A0A077Z2T2_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2T2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 288 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	37.3	Very low	203 Å²	203	128.8 Å²	128.8	100%	1	66%	0.661	S	S	*	*				0	-47.1	0	-154.3	166.4	171.1	0	0	111.1	E3 A4	M1-E3 PolarHBondContact O-N 3.2Å; M1-A4 PolarHBondContact O-N 3.19Å
2	N	37	Very low	38.8	Very low	139 Å²	139	124.5 Å²	124.5	74%	0.743	65%	0.646	S	S	*	*	H	α-helix	trans	-67.1	-28.6	177.8	-67.3	-10.8	0	0	0	115.2	A6	N2-A6 PolarHBondContact O-N 2.68Å
3	E	34.6	Very low	40.4	Very low	162 Å²	162	124 Å²	124	76%	0.757	65%	0.645	S	S	*	*	H	α-helix	trans	-76.8	-23.7	179.6	-70.5	177.6	157.4	0	0	114.3	M1 K7	M1-E3 PolarHBondContact O-N 3.2Å; E3-K7 PolarHBondContact O-N 3.48Å
4	A	34.3	Very low	41.2	Very low	72 Å²	72	124.8 Å²	124.8	60%	0.595	64%	0.644	S	S	*	*	H	α-helix	trans	-76.3	-37.2	176.3	0	0	0	0	0	111.3	M1 A6 K7	M1-A4 PolarHBondContact O-N 3.19Å; A4-A6 VanDerWaalsContact C-N 3.34Å; A4-K7 PolarHBondContact O-N 3.13Å
5	L	35.9	Very low	41.6	Very low	99 Å²	99	119.5 Å²	119.5	52%	0.518	62%	0.619	S	S	.	*	H	α-helix	trans	-68.1	-31.2	172.2	-83.9	147.9	0	0	0	112.5	K7 E8	L5-K7 VanDerWaalsContact C-N 3.34Å; L5-E8 PolarHBondContact O-N 3.46Å
6	A	36.1	Very low	42.5	Very low	64 Å²	64	117.8 Å²	117.8	53%	0.529	61%	0.605	S	S	.	*	H	α-helix	trans	-68.7	-31.1	177.1	0	0	0	0	0	113	N2 A4	N2-A6 PolarHBondContact O-N 2.68Å; A4-A6 VanDerWaalsContact C-N 3.34Å
7	K	39.5	Very low	43.5	Very low	157 Å²	157	115.2 Å²	115.2	68%	0.683	59%	0.593	S	S	*	*	H	α-helix	trans	-80.8	-15.1	178	-71.3	-174.4	177	-173.7	0	114.2	E3 A4 L5 N9	E3-K7 PolarHBondContact O-N 3.48Å; A4-K7 PolarHBondContact O-N 3.13Å; L5-K7 VanDerWaalsContact C-N 3.34Å; K7-N9 VanDerWaalsContact C-N 3.26Å; K7-N9 PolarHBondContact O-N 2.91Å
8	E	38	Very low	43.9	Very low	118 Å²	118	112.2 Å²	112.2	55%	0.551	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-72.8	-18	173.3	-81	-172.7	143.1	0	0	113.2	L5 E10 Y11	L5-E8 PolarHBondContact O-N 3.46Å; E8-E10 VanDerWaalsContact C-N 3.34Å; E8-E10 PolarHBondContact O-N 2.7Å; E8-Y11 WeakPolarHBondContact O-CD2 3.44Å
9	N	38.2	Very low	44.2	Very low	132 Å²	132	111.8 Å²	111.8	71%	0.706	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-84.6	-3.2	-176.9	-77.2	-25.7	0	0	0	114.6	K7	K7-N9 VanDerWaalsContact C-N 3.26Å; K7-N9 PolarHBondContact O-N 2.91Å
10	E	38.5	Very low	45.5	Very low	173 Å²	173	111.8 Å²	111.8	81%	0.808	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-93.6	-1	-176.2	-117.7	173.3	-179.6	0	0	114.3	E8	E8-E10 VanDerWaalsContact C-N 3.34Å; E8-E10 PolarHBondContact O-N 2.7Å
11	Y	40.6	Very low	46.2	Very low	98 Å²	98	106.5 Å²	106.5	38%	0.384	53%	0.534	S	S	.	.	S	Bend	trans	-79.9	131.6	178.3	-69.5	-77.1	0	0	0	111.9	E8 T15 K16 R19	E8-Y11 WeakPolarHBondContact O-CD2 3.44Å; Y11-T15 HydrophobicContact CD1-CG2 3.68Å; Y11-T15 HydrophobicContact CE1-CG2 4.37Å; Y11-T15 HydrophobicContact CG-CG2 4.38Å; Y11-K16 WeakPolarHBondContact O-CE 3.31Å; Y11-R19 PolarHBondContact OH-NH2 2.7Å; Y11-R19 VanDerWaalsContact OH-NH2 3.16Å
12	T	56	Low	46.9	Very low	77 Å²	77	99.3 Å²	99.3	47%	0.472	50%	0.501	S	S	.	.			trans	-55.3	150.3	171.9	57.1	0	0	0	0	111.2	E14 T15 K16	T12-E14 PolarHBondContact O-N 2.91Å; T12-E14 VanDerWaalsContact O-N 3.15Å; T12-T15 WeakPolarHBondContact O-CB 3.37Å; T12-T15 PolarHBondContact O-N 2.9Å; T12-T15 PolarHBondContact OG1-OG1 3.41Å; T12-K16 PolarHBondContact O-N 2.98Å
13	D	59.1	Low	47.9	Very low	118 Å²	118	99.4 Å²	99.4	63%	0.631	50%	0.495	S	S	*	.	H	α-helix	trans	-57.5	-29.3	179.7	-71.6	-30.7	0	0	0	112.5	K16 N17	D13-K16 PolarHBondContact O-N 3.49Å; D13-K16 IonicContact OD1-NZ 2.7Å; D13-N17 WeakPolarHBondContact O-CB 3.49Å; D13-N17 PolarHBondContact O-N 2.91Å; D13-N17 PolarHBondContact O-ND2 3.47Å
14	E	51.5	Low	49.3	Very low	135 Å²	135	94.9 Å²	94.9	63%	0.631	47%	0.474	S	S	*	.	H	α-helix	trans	-62.4	-44.9	172	-66.6	157.4	176.6	0	0	112.3	T12 K16 N17 M18	T12-E14 PolarHBondContact O-N 2.91Å; T12-E14 VanDerWaalsContact O-N 3.15Å; E14-K16 VanDerWaalsContact C-N 3.32Å; E14-K16 PolarHBondContact O-N 3.26Å; E14-N17 PolarHBondContact O-N 2.96Å; E14-M18 WeakPolarHBondContact O-CB 3.29Å; E14-M18 PolarHBondContact O-N 3.16Å
15	T	47.1	Very low	50.3	Low	45 Å²	45	91.6 Å²	91.6	28%	0.276	45%	0.446	S	S	.	.	H	α-helix	trans	-67.5	-34.6	178.8	-49.3	0	0	0	0	111.4	Y11 T12 R19	Y11-T15 HydrophobicContact CD1-CG2 3.68Å; Y11-T15 HydrophobicContact CE1-CG2 4.37Å; Y11-T15 HydrophobicContact CG-CG2 4.38Å; T12-T15 WeakPolarHBondContact O-CB 3.37Å; T12-T15 PolarHBondContact O-N 2.9Å; T12-T15 PolarHBondContact OG1-OG1 3.41Å; T15-R19 WeakPolarHBondContact O-CB 3.42Å; T15-R19 WeakPolarHBondContact O-CG 3.05Å; T15-R19 PolarHBondContact O-N 3.26Å
16	K	55.6	Low	51	Low	92 Å²	92	90.6 Å²	90.6	40%	0.4	44%	0.441	S	S	.	.	H	α-helix	trans	-67.5	-42.8	173.8	-67.7	176.2	-172.9	160.2	0	111.4	Y11 T12 D13 E14 R19 R20	Y11-K16 WeakPolarHBondContact O-CE 3.31Å; T12-K16 PolarHBondContact O-N 2.98Å; D13-K16 PolarHBondContact O-N 3.49Å; D13-K16 IonicContact OD1-NZ 2.7Å; E14-K16 VanDerWaalsContact C-N 3.32Å; E14-K16 PolarHBondContact O-N 3.26Å; K16-R19 PolarHBondContact O-N 2.9Å; K16-R20 PolarHBondContact O-N 2.74Å
17	N	60.9	Low	52	Low	75 Å²	75	92.5 Å²	92.5	40%	0.401	44%	0.442	S	S	.	.	H	α-helix	trans	-64	-43.3	176.3	-80.8	-23.7	0	0	0	112.2	D13 E14 R20 L21	D13-N17 WeakPolarHBondContact O-CB 3.49Å; D13-N17 PolarHBondContact O-N 2.91Å; D13-N17 PolarHBondContact O-ND2 3.47Å; E14-N17 PolarHBondContact O-N 2.96Å; N17-R20 WeakPolarHBondContact O-CB 3.5Å; N17-R20 PolarHBondContact O-N 3.44Å; N17-L21 WeakPolarHBondContact O-CG 3.28Å; N17-L21 PolarHBondContact O-N 3.23Å
18	M	50.1	Low	52.7	Low	60 Å²	60	85.3 Å²	85.3	30%	0.296	41%	0.411	S	S	.	.	H	α-helix	trans	-62.5	-45.8	176.7	-167.6	-176.4	-67.6	0	0	111.6	E14 R20 L21 V22 L48	E14-M18 WeakPolarHBondContact O-CB 3.29Å; E14-M18 PolarHBondContact O-N 3.16Å; M18-R20 VanDerWaalsContact C-N 3.3Å; M18-R20 PolarHBondContact O-N 2.91Å; M18-L21 PolarHBondContact O-N 3.31Å; M18-V22 VanDerWaalsContact O-CG2 3.31Å; M18-V22 WeakPolarHBondContact O-CG2 3.44Å; M18-V22 PolarHBondContact O-N 2.9Å; M18-L48 HydrophobicContact CG-CD1 4.21Å
