A0A087YC17_POEFO Loading...

Zinc finger and BTB domain containing 8B

AlphaFold DB , UniProt , Accession A0A087YC17, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 532 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	R	50.1	Low	64.3	Low	301 Å²	301	174.2 Å²	174.2	100%	1.136	79%	0.791	S	S	*	*				0	126.1	0	-70.7	174.4	173.8	158.7	-2.9	107.8	R3	R1-R3 PolarHBondContact O-N 2.87Å
2	R	45.3	Very low	65.7	Low	254 Å²	254	168.8 Å²	168.8	96%	0.958	77%	0.772	S	S	*	*			trans	-76	112.2	169.9	-71.6	-176.3	178.8	176.2	-0.2	108	K4	R2-K4 PolarHBondContact O-N 3.18Å
3	R	47.8	Very low	66.9	Low	228 Å²	228	162.2 Å²	162.2	86%	0.86	75%	0.754	S	S	*	*			trans	-69.2	119.6	166	-75.7	-177.1	174.7	171	-2.7	107.1	R1	R1-R3 PolarHBondContact O-N 2.87Å
4	K	52.9	Low	68.1	Low	209 Å²	209	161.4 Å²	161.4	91%	0.909	75%	0.747	S	S	*	*			trans	-87.7	108	160.8	-77.7	-174.3	174.9	-174	0	105.9	R2	R2-K4 PolarHBondContact O-N 3.18Å
5	N	67.2	Low	69.4	Low	142 Å²	142	155.3 Å²	155.3	76%	0.759	72%	0.722	S	S	*	*			trans	-76	141.6	169.9	-62	-3.4	0	0	0	107.8
6	M	70.5	Confident	70.4	Confident	179 Å²	179	148 Å²	148	88%	0.882	69%	0.69	S	S	*	*			trans	-106.8	114.8	172.8	-177.3	170.3	69	0	0	108.2
7	E	70.1	Confident	71.3	Confident	171 Å²	171	146.9 Å²	146.9	80%	0.799	68%	0.682	S	S	*	*			trans	-112	141.5	179	-172.8	169.3	-170	0	0	108.9
8	V	76.6	Confident	72.2	Confident	88 Å²	88	144 Å²	144	53%	0.533	67%	0.669	S	S	.	*			trans	-120.5	91.7	-178.6	-178.9	0	0	0	0	107.8	C10 Y11	V8-C10 PolarHBondContact O-N 3.18Å; V8-Y11 WeakPolarHBondContact O-CB 3.5Å; V8-Y11 PolarHBondContact O-N 3.35Å
9	P	68.9	Low	73.1	Confident	117 Å²	117	138.5 Å²	138.5	76%	0.76	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-23.1	-167.5	-29.2	36.4	0	0	0	115.3
10	C	76.4	Confident	73.9	Confident	74 Å²	74	132.5 Å²	132.5	50%	0.5	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.5	12.3	-179.3	-50.8	0	0	0	0	114.1	V8 K14	V8-C10 PolarHBondContact O-N 3.18Å; C10-K14 WeakPolarHBondContact O-CD 3.44Å; C10-K14 VanDerWaalsContact O-CG 3.26Å; C10-K14 WeakPolarHBondContact O-CG 3.32Å; C10-K14 PolarHBondContact O-N 3.07Å
11	Y	81.8	Confident	74.6	Confident	153 Å²	153	128 Å²	128	60%	0.6	60%	0.597	S	S	*	*	H	α-helix	trans	-66.8	-52.6	-178.1	-177	-102.6	0	0	0	112.4	V8 K14 L15	V8-Y11 WeakPolarHBondContact O-CB 3.5Å; V8-Y11 PolarHBondContact O-N 3.35Å; Y11-K14 PolarHBondContact O-N 3.04Å; Y11-L15 HydrophobicContact CE1-CD2 4.17Å; Y11-L15 PolarHBondContact O-N 3.08Å
12	L	80.6	Confident	76.4	Confident	109 Å²	109	115.9 Å²	115.9	57%	0.571	55%	0.553	S	S	*	*	H	α-helix	trans	-62	-45.2	-176.8	178.9	63.7	0	0	0	113.4	K14 L15 L16	L12-K14 VanDerWaalsContact C-N 3.3Å; L12-K14 PolarHBondContact O-N 3.32Å; L12-L15 PolarHBondContact O-N 3.49Å; L12-L16 HydrophobicContact CD1-CD1 4.25Å; L12-L16 HydrophobicContact CD1-CG 4.16Å; L12-L16 HydrophobicContact CG-CD1 4.19Å; L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 3.22Å
13	P	81.4	Confident	78.6	Confident	83 Å²	83	105.2 Å²	105.2	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-61.8	-33.9	175.1	-25.7	35.8	0	0	0	114	F17	P13-F17 WeakPolarHBondContact O-CB 3.38Å; P13-F17 PolarHBondContact O-N 3.45Å; P13-F17 VanDerWaalsContact O-N 3.08Å
14	K	83.6	Confident	80.4	Confident	151 Å²	151	100.3 Å²	100.3	66%	0.657	50%	0.498	S	S	*	.	H	α-helix	trans	-70	-41.5	175.4	-73.3	177.3	178	-173.6	0	111.7	C10 Y11 L12 F17 E18	C10-K14 WeakPolarHBondContact O-CD 3.44Å; C10-K14 VanDerWaalsContact O-CG 3.26Å; C10-K14 WeakPolarHBondContact O-CG 3.32Å; C10-K14 PolarHBondContact O-N 3.07Å; Y11-K14 PolarHBondContact O-N 3.04Å; L12-K14 VanDerWaalsContact C-N 3.3Å; L12-K14 PolarHBondContact O-N 3.32Å; K14-F17 PolarHBondContact O-N 2.95Å; K14-E18 PolarHBondContact O-N 3.2Å
15	L	87.3	Confident	82.1	Confident	70 Å²	70	98 Å²	98	37%	0.366	48%	0.483	S	S	.	.	H	α-helix	trans	-62.7	-44.6	175.7	179.8	62.3	0	0	0	111.7	Y11 L12 E18 L19	Y11-L15 HydrophobicContact CE1-CD2 4.17Å; Y11-L15 PolarHBondContact O-N 3.08Å; L12-L15 PolarHBondContact O-N 3.49Å; L15-E18 PolarHBondContact O-N 2.92Å; L15-L19 HydrophobicContact CD1-CD1 4.23Å; L15-L19 HydrophobicContact CD1-CG 4.4Å; L15-L19 HydrophobicContact CG-CD1 4.05Å; L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.38Å; L15-L19 PolarHBondContact O-N 3.44Å
16	L	86.4	Confident	82.8	Confident	39 Å²	39	95.4 Å²	95.4	20%	0.204	47%	0.469	C	S	.	.	H	α-helix	trans	-63.8	-41.2	176.6	-70.1	173.2	0	0	0	112.1	L12 L19 N20	L12-L16 HydrophobicContact CD1-CD1 4.25Å; L12-L16 HydrophobicContact CD1-CG 4.16Å; L12-L16 HydrophobicContact CG-CD1 4.19Å; L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 3.22Å; L16-L19 PolarHBondContact O-N 2.9Å; L16-N20 WeakPolarHBondContact O-CB 3.39Å; L16-N20 PolarHBondContact O-N 3Å
17	F	85	Confident	83.4	Confident	129 Å²	129	92.3 Å²	92.3	57%	0.566	45%	0.451	S	S	*	.	H	α-helix	trans	-59.5	-46.8	174.7	-179.8	-90.8	0	0	0	112.1	P13 K14 N20 E21	P13-F17 WeakPolarHBondContact O-CB 3.38Å; P13-F17 PolarHBondContact O-N 3.45Å; P13-F17 VanDerWaalsContact O-N 3.08Å; K14-F17 PolarHBondContact O-N 2.95Å; F17-N20 WeakPolarHBondContact O-CB 3.46Å; F17-N20 PolarHBondContact O-N 3.25Å; F17-E21 HydrophobicContact CD1-CG 4.33Å; F17-E21 HydrophobicContact CE1-CG 3.87Å; F17-E21 HydrophobicContact CZ-CG 4.06Å; F17-E21 PolarHBondContact O-N 3Å
18	E	87.5	Confident	84	Confident	95 Å²	95	90.2 Å²	90.2	44%	0.444	44%	0.439	S	S	.	.	H	α-helix	trans	-62.3	-45	177.5	-178.3	57.4	-143.1	0	0	111.8	K14 L15 N20 E21 Q22	K14-E18 PolarHBondContact O-N 3.2Å; L15-E18 PolarHBondContact O-N 2.92Å; E18-N20 VanDerWaalsContact C-N 3.27Å; E18-N20 PolarHBondContact O-N 3.38Å; E18-E21 PolarHBondContact O-N 3.34Å; E18-Q22 WeakPolarHBondContact O-CG 3.32Å; E18-Q22 PolarHBondContact O-N 2.9Å; E18-Q22 PolarHBondContact OE1-NE2 3.42Å
19	L	89.3	Confident	84.4	Confident	39 Å²	39	86.5 Å²	86.5	20%	0.204	42%	0.417	C	S	.	.	H	α-helix	trans	-63	-31.5	175	-71	169.3	0	0	0	112.8	L15 L16 R23 H43 V46 Y90	L15-L19 HydrophobicContact CD1-CD1 4.23Å; L15-L19 HydrophobicContact CD1-CG 4.4Å; L15-L19 HydrophobicContact CG-CD1 4.05Å; L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.38Å; L15-L19 PolarHBondContact O-N 3.44Å; L16-L19 PolarHBondContact O-N 2.9Å; L19-R23 WeakPolarHBondContact O-CB 3.18Å; L19-R23 PolarHBondContact O-N 3.36Å; L19-H43 PolarHBondContact O-CE1 2.96Å; L19-V46 HydrophobicContact CD1-CG2 4.12Å; L19-Y90 HydrophobicContact CB-CD1 4.22Å; L19-Y90 HydrophobicContact CB-CE1 4.13Å; L19-Y90 WeakPolarHBondContact O-CE1 3.47Å
20	N	88.7	Confident	85	Confident	19 Å²	19	84.5 Å²	84.5	10%	0.102	40%	0.4	C	S	.	.	H	α-helix	trans	-70.9	-42.5	174.9	-162.6	-4.8	0	0	0	111.3	L16 F17 E18 Q22 R23 K24 Y90	L16-N20 WeakPolarHBondContact O-CB 3.39Å; L16-N20 PolarHBondContact O-N 3Å; F17-N20 WeakPolarHBondContact O-CB 3.46Å; F17-N20 PolarHBondContact O-N 3.25Å; E18-N20 VanDerWaalsContact C-N 3.27Å; E18-N20 PolarHBondContact O-N 3.38Å; N20-Q22 VanDerWaalsContact C-N 3.31Å; N20-Q22 PolarHBondContact O-N 2.95Å; N20-R23 PolarHBondContact O-N 2.9Å; N20-K24 WeakPolarHBondContact O-CG 3.3Å; N20-K24 PolarHBondContact O-N 3.3Å; N20-K24 WeakPolarHBondContact OD1-CE 3.33Å; N20-Y90 HydrophobicContact CB-CD1 4.11Å; N20-Y90 HydrophobicContact CB-CG 4.44Å; N20-Y90 WeakPolarHBondContact CB-O 3.25Å; N20-Y90 PolarHBondContact ND2-O 3.08Å
21	E	88.3	Confident	85.5	Confident	39 Å²	39	81.1 Å²	81.1	18%	0.182	38%	0.377	C	S	.	.	H	α-helix	trans	-64.3	-34.9	173.8	-75.2	-60.2	112.3	0	0	112.1	F17 E18 K24 R25	F17-E21 HydrophobicContact CD1-CG 4.33Å; F17-E21 HydrophobicContact CE1-CG 3.87Å; F17-E21 HydrophobicContact CZ-CG 4.06Å; F17-E21 PolarHBondContact O-N 3Å; E18-E21 PolarHBondContact O-N 3.34Å; E21-K24 WeakPolarHBondContact OE1-CD 3.49Å; E21-K24 IonicContact OE1-NZ 3.3Å; E21-K24 PolarHBondContact OE1-NZ 3.18Å; E21-R25 VanDerWaalsContact C-NH1 3.35Å; E21-R25 WeakPolarHBondContact O-CG 3.48Å; E21-R25 PolarHBondContact O-N 2.63Å; E21-R25 PolarHBondContact O-NH1 3.45Å; E21-R25 IonicContact OE2-CZ 3.02Å; E21-R25 VanDerWaalsContact OE2-CZ 3.3Å; E21-R25 IonicContact OE2-NH1 3.38Å; E21-R25 PolarHBondContact OE2-NH1 3.15Å; E21-R25 IonicContact OE2-NH2 3.17Å; E21-R25 PolarHBondContact OE2-NH2 3.46Å
22	Q	88.9	Confident	85.8	Confident	46 Å²	46	74.9 Å²	74.9	22%	0.215	36%	0.356	C	S	.	.	H	α-helix	trans	-68	-44.2	171.8	-69.5	173	19.3	0	0	111.8	E18 N20 K24 R25 D26 F27	E18-Q22 WeakPolarHBondContact O-CG 3.32Å; E18-Q22 PolarHBondContact O-N 2.9Å; E18-Q22 PolarHBondContact OE1-NE2 3.42Å; N20-Q22 VanDerWaalsContact C-N 3.31Å; N20-Q22 PolarHBondContact O-N 2.95Å; Q22-K24 PolarHBondContact O-N 3.34Å; Q22-R25 CarbonylContact O-C 3.6Å; Q22-R25 PolarHBondContact O-N 3.25Å; Q22-R25 VanDerWaalsContact O-N 3.07Å; Q22-D26 PolarHBondContact O-N 3.24Å; Q22-F27 HydrophobicContact CB-CB 4.35Å; Q22-F27 HydrophobicContact CG-CD1 4.42Å; Q22-F27 PolarHBondContact O-N 2.87Å
23	R	90.7	Very high	86.3	Confident	30 Å²	30	69.8 Å²	69.8	11%	0.113	33%	0.329	C	S	.	.	H	α-helix	trans	-55.7	-47.2	174.5	168.6	177.1	159.2	-121.6	-4	112.3	L19 N20 R25 D26 K41 D87 Y90	L19-R23 WeakPolarHBondContact O-CB 3.18Å; L19-R23 PolarHBondContact O-N 3.36Å; N20-R23 PolarHBondContact O-N 2.9Å; R23-R25 PolarHBondContact O-N 2.88Å; R23-D26 PolarHBondContact O-N 2.94Å; R23-K41 PolarHBondContact NE-O 2.69Å; R23-D87 IonicContact CZ-OD1 3.85Å; R23-D87 VanDerWaalsContact CZ-OD1 3.27Å; R23-D87 IonicContact NH1-OD1 3.67Å; R23-D87 PolarHBondContact NH1-OD1 3.15Å; R23-D87 IonicContact NH2-OD1 3.64Å; R23-D87 PolarHBondContact NH2-OD1 2.81Å; R23-Y90 HydrophobicContact CB-CD1 4.35Å; R23-Y90 HydrophobicContact CB-CE1 3.95Å; R23-Y90 VanDerWaalsContact CD-CE2 3.48Å
24	K	86.9	Confident	86.7	Confident	125 Å²	125	69.1 Å²	69.1	54%	0.543	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-15.9	179.2	-67.6	171.6	-161.1	167.6	0	114.4	N20 E21 Q22	N20-K24 WeakPolarHBondContact O-CG 3.3Å; N20-K24 PolarHBondContact O-N 3.3Å; N20-K24 WeakPolarHBondContact OD1-CE 3.33Å; E21-K24 WeakPolarHBondContact OE1-CD 3.49Å; E21-K24 IonicContact OE1-NZ 3.3Å; E21-K24 PolarHBondContact OE1-NZ 3.18Å; Q22-K24 PolarHBondContact O-N 3.34Å
25	R	87.6	Confident	87.2	Confident	161 Å²	161	61.9 Å²	61.9	61%	0.608	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	12	176.9	-67.3	174.6	-176.8	72.1	-3.2	112	E21 Q22 R23 F27	E21-R25 VanDerWaalsContact C-NH1 3.35Å; E21-R25 WeakPolarHBondContact O-CG 3.48Å; E21-R25 PolarHBondContact O-N 2.63Å; E21-R25 PolarHBondContact O-NH1 3.45Å; E21-R25 IonicContact OE2-CZ 3.02Å; E21-R25 VanDerWaalsContact OE2-CZ 3.3Å; E21-R25 IonicContact OE2-NH1 3.38Å; E21-R25 PolarHBondContact OE2-NH1 3.15Å; E21-R25 IonicContact OE2-NH2 3.17Å; E21-R25 PolarHBondContact OE2-NH2 3.46Å; Q22-R25 CarbonylContact O-C 3.6Å; Q22-R25 PolarHBondContact O-N 3.25Å; Q22-R25 VanDerWaalsContact O-N 3.07Å; R23-R25 PolarHBondContact O-N 2.88Å; R25-F27 PolarHBondContact O-N 2.59Å; R25-F27 VanDerWaalsContact O-N 3.07Å
26	D	83.3	Confident	87.3	Confident	87 Å²	87	64.4 Å²	64.4	47%	0.465	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	20.9	-173.8	-69.4	-12.7	0	0	0	114.4	Q22 R23 K41	Q22-D26 PolarHBondContact O-N 3.24Å; R23-D26 PolarHBondContact O-N 2.94Å; D26-K41 HydrophobicContact CB-CD 4.17Å; D26-K41 WeakPolarHBondContact OD1-CD 3.39Å; D26-K41 IonicContact OD1-NZ 2.69Å; D26-K41 WeakPolarHBondContact OD2-CD 3.34Å; D26-K41 IonicContact OD2-NZ 2.91Å; D26-K41 PolarHBondContact OD2-NZ 2.95Å
27	F	83.1	Confident	87.1	Confident	114 Å²	114	65.9 Å²	65.9	50%	0.5	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	133.6	-176.1	-155.2	-125.3	0	0	0	109.8	Q22 R25 C29 H43	Q22-F27 HydrophobicContact CB-CB 4.35Å; Q22-F27 HydrophobicContact CG-CD1 4.42Å; Q22-F27 PolarHBondContact O-N 2.87Å; R25-F27 PolarHBondContact O-N 2.59Å; R25-F27 VanDerWaalsContact O-N 3.07Å; F27-C29 PolarHBondContact O-N 2.68Å; F27-C29 PolarHBondContact O-SG 3.17Å; F27-H43 PolarHBondContact O-NE2 2.9Å
28	F	80.9	Confident	87.4	Confident	127 Å²	127	65 Å²	65	56%	0.557	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	28	-176.3	-58.3	-54.8	0	0	0	115.9	D30 H43	F28-D30 VanDerWaalsContact C-N 3.33Å; F28-D30 PolarHBondContact O-N 2.72Å; F28-H43 PolarHBondContact O-CD2 3.31Å
29	C	84.9	Confident	87.6	Confident	9 Å²	9	64.7 Å²	64.7	6%	0.061	32%	0.321	C	S	.	.			trans	-82.6	77	177	-73.2	0	0	0	0	111.4	F27 C31 K41	F27-C29 PolarHBondContact O-N 2.68Å; F27-C29 PolarHBondContact O-SG 3.17Å; C29-C31 PolarHBondContact O-N 3.02Å; C29-K41 HydrophobicContact CB-CB 3.97Å
30	D	82.6	Confident	87.7	Confident	75 Å²	75	64 Å²	64	40%	0.401	32%	0.317	S	S	.	.			trans	-68.4	-13.3	-178.5	-50.9	-37.2	0	0	0	113.5	F28 S70	F28-D30 VanDerWaalsContact C-N 3.33Å; F28-D30 PolarHBondContact O-N 2.72Å; D30-S70 WeakPolarHBondContact O-CB 3.26Å; D30-S70 PolarHBondContact O-N 3.32Å
31	C	86.3	Confident	87.8	Confident	4 Å²	4	67 Å²	67	3%	0.027	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.4	177.8	-64.8	0	0	0	0	112.4	C29 K41 A42 R44 L47 L62 S70	C29-C31 PolarHBondContact O-N 3.02Å; C31-K41 WeakPolarHBondContact O-CA 3.34Å; C31-A42 WeakPolarHBondContact CA-O 3.23Å; C31-A42 WeakPolarHBondContact CB-O 3.42Å; C31-A42 PolarHBondContact N-O 3.35Å; C31-A42 PolarHBondContact O-N 2.74Å; C31-A42 VanDerWaalsContact O-O 3.14Å; C31-R44 VanDerWaalsContact SG-CB 3.58Å; C31-L47 HydrophobicContact CB-CD1 3.89Å; C31-L62 VanDerWaalsContact SG-CD1 3.59Å; C31-S70 CarbonylContact C-O 3.55Å; C31-S70 WeakPolarHBondContact CA-O 3.12Å
32	S	89.1	Confident	87.9	Confident	21 Å²	21	65.1 Å²	65.1	15%	0.147	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.9	170.4	-67.9	0	0	0	0	109.5	S70 T71 A72	S32-S70 PolarHBondContact N-O 3.45Å; S32-T71 VanDerWaalsContact O-CA 3.31Å; S32-T71 WeakPolarHBondContact O-CA 3.38Å; S32-A72 PolarHBondContact O-N 2.84Å; S32-A72 VanDerWaalsContact O-N 3.11Å
33	I	90.5	Very high	88	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.015	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.7	-175.2	-53.9	167.7	0	0	0	108.5	V35 V39 F40 L47 F54 A72 L74 F82	I33-V35 HydrophobicContact CG2-CG2 3.79Å; I33-V39 WeakPolarHBondContact O-CA 3.32Å; I33-F40 HydrophobicContact CB-CB 4.34Å; I33-F40 PolarHBondContact N-O 2.7Å; I33-F40 PolarHBondContact O-N 2.91Å; I33-L47 HydrophobicContact CD1-CD1 3.8Å; I33-L47 HydrophobicContact CD1-CD2 3.77Å; I33-L47 HydrophobicContact CD1-CG 4.45Å; I33-F54 HydrophobicContact CD1-CE1 4Å; I33-F54 HydrophobicContact CD1-CE2 4.34Å; I33-F54 HydrophobicContact CD1-CZ 3.64Å; I33-A72 CarbonylContact C-O 3.4Å; I33-A72 WeakPolarHBondContact CA-O 3.46Å; I33-L74 HydrophobicContact CG2-CD1 3.83Å; I33-L74 HydrophobicContact CG2-CG 3.82Å; I33-F82 HydrophobicContact CB-CE1 4.3Å; I33-F82 HydrophobicContact CB-CZ 4.49Å; I33-F82 HydrophobicContact CD1-CE1 4.03Å; I33-F82 HydrophobicContact CD1-CZ 3.56Å; I33-F82 HydrophobicContact CG2-CE1 4.14Å; I33-F82 HydrophobicContact CG2-CZ 4.17Å
34	L	90.1	Very high	87.8	Confident	68 Å²	68	64.6 Å²	64.6	36%	0.356	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	120.5	176.2	-76.5	163	0	0	0	109.6	R38 V39 T71 A72 S73 L74	L34-R38 WeakPolarHBondContact CA-O 3.39Å; L34-V39 HydrophobicContact CD2-CG2 3.67Å; L34-T71 HydrophobicContact CD1-CG2 3.71Å; L34-T71 HydrophobicContact CG-CG2 4.28Å; L34-A72 PolarHBondContact N-O 3.49Å; L34-S73 CarbonylContact O-C 3.56Å; L34-S73 WeakPolarHBondContact O-CA 3.48Å; L34-L74 PolarHBondContact O-N 3.07Å
35	V	93.2	Very high	87.8	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	115.7	178.5	-164.2	0	0	0	0	108	I33 G37 R38 F40 L74 V77 A79 F82	I33-V35 HydrophobicContact CG2-CG2 3.79Å; V35-G37 PolarHBondContact O-N 3.17Å; V35-G37 VanDerWaalsContact O-N 3.1Å; V35-R38 PolarHBondContact N-O 3.02Å; V35-R38 WeakPolarHBondContact O-CB 3.31Å; V35-R38 PolarHBondContact O-N 2.79Å; V35-F40 HydrophobicContact CB-CD2 4.19Å; V35-F40 HydrophobicContact CB-CE2 3.96Å; V35-F40 HydrophobicContact CG2-CD2 3.85Å; V35-F40 HydrophobicContact CG2-CE2 4.07Å; V35-L74 HydrophobicContact CG1-CB 4.37Å; V35-L74 HydrophobicContact CG2-CB 4.11Å; V35-L74 HydrophobicContact CG2-CD1 3.93Å; V35-L74 HydrophobicContact CG2-CG 4.27Å; V35-V77 HydrophobicContact CG1-CB 4.44Å; V35-V77 WeakPolarHBondContact CG1-O 3.46Å; V35-A79 HydrophobicContact CB-CB 4.26Å; V35-A79 HydrophobicContact CG1-CB 4.12Å; V35-F82 HydrophobicContact CG1-CB 4.24Å; V35-F82 HydrophobicContact CG2-CB 4.37Å; V35-F82 HydrophobicContact CG2-CD1 3.72Å; V35-F82 HydrophobicContact CG2-CE1 4.25Å; V35-F82 HydrophobicContact CG2-CG 4Å
36	E	88.9	Confident	87.9	Confident	122 Å²	122	57.6 Å²	57.6	57%	0.57	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	35.9	-175.6	-57.5	178.2	135.9	0	0	113.5	R38 A79	E36-R38 VanDerWaalsContact C-N 3.26Å; E36-R38 PolarHBondContact O-N 3.06Å; E36-A79 HydrophobicContact CB-CB 4.3Å; E36-A79 WeakPolarHBondContact OE2-CB 3.35Å; E36-A79 PolarHBondContact OE2-N 2.9Å
37	G	84.1	Confident	88.2	Confident	71 Å²	71	53.5 Å²	53.5	73%	0.732	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	-4.8	-176.5	0	0	0	0	0	115.7	V35	V35-G37 PolarHBondContact O-N 3.17Å; V35-G37 VanDerWaalsContact O-N 3.1Å
38	R	90.9	Very high	88.5	Confident	110 Å²	110	51.1 Å²	51.1	42%	0.415	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142.8	170.3	-47.7	-165.9	-155.5	163.7	8.1	110.1	L34 V35 E36 F40 A79 D80	L34-R38 WeakPolarHBondContact CA-O 3.39Å; V35-R38 PolarHBondContact N-O 3.02Å; V35-R38 WeakPolarHBondContact O-CB 3.31Å; V35-R38 PolarHBondContact O-N 2.79Å; E36-R38 VanDerWaalsContact C-N 3.26Å; E36-R38 PolarHBondContact O-N 3.06Å; R38-F40 HydrophobicContact CB-CD2 4.48Å; R38-F40 HydrophobicContact CB-CE2 3.85Å; R38-F40 HydrophobicContact CB-CZ 4.48Å; R38-A79 HydrophobicContact CB-CB 4.44Å; R38-A79 HydrophobicContact CG-CB 4.09Å; R38-D80 IonicContact CZ-OD1 3.96Å; R38-D80 IonicContact CZ-OD2 3.61Å; R38-D80 IonicContact NH1-OD1 2.59Å; R38-D80 PolarHBondContact NH1-OD1 3.28Å; R38-D80 IonicContact NH1-OD2 2.68Å; R38-D80 IonicContact NH2-OD1 3.96Å; R38-D80 PolarHBondContact NH2-OD1 3.01Å; R38-D80 IonicContact NH2-OD2 2.69Å; R38-D80 PolarHBondContact NH2-OD2 3.18Å
39	V	90.4	Very high	88.9	Confident	88 Å²	88	49.3 Å²	49.3	53%	0.533	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.1	177.8	-179.7	0	0	0	0	110.3	I33 L34	I33-V39 WeakPolarHBondContact O-CA 3.32Å; L34-V39 HydrophobicContact CD2-CG2 3.67Å
40	F	91.9	Very high	89.1	Confident	24 Å²	24	50.1 Å²	50.1	11%	0.105	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.9	175.3	-67.2	-93.8	0	0	0	110.6	I33 V35 R38 A79 F82 L86	I33-F40 HydrophobicContact CB-CB 4.34Å; I33-F40 PolarHBondContact N-O 2.7Å; I33-F40 PolarHBondContact O-N 2.91Å; V35-F40 HydrophobicContact CB-CD2 4.19Å; V35-F40 HydrophobicContact CB-CE2 3.96Å; V35-F40 HydrophobicContact CG2-CD2 3.85Å; V35-F40 HydrophobicContact CG2-CE2 4.07Å; R38-F40 HydrophobicContact CB-CD2 4.48Å; R38-F40 HydrophobicContact CB-CE2 3.85Å; R38-F40 HydrophobicContact CB-CZ 4.48Å; F40-A79 HydrophobicContact CE2-CB 4.02Å; F40-A79 HydrophobicContact CZ-CB 4.14Å; F40-A79 VanDerWaalsContact CZ-O 3.31Å; F40-A79 WeakPolarHBondContact CZ-O 3.5Å; F40-F82 HydrophobicContact CB-CD1 4.24Å; F40-F82 HydrophobicContact CB-CE1 3.79Å; F40-F82 HydrophobicContact CD1-CD1 4.05Å; F40-F82 HydrophobicContact CD1-CE1 4.29Å; F40-F82 AromaticContact CD2-CD1 3.76Å; F40-F82 HydrophobicContact CD2-CD1 3.76Å; F40-F82 HydrophobicContact CD2-CE1 4.15Å; F40-F82 HydrophobicContact CE1-CD1 4.32Å; F40-F82 HydrophobicContact CE2-CD1 4.05Å; F40-F82 AromaticContact CG-CD1 3.75Å; F40-F82 HydrophobicContact CG-CD1 3.75Å; F40-F82 AromaticContact CG-CE1 3.83Å; F40-F82 HydrophobicContact CG-CE1 3.83Å; F40-F82 HydrophobicContact CZ-CD1 4.31Å; F40-L86 HydrophobicContact CB-CD2 4.01Å; F40-L86 HydrophobicContact CD1-CD2 4.08Å; F40-L86 HydrophobicContact CG-CD2 4.45Å
41	K	90.9	Very high	89.6	Confident	82 Å²	82	46.8 Å²	46.8	36%	0.357	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	139.8	175.8	-72.6	174.3	-179.7	-178.6	0	111.6	R23 D26 C29 C31	R23-K41 PolarHBondContact NE-O 2.69Å; D26-K41 HydrophobicContact CB-CD 4.17Å; D26-K41 WeakPolarHBondContact OD1-CD 3.39Å; D26-K41 IonicContact OD1-NZ 2.69Å; D26-K41 WeakPolarHBondContact OD2-CD 3.34Å; D26-K41 IonicContact OD2-NZ 2.91Å; D26-K41 PolarHBondContact OD2-NZ 2.95Å; C29-K41 HydrophobicContact CB-CB 3.97Å; C31-K41 WeakPolarHBondContact O-CA 3.34Å
42	A	91.5	Very high	89.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	159	179.5	0	0	0	0	0	112.8	C31 L47 L86 Y90	C31-A42 WeakPolarHBondContact CA-O 3.23Å; C31-A42 WeakPolarHBondContact CB-O 3.42Å; C31-A42 PolarHBondContact N-O 3.35Å; C31-A42 PolarHBondContact O-N 2.74Å; C31-A42 VanDerWaalsContact O-O 3.14Å; A42-L47 HydrophobicContact CB-CD1 3.99Å; A42-L47 HydrophobicContact CB-CD2 4.12Å; A42-L47 HydrophobicContact CB-CG 4.09Å; A42-L86 HydrophobicContact CB-CD1 4.24Å; A42-Y90 HydrophobicContact CB-CE2 4.29Å
43	H	89.4	Confident	89.8	Confident	15 Å²	15	48.9 Å²	48.9	7%	0.069	28%	0.278	C	S	.	.			trans	-74.5	131	167.6	-49.5	86	0	0	0	110.9	L19 F27 F28 N45 V46 L47 Y90	L19-H43 PolarHBondContact O-CE1 2.96Å; F27-H43 PolarHBondContact O-NE2 2.9Å; F28-H43 PolarHBondContact O-CD2 3.31Å; H43-N45 PolarHBondContact O-N 3.29Å; H43-V46 HydrophobicContact CB-CG2 4.22Å; H43-V46 PolarHBondContact O-N 2.95Å; H43-L47 PolarHBondContact O-N 3.07Å; H43-Y90 WeakPolarHBondContact CB-OH 3.48Å; H43-Y90 PolarHBondContact N-OH 3.29Å; H43-Y90 AromaticContact ND1-CE1 3.53Å; H43-Y90 AromaticContact ND1-CZ 3.65Å; H43-Y90 PolarHBondContact ND1-OH 3.21Å
44	R	86.8	Confident	89.7	Confident	51 Å²	51	48.8 Å²	48.8	19%	0.192	28%	0.278	C	S	.	.	H	α-helix	trans	-48.7	-44.4	175.7	-172.9	176.8	176.2	169.9	-1.3	112.7	C31 V46 L47 F48 L58 L62	C31-R44 VanDerWaalsContact SG-CB 3.58Å; R44-V46 PolarHBondContact O-N 3.46Å; R44-L47 PolarHBondContact O-N 3.36Å; R44-F48 VanDerWaalsContact O-CB 3.3Å; R44-F48 WeakPolarHBondContact O-CB 3.19Å; R44-F48 PolarHBondContact O-N 3.4Å; R44-L58 HydrophobicContact CG-CB 4.31Å; R44-L58 HydrophobicContact CG-CD1 4.14Å; R44-L58 PolarHBondContact NE-O 2.91Å; R44-L58 PolarHBondContact NH2-O 2.95Å; R44-L62 HydrophobicContact CG-CD1 4.26Å; R44-L62 VanDerWaalsContact CZ-CB 3.5Å; R44-L62 PolarHBondContact NH1-O 3.31Å; R44-L62 PolarHBondContact NH2-O 2.84Å
45	N	86.8	Confident	89.6	Confident	125 Å²	125	52.5 Å²	52.5	67%	0.668	29%	0.287	S	S	*	.	H	α-helix	trans	-66	-34	-173.6	-61	-11	0	0	0	113.3	H43 A49	H43-N45 PolarHBondContact O-N 3.29Å; N45-A49 VanDerWaalsContact O-CB 3.3Å; N45-A49 WeakPolarHBondContact O-CB 3.42Å; N45-A49 PolarHBondContact O-N 3.03Å
46	V	90.3	Very high	89.2	Confident	14 Å²	14	55.6 Å²	55.6	9%	0.085	31%	0.313	C	S	.	.	H	α-helix	trans	-74.6	-39.5	179.6	178.6	0	0	0	0	110.7	L19 H43 R44 G50 L89 Y90	L19-V46 HydrophobicContact CD1-CG2 4.12Å; H43-V46 HydrophobicContact CB-CG2 4.22Å; H43-V46 PolarHBondContact O-N 2.95Å; R44-V46 PolarHBondContact O-N 3.46Å; V46-G50 PolarHBondContact O-N 3.32Å; V46-L89 HydrophobicContact CG1-CB 4.1Å; V46-Y90 HydrophobicContact CB-CE1 4.22Å; V46-Y90 HydrophobicContact CB-CE2 4.1Å; V46-Y90 HydrophobicContact CG1-CD1 4.37Å; V46-Y90 HydrophobicContact CG1-CD2 3.99Å; V46-Y90 HydrophobicContact CG1-CE1 4.07Å; V46-Y90 HydrophobicContact CG1-CE2 3.62Å; V46-Y90 HydrophobicContact CG1-CG 4.35Å; V46-Y90 HydrophobicContact CG2-CE1 3.88Å
47	L	90.3	Very high	88.8	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-47.5	173.8	-60.4	167.8	0	0	0	111.2	C31 I33 A42 H43 R44 A49 G50 S51 F54 L58 L86 L89	C31-L47 HydrophobicContact CB-CD1 3.89Å; I33-L47 HydrophobicContact CD1-CD1 3.8Å; I33-L47 HydrophobicContact CD1-CD2 3.77Å; I33-L47 HydrophobicContact CD1-CG 4.45Å; A42-L47 HydrophobicContact CB-CD1 3.99Å; A42-L47 HydrophobicContact CB-CD2 4.12Å; A42-L47 HydrophobicContact CB-CG 4.09Å; H43-L47 PolarHBondContact O-N 3.07Å; R44-L47 PolarHBondContact O-N 3.36Å; L47-A49 PolarHBondContact O-N 2.93Å; L47-G50 PolarHBondContact O-N 2.85Å; L47-S51 PolarHBondContact O-N 2.58Å; L47-S51 VanDerWaalsContact O-N 3.1Å; L47-F54 HydrophobicContact CB-CB 4.01Å; L47-F54 HydrophobicContact CB-CD2 4.05Å; L47-F54 HydrophobicContact CB-CG 4Å; L47-F54 HydrophobicContact CD2-CD2 4Å; L47-F54 HydrophobicContact CD2-CE2 3.91Å; L47-F54 HydrophobicContact CD2-CZ 4.42Å; L47-L58 HydrophobicContact CB-CD1 3.66Å; L47-L58 HydrophobicContact CD1-CD1 4.37Å; L47-L86 HydrophobicContact CD2-CD1 3.8Å; L47-L89 HydrophobicContact CD2-CD1 4.4Å
