 Å²	65.5	15%	0.147	33%	0.327	C	S	.	.	H	α-helix	trans	-67.6	-21.3	-176.6	75.1	0	0	0	0	114.1	L161 L162 D163 Q167 F170	L161-S165 VanDerWaalsContact O-CB 3.23Å; L161-S165 WeakPolarHBondContact O-CB 3.25Å; L161-S165 PolarHBondContact O-N 3.35Å; L161-S165 PolarHBondContact O-OG 2.74Å; L162-S165 PolarHBondContact O-N 2.79Å; L162-S165 VanDerWaalsContact O-N 3.11Å; L162-S165 PolarHBondContact O-OG 2.72Å; D163-S165 VanDerWaalsContact C-N 3.34Å; S165-Q167 VanDerWaalsContact C-N 3.33Å; S165-F170 WeakPolarHBondContact O-CD1 3.45Å
166	E	92.2	Very high	93	Very high	145 Å²	145	63.4 Å²	63.4	68%	0.678	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-10.1	176.7	-62.7	-175.4	166.2	0	0	113.1	L162 V164	L162-E166 PolarHBondContact O-N 2.44Å; V164-E166 PolarHBondContact O-N 3.15Å
167	Q	96.1	Very high	92.7	Very high	45 Å²	45	65.4 Å²	65.4	21%	0.21	32%	0.32	C	S	.	.	S	Bend	trans	-85.2	150.1	-173.5	-51.9	-55.6	-40.2	0	0	112.9	S131 D163 V164 S165 D169 F170 L171	S131-Q167 WeakPolarHBondContact O-CG 3.17Å; D163-Q167 WeakPolarHBondContact O-CG 3.45Å; D163-Q167 PolarHBondContact O-NE2 3.23Å; V164-Q167 WeakPolarHBondContact O-CB 3.36Å; V164-Q167 PolarHBondContact O-N 3.47Å; V164-Q167 VanDerWaalsContact O-N 3.12Å; S165-Q167 VanDerWaalsContact C-N 3.33Å; Q167-D169 VanDerWaalsContact C-N 3.31Å; Q167-D169 PolarHBondContact O-N 2.93Å; Q167-F170 WeakPolarHBondContact O-CB 3.48Å; Q167-F170 PolarHBondContact O-N 3.27Å; Q167-F170 VanDerWaalsContact O-N 3.09Å; Q167-L171 WeakPolarHBondContact O-CG 3.38Å; Q167-L171 PolarHBondContact O-N 3.34Å
168	E	91.3	Very high	92.4	Very high	132 Å²	132	65.5 Å²	65.5	62%	0.617	32%	0.32	S	S	*	.	H	α-helix	trans	-57.7	-40.8	-174.7	-162.7	-170.6	155.7	0	0	113	F170 L171 K172	E168-F170 VanDerWaalsContact C-N 3.33Å; E168-F170 PolarHBondContact O-N 3.18Å; E168-L171 PolarHBondContact O-N 3.49Å; E168-K172 VanDerWaalsContact CD-NZ 3.3Å; E168-K172 WeakPolarHBondContact O-CG 3.06Å; E168-K172 PolarHBondContact O-N 2.99Å; E168-K172 VanDerWaalsContact O-N 3.12Å; E168-K172 WeakPolarHBondContact OE1-CE 3.43Å; E168-K172 IonicContact OE1-NZ 3.58Å; E168-K172 PolarHBondContact OE1-NZ 2.89Å
169	D	90.4	Very high	92.1	Very high	60 Å²	60	62.7 Å²	62.7	32%	0.321	31%	0.307	S	S	.	.	H	α-helix	trans	-64.7	-36.7	179.2	-80.8	-1.5	0	0	0	112.4	I135 Q167	I135-D169 HydrophobicContact CB-CB 4.07Å; I135-D169 HydrophobicContact CG2-CB 4.26Å; Q167-D169 VanDerWaalsContact C-N 3.31Å; Q167-D169 PolarHBondContact O-N 2.93Å
170	F	93.3	Very high	91.8	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.018	28%	0.275	C	S	.	.	H	α-helix	trans	-69.3	-40.5	174.3	-172.7	-83.5	0	0	0	110.8	I135 L161 V164 S165 Q167 E168 K172 L173 L308 L310 V319	I135-F170 HydrophobicContact CD1-CD2 4.18Å; I135-F170 HydrophobicContact CG1-CB 4.4Å; L161-F170 HydrophobicContact CD1-CE2 3.93Å; L161-F170 HydrophobicContact CD1-CZ 4.31Å; V164-F170 HydrophobicContact CG1-CD2 3.95Å; V164-F170 WeakPolarHBondContact O-CB 3.48Å; S165-F170 WeakPolarHBondContact O-CD1 3.45Å; Q167-F170 WeakPolarHBondContact O-CB 3.48Å; Q167-F170 PolarHBondContact O-N 3.27Å; Q167-F170 VanDerWaalsContact O-N 3.09Å; E168-F170 VanDerWaalsContact C-N 3.33Å; E168-F170 PolarHBondContact O-N 3.18Å; F170-K172 PolarHBondContact O-N 3.4Å; F170-L173 HydrophobicContact CD2-CD1 4.23Å; F170-L173 HydrophobicContact CG-CD1 4.46Å; F170-L173 WeakPolarHBondContact O-CB 3.21Å; F170-L173 WeakPolarHBondContact O-CG 3.45Å; F170-L173 PolarHBondContact O-N 3.35Å; F170-L173 VanDerWaalsContact O-N 3.14Å; F170-L308 HydrophobicContact CE1-CD1 4.43Å; F170-L308 HydrophobicContact CE1-CD2 4.43Å; F170-L308 HydrophobicContact CZ-CD1 4.38Å; F170-L308 HydrophobicContact CZ-CD2 4.24Å; F170-L308 HydrophobicContact CZ-CG 4.49Å; F170-L310 HydrophobicContact CD2-CD1 4.23Å; F170-L310 HydrophobicContact CE2-CB 4.13Å; F170-L310 HydrophobicContact CE2-CD1 3.77Å; F170-L310 HydrophobicContact CE2-CD2 4.36Å; F170-L310 HydrophobicContact CE2-CG 4.3Å; F170-L310 HydrophobicContact CZ-CD1 4.5Å; F170-V319 HydrophobicContact CD1-CG2 4.19Å; F170-V319 HydrophobicContact CE1-CG1 4.06Å; F170-V319 HydrophobicContact CE1-CG2 3.62Å; F170-V319 HydrophobicContact CE2-CG2 4.13Å; F170-V319 HydrophobicContact CZ-CG1 4.12Å; F170-V319 HydrophobicContact CZ-CG2 3.59Å
171	L	88.7	Confident	91.2	Very high	88 Å²	88	56.9 Å²	56.9	46%	0.461	28%	0.277	S	S	.	.	H	α-helix	trans	-67.4	-20.5	-179.1	-65	176.9	0	0	0	113.5	Q167 E168 R175	Q167-L171 WeakPolarHBondContact O-CG 3.38Å; Q167-L171 PolarHBondContact O-N 3.34Å; E168-L171 PolarHBondContact O-N 3.49Å; L171-R175 VanDerWaalsContact CD2-NH2 3.33Å; L171-R175 PolarHBondContact O-NH1 3.39Å; L171-R175 PolarHBondContact O-NH2 2.88Å
172	K	89.5	Confident	90.6	Very high	134 Å²	134	57.2 Å²	57.2	58%	0.583	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.5	175.2	-72.8	167.3	-179	162.4	0	114	E168 F170	E168-K172 VanDerWaalsContact CD-NZ 3.3Å; E168-K172 WeakPolarHBondContact O-CG 3.06Å; E168-K172 PolarHBondContact O-N 2.99Å; E168-K172 VanDerWaalsContact O-N 3.12Å; E168-K172 WeakPolarHBondContact OE1-CE 3.43Å; E168-K172 IonicContact OE1-NZ 3.58Å; E168-K172 PolarHBondContact OE1-NZ 2.89Å; F170-K172 PolarHBondContact O-N 3.4Å
173	L	92.3	Very high	89.8	Confident	19 Å²	19	57.1 Å²	57.1	10%	0.099	28%	0.276	C	S	.	.	S	Bend	trans	-67.3	144.6	-177.1	-64.1	175.1	0	0	0	111.6	I135 F170 R175 L310 L317 V319	I135-L173 HydrophobicContact CG2-CD2 4.4Å; F170-L173 HydrophobicContact CD2-CD1 4.23Å; F170-L173 HydrophobicContact CG-CD1 4.46Å; F170-L173 WeakPolarHBondContact O-CB 3.21Å; F170-L173 WeakPolarHBondContact O-CG 3.45Å; F170-L173 PolarHBondContact O-N 3.35Å; F170-L173 VanDerWaalsContact O-N 3.14Å; L173-R175 PolarHBondContact O-NH1 3.41Å; L173-L310 HydrophobicContact CD1-CD1 3.43Å; L173-L310 VanDerWaalsContact CD1-CD1 3.43Å; L173-L317 HydrophobicContact CD1-CD2 4.19Å; L173-L317 HydrophobicContact CD1-CG 4.1Å; L173-L317 HydrophobicContact CD2-CB 4.4Å; L173-L317 HydrophobicContact CD2-CD2 4.01Å; L173-L317 HydrophobicContact CD2-CG 4.06Å; L173-V319 HydrophobicContact CB-CG2 3.84Å; L173-V319 HydrophobicContact CD1-CG2 3.9Å
174	P	92.4	Very high	88.3	Confident	58 Å²	58	57.3 Å²	57.3	38%	0.377	28%	0.277	S	S	.	.			trans	-51.2	138.5	169.7	-28.7	37.6	0	0	0	111.7	M217 V316 S318 V319	P174-M217 HydrophobicContact CB-CE 3.25Å; P174-M217 HydrophobicContact CB-SD 4Å; P174-V316 HydrophobicContact CG-CG1 4.19Å; P174-S318 CarbonylContact O-C 3.54Å; P174-S318 WeakPolarHBondContact O-CA 3.27Å; P174-V319 PolarHBondContact O-N 2.59Å
175	R	91.9	Very high	86.8	Confident	83 Å²	83	65.3 Å²	65.3	31%	0.313	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.6	-178.7	-70.8	-178.1	170.2	81.6	-7.3	113.7	L171 L173 M217 V319	L171-R175 VanDerWaalsContact CD2-NH2 3.33Å; L171-R175 PolarHBondContact O-NH1 3.39Å; L171-R175 PolarHBondContact O-NH2 2.88Å; L173-R175 PolarHBondContact O-NH1 3.41Å; R175-M217 VanDerWaalsContact N-CE 3.31Å; R175-M217 WeakPolarHBondContact O-CB 3.5Å; R175-V319 CarbonylContact C-O 3.54Å; R175-V319 VanDerWaalsContact CA-O 3.28Å; R175-V319 WeakPolarHBondContact CA-O 3.49Å; R175-V319 HydrophobicContact CG-CB 4.12Å; R175-V319 HydrophobicContact CG-CG1 4.5Å
176	L	91.9	Very high	85.7	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.9	164.3	178.4	67.3	0	0	0	108.5	L178 V198 W201 V202 L216 M217 Q221 L313 V319 I320 F321	L176-L178 HydrophobicContact CD1-CD2 4.09Å; L176-L178 HydrophobicContact CD2-CD1 4.33Å; L176-L178 HydrophobicContact CD2-CD2 4.24Å; L176-L178 HydrophobicContact CD2-CG 4.44Å; L176-L178 HydrophobicContact CG-CD2 3.94Å; L176-L178 HydrophobicContact CG-CG 4.18Å; L176-V198 HydrophobicContact CD2-CG1 4.26Å; L176-W201 HydrophobicContact CD1-CZ3 4.26Å; L176-W201 HydrophobicContact CD2-CZ3 4.21Å; L176-V202 HydrophobicContact CD2-CG2 3.37Å; L176-L216 HydrophobicContact CD1-CB 4.16Å; L176-L216 WeakPolarHBondContact CD1-O 3.43Å; L176-M217 HydrophobicContact CB-CE 4.43Å; L176-M217 HydrophobicContact CB-CG 4.39Å; L176-M217 HydrophobicContact CD1-CG 4.45Å; L176-Q221 HydrophobicContact CD1-CG 4.5Å; L176-L313 HydrophobicContact CD2-CD1 4.33Å; L176-V319 PolarHBondContact N-O 2.97Å; L176-I320 HydrophobicContact CD2-CG1 4.39Å; L176-F321 PolarHBondContact O-N 2.86Å
177	K	91	Very high	84.8	Confident	102 Å²	102	64.2 Å²	64.2	44%	0.443	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.3	-178.6	-65.9	177.4	-175.5	170.4	0	110.2	V220 Q221 F321	K177-V220 HydrophobicContact CB-CG1 4.49Å; K177-V220 HydrophobicContact CB-CG2 4.08Å; K177-V220 HydrophobicContact CD-CG2 4.14Å; K177-Q221 PolarHBondContact O-N 3.43Å; K177-F321 WeakPolarHBondContact CA-O 3.31Å
178	L	89.9	Confident	83.9	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.1	-177.1	-55.1	179.5	0	0	0	110.4	L176 V198 W201 Q221 L223 I320 F321 L322 H323	L176-L178 HydrophobicContact CD1-CD2 4.09Å; L176-L178 HydrophobicContact CD2-CD1 4.33Å; L176-L178 HydrophobicContact CD2-CD2 4.24Å; L176-L178 HydrophobicContact CD2-CG 4.44Å; L176-L178 HydrophobicContact CG-CD2 3.94Å; L176-L178 HydrophobicContact CG-CG 4.18Å; L178-V198 HydrophobicContact CD1-CB 4.26Å; L178-V198 HydrophobicContact CD1-CG1 3.39Å; L178-V198 HydrophobicContact CD1-CG2 3.83Å; L178-W201 HydrophobicContact CD2-CE3 4.3Å; L178-W201 HydrophobicContact CD2-CH2 4.04Å; L178-W201 HydrophobicContact CD2-CZ3 3.67Å; L178-Q221 CarbonylContact C-O 3.47Å; L178-Q221 WeakPolarHBondContact CA-O 3.43Å; L178-Q221 HydrophobicContact CD2-CB 3.62Å; L178-Q221 HydrophobicContact CD2-CG 4.14Å; L178-L223 HydrophobicContact CD1-CD1 4.28Å; L178-L223 HydrophobicContact CD2-CD1 4.19Å; L178-I320 HydrophobicContact CD1-CG2 4.17Å; L178-F321 PolarHBondContact N-O 3.28Å; L178-L322 HydrophobicContact CB-CB 4.33Å; L178-L322 HydrophobicContact CB-CG 3.96Å; L178-L322 HydrophobicContact CD1-CD1 4.1Å; L178-L322 HydrophobicContact CD1-CG 4.4Å; L178-L322 CarbonylContact O-C 3.53Å; L178-L322 WeakPolarHBondContact O-CA 3.35Å; L178-H323 PolarHBondContact O-N 2.75Å
179	E	88.1	Confident	83	Confident	59 Å²	59	57.5 Å²	57.5	28%	0.276	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.9	164.2	-77.3	-167.8	158.7	0	0	109.1	V220 Q221 T222 L223 H323 R325	E179-V220 HydrophobicContact CB-CG1 4.28Å; E179-V220 HydrophobicContact CG-CG1 3.68Å; E179-Q221 PolarHBondContact N-O 2.84Å; E179-T222 CarbonylContact O-C 3.52Å; E179-T222 WeakPolarHBondContact O-CA 3.31Å; E179-L223 PolarHBondContact O-N 3.24Å; E179-H323 WeakPolarHBondContact CA-O 3.48Å; E179-R325 IonicContact OE1-CZ 2.7Å; E179-R325 IonicContact OE1-NH1 2.64Å; E179-R325 PolarHBondContact OE1-NH1 3.17Å; E179-R325 IonicContact OE2-NH1 2.72Å
180	V	87.1	Confident	81.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	112.8	-176.2	-175.4	0	0	0	0	110.1	L188 L223 L231 L322 H323 G324 R325	V180-L188 HydrophobicContact CB-CD1 4.23Å; V180-L188 HydrophobicContact CG1-CD1 4.43Å; V180-L188 HydrophobicContact CG1-CD2 3.92Å; V180-L223 CarbonylContact C-O 3.56Å; V180-L223 VanDerWaalsContact CA-O 3.29Å; V180-L223 WeakPolarHBondContact CA-O 3.44Å; V180-L223 HydrophobicContact CG2-CB 4.36Å; V180-L231 HydrophobicContact CG1-CD2 4.06Å; V180-L231 HydrophobicContact CG2-CD2 3.92Å; V180-L322 HydrophobicContact CB-CD2 3.99Å; V180-L322 HydrophobicContact CG2-CD1 4.15Å; V180-L322 HydrophobicContact CG2-CD2 3.41Å; V180-L322 VanDerWaalsContact CG2-CD2 3.41Å; V180-L322 HydrophobicContact CG2-CG 3.71Å; V180-H323 PolarHBondContact N-O 2.78Å; V180-G324 CarbonylContact O-C 3.58Å; V180-G324 WeakPolarHBondContact O-CA 3.23Å; V180-R325 PolarHBondContact O-N 2.82Å
181	M	83.1	Confident	80.4	Confident	73 Å²	73	61.9 Å²	61.9	36%	0.36	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	131.6	176.4	-62.4	-173.3	70.6	0	0	110.4	T222 L223 Y224 Y225 R325	M181-T222 HydrophobicContact CG-CG2 4.2Å; M181-T222 HydrophobicContact SD-CG2 4.13Å; M181-L223 PolarHBondContact N-O 3.44Å; M181-Y224 HydrophobicContact CB-CD2 4.18Å; M181-Y225 PolarHBondContact O-N 3.04Å; M181-R325 CarbonylContact C-O 3.54Å; M181-R325 WeakPolarHBondContact CA-O 3.18Å
182	L	80.8	Confident	79.2	Confident	10 Å²	10	58.5 Å²	58.5	5%	0.052	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.3	-176.8	-64.7	158.4	0	0	0	110	L186 L188 Y225 R325 S327	L182-L186 HydrophobicContact CD2-CB 4.2Å; L182-L188 HydrophobicContact CD1-CG 4.2Å; L182-L188 HydrophobicContact CD2-CD2 3.86Å; L182-L188 HydrophobicContact CD2-CG 3.86Å; L182-L188 HydrophobicContact CG-CG 4.48Å; L182-Y225 HydrophobicContact CD2-CD1 3.64Å; L182-Y225 HydrophobicContact CD2-CG 4.02Å; L182-R325 PolarHBondContact N-O 3.03Å; L182-S327 PolarHBondContact O-N 2.95Å; L182-S327 VanDerWaalsContact O-N 3.07Å
183	E	72.4	Confident	78.4	Confident	82 Å²	82	57.4 Å²	57.4	38%	0.383	30%	0.304	S	S	.	.			trans	-71.5	163.7	165.1	-58.7	-159.4	140.5	0	0	112.3	N185 L186 Y224 P227	E183-N185 PolarHBondContact O-N 3.31Å; E183-L186 HydrophobicContact CB-CD1 3.9Å; E183-L186 HydrophobicContact CG-CD1 4.4Å; E183-L186 PolarHBondContact O-N 2.81Å; E183-L186 VanDerWaalsContact O-N 3.13Å; E183-Y224 HydrophobicContact CG-CE2 3.94Å; E183-Y224 WeakPolarHBondContact CG-OH 3.35Å; E183-Y224 PolarHBondContact OE1-OH 3.13Å; E183-P227 WeakPolarHBondContact OE2-CG 3.32Å
184	D	63	Low	77.8	Confident	86 Å²	86	56.5 Å²	56.5	46%	0.46	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	129.9	177.7	-73.5	-16.8	0	0	0	110.7	Q329	D184-Q329 PolarHBondContact OD2-NE2 3.1Å; D184-Q329 VanDerWaalsContact OD2-NE2 3.15Å
185	N	64.3	Low	77.3	Confident	168 Å²	168	53.9 Å²	53.9	90%	0.898	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	5.8	-177.5	-47.6	-55.6	0	0	0	117.2	E183	E183-N185 PolarHBondContact O-N 3.31Å
186	L	70.3	Confident	76.8	Confident	31 Å²	31	52 Å²	52	16%	0.162	28%	0.281	C	S	.	.			trans	-89.9	143.2	171	-70.8	171.6	0	0	0	112.2	L182 E183 Y225 P227	L182-L186 HydrophobicContact CD2-CB 4.2Å; E183-L186 HydrophobicContact CB-CD1 3.9Å; E183-L186 HydrophobicContact CG-CD1 4.4Å; E183-L186 PolarHBondContact O-N 2.81Å; E183-L186 VanDerWaalsContact O-N 3.13Å; L186-Y225 HydrophobicContact CD1-CD1 4.38Å; L186-P227 HydrophobicContact CD1-CG 4.31Å
187	T	73.6	Confident	76.4	Confident	113 Å²	113	54 Å²	54	69%	0.693	29%	0.29	S	S	*	.			trans	-128.1	140.2	171	58.2	0	0	0	0	110.1
188	L	76.8	Confident	76.2	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.026	27%	0.269	C	S	.	.			trans	-67.4	135.7	173.4	-68	172	0	0	0	109.9	V180 L182 S190 L194 Y225 Y307 L322	V180-L188 HydrophobicContact CB-CD1 4.23Å; V180-L188 HydrophobicContact CG1-CD1 4.43Å; V180-L188 HydrophobicContact CG1-CD2 3.92Å; L182-L188 HydrophobicContact CD1-CG 4.2Å; L182-L188 HydrophobicContact CD2-CD2 3.86Å; L182-L188 HydrophobicContact CD2-CG 3.86Å; L182-L188 HydrophobicContact CG-CG 4.48Å; L188-S190 PolarHBondContact O-N 3.06Å; L188-L194 HydrophobicContact CB-CD2 4.25Å; L188-L194 HydrophobicContact CD2-CD1 3.95Å; L188-Y225 HydrophobicContact CD2-CD1 4.2Å; L188-Y225 HydrophobicContact CD2-CD2 3.93Å; L188-Y225 HydrophobicContact CD2-CE2 4.3Å; L188-Y225 HydrophobicContact CD2-CG 3.85Å; L188-Y307 HydrophobicContact CB-CE1 4.36Å; L188-Y307 HydrophobicContact CB-CE2 3.81Å; L188-Y307 HydrophobicContact CD1-CD2 4.06Å; L188-Y307 HydrophobicContact CD1-CE2 3.74Å; L188-Y307 HydrophobicContact CG-CE2 4.41Å; L188-Y307 PolarHBondContact O-OH 3.25Å; L188-Y307 VanDerWaalsContact O-OH 3.05Å; L188-L322 HydrophobicContact CD1-CD2 3.45Å; L188-L322 VanDerWaalsContact CD1-CD2 3.45Å
189	P	72.6	Confident	76	Confident	30 Å²	30	49.7 Å²	49.7	20%	0.195	27%	0.272	C	S	.	.			trans	-67.9	135.1	178.7	23.1	-27.2	0	0	0	110.4	N191 L194	P189-N191 PolarHBondContact O-N 3.45Å; P189-L194 HydrophobicContact CG-CB 4.12Å
190	S	65	Low	75.9	Confident	83 Å²	83	49.5 Å²	49.5	58%	0.58	27%	0.273	S	S	*	.	S	Bend	trans	-80.8	-1.4	176.2	55	0	0	0	0	114	L188	L188-S190 PolarHBondContact O-N 3.06Å
191	N	63.8	Low	75.9	Confident	73 Å²	73	50.2 Å²	50.2	39%	0.39	28%	0.275	S	S	.	.	S	Bend	trans	-96	169.8	-179.3	63.8	25.2	0	0	0	111.6	P189 K193 L194	P189-N191 PolarHBondContact O-N 3.45Å; N191-K193 PolarHBondContact O-N 3.4Å; N191-K193 WeakPolarHBondContact OD1-CB 3.37Å; N191-K193 WeakPolarHBondContact OD1-CG 3.3Å; N191-K193 PolarHBondContact OD1-N 2.84Å; N191-L194 PolarHBondContact O-N 2.67Å
192	G	63.8	Low	76.1	Confident	17 Å²	17	46.7 Å²	46.7	18%	0.175	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-10.8	-178.6	0	0	0	0	0	116.2	L194 Y195 S196	G192-L194 VanDerWaalsContact C-N 3.33Å; G192-L194 PolarHBondContact O-N 3.44Å; G192-Y195 PolarHBondContact O-N 3.33Å; G192-S196 PolarHBondContact O-N 2.85Å; G192-S196 VanDerWaalsContact O-N 3.14Å
193	K	71.8	Confident	76.3	Confident	112 Å²	112	47.8 Å²	47.8	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-64	-35	177.4	-61.4	-179.8	176.8	-179.1	0	112	N191 S196 K197	N191-K193 PolarHBondContact O-N 3.4Å; N191-K193 WeakPolarHBondContact OD1-CB 3.37Å; N191-K193 WeakPolarHBondContact OD1-CG 3.3Å; N191-K193 PolarHBondContact OD1-N 2.84Å; K193-S196 PolarHBondContact O-N 3.23Å; K193-S196 PolarHBondContact O-OG 3.48Å; K193-K197 PolarHBondContact O-N 3.08Å
194	L	80.3	Confident	76.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-50.5	177	179.6	57.2	0	0	0	111	L188 P189 N191 G192 S196 K197 V198 L231 Y307 L322	L188-L194 HydrophobicContact CB-CD2 4.25Å; L188-L194 HydrophobicContact CD2-CD1 3.95Å; P189-L194 HydrophobicContact CG-CB 4.12Å; N191-L194 PolarHBondContact O-N 2.67Å; G192-L194 VanDerWaalsContact C-N 3.33Å; G192-L194 PolarHBondContact O-N 3.44Å; L194-S196 VanDerWaalsContact C-N 3.33Å; L194-S196 PolarHBondContact O-N 3.01Å; L194-K197 WeakPolarHBondContact O-CB 3.31Å; L194-K197 PolarHBondContact O-N 3.42Å; L194-K197 VanDerWaalsContact O-N 3.09Å; L194-V198 WeakPolarHBondContact O-CG2 3.48Å; L194-V198 PolarHBondContact O-N 2.69Å; L194-L231 HydrophobicContact CD1-CD1 4.15Å; L194-Y307 HydrophobicContact CD2-CD1 3.81Å; L194-Y307 HydrophobicContact CD2-CD2 4.41Å; L194-Y307 HydrophobicContact CD2-CE1 4.27Å; L194-Y307 HydrophobicContact CD2-CG 3.91Å; L194-L322 HydrophobicContact CD1-CD1 4.02Å; L194-L322 HydrophobicContact CD2-CD1 4Å; L194-L322 HydrophobicContact CD2-CD2 4.4Å; L194-L322 HydrophobicContact CG-CD1 3.99Å
195	Y	82.1	Confident	77.6	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-71.7	-28.8	-176.2	-55.9	-75.3	0	0	0	112.6	G192 K197 V198 L199 Y307 L308 C309 I320	G192-Y195 PolarHBondContact O-N 3.33Å; Y195-K197 VanDerWaalsContact C-N 3.29Å; Y195-K197 PolarHBondContact O-N 2.97Å; Y195-V198 PolarHBondContact O-N 3.15Å; Y195-L199 WeakPolarHBondContact O-CB 3.47Å; Y195-L199 VanDerWaalsContact O-CG 3.23Å; Y195-L199 WeakPolarHBondContact O-CG 3.4Å; Y195-L199 PolarHBondContact O-N 3.14Å; Y195-Y307 WeakPolarHBondContact OH-CB 3.49Å; Y195-L308 PolarHBondContact OH-N 3.12Å; Y195-L308 PolarHBondContact OH-O 3.06Å; Y195-C309 HydrophobicContact CD1-CB 3.2Å; Y195-C309 HydrophobicContact CD2-CB 4.29Å; Y195-C309 HydrophobicContact CE1-CB 3.05Å; Y195-C309 HydrophobicContact CE2-CB 4.21Å; Y195-C309 HydrophobicContact CG-CB 3.81Å; Y195-I320 HydrophobicContact CD1-CG2 4.47Å
196	S	81.9	Confident	78.3	Confident	43 Å²	43	38.6 Å²	38.6	30%	0.301	21%	0.207	S	C	.	.	H	α-helix	trans	-60.9	-38.7	169	71.9	0	0	0	0	112.4	G192 K193 L194 L199 N200	G192-S196 PolarHBondContact O-N 2.85Å; G192-S196 VanDerWaalsContact O-N 3.14Å; K193-S196 PolarHBondContact O-N 3.23Å; K193-S196 PolarHBondContact O-OG 3.48Å; L194-S196 VanDerWaalsContact C-N 3.33Å; L194-S196 PolarHBondContact O-N 3.01Å; S196-L199 PolarHBondContact O-N 3.46Å; S196-N200 VanDerWaalsContact O-CG 3.22Å; S196-N200 PolarHBondContact O-N 3.1Å; S196-N200 VanDerWaalsContact O-N 3.09Å; S196-N200 PolarHBondContact O-OD1 3.16Å
197	K	83.8	Confident	78.4	Confident	43 Å²	43	44.2 Å²	44.2	19%	0.187	23%	0.227	C	C	.	.	H	α-helix	trans	-70.7	-38.2	176.4	-66.2	174.8	-178	-77.1	0	111.6	K193 L194 Y195 N200 W201 H229 L231	K193-K197 PolarHBondContact O-N 3.08Å; L194-K197 WeakPolarHBondContact O-CB 3.31Å; L194-K197 PolarHBondContact O-N 3.42Å; L194-K197 VanDerWaalsContact O-N 3.09Å; Y195-K197 VanDerWaalsContact C-N 3.29Å; Y195-K197 PolarHBondContact O-N 2.97Å; K197-N200 PolarHBondContact O-N 3.49Å; K197-W201 WeakPolarHBondContact O-CB 3.18Å; K197-W201 PolarHBondContact O-N 2.92Å; K197-H229 VanDerWaalsContact CD-O 3.3Å; K197-H229 WeakPolarHBondContact CD-O 3.26Å; K197-H229 WeakPolarHBondContact CE-O 3.35Å; K197-H229 PolarHBondContact NZ-O 3.3Å; K197-L231 HydrophobicContact CB-CD1 3.46Å; K197-L231 VanDerWaalsContact CB-CD1 3.46Å; K197-L231 HydrophobicContact CD-CD1 4.38Å
198	V	85.9	Confident	78	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-46.4	173.4	175	0	0	0	0	111.5	L176 L178 L194 Y195 N200 W201 V202 L231 I320 L322	L176-V198 HydrophobicContact CD2-CG1 4.26Å; L178-V198 HydrophobicContact CD1-CB 4.26Å; L178-V198 HydrophobicContact CD1-CG1 3.39Å; L178-V198 HydrophobicContact CD1-CG2 3.83Å; L194-V198 WeakPolarHBondContact O-CG2 3.48Å; L194-V198 PolarHBondContact O-N 2.69Å; Y195-V198 PolarHBondContact O-N 3.15Å; V198-N200 VanDerWaalsContact C-N 3.3Å; V198-N200 PolarHBondContact O-N 2.94Å; V198-W201 WeakPolarHBondContact O-CB 3.34Å; V198-W201 PolarHBondContact O-N 3.1Å; V198-W201 VanDerWaalsContact O-N 3.16Å; V198-V202 HydrophobicContact CG1-CG2 4.37Å; V198-V202 WeakPolarHBondContact O-CG2 3.4Å; V198-V202 PolarHBondContact O-N 3.41Å; V198-L231 HydrophobicContact CG2-CD1 4.28Å; V198-I320 HydrophobicContact CG1-CD1 4Å; V198-I320 HydrophobicContact CG1-CG2 3.91Å; V198-L322 HydrophobicContact CG2-CD1 3.53Å
199	L	86.9	Confident	77.2	Confident	13 Å²	13	50.1 Å²	50.1	7%	0.068	25%	0.249	C	C	.	.	H	α-helix	trans	-58.3	-44.8	177.6	-72.7	172.6	0	0	0	111.4	Y195 S196 W201 V202 Q203 W294 Y296 A311 L313 I320	Y195-L199 WeakPolarHBondContact O-CB 3.47Å; Y195-L199 VanDerWaalsContact O-CG 3.23Å; Y195-L199 WeakPolarHBondContact O-CG 3.4Å; Y195-L199 PolarHBondContact O-N 3.14Å; S196-L199 PolarHBondContact O-N 3.46Å; L199-W201 VanDerWaalsContact C-N 3.33Å; L199-W201 PolarHBondContact O-N 3.44Å; L199-V202 PolarHBondContact O-N 3.37Å; L199-Q203 WeakPolarHBondContact O-CG 3.36Å; L199-Q203 PolarHBondContact O-N 3.05Å; L199-W294 HydrophobicContact CD2-CE3 4.46Å; L199-Y296 HydrophobicContact CD1-CD1 4.39Å; L199-A311 HydrophobicContact CD2-CB 4.35Å; L199-L313 HydrophobicContact CD2-CD2 3.22Å; L199-I320 HydrophobicContact CD2-CD1 4.46Å
200	N	85	Confident	76.7	Confident	56 Å²	56	51.4 Å²	51.4	30%	0.299	27%	0.268	S	S	.	.	H	α-helix	trans	-63.6	-39.8	176.7	-70.3	-6.8	0	0	0	112	S196 K197 V198 Q203 R204	S196-N200 VanDerWaalsContact O-CG 3.22Å; S196-N200 PolarHBondContact O-N 3.1Å; S196-N200 VanDerWaalsContact O-N 3.09Å; S196-N200 PolarHBondContact O-OD1 3.16Å; K197-N200 PolarHBondContact O-N 3.49Å; V198-N200 VanDerWaalsContact C-N 3.3Å; V198-N200 PolarHBondContact O-N 2.94Å; N200-Q203 PolarHBondContact O-N 3.09Å; N200-R204 WeakPolarHBondContact O-CG 3.44Å; N200-R204 PolarHBondContact O-N 3.11Å
201	W	87.2	Confident	76.8	Confident	14 Å²	14	49.4 Å²	49.4	5%	0.053	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-50.1	174.8	170.6	80.9	0	0	0	111.3	L176 L178 K197 V198 L199 Q203 R204 S205 L216 Q221 L223 D233	L176-W201 HydrophobicContact CD1-CZ3 4.26Å; L176-W201 HydrophobicContact CD2-CZ3 4.21Å; L178-W201 HydrophobicContact CD2-CE3 4.3Å; L178-W201 HydrophobicContact CD2-CH2 4.04Å; L178-W201 HydrophobicContact CD2-CZ3 3.67Å; K197-W201 WeakPolarHBondContact O-CB 3.18Å; K197-W201 PolarHBondContact O-N 2.92Å; V198-W201 WeakPolarHBondContact O-CB 3.34Å; V198-W201 PolarHBondContact O-N 3.1Å; V198-W201 VanDerWaalsContact O-N 3.16Å; L199-W201 VanDerWaalsContact C-N 3.33Å; L199-W201 PolarHBondContact O-N 3.44Å; W201-Q203 VanDerWaalsContact C-N 3.29Å; W201-Q203 PolarHBondContact O-N 2.91Å; W201-R204 WeakPolarHBondContact O-CB 2.99Å; W201-R204 PolarHBondContact O-N 2.71Å; W201-R204 VanDerWaalsContact O-N 3.1Å; W201-S205 PolarHBondContact O-N 2.8Å; W201-S205 PolarHBondContact O-OG 2.86Å; W201-S205 VanDerWaalsContact O-OG 3.11Å; W201-L216 HydrophobicContact CH2-CD2 4.13Å; W201-Q221 HydrophobicContact CH2-CB 3.77Å; W201-Q221 HydrophobicContact CH2-CG 3.72Å; W201-Q221 HydrophobicContact CZ2-CB 4.14Å; W201-Q221 HydrophobicContact CZ2-CG 4.4Å; W201-L223 HydrophobicContact CD2-CD1 3.81Å; W201-L223 HydrophobicContact CD2-CD2 4.19Å; W201-L223 VanDerWaalsContact CE2-CD2 3.49Å; W201-L223 HydrophobicContact CE3-CD1 4.14Å; W201-L223 HydrophobicContact CG-CD1 4.13Å; W201-L223 HydrophobicContact CG-CD2 4.49Å; W201-L223 HydrophobicContact CZ2-CD1 4.43Å; W201-L223 HydrophobicContact CZ2-CD2 3.8Å; W201-L223 VanDerWaalsContact NE1-CD2 3.29Å; W201-D233 PolarHBondContact NE1-OD1 3.07Å
202	V	86.3	Confident	77.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-56.6	-44.5	176.6	177.3	0	0	0	0	110.9	L176 V198 L199 R204 S205 L206 L213 L216 W294	L176-V202 HydrophobicContact CD2-CG2 3.37Å; V198-V202 HydrophobicContact CG1-CG2 4.37Å; V198-V202 WeakPolarHBondContact O-CG2 3.4Å; V198-V202 PolarHBondContact O-N 3.41Å; L199-V202 PolarHBondContact O-N 3.37Å; V202-R204 VanDerWaalsContact C-N 3.35Å; V202-R204 PolarHBondContact O-N 2.82Å; V202-S205 PolarHBondContact O-N 3.15Å; V202-L206 HydrophobicContact CG1-CD1 3.97Å; V202-L206 HydrophobicContact CG1-CG 4.35Å; V202-L206 VanDerWaalsContact O-CG 3.27Å; V202-L206 WeakPolarHBondContact O-CG 3.32Å; V202-L206 PolarHBondContact O-N 3.31Å; V202-L213 HydrophobicContact CG1-CD1 4.02Å; V202-L216 HydrophobicContact CG1-CD1 4.22Å; V202-W294 HydrophobicContact CB-CZ3 4.49Å; V202-W294 HydrophobicContact CG1-CH2 4.22Å; V202-W294 HydrophobicContact CG1-CZ3 3.96Å
203	Q	85.4	Confident	78.6	Confident	33 Å²	33	52 Å²	52	15%	0.154	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-43.1	178.1	-76.1	175.7	-16.4	0	0	112.3	L199 N200 W201 L206 W207 W294	L199-Q203 WeakPolarHBondContact O-CG 3.36Å; L199-Q203 PolarHBondContact O-N 3.05Å; N200-Q203 PolarHBondContact O-N 3.09Å; W201-Q203 VanDerWaalsContact C-N 3.29Å; W201-Q203 PolarHBondContact O-N 2.91Å; Q203-L206 PolarHBondContact O-N 3.03Å; Q203-W207 HydrophobicContact CB-CE3 4.15Å; Q203-W207 HydrophobicContact CB-CH2 4.19Å; Q203-W207 HydrophobicContact CB-CZ3 3.93Å; Q203-W207 HydrophobicContact CG-CH2 4.12Å; Q203-W207 HydrophobicContact CG-CZ2 4.49Å; Q203-W207 HydrophobicContact CG-CZ3 4.34Å; Q203-W207 WeakPolarHBondContact O-CB 3.22Å; Q203-W207 PolarHBondContact O-N 3.04Å; Q203-W207 VanDerWaalsContact O-N 3.08Å; Q203-W294 HydrophobicContact CG-CD2 3.82Å; Q203-W294 HydrophobicContact CG-CE3 3.73Å; Q203-W294 HydrophobicContact CG-CH2 4.01Å; Q203-W294 HydrophobicContact CG-CZ2 4.05Å; Q203-W294 HydrophobicContact CG-CZ3 3.83Å
204	R	82.5	Confident	79.2	Confident	120 Å²	120	52.2 Å²	52.2	45%	0.453	26%	0.259	S	S	.	.	H	α-helix	trans	-63.2	-48.3	175.3	-72.7	177	-173.8	174.5	-1.2	111.5	N200 W201 V202 L206 W207 E208	N200-R204 WeakPolarHBondContact O-CG 3.44Å; N200-R204 PolarHBondContact O-N 3.11Å; W201-R204 WeakPolarHBondContact O-CB 2.99Å; W201-R204 PolarHBondContact O-N 2.71Å; W201-R204 VanDerWaalsContact O-N 3.1Å; V202-R204 VanDerWaalsContact C-N 3.35Å; V202-R204 PolarHBondContact O-N 2.82Å; R204-L206 VanDerWaalsContact C-N 3.28Å; R204-L206 PolarHBondContact O-N 2.78Å; R204-W207 PolarHBondContact O-N 3.02Å; R204-W207 VanDerWaalsContact O-N 3.15Å; R204-E208 VanDerWaalsContact O-CB 3.32Å; R204-E208 WeakPolarHBondContact O-CB 3.49Å; R204-E208 PolarHBondContact O-N 2.92Å
205	S	80.1	Confident	79.3	Confident	4 Å²	4	59.3 Å²	59.3	3%	0.028	29%	0.286	C	S	.	.	H	α-helix	trans	-57.7	-40.3	178.9	-52.3	0	0	0	0	112.3	W201 V202 N209 D211	W201-S205 PolarHBondContact O-N 2.8Å; W201-S205 PolarHBondContact O-OG 2.86Å; W201-S205 VanDerWaalsContact O-OG 3.11Å; V202-S205 PolarHBondContact O-N 3.15Å; S205-N209 WeakPolarHBondContact O-CB 3.25Å; S205-N209 PolarHBondContact O-N 3.3Å; S205-D211 PolarHBondContact O-N 3.23Å
206	L	80.4	Confident	79.3	Confident	18 Å²	18	59.5 Å²	59.5	9%	0.094	29%	0.287	C	S	.	.	H	α-helix	trans	-72.2	-33.9	178.2	-64.3	174.7	0	0	0	113.8	V202 Q203 R204 D211 Q212 L213 L216 W294	V202-L206 HydrophobicContact CG1-CD1 3.97Å; V202-L206 HydrophobicContact CG1-CG 4.35Å; V202-L206 VanDerWaalsContact O-CG 3.27Å; V202-L206 WeakPolarHBondContact O-CG 3.32Å; V202-L206 PolarHBondContact O-N 3.31Å; Q203-L206 PolarHBondContact O-N 3.03Å; R204-L206 VanDerWaalsContact C-N 3.28Å; R204-L206 PolarHBondContact O-N 2.78Å; L206-D211 WeakPolarHBondContact CD2-O 3.26Å; L206-Q212 VanDerWaalsContact CD2-C 3.47Å; L206-L213 HydrophobicContact CD1-CB 4.49Å; L206-L213 HydrophobicContact CD2-CB 4.18Å; L206-L213 VanDerWaalsContact CD2-N 3.3Å; L206-L216 HydrophobicContact CD2-CD1 3.82Å; L206-L216 HydrophobicContact CG-CD1 4.13Å; L206-W294 HydrophobicContact CD1-CH2 3.54Å; L206-W294 HydrophobicContact CD1-CZ2 4.18Å
207	W	72.4	Confident	79.5	Confident	150 Å²	150	59.2 Å²	59.2	57%	0.568	28%	0.281	S	S	*	.	H	α-helix	trans	-94.7	-36.2	-173.5	-65.6	-21.3	0	0	0	114.1	Q203 R204	Q203-W207 HydrophobicContact CB-CE3 4.15Å; Q203-W207 HydrophobicContact CB-CH2 4.19Å; Q203-W207 HydrophobicContact CB-CZ3 3.93Å; Q203-W207 HydrophobicContact CG-CH2 4.12Å; Q203-W207 HydrophobicContact CG-CZ2 4.49Å; Q203-W207 HydrophobicContact CG-CZ3 4.34Å; Q203-W207 WeakPolarHBondContact O-CB 3.22Å; Q203-W207 PolarHBondContact O-N 3.04Å; Q203-W207 VanDerWaalsContact O-N 3.08Å; R204-W207 PolarHBondContact O-N 3.02Å; R204-W207 VanDerWaalsContact O-N 3.15Å
208	E	64	Low	79.5	Confident	142 Å²	142	64.4 Å²	64.4	66%	0.664	31%	0.307	S	S	*	.	H	α-helix	trans	-88.8	-44.1	-177.6	-64	176	175.3	0	0	111.1	R204	R204-E208 VanDerWaalsContact O-CB 3.32Å; R204-E208 WeakPolarHBondContact O-CB 3.49Å; R204-E208 PolarHBondContact O-N 2.92Å
209	N	59.5	Low	79.2	Confident	99 Å²	99	71 Å²	71	53%	0.529	34%	0.337	S	S	.	.	S	Bend	trans	-89.8	-9.3	-179.5	-56.5	-20.7	0	0	0	112.8	S205 D211	S205-N209 WeakPolarHBondContact O-CB 3.25Å; S205-N209 PolarHBondContact O-N 3.3Å; N209-D211 WeakPolarHBondContact CB-OD2 3.37Å; N209-D211 PolarHBondContact O-N 2.96Å
210	G	61.8	Low	79.1	Confident	57 Å²	57	73.9 Å²	73.9	59%	0.588	36%	0.355	S	S	*	.			trans	67.2	20.5	-177.2	0	0	0	0	0	113.5
211	D	68.9	Low	79.3	Confident	42 Å²	42	73.1 Å²	73.1	23%	0.225	35%	0.35	C	S	.	.			trans	-68	156	178.6	-75.8	-46.5	0	0	0	111.9	S205 L206 N209 R215 L216	S205-D211 PolarHBondContact O-N 3.23Å; L206-D211 WeakPolarHBondContact CD2-O 3.26Å; N209-D211 WeakPolarHBondContact CB-OD2 3.37Å; N209-D211 PolarHBondContact O-N 2.96Å; D211-R215 IonicContact OD1-NH1 3.9Å; D211-L216 HydrophobicContact CB-CG 4.45Å
212	Q	80	Confident	79.2	Confident	132 Å²	132	75.3 Å²	75.3	62%	0.617	37%	0.365	S	S	*	.			trans	-95.7	146.1	170.3	-70	-176.6	-10.4	0	0	109.4	L206 E214 R215 L216	L206-Q212 VanDerWaalsContact CD2-C 3.47Å; Q212-E214 PolarHBondContact O-N 2.96Å; Q212-R215 WeakPolarHBondContact O-CB 3.36Å; Q212-R215 PolarHBondContact O-N 3.27Å; Q212-L216 PolarHBondContact O-N 2.98Å
213	L	84	Confident	79.2	Confident	12 Å²	12	75.3 Å²	75.3	6%	0.063	37%	0.365	C	S	.	.	H	α-helix	trans	-58.9	-36.4	-178.4	179.9	62.1	0	0	0	110.8	V202 L206 R215 L216 M217 L313 V316	V202-L213 HydrophobicContact CG1-CD1 4.02Å; L206-L213 HydrophobicContact CD1-CB 4.49Å; L206-L213 HydrophobicContact CD2-CB 4.18Å; L206-L213 VanDerWaalsContact CD2-N 3.3Å; L213-R215 VanDerWaalsContact C-N 3.33Å; L213-R215 PolarHBondContact O-N 3.44Å; L213-L216 PolarHBondContact O-N 3.09Å; L213-M217 HydrophobicContact CD1-CG 4.44Å; L213-M217 HydrophobicContact CD1-SD 4.05Å; L213-M217 HydrophobicContact CD2-SD 4.37Å; L213-M217 HydrophobicContact CG-SD 3.75Å; L213-M217 WeakPolarHBondContact O-CG 3.18Å; L213-M217 PolarHBondContact O-N 2.69Å; L213-L313 HydrophobicContact CD1-CB 4.19Å; L213-L313 HydrophobicContact CD1-CD1 4.1Å; L213-L313 HydrophobicContact CD2-CB 3.82Å; L213-V316 HydrophobicContact CD2-CB 4.35Å; L213-V316 HydrophobicContact CD2-CG2 4.42Å