19	R	50.1	Low	53	Low	106 Å²	106	80.9 Å²	80.9	40%	0.4	39%	0.392	S	S	.	.	H	α-helix	trans	-62.1	-35	175.2	-77	179.8	178.6	169.7	2.5	113	Y11 T15 K16 K23	Y11-R19 PolarHBondContact OH-NH2 2.7Å; Y11-R19 VanDerWaalsContact OH-NH2 3.16Å; T15-R19 WeakPolarHBondContact O-CB 3.42Å; T15-R19 WeakPolarHBondContact O-CG 3.05Å; T15-R19 PolarHBondContact O-N 3.26Å; K16-R19 PolarHBondContact O-N 2.9Å; R19-K23 WeakPolarHBondContact O-CB 3.39Å; R19-K23 VanDerWaalsContact O-CG 3.28Å; R19-K23 WeakPolarHBondContact O-CG 3.33Å; R19-K23 PolarHBondContact O-N 2.96Å; R19-K23 VanDerWaalsContact O-N 3.09Å
20	R	70.7	Confident	53.1	Low	110 Å²	110	78.9 Å²	78.9	42%	0.415	39%	0.388	S	S	.	.	H	α-helix	trans	-64.2	-50.3	174.7	-176.4	-175.6	70.2	87.5	-0.8	110.8	K16 N17 M18 V22 K23 E24	K16-R20 PolarHBondContact O-N 2.74Å; N17-R20 WeakPolarHBondContact O-CB 3.5Å; N17-R20 PolarHBondContact O-N 3.44Å; M18-R20 VanDerWaalsContact C-N 3.3Å; M18-R20 PolarHBondContact O-N 2.91Å; R20-V22 PolarHBondContact O-N 3.22Å; R20-K23 PolarHBondContact O-N 3.32Å; R20-E24 WeakPolarHBondContact CG-OE1 3.22Å; R20-E24 IonicContact CZ-OE1 2.73Å; R20-E24 IonicContact NH1-OE1 3.87Å; R20-E24 PolarHBondContact NH1-OE1 2.92Å; R20-E24 IonicContact NH1-OE2 3.74Å; R20-E24 PolarHBondContact NH1-OE2 3.45Å; R20-E24 WeakPolarHBondContact O-CG 3.31Å; R20-E24 PolarHBondContact O-N 3.44Å
21	L	59.2	Low	53.6	Low	2 Å²	2	75.2 Å²	75.2	1%	0.01	37%	0.371	C	S	.	.	H	α-helix	trans	-62.1	-44.7	-179.5	-70.5	171.7	0	0	0	111.9	N17 M18 K23 E24 L25 L44 E47 L48 V51	N17-L21 WeakPolarHBondContact O-CG 3.28Å; N17-L21 PolarHBondContact O-N 3.23Å; M18-L21 PolarHBondContact O-N 3.31Å; L21-K23 VanDerWaalsContact C-N 3.34Å; L21-K23 PolarHBondContact O-N 3.05Å; L21-E24 PolarHBondContact O-N 3.34Å; L21-L25 WeakPolarHBondContact O-CB 3.37Å; L21-L25 VanDerWaalsContact O-CD1 3.27Å; L21-L25 WeakPolarHBondContact O-CD1 3.42Å; L21-L25 WeakPolarHBondContact O-CG 3.34Å; L21-L25 PolarHBondContact O-N 3.27Å; L21-L44 HydrophobicContact CD2-CD2 3.78Å; L21-E47 HydrophobicContact CD1-CB 4.21Å; L21-E47 HydrophobicContact CD2-CB 3.91Å; L21-E47 WeakPolarHBondContact CD2-OE2 3.48Å; L21-L48 HydrophobicContact CB-CD1 3.82Å; L21-L48 HydrophobicContact CD1-CB 4.39Å; L21-L48 HydrophobicContact CD1-CD1 3.94Å; L21-V51 HydrophobicContact CD1-CG2 4Å
22	V	52.9	Low	53.6	Low	52 Å²	52	77.9 Å²	77.9	32%	0.315	39%	0.392	S	S	.	.	H	α-helix	trans	-61.7	-40.7	176.2	172.6	0	0	0	0	111.5	M18 R20 L25 L26 L48	M18-V22 VanDerWaalsContact O-CG2 3.31Å; M18-V22 WeakPolarHBondContact O-CG2 3.44Å; M18-V22 PolarHBondContact O-N 2.9Å; R20-V22 PolarHBondContact O-N 3.22Å; V22-L25 PolarHBondContact O-N 3.4Å; V22-L26 HydrophobicContact CG1-CD1 4.02Å; V22-L26 HydrophobicContact CG1-CG 4.48Å; V22-L26 WeakPolarHBondContact O-CB 3.44Å; V22-L26 VanDerWaalsContact O-CG 3.3Å; V22-L26 WeakPolarHBondContact O-CG 3.47Å; V22-L26 PolarHBondContact O-N 2.82Å; V22-L48 HydrophobicContact CG2-CD1 4.46Å
23	K	56.9	Low	53.1	Low	141 Å²	141	80.4 Å²	80.4	61%	0.613	39%	0.393	S	S	*	.	H	α-helix	trans	-65.6	-39.9	175	-79.1	179.1	179	-176.6	0	112.8	R19 R20 L21 L25 L26 N27	R19-K23 WeakPolarHBondContact O-CB 3.39Å; R19-K23 VanDerWaalsContact O-CG 3.28Å; R19-K23 WeakPolarHBondContact O-CG 3.33Å; R19-K23 PolarHBondContact O-N 2.96Å; R19-K23 VanDerWaalsContact O-N 3.09Å; R20-K23 PolarHBondContact O-N 3.32Å; L21-K23 VanDerWaalsContact C-N 3.34Å; L21-K23 PolarHBondContact O-N 3.05Å; K23-L25 VanDerWaalsContact C-N 3.33Å; K23-L26 PolarHBondContact O-N 3.3Å; K23-N27 WeakPolarHBondContact O-CB 3.37Å; K23-N27 VanDerWaalsContact O-CG 3.27Å; K23-N27 PolarHBondContact O-N 3.49Å; K23-N27 PolarHBondContact O-ND2 2.97Å
24	E	63.9	Low	52.4	Low	67 Å²	67	77.4 Å²	77.4	31%	0.313	38%	0.381	S	S	.	.	H	α-helix	trans	-64.9	-40.5	175.8	-74.9	177.2	-157.8	0	0	111.1	R20 L21 N27 L28 L44	R20-E24 WeakPolarHBondContact CG-OE1 3.22Å; R20-E24 IonicContact CZ-OE1 2.73Å; R20-E24 IonicContact NH1-OE1 3.87Å; R20-E24 PolarHBondContact NH1-OE1 2.92Å; R20-E24 IonicContact NH1-OE2 3.74Å; R20-E24 PolarHBondContact NH1-OE2 3.45Å; R20-E24 WeakPolarHBondContact O-CG 3.31Å; R20-E24 PolarHBondContact O-N 3.44Å; L21-E24 PolarHBondContact O-N 3.34Å; E24-N27 PolarHBondContact O-N 2.89Å; E24-L28 WeakPolarHBondContact O-CG 3.45Å; E24-L28 PolarHBondContact O-N 2.99Å; E24-L28 VanDerWaalsContact O-N 3.1Å; E24-L44 HydrophobicContact CB-CD1 3.98Å; E24-L44 HydrophobicContact CB-CD2 4.29Å; E24-L44 WeakPolarHBondContact OE2-CD2 3.28Å
25	L	56.2	Low	52.1	Low	2 Å²	2	75.1 Å²	75.1	1%	0.01	38%	0.38	C	S	.	.	H	α-helix	trans	-66	-43.8	175.3	-75	151.4	0	0	0	112.1	L21 V22 K23 N27 L28 T29 T41 L44 L48 M59 F61	L21-L25 WeakPolarHBondContact O-CB 3.37Å; L21-L25 VanDerWaalsContact O-CD1 3.27Å; L21-L25 WeakPolarHBondContact O-CD1 3.42Å; L21-L25 WeakPolarHBondContact O-CG 3.34Å; L21-L25 PolarHBondContact O-N 3.27Å; V22-L25 PolarHBondContact O-N 3.4Å; K23-L25 VanDerWaalsContact C-N 3.33Å; L25-N27 VanDerWaalsContact C-N 3.27Å; L25-N27 PolarHBondContact O-N 3.33Å; L25-L28 WeakPolarHBondContact O-CB 3.44Å; L25-L28 PolarHBondContact O-N 3.39Å; L25-L28 VanDerWaalsContact O-N 3.08Å; L25-T29 WeakPolarHBondContact O-CG2 3.36Å; L25-T29 PolarHBondContact O-N 3.27Å; L25-T29 VanDerWaalsContact O-N 3.07Å; L25-T41 HydrophobicContact CD2-CG2 3.99Å; L25-L44 HydrophobicContact CD1-CB 4.01Å; L25-L44 HydrophobicContact CD2-CB 3.55Å; L25-L44 HydrophobicContact CD2-CD1 3.99Å; L25-L44 HydrophobicContact CD2-CG 4.45Å; L25-L44 HydrophobicContact CG-CB 3.75Å; L25-L44 HydrophobicContact CG-CD1 3.99Å; L25-L44 HydrophobicContact CG-CG 4.49Å; L25-L48 HydrophobicContact CD1-CD2 4.06Å; L25-M59 HydrophobicContact CB-CE 4.15Å; L25-M59 HydrophobicContact CB-SD 4.21Å; L25-M59 HydrophobicContact CD1-CE 3.15Å; L25-M59 HydrophobicContact CD1-SD 3.53Å; L25-M59 VanDerWaalsContact CD1-SD 3.53Å; L25-M59 HydrophobicContact CD2-CE 3.73Å; L25-M59 HydrophobicContact CG-CE 3.8Å; L25-M59 HydrophobicContact CG-SD 4.32Å; L25-F61 HydrophobicContact CB-CZ 3.97Å
26	L	50.2	Low	52.5	Low	79 Å²	79	78.3 Å²	78.3	41%	0.414	40%	0.396	S	S	.	.	H	α-helix	trans	-59.2	-35.7	171.9	-77.5	166.2	0	0	0	113	V22 K23 L28 T29 F61	V22-L26 HydrophobicContact CG1-CD1 4.02Å; V22-L26 HydrophobicContact CG1-CG 4.48Å; V22-L26 WeakPolarHBondContact O-CB 3.44Å; V22-L26 VanDerWaalsContact O-CG 3.3Å; V22-L26 WeakPolarHBondContact O-CG 3.47Å; V22-L26 PolarHBondContact O-N 2.82Å; K23-L26 PolarHBondContact O-N 3.3Å; L26-L28 VanDerWaalsContact C-N 3.32Å; L26-T29 PolarHBondContact O-OG1 2.78Å; L26-F61 HydrophobicContact CD2-CD1 3.46Å; L26-F61 VanDerWaalsContact CD2-CD1 3.46Å; L26-F61 HydrophobicContact CD2-CE1 3.26Å; L26-F61 HydrophobicContact CD2-CZ 4.4Å; L26-F61 HydrophobicContact CG-CD1 4.29Å; L26-F61 HydrophobicContact CG-CE1 3.58Å; L26-F61 HydrophobicContact CG-CZ 4.43Å