48	F	89.4	Confident	88.4	Confident	64 Å²	64	48.2 Å²	48.2	28%	0.281	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-39.4	178.5	-176.1	-76	0	0	0	113	R44 R55 L58 V59	R44-F48 VanDerWaalsContact O-CB 3.3Å; R44-F48 WeakPolarHBondContact O-CB 3.19Å; R44-F48 PolarHBondContact O-N 3.4Å; F48-R55 HydrophobicContact CD1-CG 4.44Å; F48-R55 HydrophobicContact CD2-CG 4.32Å; F48-R55 HydrophobicContact CE1-CG 4.15Å; F48-R55 HydrophobicContact CE2-CG 4.05Å; F48-R55 HydrophobicContact CZ-CG 3.95Å; F48-L58 HydrophobicContact CB-CD1 4.11Å; F48-L58 HydrophobicContact CD2-CB 4.31Å; F48-V59 HydrophobicContact CE2-CG2 3.6Å; F48-V59 HydrophobicContact CZ-CG2 4.2Å
49	A	89.4	Confident	87.4	Confident	89 Å²	89	45.7 Å²	45.7	74%	0.736	26%	0.257	S	S	*	.	H	α-helix	trans	-75.1	-28.2	176.2	0	0	0	0	0	112.8	N45 L47	N45-A49 VanDerWaalsContact O-CB 3.3Å; N45-A49 WeakPolarHBondContact O-CB 3.42Å; N45-A49 PolarHBondContact O-N 3.03Å; L47-A49 PolarHBondContact O-N 2.93Å
50	G	87.8	Confident	85.8	Confident	25 Å²	25	45 Å²	45	26%	0.258	25%	0.247	S	C	.	.	H	α-helix	trans	-90.8	-21.9	-171.9	0	0	0	0	0	116.5	V46 L47 M113	V46-G50 PolarHBondContact O-N 3.32Å; L47-G50 PolarHBondContact O-N 2.85Å; G50-M113 WeakPolarHBondContact O-CE 3.44Å
51	S	92.6	Very high	83.9	Confident	6 Å²	6	51.7 Å²	51.7	4%	0.042	27%	0.273	C	S	.	.			trans	-144.6	133.1	-167.7	157.8	0	0	0	0	112.1	L47 Y53 F54 R55 L111	L47-S51 PolarHBondContact O-N 2.58Å; L47-S51 VanDerWaalsContact O-N 3.1Å; S51-Y53 PolarHBondContact OG-N 2.63Å; S51-F54 PolarHBondContact OG-N 2.77Å; S51-R55 WeakPolarHBondContact O-CB 3.45Å; S51-R55 PolarHBondContact O-N 3.33Å; S51-L111 WeakPolarHBondContact CB-O 3.38Å; S51-L111 PolarHBondContact OG-O 3.07Å
52	G	89.8	Confident	82.2	Confident	25 Å²	25	48.3 Å²	48.3	26%	0.258	26%	0.259	S	S	.	.	H	α-helix	trans	-65.2	-37.9	174.1	0	0	0	0	0	112.8	R55 A56 L111	G52-R55 PolarHBondContact O-N 2.89Å; G52-A56 PolarHBondContact O-N 3.04Å; G52-L111 PolarHBondContact N-O 2.9Å
53	Y	91.1	Very high	80.2	Confident	43 Å²	43	55.1 Å²	55.1	17%	0.169	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-50.7	175.3	175	-88.1	0	0	0	111.4	S51 R55 A56 L57 L74 Y110 L111	S51-Y53 PolarHBondContact OG-N 2.63Å; Y53-R55 VanDerWaalsContact C-N 3.33Å; Y53-R55 PolarHBondContact O-N 3.27Å; Y53-A56 PolarHBondContact O-N 3.06Å; Y53-L57 HydrophobicContact CE1-CD1 3.78Å; Y53-L57 WeakPolarHBondContact O-CB 3.31Å; Y53-L57 PolarHBondContact O-N 3.46Å; Y53-L74 HydrophobicContact CD1-CD2 4.43Å; Y53-L74 HydrophobicContact CE1-CD2 3.63Å; Y53-Y110 HydrophobicContact CD2-CD1 4.46Å; Y53-Y110 AromaticContact CD2-CE1 3.97Å; Y53-Y110 HydrophobicContact CD2-CE1 3.97Å; Y53-Y110 HydrophobicContact CE1-CE1 4.22Å; Y53-Y110 HydrophobicContact CE2-CD1 4.43Å; Y53-Y110 AromaticContact CE2-CE1 3.52Å; Y53-Y110 HydrophobicContact CE2-CE1 3.52Å; Y53-Y110 AromaticContact CE2-CZ 3.63Å; Y53-Y110 WeakPolarHBondContact CE2-OH 3.12Å; Y53-Y110 HydrophobicContact CG-CE1 4.48Å; Y53-Y110 AromaticContact CZ-CE1 3.67Å; Y53-Y110 AromaticContact CZ-CZ 3.99Å; Y53-Y110 PolarHBondContact OH-OH 2.95Å; Y53-L111 HydrophobicContact CD1-CD2 3.72Å; Y53-L111 HydrophobicContact CE1-CD2 4.37Å; Y53-L111 HydrophobicContact CG-CD2 4.17Å; Y53-L111 PolarHBondContact N-O 3.36Å
54	F	88.9	Confident	78	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.009	33%	0.325	C	S	.	.	H	α-helix	trans	-66.7	-35.1	176.1	-75.1	-52	0	0	0	111.4	I33 L47 S51 A56 L57 L58 L74 F82 L111	I33-F54 HydrophobicContact CD1-CE1 4Å; I33-F54 HydrophobicContact CD1-CE2 4.34Å; I33-F54 HydrophobicContact CD1-CZ 3.64Å; L47-F54 HydrophobicContact CB-CB 4.01Å; L47-F54 HydrophobicContact CB-CD2 4.05Å; L47-F54 HydrophobicContact CB-CG 4Å; L47-F54 HydrophobicContact CD2-CD2 4Å; L47-F54 HydrophobicContact CD2-CE2 3.91Å; L47-F54 HydrophobicContact CD2-CZ 4.42Å; S51-F54 PolarHBondContact OG-N 2.77Å; F54-A56 VanDerWaalsContact C-N 3.33Å; F54-A56 PolarHBondContact O-N 3.48Å; F54-L57 PolarHBondContact O-N 3.2Å; F54-L58 HydrophobicContact CB-CD1 3.74Å; F54-L58 HydrophobicContact CB-CG 4.18Å; F54-L58 HydrophobicContact CD1-CD1 4.48Å; F54-L58 HydrophobicContact CD1-CG 4.49Å; F54-L58 HydrophobicContact CG-CD1 4.41Å; F54-L58 WeakPolarHBondContact O-CA 3.2Å; F54-L58 WeakPolarHBondContact O-CB 3.5Å; F54-L58 WeakPolarHBondContact O-CD1 3.42Å; F54-L58 WeakPolarHBondContact O-CG 3.44Å; F54-L58 PolarHBondContact O-N 2.93Å; F54-L74 HydrophobicContact CE1-CD2 4.4Å; F54-L74 HydrophobicContact CZ-CD1 4.13Å; F54-L74 HydrophobicContact CZ-CD2 4.27Å; F54-F82 AromaticContact CE2-CE2 3.93Å; F54-F82 HydrophobicContact CE2-CE2 3.93Å; F54-F82 HydrophobicContact CE2-CZ 4.21Å; F54-F82 AromaticContact CZ-CE2 3.98Å; F54-F82 HydrophobicContact CZ-CE2 3.98Å; F54-F82 HydrophobicContact CZ-CZ 4.09Å; F54-L111 HydrophobicContact CD2-CD2 4.18Å; F54-L111 HydrophobicContact CE2-CD1 4.41Å; F54-L111 HydrophobicContact CE2-CD2 3.66Å; F54-L111 HydrophobicContact CZ-CD2 3.93Å
55	R	87.3	Confident	76.1	Confident	146 Å²	146	61.2 Å²	61.2	55%	0.551	33%	0.332	S	S	*	.	H	α-helix	trans	-57.9	-45.8	170.3	-173.1	174	174	128.4	-0.7	111.5	F48 S51 G52 Y53 V59	F48-R55 HydrophobicContact CD1-CG 4.44Å; F48-R55 HydrophobicContact CD2-CG 4.32Å; F48-R55 HydrophobicContact CE1-CG 4.15Å; F48-R55 HydrophobicContact CE2-CG 4.05Å; F48-R55 HydrophobicContact CZ-CG 3.95Å; S51-R55 WeakPolarHBondContact O-CB 3.45Å; S51-R55 PolarHBondContact O-N 3.33Å; G52-R55 PolarHBondContact O-N 2.89Å; Y53-R55 VanDerWaalsContact C-N 3.33Å; Y53-R55 PolarHBondContact O-N 3.27Å; R55-V59 WeakPolarHBondContact O-CG2 3.35Å; R55-V59 PolarHBondContact O-N 3.29Å
56	A	84.7	Confident	74.2	Confident	64 Å²	64	59.4 Å²	59.4	53%	0.529	34%	0.342	S	S	.	.	H	α-helix	trans	-64	-46.1	177.8	0	0	0	0	0	113	G52 Y53 F54	G52-A56 PolarHBondContact O-N 3.04Å; Y53-A56 PolarHBondContact O-N 3.06Å; F54-A56 VanDerWaalsContact C-N 3.33Å; F54-A56 PolarHBondContact O-N 3.48Å
57	L	81.1	Confident	72.3	Confident	35 Å²	35	65.7 Å²	65.7	18%	0.183	37%	0.371	C	S	.	.	H	α-helix	trans	-68	-48.4	-179.2	-171.7	156.6	0	0	0	111.8	Y53 F54 V59 Y61 A72	Y53-L57 HydrophobicContact CE1-CD1 3.78Å; Y53-L57 WeakPolarHBondContact O-CB 3.31Å; Y53-L57 PolarHBondContact O-N 3.46Å; F54-L57 PolarHBondContact O-N 3.2Å; L57-V59 VanDerWaalsContact C-N 3.32Å; L57-V59 PolarHBondContact O-N 3.25Å; L57-Y61 WeakPolarHBondContact O-CB 3.4Å; L57-Y61 PolarHBondContact O-N 2.99Å; L57-A72 HydrophobicContact CD1-CB 4.28Å; L57-A72 HydrophobicContact CD2-CB 4.24Å
58	L	75.7	Confident	70.5	Confident	4 Å²	4	76.1 Å²	76.1	2%	0.021	41%	0.41	C	S	.	.	H	α-helix	trans	-79.1	-7.3	-171.9	-51	170.1	0	0	0	113.6	R44 L47 F48 F54 L62	R44-L58 HydrophobicContact CG-CB 4.31Å; R44-L58 HydrophobicContact CG-CD1 4.14Å; R44-L58 PolarHBondContact NE-O 2.91Å; R44-L58 PolarHBondContact NH2-O 2.95Å; L47-L58 HydrophobicContact CB-CD1 3.66Å; L47-L58 HydrophobicContact CD1-CD1 4.37Å; F48-L58 HydrophobicContact CB-CD1 4.11Å; F48-L58 HydrophobicContact CD2-CB 4.31Å; F54-L58 HydrophobicContact CB-CD1 3.74Å; F54-L58 HydrophobicContact CB-CG 4.18Å; F54-L58 HydrophobicContact CD1-CD1 4.48Å; F54-L58 HydrophobicContact CD1-CG 4.49Å; F54-L58 HydrophobicContact CG-CD1 4.41Å; F54-L58 WeakPolarHBondContact O-CA 3.2Å; F54-L58 WeakPolarHBondContact O-CB 3.5Å; F54-L58 WeakPolarHBondContact O-CD1 3.42Å; F54-L58 WeakPolarHBondContact O-CG 3.44Å; F54-L58 PolarHBondContact O-N 2.93Å; L58-L62 HydrophobicContact CB-CD1 4.3Å; L58-L62 HydrophobicContact CD2-CD1 3.16Å; L58-L62 HydrophobicContact CD2-CG 3.93Å; L58-L62 HydrophobicContact CG-CD1 4.25Å
59	V	68.6	Low	69	Low	56 Å²	56	80.5 Å²	80.5	34%	0.339	43%	0.426	S	S	.	.	H	α-helix	trans	-71.8	-42	171.7	167	0	0	0	0	111.4	F48 R55 L57 Q63	F48-V59 HydrophobicContact CE2-CG2 3.6Å; F48-V59 HydrophobicContact CZ-CG2 4.2Å; R55-V59 WeakPolarHBondContact O-CG2 3.35Å; R55-V59 PolarHBondContact O-N 3.29Å; L57-V59 VanDerWaalsContact C-N 3.32Å; L57-V59 PolarHBondContact O-N 3.25Å; V59-Q63 PolarHBondContact O-OE1 3.41Å
60	H	56.8	Low	68.1	Low	73 Å²	73	76.8 Å²	76.8	34%	0.338	39%	0.394	S	S	.	.	H	α-helix	trans	-108.2	-45.7	-175.2	-63.6	-67.7	0	0	0	113.5	L62 Q63 I253	H60-L62 PolarHBondContact O-N 3.47Å; H60-Q63 PolarHBondContact O-N 2.71Å; H60-I253 WeakPolarHBondContact NE2-CG2 3.47Å
61	Y	53	Low	67.5	Low	166 Å²	166	79.3 Å²	79.3	65%	0.651	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.3	-164.8	-146.7	-99.4	0	0	0	114.4	L57	L57-Y61 WeakPolarHBondContact O-CB 3.4Å; L57-Y61 PolarHBondContact O-N 2.99Å
62	L	53.9	Low	66.9	Low	10 Å²	10	79.7 Å²	79.7	5%	0.052	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	19.1	-169.6	-53.8	-163.7	0	0	0	114.4	C31 R44 L58 H60 S70	C31-L62 VanDerWaalsContact SG-CD1 3.59Å; R44-L62 HydrophobicContact CG-CD1 4.26Å; R44-L62 VanDerWaalsContact CZ-CB 3.5Å; R44-L62 PolarHBondContact NH1-O 3.31Å; R44-L62 PolarHBondContact NH2-O 2.84Å; L58-L62 HydrophobicContact CB-CD1 4.3Å; L58-L62 HydrophobicContact CD2-CD1 3.16Å; L58-L62 HydrophobicContact CD2-CG 3.93Å; L58-L62 HydrophobicContact CG-CD1 4.25Å; H60-L62 PolarHBondContact O-N 3.47Å; L62-S70 WeakPolarHBondContact CD1-OG 3.37Å; L62-S70 WeakPolarHBondContact CD2-OG 3.4Å
63	Q	50.8	Low	66.7	Low	143 Å²	143	81 Å²	81	67%	0.668	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-33.8	168.7	-91.8	164.4	-24.9	0	0	111.6	V59 H60	V59-Q63 PolarHBondContact O-OE1 3.41Å; H60-Q63 PolarHBondContact O-N 2.71Å
64	D	43.3	Very low	66.6	Low	148 Å²	148	79 Å²	79	79%	0.791	41%	0.406	S	S	*	.	S	Bend	trans	-74.4	-25.8	-179.2	-58.8	-17.8	0	0	0	113.1	G66	D64-G66 PolarHBondContact O-N 2.94Å
65	S	47	Very low	66.4	Low	47 Å²	47	85.4 Å²	85.4	33%	0.329	44%	0.44	S	S	.	.			trans	-79	108.4	172	53	0	0	0	0	110.5	Q67	S65-Q67 PolarHBondContact O-N 3.48Å
66	G	46.8	Very low	66.3	Low	87 Å²	87	84.8 Å²	84.8	90%	0.897	45%	0.447	S	S	*	.			trans	-63.6	7.7	173.9	0	0	0	0	0	115.5	D64	D64-G66 PolarHBondContact O-N 2.94Å
67	Q	50.9	Low	66.7	Low	146 Å²	146	82 Å²	82	68%	0.682	42%	0.423	S	S	*	.	S	Bend	trans	-85.7	131.5	173.9	-66.5	-177.8	-8.5	0	0	109.9	S65 Y69	S65-Q67 PolarHBondContact O-N 3.48Å; Q67-Y69 PolarHBondContact O-N 3.43Å; Q67-Y69 VanDerWaalsContact O-N 3.11Å
68	R	52.2	Low	67.3	Low	219 Å²	219	82.3 Å²	82.3	83%	0.826	43%	0.426	S	S	*	.	S	Bend	trans	-70.7	-1.9	177.5	-65.5	-170.7	-179	-178.3	1.5	114.8
69	Y	57.7	Low	68.1	Low	156 Å²	156	82.1 Å²	82.1	61%	0.612	43%	0.425	S	S	*	.	S	Bend	trans	-126.5	119.9	179.3	-59.9	-68.4	0	0	0	109.1	Q67	Q67-Y69 PolarHBondContact O-N 3.43Å; Q67-Y69 VanDerWaalsContact O-N 3.11Å
70	S	69.4	Low	69.3	Low	11 Å²	11	83.9 Å²	83.9	8%	0.077	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119.4	-173.1	-73.8	0	0	0	0	110.6	D30 C31 S32 L62	D30-S70 WeakPolarHBondContact O-CB 3.26Å; D30-S70 PolarHBondContact O-N 3.32Å; C31-S70 CarbonylContact C-O 3.55Å; C31-S70 WeakPolarHBondContact CA-O 3.12Å; S32-S70 PolarHBondContact N-O 3.45Å; L62-S70 WeakPolarHBondContact CD1-OG 3.37Å; L62-S70 WeakPolarHBondContact CD2-OG 3.4Å
71	T	75.3	Confident	71.1	Confident	79 Å²	79	80.5 Å²	80.5	49%	0.485	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131	-178.7	-53.6	0	0	0	0	111	S32 L34	S32-T71 VanDerWaalsContact O-CA 3.31Å; S32-T71 WeakPolarHBondContact O-CA 3.38Å; L34-T71 HydrophobicContact CD1-CG2 3.71Å; L34-T71 HydrophobicContact CG-CG2 4.28Å
72	A	81.4	Confident	73.1	Confident	14 Å²	14	72.7 Å²	72.7	12%	0.116	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.5	174.8	0	0	0	0	0	110.5	S32 I33 L34 L57	S32-A72 PolarHBondContact O-N 2.84Å; S32-A72 VanDerWaalsContact O-N 3.11Å; I33-A72 CarbonylContact C-O 3.4Å; I33-A72 WeakPolarHBondContact CA-O 3.46Å; L34-A72 PolarHBondContact N-O 3.49Å; L57-A72 HydrophobicContact CD1-CB 4.28Å; L57-A72 HydrophobicContact CD2-CB 4.24Å
73	S	85.7	Confident	75	Confident	52 Å²	52	73.9 Å²	73.9	36%	0.364	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	152	172.8	61.4	0	0	0	0	112.2	L34 D75	L34-S73 CarbonylContact O-C 3.56Å; L34-S73 WeakPolarHBondContact O-CA 3.48Å; S73-D75 WeakPolarHBondContact CB-OD1 3.47Å; S73-D75 PolarHBondContact OG-OD2 3.27Å; S73-D75 VanDerWaalsContact OG-OD2 3.06Å
74	L	88.4	Confident	77.1	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	37%	0.374	C	S	.	.			trans	-125.1	89.4	167.7	-58.3	177.9	0	0	0	108.8	I33 L34 V35 Y53 F54 I76 V77 F82 Y110 L111	I33-L74 HydrophobicContact CG2-CD1 3.83Å; I33-L74 HydrophobicContact CG2-CG 3.82Å; L34-L74 PolarHBondContact O-N 3.07Å; V35-L74 HydrophobicContact CG1-CB 4.37Å; V35-L74 HydrophobicContact CG2-CB 4.11Å; V35-L74 HydrophobicContact CG2-CD1 3.93Å; V35-L74 HydrophobicContact CG2-CG 4.27Å; Y53-L74 HydrophobicContact CD1-CD2 4.43Å; Y53-L74 HydrophobicContact CE1-CD2 3.63Å; F54-L74 HydrophobicContact CE1-CD2 4.4Å; F54-L74 HydrophobicContact CZ-CD1 4.13Å; F54-L74 HydrophobicContact CZ-CD2 4.27Å; L74-I76 VanDerWaalsContact C-N 3.28Å; L74-I76 PolarHBondContact O-N 3.09Å; L74-V77 HydrophobicContact CB-CB 4.18Å; L74-V77 HydrophobicContact CB-CG2 4.34Å; L74-V77 HydrophobicContact CD1-CB 4.49Å; L74-F82 HydrophobicContact CD1-CD2 3.51Å; L74-F82 HydrophobicContact CD1-CE2 3.53Å; L74-F82 HydrophobicContact CD1-CG 4.11Å; L74-F82 HydrophobicContact CD1-CZ 4.13Å; L74-Y110 HydrophobicContact CD2-CE1 3.96Å; L74-L111 HydrophobicContact CD1-CD2 4.3Å; L74-L111 HydrophobicContact CD2-CD2 4.17Å
75	D	83.7	Confident	79.5	Confident	137 Å²	137	61.6 Å²	61.6	73%	0.733	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-2.8	-169.2	-50.5	-55.3	0	0	0	114	S73	S73-D75 WeakPolarHBondContact CB-OD1 3.47Å; S73-D75 PolarHBondContact OG-OD2 3.27Å; S73-D75 VanDerWaalsContact OG-OD2 3.06Å
76	I	86.9	Confident	81.7	Confident	133 Å²	133	59.4 Å²	59.4	68%	0.682	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	-10.3	-175.8	-58.4	-178.5	0	0	0	112.1	L74 Y110	L74-I76 VanDerWaalsContact C-N 3.28Å; L74-I76 PolarHBondContact O-N 3.09Å; I76-Y110 HydrophobicContact CB-CD2 4.42Å; I76-Y110 HydrophobicContact CB-CE2 4.28Å; I76-Y110 HydrophobicContact CD1-CE2 3.98Å; I76-Y110 HydrophobicContact CG2-CD2 4.42Å
77	V	92.3	Very high	83.8	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.03	30%	0.296	C	S	.	.	S	Bend	trans	-104.9	134.5	-173.7	179	0	0	0	0	109.8	V35 L74 F82 A107 Y110	V35-V77 HydrophobicContact CG1-CB 4.44Å; V35-V77 WeakPolarHBondContact CG1-O 3.46Å; L74-V77 HydrophobicContact CB-CB 4.18Å; L74-V77 HydrophobicContact CB-CG2 4.34Å; L74-V77 HydrophobicContact CD1-CB 4.49Å; V77-F82 HydrophobicContact CG1-CB 3.91Å; V77-F82 HydrophobicContact CG1-CD2 4.46Å; V77-A107 HydrophobicContact CG1-CB 3.63Å; V77-A107 HydrophobicContact CG2-CB 4.44Å; V77-Y110 HydrophobicContact CG2-CD1 3.7Å; V77-Y110 HydrophobicContact CG2-CE1 4.33Å; V77-Y110 HydrophobicContact CG2-CG 4.11Å
78	T	92.5	Very high	85.8	Confident	42 Å²	42	54.3 Å²	54.3	26%	0.258	28%	0.275	S	S	.	.			trans	-71.6	140.6	173.4	64.2	0	0	0	0	110.5	D80 A81 F82 E103	T78-D80 PolarHBondContact O-N 3.11Å; T78-A81 PolarHBondContact O-N 2.93Å; T78-A81 WeakPolarHBondContact OG1-CB 3.37Å; T78-A81 PolarHBondContact OG1-N 2.81Å; T78-F82 WeakPolarHBondContact O-CB 3.25Å; T78-F82 PolarHBondContact O-N 2.9Å; T78-E103 PolarHBondContact OG1-OE2 3.46Å
79	A	93.2	Very high	87.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-29.7	-176.3	0	0	0	0	0	112.4	V35 E36 R38 F40 S83	V35-A79 HydrophobicContact CB-CB 4.26Å; V35-A79 HydrophobicContact CG1-CB 4.12Å; E36-A79 HydrophobicContact CB-CB 4.3Å; E36-A79 WeakPolarHBondContact OE2-CB 3.35Å; E36-A79 PolarHBondContact OE2-N 2.9Å; R38-A79 HydrophobicContact CB-CB 4.44Å; R38-A79 HydrophobicContact CG-CB 4.09Å; F40-A79 HydrophobicContact CE2-CB 4.02Å; F40-A79 HydrophobicContact CZ-CB 4.14Å; F40-A79 VanDerWaalsContact CZ-O 3.31Å; F40-A79 WeakPolarHBondContact CZ-O 3.5Å; A79-S83 WeakPolarHBondContact O-CB 3.48Å; A79-S83 PolarHBondContact O-N 3.22Å
80	D	93.1	Very high	89.3	Confident	92 Å²	92	37.4 Å²	37.4	49%	0.492	21%	0.212	S	C	.	.	H	α-helix	trans	-74.7	-41.8	177.4	-64.7	-39.8	0	0	0	111.8	R38 T78 S83 V84	R38-D80 IonicContact CZ-OD1 3.96Å; R38-D80 IonicContact CZ-OD2 3.61Å; R38-D80 IonicContact NH1-OD1 2.59Å; R38-D80 PolarHBondContact NH1-OD1 3.28Å; R38-D80 IonicContact NH1-OD2 2.68Å; R38-D80 IonicContact NH2-OD1 3.96Å; R38-D80 PolarHBondContact NH2-OD1 3.01Å; R38-D80 IonicContact NH2-OD2 2.69Å; R38-D80 PolarHBondContact NH2-OD2 3.18Å; T78-D80 PolarHBondContact O-N 3.11Å; D80-S83 PolarHBondContact O-N 3.34Å; D80-V84 PolarHBondContact O-N 3.17Å
81	A	94.9	Very high	90.2	Very high	3 Å²	3	38.3 Å²	38.3	3%	0.025	22%	0.218	C	C	.	.	H	α-helix	trans	-64.6	-39.5	171	0	0	0	0	0	111.8	T78 S83 V84 I85 E103 V104 A107	T78-A81 PolarHBondContact O-N 2.93Å; T78-A81 WeakPolarHBondContact OG1-CB 3.37Å; T78-A81 PolarHBondContact OG1-N 2.81Å; A81-S83 PolarHBondContact O-N 2.98Å; A81-V84 PolarHBondContact O-N 2.93Å; A81-I85 WeakPolarHBondContact O-CG1 3.47Å; A81-I85 PolarHBondContact O-N 3.1Å; A81-I85 VanDerWaalsContact O-N 3.09Å; A81-E103 HydrophobicContact CB-CB 4.01Å; A81-V104 HydrophobicContact CB-CG2 4.23Å; A81-A107 HydrophobicContact CB-CB 4.05Å
82	F	95.3	Very high	90.7	Very high	1 Å²	1	37 Å²	37	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-40.9	174.9	-171.5	-109.7	0	0	0	112.3	I33 V35 F40 F54 L74 V77 T78 V84 I85 L86 L111	I33-F82 HydrophobicContact CB-CE1 4.3Å; I33-F82 HydrophobicContact CB-CZ 4.49Å; I33-F82 HydrophobicContact CD1-CE1 4.03Å; I33-F82 HydrophobicContact CD1-CZ 3.56Å; I33-F82 HydrophobicContact CG2-CE1 4.14Å; I33-F82 HydrophobicContact CG2-CZ 4.17Å; V35-F82 HydrophobicContact CG1-CB 4.24Å; V35-F82 HydrophobicContact CG2-CB 4.37Å; V35-F82 HydrophobicContact CG2-CD1 3.72Å; V35-F82 HydrophobicContact CG2-CE1 4.25Å; V35-F82 HydrophobicContact CG2-CG 4Å; F40-F82 HydrophobicContact CB-CD1 4.24Å; F40-F82 HydrophobicContact CB-CE1 3.79Å; F40-F82 HydrophobicContact CD1-CD1 4.05Å; F40-F82 HydrophobicContact CD1-CE1 4.29Å; F40-F82 AromaticContact CD2-CD1 3.76Å; F40-F82 HydrophobicContact CD2-CD1 3.76Å; F40-F82 HydrophobicContact CD2-CE1 4.15Å; F40-F82 HydrophobicContact CE1-CD1 4.32Å; F40-F82 HydrophobicContact CE2-CD1 4.05Å; F40-F82 AromaticContact CG-CD1 3.75Å; F40-F82 HydrophobicContact CG-CD1 3.75Å; F40-F82 AromaticContact CG-CE1 3.83Å; F40-F82 HydrophobicContact CG-CE1 3.83Å; F40-F82 HydrophobicContact CZ-CD1 4.31Å; F54-F82 AromaticContact CE2-CE2 3.93Å; F54-F82 HydrophobicContact CE2-CE2 3.93Å; F54-F82 HydrophobicContact CE2-CZ 4.21Å; F54-F82 AromaticContact CZ-CE2 3.98Å; F54-F82 HydrophobicContact CZ-CE2 3.98Å; F54-F82 HydrophobicContact CZ-CZ 4.09Å; L74-F82 HydrophobicContact CD1-CD2 3.51Å; L74-F82 HydrophobicContact CD1-CE2 3.53Å; L74-F82 HydrophobicContact CD1-CG 4.11Å; L74-F82 HydrophobicContact CD1-CZ 4.13Å; V77-F82 HydrophobicContact CG1-CB 3.91Å; V77-F82 HydrophobicContact CG1-CD2 4.46Å; T78-F82 WeakPolarHBondContact O-CB 3.25Å; T78-F82 PolarHBondContact O-N 2.9Å; F82-V84 VanDerWaalsContact C-N 3.33Å; F82-V84 PolarHBondContact O-N 3.1Å; F82-I85 PolarHBondContact O-N 2.96Å; F82-L86 HydrophobicContact CE1-CB 4.29Å; F82-L86 HydrophobicContact CE1-CD2 3.88Å; F82-L86 HydrophobicContact CZ-CB 4.39Å; F82-L86 HydrophobicContact CZ-CD1 4.42Å; F82-L86 HydrophobicContact CZ-CD2 4.35Å; F82-L86 WeakPolarHBondContact O-CB 3.37Å; F82-L86 PolarHBondContact O-N 3.4Å; F82-L111 HydrophobicContact CD2-CD1 3.98Å; F82-L111 HydrophobicContact CE2-CD1 3.93Å
83	S	94.3	Very high	90.9	Very high	36 Å²	36	45.4 Å²	45.4	25%	0.252	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-41.5	176.7	-162	0	0	0	0	112.1	A79 D80 A81 L86 D87	A79-S83 WeakPolarHBondContact O-CB 3.48Å; A79-S83 PolarHBondContact O-N 3.22Å; D80-S83 PolarHBondContact O-N 3.34Å; A81-S83 PolarHBondContact O-N 2.98Å; S83-L86 PolarHBondContact O-N 3.21Å; S83-D87 WeakPolarHBondContact O-CB 3.43Å; S83-D87 PolarHBondContact O-N 3.24Å
84	V	93.9	Very high	91.2	Very high	32 Å²	32	44.7 Å²	44.7	19%	0.194	24%	0.241	C	C	.	.	H	α-helix	trans	-64.4	-42	176.6	173.7	0	0	0	0	111.6	D80 A81 F82 F88 L94 V104	D80-V84 PolarHBondContact O-N 3.17Å; A81-V84 PolarHBondContact O-N 2.93Å; F82-V84 VanDerWaalsContact C-N 3.33Å; F82-V84 PolarHBondContact O-N 3.1Å; V84-F88 PolarHBondContact O-N 3.03Å; V84-L94 HydrophobicContact CG1-CD1 3.95Å; V84-V104 HydrophobicContact CB-CG2 4.14Å; V84-V104 HydrophobicContact CG1-CG1 4.44Å; V84-V104 HydrophobicContact CG1-CG2 4Å
85	I	94.5	Very high	91.2	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-66.6	-44.8	176.8	-68.8	173.2	0	0	0	111	A81 F82 D87 F88 L89 V104 A107 A108 L111 M113 L116	A81-I85 WeakPolarHBondContact O-CG1 3.47Å; A81-I85 PolarHBondContact O-N 3.1Å; A81-I85 VanDerWaalsContact O-N 3.09Å; F82-I85 PolarHBondContact O-N 2.96Å; I85-D87 PolarHBondContact O-N 3.23Å; I85-F88 WeakPolarHBondContact O-CB 3.49Å; I85-F88 PolarHBondContact O-N 3.2Å; I85-L89 WeakPolarHBondContact O-CG 3.49Å; I85-L89 PolarHBondContact O-N 3.4Å; I85-V104 HydrophobicContact CD1-CG1 4.48Å; I85-V104 HydrophobicContact CG1-CG1 4.09Å; I85-A107 HydrophobicContact CD1-CB 3.54Å; I85-A108 HydrophobicContact CD1-CB 4.06Å; I85-L111 HydrophobicContact CD1-CD1 4.14Å; I85-L111 HydrophobicContact CG2-CD1 4.01Å; I85-M113 HydrophobicContact CG2-CE 4.07Å; I85-M113 HydrophobicContact CG2-SD 3.53Å; I85-M113 VanDerWaalsContact CG2-SD 3.53Å; I85-L116 HydrophobicContact CG1-CD1 4.31Å
86	L	93.5	Very high	91.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.6	-39.6	-179.4	-170.6	61	0	0	0	111.3	F40 A42 L47 F82 S83 F88 L89 Y90	F40-L86 HydrophobicContact CB-CD2 4.01Å; F40-L86 HydrophobicContact CD1-CD2 4.08Å; F40-L86 HydrophobicContact CG-CD2 4.45Å; A42-L86 HydrophobicContact CB-CD1 4.24Å; L47-L86 HydrophobicContact CD2-CD1 3.8Å; F82-L86 HydrophobicContact CE1-CB 4.29Å; F82-L86 HydrophobicContact CE1-CD2 3.88Å; F82-L86 HydrophobicContact CZ-CB 4.39Å; F82-L86 HydrophobicContact CZ-CD1 4.42Å; F82-L86 HydrophobicContact CZ-CD2 4.35Å; F82-L86 WeakPolarHBondContact O-CB 3.37Å; F82-L86 PolarHBondContact O-N 3.4Å; S83-L86 PolarHBondContact O-N 3.21Å; L86-F88 VanDerWaalsContact C-N 3.33Å; L86-F88 PolarHBondContact O-N 3.25Å; L86-L89 HydrophobicContact CD1-CD1 4.41Å; L86-L89 WeakPolarHBondContact O-CB 3.27Å; L86-L89 PolarHBondContact O-N 3.48Å; L86-Y90 HydrophobicContact CD1-CD2 4.11Å; L86-Y90 HydrophobicContact CD1-CE2 3.84Å; L86-Y90 HydrophobicContact CG-CD2 4.39Å; L86-Y90 HydrophobicContact CG-CE2 4.45Å; L86-Y90 WeakPolarHBondContact O-CD2 3.43Å; L86-Y90 PolarHBondContact O-N 2.66Å
87	D	91.6	Very high	91.6	Very high	69 Å²	69	40.1 Å²	40.1	37%	0.369	23%	0.226	S	C	.	.	H	α-helix	trans	-70.5	-28.4	175	-74.8	-2	0	0	0	112.7	R23 S83 I85 Y90 S91	R23-D87 IonicContact CZ-OD1 3.85Å; R23-D87 VanDerWaalsContact CZ-OD1 3.27Å; R23-D87 IonicContact NH1-OD1 3.67Å; R23-D87 PolarHBondContact NH1-OD1 3.15Å; R23-D87 IonicContact NH2-OD1 3.64Å; R23-D87 PolarHBondContact NH2-OD1 2.81Å; S83-D87 WeakPolarHBondContact O-CB 3.43Å; S83-D87 PolarHBondContact O-N 3.24Å; I85-D87 PolarHBondContact O-N 3.23Å; D87-Y90 PolarHBondContact O-N 3.49Å; D87-S91 VanDerWaalsContact O-CB 3.25Å; D87-S91 WeakPolarHBondContact O-CB 3.32Å; D87-S91 PolarHBondContact O-N 3.48Å; D87-S91 VanDerWaalsContact O-N 3.1Å; D87-S91 PolarHBondContact O-OG 3.4Å
88	F	92.9	Very high	91.4	Very high	58 Å²	58	44.2 Å²	44.2	25%	0.254	26%	0.255	S	S	.	.	H	α-helix	trans	-62.5	-47.5	166.2	163.5	-98.5	0	0	0	111.7	V84 I85 L86 Y90 S91 G92 R93 L94 M113 L116	V84-F88 PolarHBondContact O-N 3.03Å; I85-F88 WeakPolarHBondContact O-CB 3.49Å; I85-F88 PolarHBondContact O-N 3.2Å; L86-F88 VanDerWaalsContact C-N 3.33Å; L86-F88 PolarHBondContact O-N 3.25Å; F88-Y90 PolarHBondContact O-N 3.04Å; F88-Y90 VanDerWaalsContact O-N 3.15Å; F88-S91 PolarHBondContact O-N 3.22Å; F88-S91 VanDerWaalsContact O-N 3.1Å; F88-G92 WeakPolarHBondContact O-CA 3.31Å; F88-G92 PolarHBondContact O-N 3.37Å; F88-R93 WeakPolarHBondContact CA-O 3.26Å; F88-L94 HydrophobicContact CB-CB 4.48Å; F88-L94 HydrophobicContact CB-CD1 3.71Å; F88-L94 HydrophobicContact CD2-CB 3.86Å; F88-L94 HydrophobicContact CD2-CD1 4.29Å; F88-L94 HydrophobicContact CG-CB 4.41Å; F88-L94 HydrophobicContact CG-CD1 3.99Å; F88-M113 HydrophobicContact CD1-CE 3.97Å; F88-M113 HydrophobicContact CE1-CE 3.81Å; F88-L116 HydrophobicContact CD1-CD1 3.77Å; F88-L116 HydrophobicContact CE1-CD1 3.93Å; F88-L116 HydrophobicContact CG-CD1 4.4Å