214	E	83.9	Confident	79	Confident	117 Å²	117	76 Å²	76	55%	0.547	37%	0.366	S	S	.	.	H	α-helix	trans	-57.3	-43.8	175.6	-63.3	78.9	-172.9	0	0	112	Q212 L216 M217 E218	Q212-E214 PolarHBondContact O-N 2.96Å; E214-L216 PolarHBondContact O-N 3.25Å; E214-M217 PolarHBondContact O-N 3.49Å; E214-M217 VanDerWaalsContact O-N 3.12Å; E214-E218 WeakPolarHBondContact O-CG 3.34Å; E214-E218 PolarHBondContact O-N 3.14Å; E214-E218 VanDerWaalsContact O-N 3.13Å
215	R	82.6	Confident	79.1	Confident	148 Å²	148	70.6 Å²	70.6	56%	0.558	35%	0.346	S	S	*	.	H	α-helix	trans	-65	-41.6	179.8	-179.1	178.6	-79.5	151.1	-4.3	111.9	D211 Q212 L213 M217 E218	D211-R215 IonicContact OD1-NH1 3.9Å; Q212-R215 WeakPolarHBondContact O-CB 3.36Å; Q212-R215 PolarHBondContact O-N 3.27Å; L213-R215 VanDerWaalsContact C-N 3.33Å; L213-R215 PolarHBondContact O-N 3.44Å; R215-M217 PolarHBondContact O-N 3.09Å; R215-E218 PolarHBondContact O-N 3.43Å
216	L	83.6	Confident	78.9	Confident	6 Å²	6	70.7 Å²	70.7	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-62.5	-25.3	176.2	-67.1	175.3	0	0	0	112.4	L176 W201 V202 L206 D211 Q212 L213 E214 Q221	L176-L216 HydrophobicContact CD1-CB 4.16Å; L176-L216 WeakPolarHBondContact CD1-O 3.43Å; W201-L216 HydrophobicContact CH2-CD2 4.13Å; V202-L216 HydrophobicContact CG1-CD1 4.22Å; L206-L216 HydrophobicContact CD2-CD1 3.82Å; L206-L216 HydrophobicContact CG-CD1 4.13Å; D211-L216 HydrophobicContact CB-CG 4.45Å; Q212-L216 PolarHBondContact O-N 2.98Å; L213-L216 PolarHBondContact O-N 3.09Å; E214-L216 PolarHBondContact O-N 3.25Å; L216-Q221 PolarHBondContact O-NE2 3.31Å
217	M	86.2	Confident	78.4	Confident	37 Å²	37	73.4 Å²	73.4	18%	0.182	37%	0.365	C	S	.	.	H	α-helix	trans	-92.1	-14.1	-177.7	-63.4	175.4	100	0	0	113.4	P174 R175 L176 L213 E214 R215	P174-M217 HydrophobicContact CB-CE 3.25Å; P174-M217 HydrophobicContact CB-SD 4Å; R175-M217 VanDerWaalsContact N-CE 3.31Å; R175-M217 WeakPolarHBondContact O-CB 3.5Å; L176-M217 HydrophobicContact CB-CE 4.43Å; L176-M217 HydrophobicContact CB-CG 4.39Å; L176-M217 HydrophobicContact CD1-CG 4.45Å; L213-M217 HydrophobicContact CD1-CG 4.44Å; L213-M217 HydrophobicContact CD1-SD 4.05Å; L213-M217 HydrophobicContact CD2-SD 4.37Å; L213-M217 HydrophobicContact CG-SD 3.75Å; L213-M217 WeakPolarHBondContact O-CG 3.18Å; L213-M217 PolarHBondContact O-N 2.69Å; E214-M217 PolarHBondContact O-N 3.49Å; E214-M217 VanDerWaalsContact O-N 3.12Å; R215-M217 PolarHBondContact O-N 3.09Å
218	E	83.3	Confident	78.4	Confident	153 Å²	153	70.3 Å²	70.3	72%	0.715	36%	0.36	S	S	*	.	H	α-helix	trans	-72.1	-37.8	175.1	-76.7	172.8	174.7	0	0	111.9	E214 R215	E214-E218 WeakPolarHBondContact O-CG 3.34Å; E214-E218 PolarHBondContact O-N 3.14Å; E214-E218 VanDerWaalsContact O-N 3.13Å; R215-E218 PolarHBondContact O-N 3.43Å
219	E	80.3	Confident	78.7	Confident	137 Å²	137	68 Å²	68	64%	0.64	35%	0.349	S	S	*	.	S	Bend	trans	-112.7	157.7	-175.2	-63.3	-171.8	168.9	0	0	113	Q221	E219-Q221 PolarHBondContact O-NE2 3.03Å
220	V	84.8	Confident	79.5	Confident	75 Å²	75	68.4 Å²	68.4	46%	0.455	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.9	171.4	179.8	0	0	0	0	108	K177 E179	K177-V220 HydrophobicContact CB-CG1 4.49Å; K177-V220 HydrophobicContact CB-CG2 4.08Å; K177-V220 HydrophobicContact CD-CG2 4.14Å; E179-V220 HydrophobicContact CB-CG1 4.28Å; E179-V220 HydrophobicContact CG-CG1 3.68Å
221	Q	87.4	Confident	80.4	Confident	39 Å²	39	66.3 Å²	66.3	18%	0.182	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.1	-175.1	-51.4	-67.7	-31.9	0	0	109.2	L176 K177 L178 E179 W201 L216 E219	L176-Q221 HydrophobicContact CD1-CG 4.5Å; K177-Q221 PolarHBondContact O-N 3.43Å; L178-Q221 CarbonylContact C-O 3.47Å; L178-Q221 WeakPolarHBondContact CA-O 3.43Å; L178-Q221 HydrophobicContact CD2-CB 3.62Å; L178-Q221 HydrophobicContact CD2-CG 4.14Å; E179-Q221 PolarHBondContact N-O 2.84Å; W201-Q221 HydrophobicContact CH2-CB 3.77Å; W201-Q221 HydrophobicContact CH2-CG 3.72Å; W201-Q221 HydrophobicContact CZ2-CB 4.14Å; W201-Q221 HydrophobicContact CZ2-CG 4.4Å; L216-Q221 PolarHBondContact O-NE2 3.31Å; E219-Q221 PolarHBondContact O-NE2 3.03Å
222	T	85.9	Confident	80.8	Confident	60 Å²	60	68 Å²	68	37%	0.368	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.4	179	-53.7	0	0	0	0	109.8	E179 M181 G234	E179-T222 CarbonylContact O-C 3.52Å; E179-T222 WeakPolarHBondContact O-CA 3.31Å; M181-T222 HydrophobicContact CG-CG2 4.2Å; M181-T222 HydrophobicContact SD-CG2 4.13Å; T222-G234 WeakPolarHBondContact O-CA 3.23Å; T222-G234 PolarHBondContact O-N 3.26Å
223	L	86.3	Confident	80.5	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	156	179.9	-53.9	177.6	0	0	0	109.9	L178 E179 V180 M181 W201 L231 L232 D233	L178-L223 HydrophobicContact CD1-CD1 4.28Å; L178-L223 HydrophobicContact CD2-CD1 4.19Å; E179-L223 PolarHBondContact O-N 3.24Å; V180-L223 CarbonylContact C-O 3.56Å; V180-L223 VanDerWaalsContact CA-O 3.29Å; V180-L223 WeakPolarHBondContact CA-O 3.44Å; V180-L223 HydrophobicContact CG2-CB 4.36Å; M181-L223 PolarHBondContact N-O 3.44Å; W201-L223 HydrophobicContact CD2-CD1 3.81Å; W201-L223 HydrophobicContact CD2-CD2 4.19Å; W201-L223 VanDerWaalsContact CE2-CD2 3.49Å; W201-L223 HydrophobicContact CE3-CD1 4.14Å; W201-L223 HydrophobicContact CG-CD1 4.13Å; W201-L223 HydrophobicContact CG-CD2 4.49Å; W201-L223 HydrophobicContact CZ2-CD1 4.43Å; W201-L223 HydrophobicContact CZ2-CD2 3.8Å; W201-L223 VanDerWaalsContact NE1-CD2 3.29Å; L223-L231 HydrophobicContact CB-CD2 3.7Å; L223-L231 HydrophobicContact CD1-CD2 3.56Å; L223-L231 HydrophobicContact CG-CD2 4.27Å; L223-L232 CarbonylContact C-O 3.59Å; L223-L232 WeakPolarHBondContact CA-O 3.33Å; L223-L232 WeakPolarHBondContact CB-O 3.44Å; L223-D233 WeakPolarHBondContact CD2-OD1 3.47Å
224	Y	81.9	Confident	79.1	Confident	46 Å²	46	64.7 Å²	64.7	18%	0.18	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.5	175.2	174.9	-94.2	0	0	0	109.6	M181 E183 L231 L232	M181-Y224 HydrophobicContact CB-CD2 4.18Å; E183-Y224 HydrophobicContact CG-CE2 3.94Å; E183-Y224 WeakPolarHBondContact CG-OH 3.35Å; E183-Y224 PolarHBondContact OE1-OH 3.13Å; Y224-L231 WeakPolarHBondContact O-CA 3.2Å; Y224-L232 HydrophobicContact CD1-CD1 4.39Å; Y224-L232 PolarHBondContact N-O 2.85Å; Y224-L232 PolarHBondContact O-N 3.47Å
225	Y	83.6	Confident	77.5	Confident	7 Å²	7	62.6 Å²	62.6	3%	0.027	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	106.6	176.2	-171.9	-102.9	0	0	0	109.9	M181 L182 L186 L188 H229 K230 L231	M181-Y225 PolarHBondContact O-N 3.04Å; L182-Y225 HydrophobicContact CD2-CD1 3.64Å; L182-Y225 HydrophobicContact CD2-CG 4.02Å; L186-Y225 HydrophobicContact CD1-CD1 4.38Å; L188-Y225 HydrophobicContact CD2-CD1 4.2Å; L188-Y225 HydrophobicContact CD2-CD2 3.93Å; L188-Y225 HydrophobicContact CD2-CE2 4.3Å; L188-Y225 HydrophobicContact CD2-CG 3.85Å; Y225-H229 AromaticContact CE1-ND1 3.65Å; Y225-H229 HydrophobicContact CE2-CB 4.33Å; Y225-H229 AromaticContact CZ-ND1 3.66Å; Y225-H229 VanDerWaalsContact OH-CB 3.3Å; Y225-H229 WeakPolarHBondContact OH-CB 3.47Å; Y225-H229 PolarHBondContact OH-ND1 3.47Å; Y225-H229 VanDerWaalsContact OH-ND1 3.14Å; Y225-K230 WeakPolarHBondContact CA-O 3.2Å; Y225-K230 WeakPolarHBondContact CD2-O 3.34Å; Y225-L231 HydrophobicContact CD2-CG 4.27Å
226	S	76.7	Confident	75.7	Confident	7 Å²	7	62.8 Å²	62.8	5%	0.049	34%	0.342	C	S	.	.			trans	-80.3	161.8	-173.8	50.2	0	0	0	0	112.9	D228 H229 K230	S226-D228 WeakPolarHBondContact CB-OD1 3.33Å; S226-D228 PolarHBondContact O-N 3.09Å; S226-D228 PolarHBondContact OG-OD1 3.04Å; S226-H229 WeakPolarHBondContact O-CA 3.25Å; S226-H229 PolarHBondContact O-N 3.06Å; S226-K230 PolarHBondContact N-O 3.35Å; S226-K230 VanDerWaalsContact N-O 3.1Å; S226-K230 WeakPolarHBondContact OG-CB 3.5Å; S226-K230 PolarHBondContact OG-N 3Å; S226-K230 VanDerWaalsContact OG-N 3.15Å; S226-K230 PolarHBondContact OG-O 2.83Å
227	P	68.9	Low	73.8	Confident	74 Å²	74	66.8 Å²	66.8	48%	0.481	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-29.5	175.6	-28.9	37.4	0	0	0	114.6	E183 L186 H229	E183-P227 WeakPolarHBondContact OE2-CG 3.32Å; L186-P227 HydrophobicContact CD1-CG 4.31Å; P227-H229 PolarHBondContact O-N 3.33Å
228	D	72	Confident	71.5	Confident	85 Å²	85	71.9 Å²	71.9	46%	0.455	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	14.9	172.3	71.7	-20.9	0	0	0	113.1	S226 K230	S226-D228 WeakPolarHBondContact CB-OD1 3.33Å; S226-D228 PolarHBondContact O-N 3.09Å; S226-D228 PolarHBondContact OG-OD1 3.04Å; D228-K230 VanDerWaalsContact C-N 3.31Å; D228-K230 PolarHBondContact O-N 2.91Å; D228-K230 WeakPolarHBondContact OD2-CD 3.3Å; D228-K230 WeakPolarHBondContact OD2-CE 3.33Å; D228-K230 IonicContact OD2-NZ 3.27Å; D228-K230 PolarHBondContact OD2-NZ 2.87Å
229	H	71.8	Confident	68.9	Low	95 Å²	95	72 Å²	72	44%	0.44	40%	0.399	S	S	.	.	S	Bend	trans	61.3	29.8	176	-56.9	-41.5	0	0	0	114.4	K197 Y225 S226 P227	K197-H229 VanDerWaalsContact CD-O 3.3Å; K197-H229 WeakPolarHBondContact CD-O 3.26Å; K197-H229 WeakPolarHBondContact CE-O 3.35Å; K197-H229 PolarHBondContact NZ-O 3.3Å; Y225-H229 AromaticContact CE1-ND1 3.65Å; Y225-H229 HydrophobicContact CE2-CB 4.33Å; Y225-H229 AromaticContact CZ-ND1 3.66Å; Y225-H229 VanDerWaalsContact OH-CB 3.3Å; Y225-H229 WeakPolarHBondContact OH-CB 3.47Å; Y225-H229 PolarHBondContact OH-ND1 3.47Å; Y225-H229 VanDerWaalsContact OH-ND1 3.14Å; S226-H229 WeakPolarHBondContact O-CA 3.25Å; S226-H229 PolarHBondContact O-N 3.06Å; P227-H229 PolarHBondContact O-N 3.33Å
230	K	76.6	Confident	66.8	Low	107 Å²	107	68.4 Å²	68.4	47%	0.465	40%	0.398	S	S	.	.			trans	-95.3	156.3	174.4	-62.8	179.8	-173.9	143.2	0	111.2	Y225 S226 D228 L232	Y225-K230 WeakPolarHBondContact CA-O 3.2Å; Y225-K230 WeakPolarHBondContact CD2-O 3.34Å; S226-K230 PolarHBondContact N-O 3.35Å; S226-K230 VanDerWaalsContact N-O 3.1Å; S226-K230 WeakPolarHBondContact OG-CB 3.5Å; S226-K230 PolarHBondContact OG-N 3Å; S226-K230 VanDerWaalsContact OG-N 3.15Å; S226-K230 PolarHBondContact OG-O 2.83Å; D228-K230 VanDerWaalsContact C-N 3.31Å; D228-K230 PolarHBondContact O-N 2.91Å; D228-K230 WeakPolarHBondContact OD2-CD 3.3Å; D228-K230 WeakPolarHBondContact OD2-CE 3.33Å; D228-K230 IonicContact OD2-NZ 3.27Å; D228-K230 PolarHBondContact OD2-NZ 2.87Å; K230-L232 HydrophobicContact CB-CD2 4.48Å
231	L	79.5	Confident	64.1	Low	13 Å²	13	73.7 Å²	73.7	7%	0.068	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.3	170.7	-93.2	138.9	0	0	0	107.3	V180 L194 K197 V198 L223 Y224 Y225	V180-L231 HydrophobicContact CG1-CD2 4.06Å; V180-L231 HydrophobicContact CG2-CD2 3.92Å; L194-L231 HydrophobicContact CD1-CD1 4.15Å; K197-L231 HydrophobicContact CB-CD1 3.46Å; K197-L231 VanDerWaalsContact CB-CD1 3.46Å; K197-L231 HydrophobicContact CD-CD1 4.38Å; V198-L231 HydrophobicContact CG2-CD1 4.28Å; L223-L231 HydrophobicContact CB-CD2 3.7Å; L223-L231 HydrophobicContact CD1-CD2 3.56Å; L223-L231 HydrophobicContact CG-CD2 4.27Å; Y224-L231 WeakPolarHBondContact O-CA 3.2Å; Y225-L231 HydrophobicContact CD2-CG 4.27Å
232	L	77.5	Confident	61.3	Low	76 Å²	76	76.8 Å²	76.8	40%	0.398	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	153.4	-176.7	-59	175.2	0	0	0	110.3	L223 Y224 K230	L223-L232 CarbonylContact C-O 3.59Å; L223-L232 WeakPolarHBondContact CA-O 3.33Å; L223-L232 WeakPolarHBondContact CB-O 3.44Å; Y224-L232 HydrophobicContact CD1-CD1 4.39Å; Y224-L232 PolarHBondContact N-O 2.85Å; Y224-L232 PolarHBondContact O-N 3.47Å; K230-L232 HydrophobicContact CB-CD2 4.48Å
233	D	74.3	Confident	58.4	Low	59 Å²	59	82 Å²	82	32%	0.316	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	130.3	176.4	-72.4	-39.8	0	0	0	111.4	W201 L223 G235 L236	W201-D233 PolarHBondContact NE1-OD1 3.07Å; L223-D233 WeakPolarHBondContact CD2-OD1 3.47Å; D233-G235 PolarHBondContact O-N 2.83Å; D233-L236 PolarHBondContact O-N 2.83Å
234	G	54.9	Low	55.7	Low	16 Å²	16	88.4 Å²	88.4	17%	0.165	50%	0.502	C	S	.	.	G	3₁₀ helix	trans	-66.4	-15.2	-178.8	0	0	0	0	0	114.7	T222 L236	T222-G234 WeakPolarHBondContact O-CA 3.23Å; T222-G234 PolarHBondContact O-N 3.26Å; G234-L236 VanDerWaalsContact C-N 3.34Å; G234-L236 PolarHBondContact O-N 3.25Å
235	G	50.3	Low	53	Low	74 Å²	74	95.4 Å²	95.4	76%	0.763	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-73.9	-18.4	179.4	0	0	0	0	0	114.9	D233	D233-G235 PolarHBondContact O-N 2.83Å
236	L	44.8	Very low	50.3	Low	151 Å²	151	98.3 Å²	98.3	79%	0.791	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-91.7	-5.1	-176.1	-76.7	165.8	0	0	0	114.2	D233 G234	D233-L236 PolarHBondContact O-N 2.83Å; G234-L236 VanDerWaalsContact C-N 3.34Å; G234-L236 PolarHBondContact O-N 3.25Å
237	V	43.6	Very low	47.9	Very low	90 Å²	90	101.7 Å²	101.7	55%	0.545	60%	0.602	S	S	.	*	S	Bend	trans	-107.5	-5.7	-170.7	-172.2	0	0	0	0	112.9
238	I	37.6	Very low	46	Very low	145 Å²	145	107.1 Å²	107.1	74%	0.744	62%	0.621	S	S	*	*	S	Bend	trans	-101.6	-13.3	-173.8	-60.7	-177.7	0	0	0	114.6
239	D	28.3	Very low	43.9	Very low	156 Å²	156	109.7 Å²	109.7	83%	0.834	64%	0.635	S	S	*	*			trans	-99.8	89.1	168.1	-93.6	-13.4	0	0	0	110.5
240	G	35.8	Very low	41.7	Very low	61 Å²	61	111.7 Å²	111.7	63%	0.629	65%	0.649	S	S	*	*			trans	-64.4	133.7	157.9	0	0	0	0	0	109.8
241	H	29.4	Very low	39.3	Very low	185 Å²	185	114 Å²	114	86%	0.856	66%	0.661	S	S	*	*			trans	88.4	107.1	-176.3	-60.2	-80.7	0	0	0	116.3
242	S	26.7	Very low	36.8	Very low	105 Å²	105	121 Å²	121	73%	0.734	70%	0.697	S	S	*	*				169	106.7	124.4	-74	0	0	0	0	107.9
243	E	25.5	Very low	34.3	Very low	168 Å²	168	125.1 Å²	125.1	79%	0.785	72%	0.715	S	S	*	*				81.3	116.4	91.1	-77.8	-172.9	175.7	0	0	113.5	F245	E243-F245 PolarHBondContact O-N 3.21Å
244	V	29.7	Very low	31.9	Very low	136 Å²	136	131.3 Å²	131.3	82%	0.824	74%	0.739	S	S	*	*			trans	-45.7	124.4	161.5	175.6	0	0	0	0	110.5
245	F	25.4	Very low	30.4	Very low	194 Å²	194	135.9 Å²	135.9	85%	0.851	76%	0.764	S	S	*	*			trans	-142.8	106.4	149.4	-96.4	-78.6	0	0	0	110.1	E243	E243-F245 PolarHBondContact O-N 3.21Å
246	G	27.4	Very low	29.2	Very low	68 Å²	68	141.4 Å²	141.4	70%	0.701	77%	0.77	S	S	*	*			trans	-73.8	149.2	148.5	0	0	0	0	0	109.8
247	G	24.8	Very low	28.2	Very low	78 Å²	78	143.3 Å²	143.3	80%	0.804	77%	0.771	S	S	*	*			trans	-171.9	111.7	173.1	0	0	0	0	0	109.9
248	E	29.6	Very low	27.2	Very low	187 Å²	187	148.1 Å²	148.1	87%	0.874	79%	0.785	S	S	*	*			trans	-69.1	157.9	177.3	-65	173.9	134.4	0	0	113.1
249	D	28.8	Very low	26.6	Very low	140 Å²	140	147.3 Å²	147.3	75%	0.749	79%	0.789	S	S	*	*			trans	57	117.3	157.4	-76.7	-17.7	0	0	0	120.7
250	D	25.7	Very low	26.3	Very low	136 Å²	136	146.4 Å²	146.4	73%	0.727	79%	0.789	S	S	*	*				-170.8	133.6	92.5	-114.5	-20.9	0	0	0	113.8
251	H	26	Very low	25.8	Very low	157 Å²	157	154.5 Å²	154.5	73%	0.727	80%	0.801	S	S	*	*			trans	5.7	124.3	152.5	-64.5	-59.3	0	0	0	120.8
252	L	25.7	Very low	25.4	Very low	158 Å²	158	155.2 Å²	155.2	83%	0.827	80%	0.804	S	S	*	*			trans	-149.2	103.1	134.8	-102.9	156.7	0	0	0	110.9	F254	L252-F254 HydrophobicContact CD2-CE2 4.26Å
253	Q	25.8	Very low	25.3	Very low	163 Å²	163	155.5 Å²	155.5	76%	0.762	81%	0.806	S	S	*	*			trans	-62.2	132.4	166.1	-73.2	178.5	-9	0	0	110.5
254	F	23.7	Very low	25.2	Very low	190 Å²	190	151.5 Å²	151.5	83%	0.833	80%	0.802	S	S	*	*			trans	-130.1	98.3	148.7	-91.7	-80.7	0	0	0	111	L252 Q256	L252-F254 HydrophobicContact CD2-CE2 4.26Å; F254-Q256 PolarHBondContact O-N 3.12Å
255	V	24	Very low	25	Very low	112 Å²	112	153.7 Å²	153.7	68%	0.679	80%	0.804	S	S	*	*			trans	-66.1	110.8	163.2	174.1	0	0	0	0	108.4
256	Q	25.4	Very low	24.9	Very low	190 Å²	190	155.5 Å²	155.5	89%	0.888	81%	0.805	S	S	*	*			trans	-91.5	111.5	159.2	-89.2	-169.8	-4.8	0	0	110.3	F254	F254-Q256 PolarHBondContact O-N 3.12Å
257	K	22.9	Very low	24.6	Very low	190 Å²	190	159.8 Å²	159.8	83%	0.826	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-54.8	130.1	175.9	-72.6	173	173.6	174.3	0	111.7
258	K	23.6	Very low	24.4	Very low	192 Å²	192	163.8 Å²	163.8	84%	0.835	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-61.7	142.6	154.3	-75.9	176.6	175.4	172.4	0	110.1
259	P	23.9	Very low	24	Very low	128 Å²	128	159.7 Å²	159.7	83%	0.831	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-78.7	144.7	156.1	-4.7	22.9	0	0	0	110.6
260	V	22.8	Very low	23.6	Very low	137 Å²	137	158.5 Å²	158.5	83%	0.83	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-77.3	143	-170.5	167.5	0	0	0	0	111.7
261	R	24.8	Very low	23.4	Very low	231 Å²	231	156.9 Å²	156.9	87%	0.872	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-69.5	139.9	165.2	-82.8	176	167.6	170.3	-3.6	110.5
262	E	22	Very low	23.3	Very low	199 Å²	199	154.5 Å²	154.5	93%	0.93	80%	0.798	S	S	*	*			trans	-114.3	122.2	146	-82.3	-173.9	159.5	0	0	109.8
263	S	22.8	Very low	23.2	Very low	111 Å²	111	152.5 Å²	152.5	78%	0.776	80%	0.797	S	S	*	*			trans	-108.8	154.4	165.3	56.8	0	0	0	0	106.8
264	A	25	Very low	23.1	Very low	85 Å²	85	148.6 Å²	148.6	70%	0.702	80%	0.801	S	S	*	*			cis	-164.2	162.4	26.2	0	0	0	0	0	106.9
265	Q	24	Very low	23	Very low	182 Å²	182	145.3 Å²	145.3	85%	0.85	80%	0.801	S	S	*	*				-178.7	123.5	87	-88.1	178.1	-15	0	0	108.7
266	R	24.1	Very low	23	Very low	231 Å²	231	147.9 Å²	147.9	87%	0.872	81%	0.81	S	S	*	*				55.8	107	109.3	-94	-172.9	-178.1	-170.4	1.7	117.6
267	Q	21.8	Very low	22.9	Very low	158 Å²	158	144.1 Å²	144.1	74%	0.738	81%	0.805	S	S	*	*				152.5	132.9	108.3	-94.6	179.1	-16.7	0	0	114.2
268	Q	20.4	Very low	23.2	Very low	162 Å²	162	140.7 Å²	140.7	76%	0.757	80%	0.802	S	S	*	*			trans	66.2	120.7	140.2	-75.1	176.3	-34.4	0	0	124
269	S	20.8	Very low	23.2	Very low	101 Å²	101	136.3 Å²	136.3	71%	0.706	80%	0.796	S	S	*	*			trans	63.5	132.4	130.5	66.7	0	0	0	0	123.9
270	C	20.1	Very low	23.3	Very low	115 Å²	115	138 Å²	138	78%	0.777	80%	0.798	S	S	*	*			trans	76.4	122.7	140.4	-71.6	0	0	0	0	122
271	S	21.6	Very low	23.6	Very low	102 Å²	102	141 Å²	141	71%	0.713	80%	0.803	S	S	*	*			trans	56.5	125.7	135.7	61.5	0	0	0	0	122.7
272	S	25	Very low	23.6	Very low	108 Å²	108	134.6 Å²	134.6	76%	0.755	80%	0.799	S	S	*	*			trans	69.9	144.4	136.6	60.2	0	0	0	0	122.2
273	S	23.4	Very low	23.9	Very low	115 Å²	115	129.6 Å²	129.6	80%	0.804	79%	0.792	S	S	*	*			trans	74.7	104.4	155.4	52.6	0	0	0	0	120
274	G	23	Very low	24	Very low	81 Å²	81	131.5 Å²	131.5	84%	0.835	79%	0.794	S	S	*	*				71.9	114.1	112.1	0	0	0	0	0	119.1
275	S	21.8	Very low	24.2	Very low	122 Å²	122	133.1 Å²	133.1	85%	0.853	79%	0.794	S	S	*	*			trans	175.6	126.2	134	177.3	0	0	0	0	110.5
276	L	23.8	Very low	24.3	Very low	165 Å²	165	132.6 Å²	132.6	86%	0.864	79%	0.792	S	S	*	*			trans	-94.9	138.1	170.8	-86.7	154.3	0	0	0	109.5
277	S	24	Very low	24.4	Very low	112 Å²	112	130.4 Å²	130.4	78%	0.783	79%	0.789	S	S	*	*			trans	-153.2	154.7	145.5	-51	0	0	0	0	110.5
278	P	28.7	Very low	24.8	Very low	117 Å²	117	127.8 Å²	127.8	76%	0.76	79%	0.785	S	S	*	*			trans	-114.7	175.2	-142.9	40.3	-30.8	0	0	0	116
279	S	24.2	Very low	25.4	Very low	101 Å²	101	126.8 Å²	126.8	71%	0.706	79%	0.791	S	S	*	*			trans	74	108.5	156.6	58.5	0	0	0	0	119.4
280	N	24.9	Very low	26.2	Very low	164 Å²	164	127.4 Å²	127.4	88%	0.877	79%	0.79	S	S	*	*				-160.8	129.1	105.9	-100.4	-19.8	0	0	0	112.1
281	Q	29.4	Very low	27.6	Very low	199 Å²	199	133.2 Å²	133.2	93%	0.93	80%	0.796	S	S	*	*			trans	-64.7	127.8	172.7	-70.6	167.5	-20.2	0	0	110.1
282	A	25.2	Very low	29.8	Very low	96 Å²	96	135.3 Å²	135.3	79%	0.793	79%	0.788	S	S	*	*			trans	-140.1	116.2	148.8	0	0	0	0	0	106.6	N284	A282-N284 PolarHBondContact O-N 3.3Å
283	A	28.2	Very low	32.3	Very low	95 Å²	95	134 Å²	134	79%	0.785	77%	0.773	S	S	*	*			trans	-53.7	109.1	-178.8	0	0	0	0	0	110.6	V285	A283-V285 VanDerWaalsContact C-N 3.26Å; A283-V285 PolarHBondContact O-N 3.5Å; A283-V285 VanDerWaalsContact O-N 3.09Å
284	N	24.8	Very low	35.3	Very low	151 Å²	151	130.6 Å²	130.6	81%	0.807	74%	0.742	S	S	*	*			trans	-80.7	86.2	164	-153	9.4	0	0	0	106.4	A282 Q286	A282-N284 PolarHBondContact O-N 3.3Å; N284-Q286 VanDerWaalsContact C-N 3.25Å; N284-Q286 PolarHBondContact O-N 3.3Å
285	V	28.2	Very low	38.5	Very low	118 Å²	118	131.3 Å²	131.3	72%	0.715	72%	0.722	S	S	*	*			trans	-60.3	97.1	165.5	177	0	0	0	0	105.9	A283 K287	A283-V285 VanDerWaalsContact C-N 3.26Å; A283-V285 PolarHBondContact O-N 3.5Å; A283-V285 VanDerWaalsContact O-N 3.09Å; V285-K287 VanDerWaalsContact C-N 3.32Å; V285-K287 PolarHBondContact O-N 3.4Å
286	Q	28	Very low	41.7	Very low	171 Å²	171	129.6 Å²	129.6	80%	0.799	70%	0.698	S	S	*	*			trans	-57.3	102.1	162.2	-82.3	175.1	-26.6	0	0	106.3	N284 P288	N284-Q286 VanDerWaalsContact C-N 3.25Å; N284-Q286 PolarHBondContact O-N 3.3Å; Q286-P288 WeakPolarHBondContact O-CD 3.46Å; Q286-P288 VanDerWaalsContact O-N 3.16Å
287	K	25	Very low	44.8	Very low	186 Å²	186	122 Å²	122	81%	0.809	66%	0.658	S	S	*	*			trans	-56.3	119.1	159.8	-90.1	-176.7	174.6	-178.6	0	105.8	V285 T289	V285-K287 VanDerWaalsContact C-N 3.32Å; V285-K287 PolarHBondContact O-N 3.4Å; K287-T289 PolarHBondContact O-N 3.49Å
288	P	30.9	Very low	48	Very low	102 Å²	102	116.7 Å²	116.7	66%	0.662	62%	0.621	S	S	*	*			trans	-65.1	115.4	171.5	27.4	-29.2	0	0	0	105.6	Q286 T290	Q286-P288 WeakPolarHBondContact O-CD 3.46Å; Q286-P288 VanDerWaalsContact O-N 3.16Å; P288-T290 HydrophobicContact CB-CG2 4.4Å; P288-T290 PolarHBondContact O-N 2.93Å
289	T	31.6	Very low	51	Low	141 Å²	141	112.6 Å²	112.6	87%	0.865	60%	0.595	S	S	*	*			trans	-69.2	80	161.2	48.7	0	0	0	0	106.1	K287 R291	K287-T289 PolarHBondContact O-N 3.49Å; T289-R291 PolarHBondContact O-N 2.84Å; T289-R291 VanDerWaalsContact O-N 3.09Å
290	T	39.3	Very low	54	Low	114 Å²	114	111.6 Å²	111.6	70%	0.699	58%	0.579	S	S	*	*			trans	-60	112.4	169.3	36.3	0	0	0	0	106.6	P288 R292	P288-T290 HydrophobicContact CB-CG2 4.4Å; P288-T290 PolarHBondContact O-N 2.93Å; T290-R292 PolarHBondContact O-N 3.26Å
291	R	49.3	Very low	56.9	Low	238 Å²	238	107.3 Å²	107.3	90%	0.898	55%	0.553	S	S	*	*			trans	-56.5	114	168	-166.3	179.8	-169.2	-177.6	2.2	106.1	T289 D293	T289-R291 PolarHBondContact O-N 2.84Å; T289-R291 VanDerWaalsContact O-N 3.09Å; R291-D293 PolarHBondContact O-N 3.13Å
292	R	66.6	Low	59.3	Low	146 Å²	146	100.8 Å²	100.8	55%	0.551	53%	0.527	S	S	*	.			trans	-60.1	109.3	178.1	-66.3	179.8	175.7	-133.3	14.4	107.9	T290 D314	T290-R292 PolarHBondContact O-N 3.26Å; R292-D314 VanDerWaalsContact CB-OD1 3.24Å; R292-D314 WeakPolarHBondContact CB-OD1 3.35Å; R292-D314 WeakPolarHBondContact CD-OD1 3.21Å; R292-D314 WeakPolarHBondContact CG-OD1 3.17Å; R292-D314 IonicContact CZ-OD1 3.48Å; R292-D314 IonicContact CZ-OD2 2.64Å; R292-D314 IonicContact NE-OD1 3.91Å; R292-D314 IonicContact NH1-OD1 3.39Å; R292-D314 PolarHBondContact NH1-OD1 3.1Å; R292-D314 IonicContact NH1-OD2 3.28Å; R292-D314 PolarHBondContact NH1-OD2 3.28Å
293	D	78.7	Confident	62	Low	80 Å²	80	99.2 Å²	99.2	43%	0.428	51%	0.507	S	S	.	.			trans	-94.3	132.4	-173.7	-165.3	17.4	0	0	0	109.9	R291 V312 D314 G315	R291-D293 PolarHBondContact O-N 3.13Å; D293-V312 HydrophobicContact CB-CG1 4.19Å; D293-V312 WeakPolarHBondContact O-CG1 3.43Å; D293-D314 PolarHBondContact O-N 3.38Å; D293-G315 PolarHBondContact O-N 2.84Å
294	W	86.5	Confident	64.3	Low	44 Å²	44	101.8 Å²	101.8	17%	0.167	51%	0.508	C	S	.	.			trans	-138.2	109.4	-172.9	-66	92.7	0	0	0	109.6	L199 V202 Q203 L206 V312 L313 D314	L199-W294 HydrophobicContact CD2-CE3 4.46Å; V202-W294 HydrophobicContact CB-CZ3 4.49Å; V202-W294 HydrophobicContact CG1-CH2 4.22Å; V202-W294 HydrophobicContact CG1-CZ3 3.96Å; Q203-W294 HydrophobicContact CG-CD2 3.82Å; Q203-W294 HydrophobicContact CG-CE3 3.73Å; Q203-W294 HydrophobicContact CG-CH2 4.01Å; Q203-W294 HydrophobicContact CG-CZ2 4.05Å; Q203-W294 HydrophobicContact CG-CZ3 3.83Å; L206-W294 HydrophobicContact CD1-CH2 3.54Å; L206-W294 HydrophobicContact CD1-CZ2 4.18Å; W294-V312 WeakPolarHBondContact CA-O 3.48Å; W294-L313 HydrophobicContact CE3-CD2 4.28Å; W294-L313 HydrophobicContact CZ3-CB 4.07Å; W294-L313 HydrophobicContact CZ3-CD2 4.06Å; W294-D314 HydrophobicContact CH2-CB 3.76Å; W294-D314 HydrophobicContact CZ2-CB 3.48Å; W294-D314 VanDerWaalsContact CZ2-CB 3.48Å
295	K	88.7	Confident	67	Low	95 Å²	95	96.6 Å²	96.6	41%	0.413	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	138	-176	176.7	-177.8	172.7	-158.4	0	110.5	D154 A311 V312	D154-K295 IonicContact OD2-NZ 3.13Å; D154-K295 PolarHBondContact OD2-NZ 2.76Å; K295-A311 CarbonylContact O-C 3.5Å; K295-A311 WeakPolarHBondContact O-CA 3.4Å; K295-V312 PolarHBondContact N-O 3.44Å; K295-V312 PolarHBondContact O-N 3.2Å
296	Y	89	Confident	69.7	Low	86 Å²	86	92.6 Å²	92.6	34%	0.337	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	139.1	162.7	81.7	-88.7	0	0	0	109.9	L199	L199-Y296 HydrophobicContact CD1-CD1 4.39Å
297	I	90.8	Very high	72.6	Confident	5 Å²	5	84.7 Å²	84.7	3%	0.026	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-50.8	-174.1	-62.3	147.1	0	0	0	109.9	R138 D154 I157 L310 V312 L317	R138-I297 VanDerWaalsContact NE-CD1 3.33Å; D154-I297 HydrophobicContact CB-CG2 4.03Å; I157-I297 HydrophobicContact CG2-CG2 4.35Å; I297-L310 HydrophobicContact CB-CD2 4.47Å; I297-L310 WeakPolarHBondContact CB-O 3.32Å; I297-L310 HydrophobicContact CD1-CD2 4.03Å; I297-L310 HydrophobicContact CD1-CG 3.88Å; I297-L310 HydrophobicContact CG2-CD2 4.4Å; I297-L310 PolarHBondContact N-O 3.41Å; I297-V312 HydrophobicContact CD1-CG2 3.98Å; I297-L317 HydrophobicContact CD1-CD1 3.4Å; I297-L317 VanDerWaalsContact CD1-CD1 3.4Å
298	A	90.9	Very high	75.7	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.008	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	149.3	-175	0	0	0	0	0	109	I157 Q158 L161 C309 L310	I157-A298 HydrophobicContact CG2-CB 4.12Å; Q158-A298 HydrophobicContact CB-CB 4.28Å; L161-A298 HydrophobicContact CB-CB 4.15Å; L161-A298 HydrophobicContact CD1-CB 3.96Å; L161-A298 HydrophobicContact CD2-CB 3.74Å; L161-A298 HydrophobicContact CG-CB 4.16Å; A298-C309 CarbonylContact O-C 3.47Å; A298-C309 VanDerWaalsContact O-CA 3.27Å; A298-C309 WeakPolarHBondContact O-CA 3.48Å; A298-C309 PolarHBondContact O-SG 3.05Å; A298-L310 PolarHBondContact N-O 3.49Å; A298-L310 PolarHBondContact O-N 3.18Å
299	S	90.8	Very high	78.6	Confident	32 Å²	32	71.8 Å²	71.8	22%	0.224	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	140.8	177.3	58.4	0	0	0	0	111.6	L308	S299-L308 CarbonylContact C-O 3.57Å; S299-L308 VanDerWaalsContact CA-O 3.26Å; S299-L308 WeakPolarHBondContact CA-O 3.39Å
300	E	87.3	Confident	81.6	Confident	79 Å²	79	65.1 Å²	65.1	37%	0.369	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	140.3	178.6	-165.3	62.8	-140.6	0	0	110.3	L161 L162 L308	L161-E300 HydrophobicContact CD2-CB 3.86Å; L162-E300 HydrophobicContact CD1-CG 4.29Å; L162-E300 HydrophobicContact CD2-CB 4.41Å; L162-E300 HydrophobicContact CD2-CG 3.72Å; L162-E300 HydrophobicContact CG-CG 3.93Å; E300-L308 PolarHBondContact N-O 2.85Å; E300-L308 PolarHBondContact O-N 3.1Å
301	K	86.1	Confident	84.2	Confident	74 Å²	74	59.7 Å²	59.7	32%	0.322	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	104	170.2	-179.9	174.9	179.7	164.7	0	108.4	T303 N304 Y307	K301-T303 WeakPolarHBondContact CE-O 3.31Å; K301-T303 WeakPolarHBondContact CG-O 3.3Å; K301-N304 VanDerWaalsContact CE-O 3.24Å; K301-N304 WeakPolarHBondContact CE-O 3.46Å; K301-N304 PolarHBondContact NZ-O 2.82Å; K301-N304 VanDerWaalsContact NZ-O 3.14Å; K301-Y307 HydrophobicContact CB-CD1 4.17Å; K301-Y307 HydrophobicContact CB-CE1 4.11Å; K301-Y307 HydrophobicContact CD-CD1 4.48Å; K301-Y307 HydrophobicContact CD-CE1 3.65Å; K301-Y307 VanDerWaalsContact CE-OH 3.31Å; K301-Y307 WeakPolarHBondContact CE-OH 3.24Å; K301-Y307 HydrophobicContact CG-CD1 4.12Å; K301-Y307 HydrophobicContact CG-CE1 3.76Å; K301-Y307 PolarHBondContact NZ-OH 3.02Å
302	T	80.8	Confident	86.2	Confident	62 Å²	62	48.6 Å²	48.6	38%	0.38	24%	0.239	S	C	.	.			trans	-80.3	-32	-173.7	57.8	0	0	0	0	112.9	L162 N306 L308	L162-T302 HydrophobicContact CD2-CG2 4.47Å; T302-N306 PolarHBondContact N-O 2.84Å; T302-N306 WeakPolarHBondContact OG1-CB 3.42Å; T302-N306 PolarHBondContact OG1-O 2.86Å; T302-L308 HydrophobicContact CG2-CB 4.05Å
303	T	81.3	Confident	87.4	Confident	63 Å²	63	41.6 Å²	41.6	39%	0.387	21%	0.213	S	C	.	.	S	Bend	trans	-142.5	-179.6	172.9	74.5	0	0	0	0	110.3	K301 S305 N306	K301-T303 WeakPolarHBondContact CE-O 3.31Å; K301-T303 WeakPolarHBondContact CG-O 3.3Å; T303-S305 PolarHBondContact O-N 3.21Å; T303-S305 VanDerWaalsContact O-N 3.1Å; T303-S305 PolarHBondContact OG1-N 2.86Å; T303-N306 HydrophobicContact CG2-CB 4.35Å; T303-N306 PolarHBondContact N-O 2.81Å; T303-N306 VanDerWaalsContact OG1-CB 3.24Å; T303-N306 WeakPolarHBondContact OG1-CB 3.36Å; T303-N306 VanDerWaalsContact OG1-CG 3.3Å; T303-N306 PolarHBondContact OG1-N 2.89Å; T303-N306 PolarHBondContact OG1-ND2 2.72Å
304	N	75.4	Confident	87.8	Confident	150 Å²	150	40.2 Å²	40.2	80%	0.802	21%	0.206	S	C	*	.	S	Bend	trans	-55.9	-29	177	-76.2	-13.1	0	0	0	113.9	K301	K301-N304 VanDerWaalsContact CE-O 3.24Å; K301-N304 WeakPolarHBondContact CE-O 3.46Å; K301-N304 PolarHBondContact NZ-O 2.82Å; K301-N304 VanDerWaalsContact NZ-O 3.14Å
305	S	81.1	Confident	87.8	Confident	41 Å²	41	40.4 Å²	40.4	29%	0.287	22%	0.222	S	C	.	.	S	Bend	trans	-119.5	-9.5	-177.3	48.9	0	0	0	0	114.7	T303 H323 G324	T303-S305 PolarHBondContact O-N 3.21Å; T303-S305 VanDerWaalsContact O-N 3.1Å; T303-S305 PolarHBondContact OG1-N 2.86Å; S305-H323 CarbonylContact O-C 3.51Å; S305-H323 WeakPolarHBondContact O-CA 3.4Å; S305-G324 VanDerWaalsContact CB-O 3.25Å; S305-G324 WeakPolarHBondContact CB-O 3.44Å; S305-G324 PolarHBondContact O-N 2.88Å
306	N	86.1	Confident	87.8	Confident	35 Å²	35	38.8 Å²	38.8	19%	0.187	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.7	-179	-64.7	-38.9	0	0	0	112.1	T302 T303 F321 H323	T302-N306 PolarHBondContact N-O 2.84Å; T302-N306 WeakPolarHBondContact OG1-CB 3.42Å; T302-N306 PolarHBondContact OG1-O 2.86Å; T303-N306 HydrophobicContact CG2-CB 4.35Å; T303-N306 PolarHBondContact N-O 2.81Å; T303-N306 VanDerWaalsContact OG1-CB 3.24Å; T303-N306 WeakPolarHBondContact OG1-CB 3.36Å; T303-N306 VanDerWaalsContact OG1-CG 3.3Å; T303-N306 PolarHBondContact OG1-N 2.89Å; T303-N306 PolarHBondContact OG1-ND2 2.72Å; N306-F321 HydrophobicContact CB-CE2 4.43Å; N306-F321 HydrophobicContact CB-CZ 4.3Å; N306-H323 PolarHBondContact OD1-ND1 3.4Å
307	Y	89.3	Confident	88.1	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129	-176.9	-65.7	-92.3	0	0	0	108.6	L188 L194 Y195 K301 L322	L188-Y307 HydrophobicContact CB-CE1 4.36Å; L188-Y307 HydrophobicContact CB-CE2 3.81Å; L188-Y307 HydrophobicContact CD1-CD2 4.06Å; L188-Y307 HydrophobicContact CD1-CE2 3.74Å; L188-Y307 HydrophobicContact CG-CE2 4.41Å; L188-Y307 PolarHBondContact O-OH 3.25Å; L188-Y307 VanDerWaalsContact O-OH 3.05Å; L194-Y307 HydrophobicContact CD2-CD1 3.81Å; L194-Y307 HydrophobicContact CD2-CD2 4.41Å; L194-Y307 HydrophobicContact CD2-CE1 4.27Å; L194-Y307 HydrophobicContact CD2-CG 3.91Å; Y195-Y307 WeakPolarHBondContact OH-CB 3.49Å; K301-Y307 HydrophobicContact CB-CD1 4.17Å; K301-Y307 HydrophobicContact CB-CE1 4.11Å; K301-Y307 HydrophobicContact CD-CD1 4.48Å; K301-Y307 HydrophobicContact CD-CE1 3.65Å; K301-Y307 VanDerWaalsContact CE-OH 3.31Å; K301-Y307 WeakPolarHBondContact CE-OH 3.24Å; K301-Y307 HydrophobicContact CG-CD1 4.12Å; K301-Y307 HydrophobicContact CG-CE1 3.76Å; K301-Y307 PolarHBondContact NZ-OH 3.02Å; Y307-L322 HydrophobicContact CD2-CD2 4.27Å; Y307-L322 PolarHBondContact N-O 3.38Å; Y307-L322 PolarHBondContact O-N 3.02Å