27	N	56.7	Low	52.4	Low	104 Å²	104	74.4 Å²	74.4	56%	0.556	38%	0.379	S	S	*	.	H	α-helix	trans	-72.4	-28.4	176.8	-75.6	-20.8	0	0	0	111.8	K23 E24 L25 S30	K23-N27 WeakPolarHBondContact O-CB 3.37Å; K23-N27 VanDerWaalsContact O-CG 3.27Å; K23-N27 PolarHBondContact O-N 3.49Å; K23-N27 PolarHBondContact O-ND2 2.97Å; E24-N27 PolarHBondContact O-N 2.89Å; L25-N27 VanDerWaalsContact C-N 3.27Å; L25-N27 PolarHBondContact O-N 3.33Å; N27-S30 PolarHBondContact O-OG 2.97Å
28	L	54.2	Low	51.8	Low	6 Å²	6	72.6 Å²	72.6	3%	0.031	37%	0.371	C	S	.	.	H	α-helix	trans	-74.4	-36.6	174.5	-67.1	175.5	0	0	0	112	E24 L25 L26 S30 Q31 L37 R40 L44	E24-L28 WeakPolarHBondContact O-CG 3.45Å; E24-L28 PolarHBondContact O-N 2.99Å; E24-L28 VanDerWaalsContact O-N 3.1Å; L25-L28 WeakPolarHBondContact O-CB 3.44Å; L25-L28 PolarHBondContact O-N 3.39Å; L25-L28 VanDerWaalsContact O-N 3.08Å; L26-L28 VanDerWaalsContact C-N 3.32Å; L28-S30 PolarHBondContact O-N 2.81Å; L28-Q31 PolarHBondContact O-N 3.26Å; L28-Q31 VanDerWaalsContact O-N 3.07Å; L28-L37 HydrophobicContact CB-CD2 4.47Å; L28-L37 HydrophobicContact CD2-CD1 4.33Å; L28-L37 HydrophobicContact CD2-CG 4.36Å; L28-L37 WeakPolarHBondContact O-CD2 3.2Å; L28-R40 HydrophobicContact CD1-CB 4.29Å; L28-R40 HydrophobicContact CD1-CG 3.95Å; L28-R40 HydrophobicContact CD2-CG 4.31Å; L28-L44 HydrophobicContact CD1-CD1 3.35Å; L28-L44 HydrophobicContact CG-CD1 4.41Å
29	T	44.4	Very low	52.1	Low	25 Å²	25	76.6 Å²	76.6	15%	0.153	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.6	177.3	61.4	0	0	0	0	114	L25 L26 F61 K68 L70	L25-T29 WeakPolarHBondContact O-CG2 3.36Å; L25-T29 PolarHBondContact O-N 3.27Å; L25-T29 VanDerWaalsContact O-N 3.07Å; L26-T29 PolarHBondContact O-OG1 2.78Å; T29-F61 HydrophobicContact CG2-CD2 4.11Å; T29-F61 HydrophobicContact CG2-CE2 4.03Å; T29-F61 HydrophobicContact CG2-CZ 4.41Å; T29-K68 PolarHBondContact O-NZ 3Å; T29-L70 HydrophobicContact CG2-CD1 3.8Å
30	S	39.7	Very low	52.7	Low	89 Å²	89	78.9 Å²	78.9	62%	0.622	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-5.2	174.1	75.6	0	0	0	0	114.3	N27 L28	N27-S30 PolarHBondContact O-OG 2.97Å; L28-S30 PolarHBondContact O-N 2.81Å
31	Q	49	Very low	52	Low	97 Å²	97	74.2 Å²	74.2	45%	0.453	38%	0.381	S	S	.	.	S	Bend	trans	-108.1	155	-174.9	-62.8	-179.4	16.2	0	0	111.9	L28 W33 L37	L28-Q31 PolarHBondContact O-N 3.26Å; L28-Q31 VanDerWaalsContact O-N 3.07Å; Q31-W33 PolarHBondContact O-N 2.84Å; Q31-L37 HydrophobicContact CB-CD1 3.51Å; Q31-L37 HydrophobicContact CG-CD1 4.29Å
32	N	42.2	Very low	51.8	Low	154 Å²	154	75.6 Å²	75.6	82%	0.824	39%	0.389	S	S	*	.			trans	-60.4	131.1	172	-74.7	-5.4	0	0	0	110.3	S34	N32-S34 PolarHBondContact O-N 3.37Å
33	W	44	Very low	52.4	Low	130 Å²	130	79.4 Å²	79.4	49%	0.492	40%	0.402	S	S	.	.			trans	-64.4	118.1	-179.4	-70.5	96	0	0	0	111.1	Q31 L37 V38 L70	Q31-W33 PolarHBondContact O-N 2.84Å; W33-L37 HydrophobicContact CD2-CD2 4.2Å; W33-L37 HydrophobicContact CE3-CD2 3.86Å; W33-L37 HydrophobicContact CZ3-CD2 4.17Å; W33-V38 HydrophobicContact CE3-CG2 3.78Å; W33-V38 HydrophobicContact CZ3-CG2 4.13Å; W33-L70 HydrophobicContact CH2-CD2 3.82Å; W33-L70 HydrophobicContact CZ2-CD1 4.43Å; W33-L70 HydrophobicContact CZ2-CD2 3.67Å; W33-L70 HydrophobicContact CZ2-CG 4.47Å
34	S	45.5	Very low	52.6	Low	54 Å²	54	73.1 Å²	73.1	38%	0.378	38%	0.375	S	S	.	.			trans	-122.8	164.5	169.9	70.3	0	0	0	0	109.7	N32 D36 L37 V38	N32-S34 PolarHBondContact O-N 3.37Å; S34-D36 PolarHBondContact O-N 3.5Å; S34-L37 WeakPolarHBondContact O-CB 3.49Å; S34-L37 PolarHBondContact O-N 3.33Å; S34-L37 PolarHBondContact OG-N 2.78Å; S34-V38 WeakPolarHBondContact O-CG2 3.37Å; S34-V38 PolarHBondContact O-N 3.39Å; S34-V38 VanDerWaalsContact O-N 3.07Å
35	S	44.8	Very low	52.2	Low	87 Å²	87	70.1 Å²	70.1	61%	0.608	36%	0.361	S	S	*	.	H	α-helix	trans	-51.1	-42.8	173.6	51.3	0	0	0	0	111.8	L37 V38 E39	S35-L37 VanDerWaalsContact C-N 3.3Å; S35-L37 PolarHBondContact O-N 3.04Å; S35-V38 PolarHBondContact O-N 2.7Å; S35-E39 PolarHBondContact O-N 3.21Å
36	D	54.5	Low	52.4	Low	113 Å²	113	74.4 Å²	74.4	60%	0.604	38%	0.38	S	S	*	.	H	α-helix	trans	-66.9	-34.6	-178.5	-57.7	-5.4	0	0	0	111.4	S34 R40	S34-D36 PolarHBondContact O-N 3.5Å; D36-R40 VanDerWaalsContact O-CB 3.3Å; D36-R40 WeakPolarHBondContact O-CB 3.34Å; D36-R40 PolarHBondContact O-N 3.21Å
37	L	53.5	Low	53.1	Low	10 Å²	10	73.8 Å²	73.8	5%	0.052	37%	0.374	C	S	.	.	H	α-helix	trans	-70.8	-37.3	178.1	-150.5	112.3	0	0	0	111.8	L28 Q31 W33 S34 S35 R40 T41	L28-L37 HydrophobicContact CB-CD2 4.47Å; L28-L37 HydrophobicContact CD2-CD1 4.33Å; L28-L37 HydrophobicContact CD2-CG 4.36Å; L28-L37 WeakPolarHBondContact O-CD2 3.2Å; Q31-L37 HydrophobicContact CB-CD1 3.51Å; Q31-L37 HydrophobicContact CG-CD1 4.29Å; W33-L37 HydrophobicContact CD2-CD2 4.2Å; W33-L37 HydrophobicContact CE3-CD2 3.86Å; W33-L37 HydrophobicContact CZ3-CD2 4.17Å; S34-L37 WeakPolarHBondContact O-CB 3.49Å; S34-L37 PolarHBondContact O-N 3.33Å; S34-L37 PolarHBondContact OG-N 2.78Å; S35-L37 VanDerWaalsContact C-N 3.3Å; S35-L37 PolarHBondContact O-N 3.04Å; L37-R40 PolarHBondContact O-N 3.39Å; L37-T41 WeakPolarHBondContact O-CB 3.35Å; L37-T41 PolarHBondContact O-N 3.39Å; L37-T41 PolarHBondContact O-OG1 3.43Å
38	V	48.9	Very low	53.2	Low	37 Å²	37	69 Å²	69	22%	0.224	35%	0.349	C	S	.	.	H	α-helix	trans	-65.8	-48.6	174.7	175.6	0	0	0	0	110.3	W33 S34 S35 R40 T41 V42 A85	W33-V38 HydrophobicContact CE3-CG2 3.78Å; W33-V38 HydrophobicContact CZ3-CG2 4.13Å; S34-V38 WeakPolarHBondContact O-CG2 3.37Å; S34-V38 PolarHBondContact O-N 3.39Å; S34-V38 VanDerWaalsContact O-N 3.07Å; S35-V38 PolarHBondContact O-N 2.7Å; V38-R40 VanDerWaalsContact C-N 3.28Å; V38-R40 PolarHBondContact O-N 2.88Å; V38-T41 PolarHBondContact O-N 2.86Å; V38-T41 VanDerWaalsContact O-N 3.16Å; V38-V42 HydrophobicContact CG1-CG2 4.42Å; V38-V42 WeakPolarHBondContact O-CG2 3.36Å; V38-V42 PolarHBondContact O-N 2.97Å; V38-A85 HydrophobicContact CG2-CB 4.32Å
39	E	55.9	Low	53.2	Low	143 Å²	143	69.2 Å²	69.2	67%	0.668	35%	0.35	S	S	*	.	H	α-helix	trans	-58.4	-41.4	176.6	-75.8	-171.8	176.3	0	0	112.1	S35 V42 K43	S35-E39 PolarHBondContact O-N 3.21Å; E39-V42 PolarHBondContact O-N 2.95Å; E39-K43 WeakPolarHBondContact O-CB 3.28Å; E39-K43 PolarHBondContact O-N 3.07Å