89	L	91.4	Very high	91.2	Very high	19 Å²	19	48.8 Å²	48.8	10%	0.099	28%	0.278	C	S	.	.	H	α-helix	trans	-57.3	-31.2	178.6	-67.5	-173.9	0	0	0	113.4	V46 L47 I85 L86 M113	V46-L89 HydrophobicContact CG1-CB 4.1Å; L47-L89 HydrophobicContact CD2-CD1 4.4Å; I85-L89 WeakPolarHBondContact O-CG 3.49Å; I85-L89 PolarHBondContact O-N 3.4Å; L86-L89 HydrophobicContact CD1-CD1 4.41Å; L86-L89 WeakPolarHBondContact O-CB 3.27Å; L86-L89 PolarHBondContact O-N 3.48Å; L89-M113 HydrophobicContact CD2-CE 3.59Å; L89-M113 HydrophobicContact CG-CE 4.41Å
90	Y	91.7	Very high	91.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	0.9	-179.8	-80.1	-87.9	0	0	0	114.9	L19 N20 R23 A42 H43 V46 L86 D87 F88	L19-Y90 HydrophobicContact CB-CD1 4.22Å; L19-Y90 HydrophobicContact CB-CE1 4.13Å; L19-Y90 WeakPolarHBondContact O-CE1 3.47Å; N20-Y90 HydrophobicContact CB-CD1 4.11Å; N20-Y90 HydrophobicContact CB-CG 4.44Å; N20-Y90 WeakPolarHBondContact CB-O 3.25Å; N20-Y90 PolarHBondContact ND2-O 3.08Å; R23-Y90 HydrophobicContact CB-CD1 4.35Å; R23-Y90 HydrophobicContact CB-CE1 3.95Å; R23-Y90 VanDerWaalsContact CD-CE2 3.48Å; A42-Y90 HydrophobicContact CB-CE2 4.29Å; H43-Y90 WeakPolarHBondContact CB-OH 3.48Å; H43-Y90 PolarHBondContact N-OH 3.29Å; H43-Y90 AromaticContact ND1-CE1 3.53Å; H43-Y90 AromaticContact ND1-CZ 3.65Å; H43-Y90 PolarHBondContact ND1-OH 3.21Å; V46-Y90 HydrophobicContact CB-CE1 4.22Å; V46-Y90 HydrophobicContact CB-CE2 4.1Å; V46-Y90 HydrophobicContact CG1-CD1 4.37Å; V46-Y90 HydrophobicContact CG1-CD2 3.99Å; V46-Y90 HydrophobicContact CG1-CE1 4.07Å; V46-Y90 HydrophobicContact CG1-CE2 3.62Å; V46-Y90 HydrophobicContact CG1-CG 4.35Å; V46-Y90 HydrophobicContact CG2-CE1 3.88Å; L86-Y90 HydrophobicContact CD1-CD2 4.11Å; L86-Y90 HydrophobicContact CD1-CE2 3.84Å; L86-Y90 HydrophobicContact CG-CD2 4.39Å; L86-Y90 HydrophobicContact CG-CE2 4.45Å; L86-Y90 WeakPolarHBondContact O-CD2 3.43Å; L86-Y90 PolarHBondContact O-N 2.66Å; D87-Y90 PolarHBondContact O-N 3.49Å; F88-Y90 PolarHBondContact O-N 3.04Å; F88-Y90 VanDerWaalsContact O-N 3.15Å
91	S	88.1	Confident	91.1	Very high	31 Å²	31	46.5 Å²	46.5	22%	0.217	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138	-13.7	-178.2	72.9	0	0	0	0	115.7	D87 F88 R93	D87-S91 VanDerWaalsContact O-CB 3.25Å; D87-S91 WeakPolarHBondContact O-CB 3.32Å; D87-S91 PolarHBondContact O-N 3.48Å; D87-S91 VanDerWaalsContact O-N 3.1Å; D87-S91 PolarHBondContact O-OG 3.4Å; F88-S91 PolarHBondContact O-N 3.22Å; F88-S91 VanDerWaalsContact O-N 3.1Å; S91-R93 PolarHBondContact O-N 3.03Å; S91-R93 PolarHBondContact OG-N 3.46Å; S91-R93 PolarHBondContact OG-O 3.48Å
92	G	85.6	Confident	91	Very high	51 Å²	51	51.9 Å²	51.9	53%	0.526	29%	0.293	S	S	.	.	S	Bend	trans	67	9.1	-170.7	0	0	0	0	0	114.3	F88	F88-G92 WeakPolarHBondContact O-CA 3.31Å; F88-G92 PolarHBondContact O-N 3.37Å
93	R	86.3	Confident	90.9	Very high	191 Å²	191	56 Å²	56	72%	0.721	31%	0.312	S	S	*	.			trans	-120.1	129.3	-177.7	-61.6	-170.3	-60.4	-91.6	2.3	110.9	F88 S91	F88-R93 WeakPolarHBondContact CA-O 3.26Å; S91-R93 PolarHBondContact O-N 3.03Å; S91-R93 PolarHBondContact OG-N 3.46Å; S91-R93 PolarHBondContact OG-O 3.48Å
94	L	91.1	Very high	90.9	Very high	37 Å²	37	54.3 Å²	54.3	19%	0.194	30%	0.3	C	S	.	.			trans	-108.8	130.3	-179.5	-168.2	71	0	0	0	110.1	V84 F88 L96 V104 L116 F119	V84-L94 HydrophobicContact CG1-CD1 3.95Å; F88-L94 HydrophobicContact CB-CB 4.48Å; F88-L94 HydrophobicContact CB-CD1 3.71Å; F88-L94 HydrophobicContact CD2-CB 3.86Å; F88-L94 HydrophobicContact CD2-CD1 4.29Å; F88-L94 HydrophobicContact CG-CB 4.41Å; F88-L94 HydrophobicContact CG-CD1 3.99Å; L94-L96 HydrophobicContact CD2-CD1 3.77Å; L94-L96 HydrophobicContact CD2-CD2 3.8Å; L94-L96 HydrophobicContact CD2-CG 3.66Å; L94-L96 HydrophobicContact CG-CD2 3.97Å; L94-L96 HydrophobicContact CG-CG 3.91Å; L94-V104 HydrophobicContact CD1-CG1 4.24Å; L94-L116 HydrophobicContact CD1-CD1 4.02Å; L94-L116 HydrophobicContact CD1-CD2 4.27Å; L94-L116 HydrophobicContact CD1-CG 4.3Å; L94-L116 HydrophobicContact CD2-CD1 4.46Å; L94-L116 HydrophobicContact CD2-CD2 3.61Å; L94-L116 HydrophobicContact CD2-CG 3.84Å; L94-F119 HydrophobicContact CD2-CD1 3.8Å; L94-F119 HydrophobicContact CD2-CE1 4.06Å
95	A	88.5	Confident	90.9	Very high	60 Å²	60	54.9 Å²	54.9	50%	0.496	30%	0.301	S	S	.	.			trans	-99.2	87.8	179.8	0	0	0	0	0	110.8	N100	A95-N100 PolarHBondContact O-ND2 3.44Å
96	L	90.8	Very high	90.9	Very high	18 Å²	18	58.3 Å²	58.3	9%	0.094	33%	0.326	C	S	.	.			trans	-100	128.3	177.8	-63.1	-173.5	0	0	0	112.6	L94 V101 V104 F119 Y123	L94-L96 HydrophobicContact CD2-CD1 3.77Å; L94-L96 HydrophobicContact CD2-CD2 3.8Å; L94-L96 HydrophobicContact CD2-CG 3.66Å; L94-L96 HydrophobicContact CG-CD2 3.97Å; L94-L96 HydrophobicContact CG-CG 3.91Å; L96-V101 HydrophobicContact CD1-CG2 4.02Å; L96-V101 HydrophobicContact CD2-CB 4.46Å; L96-V101 HydrophobicContact CD2-CG2 4.33Å; L96-V104 HydrophobicContact CD2-CB 4Å; L96-V104 HydrophobicContact CD2-CG1 3.74Å; L96-V104 HydrophobicContact CD2-CG2 4.39Å; L96-F119 HydrophobicContact CD1-CD1 3.75Å; L96-F119 HydrophobicContact CD1-CE1 3.7Å; L96-F119 HydrophobicContact CG-CE1 4.44Å; L96-Y123 HydrophobicContact CB-CD2 4.08Å; L96-Y123 HydrophobicContact CB-CE1 4.49Å; L96-Y123 HydrophobicContact CB-CE2 3.87Å; L96-Y123 HydrophobicContact CB-CG 4.47Å; L96-Y123 HydrophobicContact CD1-CD2 4.28Å; L96-Y123 HydrophobicContact CD1-CG 4.19Å; L96-Y123 PolarHBondContact O-OH 2.94Å
97	N	88.9	Confident	91	Very high	96 Å²	96	58.5 Å²	58.5	51%	0.513	33%	0.327	S	S	.	.			trans	-123.6	161.6	174.3	-62.4	16.3	0	0	0	108.6	N99 N100 V101 Y123	N97-N99 PolarHBondContact O-N 2.75Å; N97-N100 PolarHBondContact N-OD1 3.24Å; N97-N100 PolarHBondContact O-N 2.88Å; N97-N100 PolarHBondContact O-OD1 2.96Å; N97-N100 VanDerWaalsContact O-OD1 3.06Å; N97-V101 WeakPolarHBondContact O-CB 3.35Å; N97-V101 PolarHBondContact O-N 3.34Å; N97-V101 VanDerWaalsContact O-N 3.11Å; N97-Y123 VanDerWaalsContact CA-OH 3.26Å; N97-Y123 WeakPolarHBondContact CA-OH 3.5Å
98	S	86.5	Confident	91.2	Very high	91 Å²	91	55.2 Å²	55.2	64%	0.636	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-31.4	172.8	50.2	0	0	0	0	114.2
99	N	88.8	Confident	91.3	Very high	139 Å²	139	56 Å²	56	74%	0.743	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-27.4	-170.8	-57.8	12	0	0	0	113.1	N97	N97-N99 PolarHBondContact O-N 2.75Å
100	N	92.5	Very high	91.5	Very high	37 Å²	37	58.6 Å²	58.6	20%	0.198	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-13.6	-176	74.6	-14.1	0	0	0	113.8	A95 N97 I102 E103 V104	A95-N100 PolarHBondContact O-ND2 3.44Å; N97-N100 PolarHBondContact N-OD1 3.24Å; N97-N100 PolarHBondContact O-N 2.88Å; N97-N100 PolarHBondContact O-OD1 2.96Å; N97-N100 VanDerWaalsContact O-OD1 3.06Å; N100-I102 VanDerWaalsContact C-N 3.25Å; N100-I102 PolarHBondContact O-N 3.38Å; N100-E103 PolarHBondContact O-N 2.86Å; N100-E103 VanDerWaalsContact O-N 3.17Å; N100-V104 HydrophobicContact CB-CG2 4.42Å; N100-V104 WeakPolarHBondContact O-CG2 3.03Å; N100-V104 PolarHBondContact O-N 2.96Å
101	V	92.3	Very high	91.6	Very high	6 Å²	6	58.6 Å²	58.6	4%	0.036	33%	0.331	C	S	.	.	H	α-helix	trans	-59.7	-32.6	-173.7	63.1	0	0	0	0	113.6	L96 N97 M105 C120 Y123 I124	L96-V101 HydrophobicContact CD1-CG2 4.02Å; L96-V101 HydrophobicContact CD2-CB 4.46Å; L96-V101 HydrophobicContact CD2-CG2 4.33Å; N97-V101 WeakPolarHBondContact O-CB 3.35Å; N97-V101 PolarHBondContact O-N 3.34Å; N97-V101 VanDerWaalsContact O-N 3.11Å; V101-M105 WeakPolarHBondContact O-CB 3.43Å; V101-M105 PolarHBondContact O-N 3.22Å; V101-C120 HydrophobicContact CG2-CB 4.01Å; V101-Y123 HydrophobicContact CB-CD1 4.21Å; V101-Y123 HydrophobicContact CB-CE1 4.24Å; V101-Y123 HydrophobicContact CG1-CD1 4.28Å; V101-Y123 HydrophobicContact CG1-CE1 4.21Å; V101-Y123 HydrophobicContact CG2-CD1 3.85Å; V101-Y123 HydrophobicContact CG2-CE1 4.38Å; V101-Y123 HydrophobicContact CG2-CG 4.49Å; V101-I124 HydrophobicContact CG1-CD1 4.37Å; V101-I124 HydrophobicContact CG1-CG1 4.03Å; V101-I124 HydrophobicContact CG2-CD1 4.11Å; V101-I124 HydrophobicContact CG2-CG1 3.98Å
102	I	91.9	Very high	91.9	Very high	116 Å²	116	62.5 Å²	62.5	60%	0.595	35%	0.346	S	S	*	.	H	α-helix	trans	-71.1	-43.6	178.6	-56.9	179.5	0	0	0	111	N100 M105 S106	N100-I102 VanDerWaalsContact C-N 3.25Å; N100-I102 PolarHBondContact O-N 3.38Å; I102-M105 PolarHBondContact O-N 3.1Å; I102-S106 PolarHBondContact O-N 2.81Å; I102-S106 PolarHBondContact O-OG 2.93Å
103	E	93.6	Very high	92.3	Very high	88 Å²	88	60.7 Å²	60.7	41%	0.411	32%	0.324	S	S	.	.	H	α-helix	trans	-68.7	-41.8	177.2	-64.9	-177.6	-146.5	0	0	112.1	T78 A81 N100 M105 S106 A107	T78-E103 PolarHBondContact OG1-OE2 3.46Å; A81-E103 HydrophobicContact CB-CB 4.01Å; N100-E103 PolarHBondContact O-N 2.86Å; N100-E103 VanDerWaalsContact O-N 3.17Å; E103-M105 VanDerWaalsContact C-N 3.29Å; E103-M105 PolarHBondContact O-N 2.81Å; E103-S106 PolarHBondContact O-N 2.83Å; E103-S106 PolarHBondContact O-OG 2.86Å; E103-A107 WeakPolarHBondContact O-CB 3.48Å; E103-A107 PolarHBondContact O-N 3.24Å
104	V	94.6	Very high	92.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.8	-36.5	175	174.9	0	0	0	0	110.6	A81 V84 I85 L94 L96 N100 A108 L116	A81-V104 HydrophobicContact CB-CG2 4.23Å; V84-V104 HydrophobicContact CB-CG2 4.14Å; V84-V104 HydrophobicContact CG1-CG1 4.44Å; V84-V104 HydrophobicContact CG1-CG2 4Å; I85-V104 HydrophobicContact CD1-CG1 4.48Å; I85-V104 HydrophobicContact CG1-CG1 4.09Å; L94-V104 HydrophobicContact CD1-CG1 4.24Å; L96-V104 HydrophobicContact CD2-CB 4Å; L96-V104 HydrophobicContact CD2-CG1 3.74Å; L96-V104 HydrophobicContact CD2-CG2 4.39Å; N100-V104 HydrophobicContact CB-CG2 4.42Å; N100-V104 WeakPolarHBondContact O-CG2 3.03Å; N100-V104 PolarHBondContact O-N 2.96Å; V104-A108 WeakPolarHBondContact O-CB 3.34Å; V104-A108 PolarHBondContact O-N 3.44Å; V104-L116 HydrophobicContact CG1-CD2 3.97Å
105	M	94.5	Very high	92.7	Very high	45 Å²	45	60.6 Å²	60.6	22%	0.222	34%	0.337	C	S	.	.	H	α-helix	trans	-69.1	-41.4	175.1	-173.6	174.5	61.9	0	0	112.8	V101 I102 E103 S109 V117 C120 K121 I124	V101-M105 WeakPolarHBondContact O-CB 3.43Å; V101-M105 PolarHBondContact O-N 3.22Å; I102-M105 PolarHBondContact O-N 3.1Å; E103-M105 VanDerWaalsContact C-N 3.29Å; E103-M105 PolarHBondContact O-N 2.81Å; M105-S109 WeakPolarHBondContact O-CB 3.49Å; M105-S109 PolarHBondContact O-N 3.37Å; M105-V117 HydrophobicContact CG-CG1 4.27Å; M105-C120 HydrophobicContact CB-CB 3.69Å; M105-C120 HydrophobicContact CG-CB 3.74Å; M105-C120 HydrophobicContact SD-CB 3.86Å; M105-K121 HydrophobicContact SD-CG 4.1Å; M105-I124 HydrophobicContact CE-CD1 3.85Å; M105-I124 HydrophobicContact SD-CD1 4.08Å
106	S	95.1	Very high	93	Very high	73 Å²	73	58.2 Å²	58.2	51%	0.51	32%	0.316	S	S	.	.	H	α-helix	trans	-68.8	-42.9	177.3	64.1	0	0	0	0	111.4	I102 E103 S109 Y110	I102-S106 PolarHBondContact O-N 2.81Å; I102-S106 PolarHBondContact O-OG 2.93Å; E103-S106 PolarHBondContact O-N 2.83Å; E103-S106 PolarHBondContact O-OG 2.86Å; S106-S109 WeakPolarHBondContact O-CB 3.17Å; S106-S109 PolarHBondContact O-N 3.19Å; S106-Y110 PolarHBondContact O-N 3.33Å
107	A	95.4	Very high	93.1	Very high	3 Å²	3	58.1 Å²	58.1	3%	0.025	32%	0.316	C	S	.	.	H	α-helix	trans	-60.8	-44.2	173.4	0	0	0	0	0	112.2	V77 A81 I85 E103 S109 Y110 L111	V77-A107 HydrophobicContact CG1-CB 3.63Å; V77-A107 HydrophobicContact CG2-CB 4.44Å; A81-A107 HydrophobicContact CB-CB 4.05Å; I85-A107 HydrophobicContact CD1-CB 3.54Å; E103-A107 WeakPolarHBondContact O-CB 3.48Å; E103-A107 PolarHBondContact O-N 3.24Å; A107-S109 VanDerWaalsContact C-N 3.31Å; A107-S109 PolarHBondContact O-N 3Å; A107-Y110 PolarHBondContact O-N 2.95Å; A107-L111 WeakPolarHBondContact O-CB 3.31Å; A107-L111 WeakPolarHBondContact O-CG 3.48Å; A107-L111 PolarHBondContact O-N 3.08Å
108	A	94.9	Very high	93.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.8	-31.8	175.8	0	0	0	0	0	112.7	I85 V104 L111 Q112 M113 L116 V117	I85-A108 HydrophobicContact CD1-CB 4.06Å; V104-A108 WeakPolarHBondContact O-CB 3.34Å; V104-A108 PolarHBondContact O-N 3.44Å; A108-L111 CarbonylContact O-C 3.53Å; A108-Q112 PolarHBondContact O-N 3.46Å; A108-Q112 VanDerWaalsContact O-N 3.1Å; A108-M113 HydrophobicContact CB-CB 4.23Å; A108-M113 PolarHBondContact O-N 3.01Å; A108-L116 HydrophobicContact CB-CB 4.24Å; A108-L116 HydrophobicContact CB-CD1 4.3Å; A108-L116 HydrophobicContact CB-CD2 3.69Å; A108-L116 HydrophobicContact CB-CG 4.28Å; A108-V117 HydrophobicContact CB-CG2 3.74Å
109	S	95.6	Very high	93.7	Very high	76 Å²	76	57.1 Å²	57.1	53%	0.531	30%	0.299	S	S	.	.	H	α-helix	trans	-66.8	-46.8	173	-167.2	0	0	0	0	111.2	M105 S106 A107 L111 Q112	M105-S109 WeakPolarHBondContact O-CB 3.49Å; M105-S109 PolarHBondContact O-N 3.37Å; S106-S109 WeakPolarHBondContact O-CB 3.17Å; S106-S109 PolarHBondContact O-N 3.19Å; A107-S109 VanDerWaalsContact C-N 3.31Å; A107-S109 PolarHBondContact O-N 3Å; S109-L111 VanDerWaalsContact C-N 3.33Å; S109-L111 PolarHBondContact O-N 2.94Å; S109-Q112 PolarHBondContact O-N 2.9Å
110	Y	94.3	Very high	93.8	Very high	73 Å²	73	50.5 Å²	50.5	29%	0.286	26%	0.263	S	S	.	.	H	α-helix	trans	-58.5	-44.3	173.5	-177.7	-90.7	0	0	0	111.8	Y53 L74 I76 V77 S106 A107 Q112	Y53-Y110 HydrophobicContact CD2-CD1 4.46Å; Y53-Y110 AromaticContact CD2-CE1 3.97Å; Y53-Y110 HydrophobicContact CD2-CE1 3.97Å; Y53-Y110 HydrophobicContact CE1-CE1 4.22Å; Y53-Y110 HydrophobicContact CE2-CD1 4.43Å; Y53-Y110 AromaticContact CE2-CE1 3.52Å; Y53-Y110 HydrophobicContact CE2-CE1 3.52Å; Y53-Y110 AromaticContact CE2-CZ 3.63Å; Y53-Y110 WeakPolarHBondContact CE2-OH 3.12Å; Y53-Y110 HydrophobicContact CG-CE1 4.48Å; Y53-Y110 AromaticContact CZ-CE1 3.67Å; Y53-Y110 AromaticContact CZ-CZ 3.99Å; Y53-Y110 PolarHBondContact OH-OH 2.95Å; L74-Y110 HydrophobicContact CD2-CE1 3.96Å; I76-Y110 HydrophobicContact CB-CD2 4.42Å; I76-Y110 HydrophobicContact CB-CE2 4.28Å; I76-Y110 HydrophobicContact CD1-CE2 3.98Å; I76-Y110 HydrophobicContact CG2-CD2 4.42Å; V77-Y110 HydrophobicContact CG2-CD1 3.7Å; V77-Y110 HydrophobicContact CG2-CE1 4.33Å; V77-Y110 HydrophobicContact CG2-CG 4.11Å; S106-Y110 PolarHBondContact O-N 3.33Å; A107-Y110 PolarHBondContact O-N 2.95Å; Y110-Q112 PolarHBondContact O-N 3.37Å
111	L	94.3	Very high	93.8	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	3.9	177.5	-65.7	174.7	0	0	0	114.2	S51 G52 Y53 F54 L74 F82 I85 A107 A108 S109 M113	S51-L111 WeakPolarHBondContact CB-O 3.38Å; S51-L111 PolarHBondContact OG-O 3.07Å; G52-L111 PolarHBondContact N-O 2.9Å; Y53-L111 HydrophobicContact CD1-CD2 3.72Å; Y53-L111 HydrophobicContact CE1-CD2 4.37Å; Y53-L111 HydrophobicContact CG-CD2 4.17Å; Y53-L111 PolarHBondContact N-O 3.36Å; F54-L111 HydrophobicContact CD2-CD2 4.18Å; F54-L111 HydrophobicContact CE2-CD1 4.41Å; F54-L111 HydrophobicContact CE2-CD2 3.66Å; F54-L111 HydrophobicContact CZ-CD2 3.93Å; L74-L111 HydrophobicContact CD1-CD2 4.3Å; L74-L111 HydrophobicContact CD2-CD2 4.17Å; F82-L111 HydrophobicContact CD2-CD1 3.98Å; F82-L111 HydrophobicContact CE2-CD1 3.93Å; I85-L111 HydrophobicContact CD1-CD1 4.14Å; I85-L111 HydrophobicContact CG2-CD1 4.01Å; A107-L111 WeakPolarHBondContact O-CB 3.31Å; A107-L111 WeakPolarHBondContact O-CG 3.48Å; A107-L111 PolarHBondContact O-N 3.08Å; A108-L111 CarbonylContact O-C 3.53Å; S109-L111 VanDerWaalsContact C-N 3.33Å; S109-L111 PolarHBondContact O-N 2.94Å; L111-M113 HydrophobicContact CB-CG 4.16Å; L111-M113 HydrophobicContact CB-SD 4.18Å; L111-M113 PolarHBondContact O-N 2.89Å
112	Q	94.8	Very high	93.7	Very high	112 Å²	112	58.7 Å²	58.7	52%	0.523	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	44.1	178.3	-53.3	176.4	0.4	0	0	113.5	A108 S109 Y110	A108-Q112 PolarHBondContact O-N 3.46Å; A108-Q112 VanDerWaalsContact O-N 3.1Å; S109-Q112 PolarHBondContact O-N 2.9Å; Y110-Q112 PolarHBondContact O-N 3.37Å
113	M	94.4	Very high	93.6	Very high	14 Å²	14	56.4 Å²	56.4	7%	0.069	28%	0.283	C	S	.	.			trans	-101.7	75.4	179.5	-63.3	180	67.3	0	0	110.4	G50 I85 F88 L89 A108 L111 E115 L116 V117	G50-M113 WeakPolarHBondContact O-CE 3.44Å; I85-M113 HydrophobicContact CG2-CE 4.07Å; I85-M113 HydrophobicContact CG2-SD 3.53Å; I85-M113 VanDerWaalsContact CG2-SD 3.53Å; F88-M113 HydrophobicContact CD1-CE 3.97Å; F88-M113 HydrophobicContact CE1-CE 3.81Å; L89-M113 HydrophobicContact CD2-CE 3.59Å; L89-M113 HydrophobicContact CG-CE 4.41Å; A108-M113 HydrophobicContact CB-CB 4.23Å; A108-M113 PolarHBondContact O-N 3.01Å; L111-M113 HydrophobicContact CB-CG 4.16Å; L111-M113 HydrophobicContact CB-SD 4.18Å; L111-M113 PolarHBondContact O-N 2.89Å; M113-E115 VanDerWaalsContact C-N 3.34Å; M113-E115 PolarHBondContact O-N 2.93Å; M113-L116 HydrophobicContact CB-CB 4.03Å; M113-L116 HydrophobicContact CE-CB 4.48Å; M113-L116 HydrophobicContact CE-CD1 3.53Å; M113-L116 PolarHBondContact O-N 3.45Å; M113-L116 VanDerWaalsContact O-N 3.13Å; M113-L116 HydrophobicContact SD-CD1 4.25Å; M113-V117 WeakPolarHBondContact O-CG2 3.47Å; M113-V117 PolarHBondContact O-N 3.39Å
114	T	93.2	Very high	93.5	Very high	89 Å²	89	54.3 Å²	54.3	55%	0.546	27%	0.274	S	S	.	.	H	α-helix	trans	-52.9	-45.1	-170.8	53	0	0	0	0	113.9	L116 V117 N118	T114-L116 VanDerWaalsContact C-N 3.35Å; T114-L116 PolarHBondContact O-N 2.97Å; T114-V117 PolarHBondContact O-N 2.95Å; T114-N118 WeakPolarHBondContact O-CB 3.4Å; T114-N118 VanDerWaalsContact O-CG 3.24Å; T114-N118 PolarHBondContact O-N 2.93Å; T114-N118 PolarHBondContact O-ND2 3.45Å
115	E	92.6	Very high	93.1	Very high	137 Å²	137	60.7 Å²	60.7	64%	0.64	30%	0.304	S	S	*	.	H	α-helix	trans	-68.3	-36.4	-176.7	-50.8	-44.1	104.7	0	0	111.7	M113 N118 F119	M113-E115 VanDerWaalsContact C-N 3.34Å; M113-E115 PolarHBondContact O-N 2.93Å; E115-N118 PolarHBondContact O-N 3.38Å; E115-F119 WeakPolarHBondContact O-CB 3.4Å; E115-F119 PolarHBondContact O-N 3.36Å
116	L	93.4	Very high	92.7	Very high	9 Å²	9	61.5 Å²	61.5	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-69.1	-43	176.2	-158.9	170.2	0	0	0	110.2	I85 F88 L94 V104 A108 M113 T114 N118 F119 C120	I85-L116 HydrophobicContact CG1-CD1 4.31Å; F88-L116 HydrophobicContact CD1-CD1 3.77Å; F88-L116 HydrophobicContact CE1-CD1 3.93Å; F88-L116 HydrophobicContact CG-CD1 4.4Å; L94-L116 HydrophobicContact CD1-CD1 4.02Å; L94-L116 HydrophobicContact CD1-CD2 4.27Å; L94-L116 HydrophobicContact CD1-CG 4.3Å; L94-L116 HydrophobicContact CD2-CD1 4.46Å; L94-L116 HydrophobicContact CD2-CD2 3.61Å; L94-L116 HydrophobicContact CD2-CG 3.84Å; V104-L116 HydrophobicContact CG1-CD2 3.97Å; A108-L116 HydrophobicContact CB-CB 4.24Å; A108-L116 HydrophobicContact CB-CD1 4.3Å; A108-L116 HydrophobicContact CB-CD2 3.69Å; A108-L116 HydrophobicContact CB-CG 4.28Å; M113-L116 HydrophobicContact CB-CB 4.03Å; M113-L116 HydrophobicContact CE-CB 4.48Å; M113-L116 HydrophobicContact CE-CD1 3.53Å; M113-L116 PolarHBondContact O-N 3.45Å; M113-L116 VanDerWaalsContact O-N 3.13Å; M113-L116 HydrophobicContact SD-CD1 4.25Å; T114-L116 VanDerWaalsContact C-N 3.35Å; T114-L116 PolarHBondContact O-N 2.97Å; L116-N118 VanDerWaalsContact C-N 3.32Å; L116-N118 PolarHBondContact O-N 3.32Å; L116-F119 PolarHBondContact O-N 3.34Å; L116-C120 PolarHBondContact O-N 3.43Å; L116-C120 PolarHBondContact O-SG 3.08Å; L116-C120 VanDerWaalsContact O-SG 3.32Å
117	V	94.1	Very high	92.1	Very high	17 Å²	17	60.5 Å²	60.5	10%	0.103	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-40.2	173.5	171.4	0	0	0	0	111.7	M105 A108 M113 T114 C120 K121	M105-V117 HydrophobicContact CG-CG1 4.27Å; A108-V117 HydrophobicContact CB-CG2 3.74Å; M113-V117 WeakPolarHBondContact O-CG2 3.47Å; M113-V117 PolarHBondContact O-N 3.39Å; T114-V117 PolarHBondContact O-N 2.95Å; V117-C120 PolarHBondContact O-N 2.99Å; V117-K121 WeakPolarHBondContact O-CG 3.39Å; V117-K121 PolarHBondContact O-N 3.14Å; V117-K121 VanDerWaalsContact O-N 3.14Å
118	N	93.1	Very high	91.1	Very high	64 Å²	64	65 Å²	65	34%	0.342	33%	0.33	S	S	.	.	H	α-helix	trans	-68.6	-43.6	177.3	-69.4	-22.1	0	0	0	111.7	T114 E115 L116 C120 K121 E122	T114-N118 WeakPolarHBondContact O-CB 3.4Å; T114-N118 VanDerWaalsContact O-CG 3.24Å; T114-N118 PolarHBondContact O-N 2.93Å; T114-N118 PolarHBondContact O-ND2 3.45Å; E115-N118 PolarHBondContact O-N 3.38Å; L116-N118 VanDerWaalsContact C-N 3.32Å; L116-N118 PolarHBondContact O-N 3.32Å; N118-C120 VanDerWaalsContact C-N 3.31Å; N118-C120 PolarHBondContact O-N 3.16Å; N118-K121 WeakPolarHBondContact O-CB 3.41Å; N118-K121 PolarHBondContact O-N 2.98Å; N118-K121 VanDerWaalsContact O-N 3.08Å; N118-K121 PolarHBondContact OD1-NZ 3.11Å; N118-E122 PolarHBondContact O-N 2.82Å
119	F	93.5	Very high	90.2	Very high	101 Å²	101	69.8 Å²	69.8	44%	0.443	35%	0.352	S	S	.	.	H	α-helix	trans	-59.1	-39	173	-177.3	-101.6	0	0	0	112.7	L94 L96 E115 L116 E122 Y123	L94-F119 HydrophobicContact CD2-CD1 3.8Å; L94-F119 HydrophobicContact CD2-CE1 4.06Å; L96-F119 HydrophobicContact CD1-CD1 3.75Å; L96-F119 HydrophobicContact CD1-CE1 3.7Å; L96-F119 HydrophobicContact CG-CE1 4.44Å; E115-F119 WeakPolarHBondContact O-CB 3.4Å; E115-F119 PolarHBondContact O-N 3.36Å; L116-F119 PolarHBondContact O-N 3.34Å; F119-E122 PolarHBondContact O-N 2.93Å; F119-Y123 WeakPolarHBondContact O-CB 3.37Å; F119-Y123 PolarHBondContact O-N 3.02Å
120	C	92.3	Very high	89.3	Confident	0 Å²	0	71 Å²	71	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-62.5	-39.9	172.7	-71.1	0	0	0	0	112.8	V101 M105 L116 V117 N118 Y123 I124	V101-C120 HydrophobicContact CG2-CB 4.01Å; M105-C120 HydrophobicContact CB-CB 3.69Å; M105-C120 HydrophobicContact CG-CB 3.74Å; M105-C120 HydrophobicContact SD-CB 3.86Å; L116-C120 PolarHBondContact O-N 3.43Å; L116-C120 PolarHBondContact O-SG 3.08Å; L116-C120 VanDerWaalsContact O-SG 3.32Å; V117-C120 PolarHBondContact O-N 2.99Å; N118-C120 VanDerWaalsContact C-N 3.31Å; N118-C120 PolarHBondContact O-N 3.16Å; C120-Y123 PolarHBondContact O-N 3.01Å; C120-I124 WeakPolarHBondContact O-CD1 3.43Å; C120-I124 VanDerWaalsContact O-CG1 3.27Å; C120-I124 WeakPolarHBondContact O-CG1 3.49Å; C120-I124 PolarHBondContact O-N 3.39Å
121	K	91.6	Very high	88.2	Confident	91 Å²	91	71.3 Å²	71.3	40%	0.396	36%	0.364	S	S	.	.	H	α-helix	trans	-62.8	-46.7	174.2	-64.8	165.5	-166.2	157.9	0	111	M105 V117 N118 Y123 I124 H125	M105-K121 HydrophobicContact SD-CG 4.1Å; V117-K121 WeakPolarHBondContact O-CG 3.39Å; V117-K121 PolarHBondContact O-N 3.14Å; V117-K121 VanDerWaalsContact O-N 3.14Å; N118-K121 WeakPolarHBondContact O-CB 3.41Å; N118-K121 PolarHBondContact O-N 2.98Å; N118-K121 VanDerWaalsContact O-N 3.08Å; N118-K121 PolarHBondContact OD1-NZ 3.11Å; K121-Y123 VanDerWaalsContact C-N 3.34Å; K121-Y123 PolarHBondContact O-N 3.19Å; K121-I124 PolarHBondContact O-N 2.95Å; K121-H125 PolarHBondContact O-CD2 3.06Å; K121-H125 PolarHBondContact O-N 3.46Å
122	E	90.4	Very high	87.3	Confident	124 Å²	124	75.9 Å²	75.9	58%	0.579	39%	0.388	S	S	*	.	H	α-helix	trans	-59.8	-43.8	178.1	-71.6	179.5	179.5	0	0	111.8	N118 F119 I124 H125 S126	N118-E122 PolarHBondContact O-N 2.82Å; F119-E122 PolarHBondContact O-N 2.93Å; E122-I124 PolarHBondContact O-N 3.35Å; E122-H125 PolarHBondContact O-N 2.87Å; E122-S126 WeakPolarHBondContact O-CB 3.42Å; E122-S126 PolarHBondContact O-N 3.11Å; E122-S126 PolarHBondContact O-OG 3.34Å
123	Y	90.7	Very high	86.5	Confident	68 Å²	68	75.7 Å²	75.7	27%	0.267	39%	0.386	S	S	.	.	H	α-helix	trans	-58.2	-46.1	173.8	-178.7	-82.1	0	0	0	112.3	L96 N97 V101 F119 C120 K121 S127	L96-Y123 HydrophobicContact CB-CD2 4.08Å; L96-Y123 HydrophobicContact CB-CE1 4.49Å; L96-Y123 HydrophobicContact CB-CE2 3.87Å; L96-Y123 HydrophobicContact CB-CG 4.47Å; L96-Y123 HydrophobicContact CD1-CD2 4.28Å; L96-Y123 HydrophobicContact CD1-CG 4.19Å; L96-Y123 PolarHBondContact O-OH 2.94Å; N97-Y123 VanDerWaalsContact CA-OH 3.26Å; N97-Y123 WeakPolarHBondContact CA-OH 3.5Å; V101-Y123 HydrophobicContact CB-CD1 4.21Å; V101-Y123 HydrophobicContact CB-CE1 4.24Å; V101-Y123 HydrophobicContact CG1-CD1 4.28Å; V101-Y123 HydrophobicContact CG1-CE1 4.21Å; V101-Y123 HydrophobicContact CG2-CD1 3.85Å; V101-Y123 HydrophobicContact CG2-CE1 4.38Å; V101-Y123 HydrophobicContact CG2-CG 4.49Å; F119-Y123 WeakPolarHBondContact O-CB 3.37Å; F119-Y123 PolarHBondContact O-N 3.02Å; C120-Y123 PolarHBondContact O-N 3.01Å; K121-Y123 VanDerWaalsContact C-N 3.34Å; K121-Y123 PolarHBondContact O-N 3.19Å; Y123-S127 VanDerWaalsContact O-CB 3.31Å; Y123-S127 WeakPolarHBondContact O-CB 3.45Å; Y123-S127 PolarHBondContact O-N 3.06Å; Y123-S127 PolarHBondContact O-OG 2.9Å