308	L	90	Very high	88.2	Confident	18 Å²	18	35.2 Å²	35.2	9%	0.094	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.6	-179	-179.5	69.3	0	0	0	109.5	F170 Y195 S299 E300 T302 V319 F321	F170-L308 HydrophobicContact CE1-CD1 4.43Å; F170-L308 HydrophobicContact CE1-CD2 4.43Å; F170-L308 HydrophobicContact CZ-CD1 4.38Å; F170-L308 HydrophobicContact CZ-CD2 4.24Å; F170-L308 HydrophobicContact CZ-CG 4.49Å; Y195-L308 PolarHBondContact OH-N 3.12Å; Y195-L308 PolarHBondContact OH-O 3.06Å; S299-L308 CarbonylContact C-O 3.57Å; S299-L308 VanDerWaalsContact CA-O 3.26Å; S299-L308 WeakPolarHBondContact CA-O 3.39Å; E300-L308 PolarHBondContact N-O 2.85Å; E300-L308 PolarHBondContact O-N 3.1Å; T302-L308 HydrophobicContact CG2-CB 4.05Å; L308-V319 HydrophobicContact CD1-CG1 3.5Å; L308-V319 VanDerWaalsContact CD1-CG1 3.5Å; L308-F321 HydrophobicContact CD1-CD2 4.47Å
309	C	91.9	Very high	88.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	141.3	174.1	168.3	0	0	0	0	111.9	Y195 A298 V319 I320	Y195-C309 HydrophobicContact CD1-CB 3.2Å; Y195-C309 HydrophobicContact CD2-CB 4.29Å; Y195-C309 HydrophobicContact CE1-CB 3.05Å; Y195-C309 HydrophobicContact CE2-CB 4.21Å; Y195-C309 HydrophobicContact CG-CB 3.81Å; A298-C309 CarbonylContact O-C 3.47Å; A298-C309 VanDerWaalsContact O-CA 3.27Å; A298-C309 WeakPolarHBondContact O-CA 3.48Å; A298-C309 PolarHBondContact O-SG 3.05Å; C309-V319 CarbonylContact O-C 3.59Å; C309-V319 WeakPolarHBondContact O-CA 3.4Å; C309-I320 HydrophobicContact CB-CB 4.23Å; C309-I320 PolarHBondContact N-O 3.1Å; C309-I320 PolarHBondContact O-N 3.08Å
310	L	93.9	Very high	88.4	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.3	166.1	-173.9	68.9	0	0	0	108.7	I135 I157 L161 F170 L173 I297 A298 L317 V319	I135-L310 HydrophobicContact CD1-CD2 3.87Å; I157-L310 HydrophobicContact CG2-CD2 3.7Å; L161-L310 HydrophobicContact CD1-CB 4.37Å; F170-L310 HydrophobicContact CD2-CD1 4.23Å; F170-L310 HydrophobicContact CE2-CB 4.13Å; F170-L310 HydrophobicContact CE2-CD1 3.77Å; F170-L310 HydrophobicContact CE2-CD2 4.36Å; F170-L310 HydrophobicContact CE2-CG 4.3Å; F170-L310 HydrophobicContact CZ-CD1 4.5Å; L173-L310 HydrophobicContact CD1-CD1 3.43Å; L173-L310 VanDerWaalsContact CD1-CD1 3.43Å; I297-L310 HydrophobicContact CB-CD2 4.47Å; I297-L310 WeakPolarHBondContact CB-O 3.32Å; I297-L310 HydrophobicContact CD1-CD2 4.03Å; I297-L310 HydrophobicContact CD1-CG 3.88Å; I297-L310 HydrophobicContact CG2-CD2 4.4Å; I297-L310 PolarHBondContact N-O 3.41Å; A298-L310 PolarHBondContact N-O 3.49Å; A298-L310 PolarHBondContact O-N 3.18Å; L310-L317 HydrophobicContact CD1-CD1 3.71Å; L310-L317 HydrophobicContact CD1-CG 4.07Å; L310-L317 HydrophobicContact CD2-CD1 4.19Å; L310-L317 HydrophobicContact CG-CD1 3.82Å; L310-V319 HydrophobicContact CD1-CG2 4.09Å
311	A	93.6	Very high	88.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	161.5	-176.9	0	0	0	0	0	112.3	L199 K295 L313 S318 I320	L199-A311 HydrophobicContact CD2-CB 4.35Å; K295-A311 CarbonylContact O-C 3.5Å; K295-A311 WeakPolarHBondContact O-CA 3.4Å; A311-L313 HydrophobicContact CB-CD2 4.33Å; A311-S318 PolarHBondContact N-O 3.27Å; A311-S318 PolarHBondContact O-N 3.36Å; A311-I320 HydrophobicContact CB-CD1 3.81Å; A311-I320 HydrophobicContact CB-CG1 4.35Å
312	V	92.6	Very high	88.8	Confident	5 Å²	5	29.9 Å²	29.9	3%	0.03	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.5	165.9	-173.1	0	0	0	0	107.4	D293 W294 K295 I297 G315 V316 L317	D293-V312 HydrophobicContact CB-CG1 4.19Å; D293-V312 WeakPolarHBondContact O-CG1 3.43Å; W294-V312 WeakPolarHBondContact CA-O 3.48Å; K295-V312 PolarHBondContact N-O 3.44Å; K295-V312 PolarHBondContact O-N 3.2Å; I297-V312 HydrophobicContact CD1-CG2 3.98Å; V312-G315 VanDerWaalsContact CG1-CA 3.47Å; V312-V316 WeakPolarHBondContact CA-O 3.39Å; V312-L317 HydrophobicContact CG2-CD1 4.4Å
313	L	91	Very high	89.1	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	114.1	178.2	-56.6	-178.1	0	0	0	108.2	L176 L199 L213 W294 A311 G315 V316 I320	L176-L313 HydrophobicContact CD2-CD1 4.33Å; L199-L313 HydrophobicContact CD2-CD2 3.22Å; L213-L313 HydrophobicContact CD1-CB 4.19Å; L213-L313 HydrophobicContact CD1-CD1 4.1Å; L213-L313 HydrophobicContact CD2-CB 3.82Å; W294-L313 HydrophobicContact CE3-CD2 4.28Å; W294-L313 HydrophobicContact CZ3-CB 4.07Å; W294-L313 HydrophobicContact CZ3-CD2 4.06Å; A311-L313 HydrophobicContact CB-CD2 4.33Å; L313-G315 PolarHBondContact O-N 3.48Å; L313-V316 PolarHBondContact N-O 2.72Å; L313-V316 WeakPolarHBondContact O-CA 3.44Å; L313-V316 VanDerWaalsContact O-CB 3.32Å; L313-V316 WeakPolarHBondContact O-CB 3.11Å; L313-V316 PolarHBondContact O-N 3.36Å; L313-I320 HydrophobicContact CD1-CG1 4.46Å; L313-I320 HydrophobicContact CD2-CD1 4.32Å
314	D	87.4	Confident	89.3	Confident	50 Å²	50	26.4 Å²	26.4	27%	0.267	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	38.3	-175.3	-150	24.6	0	0	0	114.2	R292 D293 W294 V316	R292-D314 VanDerWaalsContact CB-OD1 3.24Å; R292-D314 WeakPolarHBondContact CB-OD1 3.35Å; R292-D314 WeakPolarHBondContact CD-OD1 3.21Å; R292-D314 WeakPolarHBondContact CG-OD1 3.17Å; R292-D314 IonicContact CZ-OD1 3.48Å; R292-D314 IonicContact CZ-OD2 2.64Å; R292-D314 IonicContact NE-OD1 3.91Å; R292-D314 IonicContact NH1-OD1 3.39Å; R292-D314 PolarHBondContact NH1-OD1 3.1Å; R292-D314 IonicContact NH1-OD2 3.28Å; R292-D314 PolarHBondContact NH1-OD2 3.28Å; D293-D314 PolarHBondContact O-N 3.38Å; W294-D314 HydrophobicContact CH2-CB 3.76Å; W294-D314 HydrophobicContact CZ2-CB 3.48Å; W294-D314 VanDerWaalsContact CZ2-CB 3.48Å; D314-V316 VanDerWaalsContact C-N 3.3Å; D314-V316 PolarHBondContact O-N 3.28Å
315	G	85.8	Confident	89.6	Confident	49 Å²	49	25.2 Å²	25.2	51%	0.505	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-4	-174.5	0	0	0	0	0	115.7	D293 V312 L313	D293-G315 PolarHBondContact O-N 2.84Å; V312-G315 VanDerWaalsContact CG1-CA 3.47Å; L313-G315 PolarHBondContact O-N 3.48Å
316	V	89.4	Confident	89.2	Confident	61 Å²	61	28.6 Å²	28.6	37%	0.37	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.1	178.9	-173.5	0	0	0	0	110.6	P174 L213 V312 L313 D314 S318	P174-V316 HydrophobicContact CG-CG1 4.19Å; L213-V316 HydrophobicContact CD2-CB 4.35Å; L213-V316 HydrophobicContact CD2-CG2 4.42Å; V312-V316 WeakPolarHBondContact CA-O 3.39Å; L313-V316 PolarHBondContact N-O 2.72Å; L313-V316 WeakPolarHBondContact O-CA 3.44Å; L313-V316 VanDerWaalsContact O-CB 3.32Å; L313-V316 WeakPolarHBondContact O-CB 3.11Å; L313-V316 PolarHBondContact O-N 3.36Å; D314-V316 VanDerWaalsContact C-N 3.3Å; D314-V316 PolarHBondContact O-N 3.28Å; V316-S318 PolarHBondContact O-N 2.81Å; V316-S318 PolarHBondContact O-OG 3.2Å
317	L	93.8	Very high	87.9	Confident	16 Å²	16	30 Å²	30	8%	0.084	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	116	172.1	-175.3	62.3	0	0	0	109.7	I135 N139 L173 I297 L310 V312	I135-L317 HydrophobicContact CG2-CD2 4.02Å; N139-L317 WeakPolarHBondContact OD1-CD2 3.09Å; L173-L317 HydrophobicContact CD1-CD2 4.19Å; L173-L317 HydrophobicContact CD1-CG 4.1Å; L173-L317 HydrophobicContact CD2-CB 4.4Å; L173-L317 HydrophobicContact CD2-CD2 4.01Å; L173-L317 HydrophobicContact CD2-CG 4.06Å; I297-L317 HydrophobicContact CD1-CD1 3.4Å; I297-L317 VanDerWaalsContact CD1-CD1 3.4Å; L310-L317 HydrophobicContact CD1-CD1 3.71Å; L310-L317 HydrophobicContact CD1-CG 4.07Å; L310-L317 HydrophobicContact CD2-CD1 4.19Å; L310-L317 HydrophobicContact CG-CD1 3.82Å; V312-L317 HydrophobicContact CG2-CD1 4.4Å
318	S	93.9	Very high	85.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155	-168.5	-55.6	0	0	0	0	111	P174 A311 V316	P174-S318 CarbonylContact O-C 3.54Å; P174-S318 WeakPolarHBondContact O-CA 3.27Å; A311-S318 PolarHBondContact N-O 3.27Å; A311-S318 PolarHBondContact O-N 3.36Å; V316-S318 PolarHBondContact O-N 2.81Å; V316-S318 PolarHBondContact O-OG 3.2Å
319	V	93.8	Very high	83.5	Confident	1 Å²	1	41 Å²	41	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.6	174.8	176.3	0	0	0	0	109.1	F170 L173 P174 R175 L176 L308 C309 L310	F170-V319 HydrophobicContact CD1-CG2 4.19Å; F170-V319 HydrophobicContact CE1-CG1 4.06Å; F170-V319 HydrophobicContact CE1-CG2 3.62Å; F170-V319 HydrophobicContact CE2-CG2 4.13Å; F170-V319 HydrophobicContact CZ-CG1 4.12Å; F170-V319 HydrophobicContact CZ-CG2 3.59Å; L173-V319 HydrophobicContact CB-CG2 3.84Å; L173-V319 HydrophobicContact CD1-CG2 3.9Å; P174-V319 PolarHBondContact O-N 2.59Å; R175-V319 CarbonylContact C-O 3.54Å; R175-V319 VanDerWaalsContact CA-O 3.28Å; R175-V319 WeakPolarHBondContact CA-O 3.49Å; R175-V319 HydrophobicContact CG-CB 4.12Å; R175-V319 HydrophobicContact CG-CG1 4.5Å; L176-V319 PolarHBondContact N-O 2.97Å; L308-V319 HydrophobicContact CD1-CG1 3.5Å; L308-V319 VanDerWaalsContact CD1-CG1 3.5Å; C309-V319 CarbonylContact O-C 3.59Å; C309-V319 WeakPolarHBondContact O-CA 3.4Å; L310-V319 HydrophobicContact CD1-CG2 4.09Å
320	I	92.6	Very high	80.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.8	172.3	-56.3	173.2	0	0	0	107.4	L176 L178 Y195 V198 L199 C309 A311 L313	L176-I320 HydrophobicContact CD2-CG1 4.39Å; L178-I320 HydrophobicContact CD1-CG2 4.17Å; Y195-I320 HydrophobicContact CD1-CG2 4.47Å; V198-I320 HydrophobicContact CG1-CD1 4Å; V198-I320 HydrophobicContact CG1-CG2 3.91Å; L199-I320 HydrophobicContact CD2-CD1 4.46Å; C309-I320 HydrophobicContact CB-CB 4.23Å; C309-I320 PolarHBondContact N-O 3.1Å; C309-I320 PolarHBondContact O-N 3.08Å; A311-I320 HydrophobicContact CB-CD1 3.81Å; A311-I320 HydrophobicContact CB-CG1 4.35Å; L313-I320 HydrophobicContact CD1-CG1 4.46Å; L313-I320 HydrophobicContact CD2-CD1 4.32Å
321	F	90.9	Very high	77.5	Confident	73 Å²	73	52.7 Å²	52.7	32%	0.32	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.4	172.8	-176.4	-93.8	0	0	0	109.2	L176 K177 L178 N306 L308 H323	L176-F321 PolarHBondContact O-N 2.86Å; K177-F321 WeakPolarHBondContact CA-O 3.31Å; L178-F321 PolarHBondContact N-O 3.28Å; N306-F321 HydrophobicContact CB-CE2 4.43Å; N306-F321 HydrophobicContact CB-CZ 4.3Å; L308-F321 HydrophobicContact CD1-CD2 4.47Å; F321-H323 HydrophobicContact CE1-CB 4.34Å
322	L	89.5	Confident	75.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.1	-172.6	-165.5	166.5	0	0	0	110	L178 V180 L188 L194 V198 Y307	L178-L322 HydrophobicContact CB-CB 4.33Å; L178-L322 HydrophobicContact CB-CG 3.96Å; L178-L322 HydrophobicContact CD1-CD1 4.1Å; L178-L322 HydrophobicContact CD1-CG 4.4Å; L178-L322 CarbonylContact O-C 3.53Å; L178-L322 WeakPolarHBondContact O-CA 3.35Å; V180-L322 HydrophobicContact CB-CD2 3.99Å; V180-L322 HydrophobicContact CG2-CD1 4.15Å; V180-L322 HydrophobicContact CG2-CD2 3.41Å; V180-L322 VanDerWaalsContact CG2-CD2 3.41Å; V180-L322 HydrophobicContact CG2-CG 3.71Å; L188-L322 HydrophobicContact CD1-CD2 3.45Å; L188-L322 VanDerWaalsContact CD1-CD2 3.45Å; L194-L322 HydrophobicContact CD1-CD1 4.02Å; L194-L322 HydrophobicContact CD2-CD1 4Å; L194-L322 HydrophobicContact CD2-CD2 4.4Å; L194-L322 HydrophobicContact CG-CD1 3.99Å; V198-L322 HydrophobicContact CG2-CD1 3.53Å; Y307-L322 HydrophobicContact CD2-CD2 4.27Å; Y307-L322 PolarHBondContact N-O 3.38Å; Y307-L322 PolarHBondContact O-N 3.02Å
323	H	88.1	Confident	72.3	Confident	43 Å²	43	64.7 Å²	64.7	20%	0.199	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	113.3	-178.3	-175.1	68.7	0	0	0	110.9	L178 E179 V180 S305 N306 F321 R325	L178-H323 PolarHBondContact O-N 2.75Å; E179-H323 WeakPolarHBondContact CA-O 3.48Å; V180-H323 PolarHBondContact N-O 2.78Å; S305-H323 CarbonylContact O-C 3.51Å; S305-H323 WeakPolarHBondContact O-CA 3.4Å; N306-H323 PolarHBondContact OD1-ND1 3.4Å; F321-H323 HydrophobicContact CE1-CB 4.34Å; H323-R325 VanDerWaalsContact CD2-CG 3.48Å; H323-R325 WeakPolarHBondContact CD2-CG 3.07Å
324	G	84.7	Confident	69.7	Low	8 Å²	8	69.1 Å²	69.1	8%	0.082	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	129.7	176	0	0	0	0	0	112.4	V180 S305	V180-G324 CarbonylContact O-C 3.58Å; V180-G324 WeakPolarHBondContact O-CA 3.23Å; S305-G324 VanDerWaalsContact CB-O 3.25Å; S305-G324 WeakPolarHBondContact CB-O 3.44Å; S305-G324 PolarHBondContact O-N 2.88Å
325	R	82.1	Confident	66.9	Low	126 Å²	126	73 Å²	73	48%	0.475	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131	176.1	-54.6	-174.2	97.5	117	5.5	110	E179 V180 M181 L182 H323	E179-R325 IonicContact OE1-CZ 2.7Å; E179-R325 IonicContact OE1-NH1 2.64Å; E179-R325 PolarHBondContact OE1-NH1 3.17Å; E179-R325 IonicContact OE2-NH1 2.72Å; V180-R325 PolarHBondContact O-N 2.82Å; M181-R325 CarbonylContact C-O 3.54Å; M181-R325 WeakPolarHBondContact CA-O 3.18Å; L182-R325 PolarHBondContact N-O 3.03Å; H323-R325 VanDerWaalsContact CD2-CG 3.48Å; H323-R325 WeakPolarHBondContact CD2-CG 3.07Å
326	N	72.9	Confident	64.8	Low	111 Å²	111	75.8 Å²	75.8	59%	0.594	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	142.1	169.2	-64.9	-2.8	0	0	0	109.2
327	S	58	Low	61.9	Low	64 Å²	64	78.5 Å²	78.5	45%	0.448	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-54.5	131.7	174.1	-170.3	0	0	0	0	110.7	L182 Q329	L182-S327 PolarHBondContact O-N 2.95Å; L182-S327 VanDerWaalsContact O-N 3.07Å; S327-Q329 PolarHBondContact O-N 2.9Å
328	P	46.2	Very low	58.6	Low	112 Å²	112	85.2 Å²	85.2	73%	0.727	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-69.6	118.8	-178.9	24.9	-30.6	0	0	0	111.3
329	Q	42.1	Very low	56.1	Low	143 Å²	143	94 Å²	94	67%	0.668	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-73.6	134.8	161.1	-73.4	-164.4	-2.5	0	0	110.6	D184 S327	D184-Q329 PolarHBondContact OD2-NE2 3.1Å; D184-Q329 VanDerWaalsContact OD2-NE2 3.15Å; S327-Q329 PolarHBondContact O-N 2.9Å
330	T	32.7	Very low	53.1	Low	131 Å²	131	103.1 Å²	103.1	80%	0.804	59%	0.589	S	S	*	*			trans	83.6	113.5	163.9	71.1	0	0	0	0	119.1
331	S	26.6	Very low	50.1	Low	113 Å²	113	108.6 Å²	108.6	79%	0.79	63%	0.628	S	S	*	*			trans	-93.7	145.7	135.4	-66.1	0	0	0	0	108.1
332	P	42.5	Very low	47.5	Very low	124 Å²	124	113.5 Å²	113.5	81%	0.805	66%	0.656	S	S	*	*			trans	-85.6	135.9	-170.4	33.6	-31.2	0	0	0	110.7
333	T	34.5	Very low	44.7	Very low	133 Å²	133	119 Å²	119	82%	0.816	70%	0.695	S	S	*	*			trans	-142.5	91.5	163	-27.8	0	0	0	0	110.5
334	A	35.8	Very low	42.2	Very low	94 Å²	94	126.1 Å²	126.1	78%	0.777	73%	0.725	S	S	*	*			trans	-78.5	118.2	153.4	0	0	0	0	0	107.8
335	T	28.7	Very low	39.7	Very low	130 Å²	130	134.3 Å²	134.3	80%	0.798	76%	0.762	S	S	*	*			trans	158.2	135.5	145.5	-61.8	0	0	0	0	108.9
336	P	42.6	Very low	37.5	Very low	109 Å²	109	132.4 Å²	132.4	71%	0.708	77%	0.773	S	S	*	*			trans	-103.5	175.5	-158.4	39.7	-32.5	0	0	0	116.3
337	C	27.4	Very low	35.4	Very low	118 Å²	118	135.3 Å²	135.3	80%	0.797	78%	0.783	S	S	*	*			trans	86.6	138	168.8	-55.3	0	0	0	0	115.5
338	L	25.7	Very low	34.5	Very low	157 Å²	157	137.7 Å²	137.7	82%	0.822	80%	0.797	S	S	*	*			cis	-151.9	145.4	42.4	-122.7	109.5	0	0	0	112.1
339	M	41.5	Very low	34.2	Very low	185 Å²	185	141.9 Å²	141.9	91%	0.911	81%	0.806	S	S	*	*			trans	-61.6	133.5	161.8	-74.1	-174.1	169.9	0	0	111.5
340	K	30	Very low	34.2	Very low	191 Å²	191	143.3 Å²	143.3	83%	0.83	81%	0.813	S	S	*	*			trans	-141.4	97	148.4	-86.2	-175.9	176.7	176.8	0	106.6
341	S	29.8	Very low	35.1	Very low	116 Å²	116	142.3 Å²	142.3	81%	0.811	80%	0.802	S	S	*	*				75.9	103.1	93.4	-168.8	0	0	0	0	111.6
342	L	37	Very low	36.6	Very low	175 Å²	175	143.8 Å²	143.8	92%	0.916	80%	0.797	S	S	*	*			trans	-47.9	130.2	163.1	-68	150.9	0	0	0	110.6
343	S	29.8	Very low	38.1	Very low	116 Å²	116	143.5 Å²	143.5	81%	0.811	79%	0.785	S	S	*	*			trans	-121.7	118.1	151.3	56.1	0	0	0	0	108
344	F	36.1	Very low	40.3	Very low	192 Å²	192	141.5 Å²	141.5	84%	0.842	77%	0.766	S	S	*	*			trans	-72.3	113.2	176.5	-162.2	-93.5	0	0	0	108.6	A346	F344-A346 HydrophobicContact CE1-CB 4.3Å
345	E	31.4	Very low	42.8	Very low	181 Å²	181	141.5 Å²	141.5	85%	0.846	76%	0.758	S	S	*	*			trans	-124	109.7	155.6	-84.4	-174.4	163.8	0	0	106.9	Q347	E345-Q347 PolarHBondContact O-N 3.11Å
346	A	36.4	Very low	45.9	Very low	85 Å²	85	135.9 Å²	135.9	70%	0.702	72%	0.723	S	S	*	*			trans	-69	106.7	171.7	0	0	0	0	0	108	F344	F344-A346 HydrophobicContact CE1-CB 4.3Å
347	Q	29.5	Very low	48.3	Very low	173 Å²	173	132.6 Å²	132.6	81%	0.808	70%	0.702	S	S	*	*			trans	-80.4	149.4	161.1	-70.9	-167.6	-38.1	0	0	108.9	E345	E345-Q347 PolarHBondContact O-N 3.11Å
348	P	37.8	Very low	51.6	Low	114 Å²	114	130.2 Å²	130.2	74%	0.74	69%	0.686	S	S	*	*			trans	-59.4	142.3	177.8	-9.5	24.6	0	0	0	108.7	E350	P348-E350 VanDerWaalsContact C-N 3.28Å; P348-E350 PolarHBondContact O-N 3.3Å
349	E	40.3	Very low	55.1	Low	199 Å²	199	123 Å²	123	93%	0.93	65%	0.648	S	S	*	*			trans	-55.5	92.7	170	-72.6	173.8	162.8	0	0	109.1	L351	E349-L351 PolarHBondContact O-N 3.39Å
350	E	42.3	Very low	57.6	Low	173 Å²	173	119.9 Å²	119.9	81%	0.808	63%	0.631	S	S	*	*			trans	-64.4	118.5	160.2	-79.7	-177.9	162.3	0	0	105.8	P348 E352	P348-E350 VanDerWaalsContact C-N 3.28Å; P348-E350 PolarHBondContact O-N 3.3Å; E350-E352 PolarHBondContact O-N 2.72Å
351	L	51	Low	60.5	Low	111 Å²	111	114.9 Å²	114.9	58%	0.581	61%	0.607	S	S	*	*			trans	-54.5	103.7	172.1	-76.1	148	0	0	0	107.5	E349 E353	E349-L351 PolarHBondContact O-N 3.39Å; L351-E353 PolarHBondContact O-N 3.36Å
352	E	59.1	Low	63.7	Low	143 Å²	143	110.4 Å²	110.4	67%	0.668	58%	0.578	S	S	*	*			trans	-57.7	114.3	177.8	-73	-175.1	163.8	0	0	108.4	E350 H354	E350-E352 PolarHBondContact O-N 2.72Å; E352-H354 IonicContact OE2-CE1 2.76Å; E352-H354 PolarHBondContact OE2-CE1 2.78Å; E352-H354 IonicContact OE2-NE2 3.26Å
353	E	73.9	Confident	66.6	Low	118 Å²	118	102.1 Å²	102.1	55%	0.551	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.3	171.6	-69.2	-174	169	0	0	108.1	L351 C641 K643	L351-E353 PolarHBondContact O-N 3.36Å; E353-C641 HydrophobicContact CB-CB 4.25Å; E353-K643 HydrophobicContact CG-CG 4.24Å; E353-K643 WeakPolarHBondContact OE1-CE 3.37Å; E353-K643 IonicContact OE1-NZ 2.82Å
354	H	81.1	Confident	69.8	Low	92 Å²	92	96.6 Å²	96.6	43%	0.426	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.3	177.6	-60.6	-46.2	0	0	0	110.1	E352 L356 C641 T642	E352-H354 IonicContact OE2-CE1 2.76Å; E352-H354 PolarHBondContact OE2-CE1 2.78Å; E352-H354 IonicContact OE2-NE2 3.26Å; H354-L356 PolarHBondContact O-N 3.27Å; H354-C641 CarbonylContact O-C 3.57Å; H354-C641 WeakPolarHBondContact O-CA 3.4Å; H354-C641 WeakPolarHBondContact O-CB 3.44Å; H354-T642 PolarHBondContact N-O 2.68Å; H354-T642 PolarHBondContact O-N 3.3Å
355	P	88.2	Confident	72.7	Confident	93 Å²	93	87.8 Å²	87.8	60%	0.604	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.3	138.2	174.8	-23.3	33.4	0	0	0	111.3	S357 D640	P355-S357 PolarHBondContact O-N 2.9Å; P355-D640 CarbonylContact C-O 3.55Å; P355-D640 WeakPolarHBondContact CA-O 3.38Å
356	L	92.2	Very high	75.8	Confident	12 Å²	12	79.7 Å²	79.7	6%	0.063	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-55.5	135.6	173.1	-71.2	164.6	0	0	0	109.8	H354 Y393 V628 V630 D640 T642	H354-L356 PolarHBondContact O-N 3.27Å; L356-Y393 VanDerWaalsContact CD2-OH 3.24Å; L356-Y393 WeakPolarHBondContact CD2-OH 3.46Å; L356-V628 HydrophobicContact CB-CG1 3.37Å; L356-V628 HydrophobicContact CD1-CG1 3.96Å; L356-V628 HydrophobicContact CD1-CG2 4.47Å; L356-V628 HydrophobicContact CG-CG1 4.25Å; L356-V630 HydrophobicContact CD1-CG1 4.05Å; L356-V630 HydrophobicContact CD1-CG2 4.33Å; L356-D640 PolarHBondContact N-O 3.04Å; L356-T642 HydrophobicContact CD2-CG2 3.99Å
357	S	94.8	Very high	78.8	Confident	40 Å²	40	75.7 Å²	75.7	28%	0.28	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-59.1	126.1	-177.4	-72.7	0	0	0	0	111.2	P355 D398 W400	P355-S357 PolarHBondContact O-N 2.9Å; S357-D398 VanDerWaalsContact CB-O 3.23Å; S357-D398 WeakPolarHBondContact CB-O 3.44Å; S357-D398 WeakPolarHBondContact CB-OD2 3.44Å; S357-D398 PolarHBondContact N-OD1 2.9Å; S357-D398 PolarHBondContact N-OD2 2.93Å; S357-D398 PolarHBondContact OG-O 3.35Å; S357-D398 PolarHBondContact OG-OD2 3.38Å; S357-W400 VanDerWaalsContact O-CD1 3.23Å; S357-W400 PolarHBondContact O-NE1 3.48Å
358	P	96.3	Very high	82	Confident	69 Å²	69	68.4 Å²	68.4	45%	0.448	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-76.6	161.1	178.7	31.8	-35.2	0	0	0	111.4	W400	P358-W400 VanDerWaalsContact C-CD1 3.5Å
359	M	97.8	Very high	84.8	Confident	6 Å²	6	63.4 Å²	63.4	3%	0.03	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-61.2	152.6	167.9	-65.6	-179.6	-62.7	0	0	110.9	Y361 R363 A377 W400 V616 S626	M359-Y361 VanDerWaalsContact C-N 3.26Å; M359-Y361 WeakPolarHBondContact CB-O 3.27Å; M359-Y361 PolarHBondContact O-N 2.86Å; M359-R363 HydrophobicContact CE-CB 4.01Å; M359-R363 HydrophobicContact CE-CG 4.19Å; M359-R363 HydrophobicContact SD-CG 4.41Å; M359-A377 HydrophobicContact SD-CB 3.58Å; M359-A377 VanDerWaalsContact SD-CB 3.58Å; M359-W400 HydrophobicContact CG-CD2 3.76Å; M359-W400 VanDerWaalsContact CG-CE2 3.49Å; M359-W400 HydrophobicContact CG-CE3 3.91Å; M359-W400 HydrophobicContact CG-CH2 3.49Å; M359-W400 VanDerWaalsContact CG-CH2 3.49Å; M359-W400 HydrophobicContact CG-CZ2 3.36Å; M359-W400 HydrophobicContact CG-CZ3 3.77Å; M359-W400 HydrophobicContact SD-CH2 3.77Å; M359-W400 HydrophobicContact SD-CZ2 4.16Å; M359-W400 HydrophobicContact SD-CZ3 4.09Å; M359-V616 HydrophobicContact CE-CB 4.38Å; M359-S626 PolarHBondContact N-O 2.91Å; M359-S626 VanDerWaalsContact O-CB 3.3Å; M359-S626 WeakPolarHBondContact O-CB 3.34Å
360	H	95.3	Very high	87.5	Confident	118 Å²	118	55.6 Å²	55.6	55%	0.546	29%	0.293	S	S	.	.	S	Bend	trans	-64.2	-36.1	173.5	-63.3	79.6	0	0	0	111.3	E391 W400 F402	H360-E391 WeakPolarHBondContact CB-OE2 3.36Å; H360-E391 IonicContact CG-OE2 3.33Å; H360-E391 PolarHBondContact N-OE2 3.14Å; H360-E391 IonicContact ND1-OE2 3.94Å; H360-E391 PolarHBondContact ND1-OE2 3.45Å; H360-W400 PolarHBondContact CE1-O 3.34Å; H360-F402 HydrophobicContact CB-CZ 3.83Å; H360-F402 AromaticContact CG-CZ 3.75Å; H360-F402 AromaticContact ND1-CZ 3.91Å
361	Y	91.5	Very high	90	Very high	86 Å²	86	48 Å²	48	34%	0.337	26%	0.259	S	S	.	.	S	Bend	trans	-111.3	136.5	176.9	-65.1	-84.1	0	0	0	110.8	M359 L387 T389 E391 F402	M359-Y361 VanDerWaalsContact C-N 3.26Å; M359-Y361 WeakPolarHBondContact CB-O 3.27Å; M359-Y361 PolarHBondContact O-N 2.86Å; Y361-L387 HydrophobicContact CD1-CD2 4.07Å; Y361-L387 HydrophobicContact CG-CD1 4.49Å; Y361-L387 HydrophobicContact CG-CD2 4.37Å; Y361-T389 HydrophobicContact CE2-CG2 4.38Å; Y361-E391 PolarHBondContact N-OE1 2.61Å; Y361-F402 HydrophobicContact CD2-CE1 4.17Å; Y361-F402 HydrophobicContact CD2-CZ 4.24Å; Y361-F402 AromaticContact CE2-CE1 3.93Å; Y361-F402 HydrophobicContact CE2-CE1 3.93Å; Y361-F402 AromaticContact CE2-CZ 3.81Å; Y361-F402 HydrophobicContact CE2-CZ 3.81Å
362	A	96.3	Very high	92	Very high	23 Å²	23	48.8 Å²	48.8	19%	0.19	26%	0.263	C	S	.	.			trans	-65.1	134.4	161.7	0	0	0	0	0	109.6	N382 F624 L625	A362-N382 WeakPolarHBondContact O-CB 3.32Å; A362-F624 HydrophobicContact CB-CB 3.78Å; A362-F624 VanDerWaalsContact CB-O 3.27Å; A362-F624 WeakPolarHBondContact CB-O 3.38Å; A362-L625 WeakPolarHBondContact CA-O 3.48Å
363	R	98.2	Very high	93.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.256	C	S	.	.			trans	-137	124.5	-173.4	-64.5	175.1	-173	-87.9	-1.6	110.7	M359 L366 G379 L387 T389 E391 G617 G618 L625	M359-R363 HydrophobicContact CE-CB 4.01Å; M359-R363 HydrophobicContact CE-CG 4.19Å; M359-R363 HydrophobicContact SD-CG 4.41Å; R363-L366 HydrophobicContact CB-CB 4.15Å; R363-L366 HydrophobicContact CB-CD1 3.89Å; R363-L366 HydrophobicContact CB-CD2 4.35Å; R363-L366 HydrophobicContact CB-CG 4.35Å; R363-G379 WeakPolarHBondContact CD-O 3.22Å; R363-G379 PolarHBondContact NH1-O 3.38Å; R363-L387 HydrophobicContact CG-CD1 3.81Å; R363-T389 PolarHBondContact NH1-O 3.23Å; R363-T389 PolarHBondContact NH1-OG1 3.17Å; R363-T389 PolarHBondContact NH2-OG1 2.7Å; R363-E391 IonicContact CZ-OE1 3.92Å; R363-E391 VanDerWaalsContact CZ-OE1 3.25Å; R363-E391 IonicContact NE-OE1 2.92Å; R363-E391 PolarHBondContact NE-OE1 3.14Å; R363-E391 IonicContact NH2-OE1 2.72Å; R363-E391 PolarHBondContact NH2-OE1 2.75Å; R363-G617 WeakPolarHBondContact O-CA 3.47Å; R363-G618 PolarHBondContact O-N 3.43Å; R363-L625 PolarHBondContact N-O 3.22Å
364	S	97.1	Very high	94.6	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-123.2	152.7	164.8	-177.3	0	0	0	0	110.4	L366 G380 Y381 N603 F624	S364-L366 PolarHBondContact O-N 3.3Å; S364-G380 CarbonylContact O-C 3.57Å; S364-G380 WeakPolarHBondContact O-CA 3.14Å; S364-Y381 PolarHBondContact N-O 2.81Å; S364-Y381 WeakPolarHBondContact O-CD1 3.11Å; S364-Y381 WeakPolarHBondContact O-CE1 3.03Å; S364-Y381 PolarHBondContact O-N 2.85Å; S364-N603 VanDerWaalsContact OG-CB 3.32Å; S364-N603 WeakPolarHBondContact OG-CB 3.46Å; S364-N603 PolarHBondContact OG-O 2.94Å; S364-F624 VanDerWaalsContact CB-CD1 3.41Å
365	G	95.8	Very high	95.4	Very high	8 Å²	8	38.7 Å²	38.7	8%	0.082	23%	0.226	C	C	.	.	S	Bend	trans	59	32.3	-175.5	0	0	0	0	0	112.8	R412 N603	G365-R412 PolarHBondContact O-N 2.98Å; G365-N603 PolarHBondContact N-O 2.95Å
366	L	97.8	Very high	95.9	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.052	20%	0.198	C	C	.	.			trans	-83	159.1	178.2	73.4	164.6	0	0	0	112.1	R363 S364 T368 A377 V616	R363-L366 HydrophobicContact CB-CB 4.15Å; R363-L366 HydrophobicContact CB-CD1 3.89Å; R363-L366 HydrophobicContact CB-CD2 4.35Å; R363-L366 HydrophobicContact CB-CG 4.35Å; S364-L366 PolarHBondContact O-N 3.3Å; L366-T368 HydrophobicContact CD1-CG2 3.72Å; L366-T368 HydrophobicContact CG-CG2 4.02Å; L366-A377 HydrophobicContact CD1-CB 3.75Å; L366-V616 HydrophobicContact CD1-CG2 4.33Å
367	G	97.6	Very high	96.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137.1	163.9	0	0	0	0	0	110.6	A378	G367-A378 PolarHBondContact N-O 3.4Å; G367-A378 PolarHBondContact O-N 2.91Å
368	T	98.1	Very high	96.4	Very high	21 Å²	21	31.9 Å²	31.9	13%	0.129	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.4	173.9	40.7	0	0	0	0	112.1	L366 I376 G605 V606 V616	L366-T368 HydrophobicContact CD1-CG2 3.72Å; L366-T368 HydrophobicContact CG-CG2 4.02Å; T368-I376 VanDerWaalsContact CA-O 3.25Å; T368-I376 WeakPolarHBondContact CA-O 3.49Å; T368-G605 WeakPolarHBondContact OG1-CA 3.39Å; T368-V606 PolarHBondContact OG1-N 3.34Å; T368-V606 PolarHBondContact OG1-O 2.99Å; T368-V616 HydrophobicContact CG2-CG2 3.54Å
369	A	97.1	Very high	96.4	Very high	9 Å²	9	28.6 Å²	28.6	7%	0.074	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	159.5	176.5	0	0	0	0	0	110.2	I376 M415 V417 L422	A369-I376 PolarHBondContact N-O 2.77Å; A369-I376 PolarHBondContact O-N 2.88Å; A369-M415 HydrophobicContact CB-CE 3.57Å; A369-M415 HydrophobicContact CB-CG 4.48Å; A369-V417 HydrophobicContact CB-CG2 3.59Å; A369-L422 HydrophobicContact CB-CD2 3.98Å
370	A	96.1	Very high	96.4	Very high	34 Å²	34	28.3 Å²	28.3	28%	0.281	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133	164.2	0	0	0	0	0	110.1	R374 M608 L609	A370-R374 WeakPolarHBondContact CA-O 3.16Å; A370-M608 WeakPolarHBondContact CB-O 3.37Å; A370-L609 HydrophobicContact CB-CD1 3.99Å
371	L	95.1	Very high	96.3	Very high	15 Å²	15	25.4 Å²	25.4	8%	0.079	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	129.4	175.9	-174.6	68.3	0	0	0	109.3	G373 R374 I376 V417 G420 L422 Y441 P443	L371-G373 VanDerWaalsContact C-N 3.26Å; L371-G373 PolarHBondContact O-N 2.87Å; L371-R374 PolarHBondContact N-O 2.78Å; L371-R374 PolarHBondContact O-N 2.99Å; L371-I376 HydrophobicContact CB-CG1 4.01Å; L371-V417 HydrophobicContact CD1-CG1 4.46Å; L371-G420 WeakPolarHBondContact CD1-O 3.08Å; L371-L422 HydrophobicContact CB-CD2 4.23Å; L371-L422 HydrophobicContact CD2-CD1 4.11Å; L371-L422 HydrophobicContact CD2-CD2 4.05Å; L371-L422 HydrophobicContact CD2-CG 3.91Å; L371-Y441 HydrophobicContact CD2-CD1 4.34Å; L371-Y441 HydrophobicContact CD2-CE1 4.36Å; L371-P443 HydrophobicContact CD2-CB 4.23Å
372	N	92.4	Very high	96.2	Very high	126 Å²	126	22.4 Å²	22.4	67%	0.674	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	40.5	177.1	-59.5	-23.1	0	0	0	114.1	R374	N372-R374 VanDerWaalsContact C-N 3.25Å; N372-R374 PolarHBondContact O-N 2.89Å
373	G	92.9	Very high	95.5	Very high	51 Å²	51	28.4 Å²	28.4	53%	0.526	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	18.4	-179.7	0	0	0	0	0	114.3	L371 L609	L371-G373 VanDerWaalsContact C-N 3.26Å; L371-G373 PolarHBondContact O-N 2.87Å; G373-L609 VanDerWaalsContact C-CD1 3.45Å
374	R	95.8	Very high	94.7	Very high	90 Å²	90	36.4 Å²	36.4	34%	0.34	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.5	175.3	-58.5	-178.2	-178	-105	-5.8	111.3	A370 L371 N372 I376 C392 Y393 N394	A370-R374 WeakPolarHBondContact CA-O 3.16Å; L371-R374 PolarHBondContact N-O 2.78Å; L371-R374 PolarHBondContact O-N 2.99Å; N372-R374 VanDerWaalsContact C-N 3.25Å; N372-R374 PolarHBondContact O-N 2.89Å; R374-I376 HydrophobicContact CB-CD1 4.26Å; R374-C392 WeakPolarHBondContact CB-SG 3.29Å; R374-C392 WeakPolarHBondContact CD-SG 3.34Å; R374-Y393 WeakPolarHBondContact CA-O 3.39Å; R374-Y393 WeakPolarHBondContact CB-O 3.45Å; R374-N394 PolarHBondContact NH1-ND2 3.03Å
375	L	97.8	Very high	94.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.7	174.9	170.2	71.4	0	0	0	109.5	C392 Y393 W400 A607 L609 Y614 V616	L375-C392 CarbonylContact O-C 3.54Å; L375-C392 WeakPolarHBondContact O-CA 3.43Å; L375-Y393 HydrophobicContact CB-CD1 4.49Å; L375-Y393 PolarHBondContact N-O 3.25Å; L375-Y393 VanDerWaalsContact N-O 3.16Å; L375-Y393 PolarHBondContact O-N 2.84Å; L375-W400 HydrophobicContact CD2-CH2 4.16Å; L375-A607 HydrophobicContact CD1-CB 3.62Å; L375-L609 HydrophobicContact CB-CD2 4.19Å; L375-Y614 HydrophobicContact CD2-CD1 4.21Å; L375-Y614 HydrophobicContact CD2-CG 4.19Å; L375-V616 HydrophobicContact CD2-CG1 3.53Å; L375-V616 HydrophobicContact CD2-CG2 4.42Å
376	I	98.4	Very high	94	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.015	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.4	-177.6	-47.6	-49.1	0	0	0	109.6	T368 A369 L371 R374 V390 C392 M403 M415 L422	T368-I376 VanDerWaalsContact CA-O 3.25Å; T368-I376 WeakPolarHBondContact CA-O 3.49Å; A369-I376 PolarHBondContact N-O 2.77Å; A369-I376 PolarHBondContact O-N 2.88Å; L371-I376 HydrophobicContact CB-CG1 4.01Å; R374-I376 HydrophobicContact CB-CD1 4.26Å; I376-V390 HydrophobicContact CG2-CG1 3.62Å; I376-C392 HydrophobicContact CD1-CB 3.96Å; I376-C392 WeakPolarHBondContact CD1-SG 3.29Å; I376-M403 HydrophobicContact CD1-CE 4.39Å; I376-M403 HydrophobicContact CD1-SD 3.59Å; I376-M403 VanDerWaalsContact CD1-SD 3.59Å; I376-M403 HydrophobicContact CG1-SD 4.38Å; I376-M403 HydrophobicContact CG2-SD 4.03Å; I376-M415 HydrophobicContact CB-CE 4.2Å; I376-M415 HydrophobicContact CG2-CE 4.16Å; I376-L422 HydrophobicContact CB-CD1 4.38Å; I376-L422 HydrophobicContact CG1-CD1 4.27Å; I376-L422 HydrophobicContact CG2-CD1 3.89Å
377	A	98.4	Very high	93.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	104.3	175.1	0	0	0	0	0	109.8	M359 L366 V390 E391 W400	M359-A377 HydrophobicContact SD-CB 3.58Å; M359-A377 VanDerWaalsContact SD-CB 3.58Å; L366-A377 HydrophobicContact CD1-CB 3.75Å; A377-V390 WeakPolarHBondContact O-CA 3.07Å; A377-E391 PolarHBondContact N-O 3.39Å; A377-E391 PolarHBondContact O-N 3Å; A377-W400 HydrophobicContact CB-CH2 4.08Å; A377-W400 HydrophobicContact CB-CZ3 3.8Å
378	A	98.4	Very high	93.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.2	-173.7	0	0	0	0	0	112	G367 G380 V390 F413 M415	G367-A378 PolarHBondContact N-O 3.4Å; G367-A378 PolarHBondContact O-N 2.91Å; A378-G380 PolarHBondContact O-N 3.1Å; A378-V390 HydrophobicContact CB-CG1 4.12Å; A378-V390 HydrophobicContact CB-CG2 4.03Å; A378-F413 HydrophobicContact CB-CZ 4.25Å; A378-F413 VanDerWaalsContact O-CZ 3.26Å; A378-F413 WeakPolarHBondContact O-CZ 3.3Å; A378-M415 HydrophobicContact CB-CE 4.34Å; A378-M415 HydrophobicContact CB-SD 4.09Å
379	G	97.6	Very high	93.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.			trans	59.2	-133.6	173.6	0	0	0	0	0	113.9	R363 L387 T389 M406 R410	R363-G379 WeakPolarHBondContact CD-O 3.22Å; R363-G379 PolarHBondContact NH1-O 3.38Å; G379-L387 VanDerWaalsContact CA-O 3.31Å; G379-L387 WeakPolarHBondContact CA-O 3.35Å; G379-T389 PolarHBondContact N-O 3.26Å; G379-M406 VanDerWaalsContact CA-CE 3.46Å; G379-R410 WeakPolarHBondContact CA-O 3Å