40	R	62.5	Low	54.1	Low	154 Å²	154	73.2 Å²	73.2	58%	0.581	38%	0.375	S	S	*	.	H	α-helix	trans	-66.9	-38.7	177.5	-164.9	171	177.8	173.3	1.1	112.4	L28 D36 L37 V38 K43 L44	L28-R40 HydrophobicContact CD1-CB 4.29Å; L28-R40 HydrophobicContact CD1-CG 3.95Å; L28-R40 HydrophobicContact CD2-CG 4.31Å; D36-R40 VanDerWaalsContact O-CB 3.3Å; D36-R40 WeakPolarHBondContact O-CB 3.34Å; D36-R40 PolarHBondContact O-N 3.21Å; L37-R40 PolarHBondContact O-N 3.39Å; V38-R40 VanDerWaalsContact C-N 3.28Å; V38-R40 PolarHBondContact O-N 2.88Å; R40-K43 PolarHBondContact O-N 3.31Å; R40-L44 WeakPolarHBondContact O-CG 3.49Å; R40-L44 PolarHBondContact O-N 2.9Å; R40-L44 VanDerWaalsContact O-N 3.08Å
41	T	56.1	Low	55.1	Low	12 Å²	12	71.5 Å²	71.5	7%	0.074	36%	0.36	C	S	.	.	H	α-helix	trans	-65.9	-43.9	175.6	-57.7	0	0	0	0	111	L25 L37 V38 K43 L44 L45	L25-T41 HydrophobicContact CD2-CG2 3.99Å; L37-T41 WeakPolarHBondContact O-CB 3.35Å; L37-T41 PolarHBondContact O-N 3.39Å; L37-T41 PolarHBondContact O-OG1 3.43Å; V38-T41 PolarHBondContact O-N 2.86Å; V38-T41 VanDerWaalsContact O-N 3.16Å; T41-K43 VanDerWaalsContact C-N 3.34Å; T41-K43 PolarHBondContact O-N 3.28Å; T41-L44 PolarHBondContact O-N 2.92Å; T41-L45 HydrophobicContact CG2-CD1 4.08Å; T41-L45 WeakPolarHBondContact O-CB 3.07Å; T41-L45 WeakPolarHBondContact O-CG 3.28Å; T41-L45 PolarHBondContact O-N 3.43Å
42	V	54.9	Low	55.3	Low	31 Å²	31	69.1 Å²	69.1	19%	0.188	35%	0.354	C	S	.	.	H	α-helix	trans	-61.9	-40.8	175.3	171.3	0	0	0	0	111.3	V38 E39 L45 K46 V81	V38-V42 HydrophobicContact CG1-CG2 4.42Å; V38-V42 WeakPolarHBondContact O-CG2 3.36Å; V38-V42 PolarHBondContact O-N 2.97Å; E39-V42 PolarHBondContact O-N 2.95Å; V42-L45 PolarHBondContact O-N 3.42Å; V42-K46 HydrophobicContact CG1-CD 4.47Å; V42-K46 WeakPolarHBondContact O-CG 3.37Å; V42-K46 PolarHBondContact O-N 3.07Å; V42-V81 HydrophobicContact CG1-CG2 4.27Å; V42-V81 HydrophobicContact CG2-CG1 4.42Å
43	K	65.4	Low	55.7	Low	132 Å²	132	69.6 Å²	69.6	57%	0.574	36%	0.357	S	S	*	.	H	α-helix	trans	-62.2	-44.8	176.2	-173.8	-179.8	176.3	-176.8	0	112	E39 R40 T41 K46 E47	E39-K43 WeakPolarHBondContact O-CB 3.28Å; E39-K43 PolarHBondContact O-N 3.07Å; R40-K43 PolarHBondContact O-N 3.31Å; T41-K43 VanDerWaalsContact C-N 3.34Å; T41-K43 PolarHBondContact O-N 3.28Å; K43-K46 WeakPolarHBondContact O-CB 3.46Å; K43-K46 PolarHBondContact O-N 3.1Å; K43-E47 PolarHBondContact O-N 3.04Å
44	L	62.9	Low	55.4	Low	10 Å²	10	65.8 Å²	65.8	5%	0.052	35%	0.35	C	S	.	.	H	α-helix	trans	-69.1	-36.5	178.4	-72.8	171.1	0	0	0	112.7	L21 E24 L25 L28 R40 T41 K46 E47 L48	L21-L44 HydrophobicContact CD2-CD2 3.78Å; E24-L44 HydrophobicContact CB-CD1 3.98Å; E24-L44 HydrophobicContact CB-CD2 4.29Å; E24-L44 WeakPolarHBondContact OE2-CD2 3.28Å; L25-L44 HydrophobicContact CD1-CB 4.01Å; L25-L44 HydrophobicContact CD2-CB 3.55Å; L25-L44 HydrophobicContact CD2-CD1 3.99Å; L25-L44 HydrophobicContact CD2-CG 4.45Å; L25-L44 HydrophobicContact CG-CB 3.75Å; L25-L44 HydrophobicContact CG-CD1 3.99Å; L25-L44 HydrophobicContact CG-CG 4.49Å; L28-L44 HydrophobicContact CD1-CD1 3.35Å; L28-L44 HydrophobicContact CG-CD1 4.41Å; R40-L44 WeakPolarHBondContact O-CG 3.49Å; R40-L44 PolarHBondContact O-N 2.9Å; R40-L44 VanDerWaalsContact O-N 3.08Å; T41-L44 PolarHBondContact O-N 2.92Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-E47 PolarHBondContact O-N 2.95Å; L44-L48 WeakPolarHBondContact O-CB 3.32Å; L44-L48 PolarHBondContact O-N 3.46Å
45	L	55.5	Low	54.8	Low	4 Å²	4	68.9 Å²	68.9	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-60	-42.2	171.2	-83.6	163.8	0	0	0	111.4	T41 V42 L48 T49 M59 F73	T41-L45 HydrophobicContact CG2-CD1 4.08Å; T41-L45 WeakPolarHBondContact O-CB 3.07Å; T41-L45 WeakPolarHBondContact O-CG 3.28Å; T41-L45 PolarHBondContact O-N 3.43Å; V42-L45 PolarHBondContact O-N 3.42Å; L45-L48 WeakPolarHBondContact O-CB 3.35Å; L45-L48 PolarHBondContact O-N 3.27Å; L45-T49 WeakPolarHBondContact O-CG2 3.31Å; L45-T49 PolarHBondContact O-N 2.82Å; L45-T49 PolarHBondContact O-OG1 3.38Å; L45-M59 HydrophobicContact CD2-CE 3.27Å; L45-M59 HydrophobicContact CG-CE 3.89Å; L45-F73 HydrophobicContact CD1-CB 4.18Å; L45-F73 HydrophobicContact CD1-CD1 4.13Å; L45-F73 HydrophobicContact CD1-CD2 4.24Å; L45-F73 HydrophobicContact CD1-CG 3.93Å; L45-F73 HydrophobicContact CD2-CB 4.43Å
46	K	59.4	Low	54.3	Low	92 Å²	92	67 Å²	67	40%	0.4	35%	0.347	S	S	.	.	H	α-helix	trans	-63	-45.2	174.5	-73.9	179	178.5	-172.9	0	112	V42 K43 L44 L48 T49 T50	V42-K46 HydrophobicContact CG1-CD 4.47Å; V42-K46 WeakPolarHBondContact O-CG 3.37Å; V42-K46 PolarHBondContact O-N 3.07Å; K43-K46 WeakPolarHBondContact O-CB 3.46Å; K43-K46 PolarHBondContact O-N 3.1Å; L44-K46 VanDerWaalsContact C-N 3.32Å; K46-L48 VanDerWaalsContact C-N 3.26Å; K46-L48 PolarHBondContact O-N 3.3Å; K46-T49 WeakPolarHBondContact CA-OG1 3.43Å; K46-T49 PolarHBondContact O-N 3.4Å; K46-T49 PolarHBondContact O-OG1 3.17Å; K46-T50 WeakPolarHBondContact O-CG2 3.44Å; K46-T50 PolarHBondContact O-N 3.13Å; K46-T50 VanDerWaalsContact O-N 3.07Å; K46-T50 PolarHBondContact O-OG1 3.15Å
47	E	66.1	Low	53.4	Low	65 Å²	65	62.2 Å²	62.2	30%	0.304	32%	0.322	S	S	.	.	H	α-helix	trans	-60.1	-38.5	174.2	-71.8	178.4	-158.6	0	0	111.4	L21 K43 L44 T50 V51	L21-E47 HydrophobicContact CD1-CB 4.21Å; L21-E47 HydrophobicContact CD2-CB 3.91Å; L21-E47 WeakPolarHBondContact CD2-OE2 3.48Å; K43-E47 PolarHBondContact O-N 3.04Å; L44-E47 PolarHBondContact O-N 2.95Å; E47-T50 WeakPolarHBondContact CA-OG1 3.33Å; E47-T50 PolarHBondContact O-N 3.33Å; E47-T50 PolarHBondContact O-OG1 2.91Å; E47-V51 WeakPolarHBondContact O-CG2 3.4Å; E47-V51 PolarHBondContact O-N 3.44Å; E47-V51 VanDerWaalsContact O-N 3.12Å
48	L	57.9	Low	52.6	Low	4 Å²	4	64.9 Å²	64.9	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-41.6	176.7	-161.8	68.4	0	0	0	112	M18 L21 V22 L25 L44 L45 K46 T50 V51 C52 V57 M59	M18-L48 HydrophobicContact CG-CD1 4.21Å; L21-L48 HydrophobicContact CB-CD1 3.82Å; L21-L48 HydrophobicContact CD1-CB 4.39Å; L21-L48 HydrophobicContact CD1-CD1 3.94Å; V22-L48 HydrophobicContact CG2-CD1 4.46Å; L25-L48 HydrophobicContact CD1-CD2 4.06Å; L44-L48 WeakPolarHBondContact O-CB 3.32Å; L44-L48 PolarHBondContact O-N 3.46Å; L45-L48 WeakPolarHBondContact O-CB 3.35Å; L45-L48 PolarHBondContact O-N 3.27Å; K46-L48 VanDerWaalsContact C-N 3.26Å; K46-L48 PolarHBondContact O-N 3.3Å; L48-T50 VanDerWaalsContact C-N 3.28Å; L48-T50 PolarHBondContact O-N 3.47Å; L48-V51 PolarHBondContact O-N 2.92Å; L48-C52 WeakPolarHBondContact O-CB 2.9Å; L48-C52 PolarHBondContact O-N 2.88Å; L48-C52 PolarHBondContact O-SG 2.74Å; L48-V57 HydrophobicContact CB-CG1 4.4Å; L48-V57 HydrophobicContact CD2-CG1 3.36Å; L48-V57 HydrophobicContact CG-CG1 3.83Å; L48-M59 HydrophobicContact CD2-CE 3.76Å; L48-M59 HydrophobicContact CD2-CG 3.78Å; L48-M59 HydrophobicContact CD2-SD 3.5Å; L48-M59 VanDerWaalsContact CD2-SD 3.5Å