124	I	90.1	Very high	85.5	Confident	45 Å²	45	77.9 Å²	77.9	23%	0.231	40%	0.398	C	S	.	.	H	α-helix	trans	-64	-47.9	177.6	-69.2	164.5	0	0	0	110.6	V101 M105 C120 K121 E122 S126 S127 L128	V101-I124 HydrophobicContact CG1-CD1 4.37Å; V101-I124 HydrophobicContact CG1-CG1 4.03Å; V101-I124 HydrophobicContact CG2-CD1 4.11Å; V101-I124 HydrophobicContact CG2-CG1 3.98Å; M105-I124 HydrophobicContact CE-CD1 3.85Å; M105-I124 HydrophobicContact SD-CD1 4.08Å; C120-I124 WeakPolarHBondContact O-CD1 3.43Å; C120-I124 VanDerWaalsContact O-CG1 3.27Å; C120-I124 WeakPolarHBondContact O-CG1 3.49Å; C120-I124 PolarHBondContact O-N 3.39Å; K121-I124 PolarHBondContact O-N 2.95Å; E122-I124 PolarHBondContact O-N 3.35Å; I124-S126 PolarHBondContact O-N 3.21Å; I124-S127 PolarHBondContact O-N 3.32Å; I124-L128 HydrophobicContact CG2-CD1 3.89Å; I124-L128 HydrophobicContact CG2-CG 4.45Å; I124-L128 WeakPolarHBondContact O-CB 3.31Å; I124-L128 VanDerWaalsContact O-CG 3.31Å; I124-L128 WeakPolarHBondContact O-CG 3.37Å; I124-L128 PolarHBondContact O-N 3.43Å
125	H	86.3	Confident	84.8	Confident	133 Å²	133	80.6 Å²	80.6	62%	0.616	40%	0.402	S	S	*	.	H	α-helix	trans	-60.2	-44.2	178.3	-80.8	-66.5	0	0	0	112.1	K121 E122 L128 E129	K121-H125 PolarHBondContact O-CD2 3.06Å; K121-H125 PolarHBondContact O-N 3.46Å; E122-H125 PolarHBondContact O-N 2.87Å; H125-L128 PolarHBondContact O-N 3.1Å; H125-E129 WeakPolarHBondContact O-CB 3.3Å; H125-E129 PolarHBondContact O-N 3.34Å
126	S	87.4	Confident	84.2	Confident	62 Å²	62	79 Å²	79	43%	0.434	39%	0.394	S	S	.	.	H	α-helix	trans	-65	-41.4	178.6	-54.7	0	0	0	0	111.7	E122 I124 E129 I130	E122-S126 WeakPolarHBondContact O-CB 3.42Å; E122-S126 PolarHBondContact O-N 3.11Å; E122-S126 PolarHBondContact O-OG 3.34Å; I124-S126 PolarHBondContact O-N 3.21Å; S126-E129 PolarHBondContact O-N 3.45Å; S126-I130 VanDerWaalsContact O-CG1 3.32Å; S126-I130 WeakPolarHBondContact O-CG1 3.4Å; S126-I130 PolarHBondContact O-N 2.94Å
127	S	80.8	Confident	83.4	Confident	52 Å²	52	85.5 Å²	85.5	36%	0.364	42%	0.418	S	S	.	.	H	α-helix	trans	-64.2	-40.7	176.7	-59.4	0	0	0	0	112.1	Y123 I124 C131	Y123-S127 VanDerWaalsContact O-CB 3.31Å; Y123-S127 WeakPolarHBondContact O-CB 3.45Å; Y123-S127 PolarHBondContact O-N 3.06Å; Y123-S127 PolarHBondContact O-OG 2.9Å; I124-S127 PolarHBondContact O-N 3.32Å; S127-C131 WeakPolarHBondContact O-CB 3.33Å; S127-C131 PolarHBondContact O-N 2.63Å
128	L	74.8	Confident	82.4	Confident	97 Å²	97	88.9 Å²	88.9	51%	0.508	44%	0.436	S	S	.	.	H	α-helix	trans	-68.3	-36.7	174.8	-70.3	171.8	0	0	0	112.2	I124 H125 C131 N132	I124-L128 HydrophobicContact CG2-CD1 3.89Å; I124-L128 HydrophobicContact CG2-CG 4.45Å; I124-L128 WeakPolarHBondContact O-CB 3.31Å; I124-L128 VanDerWaalsContact O-CG 3.31Å; I124-L128 WeakPolarHBondContact O-CG 3.37Å; I124-L128 PolarHBondContact O-N 3.43Å; H125-L128 PolarHBondContact O-N 3.1Å; L128-C131 PolarHBondContact O-N 2.95Å; L128-N132 WeakPolarHBondContact O-CB 3.39Å; L128-N132 PolarHBondContact O-N 3.01Å; L128-N132 PolarHBondContact O-ND2 2.85Å
129	E	76.9	Confident	81.6	Confident	102 Å²	102	88.7 Å²	88.7	48%	0.477	44%	0.437	S	S	.	.	H	α-helix	trans	-65.4	-41.1	176.1	-161.6	-167.6	155.1	0	0	111.8	H125 S126 N132 K133	H125-E129 WeakPolarHBondContact O-CB 3.3Å; H125-E129 PolarHBondContact O-N 3.34Å; S126-E129 PolarHBondContact O-N 3.45Å; E129-N132 PolarHBondContact O-N 3.45Å; E129-K133 HydrophobicContact CG-CD 4.33Å; E129-K133 WeakPolarHBondContact O-CB 3.3Å; E129-K133 WeakPolarHBondContact O-CG 3.49Å; E129-K133 PolarHBondContact O-N 3.13Å; E129-K133 VanDerWaalsContact OE1-CE 3.23Å; E129-K133 WeakPolarHBondContact OE1-CE 3.49Å; E129-K133 IonicContact OE1-NZ 2.7Å; E129-K133 PolarHBondContact OE1-NZ 3.25Å
130	I	76.7	Confident	80.7	Confident	102 Å²	102	89.9 Å²	89.9	52%	0.523	44%	0.442	S	S	.	.	H	α-helix	trans	-60.7	-50.8	173.1	-66.9	163.2	0	0	0	110.1	S126 N132 K133 D134	S126-I130 VanDerWaalsContact O-CG1 3.32Å; S126-I130 WeakPolarHBondContact O-CG1 3.4Å; S126-I130 PolarHBondContact O-N 2.94Å; I130-N132 VanDerWaalsContact C-N 3.33Å; I130-N132 PolarHBondContact O-N 3.1Å; I130-K133 PolarHBondContact O-N 3.22Å; I130-K133 VanDerWaalsContact O-N 3.15Å; I130-D134 PolarHBondContact O-N 3.01Å
131	C	71	Confident	79.8	Confident	79 Å²	79	96.4 Å²	96.4	53%	0.534	47%	0.47	S	S	.	.	H	α-helix	trans	-59.7	-40.5	179.3	-173	0	0	0	0	112.7	S127 L128 D134 K135	S127-C131 WeakPolarHBondContact O-CB 3.33Å; S127-C131 PolarHBondContact O-N 2.63Å; L128-C131 PolarHBondContact O-N 2.95Å; C131-D134 PolarHBondContact O-N 3.03Å; C131-K135 WeakPolarHBondContact O-CB 3.36Å; C131-K135 PolarHBondContact O-N 3.18Å
132	N	76	Confident	78.7	Confident	96 Å²	96	97.8 Å²	97.8	51%	0.513	48%	0.478	S	S	.	.	H	α-helix	trans	-67.6	-40.7	175.2	-77	-31	0	0	0	112.2	L128 E129 I130 D134 K135 E136	L128-N132 WeakPolarHBondContact O-CB 3.39Å; L128-N132 PolarHBondContact O-N 3.01Å; L128-N132 PolarHBondContact O-ND2 2.85Å; E129-N132 PolarHBondContact O-N 3.45Å; I130-N132 VanDerWaalsContact C-N 3.33Å; I130-N132 PolarHBondContact O-N 3.1Å; N132-D134 VanDerWaalsContact C-N 3.31Å; N132-D134 PolarHBondContact O-N 3.32Å; N132-K135 PolarHBondContact O-N 3.47Å; N132-E136 PolarHBondContact O-N 3.34Å
133	K	76.3	Confident	77.4	Confident	107 Å²	107	96.4 Å²	96.4	47%	0.465	48%	0.475	S	S	.	.	H	α-helix	trans	-62.6	-36.3	173.2	-78.5	168.1	169.3	170.6	0	112.1	E129 I130 R137	E129-K133 HydrophobicContact CG-CD 4.33Å; E129-K133 WeakPolarHBondContact O-CB 3.3Å; E129-K133 WeakPolarHBondContact O-CG 3.49Å; E129-K133 PolarHBondContact O-N 3.13Å; E129-K133 VanDerWaalsContact OE1-CE 3.23Å; E129-K133 WeakPolarHBondContact OE1-CE 3.49Å; E129-K133 IonicContact OE1-NZ 2.7Å; E129-K133 PolarHBondContact OE1-NZ 3.25Å; I130-K133 PolarHBondContact O-N 3.22Å; I130-K133 VanDerWaalsContact O-N 3.15Å; K133-R137 WeakPolarHBondContact O-CB 3.48Å; K133-R137 VanDerWaalsContact O-CG 3.25Å; K133-R137 WeakPolarHBondContact O-CG 3.43Å; K133-R137 PolarHBondContact O-N 3.4Å
134	D	74.3	Confident	75.9	Confident	60 Å²	60	99.3 Å²	99.3	32%	0.321	49%	0.491	S	S	.	.	H	α-helix	trans	-69.8	-42.1	173.8	-75.7	-34.1	0	0	0	112.7	I130 C131 N132 R137 N138	I130-D134 PolarHBondContact O-N 3.01Å; C131-D134 PolarHBondContact O-N 3.03Å; N132-D134 VanDerWaalsContact C-N 3.31Å; N132-D134 PolarHBondContact O-N 3.32Å; D134-R137 PolarHBondContact O-N 2.89Å; D134-R137 IonicContact OD1-CZ 3.27Å; D134-R137 VanDerWaalsContact OD1-CZ 3.29Å; D134-R137 IonicContact OD1-NE 3.25Å; D134-R137 PolarHBondContact OD1-NE 3.02Å; D134-R137 IonicContact OD1-NH2 2.63Å; D134-R137 PolarHBondContact OD1-NH2 2.79Å; D134-N138 WeakPolarHBondContact O-CB 3.45Å; D134-N138 VanDerWaalsContact O-CG 3.32Å; D134-N138 PolarHBondContact O-N 2.95Å; D134-N138 PolarHBondContact O-ND2 3.33Å
135	K	79.6	Confident	74.4	Confident	146 Å²	146	104.1 Å²	104.1	64%	0.635	51%	0.51	S	S	*	.	H	α-helix	trans	-58.8	-48.5	172.8	-169.9	174.2	-178.3	178.1	0	111.3	C131 N132 R137 N138 T139	C131-K135 WeakPolarHBondContact O-CB 3.36Å; C131-K135 PolarHBondContact O-N 3.18Å; N132-K135 PolarHBondContact O-N 3.47Å; K135-R137 PolarHBondContact O-N 2.85Å; K135-N138 PolarHBondContact O-N 3.43Å; K135-T139 PolarHBondContact O-N 2.73Å; K135-T139 PolarHBondContact O-OG1 2.94Å
136	E	78.4	Confident	73	Confident	104 Å²	104	102.4 Å²	102.4	49%	0.486	51%	0.505	S	S	.	.	H	α-helix	trans	-58.4	-45.1	173.6	-83.2	-167.8	-139.1	0	0	112.8	N132 N138 K140	N132-E136 PolarHBondContact O-N 3.34Å; E136-N138 VanDerWaalsContact C-N 3.25Å; E136-N138 PolarHBondContact O-N 3.02Å; E136-K140 VanDerWaalsContact O-CB 3.3Å; E136-K140 WeakPolarHBondContact O-CB 3.47Å; E136-K140 WeakPolarHBondContact O-CD 3.39Å; E136-K140 WeakPolarHBondContact O-CG 3.43Å; E136-K140 PolarHBondContact O-N 3.44Å; E136-K140 IonicContact OE2-NZ 3.29Å; E136-K140 PolarHBondContact OE2-NZ 3.2Å
137	R	77	Confident	71.4	Confident	145 Å²	145	105.4 Å²	105.4	55%	0.547	52%	0.516	S	S	.	.	H	α-helix	trans	-61.8	-34.1	177.8	-79.1	-169.3	-71.3	-164	-1.9	112	K133 D134 K135 K141	K133-R137 WeakPolarHBondContact O-CB 3.48Å; K133-R137 VanDerWaalsContact O-CG 3.25Å; K133-R137 WeakPolarHBondContact O-CG 3.43Å; K133-R137 PolarHBondContact O-N 3.4Å; D134-R137 PolarHBondContact O-N 2.89Å; D134-R137 IonicContact OD1-CZ 3.27Å; D134-R137 VanDerWaalsContact OD1-CZ 3.29Å; D134-R137 IonicContact OD1-NE 3.25Å; D134-R137 PolarHBondContact OD1-NE 3.02Å; D134-R137 IonicContact OD1-NH2 2.63Å; D134-R137 PolarHBondContact OD1-NH2 2.79Å; K135-R137 PolarHBondContact O-N 2.85Å; R137-K141 VanDerWaalsContact O-CG 3.32Å; R137-K141 WeakPolarHBondContact O-CG 3.38Å; R137-K141 PolarHBondContact O-N 2.85Å
138	N	73.6	Confident	70.2	Confident	89 Å²	89	110.1 Å²	110.1	48%	0.476	53%	0.533	S	S	.	.	H	α-helix	trans	-77.5	-47.9	178.1	-69.3	-19.1	0	0	0	111.8	D134 K135 E136 K140 K141 E142	D134-N138 WeakPolarHBondContact O-CB 3.45Å; D134-N138 VanDerWaalsContact O-CG 3.32Å; D134-N138 PolarHBondContact O-N 2.95Å; D134-N138 PolarHBondContact O-ND2 3.33Å; K135-N138 PolarHBondContact O-N 3.43Å; E136-N138 VanDerWaalsContact C-N 3.25Å; E136-N138 PolarHBondContact O-N 3.02Å; N138-K140 PolarHBondContact O-N 2.54Å; N138-K141 WeakPolarHBondContact O-CB 3.23Å; N138-K141 PolarHBondContact O-N 2.97Å; N138-E142 WeakPolarHBondContact O-CB 3.29Å; N138-E142 PolarHBondContact O-N 3.23Å
139	T	75.3	Confident	69	Low	59 Å²	59	110.9 Å²	110.9	36%	0.362	54%	0.542	S	S	.	.	H	α-helix	trans	-59.9	-34	175.2	-55.6	0	0	0	0	112.3	K135 E142 N143	K135-T139 PolarHBondContact O-N 2.73Å; K135-T139 PolarHBondContact O-OG1 2.94Å; T139-E142 PolarHBondContact O-N 2.86Å; T139-N143 WeakPolarHBondContact O-CB 3.3Å; T139-N143 PolarHBondContact O-N 3.22Å
140	K	75.3	Confident	67.9	Low	126 Å²	126	112.7 Å²	112.7	55%	0.548	55%	0.553	S	S	.	*	H	α-helix	trans	-66.9	-35.4	173.7	-73.2	163.6	-175	168.3	0	112.8	E136 N138 Q144	E136-K140 VanDerWaalsContact O-CB 3.3Å; E136-K140 WeakPolarHBondContact O-CB 3.47Å; E136-K140 WeakPolarHBondContact O-CD 3.39Å; E136-K140 WeakPolarHBondContact O-CG 3.43Å; E136-K140 PolarHBondContact O-N 3.44Å; E136-K140 IonicContact OE2-NZ 3.29Å; E136-K140 PolarHBondContact OE2-NZ 3.2Å; N138-K140 PolarHBondContact O-N 2.54Å; K140-Q144 WeakPolarHBondContact O-CB 3.42Å; K140-Q144 PolarHBondContact O-N 3.17Å
141	K	73.6	Confident	66.3	Low	137 Å²	137	118.4 Å²	118.4	60%	0.596	57%	0.568	S	S	*	*	H	α-helix	trans	-72.3	-38.2	173.4	-72	168.2	-179.9	176.3	0	112.5	R137 N138 Q144 K145	R137-K141 VanDerWaalsContact O-CG 3.32Å; R137-K141 WeakPolarHBondContact O-CG 3.38Å; R137-K141 PolarHBondContact O-N 2.85Å; N138-K141 WeakPolarHBondContact O-CB 3.23Å; N138-K141 PolarHBondContact O-N 2.97Å; K141-Q144 PolarHBondContact O-N 3.33Å; K141-K145 PolarHBondContact O-N 3.37Å
142	E	67.4	Low	65.2	Low	121 Å²	121	120.6 Å²	120.6	57%	0.565	58%	0.581	S	S	*	*	H	α-helix	trans	-64.5	-55	179.9	-161.9	159.6	-140.8	0	0	110.3	N138 T139 Q144 K145 D146	N138-E142 WeakPolarHBondContact O-CB 3.29Å; N138-E142 PolarHBondContact O-N 3.23Å; T139-E142 PolarHBondContact O-N 2.86Å; E142-Q144 PolarHBondContact O-N 3.33Å; E142-Q144 VanDerWaalsContact O-N 3.08Å; E142-K145 WeakPolarHBondContact O-CB 2.98Å; E142-K145 PolarHBondContact O-N 3.39Å; E142-D146 PolarHBondContact O-N 3.47Å
143	N	63.6	Low	63.9	Low	94 Å²	94	121 Å²	121	50%	0.503	60%	0.598	S	S	.	*	H	α-helix	trans	-57	-26.9	173.7	-68.2	-7.1	0	0	0	114	T139 N147	T139-N143 WeakPolarHBondContact O-CB 3.3Å; T139-N143 PolarHBondContact O-N 3.22Å; N143-N147 PolarHBondContact O-ND2 3.47Å
144	Q	60	Low	61.9	Low	129 Å²	129	123.1 Å²	123.1	60%	0.603	62%	0.615	S	S	*	*	H	α-helix	trans	-77.9	-35.4	176.4	-172.3	165.7	5	0	0	111.7	K140 K141 E142 E148	K140-Q144 WeakPolarHBondContact O-CB 3.42Å; K140-Q144 PolarHBondContact O-N 3.17Å; K141-Q144 PolarHBondContact O-N 3.33Å; E142-Q144 PolarHBondContact O-N 3.33Å; E142-Q144 VanDerWaalsContact O-N 3.08Å; Q144-E148 PolarHBondContact O-N 3.48Å
145	K	58.1	Low	60.3	Low	147 Å²	147	125.4 Å²	125.4	64%	0.639	64%	0.635	S	S	*	*	H	α-helix	trans	-73.7	-35.4	178.8	-157.2	179.6	-174.3	-172.1	0	112.6	K141 E142 E148 T149	K141-K145 PolarHBondContact O-N 3.37Å; E142-K145 WeakPolarHBondContact O-CB 2.98Å; E142-K145 PolarHBondContact O-N 3.39Å; K145-E148 PolarHBondContact O-N 3.42Å; K145-T149 PolarHBondContact O-N 2.85Å; K145-T149 PolarHBondContact O-OG1 3.29Å
146	D	56.8	Low	58.2	Low	96 Å²	96	121.6 Å²	121.6	51%	0.513	64%	0.637	S	S	.	*	H	α-helix	trans	-66.8	-38.5	174.8	-66.1	-21.5	0	0	0	111.3	E142 E148 T149	E142-D146 PolarHBondContact O-N 3.47Å; D146-E148 PolarHBondContact O-N 3.29Å; D146-T149 WeakPolarHBondContact O-CB 3.11Å; D146-T149 PolarHBondContact O-N 3.17Å
147	N	55	Low	56.5	Low	125 Å²	125	123.4 Å²	123.4	67%	0.668	66%	0.655	S	S	*	*	H	α-helix	trans	-66.3	-31.8	173.3	-95.5	-37.7	0	0	0	113.7	N143 T149	N143-N147 PolarHBondContact O-ND2 3.47Å; N147-T149 VanDerWaalsContact C-N 3.29Å
148	E	53.8	Low	55.6	Low	152 Å²	152	122.3 Å²	122.3	71%	0.71	67%	0.667	S	S	*	*	H	α-helix	trans	-74	-21.7	173	-73.5	-171.5	137.2	0	0	112.9	Q144 K145 D146 I150	Q144-E148 PolarHBondContact O-N 3.48Å; K145-E148 PolarHBondContact O-N 3.42Å; D146-E148 PolarHBondContact O-N 3.29Å; E148-I150 VanDerWaalsContact C-N 3.32Å
149	T	51.2	Low	53.5	Low	112 Å²	112	123.9 Å²	123.9	69%	0.687	69%	0.685	S	S	*	*	H	α-helix	trans	-78.9	-15.3	179.1	-54.9	0	0	0	0	112.5	K145 D146 N147	K145-T149 PolarHBondContact O-N 2.85Å; K145-T149 PolarHBondContact O-OG1 3.29Å; D146-T149 WeakPolarHBondContact O-CB 3.11Å; D146-T149 PolarHBondContact O-N 3.17Å; N147-T149 VanDerWaalsContact C-N 3.29Å
150	I	53.5	Low	51.7	Low	140 Å²	140	125.1 Å²	125.1	72%	0.718	70%	0.701	S	S	*	*			trans	-106.7	71.1	176.3	-47.9	179.1	0	0	0	110.8	E148	E148-I150 VanDerWaalsContact C-N 3.32Å
151	R	43.6	Very low	49.6	Very low	222 Å²	222	125.4 Å²	125.4	84%	0.838	71%	0.714	S	S	*	*			trans	-121.1	130.5	153.5	-81.1	-169.9	172.2	-168.2	-0.9	109.6
152	P	46.7	Very low	47.7	Very low	125 Å²	125	125.1 Å²	125.1	81%	0.812	72%	0.723	S	S	*	*			trans	-67.1	137.6	176.3	29	-33.8	0	0	0	109.8
153	A	48.2	Very low	46	Very low	105 Å²	105	124.4 Å²	124.4	87%	0.868	74%	0.738	S	S	*	*			trans	-74.5	132.1	164.2	0	0	0	0	0	109.1
154	D	34.5	Very low	44.4	Very low	152 Å²	152	123.2 Å²	123.2	81%	0.813	75%	0.748	S	S	*	*			trans	-140.7	160.3	161.9	-148.5	-24.8	0	0	0	110.5
155	S	41.1	Very low	42.9	Very low	108 Å²	108	124.4 Å²	124.4	76%	0.755	76%	0.758	S	S	*	*			trans	-77.3	161.2	-172.1	56.8	0	0	0	0	113.9
156	G	35.4	Very low	41.7	Very low	65 Å²	65	123.3 Å²	123.3	67%	0.67	76%	0.764	S	S	*	*			cis	163.8	-177.4	-6.2	0	0	0	0	0	112.4
157	T	42.5	Very low	40.4	Very low	142 Å²	142	121.9 Å²	121.9	87%	0.871	77%	0.772	S	S	*	*			trans	74.7	134.1	169	-47.1	0	0	0	0	117
158	P	59.4	Low	39.3	Very low	122 Å²	122	123.5 Å²	123.5	79%	0.792	78%	0.779	S	S	*	*			trans	-97.1	162.2	-178.4	38.4	-35.7	0	0	0	113.9
159	S	28.9	Very low	38.2	Very low	123 Å²	123	123.1 Å²	123.1	86%	0.86	79%	0.788	S	S	*	*			trans	-153.2	152.1	154.9	-168.5	0	0	0	0	110.6
160	A	37.7	Very low	37.1	Very low	84 Å²	84	121 Å²	121	69%	0.694	79%	0.788	S	S	*	*			trans	-128.2	140.1	175.6	0	0	0	0	0	109.7
161	T	31.2	Very low	36	Very low	133 Å²	133	121.4 Å²	121.4	82%	0.816	80%	0.797	S	S	*	*			trans	173.8	133.8	137.9	35	0	0	0	0	113.3
162	V	32.4	Very low	35.1	Very low	131 Å²	131	116.9 Å²	116.9	79%	0.794	80%	0.799	S	S	*	*			trans	62.4	101.9	135.6	-175.5	0	0	0	0	121.1
163	A	31.5	Very low	34.6	Very low	105 Å²	105	116.6 Å²	116.6	87%	0.868	80%	0.8	S	S	*	*				49.8	144.3	123.8	0	0	0	0	0	124.9
164	G	30.2	Very low	33.5	Very low	70 Å²	70	120.9 Å²	120.9	72%	0.722	80%	0.802	S	S	*	*			trans	134	92.3	170.5	0	0	0	0	0	111.6
165	D	29.1	Very low	33.2	Very low	153 Å²	153	117.4 Å²	117.4	82%	0.818	80%	0.795	S	S	*	*				75.2	125.8	69.3	-159.7	31.8	0	0	0	112.4
166	T	33.2	Very low	32.5	Very low	124 Å²	124	116.6 Å²	116.6	76%	0.761	80%	0.795	S	S	*	*			cis	-147.2	149.4	9.2	-34.5	0	0	0	0	113.1
167	G	29.6	Very low	32	Very low	66 Å²	66	122 Å²	122	68%	0.68	80%	0.803	S	S	*	*			trans	84.4	156.6	144.5	0	0	0	0	0	120
168	I	32.1	Very low	31.4	Very low	160 Å²	160	121.4 Å²	121.4	82%	0.821	80%	0.799	S	S	*	*			cis	-150.7	152.5	-7.7	-33.8	172.7	0	0	0	110
169	T	30.2	Very low	29.8	Very low	144 Å²	144	123.5 Å²	123.5	88%	0.883	80%	0.803	S	S	*	*			trans	70.9	135.6	167.2	67.6	0	0	0	0	118.2
170	G	29	Very low	29.8	Very low	68 Å²	68	121.1 Å²	121.1	70%	0.701	80%	0.798	S	S	*	*			trans	163.4	0.2	172.8	0	0	0	0	0	121.9
171	T	28.7	Very low	29.3	Very low	148 Å²	148	120.3 Å²	120.3	91%	0.908	80%	0.798	S	S	*	*			trans	47.4	102.4	170	52.2	0	0	0	0	119
172	S	25.7	Very low	29.3	Very low	126 Å²	126	120.5 Å²	120.5	88%	0.881	81%	0.805	S	S	*	*			trans	-146.6	168.5	156.7	56.8	0	0	0	0	111.1
173	S	35.6	Very low	29.1	Very low	119 Å²	119	117.5 Å²	117.5	83%	0.832	80%	0.8	S	S	*	*			trans	-104.6	139.8	-162.2	-46.3	0	0	0	0	114.8
174	E	25.7	Very low	29.2	Very low	195 Å²	195	121.3 Å²	121.3	91%	0.911	81%	0.805	S	S	*	*			trans	-162.9	164.2	161.4	-87.5	-167.2	106.5	0	0	108.1
175	A	27.1	Very low	29	Very low	80 Å²	80	121.4 Å²	121.4	66%	0.661	81%	0.805	S	S	*	*			cis	-171.7	177.7	-26.8	0	0	0	0	0	109.5
176	A	26.5	Very low	29.9	Very low	90 Å²	90	119.7 Å²	119.7	74%	0.744	80%	0.803	S	S	*	*			trans	65.4	107.8	153.6	0	0	0	0	0	122.1
177	E	26.8	Very low	29.9	Very low	179 Å²	179	122.6 Å²	122.6	84%	0.836	81%	0.807	S	S	*	*				56.6	152.1	111.1	-67.2	-69.3	127.1	0	0	124.5
178	V	28.3	Very low	29.9	Very low	130 Å²	130	128.4 Å²	128.4	79%	0.788	82%	0.817	S	S	*	*			trans	90.4	122.6	157.1	-150.2	0	0	0	0	121.6
179	D	26.9	Very low	29.8	Very low	166 Å²	166	124.3 Å²	124.3	89%	0.888	81%	0.814	S	S	*	*			trans	76.7	147.6	160.6	-129	-21.1	0	0	0	122.2
180	G	28.2	Very low	29.7	Very low	72 Å²	72	124.2 Å²	124.2	74%	0.742	81%	0.814	S	S	*	*			trans	168.6	-38.3	174.6	0	0	0	0	0	119.4
181	G	27.1	Very low	29.8	Very low	68 Å²	68	126.6 Å²	126.6	70%	0.701	82%	0.819	S	S	*	*			trans	73.8	144.6	166.5	0	0	0	0	0	121.3
182	S	31.8	Very low	29.8	Very low	137 Å²	137	123.8 Å²	123.8	96%	0.958	81%	0.811	S	S	*	*			trans	67.7	134.1	164.3	-48.6	0	0	0	0	119.1
183	G	27.9	Very low	29.9	Very low	67 Å²	67	123.3 Å²	123.3	69%	0.691	81%	0.808	S	S	*	*			cis	170.1	168	-7.1	0	0	0	0	0	113.5
184	L	34.3	Very low	29.6	Very low	186 Å²	186	124.1 Å²	124.1	97%	0.974	81%	0.808	S	S	*	*			trans	73.2	138.1	177.5	-50	178.9	0	0	0	117.4
185	G	26	Very low	30.2	Very low	71 Å²	71	120.3 Å²	120.3	73%	0.732	80%	0.8	S	S	*	*			trans	-113.6	-136.7	171.3	0	0	0	0	0	111.1
186	P	47.8	Very low	30.1	Very low	117 Å²	117	123.8 Å²	123.8	76%	0.76	81%	0.807	S	S	*	*			cis	-142.2	174.8	9.7	45.3	-27.3	0	0	0	117.1
187	E	31.7	Very low	30.1	Very low	185 Å²	185	124.1 Å²	124.1	86%	0.864	80%	0.804	S	S	*	*			trans	65.7	156	161.5	-35.6	-150.9	119.5	0	0	117.2
188	E	30.3	Very low	30	Very low	188 Å²	188	122.3 Å²	122.3	88%	0.879	81%	0.805	S	S	*	*			cis	-151.9	165.1	12.1	-160.5	-176.5	-168.4	0	0	111.3
189	G	29.9	Very low	30	Very low	74 Å²	74	119.9 Å²	119.9	76%	0.763	80%	0.799	S	S	*	*			trans	98.1	81.5	154.5	0	0	0	0	0	119.3
190	T	28.7	Very low	30	Very low	143 Å²	143	118.9 Å²	118.9	88%	0.877	80%	0.798	S	S	*	*			trans	-82.9	155.6	-178.7	-41.4	0	0	0	0	114.9
191	S	31.3	Very low	29.9	Very low	117 Å²	117	119.9 Å²	119.9	82%	0.818	80%	0.8	S	S	*	*			trans	-131.6	136.4	159.4	63	0	0	0	0	111.9
192	A	27.8	Very low	30	Very low	89 Å²	89	122.9 Å²	122.9	74%	0.736	81%	0.805	S	S	*	*			trans	-173.8	158.2	167.1	0	0	0	0	0	115.6
193	S	28.5	Very low	30.5	Very low	117 Å²	117	122.1 Å²	122.1	82%	0.818	80%	0.796	S	S	*	*			trans	72.3	113.6	145.7	56.7	0	0	0	0	123.9
194	T	28.7	Very low	30.7	Very low	135 Å²	135	123.7 Å²	123.7	83%	0.828	80%	0.803	S	S	*	*			trans	-71.9	179.9	144.4	19.9	0	0	0	0	112
195	P	39.6	Very low	30.3	Very low	115 Å²	115	118.5 Å²	118.5	75%	0.747	79%	0.794	S	S	*	*			cis	-140.9	179.6	8.1	43.2	-24.3	0	0	0	118.7
196	L	24.2	Very low	30.5	Very low	154 Å²	154	120.8 Å²	120.8	81%	0.806	80%	0.799	S	S	*	*			trans	87.9	103.8	139.2	-151.3	65.3	0	0	0	124.7
197	S	26.7	Very low	29.5	Very low	97 Å²	97	119.9 Å²	119.9	68%	0.678	80%	0.796	S	S	*	*			trans	80.8	147	135.7	-68.6	0	0	0	0	126.9
198	T	24.5	Very low	29.6	Very low	141 Å²	141	122.3 Å²	122.3	87%	0.865	80%	0.797	S	S	*	*			trans	77.4	146.1	157.8	15	0	0	0	0	119
199	A	27.2	Very low	29.6	Very low	78 Å²	78	120.4 Å²	120.4	65%	0.645	79%	0.793	S	S	*	*			cis	-160.2	175.5	4	0	0	0	0	0	114.6
200	V	27.7	Very low	29.9	Very low	146 Å²	146	124.8 Å²	124.8	89%	0.885	80%	0.797	S	S	*	*			trans	73.4	142.6	154.3	169.3	0	0	0	0	117.3
201	A	27	Very low	29.9	Very low	93 Å²	93	125.2 Å²	125.2	77%	0.769	79%	0.794	S	S	*	*			cis	-141.1	173.7	12.3	0	0	0	0	0	115.1
202	T	28	Very low	29.8	Very low	131 Å²	131	125.5 Å²	125.5	80%	0.804	80%	0.796	S	S	*	*			trans	-108.7	165.3	172.2	36.1	0	0	0	0	112.6
203	P	43.5	Very low	30	Very low	120 Å²	120	126 Å²	126	78%	0.779	80%	0.8	S	S	*	*				-124.8	146.3	82	4.4	19.2	0	0	0	113
204	A	30.6	Very low	29.9	Very low	100 Å²	100	131.2 Å²	131.2	83%	0.826	80%	0.803	S	S	*	*				62.5	131.1	73.2	0	0	0	0	0	114.3
205	G	27.5	Very low	29.9	Very low	78 Å²	78	128.4 Å²	128.4	80%	0.804	79%	0.789	S	S	*	*			cis	176.7	-172.2	-1.1	0	0	0	0	0	110.3
206	S	29.2	Very low	29.5	Very low	119 Å²	119	128.2 Å²	128.2	83%	0.832	79%	0.79	S	S	*	*			cis	-164.3	129.9	-4.2	-167.5	0	0	0	0	112.7
207	S	27.8	Very low	29.7	Very low	98 Å²	98	130.6 Å²	130.6	69%	0.685	79%	0.788	S	S	*	*			trans	41.7	125.9	143.8	-166	0	0	0	0	122.9
208	R	33.2	Very low	29.6	Very low	236 Å²	236	131.7 Å²	131.7	89%	0.891	78%	0.783	S	S	*	*				-171.8	123.9	107.8	-96.8	159.4	-166.3	173.7	5.8	112.9
209	N	29.2	Very low	29.7	Very low	148 Å²	148	133.3 Å²	133.3	79%	0.791	78%	0.781	S	S	*	*			trans	-98.1	160.1	159	-75.9	0.7	0	0	0	109.6
210	I	36.3	Very low	29.8	Very low	165 Å²	165	139.3 Å²	139.3	85%	0.846	79%	0.793	S	S	*	*			trans	-157.7	132.5	149.7	-103.4	152	0	0	0	107.9
211	D	29.9	Very low	30.6	Very low	152 Å²	152	137.8 Å²	137.8	81%	0.813	79%	0.786	S	S	*	*			trans	-93.3	146.6	176.1	-57.8	-80.5	0	0	0	111.5
212	S	29.7	Very low	31.8	Very low	124 Å²	124	139.1 Å²	139.1	87%	0.867	79%	0.786	S	S	*	*			trans	-168.6	153.4	138.5	61.2	0	0	0	0	110.7
213	A	31.9	Very low	31.6	Very low	98 Å²	98	136.2 Å²	136.2	81%	0.81	78%	0.783	S	S	*	*			trans	-112.1	145.4	178.5	0	0	0	0	0	111.6
214	Y	26.1	Very low	31.1	Very low	227 Å²	227	140.5 Å²	140.5	89%	0.89	78%	0.784	S	S	*	*			trans	-154.7	172.3	159.9	-159.6	-110.2	0	0	0	113.2
215	S	28.1	Very low	31.1	Very low	76 Å²	76	142.2 Å²	142.2	53%	0.531	78%	0.775	S	S	.	*			trans	-83.8	143.2	-158.8	-54.3	0	0	0	0	117.7
216	S	30.4	Very low	31.1	Very low	111 Å²	111	145 Å²	145	78%	0.776	77%	0.771	S	S	*	*				41.8	137.7	123.5	-44	0	0	0	0	123.8
217	R	28.8	Very low	31.2	Very low	204 Å²	204	146.8 Å²	146.8	77%	0.77	77%	0.766	S	S	*	*				114.6	123.1	123.5	-136.1	-173.9	176.4	-145.9	-17.7	119.9
218	E	26.2	Very low	31.2	Very low	121 Å²	121	151.9 Å²	151.9	57%	0.565	78%	0.776	S	S	*	*			trans	73.4	137.7	141.6	-86	157.1	-157.7	0	0	127.1
219	E	26	Very low	30.8	Very low	175 Å²	175	144.3 Å²	144.3	82%	0.818	77%	0.772	S	S	*	*			trans	78.6	144	142.8	-74.1	-178.8	112.2	0	0	126.1
220	F	28.3	Very low	30.6	Very low	203 Å²	203	145.3 Å²	145.3	89%	0.89	77%	0.771	S	S	*	*			trans	-104.6	-159.3	168.2	-68.7	-94.5	0	0	0	108.6
221	P	46	Very low	30.2	Very low	114 Å²	114	144.5 Å²	144.5	74%	0.74	77%	0.766	S	S	*	*			cis	-128.1	-130.8	-15.3	40.2	-18.1	0	0	0	110.2
222	P	51	Low	30	Very low	121 Å²	121	142.5 Å²	142.5	79%	0.786	76%	0.755	S	S	*	*			cis	-134.2	174.9	-34.4	37.5	-20.1	0	0	0	117
223	G	24.1	Very low	30	Very low	71 Å²	71	144.4 Å²	144.4	73%	0.732	75%	0.75	S	S	*	*			trans	112.7	159.7	148.2	0	0	0	0	0	118.4
224	R	33.3	Very low	29.7	Very low	209 Å²	209	146.7 Å²	146.7	79%	0.789	75%	0.754	S	S	*	*			cis	-167.8	149.8	-16.3	-131.8	172.5	-177.6	-101.1	-5	111.6
225	E	29.5	Very low	30	Very low	137 Å²	137	143.4 Å²	143.4	64%	0.64	75%	0.752	S	S	*	*			trans	60.6	110.7	150.8	-78.1	154.3	150.1	0	0	125.6