380	G	96.4	Very high	93.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.229	C	C	.	.			trans	88	-172	-170	0	0	0	0	0	111.6	S364 A378 L387 R410	S364-G380 CarbonylContact O-C 3.57Å; S364-G380 WeakPolarHBondContact O-CA 3.14Å; A378-G380 PolarHBondContact O-N 3.1Å; G380-L387 WeakPolarHBondContact O-CB 3.4Å; G380-L387 PolarHBondContact O-N 3.04Å; G380-R410 PolarHBondContact N-O 3.45Å
381	Y	92.9	Very high	93.9	Very high	56 Å²	56	44.9 Å²	44.9	22%	0.22	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-138.7	159.1	178.3	69.8	-75.1	0	0	0	110.8	S364 E385 A411 R412 F624	S364-Y381 PolarHBondContact N-O 2.81Å; S364-Y381 WeakPolarHBondContact O-CD1 3.11Å; S364-Y381 WeakPolarHBondContact O-CE1 3.03Å; S364-Y381 PolarHBondContact O-N 2.85Å; Y381-E385 WeakPolarHBondContact CA-O 3.03Å; Y381-A411 HydrophobicContact CD1-CB 3.78Å; Y381-A411 HydrophobicContact CG-CB 4.28Å; Y381-R412 HydrophobicContact CE1-CG 4.28Å; Y381-F624 AromaticContact CD2-CE1 3.68Å; Y381-F624 HydrophobicContact CD2-CE1 3.68Å; Y381-F624 AromaticContact CD2-CZ 3.98Å; Y381-F624 HydrophobicContact CD2-CZ 3.98Å; Y381-F624 AromaticContact CE2-CE1 3.36Å; Y381-F624 HydrophobicContact CE2-CE1 3.36Å; Y381-F624 AromaticContact CE2-CZ 3.59Å; Y381-F624 HydrophobicContact CE2-CZ 3.59Å; Y381-F624 HydrophobicContact CG-CE1 4.48Å; Y381-F624 AromaticContact CZ-CE1 3.92Å; Y381-F624 WeakPolarHBondContact O-CD1 3.41Å
382	N	89.6	Confident	94	Very high	24 Å²	24	44.5 Å²	44.5	13%	0.128	21%	0.214	C	C	.	.			trans	-131.9	-162.3	170.6	61	35.5	0	0	0	109.7	A362 E384 E385 F624	A362-N382 WeakPolarHBondContact O-CB 3.32Å; N382-E384 PolarHBondContact O-N 2.72Å; N382-E384 WeakPolarHBondContact OD1-CA 3.38Å; N382-E384 WeakPolarHBondContact OD1-CB 3.5Å; N382-E384 PolarHBondContact OD1-N 3.06Å; N382-E385 PolarHBondContact N-O 3.49Å; N382-E385 PolarHBondContact OD1-N 3.01Å; N382-E385 PolarHBondContact OD1-O 3.5Å; N382-F624 HydrophobicContact CB-CB 4.33Å; N382-F624 HydrophobicContact CB-CG 4.27Å
383	R	81.3	Confident	94.3	Very high	149 Å²	149	38.5 Å²	38.5	56%	0.562	18%	0.182	S	C	*	.	S	Bend	trans	-68.4	-23.1	179.2	-70.3	-175.5	178.1	177.6	-1	113.6	N622 F624	R383-N622 PolarHBondContact NH2-O 2.92Å; R383-F624 HydrophobicContact CB-CE2 4.46Å; R383-F624 HydrophobicContact CG-CD2 3.59Å; R383-F624 HydrophobicContact CG-CE2 3.49Å; R383-F624 VanDerWaalsContact CG-CE2 3.49Å
384	E	83.2	Confident	94.4	Very high	168 Å²	168	36.4 Å²	36.4	79%	0.785	16%	0.159	S	C	*	.	S	Bend	trans	-97.5	-45.7	-170.1	-57.5	-176.4	173	0	0	110.8	N382	N382-E384 PolarHBondContact O-N 2.72Å; N382-E384 WeakPolarHBondContact OD1-CA 3.38Å; N382-E384 WeakPolarHBondContact OD1-CB 3.5Å; N382-E384 PolarHBondContact OD1-N 3.06Å
385	E	85.8	Confident	94.2	Very high	102 Å²	102	33.6 Å²	33.6	48%	0.477	15%	0.152	S	C	.	.			trans	-155.4	167.3	-171	62.9	178.9	173.2	0	0	114.6	Y381 N382 L387	Y381-E385 WeakPolarHBondContact CA-O 3.03Å; N382-E385 PolarHBondContact N-O 3.49Å; N382-E385 PolarHBondContact OD1-N 3.01Å; N382-E385 PolarHBondContact OD1-O 3.5Å; E385-L387 HydrophobicContact CG-CD2 3.75Å; E385-L387 WeakPolarHBondContact OE1-CD2 3.46Å
386	C	91.3	Very high	93.8	Very high	19 Å²	19	39.8 Å²	39.8	13%	0.128	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-86.1	132.4	161.4	-170.6	0	0	0	0	108.4	P409 A411 S428	C386-P409 HydrophobicContact CB-CB 4.1Å; C386-P409 WeakPolarHBondContact O-CB 3.45Å; C386-A411 VanDerWaalsContact SG-CB 3.55Å; C386-S428 PolarHBondContact SG-O 2.91Å
387	L	94.8	Very high	93.5	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	21%	0.213	C	C	.	.			trans	-97.8	141.5	-170.2	-59.9	168.1	0	0	0	111.2	Y361 R363 G379 G380 E385 R410	Y361-L387 HydrophobicContact CD1-CD2 4.07Å; Y361-L387 HydrophobicContact CG-CD1 4.49Å; Y361-L387 HydrophobicContact CG-CD2 4.37Å; R363-L387 HydrophobicContact CG-CD1 3.81Å; G379-L387 VanDerWaalsContact CA-O 3.31Å; G379-L387 WeakPolarHBondContact CA-O 3.35Å; G380-L387 WeakPolarHBondContact O-CB 3.4Å; G380-L387 PolarHBondContact O-N 3.04Å; E385-L387 HydrophobicContact CG-CD2 3.75Å; E385-L387 WeakPolarHBondContact OE1-CD2 3.46Å; L387-R410 PolarHBondContact O-N 2.95Å
388	R	95.6	Very high	93.2	Very high	107 Å²	107	47.1 Å²	47.1	40%	0.404	22%	0.221	S	C	.	.			trans	-105.9	-12.3	167.3	64.7	-179.7	-67.8	-119.1	-2.8	113.5	P405 M406 P409	R388-P405 HydrophobicContact CG-CB 4.4Å; R388-M406 PolarHBondContact NE-O 3.08Å; R388-M406 PolarHBondContact NH2-O 2.99Å; R388-M406 PolarHBondContact O-N 3.28Å; R388-P409 HydrophobicContact CB-CB 4.36Å; R388-P409 HydrophobicContact CB-CG 4.16Å
389	T	97.6	Very high	93	Very high	30 Å²	30	48.9 Å²	48.9	18%	0.184	23%	0.233	C	C	.	.			trans	-68.3	148.2	-176.9	52.2	0	0	0	0	110.7	Y361 R363 G379	Y361-T389 HydrophobicContact CE2-CG2 4.38Å; R363-T389 PolarHBondContact NH1-O 3.23Å; R363-T389 PolarHBondContact NH1-OG1 3.17Å; R363-T389 PolarHBondContact NH2-OG1 2.7Å; G379-T389 PolarHBondContact N-O 3.26Å
390	V	98.6	Very high	93	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122.2	178.2	-176.4	0	0	0	0	107.2	I376 A377 A378 M403 M406 W448	I376-V390 HydrophobicContact CG2-CG1 3.62Å; A377-V390 WeakPolarHBondContact O-CA 3.07Å; A378-V390 HydrophobicContact CB-CG1 4.12Å; A378-V390 HydrophobicContact CB-CG2 4.03Å; V390-M403 HydrophobicContact CB-CB 4.24Å; V390-M403 HydrophobicContact CG1-CB 4.13Å; V390-M403 HydrophobicContact CG1-SD 4.05Å; V390-M403 PolarHBondContact O-N 2.83Å; V390-M406 HydrophobicContact CG2-CG 4.09Å; V390-W448 HydrophobicContact CG2-CZ2 3.81Å
391	E	98.3	Very high	93	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	147.7	178.7	-72.4	179.7	-98.6	0	0	110.2	H360 Y361 R363 A377 W400 T401 F402	H360-E391 WeakPolarHBondContact CB-OE2 3.36Å; H360-E391 IonicContact CG-OE2 3.33Å; H360-E391 PolarHBondContact N-OE2 3.14Å; H360-E391 IonicContact ND1-OE2 3.94Å; H360-E391 PolarHBondContact ND1-OE2 3.45Å; Y361-E391 PolarHBondContact N-OE1 2.61Å; R363-E391 IonicContact CZ-OE1 3.92Å; R363-E391 VanDerWaalsContact CZ-OE1 3.25Å; R363-E391 IonicContact NE-OE1 2.92Å; R363-E391 PolarHBondContact NE-OE1 3.14Å; R363-E391 IonicContact NH2-OE1 2.72Å; R363-E391 PolarHBondContact NH2-OE1 2.75Å; A377-E391 PolarHBondContact N-O 3.39Å; A377-E391 PolarHBondContact O-N 3Å; E391-W400 HydrophobicContact CB-CE3 3.64Å; E391-W400 HydrophobicContact CB-CZ3 4.02Å; E391-T401 CarbonylContact C-O 3.58Å; E391-T401 WeakPolarHBondContact CA-O 2.99Å; E391-F402 HydrophobicContact CG-CD1 3.7Å; E391-F402 HydrophobicContact CG-CE1 3.44Å; E391-F402 VanDerWaalsContact CG-CE1 3.44Å; E391-F402 HydrophobicContact CG-CZ 4.23Å
392	C	97.6	Very high	93.2	Very high	6 Å²	6	55 Å²	55	4%	0.041	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.7	-174.4	-180	0	0	0	0	109.4	R374 L375 I376 W400 T401 M403	R374-C392 WeakPolarHBondContact CB-SG 3.29Å; R374-C392 WeakPolarHBondContact CD-SG 3.34Å; L375-C392 CarbonylContact O-C 3.54Å; L375-C392 WeakPolarHBondContact O-CA 3.43Å; I376-C392 HydrophobicContact CD1-CB 3.96Å; I376-C392 WeakPolarHBondContact CD1-SG 3.29Å; C392-W400 CarbonylContact O-C 3.57Å; C392-W400 WeakPolarHBondContact O-CA 3.13Å; C392-T401 PolarHBondContact N-O 2.87Å; C392-T401 PolarHBondContact O-N 3.09Å; C392-M403 HydrophobicContact CB-CG 3.76Å; C392-M403 HydrophobicContact CB-SD 3.66Å
393	Y	97.9	Very high	93.6	Very high	1 Å²	1	55.4 Å²	55.4	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.5	179.1	180	-109.9	0	0	0	111.5	L356 R374 L375 P395 D398 C399 W400 Y614	L356-Y393 VanDerWaalsContact CD2-OH 3.24Å; L356-Y393 WeakPolarHBondContact CD2-OH 3.46Å; R374-Y393 WeakPolarHBondContact CA-O 3.39Å; R374-Y393 WeakPolarHBondContact CB-O 3.45Å; L375-Y393 HydrophobicContact CB-CD1 4.49Å; L375-Y393 PolarHBondContact N-O 3.25Å; L375-Y393 VanDerWaalsContact N-O 3.16Å; L375-Y393 PolarHBondContact O-N 2.84Å; Y393-P395 HydrophobicContact CE1-CB 3.99Å; Y393-D398 VanDerWaalsContact CE2-OD1 3.26Å; Y393-D398 WeakPolarHBondContact CE2-OD1 3.37Å; Y393-D398 VanDerWaalsContact CZ-OD1 3.31Å; Y393-D398 PolarHBondContact OH-OD1 3.31Å; Y393-C399 WeakPolarHBondContact CA-O 3.27Å; Y393-W400 AromaticContact CD2-CD1 3.69Å; Y393-W400 AromaticContact CD2-CD2 3.96Å; Y393-W400 HydrophobicContact CD2-CD2 3.96Å; Y393-W400 AromaticContact CD2-CE2 3.6Å; Y393-W400 HydrophobicContact CD2-CG 4.05Å; Y393-W400 HydrophobicContact CD2-CZ2 4.16Å; Y393-W400 AromaticContact CD2-NE1 3.37Å; Y393-W400 AromaticContact CE2-NE1 3.99Å; Y393-W400 HydrophobicContact CG-CD2 4.26Å; Y393-W400 AromaticContact CG-CE2 3.89Å; Y393-W400 HydrophobicContact CG-CZ2 4.03Å; Y393-Y614 HydrophobicContact CD1-CE1 4.31Å; Y393-Y614 HydrophobicContact CE1-CD1 4.42Å; Y393-Y614 AromaticContact CE1-CE1 3.77Å; Y393-Y614 HydrophobicContact CE1-CE1 3.77Å
394	N	95	Very high	94.3	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	108.2	171.2	-169.3	-7.7	0	0	0	109.8	R374 N396 E397 D398 C399	R374-N394 PolarHBondContact NH1-ND2 3.03Å; N394-N396 PolarHBondContact O-N 3.37Å; N394-N396 PolarHBondContact OD1-N 2.54Å; N394-E397 HydrophobicContact CB-CB 4.29Å; N394-E397 WeakPolarHBondContact ND2-CG 3.49Å; N394-E397 PolarHBondContact ND2-OE2 3.2Å; N394-E397 PolarHBondContact O-N 2.6Å; N394-D398 WeakPolarHBondContact O-CA 3.49Å; N394-D398 PolarHBondContact O-N 3.42Å; N394-C399 PolarHBondContact N-O 3.5Å; N394-C399 PolarHBondContact O-N 3.11Å
395	P	91.4	Very high	94.9	Very high	31 Å²	31	43.8 Å²	43.8	20%	0.201	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.8	-179.3	30.5	-38.8	0	0	0	113.3	Y393 L609	Y393-P395 HydrophobicContact CE1-CB 3.99Å; P395-L609 HydrophobicContact CB-CD2 4.19Å; P395-L609 HydrophobicContact CG-CD2 3.63Å
396	N	90.4	Very high	95.4	Very high	129 Å²	129	38.9 Å²	38.9	69%	0.69	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-26.7	-179.1	-61.9	-37.5	0	0	0	112.9	N394	N394-N396 PolarHBondContact O-N 3.37Å; N394-N396 PolarHBondContact OD1-N 2.54Å
397	E	90.5	Very high	95.4	Very high	128 Å²	128	44.5 Å²	44.5	60%	0.598	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111	-2.1	-176.7	-68.7	170.3	178	0	0	112.2	N394 C399	N394-E397 HydrophobicContact CB-CB 4.29Å; N394-E397 WeakPolarHBondContact ND2-CG 3.49Å; N394-E397 PolarHBondContact ND2-OE2 3.2Å; N394-E397 PolarHBondContact O-N 2.6Å; E397-C399 VanDerWaalsContact C-N 3.31Å; E397-C399 HydrophobicContact CB-CB 4.48Å; E397-C399 PolarHBondContact O-N 3.32Å; E397-C399 PolarHBondContact OE2-SG 3.1Å
398	D	92.8	Very high	95.1	Very high	30 Å²	30	46.7 Å²	46.7	16%	0.16	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.7	54	-169.5	-173.6	46.9	0	0	0	112.8	S357 Y393 N394 T642	S357-D398 VanDerWaalsContact CB-O 3.23Å; S357-D398 WeakPolarHBondContact CB-O 3.44Å; S357-D398 WeakPolarHBondContact CB-OD2 3.44Å; S357-D398 PolarHBondContact N-OD1 2.9Å; S357-D398 PolarHBondContact N-OD2 2.93Å; S357-D398 PolarHBondContact OG-O 3.35Å; S357-D398 PolarHBondContact OG-OD2 3.38Å; Y393-D398 VanDerWaalsContact CE2-OD1 3.26Å; Y393-D398 WeakPolarHBondContact CE2-OD1 3.37Å; Y393-D398 VanDerWaalsContact CZ-OD1 3.31Å; Y393-D398 PolarHBondContact OH-OD1 3.31Å; N394-D398 WeakPolarHBondContact O-CA 3.49Å; N394-D398 PolarHBondContact O-N 3.42Å; D398-T642 HydrophobicContact CB-CG2 4.15Å
399	C	94.3	Very high	95	Very high	37 Å²	37	43.6 Å²	43.6	25%	0.25	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	145.8	-176.6	77.4	0	0	0	0	112.9	Y393 N394 E397	Y393-C399 WeakPolarHBondContact CA-O 3.27Å; N394-C399 PolarHBondContact N-O 3.5Å; N394-C399 PolarHBondContact O-N 3.11Å; E397-C399 VanDerWaalsContact C-N 3.31Å; E397-C399 HydrophobicContact CB-CB 4.48Å; E397-C399 PolarHBondContact O-N 3.32Å; E397-C399 PolarHBondContact OE2-SG 3.1Å
400	W	97.6	Very high	94.7	Very high	17 Å²	17	42.2 Å²	42.2	6%	0.064	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.1	172.1	-70.2	89.3	0	0	0	110.4	S357 P358 M359 H360 L375 A377 E391 C392 Y393 V616	S357-W400 VanDerWaalsContact O-CD1 3.23Å; S357-W400 PolarHBondContact O-NE1 3.48Å; P358-W400 VanDerWaalsContact C-CD1 3.5Å; M359-W400 HydrophobicContact CG-CD2 3.76Å; M359-W400 VanDerWaalsContact CG-CE2 3.49Å; M359-W400 HydrophobicContact CG-CE3 3.91Å; M359-W400 HydrophobicContact CG-CH2 3.49Å; M359-W400 VanDerWaalsContact CG-CH2 3.49Å; M359-W400 HydrophobicContact CG-CZ2 3.36Å; M359-W400 HydrophobicContact CG-CZ3 3.77Å; M359-W400 HydrophobicContact SD-CH2 3.77Å; M359-W400 HydrophobicContact SD-CZ2 4.16Å; M359-W400 HydrophobicContact SD-CZ3 4.09Å; H360-W400 PolarHBondContact CE1-O 3.34Å; L375-W400 HydrophobicContact CD2-CH2 4.16Å; A377-W400 HydrophobicContact CB-CH2 4.08Å; A377-W400 HydrophobicContact CB-CZ3 3.8Å; E391-W400 HydrophobicContact CB-CE3 3.64Å; E391-W400 HydrophobicContact CB-CZ3 4.02Å; C392-W400 CarbonylContact O-C 3.57Å; C392-W400 WeakPolarHBondContact O-CA 3.13Å; Y393-W400 AromaticContact CD2-CD1 3.69Å; Y393-W400 AromaticContact CD2-CD2 3.96Å; Y393-W400 HydrophobicContact CD2-CD2 3.96Å; Y393-W400 AromaticContact CD2-CE2 3.6Å; Y393-W400 HydrophobicContact CD2-CG 4.05Å; Y393-W400 HydrophobicContact CD2-CZ2 4.16Å; Y393-W400 AromaticContact CD2-NE1 3.37Å; Y393-W400 AromaticContact CE2-NE1 3.99Å; Y393-W400 HydrophobicContact CG-CD2 4.26Å; Y393-W400 AromaticContact CG-CE2 3.89Å; Y393-W400 HydrophobicContact CG-CZ2 4.03Å; W400-V616 HydrophobicContact CH2-CG1 4.05Å; W400-V616 HydrophobicContact CZ2-CG1 4.02Å
401	T	96.8	Very high	94.5	Very high	64 Å²	64	42.3 Å²	42.3	39%	0.393	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	158.1	172.6	59.3	0	0	0	0	110.7	E391 C392	E391-T401 CarbonylContact C-O 3.58Å; E391-T401 WeakPolarHBondContact CA-O 2.99Å; C392-T401 PolarHBondContact N-O 2.87Å; C392-T401 PolarHBondContact O-N 3.09Å
402	F	97.4	Very high	94.2	Very high	104 Å²	104	47.2 Å²	47.2	46%	0.456	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	138.9	175.8	-70.6	-73.4	0	0	0	111.3	H360 Y361 E391	H360-F402 HydrophobicContact CB-CZ 3.83Å; H360-F402 AromaticContact CG-CZ 3.75Å; H360-F402 AromaticContact ND1-CZ 3.91Å; Y361-F402 HydrophobicContact CD2-CE1 4.17Å; Y361-F402 HydrophobicContact CD2-CZ 4.24Å; Y361-F402 AromaticContact CE2-CE1 3.93Å; Y361-F402 HydrophobicContact CE2-CE1 3.93Å; Y361-F402 AromaticContact CE2-CZ 3.81Å; Y361-F402 HydrophobicContact CE2-CZ 3.81Å; E391-F402 HydrophobicContact CG-CD1 3.7Å; E391-F402 HydrophobicContact CG-CE1 3.44Å; E391-F402 VanDerWaalsContact CG-CE1 3.44Å; E391-F402 HydrophobicContact CG-CZ 4.23Å
403	M	96.4	Very high	94	Very high	31 Å²	31	47.4 Å²	47.4	15%	0.153	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	175.2	165.8	-60.6	172.4	69.5	0	0	109.6	I376 V390 C392 Y441	I376-M403 HydrophobicContact CD1-CE 4.39Å; I376-M403 HydrophobicContact CD1-SD 3.59Å; I376-M403 VanDerWaalsContact CD1-SD 3.59Å; I376-M403 HydrophobicContact CG1-SD 4.38Å; I376-M403 HydrophobicContact CG2-SD 4.03Å; V390-M403 HydrophobicContact CB-CB 4.24Å; V390-M403 HydrophobicContact CG1-CB 4.13Å; V390-M403 HydrophobicContact CG1-SD 4.05Å; V390-M403 PolarHBondContact O-N 2.83Å; C392-M403 HydrophobicContact CB-CG 3.76Å; C392-M403 HydrophobicContact CB-SD 3.66Å; M403-Y441 HydrophobicContact CE-CD1 4.03Å; M403-Y441 HydrophobicContact CE-CE1 3.18Å; M403-Y441 HydrophobicContact CE-CE2 4.04Å; M403-Y441 WeakPolarHBondContact CE-OH 3.2Å
404	A	96.5	Very high	93.9	Very high	19 Å²	19	49.7 Å²	49.7	16%	0.157	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-52.4	130.1	172.4	0	0	0	0	0	111.4	Y441 D446 W448	A404-Y441 HydrophobicContact CB-CE2 4.34Å; A404-D446 WeakPolarHBondContact CB-O 3.4Å; A404-D446 WeakPolarHBondContact CB-OD1 3.39Å; A404-D446 PolarHBondContact N-OD1 3.12Å; A404-D446 VanDerWaalsContact N-OD1 3.1Å; A404-W448 VanDerWaalsContact O-CD1 3.28Å; A404-W448 PolarHBondContact O-NE1 3.22Å
405	P	97.3	Very high	93.9	Very high	54 Å²	54	49.8 Å²	49.8	35%	0.351	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-73.2	148.6	-179.4	29.4	-34.6	0	0	0	110.8	R388	R388-P405 HydrophobicContact CG-CB 4.4Å
406	M	96.2	Very high	94.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-56.1	152.4	170.5	-67.1	-178.7	-66.4	0	0	110.3	G379 R388 V390 T408 R410 F413 V424 W448	G379-M406 VanDerWaalsContact CA-CE 3.46Å; R388-M406 PolarHBondContact NE-O 3.08Å; R388-M406 PolarHBondContact NH2-O 2.99Å; R388-M406 PolarHBondContact O-N 3.28Å; V390-M406 HydrophobicContact CG2-CG 4.09Å; M406-T408 VanDerWaalsContact C-N 3.27Å; M406-T408 PolarHBondContact O-N 3.42Å; M406-R410 HydrophobicContact CE-CB 3.82Å; M406-R410 HydrophobicContact SD-CB 4.14Å; M406-F413 HydrophobicContact CE-CZ 4.45Å; M406-F413 HydrophobicContact SD-CZ 4.36Å; M406-V424 HydrophobicContact SD-CG1 4.45Å; M406-V424 HydrophobicContact SD-CG2 3.91Å; M406-W448 HydrophobicContact CG-CD2 3.89Å; M406-W448 HydrophobicContact CG-CE3 4.2Å; M406-W448 HydrophobicContact CG-CG 4.47Å; M406-W448 HydrophobicContact CG-CH2 4.09Å; M406-W448 HydrophobicContact CG-CZ2 3.78Å; M406-W448 HydrophobicContact CG-CZ3 4.3Å; M406-W448 HydrophobicContact SD-CH2 4.45Å
407	R	90.8	Very high	94.4	Very high	137 Å²	137	44.8 Å²	44.8	52%	0.517	23%	0.226	S	C	.	.	S	Bend	trans	-64.1	-36.3	179.1	-62.5	-177.2	177	-138.9	-5.9	111.6	E439 W448	R407-E439 VanDerWaalsContact CB-OE2 3.3Å; R407-E439 WeakPolarHBondContact CB-OE2 3.27Å; R407-E439 WeakPolarHBondContact CG-OE2 3.47Å; R407-E439 PolarHBondContact N-OE2 2.93Å; R407-W448 HydrophobicContact CG-CB 4.44Å; R407-W448 VanDerWaalsContact CZ-O 3.29Å; R407-W448 PolarHBondContact NE-O 3.36Å; R407-W448 PolarHBondContact NH2-O 3.2Å
408	T	88.3	Confident	94.7	Very high	48 Å²	48	39 Å²	39	29%	0.294	20%	0.199	S	C	.	.	S	Bend	trans	-123.2	141.8	-179.3	57.8	0	0	0	0	111.1	M406 R410 E439	M406-T408 VanDerWaalsContact C-N 3.27Å; M406-T408 PolarHBondContact O-N 3.42Å; T408-R410 PolarHBondContact O-N 3.08Å; T408-R410 PolarHBondContact OG1-NH2 3.24Å; T408-E439 PolarHBondContact OG1-OE1 3.01Å
409	P	92.5	Very high	94.7	Very high	43 Å²	43	42.6 Å²	42.6	28%	0.279	22%	0.216	S	C	.	.			trans	-55.9	134	168	-24.3	34.3	0	0	0	110.9	C386 R388 N429	C386-P409 HydrophobicContact CB-CB 4.1Å; C386-P409 WeakPolarHBondContact O-CB 3.45Å; R388-P409 HydrophobicContact CB-CB 4.36Å; R388-P409 HydrophobicContact CB-CG 4.16Å; P409-N429 VanDerWaalsContact O-CA 3.27Å; P409-N429 WeakPolarHBondContact O-CA 3.47Å; P409-N429 VanDerWaalsContact O-CB 3.29Å; P409-N429 WeakPolarHBondContact O-CB 3.33Å
410	R	92.8	Very high	94.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.			trans	-145.1	126.7	-172.7	-166.3	-176.5	-63.8	-89	-2.1	110.3	G379 G380 L387 M406 T408 F413 G426 L435 S437 E439	G379-R410 WeakPolarHBondContact CA-O 3Å; G380-R410 PolarHBondContact N-O 3.45Å; L387-R410 PolarHBondContact O-N 2.95Å; M406-R410 HydrophobicContact CE-CB 3.82Å; M406-R410 HydrophobicContact SD-CB 4.14Å; T408-R410 PolarHBondContact O-N 3.08Å; T408-R410 PolarHBondContact OG1-NH2 3.24Å; R410-F413 HydrophobicContact CB-CD1 4.2Å; R410-F413 HydrophobicContact CB-CE1 4.07Å; R410-F413 HydrophobicContact CG-CB 4.46Å; R410-F413 HydrophobicContact CG-CD1 3.51Å; R410-F413 HydrophobicContact CG-CE1 3.85Å; R410-F413 HydrophobicContact CG-CG 3.98Å; R410-F413 VanDerWaalsContact O-CE1 3.27Å; R410-F413 WeakPolarHBondContact O-CE1 3.3Å; R410-G426 WeakPolarHBondContact CD-O 3.47Å; R410-G426 WeakPolarHBondContact CG-O 3.46Å; R410-G426 PolarHBondContact NH1-O 2.97Å; R410-L435 HydrophobicContact CB-CD1 4.43Å; R410-L435 HydrophobicContact CG-CD1 4.05Å; R410-S437 PolarHBondContact NH1-O 2.8Å; R410-S437 PolarHBondContact NH2-OG 3.48Å; R410-E439 IonicContact CZ-OE1 2.81Å; R410-E439 IonicContact NE-OE1 2.86Å; R410-E439 IonicContact NH2-OE1 3.12Å; R410-E439 PolarHBondContact NH2-OE1 3.42Å
411	A	93.3	Very high	94.6	Very high	2 Å²	2	44 Å²	44	2%	0.017	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-134	168.7	173.9	0	0	0	0	0	110.4	Y381 C386 F413 G427 S428	Y381-A411 HydrophobicContact CD1-CB 3.78Å; Y381-A411 HydrophobicContact CG-CB 4.28Å; C386-A411 VanDerWaalsContact SG-CB 3.55Å; A411-F413 VanDerWaalsContact C-N 3.31Å; A411-F413 PolarHBondContact O-N 3.22Å; A411-G427 CarbonylContact O-C 3.59Å; A411-G427 WeakPolarHBondContact O-CA 3.47Å; A411-S428 PolarHBondContact N-O 2.62Å; A411-S428 PolarHBondContact O-N 2.87Å
412	R	92.7	Very high	94.6	Very high	103 Å²	103	40.9 Å²	40.9	39%	0.389	21%	0.211	S	C	.	.	S	Bend	trans	58.9	42.4	176	-59.5	178.5	179.1	-173.6	0.2	112.3	G365 Y381 C459 N460	G365-R412 PolarHBondContact O-N 2.98Å; Y381-R412 HydrophobicContact CE1-CG 4.28Å; R412-C459 HydrophobicContact CB-CB 4.42Å; R412-N460 WeakPolarHBondContact CB-OD1 3.33Å; R412-N460 WeakPolarHBondContact O-CA 3.39Å; R412-N460 PolarHBondContact O-N 3.39Å
413	F	93.3	Very high	94.5	Very high	11 Å²	11	36.2 Å²	36.2	5%	0.048	19%	0.191	C	C	.	.			trans	-129.2	159.4	176.4	72.5	-79	0	0	0	109.3	A378 M406 R410 A411 M415 V424	A378-F413 HydrophobicContact CB-CZ 4.25Å; A378-F413 VanDerWaalsContact O-CZ 3.26Å; A378-F413 WeakPolarHBondContact O-CZ 3.3Å; M406-F413 HydrophobicContact CE-CZ 4.45Å; M406-F413 HydrophobicContact SD-CZ 4.36Å; R410-F413 HydrophobicContact CB-CD1 4.2Å; R410-F413 HydrophobicContact CB-CE1 4.07Å; R410-F413 HydrophobicContact CG-CB 4.46Å; R410-F413 HydrophobicContact CG-CD1 3.51Å; R410-F413 HydrophobicContact CG-CE1 3.85Å; R410-F413 HydrophobicContact CG-CG 3.98Å; R410-F413 VanDerWaalsContact O-CE1 3.27Å; R410-F413 WeakPolarHBondContact O-CE1 3.3Å; A411-F413 VanDerWaalsContact C-N 3.31Å; A411-F413 PolarHBondContact O-N 3.22Å; F413-M415 HydrophobicContact CE2-CB 4.22Å; F413-V424 HydrophobicContact CD2-CB 3.76Å; F413-V424 HydrophobicContact CD2-CG1 4.02Å; F413-V424 HydrophobicContact CE2-CB 3.54Å; F413-V424 HydrophobicContact CE2-CG1 3.34Å; F413-V424 HydrophobicContact CZ-CB 4.38Å; F413-V424 HydrophobicContact CZ-CG1 4.12Å
414	Q	94.8	Very high	94.5	Very high	48 Å²	48	34.8 Å²	34.8	22%	0.224	18%	0.183	C	C	.	.			trans	-105.8	146.2	167.1	-166.5	176	11.9	0	0	108.9	V463 V512	Q414-V463 HydrophobicContact CB-CB 4.02Å; Q414-V463 HydrophobicContact CB-CG2 4.22Å; Q414-V463 WeakPolarHBondContact O-CB 3.34Å; Q414-V463 WeakPolarHBondContact O-CG2 3.35Å; Q414-V463 PolarHBondContact OE1-O 2.86Å; Q414-V512 PolarHBondContact NE2-O 2.81Å
415	M	96.4	Very high	94.2	Very high	9 Å²	9	34 Å²	34	4%	0.044	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.9	177.4	-176.5	162.7	64.6	0	0	109.6	A369 I376 A378 F413 L422 Y423 V424	A369-M415 HydrophobicContact CB-CE 3.57Å; A369-M415 HydrophobicContact CB-CG 4.48Å; I376-M415 HydrophobicContact CB-CE 4.2Å; I376-M415 HydrophobicContact CG2-CE 4.16Å; A378-M415 HydrophobicContact CB-CE 4.34Å; A378-M415 HydrophobicContact CB-SD 4.09Å; F413-M415 HydrophobicContact CE2-CB 4.22Å; M415-L422 HydrophobicContact CE-CD1 4.44Å; M415-L422 HydrophobicContact CG-CB 4.34Å; M415-L422 HydrophobicContact SD-CB 3.91Å; M415-L422 HydrophobicContact SD-CD1 3.98Å; M415-L422 HydrophobicContact SD-CD2 4.29Å; M415-L422 HydrophobicContact SD-CG 4.28Å; M415-Y423 WeakPolarHBondContact CA-O 3.36Å; M415-V424 HydrophobicContact CB-CG1 4.27Å; M415-V424 HydrophobicContact CG-CG1 3.93Å; M415-V424 HydrophobicContact SD-CG1 3.86Å
416	A	96.4	Very high	93.8	Very high	6 Å²	6	31.6 Å²	31.6	5%	0.05	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.4	174.3	0	0	0	0	0	111	Y423 V463 L470	A416-Y423 PolarHBondContact N-O 3.49Å; A416-Y423 VanDerWaalsContact N-O 3.09Å; A416-Y423 PolarHBondContact O-N 3.18Å; A416-V463 HydrophobicContact CB-CG1 3.99Å; A416-L470 HydrophobicContact CB-CD1 3.62Å
417	V	96.3	Very high	93.5	Very high	49 Å²	49	31.6 Å²	31.6	30%	0.297	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.8	170.8	-172.1	0	0	0	0	108.4	A369 L371 Q421 L422 S465	A369-V417 HydrophobicContact CB-CG2 3.59Å; L371-V417 HydrophobicContact CD1-CG1 4.46Å; V417-Q421 WeakPolarHBondContact CA-O 3.06Å; V417-L422 HydrophobicContact CG2-CD2 3.89Å; V417-S465 VanDerWaalsContact O-CB 3.24Å; V417-S465 WeakPolarHBondContact O-CB 3.35Å; V417-S465 PolarHBondContact O-OG 3.33Å
418	L	95.8	Very high	93.3	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.031	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	122.1	177.4	176.7	61.2	0	0	0	109	G420 Q421 Y423 L470 P492	L418-G420 PolarHBondContact O-N 3.46Å; L418-Q421 PolarHBondContact N-O 3.37Å; L418-Q421 PolarHBondContact O-N 2.98Å; L418-Y423 HydrophobicContact CB-CD2 3.83Å; L418-Y423 HydrophobicContact CB-CE2 3.81Å; L418-Y423 HydrophobicContact CD2-CE2 4.27Å; L418-Y423 HydrophobicContact CG-CE2 4.31Å; L418-L470 HydrophobicContact CD2-CB 4.03Å; L418-P492 HydrophobicContact CD2-CB 4.32Å; L418-P492 HydrophobicContact CD2-CG 3.89Å
419	M	93.2	Very high	93.1	Very high	106 Å²	106	25.3 Å²	25.3	52%	0.522	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	37.6	-179.3	-56.6	-179.9	-178.3	0	0	113.5	Q421 N468 P492	M419-Q421 VanDerWaalsContact C-N 3.3Å; M419-Q421 PolarHBondContact O-N 3.32Å; M419-N468 HydrophobicContact CE-CB 3.56Å; M419-P492 HydrophobicContact CE-CG 4.1Å; M419-P492 HydrophobicContact SD-CG 4.42Å
420	G	93.3	Very high	92.3	Very high	39 Å²	39	26 Å²	26	40%	0.402	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	9.5	179.8	0	0	0	0	0	115.2	L371 L418	L371-G420 WeakPolarHBondContact CD1-O 3.08Å; L418-G420 PolarHBondContact O-N 3.46Å
421	Q	95.6	Very high	91	Very high	44 Å²	44	32.9 Å²	32.9	21%	0.206	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	151.9	177.6	-63.8	176.2	-41.5	0	0	110.5	V417 L418 M419 Y423 M440	V417-Q421 WeakPolarHBondContact CA-O 3.06Å; L418-Q421 PolarHBondContact N-O 3.37Å; L418-Q421 PolarHBondContact O-N 2.98Å; M419-Q421 VanDerWaalsContact C-N 3.3Å; M419-Q421 PolarHBondContact O-N 3.32Å; Q421-Y423 HydrophobicContact CB-CD2 4.43Å; Q421-Y423 HydrophobicContact CB-CE2 3.83Å; Q421-Y423 PolarHBondContact OE1-OH 2.87Å; Q421-M440 HydrophobicContact CB-CG 4.1Å; Q421-M440 HydrophobicContact CG-SD 4.49Å; Q421-M440 PolarHBondContact NE2-SD 3.46Å; Q421-M440 VanDerWaalsContact NE2-SD 3.44Å; Q421-M440 PolarHBondContact OE1-SD 3.25Å
422	L	97.4	Very high	89.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.9	175.1	-49.8	173.7	0	0	0	109.5	A369 L371 I376 M415 V417 M440 Y441 W448	A369-L422 HydrophobicContact CB-CD2 3.98Å; L371-L422 HydrophobicContact CB-CD2 4.23Å; L371-L422 HydrophobicContact CD2-CD1 4.11Å; L371-L422 HydrophobicContact CD2-CD2 4.05Å; L371-L422 HydrophobicContact CD2-CG 3.91Å; I376-L422 HydrophobicContact CB-CD1 4.38Å; I376-L422 HydrophobicContact CG1-CD1 4.27Å; I376-L422 HydrophobicContact CG2-CD1 3.89Å; M415-L422 HydrophobicContact CE-CD1 4.44Å; M415-L422 HydrophobicContact CG-CB 4.34Å; M415-L422 HydrophobicContact SD-CB 3.91Å; M415-L422 HydrophobicContact SD-CD1 3.98Å; M415-L422 HydrophobicContact SD-CD2 4.29Å; M415-L422 HydrophobicContact SD-CG 4.28Å; V417-L422 HydrophobicContact CG2-CD2 3.89Å; L422-M440 CarbonylContact O-C 3.58Å; L422-M440 WeakPolarHBondContact O-CA 3.32Å; L422-Y441 HydrophobicContact CD1-CD1 3.94Å; L422-Y441 HydrophobicContact CD1-CG 4.38Å; L422-Y441 HydrophobicContact CG-CD1 4.22Å; L422-Y441 PolarHBondContact N-O 2.89Å; L422-Y441 PolarHBondContact O-N 2.89Å; L422-W448 HydrophobicContact CB-CH2 4.4Å
423	Y	96.3	Very high	87.8	Confident	6 Å²	6	38.4 Å²	38.4	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.6	173.9	-73.3	-102.5	0	0	0	109.8	M415 A416 L418 Q421 M440 V451 L470 F490	M415-Y423 WeakPolarHBondContact CA-O 3.36Å; A416-Y423 PolarHBondContact N-O 3.49Å; A416-Y423 VanDerWaalsContact N-O 3.09Å; A416-Y423 PolarHBondContact O-N 3.18Å; L418-Y423 HydrophobicContact CB-CD2 3.83Å; L418-Y423 HydrophobicContact CB-CE2 3.81Å; L418-Y423 HydrophobicContact CD2-CE2 4.27Å; L418-Y423 HydrophobicContact CG-CE2 4.31Å; Q421-Y423 HydrophobicContact CB-CD2 4.43Å; Q421-Y423 HydrophobicContact CB-CE2 3.83Å; Q421-Y423 PolarHBondContact OE1-OH 2.87Å; Y423-M440 HydrophobicContact CD1-CB 4.15Å; Y423-M440 HydrophobicContact CD1-CG 4.33Å; Y423-M440 HydrophobicContact CD2-CG 4.42Å; Y423-M440 HydrophobicContact CE1-CB 3.94Å; Y423-M440 HydrophobicContact CE1-CE 4.03Å; Y423-M440 HydrophobicContact CE1-CG 3.86Å; Y423-M440 HydrophobicContact CE2-CG 3.94Å; Y423-M440 WeakPolarHBondContact OH-CE 3.44Å; Y423-V451 HydrophobicContact CD1-CG1 4.2Å; Y423-V451 HydrophobicContact CE1-CG1 3.94Å; Y423-L470 HydrophobicContact CD1-CD2 4.01Å; Y423-L470 HydrophobicContact CG-CD2 4.09Å; Y423-F490 HydrophobicContact CE1-CE1 4.35Å
424	V	94.6	Very high	86.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.2	173.8	-55.2	0	0	0	0	108.5	M406 F413 M415 G438 E439 W448	M406-V424 HydrophobicContact SD-CG1 4.45Å; M406-V424 HydrophobicContact SD-CG2 3.91Å; F413-V424 HydrophobicContact CD2-CB 3.76Å; F413-V424 HydrophobicContact CD2-CG1 4.02Å; F413-V424 HydrophobicContact CE2-CB 3.54Å; F413-V424 HydrophobicContact CE2-CG1 3.34Å; F413-V424 HydrophobicContact CZ-CB 4.38Å; F413-V424 HydrophobicContact CZ-CG1 4.12Å; M415-V424 HydrophobicContact CB-CG1 4.27Å; M415-V424 HydrophobicContact CG-CG1 3.93Å; M415-V424 HydrophobicContact SD-CG1 3.86Å; V424-G438 CarbonylContact O-C 3.53Å; V424-G438 WeakPolarHBondContact O-CA 3.41Å; V424-E439 HydrophobicContact CG2-CB 3.75Å; V424-E439 PolarHBondContact N-O 3.43Å; V424-E439 PolarHBondContact O-N 3.45Å; V424-W448 HydrophobicContact CB-CZ3 4.31Å; V424-W448 HydrophobicContact CG1-CH2 3.69Å; V424-W448 HydrophobicContact CG1-CZ3 3.75Å; V424-W448 HydrophobicContact CG2-CE3 4.27Å; V424-W448 HydrophobicContact CG2-CH2 4.26Å; V424-W448 HydrophobicContact CG2-CZ3 3.6Å
425	I	91.6	Very high	85.5	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	134	-173	-52.9	-63.1	0	0	0	109.7	V451 L454 V463 L470 V472 W497	I425-V451 HydrophobicContact CD1-CG2 3.68Å; I425-L454 HydrophobicContact CG2-CD1 3.43Å; I425-L454 VanDerWaalsContact CG2-CD1 3.43Å; I425-L454 HydrophobicContact CG2-CD2 3.97Å; I425-L454 HydrophobicContact CG2-CG 3.67Å; I425-V463 HydrophobicContact CB-CG2 4.28Å; I425-V463 HydrophobicContact CG1-CG1 4.37Å; I425-L470 HydrophobicContact CD1-CD2 3.85Å; I425-L470 HydrophobicContact CG1-CD2 3.5Å; I425-L470 VanDerWaalsContact CG1-CD2 3.5Å; I425-V472 HydrophobicContact CB-CG2 4.36Å; I425-V472 HydrophobicContact CG2-CG2 3.9Å; I425-W497 HydrophobicContact CG2-CH2 4.21Å
426	G	89	Confident	84.5	Confident	2 Å²	2	38.5 Å²	38.5	2%	0.021	24%	0.236	C	C	.	.			trans	70.2	-156.8	177.1	0	0	0	0	0	113.7	R410 L435 S437 R458	R410-G426 WeakPolarHBondContact CD-O 3.47Å; R410-G426 WeakPolarHBondContact CG-O 3.46Å; R410-G426 PolarHBondContact NH1-O 2.97Å; G426-L435 WeakPolarHBondContact CA-O 3.08Å; G426-S437 PolarHBondContact N-O 2.95Å; G426-R458 CarbonylContact C-O 3.54Å; G426-R458 VanDerWaalsContact CA-O 3.31Å; G426-R458 WeakPolarHBondContact CA-O 3.48Å
427	G	89.3	Confident	83.7	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.01	24%	0.24	C	C	.	.			trans	95.9	-164	-176.6	0	0	0	0	0	113.3	A411 L435 R458	A411-G427 CarbonylContact O-C 3.59Å; A411-G427 WeakPolarHBondContact O-CA 3.47Å; G427-L435 PolarHBondContact O-N 2.95Å; G427-R458 PolarHBondContact N-O 3.19Å
428	S	87	Confident	83.3	Confident	23 Å²	23	36.9 Å²	36.9	16%	0.161	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-135.2	146.2	-176	60.9	0	0	0	0	111.8	C386 A411	C386-S428 PolarHBondContact SG-O 2.91Å; A411-S428 PolarHBondContact N-O 2.62Å; A411-S428 PolarHBondContact O-N 2.87Å
429	N	84.5	Confident	83.2	Confident	29 Å²	29	36.9 Å²	36.9	16%	0.155	23%	0.226	C	C	.	.			trans	-101.1	7.7	-177.8	67.9	5.9	0	0	0	114.8	P409 H431 D433 L435	P409-N429 VanDerWaalsContact O-CA 3.27Å; P409-N429 WeakPolarHBondContact O-CA 3.47Å; P409-N429 VanDerWaalsContact O-CB 3.29Å; P409-N429 WeakPolarHBondContact O-CB 3.33Å; N429-H431 PolarHBondContact O-ND1 2.97Å; N429-H431 PolarHBondContact OD1-N 3.47Å; N429-D433 PolarHBondContact OD1-O 3.3Å; N429-L435 HydrophobicContact CB-CD1 4.31Å; N429-L435 HydrophobicContact CB-CD2 4.22Å; N429-L435 HydrophobicContact CB-CG 4.45Å