49	T	53.7	Low	52.1	Low	10 Å²	10	64 Å²	64	6%	0.061	33%	0.329	C	S	.	.	H	α-helix	trans	-60.7	-36.7	174.3	54.7	0	0	0	0	112.3	L45 K46 D53 V57 C75	L45-T49 WeakPolarHBondContact O-CG2 3.31Å; L45-T49 PolarHBondContact O-N 2.82Å; L45-T49 PolarHBondContact O-OG1 3.38Å; K46-T49 WeakPolarHBondContact CA-OG1 3.43Å; K46-T49 PolarHBondContact O-N 3.4Å; K46-T49 PolarHBondContact O-OG1 3.17Å; T49-D53 PolarHBondContact O-N 3.46Å; T49-V57 HydrophobicContact CG2-CB 3.82Å; T49-V57 HydrophobicContact CG2-CG2 3.48Å; T49-V57 VanDerWaalsContact CG2-CG2 3.48Å; T49-C75 HydrophobicContact CG2-CB 4.44Å
50	T	63.2	Low	51	Low	110 Å²	110	63.6 Å²	63.6	68%	0.675	33%	0.327	S	S	*	.	H	α-helix	trans	-72.4	-30.4	177.4	55.7	0	0	0	0	113.7	K46 E47 L48	K46-T50 WeakPolarHBondContact O-CG2 3.44Å; K46-T50 PolarHBondContact O-N 3.13Å; K46-T50 VanDerWaalsContact O-N 3.07Å; K46-T50 PolarHBondContact O-OG1 3.15Å; E47-T50 WeakPolarHBondContact CA-OG1 3.33Å; E47-T50 PolarHBondContact O-N 3.33Å; E47-T50 PolarHBondContact O-OG1 2.91Å; L48-T50 VanDerWaalsContact C-N 3.28Å; L48-T50 PolarHBondContact O-N 3.47Å
51	V	61.6	Low	49.7	Very low	52 Å²	52	58.8 Å²	58.8	32%	0.315	31%	0.311	S	S	.	.	H	α-helix	trans	-79	-31.8	178.1	171.8	0	0	0	0	111.4	L21 E47 L48	L21-V51 HydrophobicContact CD1-CG2 4Å; E47-V51 WeakPolarHBondContact O-CG2 3.4Å; E47-V51 PolarHBondContact O-N 3.44Å; E47-V51 VanDerWaalsContact O-N 3.12Å; L48-V51 PolarHBondContact O-N 2.92Å
52	C	52.3	Low	48.5	Very low	47 Å²	47	63 Å²	63	32%	0.318	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.4	-178.3	-65.7	0	0	0	0	114.4	L48 S54 V57	L48-C52 WeakPolarHBondContact O-CB 2.9Å; L48-C52 PolarHBondContact O-N 2.88Å; L48-C52 PolarHBondContact O-SG 2.74Å; C52-S54 PolarHBondContact O-N 3.02Å; C52-S54 VanDerWaalsContact O-N 3.1Å; C52-V57 HydrophobicContact CB-CG2 4.23Å
53	D	51.4	Low	47.2	Very low	164 Å²	164	68.5 Å²	68.5	88%	0.877	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.1	42.6	-170.8	-158	23.5	0	0	0	111.9	T49	T49-D53 PolarHBondContact O-N 3.46Å
54	S	37.7	Very low	45.4	Very low	51 Å²	51	66.7 Å²	66.7	36%	0.357	36%	0.356	S	S	.	.			trans	-132.8	129.2	-171.6	-163.9	0	0	0	0	110.1	C52 V56	C52-S54 PolarHBondContact O-N 3.02Å; C52-S54 VanDerWaalsContact O-N 3.1Å; S54-V56 PolarHBondContact O-N 3.3Å; S54-V56 VanDerWaalsContact O-N 3.1Å; S54-V56 PolarHBondContact OG-O 2.76Å
55	D	33.1	Very low	43.6	Very low	118 Å²	118	67.8 Å²	67.8	63%	0.631	37%	0.369	S	S	*	.	S	Bend	trans	-65.1	-10.6	179.8	-69	-38.1	0	0	0	113.3
56	V	34.5	Very low	42.2	Very low	47 Å²	47	69.6 Å²	69.6	29%	0.285	39%	0.389	S	S	.	.			trans	-142.6	114.6	-175.6	179.7	0	0	0	0	108.8	S54 I58	S54-V56 PolarHBondContact O-N 3.3Å; S54-V56 VanDerWaalsContact O-N 3.1Å; S54-V56 PolarHBondContact OG-O 2.76Å; V56-I58 HydrophobicContact CG1-CD1 4Å; V56-I58 HydrophobicContact CG1-CG1 3.77Å
57	V	35.8	Very low	40.7	Very low	13 Å²	13	68.9 Å²	68.9	8%	0.079	40%	0.4	C	S	.	.			trans	-108.5	99.2	166.4	177.5	0	0	0	0	109.3	L48 T49 C52 M59	L48-V57 HydrophobicContact CB-CG1 4.4Å; L48-V57 HydrophobicContact CD2-CG1 3.36Å; L48-V57 HydrophobicContact CG-CG1 3.83Å; T49-V57 HydrophobicContact CG2-CB 3.82Å; T49-V57 HydrophobicContact CG2-CG2 3.48Å; T49-V57 VanDerWaalsContact CG2-CG2 3.48Å; C52-V57 HydrophobicContact CB-CG2 4.23Å; V57-M59 HydrophobicContact CG1-CG 4.17Å; V57-M59 PolarHBondContact O-N 2.86Å
58	I	36.5	Very low	39	Very low	66 Å²	66	72.8 Å²	72.8	34%	0.338	42%	0.416	S	S	.	.			trans	-84	108.8	167.7	-63.6	160.7	0	0	0	106.5	V56 P72 F272	V56-I58 HydrophobicContact CG1-CD1 4Å; V56-I58 HydrophobicContact CG1-CG1 3.77Å; I58-P72 HydrophobicContact CG2-CB 4.2Å; I58-F272 HydrophobicContact CD1-CE1 4.13Å; I58-F272 HydrophobicContact CD1-CE2 3.99Å; I58-F272 HydrophobicContact CD1-CZ 3.75Å
59	M	36.9	Very low	37.5	Very low	19 Å²	19	77.5 Å²	77.5	9%	0.094	44%	0.441	C	S	.	.			trans	-93.5	106.8	162.3	-79.7	-166.8	-73.7	0	0	108.5	L25 L45 L48 V57 F61	L25-M59 HydrophobicContact CB-CE 4.15Å; L25-M59 HydrophobicContact CB-SD 4.21Å; L25-M59 HydrophobicContact CD1-CE 3.15Å; L25-M59 HydrophobicContact CD1-SD 3.53Å; L25-M59 VanDerWaalsContact CD1-SD 3.53Å; L25-M59 HydrophobicContact CD2-CE 3.73Å; L25-M59 HydrophobicContact CG-CE 3.8Å; L25-M59 HydrophobicContact CG-SD 4.32Å; L45-M59 HydrophobicContact CD2-CE 3.27Å; L45-M59 HydrophobicContact CG-CE 3.89Å; L48-M59 HydrophobicContact CD2-CE 3.76Å; L48-M59 HydrophobicContact CD2-CG 3.78Å; L48-M59 HydrophobicContact CD2-SD 3.5Å; L48-M59 VanDerWaalsContact CD2-SD 3.5Å; V57-M59 HydrophobicContact CG1-CG 4.17Å; V57-M59 PolarHBondContact O-N 2.86Å; M59-F61 HydrophobicContact CB-CD2 4.39Å; M59-F61 HydrophobicContact CB-CE2 3.97Å; M59-F61 HydrophobicContact CB-CZ 4.42Å; M59-F61 HydrophobicContact CE-CE2 4.31Å; M59-F61 HydrophobicContact CE-CZ 4.49Å; M59-F61 PolarHBondContact O-N 3.26Å; M59-F61 HydrophobicContact SD-CE2 4.03Å; M59-F61 HydrophobicContact SD-CZ 3.78Å
60	E	34	Very low	36.4	Very low	134 Å²	134	79.2 Å²	79.2	63%	0.626	45%	0.449	S	S	*	.			trans	-84.5	105	167.7	-151.8	168.2	-147.7	0	0	107.1	I62	E60-I62 HydrophobicContact CG-CG1 4.31Å; E60-I62 PolarHBondContact O-N 2.91Å
61	F	35	Very low	35	Very low	53 Å²	53	75.4 Å²	75.4	23%	0.232	43%	0.429	C	S	.	.			trans	-83.6	91.1	167.7	-75.2	-67.9	0	0	0	108	L25 L26 T29 M59 N63 L70	L25-F61 HydrophobicContact CB-CZ 3.97Å; L26-F61 HydrophobicContact CD2-CD1 3.46Å; L26-F61 VanDerWaalsContact CD2-CD1 3.46Å; L26-F61 HydrophobicContact CD2-CE1 3.26Å; L26-F61 HydrophobicContact CD2-CZ 4.4Å; L26-F61 HydrophobicContact CG-CD1 4.29Å; L26-F61 HydrophobicContact CG-CE1 3.58Å; L26-F61 HydrophobicContact CG-CZ 4.43Å; T29-F61 HydrophobicContact CG2-CD2 4.11Å; T29-F61 HydrophobicContact CG2-CE2 4.03Å; T29-F61 HydrophobicContact CG2-CZ 4.41Å; M59-F61 HydrophobicContact CB-CD2 4.39Å; M59-F61 HydrophobicContact CB-CE2 3.97Å; M59-F61 HydrophobicContact CB-CZ 4.42Å; M59-F61 HydrophobicContact CE-CE2 4.31Å; M59-F61 HydrophobicContact CE-CZ 4.49Å; M59-F61 PolarHBondContact O-N 3.26Å; M59-F61 HydrophobicContact SD-CE2 4.03Å; M59-F61 HydrophobicContact SD-CZ 3.78Å; F61-N63 PolarHBondContact O-N 2.85Å; F61-N63 VanDerWaalsContact O-N 3.14Å; F61-L70 HydrophobicContact CB-CD1 4.4Å; F61-L70 HydrophobicContact CD2-CD1 3.79Å; F61-L70 HydrophobicContact CG-CD1 4.43Å