226	D	27.6	Very low	29.9	Very low	135 Å²	135	147.5 Å²	147.5	72%	0.722	77%	0.767	S	S	*	*				81.6	132.6	114.7	-95.5	26.2	0	0	0	128.7
227	Q	32.1	Very low	29.7	Very low	158 Å²	158	147 Å²	147	74%	0.738	76%	0.764	S	S	*	*			trans	83.4	97.8	139.7	-74.1	-179.9	69.4	0	0	125.7
228	K	26.9	Very low	29.5	Very low	204 Å²	204	142.5 Å²	142.5	89%	0.887	76%	0.763	S	S	*	*				73.7	117.3	112.4	-159.7	176.8	-173.3	177.9	0	122
229	G	26.1	Very low	29.5	Very low	78 Å²	78	142.7 Å²	142.7	80%	0.804	78%	0.778	S	S	*	*			trans	-156.6	169.2	165.8	0	0	0	0	0	111.9
230	H	24.9	Very low	29.5	Very low	168 Å²	168	139.1 Å²	139.1	78%	0.778	77%	0.773	S	S	*	*			trans	-140.3	156.4	-166.1	-170.1	-75	0	0	0	114.3
231	M	26.8	Very low	29.4	Very low	149 Å²	149	134.3 Å²	134.3	73%	0.734	76%	0.764	S	S	*	*			trans	112.9	104.4	156.4	-148.6	74.2	83.2	0	0	118.3
232	D	26.6	Very low	28.4	Very low	110 Å²	110	134.6 Å²	134.6	59%	0.588	77%	0.769	S	S	*	*			trans	38.6	122.1	149.7	-68.9	-80.8	0	0	0	126.5
233	Q	29.9	Very low	27.5	Very low	164 Å²	164	133.7 Å²	133.7	77%	0.766	77%	0.771	S	S	*	*				66.9	108.6	128.9	-65.2	177	59.1	0	0	121.9
234	T	24.9	Very low	27.6	Very low	145 Å²	145	138.2 Å²	138.2	89%	0.89	78%	0.778	S	S	*	*				-159	162.3	107.2	11.3	0	0	0	0	110.9
235	N	32.1	Very low	27.2	Very low	159 Å²	159	134.3 Å²	134.3	85%	0.85	78%	0.778	S	S	*	*			trans	-73.5	144.6	-165.6	-60.7	-71.3	0	0	0	115.1
236	L	26.3	Very low	27.2	Very low	162 Å²	162	133.5 Å²	133.5	85%	0.848	78%	0.784	S	S	*	*			trans	-174.4	132.3	132.7	-101.8	169.8	0	0	0	113.3
237	S	25.7	Very low	27.1	Very low	101 Å²	101	135.4 Å²	135.4	71%	0.706	79%	0.789	S	S	*	*			trans	66.2	140	148.3	-58.6	0	0	0	0	124.1
238	S	24.6	Very low	26.8	Very low	108 Å²	108	135.2 Å²	135.2	76%	0.755	79%	0.792	S	S	*	*			trans	79.2	106.7	147.3	-58.3	0	0	0	0	122
239	S	27.6	Very low	26.7	Very low	126 Å²	126	131.5 Å²	131.5	88%	0.881	79%	0.786	S	S	*	*			trans	64.6	159.2	143	-52.5	0	0	0	0	118.4
240	S	25.8	Very low	26.9	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	78%	0.78	S	S	*	*			cis	-151.5	168.5	13.2	60.3	0	0	0	0	113.5
241	S	26.3	Very low	27	Very low	102 Å²	102	130.8 Å²	130.8	71%	0.713	78%	0.775	S	S	*	*			trans	52.8	121.4	142.2	63.3	0	0	0	0	121.7
242	S	25	Very low	27.2	Very low	119 Å²	119	126.5 Å²	126.5	83%	0.832	75%	0.753	S	S	*	*			trans	-131.1	136.1	138.5	-75	0	0	0	0	108.4
243	A	31.1	Very low	27.8	Very low	102 Å²	102	125.8 Å²	125.8	84%	0.843	75%	0.748	S	S	*	*			trans	-79.5	140.4	-179.4	0	0	0	0	0	111
244	L	26.9	Very low	27.9	Very low	167 Å²	167	119.3 Å²	119.3	87%	0.874	72%	0.717	S	S	*	*			trans	-123	125.6	171.9	-67.2	177.1	0	0	0	109.7
245	T	25.1	Very low	28.7	Very low	127 Å²	127	119 Å²	119	78%	0.779	70%	0.701	S	S	*	*			trans	-73.5	135.6	167.7	44.9	0	0	0	0	109.8	E247	T245-E247 PolarHBondContact O-N 2.89Å
246	P	28.9	Very low	29.5	Very low	120 Å²	120	112.7 Å²	112.7	78%	0.779	67%	0.667	S	S	*	*			trans	-73	111.2	175.4	29	-32.7	0	0	0	110.7
247	E	24.7	Very low	30.6	Very low	174 Å²	174	106.2 Å²	106.2	81%	0.813	64%	0.635	S	S	*	*			trans	-64.7	143.4	168.3	-83.3	-164.1	103.5	0	0	111.7	T245 V249	T245-E247 PolarHBondContact O-N 2.89Å; E247-V249 PolarHBondContact O-N 3.22Å
248	L	26.3	Very low	31.7	Very low	154 Å²	154	102 Å²	102	81%	0.806	61%	0.605	S	S	*	*			trans	-79	84.8	174.8	-76.3	84.3	0	0	0	111.1	N250	L248-N250 PolarHBondContact O-N 3.07Å
249	V	25.1	Very low	33.1	Very low	126 Å²	126	103.8 Å²	103.8	76%	0.764	60%	0.601	S	S	*	*			trans	-66.7	97.3	167.5	-178.2	0	0	0	0	109.4	E247 P251	E247-V249 PolarHBondContact O-N 3.22Å; V249-P251 WeakPolarHBondContact O-CD 3.04Å
250	N	30.5	Very low	33.9	Very low	128 Å²	128	104.8 Å²	104.8	68%	0.684	59%	0.591	S	S	*	*			trans	-80.5	107.1	175.7	-95.9	-43	0	0	0	111.8	L248	L248-N250 PolarHBondContact O-N 3.07Å
251	P	27.8	Very low	34.9	Very low	103 Å²	103	106.5 Å²	106.5	67%	0.669	59%	0.592	S	S	*	*			trans	-85.1	139.1	178	-3.8	25.7	0	0	0	110.7	V249 I253	V249-P251 WeakPolarHBondContact O-CD 3.04Å; P251-I253 PolarHBondContact O-N 3.42Å
252	K	30.5	Very low	35.4	Very low	60 Å²	60	107 Å²	107	26%	0.261	59%	0.591	S	S	.	*			trans	-79.7	101.9	174.6	-100.3	47.4	159	140.2	0	110	E254 Y386 T387 A388 K389	K252-E254 PolarHBondContact O-N 3.37Å; K252-Y386 HydrophobicContact CG-CE2 4.28Å; K252-T387 WeakPolarHBondContact CD-O 3.2Å; K252-T387 WeakPolarHBondContact CE-O 3.39Å; K252-T387 WeakPolarHBondContact CG-O 3.43Å; K252-T387 PolarHBondContact NZ-O 3.4Å; K252-T387 PolarHBondContact NZ-OG1 3.26Å; K252-A388 VanDerWaalsContact CE-C 3.47Å; K252-A388 HydrophobicContact CG-CB 3.9Å; K252-K389 VanDerWaalsContact CE-N 3.33Å
253	I	38.4	Very low	35.7	Very low	95 Å²	95	109.6 Å²	109.6	49%	0.487	59%	0.59	S	S	.	*			trans	-82.3	104.7	167.9	-75.7	168.9	0	0	0	109.4	H60 P251 Y386	H60-I253 WeakPolarHBondContact NE2-CG2 3.47Å; P251-I253 PolarHBondContact O-N 3.42Å; I253-Y386 WeakPolarHBondContact O-CE2 3.32Å
254	E	31.9	Very low	35.5	Very low	27 Å²	27	109.2 Å²	109.2	13%	0.126	58%	0.581	C	S	.	*			trans	-95.8	104.1	174.4	-172.7	172.8	-152.8	0	0	110.9	K252 I393 R396 H397 R418	K252-E254 PolarHBondContact O-N 3.37Å; E254-I393 HydrophobicContact CB-CG2 4.44Å; E254-I393 HydrophobicContact CG-CG2 4.47Å; E254-R396 WeakPolarHBondContact OE1-CB 3.37Å; E254-R396 VanDerWaalsContact OE1-CD 3.31Å; E254-R396 WeakPolarHBondContact OE1-CD 3.3Å; E254-R396 VanDerWaalsContact OE1-CG 3.32Å; E254-R396 WeakPolarHBondContact OE1-CG 3.21Å; E254-R396 WeakPolarHBondContact OE2-CD 3.13Å; E254-R396 IonicContact OE2-CZ 3.83Å; E254-R396 IonicContact OE2-NE 3.58Å; E254-R396 IonicContact OE2-NH1 3.61Å; E254-R396 PolarHBondContact OE2-NH1 3.43Å; E254-H397 HydrophobicContact CG-CB 4.39Å; E254-H397 PolarHBondContact OE1-N 2.91Å; E254-R418 PolarHBondContact O-NH2 3.3Å
255	Y	42.2	Very low	36.2	Very low	138 Å²	138	106.5 Å²	106.5	54%	0.541	57%	0.573	S	S	.	*			trans	-54.1	142.7	170.9	179	-87.5	0	0	0	111.4	P257 C400	Y255-P257 HydrophobicContact CE1-CB 4.1Å; Y255-C400 HydrophobicContact CD1-CB 3.73Å; Y255-C400 HydrophobicContact CE1-CB 4.18Å; Y255-C400 PolarHBondContact O-SG 3.38Å
256	D	48.4	Very low	36.4	Very low	28 Å²	28	107.4 Å²	107.4	15%	0.15	57%	0.574	C	S	.	*			trans	-123.6	133.6	168.1	-160.1	-86.2	0	0	0	111.8	D258 T417 R418 H421	D256-D258 VanDerWaalsContact OD1-CB 3.24Å; D256-D258 WeakPolarHBondContact OD1-CB 2.98Å; D256-D258 PolarHBondContact OD1-N 3.45Å; D256-T417 PolarHBondContact OD1-OG1 3.38Å; D256-T417 PolarHBondContact OD2-OG1 2.71Å; D256-T417 VanDerWaalsContact OD2-OG1 3.1Å; D256-R418 WeakPolarHBondContact OD2-CD 3.25Å; D256-R418 WeakPolarHBondContact OD2-CG 3.49Å; D256-R418 IonicContact OD2-CZ 2.79Å; D256-R418 IonicContact OD2-NE 3.92Å; D256-R418 PolarHBondContact OD2-NE 3.27Å; D256-R418 IonicContact OD2-NH2 3.86Å; D256-H421 IonicContact OD1-CD2 2.71Å; D256-H421 PolarHBondContact OD1-CD2 3.28Å; D256-H421 IonicContact OD1-NE2 2.63Å; D256-H421 IonicContact OD2-CD2 2.84Å; D256-H421 IonicContact OD2-NE2 2.58Å
257	P	49.6	Very low	36.3	Very low	26 Å²	26	108.8 Å²	108.8	17%	0.169	58%	0.58	C	S	.	*	S	Bend	trans	-86.9	-5.8	-179.3	35.8	-37.4	0	0	0	115	Y255 R405 T417	Y255-P257 HydrophobicContact CE1-CB 4.1Å; P257-R405 PolarHBondContact O-NH2 2.83Å; P257-T417 HydrophobicContact CG-CG2 3.43Å; P257-T417 VanDerWaalsContact CG-CG2 3.43Å
258	D	49	Very low	36.7	Very low	13 Å²	13	109 Å²	109	7%	0.07	58%	0.578	C	S	.	*	T	Hydrogen-bonded Turn	trans	-77.4	-19.7	-172.5	-72.2	-23.5	0	0	0	116.2	D256 E260 R405 F416 T417 R418 H421	D256-D258 VanDerWaalsContact OD1-CB 3.24Å; D256-D258 WeakPolarHBondContact OD1-CB 2.98Å; D256-D258 PolarHBondContact OD1-N 3.45Å; D258-E260 PolarHBondContact O-N 2.05Å; D258-E260 VanDerWaalsContact O-N 3.11Å; D258-R405 IonicContact OD1-CZ 2.84Å; D258-R405 IonicContact OD1-NE 2.69Å; D258-R405 PolarHBondContact OD1-NE 3.49Å; D258-R405 IonicContact OD1-NH2 3.59Å; D258-R405 PolarHBondContact OD1-NH2 3.29Å; D258-F416 HydrophobicContact CB-CD1 4.04Å; D258-F416 VanDerWaalsContact OD2-C 3.3Å; D258-F416 WeakPolarHBondContact OD2-CA 3.31Å; D258-F416 WeakPolarHBondContact OD2-CB 3.31Å; D258-T417 VanDerWaalsContact CG-N 3.26Å; D258-T417 PolarHBondContact OD1-N 2.9Å; D258-T417 VanDerWaalsContact OD1-N 3.13Å; D258-T417 PolarHBondContact OD1-OG1 3.21Å; D258-T417 PolarHBondContact OD2-N 3.33Å; D258-T417 PolarHBondContact OD2-OG1 3.32Å; D258-R418 PolarHBondContact OD2-N 2.91Å; D258-H421 HydrophobicContact CB-CB 4.37Å; D258-H421 IonicContact OD2-CD2 3.27Å
259	E	54.7	Low	36.9	Very low	144 Å²	144	107.9 Å²	107.9	67%	0.673	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-15.4	-178.6	-69	-69.1	120	0	0	113.2	L261	E259-L261 PolarHBondContact O-N 3.21Å
260	E	43.4	Very low	37	Very low	147 Å²	147	110.7 Å²	110.7	69%	0.687	58%	0.583	S	S	*	*	S	Bend	trans	-94.1	73.6	174.5	-63.8	-166.7	172.6	0	0	113.2	D258	D258-E260 PolarHBondContact O-N 2.05Å; D258-E260 VanDerWaalsContact O-N 3.11Å
261	L	47.4	Very low	37	Very low	137 Å²	137	109.1 Å²	109.1	72%	0.717	59%	0.587	S	S	*	*			trans	177.2	87.7	135.7	-116.8	82.8	0	0	0	114.3	E259 K414	E259-L261 PolarHBondContact O-N 3.21Å; L261-K414 PolarHBondContact O-NZ 3.04Å
262	V	35.6	Very low	37.2	Very low	113 Å²	113	110 Å²	110	69%	0.685	59%	0.593	S	S	*	*			trans	-120	58.2	172.8	-160.9	0	0	0	0	112.6
263	E	31.3	Very low	36.9	Very low	172 Å²	172	118 Å²	118	80%	0.804	62%	0.623	S	S	*	*			trans	-75.5	134.6	152.8	-68.1	-167.4	147.8	0	0	109.5
264	S	27.5	Very low	36.8	Very low	95 Å²	95	119.2 Å²	119.2	66%	0.664	64%	0.637	S	S	*	*			trans	-108.2	139.4	174.2	-71.3	0	0	0	0	110.5
265	P	41.3	Very low	36.5	Very low	110 Å²	110	121.6 Å²	121.6	71%	0.714	67%	0.669	S	S	*	*			trans	-80.1	174.3	174.4	35.4	-36.3	0	0	0	112.5
266	D	30.3	Very low	35.7	Very low	146 Å²	146	120.7 Å²	120.7	78%	0.781	68%	0.683	S	S	*	*			trans	65.7	100.1	161	-57.5	-45.6	0	0	0	119.7
267	T	26.9	Very low	34.6	Very low	148 Å²	148	124.5 Å²	124.5	91%	0.908	71%	0.712	S	S	*	*				-134.1	138.7	117.9	48.8	0	0	0	0	109.7
268	K	32	Very low	33.6	Very low	179 Å²	179	130.4 Å²	130.4	78%	0.778	74%	0.741	S	S	*	*			trans	-135.2	132.9	173.7	-124.9	-163.1	171.8	-170.3	0	110.1
269	D	30.3	Very low	32.7	Very low	130 Å²	130	138.5 Å²	138.5	70%	0.695	78%	0.778	S	S	*	*			trans	41.9	84.9	148.1	-51.1	-36.9	0	0	0	118.8
270	L	28	Very low	31.3	Very low	186 Å²	186	134.6 Å²	134.6	97%	0.974	78%	0.776	S	S	*	*			trans	-136.7	134.9	136.3	-78.3	-175.3	0	0	0	109.4
271	A	29.7	Very low	30.5	Very low	94 Å²	94	133.4 Å²	133.4	78%	0.777	78%	0.779	S	S	*	*			trans	-110.8	151.3	-169.8	0	0	0	0	0	113
272	P	31.9	Very low	29.7	Very low	122 Å²	122	134.5 Å²	134.5	79%	0.792	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-82	164.2	175.6	34.1	-35.4	0	0	0	113.5
273	Y	26.1	Very low	29.4	Very low	228 Å²	228	136.4 Å²	136.4	89%	0.894	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-64.6	149.3	-177.3	-74.7	-102.2	0	0	0	114.5
274	P	34.7	Very low	29.1	Very low	120 Å²	120	132.9 Å²	132.9	78%	0.779	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-86.9	148.4	171	35.1	-34	0	0	0	113.3
275	G	25.4	Very low	29	Very low	77 Å²	77	139.3 Å²	139.3	79%	0.794	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-80.4	167.3	164	0	0	0	0	0	113
276	S	26.3	Very low	28.3	Very low	120 Å²	120	140.7 Å²	140.7	84%	0.839	79%	0.786	S	S	*	*			trans	-99.6	-178.6	-170.8	-46.7	0	0	0	0	114.6
277	S	25.4	Very low	28.1	Very low	108 Å²	108	140.8 Å²	140.8	76%	0.755	79%	0.786	S	S	*	*			trans	76.3	135.1	175.3	-83.9	0	0	0	0	116.5
278	L	28.3	Very low	27.9	Very low	149 Å²	149	140.8 Å²	140.8	78%	0.78	78%	0.779	S	S	*	*			cis	-138.4	174.4	-2	-78	111.3	0	0	0	111.4
279	H	29.4	Very low	27.6	Very low	184 Å²	184	140.6 Å²	140.6	85%	0.852	78%	0.781	S	S	*	*			trans	-12.6	150.1	159.3	-59	-118.5	0	0	0	118.8
280	G	26.1	Very low	27.6	Very low	61 Å²	61	139.6 Å²	139.6	63%	0.629	78%	0.784	S	S	*	*			cis	163.3	155.5	-2.1	0	0	0	0	0	113.6
281	T	26.5	Very low	27.8	Very low	122 Å²	122	137.1 Å²	137.1	75%	0.748	78%	0.779	S	S	*	*			trans	42.4	110.3	158.1	55.4	0	0	0	0	121.5
282	H	30.3	Very low	27.6	Very low	160 Å²	160	138.3 Å²	138.3	74%	0.741	78%	0.782	S	S	*	*				163.3	143.1	107.7	-86.5	-67.9	0	0	0	115.8
283	H	29.4	Very low	27.4	Very low	154 Å²	154	137.1 Å²	137.1	71%	0.713	78%	0.783	S	S	*	*			trans	33.2	113.6	150.1	-61.3	-55.9	0	0	0	124.9
284	S	26	Very low	27.3	Very low	98 Å²	98	131 Å²	131	69%	0.685	77%	0.773	S	S	*	*				65.7	130.6	109	-51.6	0	0	0	0	123.6
285	R	25.6	Very low	26.9	Very low	230 Å²	230	132.1 Å²	132.1	87%	0.868	77%	0.773	S	S	*	*			trans	90	133.8	133	-92.5	-175.2	-177	-167.3	2	122.1
286	L	25.8	Very low	26.8	Very low	138 Å²	138	136.7 Å²	136.7	72%	0.723	77%	0.773	S	S	*	*			trans	87.2	106.1	145.9	-66	164.1	0	0	0	121.8
287	L	25.1	Very low	26.8	Very low	149 Å²	149	142.6 Å²	142.6	78%	0.78	78%	0.777	S	S	*	*				29.5	126.4	121.9	-58.2	175.2	0	0	0	120.9
288	L	24.4	Very low	26.8	Very low	147 Å²	147	142.5 Å²	142.5	77%	0.77	78%	0.777	S	S	*	*				-166.4	114.9	117.9	-120.2	61.4	0	0	0	108.1
289	Q	24.6	Very low	27.2	Very low	175 Å²	175	140.6 Å²	140.6	82%	0.818	77%	0.773	S	S	*	*				67.8	127.1	95.4	-67.6	-173.7	-34.1	0	0	117.1
290	S	31.2	Very low	27.1	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	78%	0.777	S	S	*	*			trans	-73.8	172.3	162.6	-36.9	0	0	0	0	111.7
291	P	32.3	Very low	27	Very low	134 Å²	134	141 Å²	141	87%	0.87	78%	0.784	S	S	*	*				-135.6	171	118.6	37.7	-28.7	0	0	0	114.3
292	S	25.4	Very low	26.9	Very low	120 Å²	120	146.5 Å²	146.5	84%	0.839	79%	0.793	S	S	*	*			trans	-127.4	138	-174.6	-51.2	0	0	0	0	112.1
293	A	26.3	Very low	26.8	Very low	97 Å²	97	141.7 Å²	141.7	80%	0.802	79%	0.787	S	S	*	*			trans	-172.2	157.7	164.3	0	0	0	0	0	110
294	S	25	Very low	27.2	Very low	99 Å²	99	139.8 Å²	139.8	69%	0.692	79%	0.788	S	S	*	*			cis	-168.2	171.3	-29.8	57.7	0	0	0	0	110
295	N	25.6	Very low	27.4	Very low	143 Å²	143	140.7 Å²	140.7	77%	0.765	79%	0.794	S	S	*	*			trans	76.1	116.1	159.5	-64.4	9.6	0	0	0	122
296	E	24.4	Very low	27.6	Very low	173 Å²	173	139.1 Å²	139.1	81%	0.808	79%	0.794	S	S	*	*				56.2	114.7	121.6	-58.3	-72.5	88.6	0	0	121.3
297	R	25	Very low	27.7	Very low	244 Å²	244	140.3 Å²	140.3	92%	0.921	80%	0.801	S	S	*	*				155.5	128.4	99.8	-157.5	174.7	-162.8	-177.4	5	113.5
298	S	26.1	Very low	27.9	Very low	107 Å²	107	140.2 Å²	140.2	75%	0.748	81%	0.807	S	S	*	*			trans	-82.9	173.1	172	-58.8	0	0	0	0	111.8
299	P	37.7	Very low	28.4	Very low	109 Å²	109	145 Å²	145	71%	0.708	82%	0.815	S	S	*	*			cis	-144.8	-179.8	17.2	45	-25.8	0	0	0	118.5
300	L	25.9	Very low	28.7	Very low	178 Å²	178	145.2 Å²	145.2	93%	0.932	82%	0.816	S	S	*	*			trans	52.6	115.5	153	-71.2	164.9	0	0	0	120
301	G	23.6	Very low	28.5	Very low	75 Å²	75	148.3 Å²	148.3	77%	0.773	82%	0.823	S	S	*	*			trans	-166.2	130.7	168.2	0	0	0	0	0	114.2
302	Y	25.7	Very low	28.3	Very low	237 Å²	237	151 Å²	151	93%	0.929	83%	0.826	S	S	*	*			trans	-39.9	147	177.7	-78.1	-98.3	0	0	0	118.6
303	G	27	Very low	28.5	Very low	60 Å²	60	154 Å²	154	62%	0.619	83%	0.827	S	S	*	*			trans	-89.1	-180	143.9	0	0	0	0	0	111.2
304	P	39.3	Very low	28.5	Very low	114 Å²	114	157 Å²	157	74%	0.74	83%	0.828	S	S	*	*			cis	-133.6	-162.6	30.1	43	-26.5	0	0	0	114.6
305	S	30	Very low	28.7	Very low	116 Å²	116	159.9 Å²	159.9	81%	0.811	84%	0.835	S	S	*	*			trans	-59.5	140	176.5	50.9	0	0	0	0	115.1
306	F	28.4	Very low	28.8	Very low	198 Å²	198	158.3 Å²	158.3	87%	0.868	84%	0.835	S	S	*	*			trans	-106	136.2	164.9	-88.5	-93.6	0	0	0	111.6
307	N	29.9	Very low	29.1	Very low	162 Å²	162	162.2 Å²	162.2	87%	0.866	84%	0.842	S	S	*	*			trans	-86.2	137.1	166.1	-91.3	-42.5	0	0	0	110.1	R309	N307-R309 PolarHBondContact O-N 2.75Å
308	T	28	Very low	29.2	Very low	147 Å²	147	153.8 Å²	153.8	90%	0.902	83%	0.831	S	S	*	*			trans	-79.4	98.3	-178.4	42	0	0	0	0	112.4
309	R	35.6	Very low	29.3	Very low	247 Å²	247	158.6 Å²	158.6	93%	0.932	84%	0.842	S	S	*	*			trans	-140.2	48.9	162.1	-159.6	-176	176	158	1.5	112.4	N307	N307-R309 PolarHBondContact O-N 2.75Å
310	Q	29.8	Very low	28.8	Very low	180 Å²	180	157 Å²	157	84%	0.841	85%	0.846	S	S	*	*			trans	-146.9	92	176	-166.9	175.3	21.8	0	0	112.2
311	L	28.1	Very low	29.7	Very low	174 Å²	174	153.9 Å²	153.9	91%	0.911	84%	0.836	S	S	*	*	S	Bend	trans	-153.4	88.7	160.6	-98.6	-179.4	0	0	0	108.3
312	M	28	Very low	29.9	Very low	190 Å²	190	162 Å²	162	94%	0.936	84%	0.843	S	S	*	*	S	Bend	trans	148.6	61.2	160.6	-81.9	-83.5	-79.6	0	0	111.5
313	E	28.5	Very low	30	Very low	183 Å²	183	154.3 Å²	154.3	86%	0.855	84%	0.836	S	S	*	*			trans	-155.8	100.4	154.6	-147	172.9	-174.6	0	0	111.5
314	I	28	Very low	30.4	Very low	161 Å²	161	157.7 Å²	157.7	83%	0.826	85%	0.847	S	S	*	*			trans	-138.5	141.7	164	-62.4	-177.3	0	0	0	106.3
315	L	27.8	Very low	29.8	Very low	160 Å²	160	157.5 Å²	157.5	84%	0.838	85%	0.848	S	S	*	*			trans	93.8	78.2	-177.4	-54.4	177.6	0	0	0	116.6
316	S	29.1	Very low	30.6	Very low	109 Å²	109	157.5 Å²	157.5	76%	0.762	85%	0.846	S	S	*	*				178.6	105.1	114.7	-82.2	0	0	0	0	115.1
317	R	30.8	Very low	30.5	Very low	256 Å²	256	155.1 Å²	155.1	97%	0.966	85%	0.847	S	S	*	*			trans	63	162.9	153.2	-57	177.8	179.8	-170.3	-2	116.2
318	G	26.4	Very low	30.4	Very low	67 Å²	67	151.1 Å²	151.1	69%	0.691	84%	0.844	S	S	*	*			cis	170.8	119.9	-12.6	0	0	0	0	0	111.5
319	E	27.7	Very low	30.3	Very low	207 Å²	207	150.1 Å²	150.1	97%	0.967	83%	0.833	S	S	*	*			trans	47.4	124.7	158.5	-59.2	-176.3	107.9	0	0	121.6
320	G	28.2	Very low	30.1	Very low	77 Å²	77	148.7 Å²	148.7	79%	0.794	83%	0.828	S	S	*	*				123.9	128.3	129.6	0	0	0	0	0	117.5
321	P	43.3	Very low	29.9	Very low	112 Å²	112	143.9 Å²	143.9	73%	0.727	83%	0.827	S	S	*	*			trans	-128.7	165	-173.2	40.5	-26.8	0	0	0	116.4
322	R	28.4	Very low	29.9	Very low	245 Å²	245	139.1 Å²	139.1	93%	0.925	82%	0.819	S	S	*	*				154.9	150.4	128.5	-84.1	163.1	-151.5	-110.2	6.3	113.6
323	G	27.4	Very low	30	Very low	75 Å²	75	137.1 Å²	137.1	77%	0.773	81%	0.808	S	S	*	*			trans	115.7	138.4	141.4	0	0	0	0	0	117.1
324	P	35.4	Very low	30	Very low	131 Å²	131	138.4 Å²	138.4	85%	0.851	81%	0.805	S	S	*	*			trans	-114.8	175.1	-175	41.7	-32.1	0	0	0	116.3
325	S	27.6	Very low	29.8	Very low	110 Å²	110	139.3 Å²	139.3	77%	0.769	80%	0.803	S	S	*	*			trans	-64.2	-172	176.8	-26.7	0	0	0	0	115.1
326	P	46.6	Very low	29.8	Very low	117 Å²	117	138.3 Å²	138.3	76%	0.76	80%	0.799	S	S	*	*			cis	-137.7	-169.2	-3.3	40.6	-20.8	0	0	0	115.1
327	V	26.9	Very low	29.9	Very low	148 Å²	148	140.4 Å²	140.4	90%	0.897	80%	0.796	S	S	*	*			trans	156.1	139.7	136.3	158.8	0	0	0	0	111.9
328	G	26.1	Very low	29.6	Very low	78 Å²	78	131.7 Å²	131.7	80%	0.804	79%	0.786	S	S	*	*			trans	167.4	112	168.6	0	0	0	0	0	113.6
329	D	26	Very low	29.9	Very low	126 Å²	126	136.2 Å²	136.2	67%	0.674	79%	0.794	S	S	*	*			trans	-117.5	148.1	-172.2	173.9	41.2	0	0	0	112.4
330	R	31.5	Very low	29.8	Very low	216 Å²	216	129.6 Å²	129.6	82%	0.815	78%	0.781	S	S	*	*				139.4	119.4	120.9	-168.4	152.9	-70.3	-139.9	-6.4	119.5
331	G	26.7	Very low	29.8	Very low	80 Å²	80	131.2 Å²	131.2	83%	0.825	78%	0.78	S	S	*	*			trans	92.4	142.5	145.2	0	0	0	0	0	117.5
332	G	26.9	Very low	29.1	Very low	73 Å²	73	131.3 Å²	131.3	75%	0.753	78%	0.784	S	S	*	*			cis	160.2	169.5	-1.3	0	0	0	0	0	110.4
333	Q	31.6	Very low	29.1	Very low	149 Å²	149	126.3 Å²	126.3	70%	0.696	78%	0.781	S	S	*	*			cis	-158.4	166.8	-1.1	-50.8	174	37.1	0	0	110.3
334	R	26.7	Very low	29	Very low	210 Å²	210	126.6 Å²	126.6	79%	0.792	78%	0.783	S	S	*	*			trans	73.6	121.9	156.5	-65.3	160.2	-160	-133.4	0.4	117.6
335	F	25.5	Very low	28.5	Very low	180 Å²	180	126.3 Å²	126.3	79%	0.789	78%	0.784	S	S	*	*				71.5	140	73.3	-87.5	-101.3	0	0	0	113.3
336	N	26.4	Very low	28.4	Very low	139 Å²	139	126.1 Å²	126.1	74%	0.743	78%	0.783	S	S	*	*			cis	-148.9	-167.3	31.4	-157.6	1.4	0	0	0	114.9
337	Q	31.5	Very low	27.6	Very low	152 Å²	152	130.8 Å²	130.8	71%	0.71	79%	0.786	S	S	*	*			trans	-95.5	165	-161.5	-58.1	157.1	19.3	0	0	117.3
338	G	23.9	Very low	27.8	Very low	73 Å²	73	132.2 Å²	132.2	75%	0.753	79%	0.785	S	S	*	*			trans	-146.2	153.3	164	0	0	0	0	0	110.7
339	L	32.7	Very low	27.6	Very low	163 Å²	163	136 Å²	136	85%	0.853	79%	0.787	S	S	*	*			trans	-151	133.4	-163.3	-93.3	157.6	0	0	0	117
340	G	25.6	Very low	28	Very low	68 Å²	68	138.7 Å²	138.7	70%	0.701	80%	0.795	S	S	*	*			trans	76.4	172.1	151.1	0	0	0	0	0	118.9
341	S	28.5	Very low	27.7	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	79%	0.791	S	S	*	*			cis	-172.8	134.3	-16.2	-93.6	0	0	0	0	112.3
342	S	29.4	Very low	28	Very low	115 Å²	115	137.4 Å²	137.4	80%	0.804	79%	0.793	S	S	*	*			trans	54.8	173.3	151.3	73.1	0	0	0	0	119.5
343	T	27.2	Very low	27.9	Very low	140 Å²	140	137.8 Å²	137.8	86%	0.859	80%	0.796	S	S	*	*			cis	-138.4	165.4	-3.6	44.1	0	0	0	0	110.7
344	G	25.4	Very low	27.6	Very low	81 Å²	81	139.5 Å²	139.5	84%	0.835	80%	0.802	S	S	*	*			trans	173.1	148.6	167.6	0	0	0	0	0	113.1
345	S	24.8	Very low	27.7	Very low	124 Å²	124	136 Å²	136	87%	0.867	80%	0.803	S	S	*	*			trans	-158.1	135.4	-172.4	179.9	0	0	0	0	114.8
346	S	25.8	Very low	27.8	Very low	107 Å²	107	130.2 Å²	130.2	75%	0.748	80%	0.795	S	S	*	*			trans	-176.2	112.4	139.2	-178.3	0	0	0	0	114.7
347	R	29.8	Very low	28.5	Very low	214 Å²	214	127.3 Å²	127.3	81%	0.808	79%	0.786	S	S	*	*			trans	36.4	119.1	138.4	-60.1	-178.8	176.2	166.5	-0.4	122.8
348	M	31	Very low	28.6	Very low	178 Å²	178	125.3 Å²	125.3	88%	0.877	79%	0.788	S	S	*	*				66.9	115.8	128	85.2	-157.3	-170.5	0	0	122.2
349	D	23.5	Very low	29.6	Very low	159 Å²	159	128.7 Å²	128.7	85%	0.85	79%	0.788	S	S	*	*				-148.4	160.7	113.1	-173	36.1	0	0	0	109.2
350	E	33	Very low	30.6	Very low	181 Å²	181	124.9 Å²	124.9	85%	0.846	77%	0.766	S	S	*	*			trans	-136.7	99.4	-176.1	-170.4	-176.8	153.4	0	0	112.3
351	S	26.1	Very low	32.1	Very low	104 Å²	104	130.5 Å²	130.5	73%	0.727	77%	0.774	S	S	*	*			trans	-158.3	145.2	165.3	-104.1	0	0	0	0	115.6
352	L	31.7	Very low	33.7	Very low	166 Å²	166	126.1 Å²	126.1	87%	0.869	74%	0.742	S	S	*	*			trans	49.9	77.7	162.1	-67	167.3	0	0	0	116	F354	L352-F354 PolarHBondContact O-N 3.21Å
353	G	25.4	Very low	35	Very low	80 Å²	80	127 Å²	127	83%	0.825	73%	0.734	S	S	*	*			trans	-64.5	87.9	170.7	0	0	0	0	0	113.6	V355	G353-V355 PolarHBondContact O-N 3.47Å
354	F	26	Very low	36.1	Very low	186 Å²	186	122.3 Å²	122.3	82%	0.816	71%	0.707	S	S	*	*			trans	-66.4	120.3	155.7	-172	-91.4	0	0	0	107.9	L352 G356	L352-F354 PolarHBondContact O-N 3.21Å; F354-G356 PolarHBondContact O-N 3Å
355	V	29.3	Very low	37.5	Very low	135 Å²	135	120.8 Å²	120.8	82%	0.818	68%	0.679	S	S	*	*			trans	-65	106.4	-178.3	-179.9	0	0	0	0	108.6	G353 S357	G353-V355 PolarHBondContact O-N 3.47Å; V355-S357 PolarHBondContact O-N 3.49Å
356	G	27.5	Very low	38.8	Very low	59 Å²	59	123.1 Å²	123.1	61%	0.608	67%	0.669	S	S	*	*			trans	-64.7	127.1	-172.8	0	0	0	0	0	112.2	F354 S358	F354-G356 PolarHBondContact O-N 3Å; G356-S358 PolarHBondContact O-N 3.07Å; G356-S358 VanDerWaalsContact O-N 3.13Å
357	S	39.7	Very low	39.9	Very low	79 Å²	79	123.9 Å²	123.9	55%	0.552	66%	0.664	S	S	*	*			trans	-56.1	116.8	164.7	-78.4	0	0	0	0	109.1	V355 I359 E404	V355-S357 PolarHBondContact O-N 3.49Å; S357-I359 PolarHBondContact O-N 2.8Å; S357-E404 WeakPolarHBondContact CB-OE1 3.33Å; S357-E404 PolarHBondContact OG-OE1 3.43Å
358	S	35.3	Very low	40.5	Very low	110 Å²	110	116.2 Å²	116.2	77%	0.769	65%	0.652	S	S	*	*			trans	-67.9	100	178.1	-172.5	0	0	0	0	108.7	G356 M360	G356-S358 PolarHBondContact O-N 3.07Å; G356-S358 VanDerWaalsContact O-N 3.13Å; S358-M360 PolarHBondContact O-N 2.92Å
359	I	43.7	Very low	41	Very low	144 Å²	144	116.8 Å²	116.8	74%	0.738	65%	0.652	S	S	*	*			trans	-76.7	78.9	-172.8	-161.9	167.4	0	0	0	110.3	S357 E361	S357-I359 PolarHBondContact O-N 2.8Å; I359-E361 PolarHBondContact O-N 3.37Å
360	M	53.8	Low	42.1	Very low	82 Å²	82	117.5 Å²	117.5	40%	0.404	66%	0.656	S	S	.	*			trans	-60	127.8	-177.1	-167.6	173.4	60.1	0	0	110.6	S358 I362 P382 F383 I398	S358-M360 PolarHBondContact O-N 2.92Å; M360-I362 PolarHBondContact O-N 3.42Å; M360-P382 HydrophobicContact CE-CG 3.53Å; M360-P382 HydrophobicContact SD-CG 4.37Å; M360-F383 HydrophobicContact CE-CD2 4.45Å; M360-F383 HydrophobicContact CE-CE2 3.49Å; M360-F383 VanDerWaalsContact CE-CE2 3.49Å; M360-F383 HydrophobicContact CE-CZ 3.64Å; M360-F383 HydrophobicContact SD-CE2 4.47Å; M360-F383 HydrophobicContact SD-CZ 4.01Å; M360-I398 HydrophobicContact CE-CD1 4.39Å; M360-I398 HydrophobicContact CE-CG2 3.99Å