430	G	74.3	Confident	83.3	Confident	59 Å²	59	33.6 Å²	33.6	61%	0.608	21%	0.21	S	C	*	.	S	Bend	trans	85.6	-7	-178.5	0	0	0	0	0	116
431	H	65.8	Low	83.5	Confident	143 Å²	143	32.2 Å²	32.2	66%	0.662	19%	0.193	S	C	*	.	S	Bend	trans	-109.8	37.6	-174.9	-66.6	84	0	0	0	113.9	N429 D433	N429-H431 PolarHBondContact O-ND1 2.97Å; N429-H431 PolarHBondContact OD1-N 3.47Å; H431-D433 PolarHBondContact O-N 3.36Å
432	S	58.6	Low	83.4	Confident	125 Å²	125	32.2 Å²	32.2	87%	0.874	19%	0.194	S	C	*	.	S	Bend	trans	59	-0.5	-171.8	61.8	0	0	0	0	116.3
433	D	59.9	Low	83.2	Confident	97 Å²	97	33.9 Å²	33.9	52%	0.519	21%	0.205	S	C	.	.			trans	-91.2	115.8	175.2	-66.2	-31.3	0	0	0	110.8	N429 H431	N429-D433 PolarHBondContact OD1-O 3.3Å; H431-D433 PolarHBondContact O-N 3.36Å
434	E	68.9	Low	83.1	Confident	26 Å²	26	41.7 Å²	41.7	12%	0.121	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-77.9	134.2	163.7	-66.9	-167.9	173	0	0	110.3	N457 C459 D477 P478	E434-N457 HydrophobicContact CB-CB 3.98Å; E434-N457 PolarHBondContact O-ND2 3.16Å; E434-C459 HydrophobicContact CG-CB 4.43Å; E434-C459 PolarHBondContact OE1-SG 3.28Å; E434-D477 VanDerWaalsContact OE2-C 3.22Å; E434-P478 HydrophobicContact CB-CG 4.39Å; E434-P478 WeakPolarHBondContact OE1-CA 3.31Å; E434-P478 WeakPolarHBondContact OE2-CA 3.49Å; E434-P478 WeakPolarHBondContact OE2-CD 3.32Å; E434-P478 WeakPolarHBondContact OE2-CG 3.45Å
435	L	71.7	Confident	83.1	Confident	20 Å²	20	45.4 Å²	45.4	11%	0.105	26%	0.264	C	S	.	.			trans	-84.6	128.8	-174.5	-59.7	174.9	0	0	0	110.5	R410 G426 G427 N429	R410-L435 HydrophobicContact CB-CD1 4.43Å; R410-L435 HydrophobicContact CG-CD1 4.05Å; G426-L435 WeakPolarHBondContact CA-O 3.08Å; G427-L435 PolarHBondContact O-N 2.95Å; N429-L435 HydrophobicContact CB-CD1 4.31Å; N429-L435 HydrophobicContact CB-CD2 4.22Å; N429-L435 HydrophobicContact CB-CG 4.45Å
436	S	74.8	Confident	83.2	Confident	24 Å²	24	48.8 Å²	48.8	17%	0.168	28%	0.283	C	S	.	.			trans	-88.5	-14.4	157.3	31.4	0	0	0	0	112.4	E453 L454 N457	S436-E453 WeakPolarHBondContact O-CA 3.44Å; S436-L454 PolarHBondContact O-N 3.49Å; S436-N457 WeakPolarHBondContact CB-OD1 3.24Å; S436-N457 PolarHBondContact OG-OD1 3.35Å
437	S	79.9	Confident	83.5	Confident	20 Å²	20	54 Å²	54	14%	0.14	31%	0.306	C	S	.	.			trans	-68.7	144.6	179.5	67.6	0	0	0	0	110.9	R410 G426	R410-S437 PolarHBondContact NH1-O 2.8Å; R410-S437 PolarHBondContact NH2-OG 3.48Å; G426-S437 PolarHBondContact N-O 2.95Å
438	G	87.1	Confident	83.9	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	158.4	163.9	0	0	0	0	0	110.4	V424 V451	V424-G438 CarbonylContact O-C 3.53Å; V424-G438 WeakPolarHBondContact O-CA 3.41Å; G438-V451 VanDerWaalsContact CA-CG2 3.43Å; G438-V451 WeakPolarHBondContact O-CG2 3.45Å; G438-V451 PolarHBondContact O-N 3.37Å
439	E	93.8	Very high	84.2	Confident	5 Å²	5	56.2 Å²	56.2	2%	0.023	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.2	174.3	-57	174.1	-124.8	0	0	109.7	R407 T408 R410 V424 W448 V449	R407-E439 VanDerWaalsContact CB-OE2 3.3Å; R407-E439 WeakPolarHBondContact CB-OE2 3.27Å; R407-E439 WeakPolarHBondContact CG-OE2 3.47Å; R407-E439 PolarHBondContact N-OE2 2.93Å; T408-E439 PolarHBondContact OG1-OE1 3.01Å; R410-E439 IonicContact CZ-OE1 2.81Å; R410-E439 IonicContact NE-OE1 2.86Å; R410-E439 IonicContact NH2-OE1 3.12Å; R410-E439 PolarHBondContact NH2-OE1 3.42Å; V424-E439 HydrophobicContact CG2-CB 3.75Å; V424-E439 PolarHBondContact N-O 3.43Å; V424-E439 PolarHBondContact O-N 3.45Å; E439-W448 HydrophobicContact CB-CE3 3.64Å; E439-W448 HydrophobicContact CB-CZ3 4.24Å; E439-V449 CarbonylContact C-O 3.51Å; E439-V449 WeakPolarHBondContact CA-O 3.23Å
440	M	95.8	Very high	84.5	Confident	37 Å²	37	59.9 Å²	59.9	18%	0.182	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.3	175.6	176.7	-145.8	-45.5	0	0	108.5	Q421 L422 Y423 W448 V449 V451	Q421-M440 HydrophobicContact CB-CG 4.1Å; Q421-M440 HydrophobicContact CG-SD 4.49Å; Q421-M440 PolarHBondContact NE2-SD 3.46Å; Q421-M440 VanDerWaalsContact NE2-SD 3.44Å; Q421-M440 PolarHBondContact OE1-SD 3.25Å; L422-M440 CarbonylContact O-C 3.58Å; L422-M440 WeakPolarHBondContact O-CA 3.32Å; Y423-M440 HydrophobicContact CD1-CB 4.15Å; Y423-M440 HydrophobicContact CD1-CG 4.33Å; Y423-M440 HydrophobicContact CD2-CG 4.42Å; Y423-M440 HydrophobicContact CE1-CB 3.94Å; Y423-M440 HydrophobicContact CE1-CE 4.03Å; Y423-M440 HydrophobicContact CE1-CG 3.86Å; Y423-M440 HydrophobicContact CE2-CG 3.94Å; Y423-M440 WeakPolarHBondContact OH-CE 3.44Å; M440-W448 CarbonylContact O-C 3.53Å; M440-W448 WeakPolarHBondContact O-CA 3.44Å; M440-V449 PolarHBondContact N-O 3.18Å; M440-V449 PolarHBondContact O-N 3.36Å; M440-V451 HydrophobicContact CB-CG1 3.61Å; M440-V451 HydrophobicContact CE-CG1 3.88Å
441	Y	97.6	Very high	85.2	Confident	11 Å²	11	57.4 Å²	57.4	4%	0.043	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.5	172.4	179.3	-106.2	0	0	0	110.7	L371 M403 A404 L422 P443 D446 W448	L371-Y441 HydrophobicContact CD2-CD1 4.34Å; L371-Y441 HydrophobicContact CD2-CE1 4.36Å; M403-Y441 HydrophobicContact CE-CD1 4.03Å; M403-Y441 HydrophobicContact CE-CE1 3.18Å; M403-Y441 HydrophobicContact CE-CE2 4.04Å; M403-Y441 WeakPolarHBondContact CE-OH 3.2Å; A404-Y441 HydrophobicContact CB-CE2 4.34Å; L422-Y441 HydrophobicContact CD1-CD1 3.94Å; L422-Y441 HydrophobicContact CD1-CG 4.38Å; L422-Y441 HydrophobicContact CG-CD1 4.22Å; L422-Y441 PolarHBondContact N-O 2.89Å; L422-Y441 PolarHBondContact O-N 2.89Å; Y441-P443 HydrophobicContact CD1-CB 4.48Å; Y441-P443 HydrophobicContact CE1-CB 3.89Å; Y441-D446 WeakPolarHBondContact CE2-OD1 3.22Å; Y441-D446 VanDerWaalsContact CZ-OD1 3.29Å; Y441-D446 PolarHBondContact OH-OD1 3.47Å; Y441-W448 AromaticContact CD2-CD1 3.88Å; Y441-W448 HydrophobicContact CD2-CD2 4.16Å; Y441-W448 AromaticContact CD2-CE2 3.77Å; Y441-W448 HydrophobicContact CD2-CG 4.25Å; Y441-W448 HydrophobicContact CD2-CZ2 4.27Å; Y441-W448 AromaticContact CD2-NE1 3.57Å; Y441-W448 HydrophobicContact CG-CD2 4.48Å; Y441-W448 HydrophobicContact CG-CZ2 4.23Å
442	D	93.6	Very high	86	Confident	43 Å²	43	52.9 Å²	52.9	23%	0.23	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	111	170.5	-171.7	-15.8	0	0	0	110.1	Q444 T445 D446 E447	D442-Q444 PolarHBondContact O-N 3.25Å; D442-Q444 WeakPolarHBondContact OD1-CB 3.48Å; D442-Q444 PolarHBondContact OD1-N 3.14Å; D442-T445 PolarHBondContact O-N 2.72Å; D442-D446 WeakPolarHBondContact O-CA 3.29Å; D442-D446 PolarHBondContact O-N 2.94Å; D442-E447 PolarHBondContact N-O 3.48Å; D442-E447 PolarHBondContact O-N 3.27Å
443	P	93.4	Very high	87.1	Confident	35 Å²	35	52.4 Å²	52.4	23%	0.227	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.9	-179.5	28.7	-35.1	0	0	0	114	L371 Y441	L371-P443 HydrophobicContact CD2-CB 4.23Å; Y441-P443 HydrophobicContact CD1-CB 4.48Å; Y441-P443 HydrophobicContact CE1-CB 3.89Å
444	Q	93	Very high	87.9	Confident	171 Å²	171	48.2 Å²	48.2	80%	0.799	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-34.1	178.2	-62.4	-61	-33	0	0	112	D442	D442-Q444 PolarHBondContact O-N 3.25Å; D442-Q444 WeakPolarHBondContact OD1-CB 3.48Å; D442-Q444 PolarHBondContact OD1-N 3.14Å
445	T	94.6	Very high	88	Confident	77 Å²	77	55.7 Å²	55.7	47%	0.472	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-10.8	-178.9	61.4	0	0	0	0	113.1	D442 E447	D442-T445 PolarHBondContact O-N 2.72Å; T445-E447 VanDerWaalsContact C-N 3.32Å
446	D	95.2	Very high	87.9	Confident	75 Å²	75	57.7 Å²	57.7	40%	0.401	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	50.9	-168.8	-170	33.9	0	0	0	111.2	A404 Y441 D442	A404-D446 WeakPolarHBondContact CB-O 3.4Å; A404-D446 WeakPolarHBondContact CB-OD1 3.39Å; A404-D446 PolarHBondContact N-OD1 3.12Å; A404-D446 VanDerWaalsContact N-OD1 3.1Å; Y441-D446 WeakPolarHBondContact CE2-OD1 3.22Å; Y441-D446 VanDerWaalsContact CZ-OD1 3.29Å; Y441-D446 PolarHBondContact OH-OD1 3.47Å; D442-D446 WeakPolarHBondContact O-CA 3.29Å; D442-D446 PolarHBondContact O-N 2.94Å
447	E	95.5	Very high	87.9	Confident	111 Å²	111	59.3 Å²	59.3	52%	0.519	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.9	180	-68.3	-167	164.3	0	0	112.6	D442 T445	D442-E447 PolarHBondContact N-O 3.48Å; D442-E447 PolarHBondContact O-N 3.27Å; T445-E447 VanDerWaalsContact C-N 3.32Å
448	W	96.9	Very high	88.1	Confident	8 Å²	8	58.5 Å²	58.5	3%	0.03	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.4	168.7	-69.4	86.7	0	0	0	110.6	V390 A404 M406 R407 L422 V424 E439 M440 Y441	V390-W448 HydrophobicContact CG2-CZ2 3.81Å; A404-W448 VanDerWaalsContact O-CD1 3.28Å; A404-W448 PolarHBondContact O-NE1 3.22Å; M406-W448 HydrophobicContact CG-CD2 3.89Å; M406-W448 HydrophobicContact CG-CE3 4.2Å; M406-W448 HydrophobicContact CG-CG 4.47Å; M406-W448 HydrophobicContact CG-CH2 4.09Å; M406-W448 HydrophobicContact CG-CZ2 3.78Å; M406-W448 HydrophobicContact CG-CZ3 4.3Å; M406-W448 HydrophobicContact SD-CH2 4.45Å; R407-W448 HydrophobicContact CG-CB 4.44Å; R407-W448 VanDerWaalsContact CZ-O 3.29Å; R407-W448 PolarHBondContact NE-O 3.36Å; R407-W448 PolarHBondContact NH2-O 3.2Å; L422-W448 HydrophobicContact CB-CH2 4.4Å; V424-W448 HydrophobicContact CB-CZ3 4.31Å; V424-W448 HydrophobicContact CG1-CH2 3.69Å; V424-W448 HydrophobicContact CG1-CZ3 3.75Å; V424-W448 HydrophobicContact CG2-CE3 4.27Å; V424-W448 HydrophobicContact CG2-CH2 4.26Å; V424-W448 HydrophobicContact CG2-CZ3 3.6Å; E439-W448 HydrophobicContact CB-CE3 3.64Å; E439-W448 HydrophobicContact CB-CZ3 4.24Å; M440-W448 CarbonylContact O-C 3.53Å; M440-W448 WeakPolarHBondContact O-CA 3.44Å; Y441-W448 AromaticContact CD2-CD1 3.88Å; Y441-W448 HydrophobicContact CD2-CD2 4.16Å; Y441-W448 AromaticContact CD2-CE2 3.77Å; Y441-W448 HydrophobicContact CD2-CG 4.25Å; Y441-W448 HydrophobicContact CD2-CZ2 4.27Å; Y441-W448 AromaticContact CD2-NE1 3.57Å; Y441-W448 HydrophobicContact CG-CD2 4.48Å; Y441-W448 HydrophobicContact CG-CZ2 4.23Å
449	V	93.6	Very high	88.1	Confident	63 Å²	63	58.6 Å²	58.6	38%	0.382	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.2	178	-174.9	0	0	0	0	109.5	E439 M440	E439-V449 CarbonylContact C-O 3.51Å; E439-V449 WeakPolarHBondContact CA-O 3.23Å; M440-V449 PolarHBondContact N-O 3.18Å; M440-V449 PolarHBondContact O-N 3.36Å
450	Q	90.9	Very high	88	Confident	107 Å²	107	59.2 Å²	59.2	50%	0.5	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	133.3	178.4	-172.9	172.8	-13.4	0	0	110.8
451	V	88.9	Confident	87.9	Confident	6 Å²	6	57.8 Å²	57.8	4%	0.036	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	158.4	171.5	-62.2	0	0	0	0	110.9	Y423 I425 G438 M440 E453	Y423-V451 HydrophobicContact CD1-CG1 4.2Å; Y423-V451 HydrophobicContact CE1-CG1 3.94Å; I425-V451 HydrophobicContact CD1-CG2 3.68Å; G438-V451 VanDerWaalsContact CA-CG2 3.43Å; G438-V451 WeakPolarHBondContact O-CG2 3.45Å; G438-V451 PolarHBondContact O-N 3.37Å; M440-V451 HydrophobicContact CB-CG1 3.61Å; M440-V451 HydrophobicContact CE-CG1 3.88Å; V451-E453 PolarHBondContact O-N 3.47Å
452	P	82.9	Confident	87.8	Confident	49 Å²	49	57.4 Å²	57.4	32%	0.318	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-51.4	133.1	178.5	-28.4	36.2	0	0	0	112.8	F490 K495 W497	P452-F490 HydrophobicContact CB-CE2 4.22Å; P452-F490 HydrophobicContact CG-CE2 3.94Å; P452-F490 HydrophobicContact CG-CZ 4.18Å; P452-K495 HydrophobicContact CG-CB 4.15Å; P452-W497 PolarHBondContact O-NE1 3.02Å
453	E	81.9	Confident	87.8	Confident	115 Å²	115	55.4 Å²	55.4	54%	0.537	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-60.9	144.4	-175.5	-66.6	176.4	179	0	0	112.3	S436 V451 W497	S436-E453 WeakPolarHBondContact O-CA 3.44Å; V451-E453 PolarHBondContact O-N 3.47Å; E453-W497 PolarHBondContact O-NE1 3.27Å
454	L	76.3	Confident	88	Confident	9 Å²	9	54.2 Å²	54.2	5%	0.047	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-60.6	144.2	167.1	-77.2	172.1	0	0	0	110.2	I425 S436 T456 V472 W497	I425-L454 HydrophobicContact CG2-CD1 3.43Å; I425-L454 VanDerWaalsContact CG2-CD1 3.43Å; I425-L454 HydrophobicContact CG2-CD2 3.97Å; I425-L454 HydrophobicContact CG2-CG 3.67Å; S436-L454 PolarHBondContact O-N 3.49Å; L454-T456 WeakPolarHBondContact CB-O 3.47Å; L454-T456 PolarHBondContact O-N 2.81Å; L454-T456 VanDerWaalsContact O-N 3.15Å; L454-V472 HydrophobicContact CD2-CG2 4.27Å; L454-W497 HydrophobicContact CD2-CD2 4.24Å; L454-W497 HydrophobicContact CD2-CE3 4Å; L454-W497 HydrophobicContact CD2-CH2 3.29Å; L454-W497 HydrophobicContact CD2-CZ2 3.54Å; L454-W497 HydrophobicContact CD2-CZ3 3.52Å; L454-W497 HydrophobicContact CG-CH2 4.24Å; L454-W497 HydrophobicContact CG-CZ2 4.13Å
455	R	70.4	Confident	88.2	Confident	182 Å²	182	47.8 Å²	47.8	69%	0.687	25%	0.246	S	C	*	.	S	Bend	trans	-62.6	-20.6	172.6	-64.5	178.9	-176.8	-100.5	2.2	113.2	W497	R455-W497 PolarHBondContact NH2-O 2.86Å; R455-W497 VanDerWaalsContact NH2-O 3.14Å
456	T	70.1	Confident	88.3	Confident	62 Å²	62	44.3 Å²	44.3	38%	0.38	22%	0.224	S	C	.	.	S	Bend	trans	-142.4	130.1	-178.4	-43.4	0	0	0	0	108.6	L454 R458	L454-T456 WeakPolarHBondContact CB-O 3.47Å; L454-T456 PolarHBondContact O-N 2.81Å; L454-T456 VanDerWaalsContact O-N 3.15Å; T456-R458 PolarHBondContact O-N 3.47Å
457	N	75.1	Confident	88.3	Confident	58 Å²	58	45.2 Å²	45.2	31%	0.31	23%	0.229	S	C	.	.			trans	-60.8	131.8	171.8	-55.6	5.3	0	0	0	108.5	E434 S436 P478	E434-N457 HydrophobicContact CB-CB 3.98Å; E434-N457 PolarHBondContact O-ND2 3.16Å; S436-N457 WeakPolarHBondContact CB-OD1 3.24Å; S436-N457 PolarHBondContact OG-OD1 3.35Å; N457-P478 HydrophobicContact CB-CG 3.93Å
458	R	84.3	Confident	88.3	Confident	3 Å²	3	45.2 Å²	45.2	1%	0.011	23%	0.233	C	C	.	.			trans	-142.1	130.5	-179.3	-65.4	-179.6	-169.2	175.8	11.6	109.7	G426 G427 T456 A461 L484 N486 D488	G426-R458 CarbonylContact C-O 3.54Å; G426-R458 VanDerWaalsContact CA-O 3.31Å; G426-R458 WeakPolarHBondContact CA-O 3.48Å; G427-R458 PolarHBondContact N-O 3.19Å; T456-R458 PolarHBondContact O-N 3.47Å; R458-A461 HydrophobicContact CB-CB 4.2Å; R458-L484 HydrophobicContact CG-CD1 4.13Å; R458-N486 PolarHBondContact NH1-O 3.48Å; R458-D488 IonicContact CZ-OD2 3.85Å; R458-D488 IonicContact NH1-OD2 3.03Å; R458-D488 PolarHBondContact NH1-OD2 3.29Å; R458-D488 IonicContact NH2-OD1 3.9Å; R458-D488 IonicContact NH2-OD2 3.72Å; R458-D488 PolarHBondContact NH2-OD2 2.85Å
459	C	86.8	Confident	88.2	Confident	3 Å²	3	48 Å²	48	2%	0.02	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-110.2	162.2	162.2	75.3	0	0	0	0	110.8	R412 E434 A461 G475 S476	R412-C459 HydrophobicContact CB-CB 4.42Å; E434-C459 HydrophobicContact CG-CB 4.43Å; E434-C459 PolarHBondContact OE1-SG 3.28Å; C459-A461 PolarHBondContact O-N 3.21Å; C459-G475 CarbonylContact O-C 3.59Å; C459-G475 WeakPolarHBondContact O-CA 3.32Å; C459-S476 PolarHBondContact N-O 3.42Å; C459-S476 PolarHBondContact O-N 3.46Å; C459-S476 PolarHBondContact O-OG 2.87Å; C459-S476 PolarHBondContact SG-OG 3.49Å
460	N	90.7	Very high	88.3	Confident	18 Å²	18	45 Å²	45	10%	0.096	23%	0.227	C	C	.	.	S	Bend	trans	54.7	23.4	-178.5	-57.6	-63.3	0	0	0	114.4	R412 H508 Q509	R412-N460 WeakPolarHBondContact CB-OD1 3.33Å; R412-N460 WeakPolarHBondContact O-CA 3.39Å; R412-N460 PolarHBondContact O-N 3.39Å; N460-H508 HydrophobicContact CB-CB 4.11Å; N460-Q509 HydrophobicContact CB-CB 4.45Å; N460-Q509 HydrophobicContact CB-CG 3.57Å; N460-Q509 VanDerWaalsContact CG-CG 3.46Å; N460-Q509 PolarHBondContact O-N 2.89Å; N460-Q509 WeakPolarHBondContact OD1-CG 3.21Å
461	A	93.4	Very high	88.6	Confident	8 Å²	8	40.7 Å²	40.7	7%	0.066	21%	0.206	C	C	.	.			trans	-78.6	145	173	0	0	0	0	0	109.6	R458 C459 V472	R458-A461 HydrophobicContact CB-CB 4.2Å; C459-A461 PolarHBondContact O-N 3.21Å; A461-V472 HydrophobicContact CB-CG1 3.84Å
462	G	95.3	Very high	88.9	Confident	2 Å²	2	40.4 Å²	40.4	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	142.2	170.3	0	0	0	0	0	110.6	V472 V473	G462-V472 CarbonylContact O-C 3.59Å; G462-V472 WeakPolarHBondContact O-CA 3.45Å; G462-V473 PolarHBondContact N-O 3.36Å; G462-V473 PolarHBondContact O-N 2.91Å
463	V	95.6	Very high	89.5	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.5	-177.8	-174.9	0	0	0	0	108.4	Q414 A416 I425 L470 Y471 V472	Q414-V463 HydrophobicContact CB-CB 4.02Å; Q414-V463 HydrophobicContact CB-CG2 4.22Å; Q414-V463 WeakPolarHBondContact O-CB 3.34Å; Q414-V463 WeakPolarHBondContact O-CG2 3.35Å; Q414-V463 PolarHBondContact OE1-O 2.86Å; A416-V463 HydrophobicContact CB-CG1 3.99Å; I425-V463 HydrophobicContact CB-CG2 4.28Å; I425-V463 HydrophobicContact CG1-CG1 4.37Å; V463-L470 HydrophobicContact CG1-CD1 3.66Å; V463-L470 HydrophobicContact CG1-CD2 4.35Å; V463-L470 HydrophobicContact CG1-CG 4.04Å; V463-Y471 VanDerWaalsContact CA-O 3.32Å; V463-Y471 WeakPolarHBondContact CA-O 3.47Å; V463-V472 HydrophobicContact CG2-CG2 4.46Å
464	C	96	Very high	90	Very high	9 Å²	9	32.9 Å²	32.9	6%	0.061	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	146.5	-176.1	-177.9	0	0	0	0	111.1	Y471 V512 E514 M519	C464-Y471 PolarHBondContact N-O 3Å; C464-Y471 PolarHBondContact O-N 2.82Å; C464-V512 HydrophobicContact CB-CB 4.41Å; C464-V512 HydrophobicContact CB-CG1 3.56Å; C464-E514 PolarHBondContact SG-N 3.42Å; C464-E514 VanDerWaalsContact SG-N 3.36Å; C464-M519 HydrophobicContact CB-SD 4.22Å
465	S	96.9	Very high	90.8	Very high	36 Å²	36	32.5 Å²	32.5	25%	0.252	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	135	171.8	51.7	0	0	0	0	110.4	V417 K469 E514	V417-S465 VanDerWaalsContact O-CB 3.24Å; V417-S465 WeakPolarHBondContact O-CB 3.35Å; V417-S465 PolarHBondContact O-OG 3.33Å; S465-K469 WeakPolarHBondContact CA-O 3.17Å; S465-E514 WeakPolarHBondContact O-CB 3.46Å
466	L	97.1	Very high	91.6	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.026	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	132.7	175.4	170.4	65.9	0	0	0	108.7	N468 K469 Y471 E514 G517 M519 Y537 P539	L466-N468 VanDerWaalsContact C-N 3.29Å; L466-N468 PolarHBondContact O-N 3.2Å; L466-K469 PolarHBondContact N-O 3.24Å; L466-K469 PolarHBondContact O-N 2.7Å; L466-Y471 HydrophobicContact CB-CD2 3.87Å; L466-Y471 HydrophobicContact CB-CE2 3.71Å; L466-Y471 HydrophobicContact CD2-CE2 4.15Å; L466-Y471 HydrophobicContact CG-CE2 4.16Å; L466-E514 HydrophobicContact CB-CG 4.32Å; L466-E514 HydrophobicContact CD1-CG 3.62Å; L466-G517 WeakPolarHBondContact CD1-O 3.34Å; L466-M519 HydrophobicContact CD2-CB 4.04Å; L466-Y537 HydrophobicContact CD2-CD1 4.14Å; L466-Y537 HydrophobicContact CD2-CE1 4.39Å; L466-P539 HydrophobicContact CD2-CB 4.13Å; L466-P539 HydrophobicContact CD2-CG 4.01Å
467	N	95.1	Very high	91.6	Very high	93 Å²	93	23.5 Å²	23.5	50%	0.497	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	48.7	178.4	-64.4	-19.1	0	0	0	113.2	K469	N467-K469 PolarHBondContact O-N 2.8Å
468	N	95.1	Very high	90.8	Very high	111 Å²	111	24.2 Å²	24.2	59%	0.594	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	20.9	179.5	-68.8	-31.1	0	0	0	115.3	M419 L466 P492	M419-N468 HydrophobicContact CE-CB 3.56Å; L466-N468 VanDerWaalsContact C-N 3.29Å; L466-N468 PolarHBondContact O-N 3.2Å; N468-P492 WeakPolarHBondContact O-CD 3.37Å
469	K	96.1	Very high	89.7	Confident	68 Å²	68	29 Å²	29	30%	0.296	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	159.2	175.5	-63.6	178	-172.7	-74	0	110.1	S465 L466 N467 Y471 V489 F490 D491	S465-K469 WeakPolarHBondContact CA-O 3.17Å; L466-K469 PolarHBondContact N-O 3.24Å; L466-K469 PolarHBondContact O-N 2.7Å; N467-K469 PolarHBondContact O-N 2.8Å; K469-Y471 HydrophobicContact CB-CE2 4.1Å; K469-V489 HydrophobicContact CB-CG2 3.56Å; K469-V489 HydrophobicContact CD-CG2 3.75Å; K469-V489 HydrophobicContact CG-CG2 4.22Å; K469-F490 WeakPolarHBondContact CB-O 3.42Å; K469-D491 IonicContact NZ-OD2 2.99Å; K469-D491 PolarHBondContact NZ-OD2 2.98Å
470	L	95.9	Very high	88.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.5	177.9	-170.7	70.2	0	0	0	109.6	A416 L418 Y423 I425 V463 V489 F490	A416-L470 HydrophobicContact CB-CD1 3.62Å; L418-L470 HydrophobicContact CD2-CB 4.03Å; Y423-L470 HydrophobicContact CD1-CD2 4.01Å; Y423-L470 HydrophobicContact CG-CD2 4.09Å; I425-L470 HydrophobicContact CD1-CD2 3.85Å; I425-L470 HydrophobicContact CG1-CD2 3.5Å; I425-L470 VanDerWaalsContact CG1-CD2 3.5Å; V463-L470 HydrophobicContact CG1-CD1 3.66Å; V463-L470 HydrophobicContact CG1-CD2 4.35Å; V463-L470 HydrophobicContact CG1-CG 4.04Å; L470-V489 CarbonylContact O-C 3.55Å; L470-V489 WeakPolarHBondContact O-CA 3.37Å; L470-F490 HydrophobicContact CB-CB 4.21Å; L470-F490 HydrophobicContact CB-CD1 4.39Å; L470-F490 PolarHBondContact N-O 3.19Å; L470-F490 PolarHBondContact O-N 2.87Å
471	Y	96.3	Very high	86.7	Confident	15 Å²	15	35.2 Å²	35.2	6%	0.059	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	138.4	178.1	-72.1	-101.2	0	0	0	110.3	V463 C464 L466 K469 D488 V489 C500 M519 Y537	V463-Y471 VanDerWaalsContact CA-O 3.32Å; V463-Y471 WeakPolarHBondContact CA-O 3.47Å; C464-Y471 PolarHBondContact N-O 3Å; C464-Y471 PolarHBondContact O-N 2.82Å; L466-Y471 HydrophobicContact CB-CD2 3.87Å; L466-Y471 HydrophobicContact CB-CE2 3.71Å; L466-Y471 HydrophobicContact CD2-CE2 4.15Å; L466-Y471 HydrophobicContact CG-CE2 4.16Å; K469-Y471 HydrophobicContact CB-CE2 4.1Å; Y471-D488 CarbonylContact C-O 3.51Å; Y471-D488 WeakPolarHBondContact CA-O 3.25Å; Y471-V489 HydrophobicContact CD1-CB 3.99Å; Y471-V489 HydrophobicContact CD1-CG2 4.11Å; Y471-V489 HydrophobicContact CD2-CG2 4.1Å; Y471-V489 HydrophobicContact CE1-CB 3.83Å; Y471-V489 HydrophobicContact CE1-CG2 3.79Å; Y471-V489 HydrophobicContact CE2-CG2 3.76Å; Y471-V489 HydrophobicContact CG-CB 4.48Å; Y471-V489 HydrophobicContact CG-CG2 4.27Å; Y471-C500 HydrophobicContact CE1-CB 4.48Å; Y471-M519 HydrophobicContact CD1-CE 3.78Å; Y471-M519 HydrophobicContact CE1-CE 4.48Å; Y471-M519 HydrophobicContact CG-CE 3.95Å; Y471-M519 HydrophobicContact CG-SD 4.21Å; Y471-Y537 AromaticContact CE1-CE1 3.76Å; Y471-Y537 HydrophobicContact CE1-CE1 3.76Å
472	V	94.9	Very high	85.7	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	114.6	174.3	-177.9	0	0	0	0	108.2	I425 L454 A461 G462 V463 C487 D488 W497	I425-V472 HydrophobicContact CB-CG2 4.36Å; I425-V472 HydrophobicContact CG2-CG2 3.9Å; L454-V472 HydrophobicContact CD2-CG2 4.27Å; A461-V472 HydrophobicContact CB-CG1 3.84Å; G462-V472 CarbonylContact O-C 3.59Å; G462-V472 WeakPolarHBondContact O-CA 3.45Å; V463-V472 HydrophobicContact CG2-CG2 4.46Å; V472-C487 VanDerWaalsContact O-CA 3.3Å; V472-C487 WeakPolarHBondContact O-CA 3.36Å; V472-D488 PolarHBondContact N-O 3.11Å; V472-D488 PolarHBondContact O-N 2.89Å; V472-W497 HydrophobicContact CB-CZ3 4.45Å; V472-W497 HydrophobicContact CG2-CH2 3.74Å; V472-W497 HydrophobicContact CG2-CZ3 3.79Å
473	V	95.6	Very high	85.1	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.024	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.8	-165.4	175.9	0	0	0	0	110.8	G462 C487 L503 V512 M519 V521 W544	G462-V473 PolarHBondContact N-O 3.36Å; G462-V473 PolarHBondContact O-N 2.91Å; V473-C487 HydrophobicContact CG2-CB 4.46Å; V473-L503 HydrophobicContact CG1-CD1 3.82Å; V473-L503 HydrophobicContact CG1-CD2 3.87Å; V473-L503 HydrophobicContact CG1-CG 4.15Å; V473-V512 HydrophobicContact CB-CG2 4.43Å; V473-M519 HydrophobicContact CG2-CE 3.74Å; V473-M519 HydrophobicContact CG2-SD 3.69Å; V473-V521 HydrophobicContact CG1-CB 4.35Å; V473-V521 HydrophobicContact CG1-CG2 4.24Å; V473-W544 HydrophobicContact CG1-CH2 3.88Å; V473-W544 HydrophobicContact CG1-CZ2 3.92Å; V473-W544 HydrophobicContact CG2-CH2 4.15Å; V473-W544 HydrophobicContact CG2-CZ2 3.99Å
474	G	94.1	Very high	84.9	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.01	24%	0.242	C	C	.	.			trans	64.8	-135.9	177.6	0	0	0	0	0	112.7	N486	G474-N486 PolarHBondContact N-O 2.76Å
475	G	91.6	Very high	84.8	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.01	25%	0.252	C	S	.	.			trans	97.8	-178	-175.4	0	0	0	0	0	112.7	C459 G483 L484 R507	C459-G475 CarbonylContact O-C 3.59Å; C459-G475 WeakPolarHBondContact O-CA 3.32Å; G475-G483 CarbonylContact O-C 3.54Å; G475-L484 WeakPolarHBondContact O-CB 3.45Å; G475-L484 WeakPolarHBondContact O-CG 3.45Å; G475-L484 PolarHBondContact O-N 3.21Å; G475-R507 PolarHBondContact N-O 3.04Å
476	S	86.8	Confident	84.6	Confident	6 Å²	6	47.5 Å²	47.5	4%	0.042	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-112.7	152.7	173.3	48.2	0	0	0	0	110.5	C459	C459-S476 PolarHBondContact N-O 3.42Å; C459-S476 PolarHBondContact O-N 3.46Å; C459-S476 PolarHBondContact O-OG 2.87Å; C459-S476 PolarHBondContact SG-OG 3.49Å
477	D	71.4	Confident	84.5	Confident	49 Å²	49	47.4 Å²	47.4	26%	0.262	26%	0.259	S	S	.	.			trans	-79.3	165.8	172.9	69.3	-32.7	0	0	0	111.8	E434 C479 G480 L484	E434-D477 VanDerWaalsContact OE2-C 3.22Å; D477-C479 PolarHBondContact O-N 3.37Å; D477-G480 WeakPolarHBondContact O-CA 3.42Å; D477-G480 PolarHBondContact O-N 2.98Å; D477-L484 HydrophobicContact CB-CD2 4.49Å
478	P	58.7	Low	84.4	Confident	73 Å²	73	43.3 Å²	43.3	47%	0.474	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-21	179.7	-31.2	37.9	0	0	0	116.8	E434 N457 G480	E434-P478 HydrophobicContact CB-CG 4.39Å; E434-P478 WeakPolarHBondContact OE1-CA 3.31Å; E434-P478 WeakPolarHBondContact OE2-CA 3.49Å; E434-P478 WeakPolarHBondContact OE2-CD 3.32Å; E434-P478 WeakPolarHBondContact OE2-CG 3.45Å; N457-P478 HydrophobicContact CB-CG 3.93Å; P478-G480 VanDerWaalsContact C-N 3.35Å
479	C	59.3	Low	84.4	Confident	104 Å²	104	38.6 Å²	38.6	70%	0.703	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-4.7	177.7	-59.7	0	0	0	0	113.1	D477 Q481	D477-C479 PolarHBondContact O-N 3.37Å; C479-Q481 PolarHBondContact O-N 3.1Å
480	G	57.5	Low	84.3	Confident	42 Å²	42	35.5 Å²	35.5	43%	0.433	20%	0.198	S	C	.	.	S	Bend	trans	71	14.1	161.3	0	0	0	0	0	117.1	D477 P478	D477-G480 WeakPolarHBondContact O-CA 3.42Å; D477-G480 PolarHBondContact O-N 2.98Å; P478-G480 VanDerWaalsContact C-N 3.35Å
481	Q	57.3	Low	84.2	Confident	110 Å²	110	37.3 Å²	37.3	51%	0.514	21%	0.208	S	C	.	.	S	Bend	trans	-120.1	-11.2	-171.8	-64.3	-61.1	-46.6	0	0	115.2	C479 S527	C479-Q481 PolarHBondContact O-N 3.1Å; Q481-S527 PolarHBondContact O-OG 3.47Å
482	K	73.7	Confident	83.9	Confident	144 Å²	144	37.5 Å²	37.5	63%	0.626	21%	0.211	S	C	*	.			trans	-134.2	130	-177.3	-67.1	-177.3	-177.9	175.6	0	112.3
483	G	82.1	Confident	83.7	Confident	3 Å²	3	43.1 Å²	43.1	3%	0.031	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-65.1	146.9	169.3	0	0	0	0	0	111.6	G475 R506	G475-G483 CarbonylContact O-C 3.54Å; G483-R506 WeakPolarHBondContact O-CB 3.36Å; G483-R506 VanDerWaalsContact O-CD 3.24Å; G483-R506 WeakPolarHBondContact O-CD 3.28Å; G483-R506 VanDerWaalsContact O-CG 3.25Å; G483-R506 WeakPolarHBondContact O-CG 3.38Å
484	L	90.8	Very high	83.5	Confident	30 Å²	30	45.7 Å²	45.7	16%	0.157	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-98	156.1	179	-61.7	175	0	0	0	111.1	R458 G475 D477 R507	R458-L484 HydrophobicContact CG-CD1 4.13Å; G475-L484 WeakPolarHBondContact O-CB 3.45Å; G475-L484 WeakPolarHBondContact O-CG 3.45Å; G475-L484 PolarHBondContact O-N 3.21Å; D477-L484 HydrophobicContact CB-CD2 4.49Å; L484-R507 PolarHBondContact O-N 3.27Å
485	K	94.3	Very high	83.3	Confident	63 Å²	63	52.6 Å²	52.6	27%	0.274	30%	0.297	S	S	.	.			trans	-101.4	-9.6	168.3	-63.6	-175.3	158.8	-158.8	0	112.6	S502 L503 N504 R506	K485-S502 CarbonylContact O-C 3.5Å; K485-S502 VanDerWaalsContact O-CA 3.23Å; K485-S502 WeakPolarHBondContact O-CA 3.41Å; K485-S502 WeakPolarHBondContact O-CB 3.37Å; K485-L503 HydrophobicContact CB-CB 4.29Å; K485-L503 VanDerWaalsContact CD-O 3.27Å; K485-L503 WeakPolarHBondContact CD-O 3.37Å; K485-L503 PolarHBondContact O-N 3.24Å; K485-N504 WeakPolarHBondContact CE-O 2.99Å; K485-N504 PolarHBondContact NZ-O 2.99Å; K485-R506 HydrophobicContact CD-CG 4.21Å; K485-R506 HydrophobicContact CG-CB 4.39Å; K485-R506 HydrophobicContact CG-CG 3.52Å
486	N	92.5	Very high	83.3	Confident	75 Å²	75	56.3 Å²	56.3	40%	0.401	32%	0.319	S	S	.	.			trans	-64	138.7	-171.1	-63.3	73.9	0	0	0	110.6	R458 G474	R458-N486 PolarHBondContact NH1-O 3.48Å; G474-N486 PolarHBondContact N-O 2.76Å
487	C	94.5	Very high	83.6	Confident	3 Å²	3	57 Å²	57	2%	0.02	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.4	173.7	-58.7	0	0	0	0	107.9	V472 V473 C500 A501	V472-C487 VanDerWaalsContact O-CA 3.3Å; V472-C487 WeakPolarHBondContact O-CA 3.36Å; V473-C487 HydrophobicContact CG2-CB 4.46Å; C487-C500 WeakPolarHBondContact CB-SG 3.46Å; C487-C500 PolarHBondContact O-N 2.86Å; C487-A501 WeakPolarHBondContact CB-O 3.27Å
488	D	93.3	Very high	84.6	Confident	7 Å²	7	57.6 Å²	57.6	4%	0.037	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.1	-176.9	-61.4	-112.5	0	0	0	108.9	R458 Y471 V472 W497 S498 N499	R458-D488 IonicContact CZ-OD2 3.85Å; R458-D488 IonicContact NH1-OD2 3.03Å; R458-D488 PolarHBondContact NH1-OD2 3.29Å; R458-D488 IonicContact NH2-OD1 3.9Å; R458-D488 IonicContact NH2-OD2 3.72Å; R458-D488 PolarHBondContact NH2-OD2 2.85Å; Y471-D488 CarbonylContact C-O 3.51Å; Y471-D488 WeakPolarHBondContact CA-O 3.25Å; V472-D488 PolarHBondContact N-O 3.11Å; V472-D488 PolarHBondContact O-N 2.89Å; D488-W497 HydrophobicContact CB-CE3 3.93Å; D488-W497 HydrophobicContact CB-CZ3 4.14Å; D488-S498 WeakPolarHBondContact CA-O 3.36Å; D488-N499 PolarHBondContact OD1-OD1 2.84Å
489	V	94.8	Very high	86.2	Confident	11 Å²	11	60 Å²	60	7%	0.067	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.7	178.9	64.9	0	0	0	0	109.8	K469 L470 Y471 W497 S498	K469-V489 HydrophobicContact CB-CG2 3.56Å; K469-V489 HydrophobicContact CD-CG2 3.75Å; K469-V489 HydrophobicContact CG-CG2 4.22Å; L470-V489 CarbonylContact O-C 3.55Å; L470-V489 WeakPolarHBondContact O-CA 3.37Å; Y471-V489 HydrophobicContact CD1-CB 3.99Å; Y471-V489 HydrophobicContact CD1-CG2 4.11Å; Y471-V489 HydrophobicContact CD2-CG2 4.1Å; Y471-V489 HydrophobicContact CE1-CB 3.83Å; Y471-V489 HydrophobicContact CE1-CG2 3.79Å; Y471-V489 HydrophobicContact CE2-CG2 3.76Å; Y471-V489 HydrophobicContact CG-CB 4.48Å; Y471-V489 HydrophobicContact CG-CG2 4.27Å; V489-W497 WeakPolarHBondContact O-CA 3.48Å; V489-S498 WeakPolarHBondContact CG1-OG 3.19Å; V489-S498 PolarHBondContact N-O 2.79Å; V489-S498 PolarHBondContact O-N 2.94Å
490	F	93.9	Very high	87.7	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.9	175.3	176.4	-111.2	0	0	0	110.2	Y423 P452 K469 L470 P492 W497	Y423-F490 HydrophobicContact CE1-CE1 4.35Å; P452-F490 HydrophobicContact CB-CE2 4.22Å; P452-F490 HydrophobicContact CG-CE2 3.94Å; P452-F490 HydrophobicContact CG-CZ 4.18Å; K469-F490 WeakPolarHBondContact CB-O 3.42Å; L470-F490 HydrophobicContact CB-CB 4.21Å; L470-F490 HydrophobicContact CB-CD1 4.39Å; L470-F490 PolarHBondContact N-O 3.19Å; L470-F490 PolarHBondContact O-N 2.87Å; F490-P492 HydrophobicContact CE1-CB 4.05Å; F490-W497 HydrophobicContact CB-CD2 3.83Å; F490-W497 HydrophobicContact CB-CE3 3.65Å; F490-W497 HydrophobicContact CB-CH2 3.58Å; F490-W497 HydrophobicContact CB-CZ2 3.78Å; F490-W497 HydrophobicContact CB-CZ3 3.53Å; F490-W497 AromaticContact CD2-CD2 3.95Å; F490-W497 HydrophobicContact CD2-CD2 3.95Å; F490-W497 AromaticContact CD2-CE2 3.63Å; F490-W497 HydrophobicContact CD2-CG 4.17Å; F490-W497 HydrophobicContact CD2-CZ2 4.04Å; F490-W497 AromaticContact CD2-NE1 3.69Å; F490-W497 HydrophobicContact CG-CD2 4.32Å; F490-W497 HydrophobicContact CG-CH2 4.28Å; F490-W497 HydrophobicContact CG-CZ2 4Å
491	D	93.8	Very high	89.6	Confident	37 Å²	37	54.9 Å²	54.9	20%	0.198	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	111.7	169.7	-171.8	-40	0	0	0	109.2	K469 V493 A494 K495 T496	K469-D491 IonicContact NZ-OD2 2.99Å; K469-D491 PolarHBondContact NZ-OD2 2.98Å; D491-V493 VanDerWaalsContact C-N 3.26Å; D491-V493 PolarHBondContact O-N 2.97Å; D491-V493 WeakPolarHBondContact OD1-CA 3.01Å; D491-V493 WeakPolarHBondContact OD1-CB 3.38Å; D491-V493 PolarHBondContact OD1-N 3.35Å; D491-A494 HydrophobicContact CB-CB 4.07Å; D491-A494 PolarHBondContact OD1-N 3.48Å; D491-K495 VanDerWaalsContact O-CA 3.23Å; D491-K495 WeakPolarHBondContact O-CA 3.11Å; D491-K495 PolarHBondContact O-N 2.89Å; D491-T496 PolarHBondContact N-O 3.22Å; D491-T496 PolarHBondContact O-N 3.09Å