62	I	31.3	Very low	33.6	Very low	100 Å²	100	77.3 Å²	77.3	51%	0.513	44%	0.443	S	S	.	.			trans	-68.1	109.5	171.8	-55.9	171.2	0	0	0	107.3	E60 I64	E60-I62 HydrophobicContact CG-CG1 4.31Å; E60-I62 PolarHBondContact O-N 2.91Å; I62-I64 HydrophobicContact CG2-CG1 4.43Å
63	N	27.8	Very low	32.8	Very low	147 Å²	147	77.1 Å²	77.1	79%	0.786	44%	0.436	S	S	*	.			trans	-148.2	101.3	149.8	-139.2	2.1	0	0	0	109.9	F61 G65	F61-N63 PolarHBondContact O-N 2.85Å; F61-N63 VanDerWaalsContact O-N 3.14Å; N63-G65 PolarHBondContact O-N 3.28Å
64	I	26.9	Very low	32	Very low	95 Å²	95	74 Å²	74	49%	0.487	42%	0.423	S	S	.	.			trans	-75.9	106.3	-177.5	-61.2	169.4	0	0	0	108.1	I62 P177 E179	I62-I64 HydrophobicContact CG2-CG1 4.43Å; I64-P177 HydrophobicContact CG2-CB 3.83Å; I64-E179 HydrophobicContact CD1-CG 4.44Å
65	G	25.2	Very low	32	Very low	32 Å²	32	72.2 Å²	72.2	33%	0.33	41%	0.41	S	S	.	.	S	Bend	trans	138.9	65.2	150.3	0	0	0	0	0	120	N63 H175 G176	N63-G65 PolarHBondContact O-N 3.28Å; G65-H175 CarbonylContact O-C 3.33Å; G65-H175 WeakPolarHBondContact O-CA 3.43Å; G65-H175 PolarHBondContact O-N 3.21Å; G65-G176 VanDerWaalsContact C-N 3.25Å; G65-G176 PolarHBondContact O-N 3.13Å
66	G	26.5	Very low	32.2	Very low	42 Å²	42	72.2 Å²	72.2	43%	0.433	41%	0.407	S	S	.	.	S	Bend	trans	155.8	36	163.6	0	0	0	0	0	114.8
67	A	26.6	Very low	32.3	Very low	78 Å²	78	73.4 Å²	73.4	65%	0.645	42%	0.415	S	S	*	.			trans	64.1	86.6	-177.5	0	0	0	0	0	116
68	K	30.4	Very low	32.4	Very low	146 Å²	146	80.5 Å²	80.5	64%	0.635	45%	0.453	S	S	*	.			trans	-131.6	82.7	150.1	-80.8	-170.2	179	-176.3	0	108.7	T29 L70	T29-K68 PolarHBondContact O-NZ 3Å; K68-L70 PolarHBondContact O-N 2.89Å
69	L	27.9	Very low	32.5	Very low	104 Å²	104	79.1 Å²	79.1	55%	0.545	45%	0.452	S	S	.	.			trans	-74.3	100.3	166.8	-83.1	148.9	0	0	0	108.4	A92	L69-A92 HydrophobicContact CB-CB 3.6Å; L69-A92 HydrophobicContact CD1-CB 3.84Å; L69-A92 WeakPolarHBondContact CD1-O 3.29Å; L69-A92 HydrophobicContact CD2-CB 3.92Å; L69-A92 HydrophobicContact CG-CB 3.97Å
70	L	30.1	Very low	32.3	Very low	45 Å²	45	85.5 Å²	85.5	24%	0.236	48%	0.481	C	S	.	.			trans	-97.4	101.3	154.7	-81.3	161.3	0	0	0	106.3	T29 W33 F61 K68 F73	T29-L70 HydrophobicContact CG2-CD1 3.8Å; W33-L70 HydrophobicContact CH2-CD2 3.82Å; W33-L70 HydrophobicContact CZ2-CD1 4.43Å; W33-L70 HydrophobicContact CZ2-CD2 3.67Å; W33-L70 HydrophobicContact CZ2-CG 4.47Å; F61-L70 HydrophobicContact CB-CD1 4.4Å; F61-L70 HydrophobicContact CD2-CD1 3.79Å; F61-L70 HydrophobicContact CG-CD1 4.43Å; K68-L70 PolarHBondContact O-N 2.89Å; L70-F73 HydrophobicContact CB-CE2 4.26Å; L70-F73 HydrophobicContact CD2-CE2 3.54Å; L70-F73 HydrophobicContact CD2-CZ 3.49Å; L70-F73 VanDerWaalsContact CD2-CZ 3.49Å; L70-F73 HydrophobicContact CG-CE2 4.4Å
71	A	32.7	Very low	32.3	Very low	30 Å²	30	82.6 Å²	82.6	25%	0.248	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-49.2	144.7	169.4	0	0	0	0	0	109.5	F73	A71-F73 PolarHBondContact O-N 3.42Å
72	P	33.5	Very low	32	Very low	93 Å²	93	87.9 Å²	87.9	60%	0.604	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-55.3	116.7	176	21.7	-31.3	0	0	0	109.2	I58 V74	I58-P72 HydrophobicContact CG2-CB 4.2Å; P72-V74 PolarHBondContact O-N 3.37Å
73	F	35	Very low	32.1	Very low	42 Å²	42	88 Å²	88	18%	0.184	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-74.6	119.4	173.8	-65.7	-81.8	0	0	0	108.6	L45 L70 A71	L45-F73 HydrophobicContact CD1-CB 4.18Å; L45-F73 HydrophobicContact CD1-CD1 4.13Å; L45-F73 HydrophobicContact CD1-CD2 4.24Å; L45-F73 HydrophobicContact CD1-CG 3.93Å; L45-F73 HydrophobicContact CD2-CB 4.43Å; L70-F73 HydrophobicContact CB-CE2 4.26Å; L70-F73 HydrophobicContact CD2-CE2 3.54Å; L70-F73 HydrophobicContact CD2-CZ 3.49Å; L70-F73 VanDerWaalsContact CD2-CZ 3.49Å; L70-F73 HydrophobicContact CG-CE2 4.4Å; A71-F73 PolarHBondContact O-N 3.42Å
74	V	34.6	Very low	32.2	Very low	100 Å²	100	83.5 Å²	83.5	61%	0.606	48%	0.476	S	S	*	.			trans	-98.7	100.8	163.7	-178.2	0	0	0	0	106.8	P72	P72-V74 PolarHBondContact O-N 3.37Å
75	C	37.6	Very low	32.2	Very low	12 Å²	12	81.4 Å²	81.4	8%	0.081	47%	0.474	C	S	.	.			trans	-104.9	108.7	173.9	-172.4	0	0	0	0	109.2	T49	T49-C75 HydrophobicContact CG2-CB 4.44Å
76	Q	37.2	Very low	32.4	Very low	118 Å²	118	86.3 Å²	86.3	55%	0.551	49%	0.491	S	S	*	.			trans	-82.9	141.9	170.6	-67.6	180	-21.8	0	0	109.9	N78 A79	Q76-N78 PolarHBondContact O-N 2.75Å; Q76-A79 HydrophobicContact CB-CB 3.93Å; Q76-A79 PolarHBondContact O-N 2.72Å
77	P	36	Very low	32.7	Very low	72 Å²	72	89.4 Å²	89.4	47%	0.468	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.9	-179	-25.5	32.4	0	0	0	114.4
78	N	39	Very low	33	Very low	162 Å²	162	88.3 Å²	88.3	87%	0.866	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	8.7	-171.9	-66.5	-28.7	0	0	0	114.7	Q76	Q76-N78 PolarHBondContact O-N 2.75Å
79	A	39.3	Very low	33	Very low	38 Å²	38	85.2 Å²	85.2	31%	0.314	47%	0.471	S	S	.	.			trans	-86.1	132	179.1	0	0	0	0	0	112.1	Q76 V81	Q76-A79 HydrophobicContact CB-CB 3.93Å; Q76-A79 PolarHBondContact O-N 2.72Å; A79-V81 PolarHBondContact O-N 2.63Å; A79-V81 VanDerWaalsContact O-N 3.13Å
80	E	32.2	Very low	33.4	Very low	152 Å²	152	84.4 Å²	84.4	71%	0.71	46%	0.463	S	S	*	.			trans	-63.7	108.9	160.7	-89.1	-166.9	161.1	0	0	108.2	K82	E80-K82 PolarHBondContact O-N 3.08Å; E80-K82 IonicContact OE2-NZ 3.98Å; E80-K82 PolarHBondContact OE2-NZ 2.75Å
81	V	34.1	Very low	33.8	Very low	74 Å²	74	86.9 Å²	86.9	45%	0.448	47%	0.473	S	S	.	.			trans	-71.7	94.1	174	-178	0	0	0	0	108.3	V42 A79	V42-V81 HydrophobicContact CG1-CG2 4.27Å; V42-V81 HydrophobicContact CG2-CG1 4.42Å; A79-V81 PolarHBondContact O-N 2.63Å; A79-V81 VanDerWaalsContact O-N 3.13Å
82	K	28	Very low	34	Very low	163 Å²	163	85.9 Å²	85.9	71%	0.709	47%	0.465	S	S	*	.			trans	-110.7	62.1	168.4	-77.8	178.1	173.6	140.6	0	109.8	E80	E80-K82 PolarHBondContact O-N 3.08Å; E80-K82 IonicContact OE2-NZ 3.98Å; E80-K82 PolarHBondContact OE2-NZ 2.75Å
83	L	33.2	Very low	34.2	Very low	103 Å²	103	84 Å²	84	54%	0.539	45%	0.454	S	S	.	.			trans	-116.6	118.5	170.5	-79.6	160.9	0	0	0	107.7	L88	L83-L88 HydrophobicContact CB-CD1 4.01Å; L83-L88 HydrophobicContact CB-CG 4.35Å; L83-L88 HydrophobicContact CD1-CD2 4.49Å