361	E	56.6	Low	42.6	Very low	186 Å²	186	115.4 Å²	115.4	87%	0.869	66%	0.656	S	S	*	*			trans	-74.8	122.3	-168.2	-168.4	159.2	-144	0	0	111.4	I359 Q363	I359-E361 PolarHBondContact O-N 3.37Å; E361-Q363 PolarHBondContact O-N 3Å; E361-Q363 VanDerWaalsContact O-N 3.07Å
362	I	63.4	Low	43.8	Very low	18 Å²	18	113.7 Å²	113.7	9%	0.092	65%	0.654	C	S	.	*			trans	-79.3	98.9	-173.8	-64.7	173.6	0	0	0	109.7	M360 S364 H379 K391 M394 K395 I398	M360-I362 PolarHBondContact O-N 3.42Å; I362-S364 PolarHBondContact O-N 3.43Å; I362-S364 PolarHBondContact O-OG 3.34Å; I362-H379 HydrophobicContact CG2-CB 3.81Å; I362-K391 HydrophobicContact CD1-CG 4.07Å; I362-M394 HydrophobicContact CD1-CB 4.2Å; I362-M394 HydrophobicContact CD1-CG 4.01Å; I362-M394 HydrophobicContact CG1-CG 4.29Å; I362-M394 HydrophobicContact CG2-CB 4.24Å; I362-M394 HydrophobicContact CG2-CG 3.62Å; I362-K395 HydrophobicContact CD1-CB 4.31Å; I362-K395 HydrophobicContact CD1-CG 3.46Å; I362-K395 VanDerWaalsContact CD1-CG 3.46Å; I362-I398 HydrophobicContact CD1-CD1 4.19Å; I362-I398 HydrophobicContact CG1-CD1 3.91Å
363	Q	56	Low	44.8	Very low	135 Å²	135	112.9 Å²	112.9	63%	0.631	65%	0.651	S	S	*	*			trans	-57.8	135.8	173.6	-170.1	170.6	-17.6	0	0	111	E361 D365 K380	E361-Q363 PolarHBondContact O-N 3Å; E361-Q363 VanDerWaalsContact O-N 3.07Å; Q363-D365 WeakPolarHBondContact CG-OD1 3.42Å; Q363-D365 PolarHBondContact NE2-OD1 2.75Å; Q363-K380 PolarHBondContact O-N 3.22Å
364	S	50.1	Low	46	Very low	41 Å²	41	119.4 Å²	119.4	29%	0.287	65%	0.652	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.5	97.9	-167.9	-56.9	0	0	0	0	108.7	I362 H379	I362-S364 PolarHBondContact O-N 3.43Å; I362-S364 PolarHBondContact O-OG 3.34Å; S364-H379 PolarHBondContact OG-CE1 2.95Å; S364-H379 PolarHBondContact OG-ND1 3.23Å
365	D	54.5	Low	47.3	Very low	48 Å²	48	116.9 Å²	116.9	26%	0.257	65%	0.646	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.5	137.7	-175.6	-55.8	-23.4	0	0	0	110.2	Q363 K380	Q363-D365 WeakPolarHBondContact CG-OD1 3.42Å; Q363-D365 PolarHBondContact NE2-OD1 2.75Å; D365-K380 HydrophobicContact CB-CD 4.49Å; D365-K380 WeakPolarHBondContact OD2-CD 3.34Å; D365-K380 VanDerWaalsContact OD2-CE 3.3Å; D365-K380 WeakPolarHBondContact OD2-CE 3.38Å; D365-K380 IonicContact OD2-NZ 3.49Å; D365-K380 PolarHBondContact OD2-NZ 3.02Å
366	W	52	Low	48.6	Very low	173 Å²	173	114.9 Å²	114.9	66%	0.655	63%	0.63	S	S	*	*			trans	-79.5	120.3	167.1	-56.8	99.7	0	0	0	109.1	L375 K377	W366-L375 HydrophobicContact CZ3-CB 4.46Å; W366-K377 HydrophobicContact CE3-CB 4.23Å; W366-K377 HydrophobicContact CE3-CG 4.28Å; W366-K377 HydrophobicContact CH2-CB 4.07Å; W366-K377 HydrophobicContact CH2-CD 3.83Å; W366-K377 HydrophobicContact CH2-CG 4.08Å; W366-K377 HydrophobicContact CZ2-CD 3.99Å; W366-K377 HydrophobicContact CZ2-CG 4.39Å; W366-K377 HydrophobicContact CZ3-CB 3.71Å; W366-K377 HydrophobicContact CZ3-CD 4.28Å; W366-K377 HydrophobicContact CZ3-CG 4.01Å
367	L	50.4	Low	50.5	Low	123 Å²	123	116.6 Å²	116.6	64%	0.644	62%	0.621	S	S	*	*			trans	-99.7	110.6	165.3	-92.5	152	0	0	0	107
368	G	40.9	Very low	52.3	Low	53 Å²	53	114.9 Å²	114.9	55%	0.546	61%	0.605	S	S	.	*			trans	-110.8	124.6	174.3	0	0	0	0	0	110.1
369	E	42.6	Very low	54.4	Low	190 Å²	190	110.4 Å²	110.4	89%	0.888	57%	0.572	S	S	*	*			trans	-116.1	126.8	154.4	-72	179.7	107.5	0	0	105.7	T371	E369-T371 PolarHBondContact O-N 3.29Å
370	D	46.9	Very low	56.1	Low	175 Å²	175	106.9 Å²	106.9	94%	0.936	55%	0.552	S	S	*	*	S	Bend	trans	-75.4	87	-166.5	-71.5	-51.5	0	0	0	112
371	T	43	Very low	57.4	Low	136 Å²	136	103.6 Å²	103.6	83%	0.834	54%	0.537	S	S	*	.	S	Bend	trans	-141.5	139.8	161.8	-49.6	0	0	0	0	108.9	E369	E369-T371 PolarHBondContact O-N 3.29Å
372	G	51.6	Low	58.6	Low	68 Å²	68	98.8 Å²	98.8	70%	0.701	52%	0.521	S	S	*	.	S	Bend	trans	-68.4	138.2	-153.1	0	0	0	0	0	117.3
373	N	52.9	Low	59.2	Low	149 Å²	149	103 Å²	103	80%	0.797	54%	0.539	S	S	*	.	S	Bend	trans	80.4	138.8	166.1	-57.1	-17.9	0	0	0	117.7
374	Y	50.2	Low	60.5	Low	217 Å²	217	98.2 Å²	98.2	85%	0.851	52%	0.521	S	S	*	.			trans	68.1	75.2	-178.4	-59.4	-77.1	0	0	0	117.5	I376	Y374-I376 PolarHBondContact O-N 2.83Å
375	L	53.4	Low	61.9	Low	133 Å²	133	102.8 Å²	102.8	70%	0.696	55%	0.549	S	S	*	.			trans	-67.7	87.2	165.5	-71.1	172.6	0	0	0	112	W366 K377	W366-L375 HydrophobicContact CZ3-CB 4.46Å; L375-K377 PolarHBondContact O-N 3.06Å; L375-K377 VanDerWaalsContact O-N 3.14Å
376	I	57.2	Low	63.1	Low	94 Å²	94	102 Å²	102	48%	0.482	54%	0.543	S	S	.	.			trans	-73.9	105.7	175.7	-57.3	178.1	0	0	0	110.1	Y374 L378 K389	Y374-I376 PolarHBondContact O-N 2.83Å; I376-L378 PolarHBondContact O-N 2.98Å; I376-K389 HydrophobicContact CG2-CD 4.11Å; I376-K389 HydrophobicContact CG2-CG 3.95Å
377	K	65.8	Low	64.4	Low	95 Å²	95	96 Å²	96	41%	0.413	53%	0.525	S	S	.	.			trans	-59	133	172.6	-166.6	175.5	-175.9	175.1	0	110.8	W366 L375	W366-K377 HydrophobicContact CE3-CB 4.23Å; W366-K377 HydrophobicContact CE3-CG 4.28Å; W366-K377 HydrophobicContact CH2-CB 4.07Å; W366-K377 HydrophobicContact CH2-CD 3.83Å; W366-K377 HydrophobicContact CH2-CG 4.08Å; W366-K377 HydrophobicContact CZ2-CD 3.99Å; W366-K377 HydrophobicContact CZ2-CG 4.39Å; W366-K377 HydrophobicContact CZ3-CB 3.71Å; W366-K377 HydrophobicContact CZ3-CD 4.28Å; W366-K377 HydrophobicContact CZ3-CG 4.01Å; L375-K377 PolarHBondContact O-N 3.06Å; L375-K377 VanDerWaalsContact O-N 3.14Å
378	L	77.3	Confident	65.9	Low	42 Å²	42	90.1 Å²	90.1	22%	0.22	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.8	-176.9	-73.1	158.2	0	0	0	110.2	I376 A388 K389	I376-L378 PolarHBondContact O-N 2.98Å; L378-A388 WeakPolarHBondContact CA-O 3.22Å; L378-A388 VanDerWaalsContact CD2-O 3.32Å; L378-A388 WeakPolarHBondContact CD2-O 3.45Å; L378-K389 HydrophobicContact CD2-CG 4.01Å
379	H	80.8	Confident	67.7	Low	17 Å²	17	93.1 Å²	93.1	8%	0.079	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	143	171.5	-58.4	-73.4	0	0	0	109.3	I362 S364 T387 A388 Q390 K391 M394	I362-H379 HydrophobicContact CG2-CB 3.81Å; S364-H379 PolarHBondContact OG-CE1 2.95Å; S364-H379 PolarHBondContact OG-ND1 3.23Å; H379-T387 CarbonylContact O-C 3.58Å; H379-T387 WeakPolarHBondContact O-CA 3.37Å; H379-T387 WeakPolarHBondContact O-CB 3.49Å; H379-A388 PolarHBondContact N-O 2.97Å; H379-A388 PolarHBondContact O-N 2.89Å; H379-Q390 VanDerWaalsContact CD2-C 3.44Å; H379-K391 PolarHBondContact CD2-N 2.94Å; H379-K391 PolarHBondContact NE2-N 3.2Å; H379-M394 HydrophobicContact CB-CB 3.93Å; H379-M394 HydrophobicContact CB-CG 4.02Å
380	K	78.2	Confident	69.4	Low	70 Å²	70	90.2 Å²	90.2	30%	0.304	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145	178.8	-60.5	-179.2	-176	167.1	0	110.7	Q363 D365 T387	Q363-K380 PolarHBondContact O-N 3.22Å; D365-K380 HydrophobicContact CB-CD 4.49Å; D365-K380 WeakPolarHBondContact OD2-CD 3.34Å; D365-K380 VanDerWaalsContact OD2-CE 3.3Å; D365-K380 WeakPolarHBondContact OD2-CE 3.38Å; D365-K380 IonicContact OD2-NZ 3.49Å; D365-K380 PolarHBondContact OD2-NZ 3.02Å; K380-T387 HydrophobicContact CG-CG2 4.13Å
381	C	82.5	Confident	70.9	Confident	13 Å²	13	86.7 Å²	86.7	9%	0.088	46%	0.455	C	S	.	.			trans	-79.8	132.3	170.7	-179.9	0	0	0	0	109.6	F383 C384 Y386 M394 H397 H401	C381-F383 PolarHBondContact O-N 3.06Å; C381-F383 PolarHBondContact SG-N 3.15Å; C381-F383 VanDerWaalsContact SG-N 3.41Å; C381-C384 WeakPolarHBondContact CB-O 3.47Å; C381-Y386 WeakPolarHBondContact CB-O 3.12Å; C381-Y386 PolarHBondContact N-O 3.11Å; C381-M394 HydrophobicContact CB-CE 3.96Å; C381-M394 HydrophobicContact CB-SD 3.79Å; C381-H397 VanDerWaalsContact SG-CD2 3.53Å; C381-H397 PolarHBondContact SG-NE2 3.26Å; C381-H401 PolarHBondContact SG-NE2 3.36Å
382	P	80.3	Confident	72.5	Confident	84 Å²	84	82.3 Å²	82.3	55%	0.545	44%	0.437	S	S	.	.	S	Bend	trans	-74.4	-10.9	177.1	29.5	-34.6	0	0	0	113.7	M360	M360-P382 HydrophobicContact CE-CG 3.53Å; M360-P382 HydrophobicContact SD-CG 4.37Å
383	F	77.8	Confident	73.8	Confident	106 Å²	106	80.6 Å²	80.6	47%	0.465	41%	0.411	S	S	.	.	S	Bend	trans	-109.5	-15.4	-173.8	-56.8	-57.1	0	0	0	114.7	M360 C381 I398 H401	M360-F383 HydrophobicContact CE-CD2 4.45Å; M360-F383 HydrophobicContact CE-CE2 3.49Å; M360-F383 VanDerWaalsContact CE-CE2 3.49Å; M360-F383 HydrophobicContact CE-CZ 3.64Å; M360-F383 HydrophobicContact SD-CE2 4.47Å; M360-F383 HydrophobicContact SD-CZ 4.01Å; C381-F383 PolarHBondContact O-N 3.06Å; C381-F383 PolarHBondContact SG-N 3.15Å; C381-F383 VanDerWaalsContact SG-N 3.41Å; F383-I398 HydrophobicContact CE2-CG2 4.49Å; F383-H401 HydrophobicContact CB-CB 4.26Å; F383-H401 WeakPolarHBondContact CB-ND1 3.1Å; F383-H401 HydrophobicContact CD2-CB 3.33Å; F383-H401 AromaticContact CD2-CD2 3.92Å; F383-H401 AromaticContact CD2-CG 3.53Å; F383-H401 HydrophobicContact CE2-CB 3.8Å; F383-H401 HydrophobicContact CG-CB 3.99Å; F383-H401 AromaticContact CG-CG 3.93Å
384	C	82.9	Confident	75.2	Confident	36 Å²	36	73.5 Å²	73.5	24%	0.243	37%	0.373	C	S	.	.	S	Bend	trans	-159.5	166.7	-177.1	78.9	0	0	0	0	110.9	C381 Y386 H397 H401	C381-C384 WeakPolarHBondContact CB-O 3.47Å; C384-Y386 PolarHBondContact O-N 2.75Å; C384-Y386 VanDerWaalsContact SG-CB 3.57Å; C384-H397 PolarHBondContact SG-NE2 3.4Å; C384-H401 WeakPolarHBondContact CB-CE1 3.24Å; C384-H401 VanDerWaalsContact SG-CE1 3.51Å; C384-H401 PolarHBondContact SG-NE2 2.86Å
385	P	78.7	Confident	76.6	Confident	136 Å²	136	68.1 Å²	68.1	88%	0.883	35%	0.354	S	S	*	.	S	Bend	trans	-71.6	9.5	-175.5	30.3	-36.6	0	0	0	115.2
386	Y	79.3	Confident	77.8	Confident	33 Å²	33	66 Å²	66	13%	0.129	34%	0.337	C	S	.	.			trans	-69	146	177.7	-177	-106.4	0	0	0	112.5	K252 I253 C381 C384 A388 I393 M394 H397	K252-Y386 HydrophobicContact CG-CE2 4.28Å; I253-Y386 WeakPolarHBondContact O-CE2 3.32Å; C381-Y386 WeakPolarHBondContact CB-O 3.12Å; C381-Y386 PolarHBondContact N-O 3.11Å; C384-Y386 PolarHBondContact O-N 2.75Å; C384-Y386 VanDerWaalsContact SG-CB 3.57Å; Y386-A388 HydrophobicContact CE1-CB 3.8Å; Y386-I393 HydrophobicContact CE1-CG2 4.43Å; Y386-I393 VanDerWaalsContact OH-CG2 3.28Å; Y386-I393 WeakPolarHBondContact OH-CG2 3.21Å; Y386-M394 HydrophobicContact CD1-CE 3.7Å; Y386-M394 HydrophobicContact CE1-CE 4.07Å; Y386-H397 HydrophobicContact CD1-CB 4.02Å; Y386-H397 AromaticContact CD1-CD2 3.5Å; Y386-H397 VanDerWaalsContact CD1-CD2 3.5Å; Y386-H397 WeakPolarHBondContact CD1-CD2 3.5Å; Y386-H397 AromaticContact CD1-CE1 3.6Å; Y386-H397 AromaticContact CD1-CG 3.34Å; Y386-H397 AromaticContact CD1-ND1 3.42Å; Y386-H397 WeakPolarHBondContact CD1-ND1 3.36Å; Y386-H397 AromaticContact CD1-NE2 3.67Å; Y386-H397 HydrophobicContact CE1-CB 3.77Å; Y386-H397 AromaticContact CE1-CG 3.6Å; Y386-H397 AromaticContact CE1-ND1 3.76Å; Y386-H397 AromaticContact CG-CE1 3.68Å; Y386-H397 AromaticContact CG-ND1 3.84Å; Y386-H397 AromaticContact CG-NE2 3.95Å
387	T	80.9	Confident	78.9	Confident	45 Å²	45	62 Å²	62	28%	0.276	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.9	176.8	59.4	0	0	0	0	111.8	K252 H379 K380	K252-T387 WeakPolarHBondContact CD-O 3.2Å; K252-T387 WeakPolarHBondContact CE-O 3.39Å; K252-T387 WeakPolarHBondContact CG-O 3.43Å; K252-T387 PolarHBondContact NZ-O 3.4Å; K252-T387 PolarHBondContact NZ-OG1 3.26Å; H379-T387 CarbonylContact O-C 3.58Å; H379-T387 WeakPolarHBondContact O-CA 3.37Å; H379-T387 WeakPolarHBondContact O-CB 3.49Å; K380-T387 HydrophobicContact CG-CG2 4.13Å
388	A	80.9	Confident	79.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	147.8	165.6	0	0	0	0	0	112.9	K252 L378 H379 Y386 I393 M394	K252-A388 VanDerWaalsContact CE-C 3.47Å; K252-A388 HydrophobicContact CG-CB 3.9Å; L378-A388 WeakPolarHBondContact CA-O 3.22Å; L378-A388 VanDerWaalsContact CD2-O 3.32Å; L378-A388 WeakPolarHBondContact CD2-O 3.45Å; H379-A388 PolarHBondContact N-O 2.97Å; H379-A388 PolarHBondContact O-N 2.89Å; Y386-A388 HydrophobicContact CE1-CB 3.8Å; A388-I393 HydrophobicContact CB-CB 3.84Å; A388-I393 HydrophobicContact CB-CG2 3.49Å; A388-I393 VanDerWaalsContact CB-CG2 3.49Å; A388-M394 HydrophobicContact CB-CE 4.35Å
389	K	77.9	Confident	79.8	Confident	116 Å²	116	59.2 Å²	59.2	50%	0.504	30%	0.301	S	S	.	.	S	Bend	trans	-91.2	-41.7	150.8	-94.6	-174.5	-173.6	-168.7	0	110	K252 I376 L378	K252-K389 VanDerWaalsContact CE-N 3.33Å; I376-K389 HydrophobicContact CG2-CD 4.11Å; I376-K389 HydrophobicContact CG2-CG 3.95Å; L378-K389 HydrophobicContact CD2-CG 4.01Å
390	Q	79.4	Confident	79.6	Confident	129 Å²	129	59.8 Å²	59.8	60%	0.603	31%	0.307	S	S	*	.	S	Bend	trans	-102.9	149.7	175.2	-67.1	170.4	-22.1	0	0	111.8	H379 G392 I393 M394	H379-Q390 VanDerWaalsContact CD2-C 3.44Å; Q390-G392 VanDerWaalsContact C-N 3.31Å; Q390-G392 PolarHBondContact O-N 2.84Å; Q390-I393 HydrophobicContact CB-CD1 4.2Å; Q390-I393 HydrophobicContact CB-CG1 4.28Å; Q390-I393 PolarHBondContact O-N 2.66Å; Q390-M394 PolarHBondContact O-N 3.34Å
391	K	77.4	Confident	79.5	Confident	102 Å²	102	60.9 Å²	60.9	44%	0.443	31%	0.313	S	S	.	.	H	α-helix	trans	-65.4	-32.2	177.3	-163.8	172.4	-175.8	174.7	0	112.6	I362 H379 M394 K395	I362-K391 HydrophobicContact CD1-CG 4.07Å; H379-K391 PolarHBondContact CD2-N 2.94Å; H379-K391 PolarHBondContact NE2-N 3.2Å; K391-M394 PolarHBondContact O-N 3.01Å; K391-K395 WeakPolarHBondContact O-CG 3.34Å; K391-K395 PolarHBondContact O-N 3.38Å
392	G	77.1	Confident	79.2	Confident	43 Å²	43	63.5 Å²	63.5	44%	0.443	33%	0.328	S	S	.	.	H	α-helix	trans	-62.6	-47.6	177	0	0	0	0	0	113.2	Q390 M394 K395 R396	Q390-G392 VanDerWaalsContact C-N 3.31Å; Q390-G392 PolarHBondContact O-N 2.84Å; G392-M394 VanDerWaalsContact C-N 3.33Å; G392-M394 PolarHBondContact O-N 3.43Å; G392-K395 WeakPolarHBondContact O-CB 3.28Å; G392-K395 PolarHBondContact O-N 3.42Å; G392-R396 PolarHBondContact O-N 3.18Å
393	I	78.6	Confident	78.9	Confident	33 Å²	33	61.9 Å²	61.9	17%	0.169	33%	0.327	C	S	.	.	H	α-helix	trans	-62.1	-39.9	175	-59.2	173.4	0	0	0	110.4	E254 Y386 A388 Q390 R396 H397	E254-I393 HydrophobicContact CB-CG2 4.44Å; E254-I393 HydrophobicContact CG-CG2 4.47Å; Y386-I393 HydrophobicContact CE1-CG2 4.43Å; Y386-I393 VanDerWaalsContact OH-CG2 3.28Å; Y386-I393 WeakPolarHBondContact OH-CG2 3.21Å; A388-I393 HydrophobicContact CB-CB 3.84Å; A388-I393 HydrophobicContact CB-CG2 3.49Å; A388-I393 VanDerWaalsContact CB-CG2 3.49Å; Q390-I393 HydrophobicContact CB-CD1 4.2Å; Q390-I393 HydrophobicContact CB-CG1 4.28Å; Q390-I393 PolarHBondContact O-N 2.66Å; I393-R396 PolarHBondContact O-N 2.91Å; I393-H397 VanDerWaalsContact O-CB 3.28Å; I393-H397 WeakPolarHBondContact O-CB 3.43Å; I393-H397 PolarHBondContact O-N 3.11Å
394	M	82.6	Confident	78.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.2	-39.5	174.8	-175.7	51.4	61.4	0	0	112.8	I362 H379 C381 Y386 A388 Q390 K391 G392 R396 I398	I362-M394 HydrophobicContact CD1-CB 4.2Å; I362-M394 HydrophobicContact CD1-CG 4.01Å; I362-M394 HydrophobicContact CG1-CG 4.29Å; I362-M394 HydrophobicContact CG2-CB 4.24Å; I362-M394 HydrophobicContact CG2-CG 3.62Å; H379-M394 HydrophobicContact CB-CB 3.93Å; H379-M394 HydrophobicContact CB-CG 4.02Å; C381-M394 HydrophobicContact CB-CE 3.96Å; C381-M394 HydrophobicContact CB-SD 3.79Å; Y386-M394 HydrophobicContact CD1-CE 3.7Å; Y386-M394 HydrophobicContact CE1-CE 4.07Å; A388-M394 HydrophobicContact CB-CE 4.35Å; Q390-M394 PolarHBondContact O-N 3.34Å; K391-M394 PolarHBondContact O-N 3.01Å; G392-M394 VanDerWaalsContact C-N 3.33Å; G392-M394 PolarHBondContact O-N 3.43Å; M394-R396 VanDerWaalsContact C-N 3.35Å; M394-R396 PolarHBondContact O-N 3.42Å; M394-I398 HydrophobicContact CG-CD1 4Å; M394-I398 WeakPolarHBondContact O-CD1 3.17Å; M394-I398 VanDerWaalsContact O-CG1 3.26Å; M394-I398 WeakPolarHBondContact O-CG1 3.43Å; M394-I398 PolarHBondContact O-N 2.91Å; M394-I398 HydrophobicContact SD-CD1 4.06Å; M394-I398 HydrophobicContact SD-CG1 4.08Å
395	K	79	Confident	78.6	Confident	104 Å²	104	62.8 Å²	62.8	45%	0.452	33%	0.326	S	S	.	.	H	α-helix	trans	-59.1	-43.9	173.4	-78.9	-175.4	175.8	-177.3	0	112.3	I362 K391 G392 I398	I362-K395 HydrophobicContact CD1-CB 4.31Å; I362-K395 HydrophobicContact CD1-CG 3.46Å; I362-K395 VanDerWaalsContact CD1-CG 3.46Å; K391-K395 WeakPolarHBondContact O-CG 3.34Å; K391-K395 PolarHBondContact O-N 3.38Å; G392-K395 WeakPolarHBondContact O-CB 3.28Å; G392-K395 PolarHBondContact O-N 3.42Å; K395-I398 PolarHBondContact O-N 2.99Å
396	R	80.1	Confident	78.6	Confident	88 Å²	88	59 Å²	59	33%	0.332	30%	0.301	S	S	.	.	H	α-helix	trans	-71.4	-44.5	-177.8	-177.4	-160.5	-49.6	154.2	-15.5	110.4	E254 G392 I393 M394 I398 R399 R418	E254-R396 WeakPolarHBondContact OE1-CB 3.37Å; E254-R396 VanDerWaalsContact OE1-CD 3.31Å; E254-R396 WeakPolarHBondContact OE1-CD 3.3Å; E254-R396 VanDerWaalsContact OE1-CG 3.32Å; E254-R396 WeakPolarHBondContact OE1-CG 3.21Å; E254-R396 WeakPolarHBondContact OE2-CD 3.13Å; E254-R396 IonicContact OE2-CZ 3.83Å; E254-R396 IonicContact OE2-NE 3.58Å; E254-R396 IonicContact OE2-NH1 3.61Å; E254-R396 PolarHBondContact OE2-NH1 3.43Å; G392-R396 PolarHBondContact O-N 3.18Å; I393-R396 PolarHBondContact O-N 2.91Å; M394-R396 VanDerWaalsContact C-N 3.35Å; M394-R396 PolarHBondContact O-N 3.42Å; R396-I398 VanDerWaalsContact C-N 3.28Å; R396-I398 PolarHBondContact O-N 3.18Å; R396-R399 VanDerWaalsContact O-CB 3.25Å; R396-R399 WeakPolarHBondContact O-CB 3.4Å; R396-R399 PolarHBondContact O-N 2.79Å; R396-R418 HydrophobicContact CG-CG 4.5Å
397	H	80.4	Confident	78.8	Confident	9 Å²	9	59.6 Å²	59.6	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-55.5	-35.6	169.5	175.6	80.5	0	0	0	114.2	E254 C381 C384 Y386 I393 R399 C400 H401	E254-H397 HydrophobicContact CG-CB 4.39Å; E254-H397 PolarHBondContact OE1-N 2.91Å; C381-H397 VanDerWaalsContact SG-CD2 3.53Å; C381-H397 PolarHBondContact SG-NE2 3.26Å; C384-H397 PolarHBondContact SG-NE2 3.4Å; Y386-H397 HydrophobicContact CD1-CB 4.02Å; Y386-H397 AromaticContact CD1-CD2 3.5Å; Y386-H397 VanDerWaalsContact CD1-CD2 3.5Å; Y386-H397 WeakPolarHBondContact CD1-CD2 3.5Å; Y386-H397 AromaticContact CD1-CE1 3.6Å; Y386-H397 AromaticContact CD1-CG 3.34Å; Y386-H397 AromaticContact CD1-ND1 3.42Å; Y386-H397 WeakPolarHBondContact CD1-ND1 3.36Å; Y386-H397 AromaticContact CD1-NE2 3.67Å; Y386-H397 HydrophobicContact CE1-CB 3.77Å; Y386-H397 AromaticContact CE1-CG 3.6Å; Y386-H397 AromaticContact CE1-ND1 3.76Å; Y386-H397 AromaticContact CG-CE1 3.68Å; Y386-H397 AromaticContact CG-ND1 3.84Å; Y386-H397 AromaticContact CG-NE2 3.95Å; I393-H397 VanDerWaalsContact O-CB 3.28Å; I393-H397 WeakPolarHBondContact O-CB 3.43Å; I393-H397 PolarHBondContact O-N 3.11Å; H397-R399 PolarHBondContact O-N 3.49Å; H397-C400 WeakPolarHBondContact O-CB 3.45Å; H397-C400 PolarHBondContact O-N 3.33Å; H397-C400 VanDerWaalsContact O-N 3.16Å; H397-C400 PolarHBondContact O-SG 3.45Å; H397-H401 AromaticContact CD2-NE2 3.36Å; H397-H401 PolarHBondContact CD2-NE2 2.99Å; H397-H401 AromaticContact CE1-NE2 2.75Å; H397-H401 PolarHBondContact CE1-NE2 2.96Å; H397-H401 AromaticContact ND1-NE2 3.83Å; H397-H401 AromaticContact NE2-CD2 3.75Å; H397-H401 AromaticContact NE2-NE2 2.3Å; H397-H401 PolarHBondContact NE2-NE2 2.9Å
398	I	77.4	Confident	78.6	Confident	17 Å²	17	61 Å²	61	9%	0.087	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-27.9	177.2	-74.7	164.9	0	0	0	111.9	M360 I362 F383 M394 K395 R396 C400 H401 T402	M360-I398 HydrophobicContact CE-CD1 4.39Å; M360-I398 HydrophobicContact CE-CG2 3.99Å; I362-I398 HydrophobicContact CD1-CD1 4.19Å; I362-I398 HydrophobicContact CG1-CD1 3.91Å; F383-I398 HydrophobicContact CE2-CG2 4.49Å; M394-I398 HydrophobicContact CG-CD1 4Å; M394-I398 WeakPolarHBondContact O-CD1 3.17Å; M394-I398 VanDerWaalsContact O-CG1 3.26Å; M394-I398 WeakPolarHBondContact O-CG1 3.43Å; M394-I398 PolarHBondContact O-N 2.91Å; M394-I398 HydrophobicContact SD-CD1 4.06Å; M394-I398 HydrophobicContact SD-CG1 4.08Å; K395-I398 PolarHBondContact O-N 2.99Å; R396-I398 VanDerWaalsContact C-N 3.28Å; R396-I398 PolarHBondContact O-N 3.18Å; I398-C400 PolarHBondContact O-N 3.46Å; I398-H401 PolarHBondContact O-N 3.42Å; I398-T402 HydrophobicContact CG2-CG2 4Å; I398-T402 PolarHBondContact O-N 3.49Å; I398-T402 PolarHBondContact O-OG1 3.2Å
399	R	82.7	Confident	78.6	Confident	62 Å²	62	61 Å²	61	23%	0.234	32%	0.315	C	S	.	.	H	α-helix	trans	-61.4	-26.8	174.5	-58.7	178.5	-178.3	160.7	3	112.8	R396 H397 H401 T402 G403 E404 T417	R396-R399 VanDerWaalsContact O-CB 3.25Å; R396-R399 WeakPolarHBondContact O-CB 3.4Å; R396-R399 PolarHBondContact O-N 2.79Å; H397-R399 PolarHBondContact O-N 3.49Å; R399-H401 PolarHBondContact O-N 3Å; R399-T402 WeakPolarHBondContact CA-OG1 3.45Å; R399-G403 WeakPolarHBondContact O-CA 2.87Å; R399-G403 PolarHBondContact O-N 2.9Å; R399-E404 HydrophobicContact CG-CB 4.43Å; R399-T417 HydrophobicContact CB-CG2 4.12Å; R399-T417 PolarHBondContact NH1-O 3.4Å
400	C	77.4	Confident	78.4	Confident	29 Å²	29	60 Å²	60	20%	0.196	32%	0.32	C	S	.	.	H	α-helix	trans	-64.1	-28.5	175.1	-46	0	0	0	0	112.4	Y255 H397 I398	Y255-C400 HydrophobicContact CD1-CB 3.73Å; Y255-C400 HydrophobicContact CE1-CB 4.18Å; Y255-C400 PolarHBondContact O-SG 3.38Å; H397-C400 WeakPolarHBondContact O-CB 3.45Å; H397-C400 PolarHBondContact O-N 3.33Å; H397-C400 VanDerWaalsContact O-N 3.16Å; H397-C400 PolarHBondContact O-SG 3.45Å; I398-C400 PolarHBondContact O-N 3.46Å
401	H	75.6	Confident	78	Confident	93 Å²	93	57.5 Å²	57.5	43%	0.431	31%	0.309	S	S	.	.	H	α-helix	trans	-95.9	-32.7	178.8	-61.8	-82.6	0	0	0	112.7	C381 F383 C384 H397 I398 R399	C381-H401 PolarHBondContact SG-NE2 3.36Å; F383-H401 HydrophobicContact CB-CB 4.26Å; F383-H401 WeakPolarHBondContact CB-ND1 3.1Å; F383-H401 HydrophobicContact CD2-CB 3.33Å; F383-H401 AromaticContact CD2-CD2 3.92Å; F383-H401 AromaticContact CD2-CG 3.53Å; F383-H401 HydrophobicContact CE2-CB 3.8Å; F383-H401 HydrophobicContact CG-CB 3.99Å; F383-H401 AromaticContact CG-CG 3.93Å; C384-H401 WeakPolarHBondContact CB-CE1 3.24Å; C384-H401 VanDerWaalsContact SG-CE1 3.51Å; C384-H401 PolarHBondContact SG-NE2 2.86Å; H397-H401 AromaticContact CD2-NE2 3.36Å; H397-H401 PolarHBondContact CD2-NE2 2.99Å; H397-H401 AromaticContact CE1-NE2 2.75Å; H397-H401 PolarHBondContact CE1-NE2 2.96Å; H397-H401 AromaticContact ND1-NE2 3.83Å; H397-H401 AromaticContact NE2-CD2 3.75Å; H397-H401 AromaticContact NE2-NE2 2.3Å; H397-H401 PolarHBondContact NE2-NE2 2.9Å; I398-H401 PolarHBondContact O-N 3.42Å; R399-H401 PolarHBondContact O-N 3Å
402	T	76.2	Confident	78	Confident	68 Å²	68	55.4 Å²	55.4	42%	0.417	31%	0.307	S	S	.	.	H	α-helix	trans	-87	-18.1	179.1	62.9	0	0	0	0	114	I398 R399 E404	I398-T402 HydrophobicContact CG2-CG2 4Å; I398-T402 PolarHBondContact O-N 3.49Å; I398-T402 PolarHBondContact O-OG1 3.2Å; R399-T402 WeakPolarHBondContact CA-OG1 3.45Å; T402-E404 PolarHBondContact O-N 2.91Å; T402-E404 PolarHBondContact OG1-N 2.94Å
403	G	74.4	Confident	77.9	Confident	51 Å²	51	55.8 Å²	55.8	53%	0.526	31%	0.311	S	S	.	.			trans	71.7	10.9	-174.4	0	0	0	0	0	114.3	R399 R405	R399-G403 WeakPolarHBondContact O-CA 2.87Å; R399-G403 PolarHBondContact O-N 2.9Å; G403-R405 PolarHBondContact O-N 3.18Å; G403-R405 VanDerWaalsContact O-N 3.08Å
404	E	74.8	Confident	77.9	Confident	75 Å²	75	57.8 Å²	57.8	35%	0.35	32%	0.318	S	S	.	.			trans	-68	105.5	-177.9	-79.2	-168.6	133.2	0	0	112.1	S357 R399 T402 P406 T417	S357-E404 WeakPolarHBondContact CB-OE1 3.33Å; S357-E404 PolarHBondContact OG-OE1 3.43Å; R399-E404 HydrophobicContact CG-CB 4.43Å; T402-E404 PolarHBondContact O-N 2.91Å; T402-E404 PolarHBondContact OG1-N 2.94Å; E404-P406 VanDerWaalsContact C-CD 3.47Å; E404-P406 WeakPolarHBondContact O-CD 3.44Å; E404-T417 WeakPolarHBondContact O-CG2 3.42Å
405	R	80.7	Confident	77.9	Confident	85 Å²	85	64.9 Å²	64.9	32%	0.321	35%	0.345	S	S	.	.			trans	-102.4	83.3	174.7	-74.8	170.4	154.2	146	0.4	111.7	P257 D258 G403 F407 R415 F416 T417	P257-R405 PolarHBondContact O-NH2 2.83Å; D258-R405 IonicContact OD1-CZ 2.84Å; D258-R405 IonicContact OD1-NE 2.69Å; D258-R405 PolarHBondContact OD1-NE 3.49Å; D258-R405 IonicContact OD1-NH2 3.59Å; D258-R405 PolarHBondContact OD1-NH2 3.29Å; G403-R405 PolarHBondContact O-N 3.18Å; G403-R405 VanDerWaalsContact O-N 3.08Å; R405-F407 VanDerWaalsContact C-N 3.33Å; R405-F407 PolarHBondContact O-N 2.92Å; R405-R415 HydrophobicContact CB-CB 3.71Å; R405-R415 VanDerWaalsContact CD-O 3.32Å; R405-R415 WeakPolarHBondContact CD-O 3.35Å; R405-R415 VanDerWaalsContact O-CZ 3.25Å; R405-R415 PolarHBondContact O-NE 3.49Å; R405-R415 PolarHBondContact O-NH2 2.88Å; R405-F416 CarbonylContact C-O 3.54Å; R405-F416 VanDerWaalsContact CA-O 3.27Å; R405-F416 WeakPolarHBondContact CA-O 3.28Å; R405-T417 HydrophobicContact CG-CG2 3.59Å