492	P	91.1	Very high	91.5	Very high	19 Å²	19	53 Å²	53	12%	0.123	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.8	-178.2	31	-38.2	0	0	0	113.2	L418 M419 N468 F490	L418-P492 HydrophobicContact CD2-CB 4.32Å; L418-P492 HydrophobicContact CD2-CG 3.89Å; M419-P492 HydrophobicContact CE-CG 4.1Å; M419-P492 HydrophobicContact SD-CG 4.42Å; N468-P492 WeakPolarHBondContact O-CD 3.37Å; F490-P492 HydrophobicContact CE1-CB 4.05Å
493	V	91.3	Very high	92.6	Very high	120 Å²	120	46.3 Å²	46.3	73%	0.727	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-50.2	179.8	-178.6	0	0	0	0	109.9	D491 K495	D491-V493 VanDerWaalsContact C-N 3.26Å; D491-V493 PolarHBondContact O-N 2.97Å; D491-V493 WeakPolarHBondContact OD1-CA 3.01Å; D491-V493 WeakPolarHBondContact OD1-CB 3.38Å; D491-V493 PolarHBondContact OD1-N 3.35Å; V493-K495 VanDerWaalsContact C-N 3.29Å
494	A	91.6	Very high	93.3	Very high	58 Å²	58	50 Å²	50	48%	0.479	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.1	178.2	0	0	0	0	0	112.9	D491 T496	D491-A494 HydrophobicContact CB-CB 4.07Å; D491-A494 PolarHBondContact OD1-N 3.48Å; A494-T496 VanDerWaalsContact C-N 3.27Å; A494-T496 HydrophobicContact CB-CG2 4.4Å; A494-T496 PolarHBondContact O-N 3.26Å
495	K	89.9	Confident	93.5	Very high	146 Å²	146	50.3 Å²	50.3	64%	0.635	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	38.3	-173.3	-59.2	-175.3	179.2	-175.9	0	112.8	P452 D491 V493	P452-K495 HydrophobicContact CG-CB 4.15Å; D491-K495 VanDerWaalsContact O-CA 3.23Å; D491-K495 WeakPolarHBondContact O-CA 3.11Å; D491-K495 PolarHBondContact O-N 2.89Å; V493-K495 VanDerWaalsContact C-N 3.29Å
496	T	91.4	Very high	93.5	Very high	79 Å²	79	52.9 Å²	52.9	49%	0.485	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.6	-176.2	56.1	0	0	0	0	112.7	D491 A494	D491-T496 PolarHBondContact N-O 3.22Å; D491-T496 PolarHBondContact O-N 3.09Å; A494-T496 VanDerWaalsContact C-N 3.27Å; A494-T496 HydrophobicContact CB-CG2 4.4Å; A494-T496 PolarHBondContact O-N 3.26Å
497	W	92.4	Very high	93.6	Very high	19 Å²	19	49.4 Å²	49.4	7%	0.072	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.6	172.1	-68.8	97.5	0	0	0	111.9	I425 P452 E453 L454 R455 V472 D488 V489 F490	I425-W497 HydrophobicContact CG2-CH2 4.21Å; P452-W497 PolarHBondContact O-NE1 3.02Å; E453-W497 PolarHBondContact O-NE1 3.27Å; L454-W497 HydrophobicContact CD2-CD2 4.24Å; L454-W497 HydrophobicContact CD2-CE3 4Å; L454-W497 HydrophobicContact CD2-CH2 3.29Å; L454-W497 HydrophobicContact CD2-CZ2 3.54Å; L454-W497 HydrophobicContact CD2-CZ3 3.52Å; L454-W497 HydrophobicContact CG-CH2 4.24Å; L454-W497 HydrophobicContact CG-CZ2 4.13Å; R455-W497 PolarHBondContact NH2-O 2.86Å; R455-W497 VanDerWaalsContact NH2-O 3.14Å; V472-W497 HydrophobicContact CB-CZ3 4.45Å; V472-W497 HydrophobicContact CG2-CH2 3.74Å; V472-W497 HydrophobicContact CG2-CZ3 3.79Å; D488-W497 HydrophobicContact CB-CE3 3.93Å; D488-W497 HydrophobicContact CB-CZ3 4.14Å; V489-W497 WeakPolarHBondContact O-CA 3.48Å; F490-W497 HydrophobicContact CB-CD2 3.83Å; F490-W497 HydrophobicContact CB-CE3 3.65Å; F490-W497 HydrophobicContact CB-CH2 3.58Å; F490-W497 HydrophobicContact CB-CZ2 3.78Å; F490-W497 HydrophobicContact CB-CZ3 3.53Å; F490-W497 AromaticContact CD2-CD2 3.95Å; F490-W497 HydrophobicContact CD2-CD2 3.95Å; F490-W497 AromaticContact CD2-CE2 3.63Å; F490-W497 HydrophobicContact CD2-CG 4.17Å; F490-W497 HydrophobicContact CD2-CZ2 4.04Å; F490-W497 AromaticContact CD2-NE1 3.69Å; F490-W497 HydrophobicContact CG-CD2 4.32Å; F490-W497 HydrophobicContact CG-CH2 4.28Å; F490-W497 HydrophobicContact CG-CZ2 4Å
498	S	92.6	Very high	93.6	Very high	63 Å²	63	50.1 Å²	50.1	44%	0.441	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	163.2	168.2	58.6	0	0	0	0	111.6	D488 V489	D488-S498 WeakPolarHBondContact CA-O 3.36Å; V489-S498 WeakPolarHBondContact CG1-OG 3.19Å; V489-S498 PolarHBondContact N-O 2.79Å; V489-S498 PolarHBondContact O-N 2.94Å
499	N	91.6	Very high	93.7	Very high	124 Å²	124	51.2 Å²	51.2	66%	0.663	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	147.9	178.5	-62	-11.7	0	0	0	110.3	D488	D488-N499 PolarHBondContact OD1-OD1 2.84Å
500	C	92.2	Very high	93.8	Very high	14 Å²	14	51.3 Å²	51.3	10%	0.095	29%	0.287	C	S	.	.			trans	-120.2	179.9	163.2	64.1	0	0	0	0	111	Y471 C487 S502	Y471-C500 HydrophobicContact CE1-CB 4.48Å; C487-C500 WeakPolarHBondContact CB-SG 3.46Å; C487-C500 PolarHBondContact O-N 2.86Å; C500-S502 PolarHBondContact O-N 3.02Å
501	A	96.1	Very high	94.1	Very high	24 Å²	24	51.3 Å²	51.3	20%	0.198	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-56.6	137.6	-177.8	0	0	0	0	0	111.4	C487 Y537 N542 W544	C487-A501 WeakPolarHBondContact CB-O 3.27Å; A501-Y537 HydrophobicContact CB-CE2 4.35Å; A501-N542 WeakPolarHBondContact CB-O 3.28Å; A501-N542 VanDerWaalsContact CB-OD1 3.3Å; A501-N542 WeakPolarHBondContact CB-OD1 3.26Å; A501-N542 PolarHBondContact N-OD1 3.48Å; A501-W544 VanDerWaalsContact O-CD1 3.26Å; A501-W544 PolarHBondContact O-NE1 3.17Å
502	S	96.9	Very high	94.3	Very high	70 Å²	70	49.7 Å²	49.7	49%	0.49	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-76.8	151.8	179.1	-59.1	0	0	0	0	111.4	K485 C500	K485-S502 CarbonylContact O-C 3.5Å; K485-S502 VanDerWaalsContact O-CA 3.23Å; K485-S502 WeakPolarHBondContact O-CA 3.41Å; K485-S502 WeakPolarHBondContact O-CB 3.37Å; C500-S502 PolarHBondContact O-N 3.02Å
503	L	97.8	Very high	94.6	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-60.1	151.4	174.8	-61.5	173.8	0	0	0	112.5	V473 K485 I505 R507 V521 W544	V473-L503 HydrophobicContact CG1-CD1 3.82Å; V473-L503 HydrophobicContact CG1-CD2 3.87Å; V473-L503 HydrophobicContact CG1-CG 4.15Å; K485-L503 HydrophobicContact CB-CB 4.29Å; K485-L503 VanDerWaalsContact CD-O 3.27Å; K485-L503 WeakPolarHBondContact CD-O 3.37Å; K485-L503 PolarHBondContact O-N 3.24Å; L503-I505 VanDerWaalsContact CB-O 3.28Å; L503-I505 WeakPolarHBondContact CB-O 3.12Å; L503-R507 HydrophobicContact CD1-CG 3.49Å; L503-R507 VanDerWaalsContact CD1-CG 3.49Å; L503-V521 HydrophobicContact CD2-CG1 3.72Å; L503-W544 HydrophobicContact CD2-CD2 3.52Å; L503-W544 VanDerWaalsContact CD2-CE2 3.46Å; L503-W544 HydrophobicContact CD2-CE3 3.74Å; L503-W544 HydrophobicContact CD2-CG 4.1Å; L503-W544 HydrophobicContact CD2-CH2 3.83Å; L503-W544 HydrophobicContact CD2-CZ2 3.62Å; L503-W544 HydrophobicContact CD2-CZ3 3.91Å
504	N	97.1	Very high	94.9	Very high	81 Å²	81	47 Å²	47	43%	0.433	26%	0.258	S	S	.	.	S	Bend	trans	-69.8	-38.7	170.6	-62.2	-75.3	0	0	0	110.8	K485 E535 W544	K485-N504 WeakPolarHBondContact CE-O 2.99Å; K485-N504 PolarHBondContact NZ-O 2.99Å; N504-E535 WeakPolarHBondContact CB-OE2 3.47Å; N504-E535 PolarHBondContact N-OE2 3.35Å; N504-E535 PolarHBondContact ND2-OE2 2.89Å; N504-W544 PolarHBondContact ND2-O 3.16Å
505	I	95.6	Very high	95.2	Very high	36 Å²	36	44.7 Å²	44.7	19%	0.185	24%	0.238	C	C	.	.	S	Bend	trans	-116.9	136.6	-178.1	-57	171.8	0	0	0	109.7	L503 L531 T533 E535 L546	L503-I505 VanDerWaalsContact CB-O 3.28Å; L503-I505 WeakPolarHBondContact CB-O 3.12Å; I505-L531 HydrophobicContact CG2-CD1 3.88Å; I505-T533 HydrophobicContact CD1-CG2 3.82Å; I505-T533 WeakPolarHBondContact CD1-OG1 3.24Å; I505-E535 PolarHBondContact N-OE1 3.37Å; I505-L546 HydrophobicContact CD1-CD2 4.04Å
506	R	94	Very high	95.5	Very high	118 Å²	118	43.4 Å²	43.4	45%	0.445	24%	0.238	S	C	.	.			trans	-68	133.1	173.9	-75.5	172.9	-139.9	-77.3	0.3	109.1	G483 K485 E526	G483-R506 WeakPolarHBondContact O-CB 3.36Å; G483-R506 VanDerWaalsContact O-CD 3.24Å; G483-R506 WeakPolarHBondContact O-CD 3.28Å; G483-R506 VanDerWaalsContact O-CG 3.25Å; G483-R506 WeakPolarHBondContact O-CG 3.38Å; K485-R506 HydrophobicContact CD-CG 4.21Å; K485-R506 HydrophobicContact CG-CB 4.39Å; K485-R506 HydrophobicContact CG-CG 3.52Å; R506-E526 HydrophobicContact CB-CG 4.23Å
507	R	94.5	Very high	95.8	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-151.6	143.5	178.9	56.4	-178.5	75.4	-144.5	15.8	112.7	G475 L484 L503 A510 V521 G523 A525 L531 T533 E535	G475-R507 PolarHBondContact N-O 3.04Å; L484-R507 PolarHBondContact O-N 3.27Å; L503-R507 HydrophobicContact CD1-CG 3.49Å; L503-R507 VanDerWaalsContact CD1-CG 3.49Å; R507-A510 HydrophobicContact CB-CB 4.44Å; R507-A510 HydrophobicContact CG-CB 4.24Å; R507-V521 HydrophobicContact CG-CG2 4.41Å; R507-V521 PolarHBondContact NH1-O 3.09Å; R507-G523 PolarHBondContact NH1-O 3.18Å; R507-A525 WeakPolarHBondContact CA-O 3.39Å; R507-L531 HydrophobicContact CB-CD1 4.01Å; R507-T533 PolarHBondContact NH1-O 3.17Å; R507-T533 PolarHBondContact NH2-O 2.91Å; R507-E535 IonicContact CZ-OE1 3.25Å; R507-E535 IonicContact NE-OE1 3.75Å; R507-E535 IonicContact NH2-OE1 2.87Å; R507-E535 PolarHBondContact NH2-OE1 2.98Å
508	H	93.8	Very high	96.1	Very high	19 Å²	19	42.4 Å²	42.4	9%	0.088	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-128.2	162.8	163.3	62.4	87.9	0	0	0	109.1	N460 A510 G524 A525 S527	N460-H508 HydrophobicContact CB-CB 4.11Å; H508-A510 PolarHBondContact O-N 3.11Å; H508-G524 CarbonylContact O-C 3.56Å; H508-G524 WeakPolarHBondContact O-CA 3.41Å; H508-A525 PolarHBondContact CD2-O 3.26Å; H508-A525 PolarHBondContact N-O 3.12Å; H508-A525 VanDerWaalsContact N-O 3.14Å; H508-A525 PolarHBondContact NE2-O 2.66Å; H508-A525 PolarHBondContact O-N 2.95Å; H508-S527 PolarHBondContact NE2-O 3.37Å
509	Q	95.5	Very high	96.3	Very high	30 Å²	30	39.4 Å²	39.4	14%	0.14	21%	0.214	C	C	.	.	S	Bend	trans	56.2	31.3	-176.2	-60.6	-178.7	-56.5	0	0	112.9	N460 G524 R555 G556 N603	N460-Q509 HydrophobicContact CB-CB 4.45Å; N460-Q509 HydrophobicContact CB-CG 3.57Å; N460-Q509 VanDerWaalsContact CG-CG 3.46Å; N460-Q509 PolarHBondContact O-N 2.89Å; N460-Q509 WeakPolarHBondContact OD1-CG 3.21Å; Q509-G524 WeakPolarHBondContact O-CA 3.24Å; Q509-R555 HydrophobicContact CB-CB 4.31Å; Q509-G556 PolarHBondContact O-N 3.4Å; Q509-N603 PolarHBondContact NE2-ND2 3.33Å
510	A	97.7	Very high	96.7	Very high	12 Å²	12	33.7 Å²	33.7	10%	0.099	18%	0.183	C	C	.	.			trans	-85.9	146.4	175.3	0	0	0	0	0	110	R507 H508 V521 I522	R507-A510 HydrophobicContact CB-CB 4.44Å; R507-A510 HydrophobicContact CG-CB 4.24Å; H508-A510 PolarHBondContact O-N 3.11Å; A510-V521 HydrophobicContact CB-CG2 3.48Å; A510-V521 VanDerWaalsContact CB-CG2 3.48Å; A510-I522 WeakPolarHBondContact CA-O 3.28Å
511	A	98.3	Very high	97	Very high	4 Å²	4	33 Å²	33	3%	0.033	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	132.8	170.1	0	0	0	0	0	108.8	V521 I522 A557 V559	A511-V521 WeakPolarHBondContact O-CA 3.23Å; A511-I522 HydrophobicContact CB-CB 4.17Å; A511-I522 PolarHBondContact N-O 3.04Å; A511-I522 PolarHBondContact O-N 3.45Å; A511-A557 WeakPolarHBondContact CB-O 3.41Å; A511-V559 HydrophobicContact CB-CB 3.81Å; A511-V559 HydrophobicContact CB-CG1 3.53Å
512	V	98.1	Very high	97.1	Very high	3 Å²	3	32 Å²	32	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.7	176.6	-174.9	0	0	0	0	110.5	Q414 C464 V473 M519 Y520 V521	Q414-V512 PolarHBondContact NE2-O 2.81Å; C464-V512 HydrophobicContact CB-CB 4.41Å; C464-V512 HydrophobicContact CB-CG1 3.56Å; V473-V512 HydrophobicContact CB-CG2 4.43Å; V512-M519 HydrophobicContact CG1-CG 3.65Å; V512-M519 HydrophobicContact CG1-SD 3.72Å; V512-Y520 VanDerWaalsContact CA-O 3.27Å; V512-Y520 WeakPolarHBondContact CA-O 3.42Å; V512-Y520 WeakPolarHBondContact CG1-O 3.43Å; V512-V521 HydrophobicContact CG2-CB 4.05Å; V512-V521 HydrophobicContact CG2-CG2 3.68Å
513	C	97.9	Very high	97.2	Very high	10 Å²	10	28.7 Å²	28.7	7%	0.068	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	166.5	176.3	56.8	0	0	0	0	111.4	M519 Y520 V559 V561	C513-M519 CarbonylContact O-C 3.52Å; C513-M519 WeakPolarHBondContact O-CA 3.46Å; C513-Y520 PolarHBondContact N-O 3.26Å; C513-Y520 VanDerWaalsContact N-O 3.15Å; C513-Y520 PolarHBondContact O-N 3.14Å; C513-V559 HydrophobicContact CB-CG1 3.77Å; C513-V559 HydrophobicContact CB-CG2 4.31Å; C513-V561 HydrophobicContact CB-CG2 3.9Å
514	E	98	Very high	97.2	Very high	73 Å²	73	28.6 Å²	28.6	34%	0.341	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.6	172.8	-176.3	-81.6	140.7	0	0	109.2	C464 S465 L466 D516 G517 F518 V561	C464-E514 PolarHBondContact SG-N 3.42Å; C464-E514 VanDerWaalsContact SG-N 3.36Å; S465-E514 WeakPolarHBondContact O-CB 3.46Å; L466-E514 HydrophobicContact CB-CG 4.32Å; L466-E514 HydrophobicContact CD1-CG 3.62Å; E514-D516 PolarHBondContact OE1-N 3.49Å; E514-G517 WeakPolarHBondContact OE1-CA 3.18Å; E514-G517 PolarHBondContact OE1-N 2.68Å; E514-F518 CarbonylContact C-O 3.58Å; E514-F518 WeakPolarHBondContact CA-O 3.48Å; E514-V561 WeakPolarHBondContact O-CG2 3.36Å
515	L	98.1	Very high	97	Very high	9 Å²	9	24.7 Å²	24.7	5%	0.047	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	128.5	171.2	171.1	63	0	0	0	109.5	G517 F518 Y520 V561 G564 L566 P586	L515-G517 VanDerWaalsContact C-N 3.27Å; L515-G517 PolarHBondContact O-N 3.48Å; L515-F518 PolarHBondContact N-O 2.85Å; L515-F518 PolarHBondContact O-N 3.1Å; L515-Y520 HydrophobicContact CB-CD2 4.32Å; L515-Y520 HydrophobicContact CB-CE2 3.95Å; L515-V561 HydrophobicContact CB-CG1 4.24Å; L515-V561 HydrophobicContact CD1-CG1 3.71Å; L515-V561 HydrophobicContact CG-CG1 4.37Å; L515-G564 WeakPolarHBondContact CD2-O 3.31Å; L515-L566 HydrophobicContact CB-CD2 3.82Å; L515-L566 HydrophobicContact CD2-CD2 3.47Å; L515-L566 VanDerWaalsContact CD2-CD2 3.47Å; L515-L566 HydrophobicContact CD2-CG 4.06Å; L515-L566 HydrophobicContact CG-CD2 4.28Å; L515-P586 HydrophobicContact CD2-CG 3.57Å
516	D	96.2	Very high	96.7	Very high	119 Å²	119	26.5 Å²	26.5	64%	0.636	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	38.5	176.5	-61.3	-31.2	0	0	0	114	E514 F518	E514-D516 PolarHBondContact OE1-N 3.49Å; D516-F518 VanDerWaalsContact C-N 3.27Å; D516-F518 WeakPolarHBondContact O-CD2 3.12Å; D516-F518 WeakPolarHBondContact O-CE2 3.09Å; D516-F518 PolarHBondContact O-N 2.82Å
517	G	96.9	Very high	96.2	Very high	27 Å²	27	23.4 Å²	23.4	28%	0.278	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	6.2	-179.7	0	0	0	0	0	114.3	L466 E514 L515 P539	L466-G517 WeakPolarHBondContact CD1-O 3.34Å; E514-G517 WeakPolarHBondContact OE1-CA 3.18Å; E514-G517 PolarHBondContact OE1-N 2.68Å; L515-G517 VanDerWaalsContact C-N 3.27Å; L515-G517 PolarHBondContact O-N 3.48Å; G517-P539 WeakPolarHBondContact O-CD 3.42Å; G517-P539 WeakPolarHBondContact O-CG 3.48Å
518	F	98.3	Very high	95.6	Very high	51 Å²	51	31.7 Å²	31.7	22%	0.224	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	146.3	174.3	-61.1	-87.5	0	0	0	110.6	E514 L515 D516 Y520 R536 N538	E514-F518 CarbonylContact C-O 3.58Å; E514-F518 WeakPolarHBondContact CA-O 3.48Å; L515-F518 PolarHBondContact N-O 2.85Å; L515-F518 PolarHBondContact O-N 3.1Å; D516-F518 VanDerWaalsContact C-N 3.27Å; D516-F518 WeakPolarHBondContact O-CD2 3.12Å; D516-F518 WeakPolarHBondContact O-CE2 3.09Å; D516-F518 PolarHBondContact O-N 2.82Å; F518-Y520 HydrophobicContact CB-CE2 3.82Å; F518-R536 HydrophobicContact CB-CG 3.73Å; F518-R536 HydrophobicContact CD1-CG 4Å; F518-R536 HydrophobicContact CG-CG 4.09Å; F518-N538 HydrophobicContact CD1-CB 4.03Å; F518-N538 HydrophobicContact CE1-CB 3.83Å
519	M	98.5	Very high	95.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.4	170.8	171.7	178.8	52.2	0	0	109.6	C464 L466 Y471 V473 V512 C513 R536 Y537 W544	C464-M519 HydrophobicContact CB-SD 4.22Å; L466-M519 HydrophobicContact CD2-CB 4.04Å; Y471-M519 HydrophobicContact CD1-CE 3.78Å; Y471-M519 HydrophobicContact CE1-CE 4.48Å; Y471-M519 HydrophobicContact CG-CE 3.95Å; Y471-M519 HydrophobicContact CG-SD 4.21Å; V473-M519 HydrophobicContact CG2-CE 3.74Å; V473-M519 HydrophobicContact CG2-SD 3.69Å; V512-M519 HydrophobicContact CG1-CG 3.65Å; V512-M519 HydrophobicContact CG1-SD 3.72Å; C513-M519 CarbonylContact O-C 3.52Å; C513-M519 WeakPolarHBondContact O-CA 3.46Å; M519-R536 CarbonylContact O-C 3.48Å; M519-R536 WeakPolarHBondContact O-CA 3.48Å; M519-Y537 HydrophobicContact CB-CD1 4.42Å; M519-Y537 HydrophobicContact CE-CD1 3.61Å; M519-Y537 HydrophobicContact CE-CE1 4.33Å; M519-Y537 HydrophobicContact CE-CG 3.9Å; M519-Y537 PolarHBondContact N-O 3.38Å; M519-Y537 PolarHBondContact O-N 2.93Å; M519-W544 HydrophobicContact CE-CH2 3.55Å; M519-W544 HydrophobicContact CE-CZ2 3.56Å; M519-W544 HydrophobicContact CG-CH2 4.24Å; M519-W544 HydrophobicContact SD-CH2 4.27Å
520	Y	98.8	Very high	95.2	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.9	178.1	-66.3	-98.5	0	0	0	109.5	V512 C513 L515 F518 V534 E535 R536 L566 Y584	V512-Y520 VanDerWaalsContact CA-O 3.27Å; V512-Y520 WeakPolarHBondContact CA-O 3.42Å; V512-Y520 WeakPolarHBondContact CG1-O 3.43Å; C513-Y520 PolarHBondContact N-O 3.26Å; C513-Y520 VanDerWaalsContact N-O 3.15Å; C513-Y520 PolarHBondContact O-N 3.14Å; L515-Y520 HydrophobicContact CB-CD2 4.32Å; L515-Y520 HydrophobicContact CB-CE2 3.95Å; F518-Y520 HydrophobicContact CB-CE2 3.82Å; Y520-V534 HydrophobicContact CD1-CG1 4.46Å; Y520-E535 WeakPolarHBondContact CA-O 3.21Å; Y520-R536 HydrophobicContact CD1-CB 3.97Å; Y520-R536 HydrophobicContact CD1-CG 4.03Å; Y520-R536 HydrophobicContact CE1-CB 3.82Å; Y520-R536 HydrophobicContact CE1-CG 3.6Å; Y520-R536 HydrophobicContact CE2-CG 4.23Å; Y520-R536 VanDerWaalsContact OH-CD 3.28Å; Y520-R536 WeakPolarHBondContact OH-CD 3.23Å; Y520-L566 HydrophobicContact CD1-CD1 3.71Å; Y520-L566 HydrophobicContact CD2-CD1 3.93Å; Y520-L566 HydrophobicContact CE1-CD1 4.18Å; Y520-L566 HydrophobicContact CE2-CD1 4.4Å; Y520-L566 HydrophobicContact CG-CD1 3.57Å; Y520-Y584 AromaticContact CE1-CE1 3.88Å; Y520-Y584 HydrophobicContact CE1-CE1 3.88Å
521	V	98.6	Very high	95.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.8	168.2	67.5	0	0	0	0	110.4	V473 L503 R507 A510 A511 V512 V534 E535 W544	V473-V521 HydrophobicContact CG1-CB 4.35Å; V473-V521 HydrophobicContact CG1-CG2 4.24Å; L503-V521 HydrophobicContact CD2-CG1 3.72Å; R507-V521 HydrophobicContact CG-CG2 4.41Å; R507-V521 PolarHBondContact NH1-O 3.09Å; A510-V521 HydrophobicContact CB-CG2 3.48Å; A510-V521 VanDerWaalsContact CB-CG2 3.48Å; A511-V521 WeakPolarHBondContact O-CA 3.23Å; V512-V521 HydrophobicContact CG2-CB 4.05Å; V512-V521 HydrophobicContact CG2-CG2 3.68Å; V521-V534 WeakPolarHBondContact O-CA 3.45Å; V521-V534 WeakPolarHBondContact O-CG1 3.47Å; V521-E535 HydrophobicContact CG1-CB 3.77Å; V521-E535 PolarHBondContact N-O 3.36Å; V521-E535 PolarHBondContact O-N 3.2Å; V521-W544 HydrophobicContact CB-CH2 4.21Å; V521-W544 HydrophobicContact CB-CZ3 4Å; V521-W544 HydrophobicContact CG1-CE3 4.04Å; V521-W544 HydrophobicContact CG1-CH2 3.96Å; V521-W544 HydrophobicContact CG1-CZ3 3.43Å; V521-W544 VanDerWaalsContact CG1-CZ3 3.43Å
522	I	98.8	Very high	95.1	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.6	-160.9	-59.9	159.4	0	0	0	109.1	A510 A511 V534 M550 V559 L566 V568 W591	A510-I522 WeakPolarHBondContact CA-O 3.28Å; A511-I522 HydrophobicContact CB-CB 4.17Å; A511-I522 PolarHBondContact N-O 3.04Å; A511-I522 PolarHBondContact O-N 3.45Å; I522-V534 HydrophobicContact CB-CG1 4.47Å; I522-V534 HydrophobicContact CB-CG2 4.32Å; I522-V534 HydrophobicContact CG1-CG1 3.71Å; I522-V534 HydrophobicContact CG1-CG2 4.31Å; I522-V534 HydrophobicContact CG2-CG2 3.95Å; I522-M550 HydrophobicContact CG2-CE 3.66Å; I522-M550 HydrophobicContact CG2-CG 4.34Å; I522-M550 HydrophobicContact CG2-SD 3.37Å; I522-M550 WeakPolarHBondContact CG2-SD 3.22Å; I522-V559 HydrophobicContact CD1-CB 4.14Å; I522-V559 HydrophobicContact CD1-CG1 4.38Å; I522-V559 HydrophobicContact CD1-CG2 3.69Å; I522-L566 HydrophobicContact CD1-CD1 4.14Å; I522-V568 HydrophobicContact CD1-CG2 4.03Å; I522-V568 HydrophobicContact CG2-CG1 4.22Å; I522-V568 HydrophobicContact CG2-CG2 3.8Å; I522-W591 HydrophobicContact CG2-CH2 4.19Å
523	G	98.3	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.			trans	57.6	-135.4	177.4	0	0	0	0	0	113.8	R507 L531 T533	R507-G523 PolarHBondContact NH1-O 3.18Å; G523-L531 WeakPolarHBondContact CA-O 3.43Å; G523-T533 PolarHBondContact N-O 2.95Å
524	G	97.3	Very high	95.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.01	20%	0.204	C	C	.	.			trans	94.8	-161.3	-171.6	0	0	0	0	0	111.9	H508 Q509 L531 R554	H508-G524 CarbonylContact O-C 3.56Å; H508-G524 WeakPolarHBondContact O-CA 3.41Å; Q509-G524 WeakPolarHBondContact O-CA 3.24Å; G524-L531 PolarHBondContact O-N 3.24Å; G524-R554 PolarHBondContact N-O 3.32Å
525	A	93.6	Very high	95.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142.3	178.8	0	0	0	0	0	112.5	R507 H508 N529 R555	R507-A525 WeakPolarHBondContact CA-O 3.39Å; H508-A525 PolarHBondContact CD2-O 3.26Å; H508-A525 PolarHBondContact N-O 3.12Å; H508-A525 VanDerWaalsContact N-O 3.14Å; H508-A525 PolarHBondContact NE2-O 2.66Å; H508-A525 PolarHBondContact O-N 2.95Å; A525-N529 VanDerWaalsContact CA-O 3.23Å; A525-N529 WeakPolarHBondContact CA-O 3.36Å; A525-R555 HydrophobicContact CB-CB 3.97Å
526	E	89.5	Confident	95.3	Very high	74 Å²	74	39.3 Å²	39.3	35%	0.346	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	105.2	162.1	-172.8	173	-140.8	0	0	108	R506 W528 N529 L531	R506-E526 HydrophobicContact CB-CG 4.23Å; E526-W528 PolarHBondContact O-N 3.26Å; E526-W528 VanDerWaalsContact O-N 3.08Å; E526-N529 PolarHBondContact N-O 3.08Å; E526-N529 PolarHBondContact O-N 3.34Å; E526-L531 HydrophobicContact CB-CD1 4.34Å; E526-L531 HydrophobicContact CB-CD2 4.23Å
527	S	84.4	Confident	95.4	Very high	52 Å²	52	34 Å²	34	36%	0.364	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	-108.5	-168.5	-64	0	0	0	0	111.2	Q481 H508	Q481-S527 PolarHBondContact O-OG 3.47Å; H508-S527 PolarHBondContact NE2-O 3.37Å
528	W	80.2	Confident	95.4	Very high	176 Å²	176	34.2 Å²	34.2	67%	0.667	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-7.3	179.5	-61.5	104.4	0	0	0	113.2	E526	E526-W528 PolarHBondContact O-N 3.26Å; E526-W528 VanDerWaalsContact O-N 3.08Å
529	N	87.2	Confident	95.3	Very high	114 Å²	114	33 Å²	33	61%	0.61	16%	0.163	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	118.6	-175.7	-62.5	-38.2	0	0	0	110.1	A525 E526	A525-N529 VanDerWaalsContact CA-O 3.23Å; A525-N529 WeakPolarHBondContact CA-O 3.36Å; E526-N529 PolarHBondContact N-O 3.08Å; E526-N529 PolarHBondContact O-N 3.34Å
530	C	93.6	Very high	95.2	Very high	20 Å²	20	40 Å²	40	14%	0.135	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	140.3	169.3	-64.3	0	0	0	0	110.1	A553 F572 G574	C530-A553 HydrophobicContact CB-CB 4.11Å; C530-F572 PolarHBondContact SG-O 3.06Å; C530-G574 PolarHBondContact SG-N 3.36Å; C530-G574 VanDerWaalsContact SG-N 3.45Å
531	L	97.2	Very high	95.1	Very high	21 Å²	21	44.2 Å²	44.2	11%	0.11	22%	0.223	C	C	.	.			trans	-106.8	140.5	-177.2	-57.7	175.1	0	0	0	109.9	I505 R507 G523 G524 E526 R554	I505-L531 HydrophobicContact CG2-CD1 3.88Å; R507-L531 HydrophobicContact CB-CD1 4.01Å; G523-L531 WeakPolarHBondContact CA-O 3.43Å; G524-L531 PolarHBondContact O-N 3.24Å; E526-L531 HydrophobicContact CB-CD1 4.34Å; E526-L531 HydrophobicContact CB-CD2 4.23Å; L531-R554 PolarHBondContact O-N 3.2Å
532	N	98.2	Very high	95.1	Very high	57 Å²	57	47.7 Å²	47.7	31%	0.305	24%	0.241	S	C	.	.			trans	-103.3	-3.1	164.6	68.7	-23.3	0	0	0	112.5	P549 M550 A553	N532-P549 CarbonylContact O-C 3.56Å; N532-P549 WeakPolarHBondContact O-CA 3.44Å; N532-M550 HydrophobicContact CB-CB 4.02Å; N532-M550 WeakPolarHBondContact CB-O 3.46Å; N532-M550 PolarHBondContact ND2-O 3.4Å; N532-M550 PolarHBondContact O-N 3.46Å; N532-A553 HydrophobicContact CB-CB 3.99Å
533	T	98.6	Very high	95	Very high	31 Å²	31	50.1 Å²	50.1	19%	0.19	26%	0.256	C	S	.	.			trans	-72.8	139.1	-177.6	55.1	0	0	0	0	112.1	I505 R507 G523	I505-T533 HydrophobicContact CD1-CG2 3.82Å; I505-T533 WeakPolarHBondContact CD1-OG1 3.24Å; R507-T533 PolarHBondContact NH1-O 3.17Å; R507-T533 PolarHBondContact NH2-O 2.91Å; G523-T533 PolarHBondContact N-O 2.95Å
534	V	98.8	Very high	95	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.6	179	-176.5	0	0	0	0	109.7	Y520 V521 I522 L546 V547 M550 W591	Y520-V534 HydrophobicContact CD1-CG1 4.46Å; V521-V534 WeakPolarHBondContact O-CA 3.45Å; V521-V534 WeakPolarHBondContact O-CG1 3.47Å; I522-V534 HydrophobicContact CB-CG1 4.47Å; I522-V534 HydrophobicContact CB-CG2 4.32Å; I522-V534 HydrophobicContact CG1-CG1 3.71Å; I522-V534 HydrophobicContact CG1-CG2 4.31Å; I522-V534 HydrophobicContact CG2-CG2 3.95Å; V534-L546 WeakPolarHBondContact O-CA 3.31Å; V534-V547 HydrophobicContact CB-CG2 3.69Å; V534-V547 HydrophobicContact CG1-CG2 3.56Å; V534-V547 PolarHBondContact O-N 3.09Å; V534-M550 HydrophobicContact CG2-CG 4.12Å; V534-W591 HydrophobicContact CB-CZ2 4.42Å; V534-W591 HydrophobicContact CG1-CZ2 4.46Å; V534-W591 HydrophobicContact CG2-CH2 4.44Å; V534-W591 HydrophobicContact CG2-CZ2 3.66Å
535	E	98.8	Very high	95.1	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.3	177.3	-63.6	176	-116.6	0	0	110	N504 I505 R507 Y520 V521 W544 T545 L546	N504-E535 WeakPolarHBondContact CB-OE2 3.47Å; N504-E535 PolarHBondContact N-OE2 3.35Å; N504-E535 PolarHBondContact ND2-OE2 2.89Å; I505-E535 PolarHBondContact N-OE1 3.37Å; R507-E535 IonicContact CZ-OE1 3.25Å; R507-E535 IonicContact NE-OE1 3.75Å; R507-E535 IonicContact NH2-OE1 2.87Å; R507-E535 PolarHBondContact NH2-OE1 2.98Å; Y520-E535 WeakPolarHBondContact CA-O 3.21Å; V521-E535 HydrophobicContact CG1-CB 3.77Å; V521-E535 PolarHBondContact N-O 3.36Å; V521-E535 PolarHBondContact O-N 3.2Å; E535-W544 HydrophobicContact CB-CE3 3.72Å; E535-W544 HydrophobicContact CB-CZ3 4.33Å; E535-T545 CarbonylContact C-O 3.57Å; E535-T545 WeakPolarHBondContact CA-O 3.38Å; E535-L546 HydrophobicContact CG-CD2 3.59Å; E535-L546 HydrophobicContact CG-CG 4.21Å
536	R	98.7	Very high	95.3	Very high	77 Å²	77	58.5 Å²	58.5	29%	0.291	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.2	175.5	-174.7	-175.1	69.4	-176.6	0.1	109.8	F518 M519 Y520 W544 T545 V547	F518-R536 HydrophobicContact CB-CG 3.73Å; F518-R536 HydrophobicContact CD1-CG 4Å; F518-R536 HydrophobicContact CG-CG 4.09Å; M519-R536 CarbonylContact O-C 3.48Å; M519-R536 WeakPolarHBondContact O-CA 3.48Å; Y520-R536 HydrophobicContact CD1-CB 3.97Å; Y520-R536 HydrophobicContact CD1-CG 4.03Å; Y520-R536 HydrophobicContact CE1-CB 3.82Å; Y520-R536 HydrophobicContact CE1-CG 3.6Å; Y520-R536 HydrophobicContact CE2-CG 4.23Å; Y520-R536 VanDerWaalsContact OH-CD 3.28Å; Y520-R536 WeakPolarHBondContact OH-CD 3.23Å; R536-W544 WeakPolarHBondContact O-CA 3.48Å; R536-T545 PolarHBondContact N-O 2.9Å; R536-T545 PolarHBondContact O-N 2.95Å; R536-V547 HydrophobicContact CB-CG1 3.81Å
537	Y	98.7	Very high	95.8	Very high	8 Å²	8	56 Å²	56	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.5	173.4	-179.4	-113.1	0	0	0	110.9	L466 Y471 A501 M519 P539 N542 T543 W544	L466-Y537 HydrophobicContact CD2-CD1 4.14Å; L466-Y537 HydrophobicContact CD2-CE1 4.39Å; Y471-Y537 AromaticContact CE1-CE1 3.76Å; Y471-Y537 HydrophobicContact CE1-CE1 3.76Å; A501-Y537 HydrophobicContact CB-CE2 4.35Å; M519-Y537 HydrophobicContact CB-CD1 4.42Å; M519-Y537 HydrophobicContact CE-CD1 3.61Å; M519-Y537 HydrophobicContact CE-CE1 4.33Å; M519-Y537 HydrophobicContact CE-CG 3.9Å; M519-Y537 PolarHBondContact N-O 3.38Å; M519-Y537 PolarHBondContact O-N 2.93Å; Y537-P539 HydrophobicContact CE1-CB 3.91Å; Y537-N542 PolarHBondContact OH-OD1 3.41Å; Y537-T543 WeakPolarHBondContact CA-O 3.49Å; Y537-T543 WeakPolarHBondContact CD2-O 3.47Å; Y537-W544 AromaticContact CD2-CD1 3.85Å; Y537-W544 AromaticContact CD2-CD2 3.96Å; Y537-W544 HydrophobicContact CD2-CD2 3.96Å; Y537-W544 AromaticContact CD2-CE2 3.63Å; Y537-W544 HydrophobicContact CD2-CG 4.11Å; Y537-W544 HydrophobicContact CD2-CZ2 4.16Å; Y537-W544 AromaticContact CD2-NE1 3.51Å; Y537-W544 HydrophobicContact CG-CD2 4.25Å; Y537-W544 AromaticContact CG-CE2 3.93Å; Y537-W544 HydrophobicContact CG-CH2 4.43Å; Y537-W544 HydrophobicContact CG-CZ2 4.05Å
538	N	97.9	Very high	96.4	Very high	31 Å²	31	54.3 Å²	54.3	17%	0.166	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.1	168.7	-179.5	-17.1	0	0	0	109.2	F518 D540 N541 N542 T543	F518-N538 HydrophobicContact CD1-CB 4.03Å; F518-N538 HydrophobicContact CE1-CB 3.83Å; N538-D540 VanDerWaalsContact C-N 3.31Å; N538-D540 PolarHBondContact O-N 3.35Å; N538-D540 WeakPolarHBondContact OD1-CB 3.36Å; N538-D540 PolarHBondContact OD1-N 2.64Å; N538-N541 WeakPolarHBondContact CB-OD1 3.47Å; N538-N541 PolarHBondContact O-OD1 3.37Å; N538-N542 WeakPolarHBondContact O-CA 3.48Å; N538-N542 PolarHBondContact O-N 3.47Å; N538-T543 PolarHBondContact N-O 3.24Å; N538-T543 PolarHBondContact O-N 2.86Å
539	P	96.4	Very high	97.3	Very high	26 Å²	26	49.3 Å²	49.3	17%	0.169	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.3	-180	29.6	-35.9	0	0	0	113.6	L466 G517 Y537	L466-P539 HydrophobicContact CD2-CB 4.13Å; L466-P539 HydrophobicContact CD2-CG 4.01Å; G517-P539 WeakPolarHBondContact O-CD 3.42Å; G517-P539 WeakPolarHBondContact O-CG 3.48Å; Y537-P539 HydrophobicContact CE1-CB 3.91Å
540	D	96.3	Very high	97.8	Very high	147 Å²	147	44.1 Å²	44.1	79%	0.786	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-35.4	-174.6	-62.4	-28	0	0	0	112.5	N538	N538-D540 VanDerWaalsContact C-N 3.31Å; N538-D540 PolarHBondContact O-N 3.35Å; N538-D540 WeakPolarHBondContact OD1-CB 3.36Å; N538-D540 PolarHBondContact OD1-N 2.64Å
541	N	96.8	Very high	97.9	Very high	91 Å²	91	47.7 Å²	47.7	49%	0.487	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	0.6	178.1	70	9	0	0	0	113.1	N538 T543	N538-N541 WeakPolarHBondContact CB-OD1 3.47Å; N538-N541 PolarHBondContact O-OD1 3.37Å; N541-T543 VanDerWaalsContact CG-OG1 3.27Å; N541-T543 PolarHBondContact ND2-OG1 3.06Å; N541-T543 WeakPolarHBondContact O-CG2 3.27Å; N541-T543 PolarHBondContact OD1-N 3.31Å; N541-T543 PolarHBondContact OD1-OG1 3.08Å
542	N	97	Very high	97.6	Very high	74 Å²	74	48.5 Å²	48.5	40%	0.396	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	56.2	-179.5	-174.7	35	0	0	0	112	A501 Y537 N538	A501-N542 WeakPolarHBondContact CB-O 3.28Å; A501-N542 VanDerWaalsContact CB-OD1 3.3Å; A501-N542 WeakPolarHBondContact CB-OD1 3.26Å; A501-N542 PolarHBondContact N-OD1 3.48Å; Y537-N542 PolarHBondContact OH-OD1 3.41Å; N538-N542 WeakPolarHBondContact O-CA 3.48Å; N538-N542 PolarHBondContact O-N 3.47Å
543	T	97.9	Very high	97.5	Very high	53 Å²	53	47.3 Å²	47.3	33%	0.325	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.4	179.6	63.8	0	0	0	0	113.3	Y537 N538 N541	Y537-T543 WeakPolarHBondContact CA-O 3.49Å; Y537-T543 WeakPolarHBondContact CD2-O 3.47Å; N538-T543 PolarHBondContact N-O 3.24Å; N538-T543 PolarHBondContact O-N 2.86Å; N541-T543 VanDerWaalsContact CG-OG1 3.27Å; N541-T543 PolarHBondContact ND2-OG1 3.06Å; N541-T543 WeakPolarHBondContact O-CG2 3.27Å; N541-T543 PolarHBondContact OD1-N 3.31Å; N541-T543 PolarHBondContact OD1-OG1 3.08Å