84	S	29.3	Very low	34.5	Very low	52 Å²	52	83.8 Å²	83.8	36%	0.364	45%	0.453	S	S	.	.			trans	-73.1	145.7	171.8	68.5	0	0	0	0	109.7	L86 E87 L88	S84-L86 PolarHBondContact O-N 2.72Å; S84-E87 WeakPolarHBondContact CB-OE2 3.38Å; S84-E87 PolarHBondContact N-OE2 3.05Å; S84-E87 PolarHBondContact O-N 3.45Å; S84-E87 VanDerWaalsContact OG-CG 3.29Å; S84-E87 WeakPolarHBondContact OG-CG 3.41Å; S84-E87 PolarHBondContact OG-N 2.78Å; S84-E87 PolarHBondContact OG-OE2 3.28Å; S84-L88 PolarHBondContact O-N 3.21Å
85	A	28.1	Very low	35	Very low	52 Å²	52	82.9 Å²	82.9	43%	0.43	44%	0.442	S	S	.	.	H	α-helix	trans	-55.4	-23.8	175.7	0	0	0	0	0	113	V38 T89	V38-A85 HydrophobicContact CG2-CB 4.32Å; A85-T89 PolarHBondContact O-N 2.86Å; A85-T89 PolarHBondContact O-OG1 2.72Å
86	L	29.8	Very low	35.3	Very low	134 Å²	134	83.7 Å²	83.7	70%	0.702	45%	0.453	S	S	*	.	H	α-helix	trans	-72.4	-39.6	176.8	-169.3	72.2	0	0	0	112.8	S84 T89 K90	S84-L86 PolarHBondContact O-N 2.72Å; L86-T89 WeakPolarHBondContact CA-OG1 3.44Å; L86-T89 PolarHBondContact O-OG1 2.81Å; L86-T89 VanDerWaalsContact O-OG1 3.13Å; L86-K90 VanDerWaalsContact O-CB 3.25Å; L86-K90 WeakPolarHBondContact O-CB 3.3Å; L86-K90 PolarHBondContact O-N 2.93Å; L86-K90 VanDerWaalsContact O-N 3.11Å
87	E	33.1	Very low	35.6	Very low	108 Å²	108	79.3 Å²	79.3	51%	0.505	44%	0.437	S	S	.	.	H	α-helix	trans	-70.9	-35.5	179.6	-73.1	157.9	149.4	0	0	111.4	S84 H91	S84-E87 WeakPolarHBondContact CB-OE2 3.38Å; S84-E87 PolarHBondContact N-OE2 3.05Å; S84-E87 PolarHBondContact O-N 3.45Å; S84-E87 VanDerWaalsContact OG-CG 3.29Å; S84-E87 WeakPolarHBondContact OG-CG 3.41Å; S84-E87 PolarHBondContact OG-N 2.78Å; S84-E87 PolarHBondContact OG-OE2 3.28Å; E87-H91 PolarHBondContact O-N 3.3Å
88	L	31.5	Very low	36.2	Very low	54 Å²	54	76.7 Å²	76.7	28%	0.283	42%	0.419	S	S	.	.	H	α-helix	trans	-70.4	-39.9	178.1	-79	161.1	0	0	0	113.2	L83 S84	L83-L88 HydrophobicContact CB-CD1 4.01Å; L83-L88 HydrophobicContact CB-CG 4.35Å; L83-L88 HydrophobicContact CD1-CD2 4.49Å; S84-L88 PolarHBondContact O-N 3.21Å
89	T	30	Very low	36.5	Very low	82 Å²	82	74 Å²	74	50%	0.503	40%	0.398	S	S	.	.	H	α-helix	trans	-71.8	-38	176.3	38.1	0	0	0	0	111.9	A85 L86 A92 C93	A85-T89 PolarHBondContact O-N 2.86Å; A85-T89 PolarHBondContact O-OG1 2.72Å; L86-T89 WeakPolarHBondContact CA-OG1 3.44Å; L86-T89 PolarHBondContact O-OG1 2.81Å; L86-T89 VanDerWaalsContact O-OG1 3.13Å; T89-A92 PolarHBondContact O-N 3.34Å; T89-C93 PolarHBondContact O-N 2.91Å; T89-C93 VanDerWaalsContact O-N 3.12Å; T89-C93 PolarHBondContact O-SG 3Å
90	K	37.4	Very low	36.7	Very low	86 Å²	86	74.2 Å²	74.2	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-62.4	-45.4	179.4	-169	174.2	-178.6	-77.7	0	112.3	L86 A92 C93 E94	L86-K90 VanDerWaalsContact O-CB 3.25Å; L86-K90 WeakPolarHBondContact O-CB 3.3Å; L86-K90 PolarHBondContact O-N 2.93Å; L86-K90 VanDerWaalsContact O-N 3.11Å; K90-A92 VanDerWaalsContact C-N 3.29Å; K90-A92 PolarHBondContact O-N 3.17Å; K90-C93 PolarHBondContact O-N 2.94Å; K90-E94 WeakPolarHBondContact CG-OE1 2.91Å; K90-E94 IonicContact NZ-OE1 2.65Å; K90-E94 PolarHBondContact NZ-OE1 3.27Å; K90-E94 WeakPolarHBondContact O-CB 3.32Å; K90-E94 WeakPolarHBondContact O-CG 3.28Å; K90-E94 PolarHBondContact O-N 2.79Å
91	H	37.9	Very low	37.3	Very low	97 Å²	97	67.6 Å²	67.6	45%	0.449	37%	0.365	S	S	.	.	H	α-helix	trans	-65.7	-34	180	-152.4	54.4	0	0	0	112.6	E87 E94 Q95	E87-H91 PolarHBondContact O-N 3.3Å; H91-E94 IonicContact ND1-OE2 3.68Å; H91-Q95 VanDerWaalsContact O-CG 3.26Å; H91-Q95 WeakPolarHBondContact O-CG 3.17Å; H91-Q95 PolarHBondContact O-N 3.36Å
92	A	36.4	Very low	38	Very low	9 Å²	9	65.8 Å²	65.8	7%	0.074	36%	0.358	C	S	.	.	H	α-helix	trans	-73.6	-39	-180	0	0	0	0	0	112.7	L69 T89 K90 Q95 G96	L69-A92 HydrophobicContact CB-CB 3.6Å; L69-A92 HydrophobicContact CD1-CB 3.84Å; L69-A92 WeakPolarHBondContact CD1-O 3.29Å; L69-A92 HydrophobicContact CD2-CB 3.92Å; L69-A92 HydrophobicContact CG-CB 3.97Å; T89-A92 PolarHBondContact O-N 3.34Å; K90-A92 VanDerWaalsContact C-N 3.29Å; K90-A92 PolarHBondContact O-N 3.17Å; A92-Q95 PolarHBondContact O-N 3.2Å; A92-G96 PolarHBondContact O-N 3.17Å; A92-G96 VanDerWaalsContact O-N 3.1Å
93	C	38.2	Very low	38.8	Very low	55 Å²	55	61.4 Å²	61.4	37%	0.372	34%	0.342	S	S	.	.	H	α-helix	trans	-67.1	-38.2	173.3	-70.2	0	0	0	0	112.5	T89 K90 Q95 G96 A97	T89-C93 PolarHBondContact O-N 2.91Å; T89-C93 VanDerWaalsContact O-N 3.12Å; T89-C93 PolarHBondContact O-SG 3Å; K90-C93 PolarHBondContact O-N 2.94Å; C93-Q95 VanDerWaalsContact C-N 3.34Å; C93-Q95 PolarHBondContact O-N 3.44Å; C93-G96 PolarHBondContact O-N 3.41Å; C93-A97 PolarHBondContact O-N 2.69Å
94	E	42.3	Very low	39.4	Very low	37 Å²	37	57.3 Å²	57.3	17%	0.173	32%	0.321	C	S	.	.	H	α-helix	trans	-59.7	-43	175.7	-77.7	167	178.1	0	0	111.5	K90 H91 V98	K90-E94 WeakPolarHBondContact CG-OE1 2.91Å; K90-E94 IonicContact NZ-OE1 2.65Å; K90-E94 PolarHBondContact NZ-OE1 3.27Å; K90-E94 WeakPolarHBondContact O-CB 3.32Å; K90-E94 WeakPolarHBondContact O-CG 3.28Å; K90-E94 PolarHBondContact O-N 2.79Å; H91-E94 IonicContact ND1-OE2 3.68Å; E94-V98 WeakPolarHBondContact O-CG2 3.12Å
95	Q	44.5	Very low	40.4	Very low	80 Å²	80	55 Å²	55	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-68.3	-42.2	176.2	-65.7	-66.3	-28.1	0	0	111.8	H91 A92 C93 A97 V98 Y99	H91-Q95 VanDerWaalsContact O-CG 3.26Å; H91-Q95 WeakPolarHBondContact O-CG 3.17Å; H91-Q95 PolarHBondContact O-N 3.36Å; A92-Q95 PolarHBondContact O-N 3.2Å; C93-Q95 VanDerWaalsContact C-N 3.34Å; C93-Q95 PolarHBondContact O-N 3.44Å; Q95-A97 VanDerWaalsContact C-N 3.34Å; Q95-A97 PolarHBondContact O-N 3.26Å; Q95-V98 PolarHBondContact O-N 3Å; Q95-Y99 WeakPolarHBondContact O-CD2 3.07Å
96	G	44.4	Very low	41.5	Very low	29 Å²	29	56 Å²	56	30%	0.299	31%	0.308	S	S	.	.	H	α-helix	trans	-59.5	-39.5	176.7	0	0	0	0	0	113.9	A92 C93 V98 Y99 V100	A92-G96 PolarHBondContact O-N 3.17Å; A92-G96 VanDerWaalsContact O-N 3.1Å; C93-G96 PolarHBondContact O-N 3.41Å; G96-V98 VanDerWaalsContact C-N 3.31Å; G96-V98 PolarHBondContact O-N 2.68Å; G96-Y99 PolarHBondContact O-N 2.62Å; G96-V100 WeakPolarHBondContact O-CG2 3.43Å; G96-V100 PolarHBondContact O-N 2.95Å
97	A	43.6	Very low	42.2	Very low	27 Å²	27	56.5 Å²	56.5	22%	0.223	31%	0.305	C	S	.	.	H	α-helix	trans	-64.5	-33.8	179.1	0	0	0	0	0	113.2	C93 Q95 L101	C93-A97 PolarHBondContact O-N 2.69Å; Q95-A97 VanDerWaalsContact C-N 3.34Å; Q95-A97 PolarHBondContact O-N 3.26Å; A97-L101 WeakPolarHBondContact O-CG 3.35Å; A97-L101 PolarHBondContact O-N 2.96Å