406	P	77.7	Confident	78.1	Confident	57 Å²	57	60.9 Å²	60.9	37%	0.37	33%	0.327	S	S	.	.			trans	-71.5	-15.7	-174.5	27.2	-36.3	0	0	0	115.6	E404 P408	E404-P406 VanDerWaalsContact C-CD 3.47Å; E404-P406 WeakPolarHBondContact O-CD 3.44Å; P406-P408 WeakPolarHBondContact O-CD 3.28Å
407	F	84.1	Confident	78.1	Confident	45 Å²	45	56.7 Å²	56.7	20%	0.197	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	93.9	-172	-56.3	-72.6	0	0	0	112.4	R405 R415 F416 T417 Q419 L422	R405-F407 VanDerWaalsContact C-N 3.33Å; R405-F407 PolarHBondContact O-N 2.92Å; F407-R415 CarbonylContact O-C 3.18Å; F407-R415 WeakPolarHBondContact O-CA 3.46Å; F407-F416 HydrophobicContact CB-CB 4.28Å; F407-F416 PolarHBondContact N-O 2.69Å; F407-F416 PolarHBondContact O-N 2.83Å; F407-T417 WeakPolarHBondContact CE2-O 3.1Å; F407-Q419 HydrophobicContact CD1-CB 4.24Å; F407-Q419 HydrophobicContact CE1-CB 4.05Å; F407-Q419 HydrophobicContact CE2-CB 4.37Å; F407-Q419 HydrophobicContact CG-CB 4.48Å; F407-Q419 HydrophobicContact CZ-CB 4.12Å; F407-L422 HydrophobicContact CB-CB 4.44Å; F407-L422 HydrophobicContact CB-CD2 4.03Å
408	P	76	Confident	78.2	Confident	74 Å²	74	58 Å²	58	48%	0.481	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	140	174.7	32.3	-35.7	0	0	0	112.4	P406 R415	P406-P408 WeakPolarHBondContact O-CD 3.28Å; P408-R415 HydrophobicContact CB-CG 4.2Å
409	C	81.4	Confident	78.2	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.014	33%	0.325	C	S	.	.			trans	-73.7	122.2	167	-176.1	0	0	0	0	110.4	M411 G413 K414 F416 L422	C409-M411 PolarHBondContact O-N 3.26Å; C409-G413 WeakPolarHBondContact O-CA 2.98Å; C409-G413 PolarHBondContact O-N 3.41Å; C409-K414 WeakPolarHBondContact CB-O 3.4Å; C409-K414 PolarHBondContact N-O 3.27Å; C409-F416 HydrophobicContact CB-CE2 4.34Å; C409-L422 VanDerWaalsContact CA-CD1 3.46Å; C409-L422 HydrophobicContact CB-CD1 3.53Å
410	P	72.8	Confident	78	Confident	93 Å²	93	61.6 Å²	61.6	60%	0.604	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.8	-178.5	26.7	-34.7	0	0	0	113.2	L522	P410-L522 HydrophobicContact CG-CD1 4.35Å; P410-L522 HydrophobicContact CG-CD2 4.44Å
411	M	70.9	Confident	78.3	Confident	77 Å²	77	61.7 Å²	61.7	38%	0.379	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-20.7	-176	-68.2	176.8	-80	0	0	114.7	C409 A426 H430	C409-M411 PolarHBondContact O-N 3.26Å; M411-A426 HydrophobicContact CE-CB 4.13Å; M411-H430 VanDerWaalsContact CB-CE1 3.47Å; M411-H430 WeakPolarHBondContact CB-CE1 3.38Å; M411-H430 HydrophobicContact CE-CB 3.46Å; M411-H430 VanDerWaalsContact CE-CB 3.46Å; M411-H430 HydrophobicContact SD-CB 3.63Å
412	C	78.1	Confident	78.7	Confident	59 Å²	59	58.1 Å²	58.1	40%	0.399	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.8	-0.1	-178.8	69.6	0	0	0	0	115.5	K414 H425 H430	C412-K414 PolarHBondContact O-N 2.74Å; C412-K414 VanDerWaalsContact O-N 3.1Å; C412-H425 PolarHBondContact SG-NE2 3Å; C412-H430 PolarHBondContact SG-NE2 2.84Å; C412-H430 VanDerWaalsContact SG-NE2 3.41Å
413	G	74.8	Confident	78.7	Confident	51 Å²	51	59.8 Å²	59.8	53%	0.526	32%	0.316	S	S	.	.			trans	71.3	-5.1	179.1	0	0	0	0	0	116	C409 R415	C409-G413 WeakPolarHBondContact O-CA 2.98Å; C409-G413 PolarHBondContact O-N 3.41Å; G413-R415 WeakPolarHBondContact O-CG 2.91Å; G413-R415 PolarHBondContact O-N 2.62Å
414	K	78.7	Confident	78.6	Confident	75 Å²	75	61.5 Å²	61.5	33%	0.326	32%	0.316	S	S	.	.			trans	-56.5	133.3	172.7	-73.9	-166.7	175.5	-166.1	0	109.7	L261 C409 C412 F416	L261-K414 PolarHBondContact O-NZ 3.04Å; C409-K414 WeakPolarHBondContact CB-O 3.4Å; C409-K414 PolarHBondContact N-O 3.27Å; C412-K414 PolarHBondContact O-N 2.74Å; C412-K414 VanDerWaalsContact O-N 3.1Å; K414-F416 HydrophobicContact CB-CE2 3.96Å; K414-F416 HydrophobicContact CB-CZ 4.11Å; K414-F416 WeakPolarHBondContact O-CE2 3.32Å
415	R	82.5	Confident	78.9	Confident	148 Å²	148	58.8 Å²	58.8	56%	0.558	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.1	-174.5	-58	-178.5	60.7	157.4	0.1	111.2	R405 F407 P408 G413	R405-R415 HydrophobicContact CB-CB 3.71Å; R405-R415 VanDerWaalsContact CD-O 3.32Å; R405-R415 WeakPolarHBondContact CD-O 3.35Å; R405-R415 VanDerWaalsContact O-CZ 3.25Å; R405-R415 PolarHBondContact O-NE 3.49Å; R405-R415 PolarHBondContact O-NH2 2.88Å; F407-R415 CarbonylContact O-C 3.18Å; F407-R415 WeakPolarHBondContact O-CA 3.46Å; P408-R415 HydrophobicContact CB-CG 4.2Å; G413-R415 WeakPolarHBondContact O-CG 2.91Å; G413-R415 PolarHBondContact O-N 2.62Å
416	F	82.9	Confident	78.7	Confident	20 Å²	20	55.4 Å²	55.4	9%	0.088	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.2	-175.5	-60.2	-86.6	0	0	0	111.4	D258 R405 F407 C409 K414 R418 H421 L422 H425	D258-F416 HydrophobicContact CB-CD1 4.04Å; D258-F416 VanDerWaalsContact OD2-C 3.3Å; D258-F416 WeakPolarHBondContact OD2-CA 3.31Å; D258-F416 WeakPolarHBondContact OD2-CB 3.31Å; R405-F416 CarbonylContact C-O 3.54Å; R405-F416 VanDerWaalsContact CA-O 3.27Å; R405-F416 WeakPolarHBondContact CA-O 3.28Å; F407-F416 HydrophobicContact CB-CB 4.28Å; F407-F416 PolarHBondContact N-O 2.69Å; F407-F416 PolarHBondContact O-N 2.83Å; C409-F416 HydrophobicContact CB-CE2 4.34Å; K414-F416 HydrophobicContact CB-CE2 3.96Å; K414-F416 HydrophobicContact CB-CZ 4.11Å; K414-F416 WeakPolarHBondContact O-CE2 3.32Å; F416-R418 WeakPolarHBondContact CB-O 3.5Å; F416-H421 HydrophobicContact CD1-CB 3.84Å; F416-H421 HydrophobicContact CG-CB 4.45Å; F416-L422 HydrophobicContact CB-CB 4.32Å; F416-L422 HydrophobicContact CD2-CB 3.81Å; F416-L422 HydrophobicContact CD2-CD1 3.88Å; F416-L422 HydrophobicContact CD2-CG 4.39Å; F416-L422 HydrophobicContact CE2-CB 4.49Å; F416-L422 HydrophobicContact CE2-CD1 3.94Å; F416-L422 HydrophobicContact CG-CB 4.16Å; F416-H425 HydrophobicContact CE1-CB 4.09Å; F416-H425 HydrophobicContact CE2-CB 4.15Å; F416-H425 AromaticContact CE2-CD2 3.58Å; F416-H425 AromaticContact CE2-CG 3.91Å; F416-H425 HydrophobicContact CZ-CB 3.59Å; F416-H425 AromaticContact CZ-CD2 3.53Å; F416-H425 AromaticContact CZ-CG 3.39Å; F416-H425 AromaticContact CZ-ND1 3.98Å
417	T	79.7	Confident	78.4	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	29%	0.292	C	S	.	.	S	Bend	trans	-75.7	-22.3	167.9	52.4	0	0	0	0	112.7	D256 P257 D258 R399 E404 R405 F407	D256-T417 PolarHBondContact OD1-OG1 3.38Å; D256-T417 PolarHBondContact OD2-OG1 2.71Å; D256-T417 VanDerWaalsContact OD2-OG1 3.1Å; P257-T417 HydrophobicContact CG-CG2 3.43Å; P257-T417 VanDerWaalsContact CG-CG2 3.43Å; D258-T417 VanDerWaalsContact CG-N 3.26Å; D258-T417 PolarHBondContact OD1-N 2.9Å; D258-T417 VanDerWaalsContact OD1-N 3.13Å; D258-T417 PolarHBondContact OD1-OG1 3.21Å; D258-T417 PolarHBondContact OD2-N 3.33Å; D258-T417 PolarHBondContact OD2-OG1 3.32Å; R399-T417 HydrophobicContact CB-CG2 4.12Å; R399-T417 PolarHBondContact NH1-O 3.4Å; E404-T417 WeakPolarHBondContact O-CG2 3.42Å; R405-T417 HydrophobicContact CG-CG2 3.59Å; F407-T417 WeakPolarHBondContact CE2-O 3.1Å
418	R	82.5	Confident	77.7	Confident	36 Å²	36	57.3 Å²	57.3	14%	0.136	31%	0.308	C	S	.	.	S	Bend	trans	-128.5	149.5	174.3	-46.2	-172	-167	-173.7	2	114.3	E254 D256 D258 R396 F416 E420 L422	E254-R418 PolarHBondContact O-NH2 3.3Å; D256-R418 WeakPolarHBondContact OD2-CD 3.25Å; D256-R418 WeakPolarHBondContact OD2-CG 3.49Å; D256-R418 IonicContact OD2-CZ 2.79Å; D256-R418 IonicContact OD2-NE 3.92Å; D256-R418 PolarHBondContact OD2-NE 3.27Å; D256-R418 IonicContact OD2-NH2 3.86Å; D258-R418 PolarHBondContact OD2-N 2.91Å; R396-R418 HydrophobicContact CG-CG 4.5Å; F416-R418 WeakPolarHBondContact CB-O 3.5Å; R418-E420 HydrophobicContact CB-CG 3.89Å; R418-E420 WeakPolarHBondContact CD-OE1 3.43Å; R418-E420 IonicContact CZ-OE1 2.71Å; R418-E420 IonicContact NE-OE1 3.51Å; R418-E420 IonicContact NH1-OE1 3.98Å; R418-E420 PolarHBondContact NH1-OE1 3.27Å; R418-L422 PolarHBondContact O-N 3.43Å
419	Q	79.2	Confident	77.6	Confident	55 Å²	55	56.7 Å²	56.7	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-69.9	-31.3	175.9	-171.5	69.1	-21	0	0	112.6	F407 L422 R423 L518	F407-Q419 HydrophobicContact CD1-CB 4.24Å; F407-Q419 HydrophobicContact CE1-CB 4.05Å; F407-Q419 HydrophobicContact CE2-CB 4.37Å; F407-Q419 HydrophobicContact CG-CB 4.48Å; F407-Q419 HydrophobicContact CZ-CB 4.12Å; Q419-L422 PolarHBondContact O-N 2.3Å; Q419-R423 PolarHBondContact O-N 2.75Å; Q419-L518 VanDerWaalsContact NE2-CD1 3.34Å
420	E	78.6	Confident	77.1	Confident	99 Å²	99	57.8 Å²	57.8	46%	0.463	31%	0.308	S	S	.	.	H	α-helix	trans	-63.3	-43.9	175.3	64.9	-169.9	150.3	0	0	112	R418 L422 R423 T424	R418-E420 HydrophobicContact CB-CG 3.89Å; R418-E420 WeakPolarHBondContact CD-OE1 3.43Å; R418-E420 IonicContact CZ-OE1 2.71Å; R418-E420 IonicContact NE-OE1 3.51Å; R418-E420 IonicContact NH1-OE1 3.98Å; R418-E420 PolarHBondContact NH1-OE1 3.27Å; E420-L422 PolarHBondContact O-N 3.36Å; E420-R423 PolarHBondContact O-N 2.91Å; E420-T424 WeakPolarHBondContact O-CG2 3.2Å; E420-T424 PolarHBondContact O-N 2.66Å; E420-T424 PolarHBondContact O-OG1 2.95Å
421	H	82.1	Confident	76.4	Confident	31 Å²	31	59.9 Å²	59.9	14%	0.144	30%	0.304	C	S	.	.	H	α-helix	trans	-66.5	-35.3	175.7	-60.4	-50.6	0	0	0	111.9	D256 D258 F416 T424 H425	D256-H421 IonicContact OD1-CD2 2.71Å; D256-H421 PolarHBondContact OD1-CD2 3.28Å; D256-H421 IonicContact OD1-NE2 2.63Å; D256-H421 IonicContact OD2-CD2 2.84Å; D256-H421 IonicContact OD2-NE2 2.58Å; D258-H421 HydrophobicContact CB-CB 4.37Å; D258-H421 IonicContact OD2-CD2 3.27Å; F416-H421 HydrophobicContact CD1-CB 3.84Å; F416-H421 HydrophobicContact CG-CB 4.45Å; H421-T424 PolarHBondContact O-OG1 3.13Å; H421-H425 WeakPolarHBondContact O-CB 3.14Å; H421-H425 PolarHBondContact O-N 2.98Å
422	L	84	Confident	75.7	Confident	19 Å²	19	61.1 Å²	61.1	10%	0.099	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-44.3	169.6	173.4	56.3	0	0	0	112.1	F407 C409 F416 R418 Q419 E420 H425 A426	F407-L422 HydrophobicContact CB-CB 4.44Å; F407-L422 HydrophobicContact CB-CD2 4.03Å; C409-L422 VanDerWaalsContact CA-CD1 3.46Å; C409-L422 HydrophobicContact CB-CD1 3.53Å; F416-L422 HydrophobicContact CB-CB 4.32Å; F416-L422 HydrophobicContact CD2-CB 3.81Å; F416-L422 HydrophobicContact CD2-CD1 3.88Å; F416-L422 HydrophobicContact CD2-CG 4.39Å; F416-L422 HydrophobicContact CE2-CB 4.49Å; F416-L422 HydrophobicContact CE2-CD1 3.94Å; F416-L422 HydrophobicContact CG-CB 4.16Å; R418-L422 PolarHBondContact O-N 3.43Å; Q419-L422 PolarHBondContact O-N 2.3Å; E420-L422 PolarHBondContact O-N 3.36Å; L422-H425 PolarHBondContact O-N 3.1Å; L422-A426 WeakPolarHBondContact O-CB 3.18Å; L422-A426 PolarHBondContact O-N 3.36Å
423	R	75.8	Confident	74.5	Confident	103 Å²	103	66.9 Å²	66.9	39%	0.389	32%	0.323	S	S	.	.	H	α-helix	trans	-64.8	-45.7	179.6	-176	175.3	173.6	87.6	0.2	111.6	Q419 E420 A426 L427	Q419-R423 PolarHBondContact O-N 2.75Å; E420-R423 PolarHBondContact O-N 2.91Å; R423-A426 PolarHBondContact O-N 3.17Å; R423-L427 HydrophobicContact CG-CD1 3.91Å; R423-L427 WeakPolarHBondContact O-CB 3.47Å; R423-L427 VanDerWaalsContact O-CG 3.3Å; R423-L427 WeakPolarHBondContact O-CG 3.33Å; R423-L427 PolarHBondContact O-N 3.48Å
424	T	73.9	Confident	73.6	Confident	87 Å²	87	68.1 Å²	68.1	53%	0.534	31%	0.312	S	S	.	.	H	α-helix	trans	-66.8	-38	176.8	56.8	0	0	0	0	111.8	E420 H421 L427 S428	E420-T424 WeakPolarHBondContact O-CG2 3.2Å; E420-T424 PolarHBondContact O-N 2.66Å; E420-T424 PolarHBondContact O-OG1 2.95Å; H421-T424 PolarHBondContact O-OG1 3.13Å; T424-L427 PolarHBondContact O-N 3.49Å; T424-S428 VanDerWaalsContact O-CB 3.28Å; T424-S428 WeakPolarHBondContact O-CB 3.42Å; T424-S428 PolarHBondContact O-N 2.85Å; T424-S428 PolarHBondContact O-OG 2.77Å
425	H	81.2	Confident	72.6	Confident	18 Å²	18	68.2 Å²	68.2	8%	0.083	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-48.2	171.3	170.6	64.8	0	0	0	112.4	C412 F416 H421 L422 L427 S428 V429 H430	C412-H425 PolarHBondContact SG-NE2 3Å; F416-H425 HydrophobicContact CE1-CB 4.09Å; F416-H425 HydrophobicContact CE2-CB 4.15Å; F416-H425 AromaticContact CE2-CD2 3.58Å; F416-H425 AromaticContact CE2-CG 3.91Å; F416-H425 HydrophobicContact CZ-CB 3.59Å; F416-H425 AromaticContact CZ-CD2 3.53Å; F416-H425 AromaticContact CZ-CG 3.39Å; F416-H425 AromaticContact CZ-ND1 3.98Å; H421-H425 WeakPolarHBondContact O-CB 3.14Å; H421-H425 PolarHBondContact O-N 2.98Å; L422-H425 PolarHBondContact O-N 3.1Å; H425-L427 PolarHBondContact O-N 3.23Å; H425-S428 PolarHBondContact O-N 3.41Å; H425-S428 PolarHBondContact O-OG 2.85Å; H425-V429 WeakPolarHBondContact ND1-CG2 3.46Å; H425-V429 WeakPolarHBondContact O-CB 3.48Å; H425-V429 PolarHBondContact O-N 3.42Å; H425-H430 AromaticContact NE2-CD2 3.81Å; H425-H430 AromaticContact NE2-NE2 3.69Å
426	A	75.9	Confident	71.6	Confident	13 Å²	13	62.9 Å²	62.9	11%	0.107	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-38.1	178.6	0	0	0	0	0	112.7	M411 L422 R423 H430 R431 W434	M411-A426 HydrophobicContact CE-CB 4.13Å; L422-A426 WeakPolarHBondContact O-CB 3.18Å; L422-A426 PolarHBondContact O-N 3.36Å; R423-A426 PolarHBondContact O-N 3.17Å; A426-H430 CarbonylContact O-C 3.55Å; A426-H430 WeakPolarHBondContact O-CA 3.2Å; A426-H430 WeakPolarHBondContact O-CB 3.45Å; A426-H430 PolarHBondContact O-N 3.22Å; A426-R431 PolarHBondContact O-N 3.16Å; A426-W434 PolarHBondContact O-NE1 2.98Å
427	L	71.9	Confident	70.5	Confident	66 Å²	66	65.6 Å²	65.6	35%	0.346	33%	0.326	S	S	.	.	H	α-helix	trans	-79.1	-15	179.4	-69.4	173	0	0	0	114.5	R423 T424 H425 R431	R423-L427 HydrophobicContact CG-CD1 3.91Å; R423-L427 WeakPolarHBondContact O-CB 3.47Å; R423-L427 VanDerWaalsContact O-CG 3.3Å; R423-L427 WeakPolarHBondContact O-CG 3.33Å; R423-L427 PolarHBondContact O-N 3.48Å; T424-L427 PolarHBondContact O-N 3.49Å; H425-L427 PolarHBondContact O-N 3.23Å; L427-R431 WeakPolarHBondContact O-CB 3.41Å; L427-R431 WeakPolarHBondContact O-CG 3.32Å
428	S	69.2	Low	69.9	Low	76 Å²	76	65.7 Å²	65.7	53%	0.531	33%	0.326	S	S	.	.	H	α-helix	trans	-102.5	-56.9	179.3	55.9	0	0	0	0	112.3	T424 H425	T424-S428 VanDerWaalsContact O-CB 3.28Å; T424-S428 WeakPolarHBondContact O-CB 3.42Å; T424-S428 PolarHBondContact O-N 2.85Å; T424-S428 PolarHBondContact O-OG 2.77Å; H425-S428 PolarHBondContact O-N 3.41Å; H425-S428 PolarHBondContact O-OG 2.85Å
429	V	73.6	Confident	68.7	Low	62 Å²	62	69.5 Å²	69.5	38%	0.376	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-49.5	-177.5	-179.9	0	0	0	0	110.7	H425 R431	H425-V429 WeakPolarHBondContact ND1-CG2 3.46Å; H425-V429 WeakPolarHBondContact O-CB 3.48Å; H425-V429 PolarHBondContact O-N 3.42Å; V429-R431 VanDerWaalsContact C-N 3.3Å; V429-R431 PolarHBondContact O-N 3.1Å
430	H	70.3	Confident	67.9	Low	25 Å²	25	70.8 Å²	70.8	12%	0.116	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-89.3	9.8	-177.4	-62.9	-80.2	0	0	0	113.9	M411 C412 H425 A426 H432 Y433	M411-H430 VanDerWaalsContact CB-CE1 3.47Å; M411-H430 WeakPolarHBondContact CB-CE1 3.38Å; M411-H430 HydrophobicContact CE-CB 3.46Å; M411-H430 VanDerWaalsContact CE-CB 3.46Å; M411-H430 HydrophobicContact SD-CB 3.63Å; C412-H430 PolarHBondContact SG-NE2 2.84Å; C412-H430 VanDerWaalsContact SG-NE2 3.41Å; H425-H430 AromaticContact NE2-CD2 3.81Å; H425-H430 AromaticContact NE2-NE2 3.69Å; A426-H430 CarbonylContact O-C 3.55Å; A426-H430 WeakPolarHBondContact O-CA 3.2Å; A426-H430 WeakPolarHBondContact O-CB 3.45Å; A426-H430 PolarHBondContact O-N 3.22Å; H430-H432 PolarHBondContact O-N 3.47Å; H430-Y433 PolarHBondContact O-N 3.05Å
431	R	59.3	Low	67.5	Low	137 Å²	137	67.9 Å²	67.9	52%	0.517	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-47	-29.5	177.9	-163.3	176.8	175.9	92.3	-1.7	114.4	A426 L427 V429 Y433 W434	A426-R431 PolarHBondContact O-N 3.16Å; L427-R431 WeakPolarHBondContact O-CB 3.41Å; L427-R431 WeakPolarHBondContact O-CG 3.32Å; V429-R431 VanDerWaalsContact C-N 3.3Å; V429-R431 PolarHBondContact O-N 3.1Å; R431-Y433 VanDerWaalsContact C-N 3.3Å; R431-Y433 PolarHBondContact O-N 2.96Å; R431-W434 PolarHBondContact O-N 2.9Å
432	H	55.8	Low	66.6	Low	102 Å²	102	77.1 Å²	77.1	47%	0.472	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-65.9	-25.4	178.9	-67.7	93	0	0	0	114.7	H430 G447 R455	H430-H432 PolarHBondContact O-N 3.47Å; H432-G447 WeakPolarHBondContact O-CA 3.12Å; H432-G447 PolarHBondContact O-N 3.17Å; H432-R455 PolarHBondContact CD2-NH1 2.93Å; H432-R455 PolarHBondContact NE2-NH1 3.46Å
433	Y	53.8	Low	65.6	Low	180 Å²	180	83 Å²	83	71%	0.706	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-92	-12.9	179.9	-80.2	-96	0	0	0	113.4	H430 R431	H430-Y433 PolarHBondContact O-N 3.05Å; R431-Y433 VanDerWaalsContact C-N 3.3Å; R431-Y433 PolarHBondContact O-N 2.96Å
434	W	54.9	Low	64.8	Low	77 Å²	77	82.2 Å²	82.2	29%	0.292	41%	0.41	S	S	.	.	S	Bend	trans	-76.8	128.9	-179	-74.4	91.1	0	0	0	112	A426 R431 V436	A426-W434 PolarHBondContact O-NE1 2.98Å; R431-W434 PolarHBondContact O-N 2.9Å; W434-V436 PolarHBondContact O-N 3.22Å
435	P	57.2	Low	64.2	Low	77 Å²	77	79.5 Å²	79.5	50%	0.5	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-70.5	119.4	174.4	26.5	-31.9	0	0	0	111.5	T444 T446	P435-T444 HydrophobicContact CB-CG2 3.41Å; P435-T444 VanDerWaalsContact CB-CG2 3.41Å; P435-T446 HydrophobicContact CB-CG2 3.85Å
436	V	62.5	Low	63.1	Low	37 Å²	37	82 Å²	82	22%	0.224	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	116.3	172.3	179	0	0	0	0	109.2	W434 T444 F445 T469	W434-V436 PolarHBondContact O-N 3.22Å; V436-T444 CarbonylContact O-C 3.57Å; V436-T444 WeakPolarHBondContact O-CA 3.46Å; V436-F445 PolarHBondContact N-O 3.46Å; V436-F445 PolarHBondContact O-N 3.29Å; V436-T469 HydrophobicContact CG1-CG2 4.23Å
437	S	59.5	Low	62.2	Low	77 Å²	77	82.9 Å²	82.9	54%	0.538	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.7	-180	64.8	0	0	0	0	113
438	C	66.3	Low	61.4	Low	2 Å²	2	84.7 Å²	84.7	1%	0.014	44%	0.436	C	S	.	.			trans	-89.9	102.4	-177.6	175.3	0	0	0	0	111.6	S440 C441 R442 R443 F445 T467	C438-S440 PolarHBondContact O-N 2.77Å; C438-C441 HydrophobicContact CB-CB 4.27Å; C438-C441 WeakPolarHBondContact CB-SG 3.45Å; C438-C441 PolarHBondContact O-N 3.44Å; C438-C441 VanDerWaalsContact O-N 3.11Å; C438-C441 WeakPolarHBondContact SG-CB 3.32Å; C438-C441 PolarHBondContact SG-N 3.48Å; C438-C441 CovalentContact SG-SG 2.05Å; C438-C441 PolarHBondContact SG-SG 3.31Å; C438-R442 WeakPolarHBondContact O-CA 3.39Å; C438-R442 PolarHBondContact O-N 2.99Å; C438-R443 WeakPolarHBondContact CB-O 3.45Å; C438-R443 PolarHBondContact N-O 3.36Å; C438-F445 HydrophobicContact CB-CE2 4.13Å; C438-T467 HydrophobicContact CB-CG2 4.05Å
439	K	58.6	Low	60.6	Low	116 Å²	116	86.6 Å²	86.6	50%	0.504	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-39.6	-178.1	-72.8	-175.1	175.3	176.6	0	113.7	T468 D472	K439-T468 PolarHBondContact NZ-OG1 3.43Å; K439-T468 VanDerWaalsContact NZ-OG1 3.15Å; K439-D472 IonicContact NZ-OD2 3.52Å
440	S	62.3	Low	59.8	Low	83 Å²	83	84.7 Å²	84.7	58%	0.58	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-35.2	179.3	172.8	0	0	0	0	114.9	C438 C465	C438-S440 PolarHBondContact O-N 2.77Å; S440-C465 VanDerWaalsContact CB-SG 3.56Å; S440-C465 PolarHBondContact OG-SG 3.41Å
441	C	70.8	Confident	59.3	Low	37 Å²	37	84.4 Å²	84.4	25%	0.25	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	0.3	-169.5	71.8	0	0	0	0	114.9	C438 R443	C438-C441 HydrophobicContact CB-CB 4.27Å; C438-C441 WeakPolarHBondContact CB-SG 3.45Å; C438-C441 PolarHBondContact O-N 3.44Å; C438-C441 VanDerWaalsContact O-N 3.11Å; C438-C441 WeakPolarHBondContact SG-CB 3.32Å; C438-C441 PolarHBondContact SG-N 3.48Å; C438-C441 CovalentContact SG-SG 2.05Å; C438-C441 PolarHBondContact SG-SG 3.31Å; C441-R443 PolarHBondContact O-N 2.69Å
442	R	63	Low	59.1	Low	225 Å²	225	82.6 Å²	82.6	85%	0.849	44%	0.435	S	S	*	.			trans	51.5	9	178.6	-59.4	-172.8	-179.5	-170.8	-0.7	116.7	C438	C438-R442 WeakPolarHBondContact O-CA 3.39Å; C438-R442 PolarHBondContact O-N 2.99Å
443	R	61.1	Low	59.1	Low	143 Å²	143	78.8 Å²	78.8	54%	0.54	42%	0.424	S	S	.	.			trans	-73.8	133.8	172.3	-72.3	177	172.3	162.9	-3.4	110.3	C438 C441 F445 S462	C438-R443 WeakPolarHBondContact CB-O 3.45Å; C438-R443 PolarHBondContact N-O 3.36Å; C441-R443 PolarHBondContact O-N 2.69Å; R443-F445 HydrophobicContact CB-CD2 4.49Å; R443-F445 HydrophobicContact CB-CE1 4.47Å; R443-F445 HydrophobicContact CB-CE2 3.7Å; R443-F445 HydrophobicContact CB-CZ 3.68Å; R443-S462 PolarHBondContact NH1-OG 2.99Å
444	T	59.4	Low	59.3	Low	86 Å²	86	70.9 Å²	70.9	53%	0.528	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.8	171.8	-57.2	0	0	0	0	108.9	P435 V436	P435-T444 HydrophobicContact CB-CG2 3.41Å; P435-T444 VanDerWaalsContact CB-CG2 3.41Å; V436-T444 CarbonylContact O-C 3.57Å; V436-T444 WeakPolarHBondContact O-CA 3.46Å
445	F	61.6	Low	59.3	Low	31 Å²	31	72.4 Å²	72.4	14%	0.136	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.7	-178.4	-56.5	-91.3	0	0	0	109.8	V436 C438 R443 N449 V450 L454 C460	V436-F445 PolarHBondContact N-O 3.46Å; V436-F445 PolarHBondContact O-N 3.29Å; C438-F445 HydrophobicContact CB-CE2 4.13Å; R443-F445 HydrophobicContact CB-CD2 4.49Å; R443-F445 HydrophobicContact CB-CE1 4.47Å; R443-F445 HydrophobicContact CB-CE2 3.7Å; R443-F445 HydrophobicContact CB-CZ 3.68Å; F445-N449 WeakPolarHBondContact CD1-O 3.34Å; F445-V450 HydrophobicContact CB-CG2 4.02Å; F445-L454 HydrophobicContact CB-CD2 4.01Å; F445-L454 HydrophobicContact CD1-CD2 4.18Å; F445-L454 HydrophobicContact CD2-CD2 3.58Å; F445-L454 HydrophobicContact CE2-CD2 4.03Å; F445-L454 HydrophobicContact CG-CD2 3.66Å; F445-C460 VanDerWaalsContact CZ-SG 3.57Å
446	T	58.7	Low	58.8	Low	70 Å²	70	78 Å²	78	43%	0.429	41%	0.411	S	S	.	.			trans	-123.7	155.5	176.3	49.2	0	0	0	0	110.3	P435 S448 N449	P435-T446 HydrophobicContact CB-CG2 3.85Å; T446-S448 PolarHBondContact O-N 3.14Å; T446-N449 PolarHBondContact O-N 3.17Å
447	G	57.3	Low	58.4	Low	31 Å²	31	82.9 Å²	82.9	32%	0.32	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	-97.8	162.8	0	0	0	0	0	116.3	H432 R455	H432-G447 WeakPolarHBondContact O-CA 3.12Å; H432-G447 PolarHBondContact O-N 3.17Å; G447-R455 PolarHBondContact O-NH2 3.42Å
448	S	53.9	Low	58.2	Low	105 Å²	105	80 Å²	80	73%	0.734	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-30.2	-176	52.2	0	0	0	0	114.6	T446	T446-S448 PolarHBondContact O-N 3.14Å
449	N	53.8	Low	57.9	Low	115 Å²	115	82.5 Å²	82.5	62%	0.615	42%	0.424	S	S	*	.	S	Bend	trans	-96.3	4.5	-162.8	-65.6	10.2	0	0	0	113.8	F445 T446	F445-N449 WeakPolarHBondContact CD1-O 3.34Å; T446-N449 PolarHBondContact O-N 3.17Å
450	V	56.9	Low	58	Low	22 Å²	22	77 Å²	77	13%	0.133	40%	0.4	C	S	.	.			trans	-87.4	112.3	-179.8	-160.4	0	0	0	0	110.2	F445 L454 R455	F445-V450 HydrophobicContact CB-CG2 4.02Å; V450-L454 HydrophobicContact CG1-CB 4.03Å; V450-L454 HydrophobicContact CG1-CD2 3.8Å; V450-L454 HydrophobicContact CG1-CG 3.83Å; V450-R455 HydrophobicContact CB-CG 4.17Å; V450-R455 HydrophobicContact CG1-CG 3.69Å; V450-R455 PolarHBondContact O-NE 2.76Å
451	S	58.3	Low	57.8	Low	19 Å²	19	78.1 Å²	78.1	13%	0.133	40%	0.399	C	S	.	.			trans	-65.4	161	-180	75.9	0	0	0	0	113.1	G453 L454 R455 D461	S451-G453 PolarHBondContact O-N 3.23Å; S451-G453 PolarHBondContact OG-N 2.92Å; S451-L454 PolarHBondContact O-N 3.41Å; S451-L454 WeakPolarHBondContact OG-CB 3.27Å; S451-L454 PolarHBondContact OG-N 2.79Å; S451-R455 WeakPolarHBondContact O-CB 3.37Å; S451-R455 WeakPolarHBondContact O-CG 3.3Å; S451-R455 PolarHBondContact O-N 2.92Å; S451-D461 VanDerWaalsContact CB-CG 3.46Å; S451-D461 VanDerWaalsContact CB-OD1 3.3Å; S451-D461 WeakPolarHBondContact CB-OD1 3.43Å; S451-D461 WeakPolarHBondContact CB-OD2 3.47Å; S451-D461 PolarHBondContact OG-OD1 2.83Å; S451-D461 PolarHBondContact OG-OD2 3.37Å
452	P	55.7	Low	57.4	Low	99 Å²	99	79.3 Å²	79.3	64%	0.643	41%	0.408	S	S	*	.	H	α-helix	trans	-59.7	-30.5	171.5	-24.2	35.3	0	0	0	113.8	R456	P452-R456 VanDerWaalsContact O-CB 3.29Å; P452-R456 WeakPolarHBondContact O-CB 3.4Å; P452-R456 PolarHBondContact O-N 3.42Å; P452-R456 VanDerWaalsContact O-N 3.17Å