544	W	98.6	Very high	97.5	Very high	16 Å²	16	45.9 Å²	45.9	6%	0.061	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.8	168.7	-70.3	94.5	0	0	0	110.2	V473 A501 L503 N504 M519 V521 E535 R536 Y537	V473-W544 HydrophobicContact CG1-CH2 3.88Å; V473-W544 HydrophobicContact CG1-CZ2 3.92Å; V473-W544 HydrophobicContact CG2-CH2 4.15Å; V473-W544 HydrophobicContact CG2-CZ2 3.99Å; A501-W544 VanDerWaalsContact O-CD1 3.26Å; A501-W544 PolarHBondContact O-NE1 3.17Å; L503-W544 HydrophobicContact CD2-CD2 3.52Å; L503-W544 VanDerWaalsContact CD2-CE2 3.46Å; L503-W544 HydrophobicContact CD2-CE3 3.74Å; L503-W544 HydrophobicContact CD2-CG 4.1Å; L503-W544 HydrophobicContact CD2-CH2 3.83Å; L503-W544 HydrophobicContact CD2-CZ2 3.62Å; L503-W544 HydrophobicContact CD2-CZ3 3.91Å; N504-W544 PolarHBondContact ND2-O 3.16Å; M519-W544 HydrophobicContact CE-CH2 3.55Å; M519-W544 HydrophobicContact CE-CZ2 3.56Å; M519-W544 HydrophobicContact CG-CH2 4.24Å; M519-W544 HydrophobicContact SD-CH2 4.27Å; V521-W544 HydrophobicContact CB-CH2 4.21Å; V521-W544 HydrophobicContact CB-CZ3 4Å; V521-W544 HydrophobicContact CG1-CE3 4.04Å; V521-W544 HydrophobicContact CG1-CH2 3.96Å; V521-W544 HydrophobicContact CG1-CZ3 3.43Å; V521-W544 VanDerWaalsContact CG1-CZ3 3.43Å; E535-W544 HydrophobicContact CB-CE3 3.72Å; E535-W544 HydrophobicContact CB-CZ3 4.33Å; R536-W544 WeakPolarHBondContact O-CA 3.48Å; Y537-W544 AromaticContact CD2-CD1 3.85Å; Y537-W544 AromaticContact CD2-CD2 3.96Å; Y537-W544 HydrophobicContact CD2-CD2 3.96Å; Y537-W544 AromaticContact CD2-CE2 3.63Å; Y537-W544 HydrophobicContact CD2-CG 4.11Å; Y537-W544 HydrophobicContact CD2-CZ2 4.16Å; Y537-W544 AromaticContact CD2-NE1 3.51Å; Y537-W544 HydrophobicContact CG-CD2 4.25Å; Y537-W544 AromaticContact CG-CE2 3.93Å; Y537-W544 HydrophobicContact CG-CH2 4.43Å; Y537-W544 HydrophobicContact CG-CZ2 4.05Å
545	T	98.5	Very high	97.4	Very high	67 Å²	67	48.1 Å²	48.1	41%	0.411	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.4	178	-52.8	0	0	0	0	110	E535 R536 V547	E535-T545 CarbonylContact C-O 3.57Å; E535-T545 WeakPolarHBondContact CA-O 3.38Å; R536-T545 PolarHBondContact N-O 2.9Å; R536-T545 PolarHBondContact O-N 2.95Å; T545-V547 PolarHBondContact O-N 3.29Å
546	L	98.6	Very high	97.3	Very high	93 Å²	93	48.4 Å²	48.4	49%	0.487	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	130.8	170.9	-75.4	164.2	0	0	0	110	I505 V534 E535	I505-L546 HydrophobicContact CD1-CD2 4.04Å; V534-L546 WeakPolarHBondContact O-CA 3.31Å; E535-L546 HydrophobicContact CG-CD2 3.59Å; E535-L546 HydrophobicContact CG-CG 4.21Å
547	V	98.7	Very high	97.3	Very high	21 Å²	21	45.3 Å²	45.3	13%	0.127	26%	0.258	C	S	.	.			trans	-108.4	-176.3	170.9	-60.3	0	0	0	0	109.4	V534 R536 T545 Y584	V534-V547 HydrophobicContact CB-CG2 3.69Å; V534-V547 HydrophobicContact CG1-CG2 3.56Å; V534-V547 PolarHBondContact O-N 3.09Å; R536-V547 HydrophobicContact CB-CG1 3.81Å; T545-V547 PolarHBondContact O-N 3.29Å; V547-Y584 HydrophobicContact CG2-CE2 4.46Å
548	A	98	Very high	97.2	Very high	18 Å²	18	45.5 Å²	45.5	15%	0.149	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-54.3	134.2	179.3	0	0	0	0	0	111.1	Y584 N589 W591	A548-Y584 HydrophobicContact CB-CE2 4.35Å; A548-N589 WeakPolarHBondContact CB-O 3.11Å; A548-N589 WeakPolarHBondContact CB-OD1 3.5Å; A548-N589 PolarHBondContact N-OD1 3.16Å; A548-W591 PolarHBondContact O-NE1 3.2Å
549	P	98.2	Very high	97.2	Very high	71 Å²	71	44.8 Å²	44.8	46%	0.461	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-75	151.2	177.4	32.5	-35	0	0	0	110.7	N532 W591	N532-P549 CarbonylContact O-C 3.56Å; N532-P549 WeakPolarHBondContact O-CA 3.44Å; P549-W591 PolarHBondContact O-NE1 2.97Å
550	M	98.6	Very high	97.3	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.02	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-58.3	157	169.6	-77.9	-175.7	-57.3	0	0	112	I522 N532 V534 R554 V568 E582 W591	I522-M550 HydrophobicContact CG2-CE 3.66Å; I522-M550 HydrophobicContact CG2-CG 4.34Å; I522-M550 HydrophobicContact CG2-SD 3.37Å; I522-M550 WeakPolarHBondContact CG2-SD 3.22Å; N532-M550 HydrophobicContact CB-CB 4.02Å; N532-M550 WeakPolarHBondContact CB-O 3.46Å; N532-M550 PolarHBondContact ND2-O 3.4Å; N532-M550 PolarHBondContact O-N 3.46Å; V534-M550 HydrophobicContact CG2-CG 4.12Å; M550-R554 HydrophobicContact CE-CG 3.5Å; M550-R554 HydrophobicContact SD-CG 3.95Å; M550-V568 HydrophobicContact SD-CB 4.35Å; M550-V568 HydrophobicContact SD-CG1 3.86Å; M550-V568 HydrophobicContact SD-CG2 4.35Å; M550-E582 VanDerWaalsContact CB-OE1 3.27Å; M550-E582 WeakPolarHBondContact CB-OE1 3.5Å; M550-E582 HydrophobicContact CG-CG 4.41Å; M550-E582 WeakPolarHBondContact CG-OE1 3.47Å; M550-W591 HydrophobicContact CG-CD2 3.85Å; M550-W591 HydrophobicContact CG-CE3 3.9Å; M550-W591 HydrophobicContact CG-CH2 3.64Å; M550-W591 HydrophobicContact CG-CZ2 3.6Å; M550-W591 HydrophobicContact CG-CZ3 3.78Å; M550-W591 HydrophobicContact SD-CH2 4.17Å; M550-W591 HydrophobicContact SD-CZ3 4.32Å
551	N	95.3	Very high	97.3	Very high	95 Å²	95	39 Å²	39	51%	0.508	23%	0.228	S	C	.	.	S	Bend	trans	-68	-38.7	173.6	-63.2	-77.5	0	0	0	111.2	E582 W591 M593	N551-E582 PolarHBondContact N-OE2 3.29Å; N551-E582 PolarHBondContact ND2-OE2 2.95Å; N551-W591 VanDerWaalsContact ND2-CB 3.35Å; N551-W591 WeakPolarHBondContact ND2-CB 3.19Å; N551-M593 HydrophobicContact CB-SD 4.04Å
552	V	91.7	Very high	97.2	Very high	39 Å²	39	36.4 Å²	36.4	24%	0.236	21%	0.213	C	C	.	.	S	Bend	trans	-115.8	129.2	-177.1	-176.6	0	0	0	0	109.8	D573 L578	V552-D573 HydrophobicContact CG1-CB 4.41Å; V552-L578 HydrophobicContact CG1-CD1 3.82Å
553	A	96	Very high	97.1	Very high	31 Å²	31	36.7 Å²	36.7	26%	0.256	23%	0.226	S	C	.	.			trans	-71.1	129.2	171	0	0	0	0	0	109.5	C530 N532 D573	C530-A553 HydrophobicContact CB-CB 4.11Å; N532-A553 HydrophobicContact CB-CB 3.99Å; A553-D573 VanDerWaalsContact O-CA 3.3Å; A553-D573 WeakPolarHBondContact O-CA 3.38Å; A553-D573 WeakPolarHBondContact O-CB 3.15Å
554	R	97.3	Very high	97	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	23%	0.228	C	C	.	.			trans	-148.5	135.2	-173.2	53.7	177	93.8	-133.2	6.5	111.6	G524 L531 M550 A557 G570 F572 L578 C580 E582	G524-R554 PolarHBondContact N-O 3.32Å; L531-R554 PolarHBondContact O-N 3.2Å; M550-R554 HydrophobicContact CE-CG 3.5Å; M550-R554 HydrophobicContact SD-CG 3.95Å; R554-A557 HydrophobicContact CB-CB 4.35Å; R554-A557 VanDerWaalsContact CD-CB 3.45Å; R554-A557 HydrophobicContact CG-CB 3.94Å; R554-G570 WeakPolarHBondContact CD-O 3.5Å; R554-G570 PolarHBondContact NH1-O 2.92Å; R554-F572 WeakPolarHBondContact CA-O 3.41Å; R554-L578 HydrophobicContact CB-CD1 3.96Å; R554-C580 PolarHBondContact NH1-O 3.47Å; R554-E582 IonicContact CZ-OE1 3.44Å; R554-E582 VanDerWaalsContact CZ-OE1 3.28Å; R554-E582 IonicContact NE-OE1 2.68Å; R554-E582 PolarHBondContact NE-OE1 3.46Å; R554-E582 VanDerWaalsContact NE-OE1 3.13Å; R554-E582 VanDerWaalsContact NH2-CD 3.33Å; R554-E582 IonicContact NH2-OE1 2.82Å; R554-E582 PolarHBondContact NH2-OE1 3.08Å
555	R	96.9	Very high	96.9	Very high	47 Å²	47	38.2 Å²	38.2	18%	0.177	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-110.3	151.9	165.2	72.9	-177.7	-177	172.6	-5.8	110.2	Q509 A525 A557 G571 F572	Q509-R555 HydrophobicContact CB-CB 4.31Å; A525-R555 HydrophobicContact CB-CB 3.97Å; R555-A557 PolarHBondContact O-N 3.43Å; R555-G571 CarbonylContact O-C 3.5Å; R555-G571 WeakPolarHBondContact O-CA 3.46Å; R555-F572 HydrophobicContact CG-CB 4.14Å; R555-F572 HydrophobicContact CG-CD1 4.24Å; R555-F572 PolarHBondContact N-O 3.35Å; R555-F572 PolarHBondContact O-N 2.89Å
556	G	96.8	Very high	96.9	Very high	7 Å²	7	35 Å²	35	7%	0.072	22%	0.219	C	C	.	.	S	Bend	trans	64.3	25.1	180	0	0	0	0	0	113.3	Q509 N603	Q509-G556 PolarHBondContact O-N 3.4Å; G556-N603 WeakPolarHBondContact CA-ND2 3.44Å; G556-N603 WeakPolarHBondContact O-CA 3.48Å; G556-N603 PolarHBondContact O-N 2.89Å
557	A	98.1	Very high	96.9	Very high	12 Å²	12	31.3 Å²	31.3	10%	0.099	20%	0.199	C	C	.	.			trans	-76.1	155.8	171.1	0	0	0	0	0	110.1	A511 R554 R555 V568	A511-A557 WeakPolarHBondContact CB-O 3.41Å; R554-A557 HydrophobicContact CB-CB 4.35Å; R554-A557 VanDerWaalsContact CD-CB 3.45Å; R554-A557 HydrophobicContact CG-CB 3.94Å; R555-A557 PolarHBondContact O-N 3.43Å; A557-V568 HydrophobicContact CB-CG1 3.91Å
558	A	97.6	Very high	96.9	Very high	12 Å²	12	30.3 Å²	30.3	10%	0.099	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	153.9	174	0	0	0	0	0	109.6	V568 V569 V606	A558-V568 WeakPolarHBondContact O-CA 3.33Å; A558-V569 PolarHBondContact N-O 3.39Å; A558-V569 PolarHBondContact O-N 3.25Å; A558-V606 HydrophobicContact CB-CB 3.64Å; A558-V606 HydrophobicContact CB-CG1 3.41Å; A558-V606 VanDerWaalsContact CB-CG1 3.41Å
559	V	98.4	Very high	96.9	Very high	16 Å²	16	29.6 Å²	29.6	10%	0.097	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133	177.6	61	0	0	0	0	111.6	A511 C513 I522 L566 F567 V568 V606	A511-V559 HydrophobicContact CB-CB 3.81Å; A511-V559 HydrophobicContact CB-CG1 3.53Å; C513-V559 HydrophobicContact CB-CG1 3.77Å; C513-V559 HydrophobicContact CB-CG2 4.31Å; I522-V559 HydrophobicContact CD1-CB 4.14Å; I522-V559 HydrophobicContact CD1-CG1 4.38Å; I522-V559 HydrophobicContact CD1-CG2 3.69Å; V559-L566 HydrophobicContact CG2-CB 4.2Å; V559-F567 VanDerWaalsContact CA-O 3.3Å; V559-F567 WeakPolarHBondContact CA-O 3.16Å; V559-V568 HydrophobicContact CG2-CG2 4.2Å; V559-V606 VanDerWaalsContact N-CG1 3.34Å; V559-V606 WeakPolarHBondContact O-CG1 3.37Å
560	A	97.1	Very high	96.9	Very high	5 Å²	5	26.2 Å²	26.2	4%	0.041	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	152.1	171.6	0	0	0	0	0	110.2	F567 V606 M608 I613	A560-F567 PolarHBondContact N-O 3.07Å; A560-F567 PolarHBondContact O-N 2.98Å; A560-V606 HydrophobicContact CB-CG1 4.1Å; A560-V606 HydrophobicContact CB-CG2 4.04Å; A560-M608 HydrophobicContact CB-CG 4.22Å; A560-M608 HydrophobicContact CB-SD 4.22Å; A560-I613 HydrophobicContact CB-CG1 4.3Å; A560-I613 HydrophobicContact CB-CG2 4Å
561	V	97	Very high	96.9	Very high	47 Å²	47	26 Å²	26	29%	0.285	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.6	179.2	-179.2	0	0	0	0	109	C513 E514 L515 K565 L566 M608	C513-V561 HydrophobicContact CB-CG2 3.9Å; E514-V561 WeakPolarHBondContact O-CG2 3.36Å; L515-V561 HydrophobicContact CB-CG1 4.24Å; L515-V561 HydrophobicContact CD1-CG1 3.71Å; L515-V561 HydrophobicContact CG-CG1 4.37Å; V561-K565 WeakPolarHBondContact CA-O 3.49Å; V561-L566 HydrophobicContact CG2-CD2 3.84Å; V561-M608 WeakPolarHBondContact O-CG 3.38Å
562	H	94.8	Very high	96.9	Very high	35 Å²	35	23.7 Å²	23.7	16%	0.162	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	137.6	-178.3	179.1	74.6	0	0	0	110.2	G564 K565 F567 M608 E611	H562-G564 PolarHBondContact O-N 3.25Å; H562-G564 VanDerWaalsContact O-N 3.1Å; H562-K565 PolarHBondContact N-O 3.15Å; H562-K565 PolarHBondContact O-N 3.27Å; H562-F567 HydrophobicContact CB-CD2 3.96Å; H562-F567 HydrophobicContact CB-CE2 3.72Å; H562-F567 HydrophobicContact CB-CZ 4.46Å; H562-M608 HydrophobicContact CB-CE 4.01Å; H562-M608 HydrophobicContact CB-SD 3.79Å; H562-M608 VanDerWaalsContact ND1-CE 3.28Å; H562-M608 WeakPolarHBondContact ND1-CE 3.34Å; H562-E611 PolarHBondContact CE1-O 3.2Å; H562-E611 VanDerWaalsContact CE1-O 3.32Å
563	A	94	Very high	97	Very high	81 Å²	81	24.5 Å²	24.5	67%	0.669	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.5	40.5	178.4	0	0	0	0	0	114.4	K565	A563-K565 VanDerWaalsContact C-N 3.32Å; A563-K565 PolarHBondContact O-N 2.91Å
564	G	96.3	Very high	96.3	Very high	36 Å²	36	25 Å²	25	37%	0.371	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	20.1	-179.7	0	0	0	0	0	114.8	L515 H562 P586	L515-G564 WeakPolarHBondContact CD2-O 3.31Å; H562-G564 PolarHBondContact O-N 3.25Å; H562-G564 VanDerWaalsContact O-N 3.1Å; G564-P586 WeakPolarHBondContact O-CD 3.23Å
565	K	97.9	Very high	95.4	Very high	64 Å²	64	29.1 Å²	29.1	28%	0.278	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	157.7	-177.1	-60.2	-173.2	-173.1	-160.4	0	111.6	V561 H562 A563 F567 V583 Y584 D585	V561-K565 WeakPolarHBondContact CA-O 3.49Å; H562-K565 PolarHBondContact N-O 3.15Å; H562-K565 PolarHBondContact O-N 3.27Å; A563-K565 VanDerWaalsContact C-N 3.32Å; A563-K565 PolarHBondContact O-N 2.91Å; K565-F567 HydrophobicContact CB-CD2 4.47Å; K565-F567 HydrophobicContact CB-CE2 3.98Å; K565-V583 HydrophobicContact CB-CG2 3.62Å; K565-V583 HydrophobicContact CD-CG2 3.95Å; K565-V583 HydrophobicContact CG-CG2 4.37Å; K565-Y584 WeakPolarHBondContact CA-O 3.5Å; K565-Y584 WeakPolarHBondContact CB-O 3.39Å; K565-D585 HydrophobicContact CD-CB 4.49Å; K565-D585 VanDerWaalsContact CE-OD2 3.24Å; K565-D585 WeakPolarHBondContact CE-OD2 3.32Å; K565-D585 IonicContact NZ-OD2 2.74Å; K565-D585 PolarHBondContact NZ-OD2 3.14Å
566	L	98.6	Very high	94.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.1	179.9	-44.3	177.6	0	0	0	109.4	L515 Y520 I522 V559 V561 V583 Y584	L515-L566 HydrophobicContact CB-CD2 3.82Å; L515-L566 HydrophobicContact CD2-CD2 3.47Å; L515-L566 VanDerWaalsContact CD2-CD2 3.47Å; L515-L566 HydrophobicContact CD2-CG 4.06Å; L515-L566 HydrophobicContact CG-CD2 4.28Å; Y520-L566 HydrophobicContact CD1-CD1 3.71Å; Y520-L566 HydrophobicContact CD2-CD1 3.93Å; Y520-L566 HydrophobicContact CE1-CD1 4.18Å; Y520-L566 HydrophobicContact CE2-CD1 4.4Å; Y520-L566 HydrophobicContact CG-CD1 3.57Å; I522-L566 HydrophobicContact CD1-CD1 4.14Å; V559-L566 HydrophobicContact CG2-CB 4.2Å; V561-L566 HydrophobicContact CG2-CD2 3.84Å; L566-V583 CarbonylContact O-C 3.54Å; L566-V583 VanDerWaalsContact O-CA 3.26Å; L566-V583 WeakPolarHBondContact O-CA 3.43Å; L566-Y584 HydrophobicContact CD1-CD1 3.7Å; L566-Y584 HydrophobicContact CD1-CE1 4.43Å; L566-Y584 HydrophobicContact CD1-CG 4.45Å; L566-Y584 HydrophobicContact CG-CD1 4.05Å; L566-Y584 PolarHBondContact N-O 3.45Å; L566-Y584 VanDerWaalsContact N-O 3.16Å; L566-Y584 PolarHBondContact O-N 2.82Å
567	F	98.3	Very high	94.5	Very high	15 Å²	15	33 Å²	33	7%	0.066	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	111	177.7	-72.7	-110	0	0	0	108.7	V559 A560 H562 K565 V583 L594 I613 Y631	V559-F567 VanDerWaalsContact CA-O 3.3Å; V559-F567 WeakPolarHBondContact CA-O 3.16Å; A560-F567 PolarHBondContact N-O 3.07Å; A560-F567 PolarHBondContact O-N 2.98Å; H562-F567 HydrophobicContact CB-CD2 3.96Å; H562-F567 HydrophobicContact CB-CE2 3.72Å; H562-F567 HydrophobicContact CB-CZ 4.46Å; K565-F567 HydrophobicContact CB-CD2 4.47Å; K565-F567 HydrophobicContact CB-CE2 3.98Å; F567-V583 HydrophobicContact CD1-CB 4.43Å; F567-V583 HydrophobicContact CD1-CG2 4.41Å; F567-V583 HydrophobicContact CD2-CG2 4.01Å; F567-V583 HydrophobicContact CE1-CB 4.44Å; F567-V583 HydrophobicContact CE1-CG2 4.25Å; F567-V583 HydrophobicContact CE2-CG2 3.81Å; F567-V583 HydrophobicContact CG-CG2 4.3Å; F567-V583 HydrophobicContact CZ-CG2 3.95Å; F567-L594 HydrophobicContact CD1-CD1 3.5Å; F567-L594 VanDerWaalsContact CD1-CD1 3.5Å; F567-L594 HydrophobicContact CE1-CD1 3.36Å; F567-L594 HydrophobicContact CZ-CD1 4.43Å; F567-I613 HydrophobicContact CB-CD1 3.87Å; F567-I613 HydrophobicContact CD1-CD1 3.52Å; F567-I613 HydrophobicContact CD2-CD1 4.19Å; F567-I613 HydrophobicContact CE1-CD1 4.05Å; F567-I613 HydrophobicContact CG-CD1 3.6Å; F567-Y631 HydrophobicContact CD1-CE1 4.28Å; F567-Y631 HydrophobicContact CE1-CD1 4.42Å; F567-Y631 AromaticContact CE1-CE1 3.69Å; F567-Y631 HydrophobicContact CE1-CE1 3.69Å
568	V	98.6	Very high	94.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	119.7	-178.6	-176.8	0	0	0	0	109.4	I522 M550 A557 A558 V559 V581 E582 W591	I522-V568 HydrophobicContact CD1-CG2 4.03Å; I522-V568 HydrophobicContact CG2-CG1 4.22Å; I522-V568 HydrophobicContact CG2-CG2 3.8Å; M550-V568 HydrophobicContact SD-CB 4.35Å; M550-V568 HydrophobicContact SD-CG1 3.86Å; M550-V568 HydrophobicContact SD-CG2 4.35Å; A557-V568 HydrophobicContact CB-CG1 3.91Å; A558-V568 WeakPolarHBondContact O-CA 3.33Å; V559-V568 HydrophobicContact CG2-CG2 4.2Å; V568-V581 WeakPolarHBondContact O-CA 3.47Å; V568-E582 HydrophobicContact CB-CG 4.28Å; V568-E582 PolarHBondContact N-O 3.28Å; V568-E582 PolarHBondContact O-N 2.95Å; V568-W591 HydrophobicContact CB-CZ3 4.11Å; V568-W591 HydrophobicContact CG2-CH2 3.56Å; V568-W591 HydrophobicContact CG2-CZ3 3.47Å; V568-W591 VanDerWaalsContact CG2-CZ3 3.47Å
569	V	98.1	Very high	94.3	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.024	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.8	-165.4	-177.5	0	0	0	0	109.6	A558 V581 M597 V606 V615 W638	A558-V569 PolarHBondContact N-O 3.39Å; A558-V569 PolarHBondContact O-N 3.25Å; V569-V581 HydrophobicContact CG1-CG2 4.17Å; V569-V581 HydrophobicContact CG2-CG1 4.05Å; V569-V581 HydrophobicContact CG2-CG2 4.34Å; V569-M597 HydrophobicContact CG1-CE 3.69Å; V569-M597 HydrophobicContact CG1-CG 4.05Å; V569-M597 HydrophobicContact CG1-SD 3.17Å; V569-M597 WeakPolarHBondContact CG1-SD 3.19Å; V569-V606 HydrophobicContact CG2-CG2 4.34Å; V569-V615 HydrophobicContact CG1-CG2 4.12Å; V569-W638 HydrophobicContact CG1-CH2 3.99Å; V569-W638 HydrophobicContact CG1-CZ2 4.05Å; V569-W638 HydrophobicContact CG2-CH2 4.18Å; V569-W638 HydrophobicContact CG2-CZ2 4.09Å
570	G	98.1	Very high	94.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.231	C	C	.	.			trans	61.9	-140.8	171.7	0	0	0	0	0	114.8	R554 L578 C580 R601	R554-G570 WeakPolarHBondContact CD-O 3.5Å; R554-G570 PolarHBondContact NH1-O 2.92Å; G570-L578 VanDerWaalsContact CA-O 3.31Å; G570-L578 WeakPolarHBondContact CA-O 3.17Å; G570-C580 PolarHBondContact N-O 3.48Å; G570-R601 CarbonylContact C-O 3.53Å; G570-R601 WeakPolarHBondContact CA-O 3.31Å
571	G	98	Very high	94.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.229	C	C	.	.			trans	101.1	-164.4	-173	0	0	0	0	0	112.9	R555 A577 L578 R601 S602	R555-G571 CarbonylContact O-C 3.5Å; R555-G571 WeakPolarHBondContact O-CA 3.46Å; G571-A577 CarbonylContact O-C 3.57Å; G571-A577 WeakPolarHBondContact O-CA 3.43Å; G571-L578 PolarHBondContact O-N 2.94Å; G571-R601 PolarHBondContact N-O 3.11Å; G571-S602 WeakPolarHBondContact O-CB 3.44Å
572	F	96.1	Very high	94.3	Very high	45 Å²	45	37.2 Å²	37.2	20%	0.197	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-132.1	128.9	-179.4	-179.9	-98	0	0	0	109.9	C530 R554 R555 G574 S575 H576	C530-F572 PolarHBondContact SG-O 3.06Å; R554-F572 WeakPolarHBondContact CA-O 3.41Å; R555-F572 HydrophobicContact CG-CB 4.14Å; R555-F572 HydrophobicContact CG-CD1 4.24Å; R555-F572 PolarHBondContact N-O 3.35Å; R555-F572 PolarHBondContact O-N 2.89Å; F572-G574 VanDerWaalsContact CE1-N 3.33Å; F572-G574 WeakPolarHBondContact CE1-O 3.47Å; F572-G574 VanDerWaalsContact CZ-O 3.32Å; F572-G574 WeakPolarHBondContact CZ-O 3.33Å; F572-S575 VanDerWaalsContact CE2-C 3.43Å; F572-S575 WeakPolarHBondContact CE2-O 3.29Å; F572-H576 WeakPolarHBondContact CA-O 3.34Å; F572-H576 WeakPolarHBondContact CD2-O 3.42Å
573	D	92.1	Very high	94.4	Very high	56 Å²	56	35.9 Å²	35.9	30%	0.299	21%	0.21	S	C	.	.			trans	-88.8	-5.7	-174.4	67.1	-2.6	0	0	0	114.9	V552 A553 S575 H576 L578	V552-D573 HydrophobicContact CG1-CB 4.41Å; A553-D573 VanDerWaalsContact O-CA 3.3Å; A553-D573 WeakPolarHBondContact O-CA 3.38Å; A553-D573 WeakPolarHBondContact O-CB 3.15Å; D573-S575 WeakPolarHBondContact OD1-CA 3.32Å; D573-S575 PolarHBondContact OD1-N 2.99Å; D573-H576 PolarHBondContact N-O 3.21Å; D573-H576 PolarHBondContact OD1-N 3.48Å; D573-L578 HydrophobicContact CB-CD1 4.14Å; D573-L578 HydrophobicContact CB-CD2 4.04Å; D573-L578 HydrophobicContact CB-CG 4.35Å
574	G	81.6	Confident	94.7	Very high	42 Å²	42	32.2 Å²	32.2	43%	0.433	18%	0.179	S	C	.	.	S	Bend	trans	118	-21.7	-171	0	0	0	0	0	112.3	C530 F572	C530-G574 PolarHBondContact SG-N 3.36Å; C530-G574 VanDerWaalsContact SG-N 3.45Å; F572-G574 VanDerWaalsContact CE1-N 3.33Å; F572-G574 WeakPolarHBondContact CE1-O 3.47Å; F572-G574 VanDerWaalsContact CZ-O 3.32Å; F572-G574 WeakPolarHBondContact CZ-O 3.33Å
575	S	79.9	Confident	94.8	Very high	87 Å²	87	31.9 Å²	31.9	61%	0.608	17%	0.169	S	C	*	.	S	Bend	trans	-127.9	-44.9	-176.1	-57.7	0	0	0	0	112.3	F572 D573	F572-S575 VanDerWaalsContact CE2-C 3.43Å; F572-S575 WeakPolarHBondContact CE2-O 3.29Å; D573-S575 WeakPolarHBondContact OD1-CA 3.32Å; D573-S575 PolarHBondContact OD1-N 2.99Å
576	H	82.7	Confident	94.7	Very high	127 Å²	127	30.3 Å²	30.3	59%	0.588	17%	0.165	S	C	*	.	S	Bend	trans	-131	149.1	-171.4	-51.3	98	0	0	0	112.2	F572 D573	F572-H576 WeakPolarHBondContact CA-O 3.34Å; F572-H576 WeakPolarHBondContact CD2-O 3.42Å; D573-H576 PolarHBondContact N-O 3.21Å; D573-H576 PolarHBondContact OD1-N 3.48Å
577	A	91.6	Very high	94.7	Very high	8 Å²	8	35 Å²	35	7%	0.066	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-69.9	135.5	160.6	0	0	0	0	0	108.8	G571 S600 F619 D620	G571-A577 CarbonylContact O-C 3.57Å; G571-A577 WeakPolarHBondContact O-CA 3.43Å; A577-S600 WeakPolarHBondContact O-CB 3.38Å; A577-S600 PolarHBondContact O-OG 3.27Å; A577-F619 WeakPolarHBondContact CB-O 3.33Å; A577-D620 VanDerWaalsContact CB-C 3.45Å; A577-D620 WeakPolarHBondContact CB-O 3.24Å
578	L	94.4	Very high	94.6	Very high	17 Å²	17	42.3 Å²	42.3	9%	0.089	23%	0.231	C	C	.	.			trans	-98.5	142.5	-170.4	-60.6	174.6	0	0	0	111	V552 R554 G570 G571 D573 R601	V552-L578 HydrophobicContact CG1-CD1 3.82Å; R554-L578 HydrophobicContact CB-CD1 3.96Å; G570-L578 VanDerWaalsContact CA-O 3.31Å; G570-L578 WeakPolarHBondContact CA-O 3.17Å; G571-L578 PolarHBondContact O-N 2.94Å; D573-L578 HydrophobicContact CB-CD1 4.14Å; D573-L578 HydrophobicContact CB-CD2 4.04Å; D573-L578 HydrophobicContact CB-CG 4.35Å; L578-R601 PolarHBondContact O-N 3.47Å
579	R	96.9	Very high	94.6	Very high	144 Å²	144	46 Å²	46	54%	0.543	25%	0.25	S	S	.	.			trans	-98.4	-11.2	163.4	65.2	173.5	-177.6	-174	-0	113.7	S596 M597	R579-S596 WeakPolarHBondContact O-CA 3.43Å; R579-M597 HydrophobicContact CB-CB 4.26Å; R579-M597 PolarHBondContact O-N 2.97Å
580	C	95.3	Very high	94.5	Very high	19 Å²	19	48.2 Å²	48.2	13%	0.128	26%	0.262	C	S	.	.			trans	-74	143	-171.2	68.5	0	0	0	0	112.1	R554 G570 M593	R554-C580 PolarHBondContact NH1-O 3.47Å; G570-C580 PolarHBondContact N-O 3.48Å; C580-M593 HydrophobicContact CB-CE 3.76Å
581	V	98.2	Very high	94.6	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.7	178.9	-176	0	0	0	0	108.7	V568 V569 L594 M597 W638	V568-V581 WeakPolarHBondContact O-CA 3.47Å; V569-V581 HydrophobicContact CG1-CG2 4.17Å; V569-V581 HydrophobicContact CG2-CG1 4.05Å; V569-V581 HydrophobicContact CG2-CG2 4.34Å; V581-L594 HydrophobicContact CB-CB 4.2Å; V581-L594 HydrophobicContact CG1-CB 4.21Å; V581-L594 HydrophobicContact CG1-CD1 4.15Å; V581-L594 PolarHBondContact O-N 3.35Å; V581-M597 HydrophobicContact CG2-CG 4.22Å; V581-W638 HydrophobicContact CG2-CZ2 3.8Å
582	E	98	Very high	94.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	143.8	171.6	61.8	-174.8	131.3	0	0	111.3	M550 N551 R554 V568 W591 R592 M593	M550-E582 VanDerWaalsContact CB-OE1 3.27Å; M550-E582 WeakPolarHBondContact CB-OE1 3.5Å; M550-E582 HydrophobicContact CG-CG 4.41Å; M550-E582 WeakPolarHBondContact CG-OE1 3.47Å; N551-E582 PolarHBondContact N-OE2 3.29Å; N551-E582 PolarHBondContact ND2-OE2 2.95Å; R554-E582 IonicContact CZ-OE1 3.44Å; R554-E582 VanDerWaalsContact CZ-OE1 3.28Å; R554-E582 IonicContact NE-OE1 2.68Å; R554-E582 PolarHBondContact NE-OE1 3.46Å; R554-E582 VanDerWaalsContact NE-OE1 3.13Å; R554-E582 VanDerWaalsContact NH2-CD 3.33Å; R554-E582 IonicContact NH2-OE1 2.82Å; R554-E582 PolarHBondContact NH2-OE1 3.08Å; V568-E582 HydrophobicContact CB-CG 4.28Å; V568-E582 PolarHBondContact N-O 3.28Å; V568-E582 PolarHBondContact O-N 2.95Å; E582-W591 HydrophobicContact CB-CE3 4.07Å; E582-W591 HydrophobicContact CG-CE3 3.54Å; E582-W591 HydrophobicContact CG-CZ3 3.81Å; E582-R592 CarbonylContact C-O 3.54Å; E582-R592 WeakPolarHBondContact CA-O 3.5Å; E582-R592 WeakPolarHBondContact CB-O 3.47Å; E582-M593 HydrophobicContact CB-SD 3.95Å
583	V	98.5	Very high	94.5	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.4	-179.3	63.1	0	0	0	0	110.5	K565 L566 F567 W591 R592 L594	K565-V583 HydrophobicContact CB-CG2 3.62Å; K565-V583 HydrophobicContact CD-CG2 3.95Å; K565-V583 HydrophobicContact CG-CG2 4.37Å; L566-V583 CarbonylContact O-C 3.54Å; L566-V583 VanDerWaalsContact O-CA 3.26Å; L566-V583 WeakPolarHBondContact O-CA 3.43Å; F567-V583 HydrophobicContact CD1-CB 4.43Å; F567-V583 HydrophobicContact CD1-CG2 4.41Å; F567-V583 HydrophobicContact CD2-CG2 4.01Å; F567-V583 HydrophobicContact CE1-CB 4.44Å; F567-V583 HydrophobicContact CE1-CG2 4.25Å; F567-V583 HydrophobicContact CE2-CG2 3.81Å; F567-V583 HydrophobicContact CG-CG2 4.3Å; F567-V583 HydrophobicContact CZ-CG2 3.95Å; V583-W591 WeakPolarHBondContact O-CA 3.37Å; V583-R592 HydrophobicContact CG1-CB 3.92Å; V583-R592 HydrophobicContact CG1-CG 3.71Å; V583-R592 PolarHBondContact N-O 3.41Å; V583-R592 PolarHBondContact O-N 3.33Å; V583-L594 HydrophobicContact CB-CD1 3.72Å; V583-L594 HydrophobicContact CB-CG 4.19Å; V583-L594 HydrophobicContact CG1-CD1 3.83Å; V583-L594 HydrophobicContact CG1-CD2 3.9Å; V583-L594 HydrophobicContact CG1-CG 3.82Å
584	Y	98.8	Very high	94.7	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.3	172	178.1	-108.7	0	0	0	110.6	Y520 V547 A548 K565 L566 P586 N589 D590 W591	Y520-Y584 AromaticContact CE1-CE1 3.88Å; Y520-Y584 HydrophobicContact CE1-CE1 3.88Å; V547-Y584 HydrophobicContact CG2-CE2 4.46Å; A548-Y584 HydrophobicContact CB-CE2 4.35Å; K565-Y584 WeakPolarHBondContact CA-O 3.5Å; K565-Y584 WeakPolarHBondContact CB-O 3.39Å; L566-Y584 HydrophobicContact CD1-CD1 3.7Å; L566-Y584 HydrophobicContact CD1-CE1 4.43Å; L566-Y584 HydrophobicContact CD1-CG 4.45Å; L566-Y584 HydrophobicContact CG-CD1 4.05Å; L566-Y584 PolarHBondContact N-O 3.45Å; L566-Y584 VanDerWaalsContact N-O 3.16Å; L566-Y584 PolarHBondContact O-N 2.82Å; Y584-P586 HydrophobicContact CD1-CG 3.97Å; Y584-P586 HydrophobicContact CE1-CB 3.93Å; Y584-P586 HydrophobicContact CE1-CG 3.83Å; Y584-P586 WeakPolarHBondContact O-CD 3.35Å; Y584-N589 PolarHBondContact OH-OD1 2.81Å; Y584-D590 WeakPolarHBondContact CA-O 3.34Å; Y584-D590 WeakPolarHBondContact CD2-O 3.31Å; Y584-W591 AromaticContact CD2-CD1 3.9Å; Y584-W591 HydrophobicContact CD2-CD2 4.04Å; Y584-W591 AromaticContact CD2-CE2 3.52Å; Y584-W591 HydrophobicContact CD2-CG 4.26Å; Y584-W591 AromaticContact CD2-CZ2 3.85Å; Y584-W591 HydrophobicContact CD2-CZ2 3.85Å; Y584-W591 AromaticContact CD2-NE1 3.43Å; Y584-W591 HydrophobicContact CG-CD2 4.4Å; Y584-W591 AromaticContact CG-CE2 3.94Å; Y584-W591 HydrophobicContact CG-CH2 4.28Å; Y584-W591 AromaticContact CG-CZ2 3.85Å; Y584-W591 HydrophobicContact CG-CZ2 3.85Å
585	D	98.1	Very high	95.1	Very high	29 Å²	29	55 Å²	55	16%	0.155	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	106.9	173	-169.2	-40.6	0	0	0	109.7	K565 A587 R588 N589 D590	K565-D585 HydrophobicContact CD-CB 4.49Å; K565-D585 VanDerWaalsContact CE-OD2 3.24Å; K565-D585 WeakPolarHBondContact CE-OD2 3.32Å; K565-D585 IonicContact NZ-OD2 2.74Å; K565-D585 PolarHBondContact NZ-OD2 3.14Å; D585-A587 PolarHBondContact O-N 3.29Å; D585-A587 WeakPolarHBondContact OD1-CB 3.33Å; D585-A587 PolarHBondContact OD1-N 2.88Å; D585-R588 HydrophobicContact CB-CB 4.25Å; D585-R588 PolarHBondContact O-N 3.23Å; D585-R588 PolarHBondContact OD1-N 2.99Å; D585-N589 WeakPolarHBondContact O-CA 3.43Å; D585-N589 PolarHBondContact O-N 3Å; D585-D590 PolarHBondContact N-O 3.16Å; D585-D590 VanDerWaalsContact N-O 3.09Å
586	P	97.5	Very high	95.8	Very high	32 Å²	32	53.4 Å²	53.4	21%	0.208	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.2	-178.7	-20.4	30.4	0	0	0	114.2	L515 G564 Y584 R588	L515-P586 HydrophobicContact CD2-CG 3.57Å; G564-P586 WeakPolarHBondContact O-CD 3.23Å; Y584-P586 HydrophobicContact CD1-CG 3.97Å; Y584-P586 HydrophobicContact CE1-CB 3.93Å; Y584-P586 HydrophobicContact CE1-CG 3.83Å; Y584-P586 WeakPolarHBondContact O-CD 3.35Å; P586-R588 VanDerWaalsContact C-N 3.31Å
587	A	97.1	Very high	96.5	Very high	97 Å²	97	47.5 Å²	47.5	80%	0.802	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-30	179.9	0	0	0	0	0	111.6	D585	D585-A587 PolarHBondContact O-N 3.29Å; D585-A587 WeakPolarHBondContact OD1-CB 3.33Å; D585-A587 PolarHBondContact OD1-N 2.88Å
588	R	97.2	Very high	96.7	Very high	169 Å²	169	51 Å²	51	64%	0.638	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-18.7	179.9	-63.4	173.1	55.5	83.5	7.2	113.3	D585 P586 D590	D585-R588 HydrophobicContact CB-CB 4.25Å; D585-R588 PolarHBondContact O-N 3.23Å; D585-R588 PolarHBondContact OD1-N 2.99Å; P586-R588 VanDerWaalsContact C-N 3.31Å; R588-D590 VanDerWaalsContact C-N 3.29Å; R588-D590 WeakPolarHBondContact CB-OD1 3.41Å; R588-D590 IonicContact CZ-OD2 2.63Å; R588-D590 VanDerWaalsContact CZ-OD2 3.26Å; R588-D590 IonicContact NE-OD1 3.75Å; R588-D590 PolarHBondContact NE-OD1 3.1Å; R588-D590 IonicContact NE-OD2 2.69Å; R588-D590 PolarHBondContact NE-OD2 3.03Å; R588-D590 IonicContact NH2-OD2 3.04Å; R588-D590 PolarHBondContact NH2-OD2 3.35Å; R588-D590 PolarHBondContact O-N 3.26Å
589	N	97.6	Very high	96.5	Very high	77 Å²	77	52 Å²	52	41%	0.412	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	49.7	-171.4	-177.1	40.4	0	0	0	111	A548 Y584 D585	A548-N589 WeakPolarHBondContact CB-O 3.11Å; A548-N589 WeakPolarHBondContact CB-OD1 3.5Å; A548-N589 PolarHBondContact N-OD1 3.16Å; Y584-N589 PolarHBondContact OH-OD1 2.81Å; D585-N589 WeakPolarHBondContact O-CA 3.43Å; D585-N589 PolarHBondContact O-N 3Å
590	D	97.5	Very high	96.4	Very high	51 Å²	51	46.9 Å²	46.9	27%	0.273	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	163.3	177.2	67.2	0.7	0	0	0	112.2	Y584 D585 R588	Y584-D590 WeakPolarHBondContact CA-O 3.34Å; Y584-D590 WeakPolarHBondContact CD2-O 3.31Å; D585-D590 PolarHBondContact N-O 3.16Å; D585-D590 VanDerWaalsContact N-O 3.09Å; R588-D590 VanDerWaalsContact C-N 3.29Å; R588-D590 WeakPolarHBondContact CB-OD1 3.41Å; R588-D590 IonicContact CZ-OD2 2.63Å; R588-D590 VanDerWaalsContact CZ-OD2 3.26Å; R588-D590 IonicContact NE-OD1 3.75Å; R588-D590 PolarHBondContact NE-OD1 3.1Å; R588-D590 IonicContact NE-OD2 2.69Å; R588-D590 PolarHBondContact NE-OD2 3.03Å; R588-D590 IonicContact NH2-OD2 3.04Å; R588-D590 PolarHBondContact NH2-OD2 3.35Å; R588-D590 PolarHBondContact O-N 3.26Å
591	W	98.4	Very high	96.6	Very high	25 Å²	25	46.1 Å²	46.1	10%	0.095	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.1	179.6	-68.5	85.8	0	0	0	110.5	I522 V534 A548 P549 M550 N551 V568 E582 V583 Y584	I522-W591 HydrophobicContact CG2-CH2 4.19Å; V534-W591 HydrophobicContact CB-CZ2 4.42Å; V534-W591 HydrophobicContact CG1-CZ2 4.46Å; V534-W591 HydrophobicContact CG2-CH2 4.44Å; V534-W591 HydrophobicContact CG2-CZ2 3.66Å; A548-W591 PolarHBondContact O-NE1 3.2Å; P549-W591 PolarHBondContact O-NE1 2.97Å; M550-W591 HydrophobicContact CG-CD2 3.85Å; M550-W591 HydrophobicContact CG-CE3 3.9Å; M550-W591 HydrophobicContact CG-CH2 3.64Å; M550-W591 HydrophobicContact CG-CZ2 3.6Å; M550-W591 HydrophobicContact CG-CZ3 3.78Å; M550-W591 HydrophobicContact SD-CH2 4.17Å; M550-W591 HydrophobicContact SD-CZ3 4.32Å; N551-W591 VanDerWaalsContact ND2-CB 3.35Å; N551-W591 WeakPolarHBondContact ND2-CB 3.19Å; V568-W591 HydrophobicContact CB-CZ3 4.11Å; V568-W591 HydrophobicContact CG2-CH2 3.56Å; V568-W591 HydrophobicContact CG2-CZ3 3.47Å; V568-W591 VanDerWaalsContact CG2-CZ3 3.47Å; E582-W591 HydrophobicContact CB-CE3 4.07Å; E582-W591 HydrophobicContact CG-CE3 3.54Å; E582-W591 HydrophobicContact CG-CZ3 3.81Å; V583-W591 WeakPolarHBondContact O-CA 3.37Å; Y584-W591 AromaticContact CD2-CD1 3.9Å; Y584-W591 HydrophobicContact CD2-CD2 4.04Å; Y584-W591 AromaticContact CD2-CE2 3.52Å; Y584-W591 HydrophobicContact CD2-CG 4.26Å; Y584-W591 AromaticContact CD2-CZ2 3.85Å; Y584-W591 HydrophobicContact CD2-CZ2 3.85Å; Y584-W591 AromaticContact CD2-NE1 3.43Å; Y584-W591 HydrophobicContact CG-CD2 4.4Å; Y584-W591 AromaticContact CG-CE2 3.94Å; Y584-W591 HydrophobicContact CG-CH2 4.28Å; Y584-W591 AromaticContact CG-CZ2 3.85Å; Y584-W591 HydrophobicContact CG-CZ2 3.85Å
592	R	97.4	Very high	96.5	Very high	141 Å²	141	46.3 Å²	46.3	53%	0.532	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.6	178.5	142.9	-175	160.2	176.9	-7.8	109	E582 V583 L594	E582-R592 CarbonylContact C-O 3.54Å; E582-R592 WeakPolarHBondContact CA-O 3.5Å; E582-R592 WeakPolarHBondContact CB-O 3.47Å; V583-R592 HydrophobicContact CG1-CB 3.92Å; V583-R592 HydrophobicContact CG1-CG 3.71Å; V583-R592 PolarHBondContact N-O 3.41Å; V583-R592 PolarHBondContact O-N 3.33Å; R592-L594 HydrophobicContact CG-CD2 4.16Å
593	M	96.5	Very high	96.5	Very high	88 Å²	88	47.7 Å²	47.7	43%	0.433	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	144.9	169.4	-61.7	-57.5	-60.2	0	0	110.2	N551 C580 E582	N551-M593 HydrophobicContact CB-SD 4.04Å; C580-M593 HydrophobicContact CB-CE 3.76Å; E582-M593 HydrophobicContact CB-SD 3.95Å
594	L	95.4	Very high	96.5	Very high	14 Å²	14	48.1 Å²	48.1	7%	0.073	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	178.9	176.7	-68.8	-176.2	0	0	0	110.9	F567 V581 V583 R592 S596 D636	F567-L594 HydrophobicContact CD1-CD1 3.5Å; F567-L594 VanDerWaalsContact CD1-CD1 3.5Å; F567-L594 HydrophobicContact CE1-CD1 3.36Å; F567-L594 HydrophobicContact CZ-CD1 4.43Å; V581-L594 HydrophobicContact CB-CB 4.2Å; V581-L594 HydrophobicContact CG1-CB 4.21Å; V581-L594 HydrophobicContact CG1-CD1 4.15Å; V581-L594 PolarHBondContact O-N 3.35Å; V583-L594 HydrophobicContact CB-CD1 3.72Å; V583-L594 HydrophobicContact CB-CG 4.19Å; V583-L594 HydrophobicContact CG1-CD1 3.83Å; V583-L594 HydrophobicContact CG1-CD2 3.9Å; V583-L594 HydrophobicContact CG1-CG 3.82Å; R592-L594 HydrophobicContact CG-CD2 4.16Å; L594-S596 PolarHBondContact O-N 3.2Å; L594-D636 WeakPolarHBondContact CB-OD1 3.46Å
595	G	90	Very high	96.4	Very high	18 Å²	18	48 Å²	48	19%	0.186	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-49.3	136.2	167.8	0	0	0	0	0	112.2	D636 W638	G595-D636 VanDerWaalsContact CA-O 3.3Å; G595-D636 WeakPolarHBondContact CA-O 3.48Å; G595-D636 PolarHBondContact N-OD1 3.14Å; G595-D636 PolarHBondContact N-OD2 3.39Å; G595-W638 PolarHBondContact O-NE1 3.35Å
596	S	95.4	Very high	96.4	Very high	54 Å²	54	47.1 Å²	47.1	38%	0.378	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-81.6	147.8	179.2	-66.9	0	0	0	0	111	R579 L594	R579-S596 WeakPolarHBondContact O-CA 3.43Å; L594-S596 PolarHBondContact O-N 3.2Å
597	M	96.8	Very high	96.4	Very high	2 Å²	2	46 Å²	46	1%	0.01	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-57.8	157.4	168.1	-68	-179	-64.1	0	0	111.2	V569 R579 V581 S599 R601 V615 W638	V569-M597 HydrophobicContact CG1-CE 3.69Å; V569-M597 HydrophobicContact CG1-CG 4.05Å; V569-M597 HydrophobicContact CG1-SD 3.17Å; V569-M597 WeakPolarHBondContact CG1-SD 3.19Å; R579-M597 HydrophobicContact CB-CB 4.26Å; R579-M597 PolarHBondContact O-N 2.97Å; V581-M597 HydrophobicContact CG2-CG 4.22Å; M597-S599 WeakPolarHBondContact CB-O 3.2Å; M597-R601 HydrophobicContact CE-CB 3.85Å; M597-R601 HydrophobicContact CE-CG 4.18Å; M597-R601 HydrophobicContact SD-CB 4.32Å; M597-R601 HydrophobicContact SD-CG 4.21Å; M597-V615 HydrophobicContact SD-CB 4.34Å; M597-V615 HydrophobicContact SD-CG1 3.84Å; M597-V615 HydrophobicContact SD-CG2 4Å; M597-W638 HydrophobicContact CB-CD2 4.43Å; M597-W638 HydrophobicContact CB-CG 4.45Å; M597-W638 HydrophobicContact CG-CD2 3.72Å; M597-W638 HydrophobicContact CG-CE3 4.08Å; M597-W638 HydrophobicContact CG-CG 4.19Å; M597-W638 HydrophobicContact CG-CH2 4.22Å; M597-W638 HydrophobicContact CG-CZ2 3.89Å; M597-W638 HydrophobicContact CG-CZ3 4.33Å
598	I	95	Very high	96.3	Very high	81 Å²	81	43.4 Å²	43.4	42%	0.415	22%	0.222	S	C	.	.	S	Bend	trans	-67.8	-47.7	173.9	-60.3	168.4	0	0	0	108.8	E629 W638 D640	I598-E629 WeakPolarHBondContact CB-OE2 3.24Å; I598-E629 PolarHBondContact N-OE2 3.21Å; I598-W638 HydrophobicContact CG1-CB 4.35Å; I598-D640 HydrophobicContact CD1-CB 3.78Å
599	S	91.3	Very high	96.1	Very high	38 Å²	38	36.1 Å²	36.1	27%	0.266	20%	0.195	S	C	.	.	S	Bend	trans	-102	145.9	177.9	-57.8	0	0	0	0	112.3	M597 E629	M597-S599 WeakPolarHBondContact CB-O 3.2Å; S599-E629 VanDerWaalsContact CB-OE1 3.26Å; S599-E629 WeakPolarHBondContact CB-OE1 3.49Å; S599-E629 PolarHBondContact N-OE1 3.28Å; S599-E629 VanDerWaalsContact N-OE1 3.11Å
600	S	95.3	Very high	95.6	Very high	38 Å²	38	35.9 Å²	35.9	27%	0.266	21%	0.211	S	C	.	.			trans	-70.2	133.3	166.6	-72.1	0	0	0	0	110	A577 D620	A577-S600 WeakPolarHBondContact O-CB 3.38Å; A577-S600 PolarHBondContact O-OG 3.27Å; S600-D620 WeakPolarHBondContact O-CA 3.35Å; S600-D620 WeakPolarHBondContact O-CB 3.26Å
601	R	98.3	Very high	95.2	Very high	3 Å²	3	41 Å²	41	1%	0.011	23%	0.234	C	C	.	.			trans	-139.3	111.8	-175.2	-62.2	-172.6	-175.9	-101.9	-3.6	111.6	G570 G571 L578 M597 A604 G617 L625 T627 E629	G570-R601 CarbonylContact C-O 3.53Å; G570-R601 WeakPolarHBondContact CA-O 3.31Å; G571-R601 PolarHBondContact N-O 3.11Å; L578-R601 PolarHBondContact O-N 3.47Å; M597-R601 HydrophobicContact CE-CB 3.85Å; M597-R601 HydrophobicContact CE-CG 4.18Å; M597-R601 HydrophobicContact SD-CB 4.32Å; M597-R601 HydrophobicContact SD-CG 4.21Å; R601-A604 HydrophobicContact CB-CB 3.84Å; R601-G617 WeakPolarHBondContact CD-O 3.35Å; R601-G617 PolarHBondContact NH1-O 3.19Å; R601-L625 HydrophobicContact CG-CD1 3.91Å; R601-T627 PolarHBondContact NH1-O 3.46Å; R601-T627 PolarHBondContact NH1-OG1 2.63Å; R601-T627 PolarHBondContact NH2-OG1 3.31Å; R601-E629 IonicContact CZ-OE1 2.72Å; R601-E629 IonicContact NE-OE1 3.79Å; R601-E629 PolarHBondContact NE-OE1 2.9Å; R601-E629 IonicContact NH2-OE1 3.66Å; R601-E629 PolarHBondContact NH2-OE1 3.46Å
602	S	97.5	Very high	94.9	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.028	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-105.3	143	165.3	67	0	0	0	0	110.7	G571 A604 G618 F619	G571-S602 WeakPolarHBondContact O-CB 3.44Å; S602-A604 PolarHBondContact O-N 2.99Å; S602-A604 VanDerWaalsContact O-N 3.13Å; S602-G618 CarbonylContact O-C 3.56Å; S602-G618 VanDerWaalsContact O-CA 3.25Å; S602-G618 WeakPolarHBondContact O-CA 3.39Å; S602-F619 PolarHBondContact N-O 3.12Å; S602-F619 PolarHBondContact O-N 3.4Å; S602-F619 PolarHBondContact OG-O 3.3Å
603	N	97.4	Very high	94.8	Very high	30 Å²	30	35.5 Å²	35.5	16%	0.16	22%	0.218	C	C	.	.	S	Bend	trans	53.6	33.3	-178.7	-60.4	102.5	0	0	0	113.1	S364 G365 Q509 G556	S364-N603 VanDerWaalsContact OG-CB 3.32Å; S364-N603 WeakPolarHBondContact OG-CB 3.46Å; S364-N603 PolarHBondContact OG-O 2.94Å; G365-N603 PolarHBondContact N-O 2.95Å; Q509-N603 PolarHBondContact NE2-ND2 3.33Å; G556-N603 WeakPolarHBondContact CA-ND2 3.44Å; G556-N603 WeakPolarHBondContact O-CA 3.48Å; G556-N603 PolarHBondContact O-N 2.89Å
604	A	98.1	Very high	94.9	Very high	15 Å²	15	32.5 Å²	32.5	12%	0.124	20%	0.202	C	C	.	.			trans	-78.8	168.4	171.9	0	0	0	0	0	111.5	R601 S602 V615 G617	R601-A604 HydrophobicContact CB-CB 3.84Å; S602-A604 PolarHBondContact O-N 2.99Å; S602-A604 VanDerWaalsContact O-N 3.13Å; A604-V615 HydrophobicContact CB-CG2 4.03Å; A604-G617 WeakPolarHBondContact CB-O 3.47Å
605	G	97.7	Very high	95	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	146.3	169.4	0	0	0	0	0	111.1	T368 V615 V616	T368-G605 WeakPolarHBondContact OG1-CA 3.39Å; G605-V615 CarbonylContact O-C 3.52Å; G605-V615 WeakPolarHBondContact O-CA 3.42Å; G605-V615 WeakPolarHBondContact O-CG2 3.4Å; G605-V616 PolarHBondContact N-O 3.06Å; G605-V616 PolarHBondContact O-N 3.1Å
606	V	97.8	Very high	95.4	Very high	12 Å²	12	31 Å²	31	7%	0.073	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.1	174.2	79.7	0	0	0	0	109	T368 A558 V559 A560 V569 I613 Y614 V615	T368-V606 PolarHBondContact OG1-N 3.34Å; T368-V606 PolarHBondContact OG1-O 2.99Å; A558-V606 HydrophobicContact CB-CB 3.64Å; A558-V606 HydrophobicContact CB-CG1 3.41Å; A558-V606 VanDerWaalsContact CB-CG1 3.41Å; V559-V606 VanDerWaalsContact N-CG1 3.34Å; V559-V606 WeakPolarHBondContact O-CG1 3.37Å; A560-V606 HydrophobicContact CB-CG1 4.1Å; A560-V606 HydrophobicContact CB-CG2 4.04Å; V569-V606 HydrophobicContact CG2-CG2 4.34Å; V606-I613 HydrophobicContact CG2-CG2 3.46Å; V606-I613 VanDerWaalsContact CG2-CG2 3.46Å; V606-Y614 VanDerWaalsContact CA-O 3.24Å; V606-Y614 WeakPolarHBondContact CA-O 3.43Å; V606-Y614 WeakPolarHBondContact CG2-O 3.19Å; V606-V615 HydrophobicContact CG2-CB 4.47Å
607	A	96.6	Very high	95.5	Very high	9 Å²	9	28.5 Å²	28.5	7%	0.074	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	154.3	171.5	0	0	0	0	0	111.3	L375 Y614	L375-A607 HydrophobicContact CD1-CB 3.62Å; A607-Y614 PolarHBondContact N-O 3.29Å; A607-Y614 PolarHBondContact O-N 3.46Å
608	M	95	Very high	95.6	Very high	42 Å²	42	28.4 Å²	28.4	21%	0.207	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.1	168.8	-75.1	-53.7	-55.2	0	0	110.2	A370 A560 V561 H562 I613	A370-M608 WeakPolarHBondContact CB-O 3.37Å; A560-M608 HydrophobicContact CB-CG 4.22Å; A560-M608 HydrophobicContact CB-SD 4.22Å; V561-M608 WeakPolarHBondContact O-CG 3.38Å; H562-M608 HydrophobicContact CB-CE 4.01Å; H562-M608 HydrophobicContact CB-SD 3.79Å; H562-M608 VanDerWaalsContact ND1-CE 3.28Å; H562-M608 WeakPolarHBondContact ND1-CE 3.34Å; M608-I613 HydrophobicContact CE-CG1 4.17Å; M608-I613 HydrophobicContact SD-CB 4.04Å; M608-I613 HydrophobicContact SD-CD1 4.31Å; M608-I613 HydrophobicContact SD-CG1 3.18Å; M608-I613 WeakPolarHBondContact SD-CG1 3.49Å
609	L	92.2	Very high	95.6	Very high	15 Å²	15	27.3 Å²	27.3	8%	0.079	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	111.3	173.1	-172.1	62.9	0	0	0	109.7	A370 G373 L375 P395 E611 T612 Y614	A370-L609 HydrophobicContact CB-CD1 3.99Å; G373-L609 VanDerWaalsContact C-CD1 3.45Å; L375-L609 HydrophobicContact CB-CD2 4.19Å; P395-L609 HydrophobicContact CB-CD2 4.19Å; P395-L609 HydrophobicContact CG-CD2 3.63Å; L609-E611 PolarHBondContact O-N 2.72Å; L609-T612 PolarHBondContact N-O 2.8Å; L609-T612 PolarHBondContact O-N 3.36Å; L609-T612 VanDerWaalsContact O-N 3.12Å; L609-Y614 HydrophobicContact CB-CD2 3.74Å; L609-Y614 HydrophobicContact CB-CE2 3.77Å; L609-Y614 HydrophobicContact CD2-CD2 4.48Å; L609-Y614 HydrophobicContact CD2-CE2 4.11Å; L609-Y614 HydrophobicContact CG-CE2 4.4Å
610	G	88.3	Confident	95.6	Very high	72 Å²	72	27.9 Å²	27.9	74%	0.742	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	-121.5	-167.3	0	0	0	0	0	110
611	E	88.6	Confident	94.8	Very high	160 Å²	160	28 Å²	28	75%	0.748	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.9	6.5	176.4	-60.2	-161.5	145.8	0	0	113.6	H562 L609	H562-E611 PolarHBondContact CE1-O 3.2Å; H562-E611 VanDerWaalsContact CE1-O 3.32Å; L609-E611 PolarHBondContact O-N 2.72Å
612	T	91.9	Very high	93.9	Very high	48 Å²	48	31 Å²	31	29%	0.294	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135	-172.8	-51.5	0	0	0	0	111.6	L609 Y614 V630	L609-T612 PolarHBondContact N-O 2.8Å; L609-T612 PolarHBondContact O-N 3.36Å; L609-T612 VanDerWaalsContact O-N 3.12Å; T612-Y614 HydrophobicContact CG2-CD2 4.16Å; T612-Y614 HydrophobicContact CG2-CE2 3.73Å; T612-V630 HydrophobicContact CG2-CB 3.81Å; T612-V630 HydrophobicContact CG2-CG1 4.08Å
613	I	96.3	Very high	93.4	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	124.7	170.7	-57.4	164.7	0	0	0	108.2	A560 F567 V606 M608 V630 Y631 W638	A560-I613 HydrophobicContact CB-CG1 4.3Å; A560-I613 HydrophobicContact CB-CG2 4Å; F567-I613 HydrophobicContact CB-CD1 3.87Å; F567-I613 HydrophobicContact CD1-CD1 3.52Å; F567-I613 HydrophobicContact CD2-CD1 4.19Å; F567-I613 HydrophobicContact CE1-CD1 4.05Å; F567-I613 HydrophobicContact CG-CD1 3.6Å; V606-I613 HydrophobicContact CG2-CG2 3.46Å; V606-I613 VanDerWaalsContact CG2-CG2 3.46Å; M608-I613 HydrophobicContact CE-CG1 4.17Å; M608-I613 HydrophobicContact SD-CB 4.04Å; M608-I613 HydrophobicContact SD-CD1 4.31Å; M608-I613 HydrophobicContact SD-CG1 3.18Å; M608-I613 WeakPolarHBondContact SD-CG1 3.49Å; I613-V630 WeakPolarHBondContact O-CA 3.4Å; I613-Y631 HydrophobicContact CD1-CD1 3.71Å; I613-Y631 HydrophobicContact CD1-CE1 4.37Å; I613-Y631 HydrophobicContact CD1-CG 4.35Å; I613-Y631 HydrophobicContact CG1-CD1 4.45Å; I613-Y631 PolarHBondContact O-N 3.19Å; I613-W638 HydrophobicContact CG2-CH2 4.08Å
614	Y	97.3	Very high	93.2	Very high	25 Å²	25	35.3 Å²	35.3	10%	0.098	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.2	171.3	-74.5	-104	0	0	0	109.9	L375 Y393 V606 A607 L609 T612 V628 E629 V630	L375-Y614 HydrophobicContact CD2-CD1 4.21Å; L375-Y614 HydrophobicContact CD2-CG 4.19Å; Y393-Y614 HydrophobicContact CD1-CE1 4.31Å; Y393-Y614 HydrophobicContact CE1-CD1 4.42Å; Y393-Y614 AromaticContact CE1-CE1 3.77Å; Y393-Y614 HydrophobicContact CE1-CE1 3.77Å; V606-Y614 VanDerWaalsContact CA-O 3.24Å; V606-Y614 WeakPolarHBondContact CA-O 3.43Å; V606-Y614 WeakPolarHBondContact CG2-O 3.19Å; A607-Y614 PolarHBondContact N-O 3.29Å; A607-Y614 PolarHBondContact O-N 3.46Å; L609-Y614 HydrophobicContact CB-CD2 3.74Å; L609-Y614 HydrophobicContact CB-CE2 3.77Å; L609-Y614 HydrophobicContact CD2-CD2 4.48Å; L609-Y614 HydrophobicContact CD2-CE2 4.11Å; L609-Y614 HydrophobicContact CG-CE2 4.4Å; T612-Y614 HydrophobicContact CG2-CD2 4.16Å; T612-Y614 HydrophobicContact CG2-CE2 3.73Å; Y614-V628 HydrophobicContact CD1-CG2 3.82Å; Y614-E629 WeakPolarHBondContact CA-O 3.3Å; Y614-V630 HydrophobicContact CD1-CG1 3.36Å; Y614-V630 HydrophobicContact CD2-CG1 4.26Å; Y614-V630 HydrophobicContact CE1-CG1 3.13Å; Y614-V630 HydrophobicContact CE2-CG1 4.08Å; Y614-V630 HydrophobicContact CG-CG1 3.92Å
615	V	98.2	Very high	93.1	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.1	167.6	71.2	0	0	0	0	109.7	V569 M597 A604 G605 V606 V628 E629 W638	V569-V615 HydrophobicContact CG1-CG2 4.12Å; M597-V615 HydrophobicContact SD-CB 4.34Å; M597-V615 HydrophobicContact SD-CG1 3.84Å; M597-V615 HydrophobicContact SD-CG2 4Å; A604-V615 HydrophobicContact CB-CG2 4.03Å; G605-V615 CarbonylContact O-C 3.52Å; G605-V615 WeakPolarHBondContact O-CA 3.42Å; G605-V615 WeakPolarHBondContact O-CG2 3.4Å; V606-V615 HydrophobicContact CG2-CB 4.47Å; V615-V628 VanDerWaalsContact O-CA 3.31Å; V615-V628 WeakPolarHBondContact O-CA 3.48Å; V615-E629 HydrophobicContact CG1-CB 3.74Å; V615-E629 HydrophobicContact CG1-CG 3.78Å; V615-E629 PolarHBondContact N-O 2.99Å; V615-E629 PolarHBondContact O-N 2.94Å; V615-W638 HydrophobicContact CB-CH2 4.12Å; V615-W638 HydrophobicContact CB-CZ3 3.84Å; V615-W638 HydrophobicContact CG1-CE3 4.01Å; V615-W638 HydrophobicContact CG1-CH2 4.06Å; V615-W638 HydrophobicContact CG1-CZ3 3.39Å
616	V	98.2	Very high	93	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.2	-175.7	-68.7	0	0	0	0	112.4	M359 L366 T368 L375 W400 G605 V628	M359-V616 HydrophobicContact CE-CB 4.38Å; L366-V616 HydrophobicContact CD1-CG2 4.33Å; T368-V616 HydrophobicContact CG2-CG2 3.54Å; L375-V616 HydrophobicContact CD2-CG1 3.53Å; L375-V616 HydrophobicContact CD2-CG2 4.42Å; W400-V616 HydrophobicContact CH2-CG1 4.05Å; W400-V616 HydrophobicContact CZ2-CG1 4.02Å; G605-V616 PolarHBondContact N-O 3.06Å; G605-V616 PolarHBondContact O-N 3.1Å; V616-V628 HydrophobicContact CG1-CB 3.73Å; V616-V628 HydrophobicContact CG1-CG2 3.48Å; V616-V628 VanDerWaalsContact CG1-CG2 3.48Å
617	G	98.2	Very high	93	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.229	C	C	.	.			trans	59.6	-145.1	177.3	0	0	0	0	0	113.9	R363 R601 A604 L625 T627	R363-G617 WeakPolarHBondContact O-CA 3.47Å; R601-G617 WeakPolarHBondContact CD-O 3.35Å; R601-G617 PolarHBondContact NH1-O 3.19Å; A604-G617 WeakPolarHBondContact CB-O 3.47Å; G617-L625 WeakPolarHBondContact CA-O 3.42Å; G617-T627 PolarHBondContact N-O 3.46Å
618	G	97.9	Very high	93	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.226	C	C	.	.			trans	99.5	-168.7	-173.4	0	0	0	0	0	113.2	R363 S602 F624 L625	R363-G618 PolarHBondContact O-N 3.43Å; S602-G618 CarbonylContact O-C 3.56Å; S602-G618 VanDerWaalsContact O-CA 3.25Å; S602-G618 WeakPolarHBondContact O-CA 3.39Å; G618-F624 WeakPolarHBondContact O-CA 3.26Å; G618-L625 PolarHBondContact O-N 3.19Å
619	F	94.9	Very high	93.1	Very high	58 Å²	58	36.9 Å²	36.9	25%	0.254	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-130	125.5	178.1	179.4	-107.8	0	0	0	109.4	A577 S602 G621 N622 E623 F624	A577-F619 WeakPolarHBondContact CB-O 3.33Å; S602-F619 PolarHBondContact N-O 3.12Å; S602-F619 PolarHBondContact O-N 3.4Å; S602-F619 PolarHBondContact OG-O 3.3Å; F619-G621 VanDerWaalsContact C-N 3.33Å; F619-G621 WeakPolarHBondContact CE1-O 3.4Å; F619-G621 VanDerWaalsContact CZ-O 3.22Å; F619-G621 WeakPolarHBondContact CZ-O 3.31Å; F619-N622 VanDerWaalsContact CE2-O 3.29Å; F619-N622 WeakPolarHBondContact CE2-O 3.08Å; F619-E623 WeakPolarHBondContact CA-O 3.49Å; F619-E623 WeakPolarHBondContact CD2-O 3.45Å; F619-F624 HydrophobicContact CD2-CD1 4.36Å; F619-F624 HydrophobicContact CD2-CD2 4.09Å; F619-F624 HydrophobicContact CD2-CE1 4.35Å; F619-F624 HydrophobicContact CD2-CE2 4.11Å; F619-F624 HydrophobicContact CD2-CG 4.23Å; F619-F624 HydrophobicContact CD2-CZ 4.24Å; F619-F624 HydrophobicContact CE2-CD2 4.38Å; F619-F624 HydrophobicContact CE2-CE2 4.2Å
620	D	92.3	Very high	93.2	Very high	51 Å²	51	37.2 Å²	37.2	27%	0.273	22%	0.219	S	C	.	.			trans	-88.8	2.5	-174.1	74.4	-13.3	0	0	0	114	A577 S600 N622 E623 L625	A577-D620 VanDerWaalsContact CB-C 3.45Å; A577-D620 WeakPolarHBondContact CB-O 3.24Å; S600-D620 WeakPolarHBondContact O-CA 3.35Å; S600-D620 WeakPolarHBondContact O-CB 3.26Å; D620-N622 WeakPolarHBondContact OD1-CA 3.35Å; D620-N622 WeakPolarHBondContact OD1-CB 3.34Å; D620-N622 PolarHBondContact OD1-N 3.16Å; D620-E623 PolarHBondContact N-O 3.43Å; D620-E623 PolarHBondContact OD1-N 2.74Å; D620-L625 HydrophobicContact CB-CD1 4.27Å; D620-L625 HydrophobicContact CB-CD2 4.39Å
621	G	79.3	Confident	93.6	Very high	40 Å²	40	34.1 Å²	34.1	41%	0.412	19%	0.185	S	C	.	.	S	Bend	trans	105	-20.9	-171	0	0	0	0	0	112.8	F619	F619-G621 VanDerWaalsContact C-N 3.33Å; F619-G621 WeakPolarHBondContact CE1-O 3.4Å; F619-G621 VanDerWaalsContact CZ-O 3.22Å; F619-G621 WeakPolarHBondContact CZ-O 3.31Å
622	N	79.1	Confident	93.5	Very high	66 Å²	66	29 Å²	29	35%	0.353	16%	0.162	S	C	.	.	S	Bend	trans	-122.1	-56.1	-179.3	-63.7	-48.3	0	0	0	111.8	R383 F619 D620	R383-N622 PolarHBondContact NH2-O 2.92Å; F619-N622 VanDerWaalsContact CE2-O 3.29Å; F619-N622 WeakPolarHBondContact CE2-O 3.08Å; D620-N622 WeakPolarHBondContact OD1-CA 3.35Å; D620-N622 WeakPolarHBondContact OD1-CB 3.34Å; D620-N622 PolarHBondContact OD1-N 3.16Å
623	E	86.9	Confident	93.2	Very high	85 Å²	85	29.4 Å²	29.4	40%	0.397	17%	0.166	S	C	.	.	S	Bend	trans	-122.7	154.1	-171	-61.6	-167	159.2	0	0	112.2	F619 D620	F619-E623 WeakPolarHBondContact CA-O 3.49Å; F619-E623 WeakPolarHBondContact CD2-O 3.45Å; D620-E623 PolarHBondContact N-O 3.43Å; D620-E623 PolarHBondContact OD1-N 2.74Å
624	F	92.3	Very high	92.6	Very high	39 Å²	39	38 Å²	38	17%	0.171	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-83.3	129.6	170.2	-66.8	-97.5	0	0	0	107.2	A362 S364 Y381 N382 R383 G618 F619	A362-F624 HydrophobicContact CB-CB 3.78Å; A362-F624 VanDerWaalsContact CB-O 3.27Å; A362-F624 WeakPolarHBondContact CB-O 3.38Å; S364-F624 VanDerWaalsContact CB-CD1 3.41Å; Y381-F624 AromaticContact CD2-CE1 3.68Å; Y381-F624 HydrophobicContact CD2-CE1 3.68Å; Y381-F624 AromaticContact CD2-CZ 3.98Å; Y381-F624 HydrophobicContact CD2-CZ 3.98Å; Y381-F624 AromaticContact CE2-CE1 3.36Å; Y381-F624 HydrophobicContact CE2-CE1 3.36Å; Y381-F624 AromaticContact CE2-CZ 3.59Å; Y381-F624 HydrophobicContact CE2-CZ 3.59Å; Y381-F624 HydrophobicContact CG-CE1 4.48Å; Y381-F624 AromaticContact CZ-CE1 3.92Å; Y381-F624 WeakPolarHBondContact O-CD1 3.41Å; N382-F624 HydrophobicContact CB-CB 4.33Å; N382-F624 HydrophobicContact CB-CG 4.27Å; R383-F624 HydrophobicContact CB-CE2 4.46Å; R383-F624 HydrophobicContact CG-CD2 3.59Å; R383-F624 HydrophobicContact CG-CE2 3.49Å; R383-F624 VanDerWaalsContact CG-CE2 3.49Å; G618-F624 WeakPolarHBondContact O-CA 3.26Å; F619-F624 HydrophobicContact CD2-CD1 4.36Å; F619-F624 HydrophobicContact CD2-CD2 4.09Å; F619-F624 HydrophobicContact CD2-CE1 4.35Å; F619-F624 HydrophobicContact CD2-CE2 4.11Å; F619-F624 HydrophobicContact CD2-CG 4.23Å; F619-F624 HydrophobicContact CD2-CZ 4.24Å; F619-F624 HydrophobicContact CE2-CD2 4.38Å; F619-F624 HydrophobicContact CE2-CE2 4.2Å
625	L	95.7	Very high	92.2	Very high	20 Å²	20	40.1 Å²	40.1	11%	0.105	22%	0.222	C	C	.	.			trans	-92.6	145.1	-174.7	-55.2	177.1	0	0	0	110.6	A362 R363 R601 G617 G618 D620	A362-L625 WeakPolarHBondContact CA-O 3.48Å; R363-L625 PolarHBondContact N-O 3.22Å; R601-L625 HydrophobicContact CG-CD1 3.91Å; G617-L625 WeakPolarHBondContact CA-O 3.42Å; G618-L625 PolarHBondContact O-N 3.19Å; D620-L625 HydrophobicContact CB-CD1 4.27Å; D620-L625 HydrophobicContact CB-CD2 4.39Å
626	S	97.1	Very high	91.9	Very high	34 Å²	34	42.4 Å²	42.4	24%	0.238	23%	0.234	C	C	.	.			trans	-109.2	-7	163.7	53.9	0	0	0	0	112.5	M359	M359-S626 PolarHBondContact N-O 2.91Å; M359-S626 VanDerWaalsContact O-CB 3.3Å; M359-S626 WeakPolarHBondContact O-CB 3.34Å
627	T	97.5	Very high	91.6	Very high	55 Å²	55	47.7 Å²	47.7	34%	0.337	26%	0.259	S	S	.	.			trans	-71.1	157.1	-176	57.8	0	0	0	0	112.3	R601 G617	R601-T627 PolarHBondContact NH1-O 3.46Å; R601-T627 PolarHBondContact NH1-OG1 2.63Å; R601-T627 PolarHBondContact NH2-OG1 3.31Å; G617-T627 PolarHBondContact N-O 3.46Å
628	V	96.5	Very high	91.4	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.1	177.6	57.1	0	0	0	0	109.6	L356 Y614 V615 V616	L356-V628 HydrophobicContact CB-CG1 3.37Å; L356-V628 HydrophobicContact CD1-CG1 3.96Å; L356-V628 HydrophobicContact CD1-CG2 4.47Å; L356-V628 HydrophobicContact CG-CG1 4.25Å; Y614-V628 HydrophobicContact CD1-CG2 3.82Å; V615-V628 VanDerWaalsContact O-CA 3.31Å; V615-V628 WeakPolarHBondContact O-CA 3.48Å; V616-V628 HydrophobicContact CG1-CB 3.73Å; V616-V628 HydrophobicContact CG1-CG2 3.48Å; V616-V628 VanDerWaalsContact CG1-CG2 3.48Å
629	E	96	Very high	91.2	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	152.2	171.8	-26.5	179.4	-160	0	0	109.2	I598 S599 R601 Y614 V615 W638 N639	I598-E629 WeakPolarHBondContact CB-OE2 3.24Å; I598-E629 PolarHBondContact N-OE2 3.21Å; S599-E629 VanDerWaalsContact CB-OE1 3.26Å; S599-E629 WeakPolarHBondContact CB-OE1 3.49Å; S599-E629 PolarHBondContact N-OE1 3.28Å; S599-E629 VanDerWaalsContact N-OE1 3.11Å; R601-E629 IonicContact CZ-OE1 2.72Å; R601-E629 IonicContact NE-OE1 3.79Å; R601-E629 PolarHBondContact NE-OE1 2.9Å; R601-E629 IonicContact NH2-OE1 3.66Å; R601-E629 PolarHBondContact NH2-OE1 3.46Å; Y614-E629 WeakPolarHBondContact CA-O 3.3Å; V615-E629 HydrophobicContact CG1-CB 3.74Å; V615-E629 HydrophobicContact CG1-CG 3.78Å; V615-E629 PolarHBondContact N-O 2.99Å; V615-E629 PolarHBondContact O-N 2.94Å; E629-W638 HydrophobicContact CB-CE3 3.87Å; E629-W638 HydrophobicContact CB-CZ3 4.42Å; E629-N639 CarbonylContact C-O 3.57Å; E629-N639 WeakPolarHBondContact CA-O 3.35Å
630	V	95.7	Very high	90.9	Very high	22 Å²	22	52 Å²	52	13%	0.133	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.6	178	-65.5	0	0	0	0	111.3	L356 T612 I613 Y614 W638 N639	L356-V630 HydrophobicContact CD1-CG1 4.05Å; L356-V630 HydrophobicContact CD1-CG2 4.33Å; T612-V630 HydrophobicContact CG2-CB 3.81Å; T612-V630 HydrophobicContact CG2-CG1 4.08Å; I613-V630 WeakPolarHBondContact O-CA 3.4Å; Y614-V630 HydrophobicContact CD1-CG1 3.36Å; Y614-V630 HydrophobicContact CD2-CG1 4.26Å; Y614-V630 HydrophobicContact CE1-CG1 3.13Å; Y614-V630 HydrophobicContact CE2-CG1 4.08Å; Y614-V630 HydrophobicContact CG-CG1 3.92Å; V630-W638 CarbonylContact O-C 3.56Å; V630-W638 WeakPolarHBondContact O-CA 3.48Å; V630-N639 HydrophobicContact CG2-CB 4.11Å; V630-N639 WeakPolarHBondContact CG2-O 3.29Å; V630-N639 PolarHBondContact N-O 3.22Å; V630-N639 PolarHBondContact O-N 3.04Å
631	Y	95.1	Very high	90.5	Very high	6 Å²	6	51.7 Å²	51.7	2%	0.024	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.7	174	179.8	-112.7	0	0	0	110.7	F567 I613 P633 D636 W638	F567-Y631 HydrophobicContact CD1-CE1 4.28Å; F567-Y631 HydrophobicContact CE1-CD1 4.42Å; F567-Y631 AromaticContact CE1-CE1 3.69Å; F567-Y631 HydrophobicContact CE1-CE1 3.69Å; I613-Y631 HydrophobicContact CD1-CD1 3.71Å; I613-Y631 HydrophobicContact CD1-CE1 4.37Å; I613-Y631 HydrophobicContact CD1-CG 4.35Å; I613-Y631 HydrophobicContact CG1-CD1 4.45Å; I613-Y631 PolarHBondContact O-N 3.19Å; Y631-P633 HydrophobicContact CD1-CB 4.35Å; Y631-P633 HydrophobicContact CE1-CB 3.91Å; Y631-P633 WeakPolarHBondContact O-CD 3.45Å; Y631-D636 VanDerWaalsContact CE2-OD1 3.3Å; Y631-D636 WeakPolarHBondContact CE2-OD1 3.49Å; Y631-D636 PolarHBondContact OH-OD1 3.06Å; Y631-W638 AromaticContact CD2-CD1 3.89Å; Y631-W638 HydrophobicContact CD2-CD2 4.2Å; Y631-W638 AromaticContact CD2-CE2 3.76Å; Y631-W638 HydrophobicContact CD2-CG 4.31Å; Y631-W638 HydrophobicContact CD2-CZ2 4.24Å; Y631-W638 AromaticContact CD2-NE1 3.53Å; Y631-W638 HydrophobicContact CG-CZ2 4.31Å
632	N	88.1	Confident	90.5	Very high	52 Å²	52	51.9 Å²	51.9	28%	0.278	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	109.2	169.3	-174.7	-16.3	0	0	0	109.9	E634 T635 D636 E637	N632-E634 PolarHBondContact O-N 2.94Å; N632-E634 WeakPolarHBondContact OD1-CB 3.4Å; N632-E634 PolarHBondContact OD1-N 2.96Å; N632-T635 WeakPolarHBondContact CB-OG1 3.26Å; N632-D636 WeakPolarHBondContact O-CA 3.41Å; N632-D636 PolarHBondContact O-N 3.33Å; N632-E637 PolarHBondContact N-O 2.99Å; N632-E637 PolarHBondContact O-N 3.46Å
633	P	84.6	Confident	90.2	Very high	58 Å²	58	54.8 Å²	54.8	38%	0.377	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-18	-179.3	28.8	-34.9	0	0	0	114	Y631	Y631-P633 HydrophobicContact CD1-CB 4.35Å; Y631-P633 HydrophobicContact CE1-CB 3.91Å; Y631-P633 WeakPolarHBondContact O-CD 3.45Å
634	E	84.9	Confident	88.6	Confident	181 Å²	181	53.1 Å²	53.1	85%	0.846	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-40.5	178.7	-59.9	-172.4	162.1	0	0	112	N632	N632-E634 PolarHBondContact O-N 2.94Å; N632-E634 WeakPolarHBondContact OD1-CB 3.4Å; N632-E634 PolarHBondContact OD1-N 2.96Å
635	T	87.4	Confident	86.5	Confident	71 Å²	71	56.1 Å²	56.1	44%	0.436	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-13.1	-179.5	62.7	0	0	0	0	113.4	N632 E637	N632-T635 WeakPolarHBondContact CB-OG1 3.26Å; T635-E637 VanDerWaalsContact C-N 3.28Å; T635-E637 PolarHBondContact OG1-OE2 2.92Å
636	D	91.4	Very high	83.9	Confident	48 Å²	48	59.7 Å²	59.7	26%	0.257	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	39	-171	-164.8	20.4	0	0	0	112.5	L594 G595 Y631 N632	L594-D636 WeakPolarHBondContact CB-OD1 3.46Å; G595-D636 VanDerWaalsContact CA-O 3.3Å; G595-D636 WeakPolarHBondContact CA-O 3.48Å; G595-D636 PolarHBondContact N-OD1 3.14Å; G595-D636 PolarHBondContact N-OD2 3.39Å; Y631-D636 VanDerWaalsContact CE2-OD1 3.3Å; Y631-D636 WeakPolarHBondContact CE2-OD1 3.49Å; Y631-D636 PolarHBondContact OH-OD1 3.06Å; N632-D636 WeakPolarHBondContact O-CA 3.41Å; N632-D636 PolarHBondContact O-N 3.33Å
637	E	92.3	Very high	81.1	Confident	112 Å²	112	64 Å²	64	52%	0.523	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	154.1	-177.4	-66.7	174.7	156.1	0	0	112.1	N632 T635	N632-E637 PolarHBondContact N-O 2.99Å; N632-E637 PolarHBondContact O-N 3.46Å; T635-E637 VanDerWaalsContact C-N 3.28Å; T635-E637 PolarHBondContact OG1-OE2 2.92Å
638	W	94.8	Very high	78.3	Confident	15 Å²	15	69.5 Å²	69.5	6%	0.057	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	138.2	172.9	-70.7	81.7	0	0	0	110	V569 V581 G595 M597 I598 I613 V615 E629 V630 Y631	V569-W638 HydrophobicContact CG1-CH2 3.99Å; V569-W638 HydrophobicContact CG1-CZ2 4.05Å; V569-W638 HydrophobicContact CG2-CH2 4.18Å; V569-W638 HydrophobicContact CG2-CZ2 4.09Å; V581-W638 HydrophobicContact CG2-CZ2 3.8Å; G595-W638 PolarHBondContact O-NE1 3.35Å; M597-W638 HydrophobicContact CB-CD2 4.43Å; M597-W638 HydrophobicContact CB-CG 4.45Å; M597-W638 HydrophobicContact CG-CD2 3.72Å; M597-W638 HydrophobicContact CG-CE3 4.08Å; M597-W638 HydrophobicContact CG-CG 4.19Å; M597-W638 HydrophobicContact CG-CH2 4.22Å; M597-W638 HydrophobicContact CG-CZ2 3.89Å; M597-W638 HydrophobicContact CG-CZ3 4.33Å; I598-W638 HydrophobicContact CG1-CB 4.35Å; I613-W638 HydrophobicContact CG2-CH2 4.08Å; V615-W638 HydrophobicContact CB-CH2 4.12Å; V615-W638 HydrophobicContact CB-CZ3 3.84Å; V615-W638 HydrophobicContact CG1-CE3 4.01Å; V615-W638 HydrophobicContact CG1-CH2 4.06Å; V615-W638 HydrophobicContact CG1-CZ3 3.39Å; E629-W638 HydrophobicContact CB-CE3 3.87Å; E629-W638 HydrophobicContact CB-CZ3 4.42Å; V630-W638 CarbonylContact O-C 3.56Å; V630-W638 WeakPolarHBondContact O-CA 3.48Å; Y631-W638 AromaticContact CD2-CD1 3.89Å; Y631-W638 HydrophobicContact CD2-CD2 4.2Å; Y631-W638 AromaticContact CD2-CE2 3.76Å; Y631-W638 HydrophobicContact CD2-CG 4.31Å; Y631-W638 HydrophobicContact CD2-CZ2 4.24Å; Y631-W638 AromaticContact CD2-NE1 3.53Å; Y631-W638 HydrophobicContact CG-CZ2 4.31Å
639	N	92.6	Very high	75.4	Confident	66 Å²	66	75 Å²	75	35%	0.353	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.6	178.5	-63	-74	0	0	0	109.8	E629 V630	E629-N639 CarbonylContact C-O 3.57Å; E629-N639 WeakPolarHBondContact CA-O 3.35Å; V630-N639 HydrophobicContact CG2-CB 4.11Å; V630-N639 WeakPolarHBondContact CG2-O 3.29Å; V630-N639 PolarHBondContact N-O 3.22Å; V630-N639 PolarHBondContact O-N 3.04Å
640	D	89.1	Confident	72.5	Confident	68 Å²	68	87.7 Å²	87.7	36%	0.364	49%	0.489	S	S	.	.			trans	-112.7	7.6	173.3	62.6	-14.2	0	0	0	112.6	P355 L356 I598	P355-D640 CarbonylContact C-O 3.55Å; P355-D640 WeakPolarHBondContact CA-O 3.38Å; L356-D640 PolarHBondContact N-O 3.04Å; I598-D640 HydrophobicContact CD1-CB 3.78Å
641	C	84.8	Confident	71.3	Confident	43 Å²	43	91 Å²	91	29%	0.291	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	154.2	177.1	-64.4	0	0	0	0	112.3	E353 H354	E353-C641 HydrophobicContact CB-CB 4.25Å; H354-C641 CarbonylContact O-C 3.57Å; H354-C641 WeakPolarHBondContact O-CA 3.4Å; H354-C641 WeakPolarHBondContact O-CB 3.44Å
642	T	78.8	Confident	70.1	Confident	44 Å²	44	95.4 Å²	95.4	27%	0.27	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	156.2	170.6	-170	0	0	0	0	111	H354 L356 D398	H354-T642 PolarHBondContact N-O 2.68Å; H354-T642 PolarHBondContact O-N 3.3Å; L356-T642 HydrophobicContact CD2-CG2 3.99Å; D398-T642 HydrophobicContact CB-CG2 4.15Å
643	K	72.4	Confident	69.1	Low	128 Å²	128	97.8 Å²	97.8	56%	0.557	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.7	173.4	-65.8	-179	-179.6	-177.7	0	108.4	E353	E353-K643 HydrophobicContact CG-CG 4.24Å; E353-K643 WeakPolarHBondContact OE1-CE 3.37Å; E353-K643 IonicContact OE1-NZ 2.82Å
644	A	53.9	Low	68.2	Low	49 Å²	49	100.2 Å²	100.2	41%	0.405	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-54.5	135.8	178.2	0	0	0	0	0	110.7	S646	A644-S646 PolarHBondContact O-N 2.99Å
645	P	48.1	Very low	67.1	Low	102 Å²	102	95.1 Å²	95.1	66%	0.662	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-61.5	124.2	174.8	22.6	-29.4	0	0	0	108.9
646	S	41	Very low	65.8	Low	96 Å²	96	96.7 Å²	96.7	67%	0.671	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-55	129.8	171.8	51.1	0	0	0	0	109	A644 L648	A644-S646 PolarHBondContact O-N 2.99Å; S646-L648 PolarHBondContact O-N 3.46Å; S646-L648 VanDerWaalsContact O-N 3.09Å
647	P	37.9	Very low	63.9	Low	124 Å²	124	100.2 Å²	100.2	81%	0.805	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-57.7	122.7	176.6	22	-30.2	0	0	0	108.5	S649	P647-S649 PolarHBondContact O-N 2.97Å
648	L	38.7	Very low	61.8	Low	171 Å²	171	99.3 Å²	99.3	90%	0.895	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-52.8	116.2	173	-76.9	156.5	0	0	0	107.7	S646 E650	S646-L648 PolarHBondContact O-N 3.46Å; S646-L648 VanDerWaalsContact O-N 3.09Å; L648-E650 PolarHBondContact O-N 3.4Å
649	S	34.8	Very low	59	Low	117 Å²	117	106.3 Å²	106.3	82%	0.818	61%	0.612	S	S	*	*			trans	-62	114.8	168.9	51.9	0	0	0	0	108.4	P647	P647-S649 PolarHBondContact O-N 2.97Å
650	E	36.1	Very low	56	Low	268 Å²	268	110 Å²	110	100%	1.252	64%	0.635	S	S	*	*			trans	-58.3	0	168.8	-74.2	-171.6	151.3	0	0	112.9	L648	L648-E650 PolarHBondContact O-N 3.4Å

Retrieved 650 of 650 residues in 4289.3 ms (Link to these results)

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