453	G	54.9	Low	57.6	Low	22 Å²	22	70.8 Å²	70.8	23%	0.227	38%	0.382	C	S	.	.	H	α-helix	trans	-68	-48.9	175.6	0	0	0	0	0	112	S451 R455 R456 F457 G458	S451-G453 PolarHBondContact O-N 3.23Å; S451-G453 PolarHBondContact OG-N 2.92Å; G453-R455 PolarHBondContact O-N 3.44Å; G453-R456 PolarHBondContact O-N 3Å; G453-F457 PolarHBondContact O-N 3.37Å; G453-G458 PolarHBondContact O-N 2.98Å
454	L	58	Low	57.5	Low	14 Å²	14	70.1 Å²	70.1	7%	0.073	39%	0.39	C	S	.	.	H	α-helix	trans	-64.3	-39.3	176.6	-172.9	57.4	0	0	0	111.6	F445 V450 S451 R456 G458 I459 T467	F445-L454 HydrophobicContact CB-CD2 4.01Å; F445-L454 HydrophobicContact CD1-CD2 4.18Å; F445-L454 HydrophobicContact CD2-CD2 3.58Å; F445-L454 HydrophobicContact CE2-CD2 4.03Å; F445-L454 HydrophobicContact CG-CD2 3.66Å; V450-L454 HydrophobicContact CG1-CB 4.03Å; V450-L454 HydrophobicContact CG1-CD2 3.8Å; V450-L454 HydrophobicContact CG1-CG 3.83Å; S451-L454 PolarHBondContact O-N 3.41Å; S451-L454 WeakPolarHBondContact OG-CB 3.27Å; S451-L454 PolarHBondContact OG-N 2.79Å; L454-R456 PolarHBondContact O-N 2.96Å; L454-G458 WeakPolarHBondContact O-CA 3.45Å; L454-G458 PolarHBondContact O-N 2.81Å; L454-I459 VanDerWaalsContact CA-O 3.23Å; L454-I459 WeakPolarHBondContact CA-O 3.48Å; L454-I459 WeakPolarHBondContact CB-O 3.26Å; L454-I459 PolarHBondContact N-O 3.12Å; L454-T467 HydrophobicContact CD1-CG2 4.33Å; L454-T467 VanDerWaalsContact CD1-OG1 3.31Å; L454-T467 WeakPolarHBondContact CD1-OG1 3.27Å
455	R	54.9	Low	57.5	Low	110 Å²	110	68 Å²	68	42%	0.415	38%	0.377	S	S	.	.	H	α-helix	trans	-62.9	-37.1	175.9	-74.1	169.3	-174.3	-106.7	-3.5	114	H432 G447 V450 S451 G453	H432-R455 PolarHBondContact CD2-NH1 2.93Å; H432-R455 PolarHBondContact NE2-NH1 3.46Å; G447-R455 PolarHBondContact O-NH2 3.42Å; V450-R455 HydrophobicContact CB-CG 4.17Å; V450-R455 HydrophobicContact CG1-CG 3.69Å; V450-R455 PolarHBondContact O-NE 2.76Å; S451-R455 WeakPolarHBondContact O-CB 3.37Å; S451-R455 WeakPolarHBondContact O-CG 3.3Å; S451-R455 PolarHBondContact O-N 2.92Å; G453-R455 PolarHBondContact O-N 3.44Å
456	R	47.6	Very low	57.1	Low	195 Å²	195	71.4 Å²	71.4	74%	0.736	40%	0.401	S	S	*	.	H	α-helix	trans	-106.7	-30.5	-167.5	-164.2	-178.9	-59	-146.6	1.9	114.4	P452 G453 L454	P452-R456 VanDerWaalsContact O-CB 3.29Å; P452-R456 WeakPolarHBondContact O-CB 3.4Å; P452-R456 PolarHBondContact O-N 3.42Å; P452-R456 VanDerWaalsContact O-N 3.17Å; G453-R456 PolarHBondContact O-N 3Å; L454-R456 PolarHBondContact O-N 2.96Å
457	F	53.1	Low	57	Low	139 Å²	139	68.4 Å²	68.4	61%	0.61	38%	0.382	S	S	*	.	H	α-helix	trans	-124.7	-3.3	-176	-55.9	-72.2	0	0	0	113.2	G453 I459	G453-F457 PolarHBondContact O-N 3.37Å; F457-I459 HydrophobicContact CB-CD1 3.79Å; F457-I459 HydrophobicContact CB-CG1 3.86Å; F457-I459 PolarHBondContact O-N 3.38Å
458	G	57.1	Low	56.5	Low	15 Å²	15	70.8 Å²	70.8	16%	0.155	39%	0.391	C	S	.	.			trans	66.7	19.8	-174.8	0	0	0	0	0	113.4	G453 L454 V466 T467	G453-G458 PolarHBondContact O-N 2.98Å; L454-G458 WeakPolarHBondContact O-CA 3.45Å; L454-G458 PolarHBondContact O-N 2.81Å; G458-V466 CarbonylContact O-C 3.37Å; G458-V466 WeakPolarHBondContact O-CA 3.39Å; G458-T467 PolarHBondContact O-N 3.2Å; G458-T467 PolarHBondContact O-OG1 3.26Å; G458-T467 VanDerWaalsContact O-OG1 3.04Å
459	I	59	Low	56.1	Low	56 Å²	56	70.1 Å²	70.1	29%	0.287	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-91.1	125.4	-178.1	-59.7	171.9	0	0	0	109.1	L454 F457 D461	L454-I459 VanDerWaalsContact CA-O 3.23Å; L454-I459 WeakPolarHBondContact CA-O 3.48Å; L454-I459 WeakPolarHBondContact CB-O 3.26Å; L454-I459 PolarHBondContact N-O 3.12Å; F457-I459 HydrophobicContact CB-CD1 3.79Å; F457-I459 HydrophobicContact CB-CG1 3.86Å; F457-I459 PolarHBondContact O-N 3.38Å; I459-D461 PolarHBondContact O-N 3.04Å
460	C	61.8	Low	55.1	Low	1 Å²	1	70.9 Å²	70.9	1%	0.007	38%	0.382	C	S	.	.			trans	-82.6	110.5	174.6	-177.9	0	0	0	0	111.3	F445 S462 C463 N464 C465 T467	F445-C460 VanDerWaalsContact CZ-SG 3.57Å; C460-S462 PolarHBondContact O-N 3.43Å; C460-S462 PolarHBondContact SG-OG 3.4Å; C460-C463 PolarHBondContact O-N 3.34Å; C460-N464 WeakPolarHBondContact O-CA 3.43Å; C460-N464 PolarHBondContact O-N 3.02Å; C460-C465 PolarHBondContact N-O 3.06Å; C460-T467 HydrophobicContact CB-CG2 4.14Å
461	D	57.4	Low	54	Low	105 Å²	105	75.9 Å²	75.9	56%	0.561	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-27.6	-178.8	-60.8	27.7	0	0	0	114.5	S451 I459	S451-D461 VanDerWaalsContact CB-CG 3.46Å; S451-D461 VanDerWaalsContact CB-OD1 3.3Å; S451-D461 WeakPolarHBondContact CB-OD1 3.43Å; S451-D461 WeakPolarHBondContact CB-OD2 3.47Å; S451-D461 PolarHBondContact OG-OD1 2.83Å; S451-D461 PolarHBondContact OG-OD2 3.37Å; I459-D461 PolarHBondContact O-N 3.04Å
462	S	61	Low	52.5	Low	62 Å²	62	81.9 Å²	81.9	43%	0.434	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.9	-179.7	65.6	0	0	0	0	115.8	R443 C460	R443-S462 PolarHBondContact NH1-OG 2.99Å; C460-S462 PolarHBondContact O-N 3.43Å; C460-S462 PolarHBondContact SG-OG 3.4Å
463	C	67.7	Low	51.4	Low	47 Å²	47	81.8 Å²	81.8	32%	0.318	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.1	0.1	175.2	61.3	0	0	0	0	115.7	C460 C465	C460-C463 PolarHBondContact O-N 3.34Å; C463-C465 PolarHBondContact O-N 3.43Å
464	N	59.3	Low	50	Low	129 Å²	129	85 Å²	85	69%	0.69	46%	0.461	S	S	*	.			trans	55.4	9.7	-173.2	-86.5	-9.3	0	0	0	116.1	C460	C460-N464 WeakPolarHBondContact O-CA 3.43Å; C460-N464 PolarHBondContact O-N 3.02Å
465	C	58.8	Low	49	Very low	40 Å²	40	90.8 Å²	90.8	27%	0.27	50%	0.499	S	S	.	.			trans	-73.4	142.7	176.4	-56.3	0	0	0	0	111.8	S440 C460 C463 T467	S440-C465 VanDerWaalsContact CB-SG 3.56Å; S440-C465 PolarHBondContact OG-SG 3.41Å; C460-C465 PolarHBondContact N-O 3.06Å; C463-C465 PolarHBondContact O-N 3.43Å; C465-T467 PolarHBondContact O-N 3.27Å
466	V	54.1	Low	47.6	Very low	104 Å²	104	90.4 Å²	90.4	63%	0.63	52%	0.52	S	S	*	.	B	Isolated β-bridge	trans	-76.6	114.6	169.7	-178.8	0	0	0	0	109.3	G458 T468	G458-V466 CarbonylContact O-C 3.37Å; G458-V466 WeakPolarHBondContact O-CA 3.39Å; V466-T468 PolarHBondContact O-N 3.15Å
467	T	55.9	Low	46.6	Very low	6 Å²	6	88.9 Å²	88.9	4%	0.037	53%	0.526	C	S	.	.			trans	-89.8	98.5	174.3	64.9	0	0	0	0	109.2	C438 L454 G458 C460 C465 T469	C438-T467 HydrophobicContact CB-CG2 4.05Å; L454-T467 HydrophobicContact CD1-CG2 4.33Å; L454-T467 VanDerWaalsContact CD1-OG1 3.31Å; L454-T467 WeakPolarHBondContact CD1-OG1 3.27Å; G458-T467 PolarHBondContact O-N 3.2Å; G458-T467 PolarHBondContact O-OG1 3.26Å; G458-T467 VanDerWaalsContact O-OG1 3.04Å; C460-T467 HydrophobicContact CB-CG2 4.14Å; C465-T467 PolarHBondContact O-N 3.27Å; T467-T469 PolarHBondContact O-N 2.94Å
468	T	46.9	Very low	45.8	Very low	82 Å²	82	87.2 Å²	87.2	50%	0.503	53%	0.529	S	S	.	.			trans	-63.5	113.9	175.5	55.5	0	0	0	0	110.4	K439 V466 H470	K439-T468 PolarHBondContact NZ-OG1 3.43Å; K439-T468 VanDerWaalsContact NZ-OG1 3.15Å; V466-T468 PolarHBondContact O-N 3.15Å; T468-H470 PolarHBondContact O-N 2.81Å
469	T	46.7	Very low	44.4	Very low	90 Å²	90	92.2 Å²	92.2	55%	0.552	56%	0.562	S	S	*	*	S	Bend	trans	-82.1	58.7	177.7	59.4	0	0	0	0	112.2	V436 T467	V436-T469 HydrophobicContact CG1-CG2 4.23Å; T467-T469 PolarHBondContact O-N 2.94Å
470	H	32	Very low	42.8	Very low	132 Å²	132	94.7 Å²	94.7	61%	0.611	58%	0.584	S	S	*	*	S	Bend	trans	-158	163.4	156.2	-137.9	-99.4	0	0	0	112.1	T468	T468-H470 PolarHBondContact O-N 2.81Å
471	E	34.9	Very low	41.1	Very low	127 Å²	127	103.4 Å²	103.4	59%	0.593	62%	0.624	S	S	*	*			trans	-56.7	143.9	-177.7	-64	-71.9	96.5	0	0	114.1	S473	E471-S473 PolarHBondContact OE2-OG 2.86Å
472	D	26	Very low	40	Very low	145 Å²	145	103.2 Å²	103.2	78%	0.775	63%	0.629	S	S	*	*			trans	-135.1	84.2	150.6	-93.3	-53.3	0	0	0	105.7	K439	K439-D472 IonicContact NZ-OD2 3.52Å
473	S	31.8	Very low	38.2	Very low	97 Å²	97	108.3 Å²	108.3	68%	0.678	65%	0.646	S	S	*	*			trans	-107.9	87.6	-167	-71.1	0	0	0	0	111.1	E471	E471-S473 PolarHBondContact OE2-OG 2.86Å
474	A	26.9	Very low	36.6	Very low	90 Å²	90	111 Å²	111	74%	0.744	66%	0.663	S	S	*	*			trans	-125.4	141.2	166.3	0	0	0	0	0	109.1
475	P	36.1	Very low	34.9	Very low	134 Å²	134	113.1 Å²	113.1	87%	0.87	67%	0.671	S	S	*	*			trans	-80.2	152.2	-160.5	31.4	-36.6	0	0	0	113.9
476	A	25.5	Very low	33.4	Very low	103 Å²	103	118 Å²	118	85%	0.851	70%	0.699	S	S	*	*			trans	-122.9	123.1	164.2	0	0	0	0	0	109.3
477	D	26.8	Very low	32.1	Very low	163 Å²	163	124.3 Å²	124.3	87%	0.872	71%	0.712	S	S	*	*			trans	-138.6	140.6	167	-150.2	18.3	0	0	0	107.3
478	P	37.2	Very low	30.6	Very low	103 Å²	103	128.9 Å²	128.9	67%	0.669	75%	0.75	S	S	*	*			trans	-100.6	161.4	-158.1	37.3	-34.6	0	0	0	116
479	S	25.8	Very low	29.6	Very low	120 Å²	120	134.7 Å²	134.7	84%	0.839	77%	0.771	S	S	*	*			trans	74.2	131.8	175.7	78.8	0	0	0	0	115.2
480	S	27.1	Very low	28.6	Very low	108 Å²	108	134 Å²	134	76%	0.755	78%	0.781	S	S	*	*			cis	-165.4	144.4	36.3	45.1	0	0	0	0	114.4
481	Q	25.6	Very low	28.5	Very low	184 Å²	184	134.6 Å²	134.6	86%	0.86	80%	0.795	S	S	*	*			trans	53.4	157.2	158.4	-64.8	-64.7	-41.9	0	0	121.7
482	P	33.9	Very low	28.2	Very low	102 Å²	102	134.2 Å²	134.2	66%	0.662	80%	0.801	S	S	*	*			trans	-112.5	-162.4	-170.2	43.5	-34.4	0	0	0	115.4
483	E	22.8	Very low	28.1	Very low	169 Å²	169	133.9 Å²	133.9	79%	0.79	80%	0.799	S	S	*	*			trans	94.2	149	173.7	-69.2	-66.7	96.4	0	0	116.7
484	P	34.7	Very low	27.9	Very low	103 Å²	103	141 Å²	141	67%	0.669	81%	0.812	S	S	*	*				-139.7	173.3	-101.8	40.7	-21.2	0	0	0	119.2
485	M	23.2	Very low	28.1	Very low	173 Å²	173	141.8 Å²	141.8	85%	0.852	81%	0.812	S	S	*	*			trans	59.4	116	150.9	-171.3	-179.6	75.4	0	0	121.5
486	V	27	Very low	27.7	Very low	143 Å²	143	141.1 Å²	141.1	87%	0.867	81%	0.81	S	S	*	*			trans	-146.1	147.3	133.9	166.1	0	0	0	0	109.3
487	R	27	Very low	27.8	Very low	237 Å²	237	146 Å²	146	89%	0.894	81%	0.812	S	S	*	*			trans	-92.2	144.9	168.9	-95.9	-178.1	162.8	88.2	-5.5	111.1
488	A	25.5	Very low	27.9	Very low	101 Å²	101	147.1 Å²	147.1	84%	0.835	81%	0.814	S	S	*	*			trans	-147.3	146.2	154.5	0	0	0	0	0	110.2
489	E	24.8	Very low	27.6	Very low	205 Å²	205	149.5 Å²	149.5	96%	0.958	82%	0.822	S	S	*	*			trans	-97.6	153.6	173.3	-64.2	169.1	132.2	0	0	109.4
490	G	26.5	Very low	27.9	Very low	74 Å²	74	151.2 Å²	151.2	76%	0.763	82%	0.821	S	S	*	*			trans	-175.6	97.2	179.9	0	0	0	0	0	113.1
491	T	28.7	Very low	28	Very low	146 Å²	146	153.1 Å²	153.1	90%	0.896	83%	0.828	S	S	*	*			trans	-93.8	108.1	175	50.7	0	0	0	0	110.4
492	T	28.7	Very low	28.3	Very low	119 Å²	119	151.7 Å²	151.7	73%	0.73	83%	0.827	S	S	*	*			trans	-132	105.6	171.7	-46.7	0	0	0	0	111.7
493	D	24.9	Very low	28.9	Very low	137 Å²	137	155.4 Å²	155.4	73%	0.733	84%	0.835	S	S	*	*			trans	-8.7	127.4	147.7	-154.6	-5.2	0	0	0	117.5
494	W	26.6	Very low	29.7	Very low	248 Å²	248	153 Å²	153	94%	0.939	83%	0.832	S	S	*	*			trans	-110.8	75.8	171.6	-79.5	93.8	0	0	0	109.8
495	S	31.3	Very low	29.8	Very low	106 Å²	106	154.3 Å²	154.3	74%	0.741	83%	0.829	S	S	*	*			trans	-151.2	40.7	177.8	-79.6	0	0	0	0	113.8
496	S	28.4	Very low	30.5	Very low	119 Å²	119	150.3 Å²	150.3	83%	0.832	81%	0.814	S	S	*	*			trans	-161.3	92	162.6	-169.9	0	0	0	0	113.3
497	F	27.4	Very low	30.8	Very low	206 Å²	206	146.5 Å²	146.5	90%	0.904	80%	0.803	S	S	*	*			trans	-162.6	65.9	153.4	-151.1	-91.1	0	0	0	112
498	M	29.7	Very low	31.4	Very low	186 Å²	186	144 Å²	144	92%	0.916	79%	0.794	S	S	*	*			trans	-155.4	72.3	173.5	-135	177.1	-171.4	0	0	112.7
499	D	29.2	Very low	32	Very low	154 Å²	154	143 Å²	143	82%	0.824	78%	0.778	S	S	*	*	S	Bend	trans	-149.1	154.2	159.7	-90.9	-46.2	0	0	0	109.2
500	D	33.9	Very low	32.8	Very low	155 Å²	155	139 Å²	139	83%	0.829	76%	0.759	S	S	*	*			trans	54.4	74.7	167.6	-61.6	-24.7	0	0	0	120.2
501	V	28.3	Very low	33.4	Very low	148 Å²	148	140.7 Å²	140.7	90%	0.897	75%	0.75	S	S	*	*			trans	-137.6	130	145.9	-178.7	0	0	0	0	109.9
502	D	31.1	Very low	34	Very low	155 Å²	155	138.9 Å²	138.9	83%	0.829	74%	0.735	S	S	*	*			trans	-69.9	153.8	-172.5	-92.9	-60.2	0	0	0	116.5	V504	D502-V504 PolarHBondContact O-N 3.08Å
503	E	47.7	Very low	34.7	Very low	179 Å²	179	136.9 Å²	136.9	84%	0.836	72%	0.722	S	S	*	*	S	Bend	trans	-70.1	83.8	176.8	-76.4	-164.9	115.3	0	0	114
504	V	39.3	Very low	35.6	Very low	120 Å²	120	136 Å²	136	73%	0.727	71%	0.714	S	S	*	*	S	Bend	trans	-138.4	149.1	152.8	-166.9	0	0	0	0	111.1	D502 V506	D502-V504 PolarHBondContact O-N 3.08Å; V504-V506 VanDerWaalsContact C-N 3.35Å; V504-V506 PolarHBondContact O-N 3.38Å
505	E	36.5	Very low	36.4	Very low	130 Å²	130	129.3 Å²	129.3	61%	0.607	69%	0.691	S	S	*	*	S	Bend	trans	72.3	-24.9	165.9	-155.4	129.3	-116.5	0	0	119.7	G507 R508 V509	E505-G507 PolarHBondContact O-N 3.27Å; E505-R508 PolarHBondContact O-N 3.47Å; E505-V509 HydrophobicContact CG-CG2 4.4Å
506	V	37.4	Very low	37	Very low	89 Å²	89	128.5 Å²	128.5	54%	0.539	68%	0.676	S	S	.	*	H	α-helix	trans	-49	-52.8	-178.5	178.8	0	0	0	0	113	V504 R508 V509 E510	V504-V506 VanDerWaalsContact C-N 3.35Å; V504-V506 PolarHBondContact O-N 3.38Å; V506-R508 PolarHBondContact O-N 2.87Å; V506-V509 PolarHBondContact O-N 3.14Å; V506-E510 HydrophobicContact CG1-CG 4.13Å; V506-E510 PolarHBondContact O-N 3.32Å
507	G	34.5	Very low	37.6	Very low	62 Å²	62	127.7 Å²	127.7	64%	0.639	66%	0.66	S	S	*	*	H	α-helix	trans	-69.6	13.8	-179.4	0	0	0	0	0	116.1	E505	E505-G507 PolarHBondContact O-N 3.27Å
508	R	39.6	Very low	38.3	Very low	184 Å²	184	120.1 Å²	120.1	69%	0.694	63%	0.628	S	S	*	*	H	α-helix	trans	-114.9	-23	167	-158.9	-176.8	-158.5	167.4	6.7	112.4	E505 V506 L512	E505-R508 PolarHBondContact O-N 3.47Å; V506-R508 PolarHBondContact O-N 2.87Å; R508-L512 VanDerWaalsContact O-CB 3.27Å; R508-L512 WeakPolarHBondContact O-CB 3.02Å
509	V	36.7	Very low	39	Very low	82 Å²	82	116.2 Å²	116.2	50%	0.497	61%	0.608	S	S	.	*	H	α-helix	trans	-85.3	-44.1	179.7	-178.2	0	0	0	0	110.4	E505 V506 L512 V513	E505-V509 HydrophobicContact CG-CG2 4.4Å; V506-V509 PolarHBondContact O-N 3.14Å; V509-L512 PolarHBondContact O-N 2.86Å; V509-V513 HydrophobicContact CG1-CG2 4.27Å; V509-V513 WeakPolarHBondContact O-CB 3.25Å; V509-V513 WeakPolarHBondContact O-CG2 3.48Å; V509-V513 PolarHBondContact O-N 3.16Å
510	E	42.2	Very low	39.9	Very low	121 Å²	121	115.9 Å²	115.9	57%	0.565	60%	0.595	S	S	*	*	H	α-helix	trans	-59.2	-53.5	176.5	-63.9	175.4	146.3	0	0	111.1	V506 L512 V513 E514	V506-E510 HydrophobicContact CG1-CG 4.13Å; V506-E510 PolarHBondContact O-N 3.32Å; E510-L512 PolarHBondContact O-N 2.87Å; E510-L512 VanDerWaalsContact O-N 3.15Å; E510-V513 PolarHBondContact O-N 2.85Å; E510-V513 VanDerWaalsContact O-N 3.16Å; E510-E514 PolarHBondContact O-N 3.15Å
511	D	39.5	Very low	40.3	Very low	109 Å²	109	111.5 Å²	111.5	58%	0.583	57%	0.57	S	S	*	*	H	α-helix	trans	-56.6	-31.1	177.2	-129	26.1	0	0	0	112	K515	D511-K515 WeakPolarHBondContact O-CB 3.29Å; D511-K515 PolarHBondContact O-N 2.92Å
512	L	41.3	Very low	41.1	Very low	108 Å²	108	107.5 Å²	107.5	57%	0.565	54%	0.543	S	S	*	.	H	α-helix	trans	-83.7	-37.8	178.4	-172.4	66.3	0	0	0	112.9	R508 V509 E510 Q516	R508-L512 VanDerWaalsContact O-CB 3.27Å; R508-L512 WeakPolarHBondContact O-CB 3.02Å; V509-L512 PolarHBondContact O-N 2.86Å; E510-L512 PolarHBondContact O-N 2.87Å; E510-L512 VanDerWaalsContact O-N 3.15Å; L512-Q516 WeakPolarHBondContact O-CB 3.39Å; L512-Q516 PolarHBondContact O-N 3.21Å
513	V	43.8	Very low	41.6	Very low	76 Å²	76	102.3 Å²	102.3	46%	0.461	52%	0.522	S	S	.	.	H	α-helix	trans	-69.7	-46.7	176.5	170.2	0	0	0	0	110.3	V509 E510 Q516 M517	V509-V513 HydrophobicContact CG1-CG2 4.27Å; V509-V513 WeakPolarHBondContact O-CB 3.25Å; V509-V513 WeakPolarHBondContact O-CG2 3.48Å; V509-V513 PolarHBondContact O-N 3.16Å; E510-V513 PolarHBondContact O-N 2.85Å; E510-V513 VanDerWaalsContact O-N 3.16Å; V513-Q516 PolarHBondContact O-N 2.87Å; V513-M517 HydrophobicContact CG1-SD 4.34Å; V513-M517 WeakPolarHBondContact O-CG 3.35Å; V513-M517 PolarHBondContact O-N 3.4Å
514	E	43.8	Very low	41.4	Very low	120 Å²	120	100.9 Å²	100.9	56%	0.561	52%	0.515	S	S	*	.	H	α-helix	trans	-63.3	-44.1	175.2	-69.9	-157.2	152.6	0	0	111.3	E510 Q516 M517 L518	E510-E514 PolarHBondContact O-N 3.15Å; E514-Q516 VanDerWaalsContact C-N 3.32Å; E514-Q516 PolarHBondContact O-N 3.21Å; E514-M517 PolarHBondContact O-N 3.35Å; E514-L518 WeakPolarHBondContact O-CB 3.21Å; E514-L518 PolarHBondContact O-N 3.48Å
515	K	43.1	Very low	41.5	Very low	106 Å²	106	99 Å²	99	46%	0.461	51%	0.506	S	S	.	.	H	α-helix	trans	-57	-45.4	172.5	176.7	-178.8	168.4	-175.3	0	111.4	D511 L518 E519	D511-K515 WeakPolarHBondContact O-CB 3.29Å; D511-K515 PolarHBondContact O-N 2.92Å; K515-L518 PolarHBondContact O-N 3.07Å; K515-E519 WeakPolarHBondContact CE-OE1 3.3Å; K515-E519 WeakPolarHBondContact CE-OE2 3.47Å; K515-E519 HydrophobicContact CG-CG 4.26Å; K515-E519 IonicContact NZ-OE1 3.43Å; K515-E519 PolarHBondContact NZ-OE1 3.43Å; K515-E519 WeakPolarHBondContact O-CB 3.47Å; K515-E519 WeakPolarHBondContact O-CG 3.06Å; K515-E519 PolarHBondContact O-N 3.18Å
516	Q	43	Very low	41.4	Very low	90 Å²	90	95.6 Å²	95.6	42%	0.421	50%	0.497	S	S	.	.	H	α-helix	trans	-69.2	-32.8	-179.6	-173	175.2	91	0	0	112.6	L512 V513 E514 R520	L512-Q516 WeakPolarHBondContact O-CB 3.39Å; L512-Q516 PolarHBondContact O-N 3.21Å; V513-Q516 PolarHBondContact O-N 2.87Å; E514-Q516 VanDerWaalsContact C-N 3.32Å; E514-Q516 PolarHBondContact O-N 3.21Å; Q516-R520 VanDerWaalsContact CD-NH2 3.32Å; Q516-R520 VanDerWaalsContact O-CG 3.3Å; Q516-R520 WeakPolarHBondContact O-CG 3.39Å; Q516-R520 PolarHBondContact O-N 2.81Å
517	M	41.4	Very low	41.2	Very low	101 Å²	101	97 Å²	97	50%	0.498	50%	0.501	S	S	.	.	H	α-helix	trans	-65.7	-40.2	170.6	-73.5	179.6	68	0	0	111.7	V513 E514 R520 Q521	V513-M517 HydrophobicContact CG1-SD 4.34Å; V513-M517 WeakPolarHBondContact O-CG 3.35Å; V513-M517 PolarHBondContact O-N 3.4Å; E514-M517 PolarHBondContact O-N 3.35Å; M517-R520 PolarHBondContact O-N 2.85Å; M517-Q521 WeakPolarHBondContact O-CG 3.41Å; M517-Q521 PolarHBondContact O-N 2.89Å
518	L	43	Very low	41.5	Very low	47 Å²	47	99 Å²	99	25%	0.246	50%	0.501	C	S	.	.	H	α-helix	trans	-75.7	-35.8	179.4	-134.9	161.4	0	0	0	112.1	Q419 E514 K515 R520 Q521 L522	Q419-L518 VanDerWaalsContact NE2-CD1 3.34Å; E514-L518 WeakPolarHBondContact O-CB 3.21Å; E514-L518 PolarHBondContact O-N 3.48Å; K515-L518 PolarHBondContact O-N 3.07Å; L518-R520 VanDerWaalsContact C-N 3.33Å; L518-Q521 PolarHBondContact O-N 3.23Å; L518-L522 HydrophobicContact CD2-CD1 3.6Å; L518-L522 HydrophobicContact CD2-CG 3.94Å; L518-L522 WeakPolarHBondContact O-CB 3.5Å; L518-L522 VanDerWaalsContact O-CG 3.27Å; L518-L522 WeakPolarHBondContact O-CG 3.49Å; L518-L522 PolarHBondContact O-N 3.02Å
519	E	44.6	Very low	41.2	Very low	104 Å²	104	94.8 Å²	94.8	49%	0.486	50%	0.499	S	S	.	.	H	α-helix	trans	-63.3	-37	169.9	-77.4	178.6	156.3	0	0	111.4	K515 L522 A523	K515-E519 WeakPolarHBondContact CE-OE1 3.3Å; K515-E519 WeakPolarHBondContact CE-OE2 3.47Å; K515-E519 HydrophobicContact CG-CG 4.26Å; K515-E519 IonicContact NZ-OE1 3.43Å; K515-E519 PolarHBondContact NZ-OE1 3.43Å; K515-E519 WeakPolarHBondContact O-CB 3.47Å; K515-E519 WeakPolarHBondContact O-CG 3.06Å; K515-E519 PolarHBondContact O-N 3.18Å; E519-L522 PolarHBondContact O-N 3.04Å; E519-A523 WeakPolarHBondContact O-CB 3.21Å; E519-A523 PolarHBondContact O-N 2.96Å
520	R	47.3	Very low	41.1	Very low	147 Å²	147	98.6 Å²	98.6	56%	0.555	51%	0.512	S	S	*	.	H	α-helix	trans	-64	-49.5	169.8	-74.6	173	-174.9	136.7	9.1	112.1	Q516 M517 L518 L522 A523 E524	Q516-R520 VanDerWaalsContact CD-NH2 3.32Å; Q516-R520 VanDerWaalsContact O-CG 3.3Å; Q516-R520 WeakPolarHBondContact O-CG 3.39Å; Q516-R520 PolarHBondContact O-N 2.81Å; M517-R520 PolarHBondContact O-N 2.85Å; L518-R520 VanDerWaalsContact C-N 3.33Å; R520-L522 PolarHBondContact O-N 2.98Å; R520-A523 PolarHBondContact O-N 2.96Å; R520-A523 VanDerWaalsContact O-N 3.14Å; R520-E524 PolarHBondContact O-N 3.21Å; R520-E524 VanDerWaalsContact O-N 3.17Å
521	Q	43.3	Very low	41.1	Very low	63 Å²	63	98.4 Å²	98.4	29%	0.294	52%	0.519	S	S	.	.	H	α-helix	trans	-63	-19.8	177.9	-73.2	175.7	1.4	0	0	113.6	M517 L518	M517-Q521 WeakPolarHBondContact O-CG 3.41Å; M517-Q521 PolarHBondContact O-N 2.89Å; L518-Q521 PolarHBondContact O-N 3.23Å
522	L	44.9	Very low	40.6	Very low	65 Å²	65	104.7 Å²	104.7	34%	0.34	55%	0.551	S	S	.	*	H	α-helix	trans	-94.4	-30.8	173	-68.9	170.3	0	0	0	113	P410 L518 E519 R520 C525 S526	P410-L522 HydrophobicContact CG-CD1 4.35Å; P410-L522 HydrophobicContact CG-CD2 4.44Å; L518-L522 HydrophobicContact CD2-CD1 3.6Å; L518-L522 HydrophobicContact CD2-CG 3.94Å; L518-L522 WeakPolarHBondContact O-CB 3.5Å; L518-L522 VanDerWaalsContact O-CG 3.27Å; L518-L522 WeakPolarHBondContact O-CG 3.49Å; L518-L522 PolarHBondContact O-N 3.02Å; E519-L522 PolarHBondContact O-N 3.04Å; R520-L522 PolarHBondContact O-N 2.98Å; L522-C525 WeakPolarHBondContact O-CA 2.78Å; L522-C525 VanDerWaalsContact O-CB 3.25Å; L522-C525 WeakPolarHBondContact O-CB 3.36Å; L522-C525 PolarHBondContact O-N 2.96Å; L522-S526 PolarHBondContact O-N 2.99Å
523	A	40.6	Very low	40.6	Very low	46 Å²	46	104.6 Å²	104.6	38%	0.38	55%	0.55	S	S	.	*	H	α-helix	trans	-66.5	-38	177	0	0	0	0	0	112.4	E519 R520 C525 S526 D527	E519-A523 WeakPolarHBondContact O-CB 3.21Å; E519-A523 PolarHBondContact O-N 2.96Å; R520-A523 PolarHBondContact O-N 2.96Å; R520-A523 VanDerWaalsContact O-N 3.14Å; A523-C525 PolarHBondContact O-N 3.38Å; A523-C525 VanDerWaalsContact O-N 3.12Å; A523-S526 WeakPolarHBondContact CA-OG 3.01Å; A523-S526 PolarHBondContact O-N 3.07Å; A523-S526 PolarHBondContact O-OG 2.82Å; A523-D527 PolarHBondContact O-N 3.32Å
524	E	43.3	Very low	40.4	Very low	149 Å²	149	106.1 Å²	106.1	70%	0.696	56%	0.555	S	S	*	*	H	α-helix	trans	-58.8	-22	170.3	-69	-175.2	135.5	0	0	112.6	R520	R520-E524 PolarHBondContact O-N 3.21Å; R520-E524 VanDerWaalsContact O-N 3.17Å
525	C	40.8	Very low	40.3	Very low	79 Å²	79	105.3 Å²	105.3	53%	0.534	56%	0.555	S	S	.	*	H	α-helix	trans	-86.3	-19.5	175.5	-161.7	0	0	0	0	113.3	L522 A523	L522-C525 WeakPolarHBondContact O-CA 2.78Å; L522-C525 VanDerWaalsContact O-CB 3.25Å; L522-C525 WeakPolarHBondContact O-CB 3.36Å; L522-C525 PolarHBondContact O-N 2.96Å; A523-C525 PolarHBondContact O-N 3.38Å; A523-C525 VanDerWaalsContact O-N 3.12Å
526	S	35.4	Very low	40.1	Very low	59 Å²	59	105.2 Å²	105.2	41%	0.413	56%	0.56	S	S	.	*	H	α-helix	trans	-83.3	-37.5	177.2	42	0	0	0	0	113.9	L522 A523 V528 S529	L522-S526 PolarHBondContact O-N 2.99Å; A523-S526 WeakPolarHBondContact CA-OG 3.01Å; A523-S526 PolarHBondContact O-N 3.07Å; A523-S526 PolarHBondContact O-OG 2.82Å; S526-V528 VanDerWaalsContact C-N 3.26Å; S526-V528 PolarHBondContact O-N 3.13Å; S526-S529 VanDerWaalsContact O-CB 3.29Å; S526-S529 WeakPolarHBondContact O-CB 3.27Å; S526-S529 PolarHBondContact O-N 3.42Å
527	D	33.2	Very low	39.9	Very low	119 Å²	119	106.2 Å²	106.2	64%	0.636	57%	0.569	S	S	*	*	H	α-helix	trans	-64.2	-30.7	-176.6	-77.5	-17.1	0	0	0	113.1	A523 S529 H530	A523-D527 PolarHBondContact O-N 3.32Å; D527-S529 PolarHBondContact O-N 3.38Å; D527-H530 PolarHBondContact O-N 2.87Å; D527-H530 VanDerWaalsContact O-N 3.15Å
528	V	41	Very low	39.8	Very low	104 Å²	104	106.5 Å²	106.5	63%	0.63	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-64.1	-20.3	174.1	-173	0	0	0	0	112.2	S526 H530	S526-V528 VanDerWaalsContact C-N 3.26Å; S526-V528 PolarHBondContact O-N 3.13Å; V528-H530 VanDerWaalsContact C-N 3.31Å; V528-H530 PolarHBondContact O-N 2.96Å
529	S	33.5	Very low	39.6	Very low	95 Å²	95	110.8 Å²	110.8	66%	0.664	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-81.5	-6.1	177.7	-56.8	0	0	0	0	113.9	S526 D527	S526-S529 VanDerWaalsContact O-CB 3.29Å; S526-S529 WeakPolarHBondContact O-CB 3.27Å; S526-S529 PolarHBondContact O-N 3.42Å; D527-S529 PolarHBondContact O-N 3.38Å
530	H	34.9	Very low	39.2	Very low	163 Å²	163	111.3 Å²	111.3	76%	0.755	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-109.9	12	-177.9	-79.2	-65.8	0	0	0	114.5	D527 V528	D527-H530 PolarHBondContact O-N 2.87Å; D527-H530 VanDerWaalsContact O-N 3.15Å; V528-H530 VanDerWaalsContact C-N 3.31Å; V528-H530 PolarHBondContact O-N 2.96Å
531	T	40.6	Very low	38.5	Very low	117 Å²	117	108.3 Å²	108.3	72%	0.718	61%	0.61	S	S	*	*			trans	-132.8	56	177.8	43.2	0	0	0	0	113.7
532	L	30.6	Very low	38.1	Very low	241 Å²	241	112.5 Å²	112.5	100%	1.262	64%	0.639	S	S	*	*			trans	-137	0	165.1	-87.9	172.5	0	0	0	110.9

Retrieved 532 of 532 residues in 261 ms (Link to these results)

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