98	V	47	Very low	43.1	Very low	16 Å²	16	52.6 Å²	52.6	10%	0.097	29%	0.287	C	S	.	.	H	α-helix	trans	-65.5	-43.2	178.4	176	0	0	0	0	110.9	E94 Q95 G96 L101 A102 M121 I124 L125	E94-V98 WeakPolarHBondContact O-CG2 3.12Å; Q95-V98 PolarHBondContact O-N 3Å; G96-V98 VanDerWaalsContact C-N 3.31Å; G96-V98 PolarHBondContact O-N 2.68Å; V98-L101 PolarHBondContact O-N 3.22Å; V98-A102 WeakPolarHBondContact O-CB 3.15Å; V98-A102 PolarHBondContact O-N 2.98Å; V98-M121 HydrophobicContact CG1-CE 4.33Å; V98-I124 HydrophobicContact CG2-CG2 3.91Å; V98-L125 HydrophobicContact CB-CD2 4.46Å; V98-L125 HydrophobicContact CG1-CD1 4.06Å; V98-L125 HydrophobicContact CG1-CD2 3.97Å; V98-L125 HydrophobicContact CG1-CG 4.15Å; V98-L125 HydrophobicContact CG2-CD2 3.65Å; V98-L125 HydrophobicContact CG2-CG 3.91Å
99	Y	45.7	Very low	43.8	Very low	105 Å²	105	55.5 Å²	55.5	41%	0.412	31%	0.312	S	S	.	.	H	α-helix	trans	-65.3	-41.5	178.6	-68.1	-76.8	0	0	0	112.5	Q95 G96 L101 A102 D103 F182	Q95-Y99 WeakPolarHBondContact O-CD2 3.07Å; G96-Y99 PolarHBondContact O-N 2.62Å; Y99-L101 VanDerWaalsContact C-N 3.31Å; Y99-L101 PolarHBondContact O-N 3.09Å; Y99-A102 WeakPolarHBondContact O-CB 3.35Å; Y99-A102 PolarHBondContact O-N 3.42Å; Y99-D103 PolarHBondContact O-N 3.42Å; Y99-F182 AromaticContact CE1-CE2 3.85Å; Y99-F182 HydrophobicContact CE1-CE2 3.85Å; Y99-F182 HydrophobicContact CE1-CZ 4.29Å; Y99-F182 AromaticContact CZ-CE2 3.96Å; Y99-F182 WeakPolarHBondContact OH-CE2 3.44Å
100	V	43.5	Very low	45.1	Very low	43 Å²	43	55.1 Å²	55.1	26%	0.261	31%	0.307	S	S	.	.	H	α-helix	trans	-62.2	-40.7	178.7	173.9	0	0	0	0	111.3	G96 L104 L161	G96-V100 WeakPolarHBondContact O-CG2 3.43Å; G96-V100 PolarHBondContact O-N 2.95Å; V100-L104 WeakPolarHBondContact O-CB 3.33Å; V100-L104 PolarHBondContact O-N 3.36Å; V100-L161 HydrophobicContact CG1-CD1 3.63Å; V100-L161 HydrophobicContact CG1-CD2 3.83Å; V100-L161 HydrophobicContact CG1-CG 3.75Å
101	L	45.8	Very low	45.9	Very low	13 Å²	13	56.4 Å²	56.4	7%	0.068	32%	0.318	C	S	.	.	H	α-helix	trans	-73.6	-31.6	177.3	-69.4	169.9	0	0	0	112.7	A97 V98 Y99 A105 A120 M121 I124	A97-L101 WeakPolarHBondContact O-CG 3.35Å; A97-L101 PolarHBondContact O-N 2.96Å; V98-L101 PolarHBondContact O-N 3.22Å; Y99-L101 VanDerWaalsContact C-N 3.31Å; Y99-L101 PolarHBondContact O-N 3.09Å; L101-A105 WeakPolarHBondContact O-CB 3.36Å; L101-A105 PolarHBondContact O-N 3.4Å; L101-A120 HydrophobicContact CD1-CB 4.48Å; L101-M121 VanDerWaalsContact C-SD 3.54Å; L101-M121 HydrophobicContact CB-CG 3.32Å; L101-M121 HydrophobicContact CB-SD 4.06Å; L101-M121 HydrophobicContact CD1-CG 4.17Å; L101-M121 HydrophobicContact CG-CG 4.38Å; L101-I124 HydrophobicContact CD1-CD1 3.21Å
102	A	47.8	Very low	46.6	Very low	37 Å²	37	57.8 Å²	57.8	31%	0.306	32%	0.32	S	S	.	.	H	α-helix	trans	-64.4	-47.6	173.4	0	0	0	0	0	111.6	V98 Y99 A105 S106 M121	V98-A102 WeakPolarHBondContact O-CB 3.15Å; V98-A102 PolarHBondContact O-N 2.98Å; Y99-A102 WeakPolarHBondContact O-CB 3.35Å; Y99-A102 PolarHBondContact O-N 3.42Å; A102-A105 PolarHBondContact O-N 3.28Å; A102-S106 PolarHBondContact O-N 2.73Å; A102-M121 VanDerWaalsContact CA-SD 3.55Å; A102-M121 HydrophobicContact CB-CE 3.43Å; A102-M121 VanDerWaalsContact CB-CE 3.43Å; A102-M121 HydrophobicContact CB-SD 4.16Å; A102-M121 PolarHBondContact N-SD 3.12Å
103	D	46.1	Very low	47.2	Very low	71 Å²	71	60.1 Å²	60.1	38%	0.38	33%	0.329	S	S	.	.	H	α-helix	trans	-62.7	-43.5	176.1	178.7	56.3	0	0	0	111.1	Y99 A105 S106 K107	Y99-D103 PolarHBondContact O-N 3.42Å; D103-A105 PolarHBondContact O-N 2.97Å; D103-S106 WeakPolarHBondContact O-CB 3.45Å; D103-S106 PolarHBondContact O-N 2.85Å; D103-S106 VanDerWaalsContact O-N 3.15Å; D103-S106 PolarHBondContact O-OG 2.69Å; D103-K107 PolarHBondContact O-N 3.15Å; D103-K107 VanDerWaalsContact O-N 3.1Å; D103-K107 VanDerWaalsContact OD1-CE 3.23Å; D103-K107 WeakPolarHBondContact OD1-CE 3.47Å; D103-K107 IonicContact OD1-NZ 3.59Å; D103-K107 PolarHBondContact OD1-NZ 3.17Å; D103-K107 WeakPolarHBondContact OD2-CE 3.23Å; D103-K107 IonicContact OD2-NZ 2.69Å; D103-K107 PolarHBondContact OD2-NZ 3.27Å
104	L	44.9	Very low	47.9	Very low	17 Å²	17	61.1 Å²	61.1	9%	0.089	33%	0.325	C	S	.	.	H	α-helix	trans	-59.9	-45.3	174.6	-172.1	71.2	0	0	0	111.8	V100 S106 K107 I108 F152 L161	V100-L104 WeakPolarHBondContact O-CB 3.33Å; V100-L104 PolarHBondContact O-N 3.36Å; L104-S106 PolarHBondContact O-N 2.88Å; L104-K107 PolarHBondContact O-N 3.38Å; L104-K107 VanDerWaalsContact O-N 3.13Å; L104-I108 HydrophobicContact CD2-CD1 4.24Å; L104-I108 HydrophobicContact CG-CD1 3.97Å; L104-I108 HydrophobicContact CG-CG1 4.43Å; L104-I108 VanDerWaalsContact O-CG1 3.28Å; L104-I108 WeakPolarHBondContact O-CG1 3.38Å; L104-I108 PolarHBondContact O-N 2.87Å; L104-F152 HydrophobicContact CD2-CE2 4.35Å; L104-F152 HydrophobicContact CD2-CZ 4.13Å; L104-L161 HydrophobicContact CB-CD2 3.83Å; L104-L161 HydrophobicContact CD1-CD2 3.73Å; L104-L161 HydrophobicContact CD2-CD2 3.43Å; L104-L161 VanDerWaalsContact CD2-CD2 3.43Å; L104-L161 HydrophobicContact CG-CD2 3.8Å
105	A	50.9	Low	48.5	Very low	3 Å²	3	64.9 Å²	64.9	3%	0.025	34%	0.343	C	S	.	.	H	α-helix	trans	-60.3	-36.1	177.9	0	0	0	0	0	111.6	L101 A102 D103 R114 A117 M118 M121	L101-A105 WeakPolarHBondContact O-CB 3.36Å; L101-A105 PolarHBondContact O-N 3.4Å; A102-A105 PolarHBondContact O-N 3.28Å; D103-A105 PolarHBondContact O-N 2.97Å; A105-R114 HydrophobicContact CB-CG 4.29Å; A105-R114 WeakPolarHBondContact O-CG 3.39Å; A105-R114 PolarHBondContact O-NE 3.34Å; A105-A117 HydrophobicContact CB-CB 3.99Å; A105-M118 HydrophobicContact CB-CG 4.24Å; A105-M121 HydrophobicContact CB-SD 4.48Å
106	S	50.9	Low	48.9	Very low	72 Å²	72	64.1 Å²	64.1	50%	0.503	34%	0.338	S	S	.	.	H	α-helix	trans	-67.7	-33.6	176.4	84.6	0	0	0	0	113.2	A102 D103 L104	A102-S106 PolarHBondContact O-N 2.73Å; D103-S106 WeakPolarHBondContact O-CB 3.45Å; D103-S106 PolarHBondContact O-N 2.85Å; D103-S106 VanDerWaalsContact O-N 3.15Å; D103-S106 PolarHBondContact O-OG 2.69Å; L104-S106 PolarHBondContact O-N 2.88Å
107	K	45.3	Very low	49.3	Very low	146 Å²	146	62.8 Å²	62.8	64%	0.635	32%	0.324	S	S	*	.	H	α-helix	trans	-83.6	-18.9	-179.1	-71.3	171.6	179.2	165.4	0	113.8	D103 L104 S109	D103-K107 PolarHBondContact O-N 3.15Å; D103-K107 VanDerWaalsContact O-N 3.1Å; D103-K107 VanDerWaalsContact OD1-CE 3.23Å; D103-K107 WeakPolarHBondContact OD1-CE 3.47Å; D103-K107 IonicContact OD1-NZ 3.59Å; D103-K107 PolarHBondContact OD1-NZ 3.17Å; D103-K107 WeakPolarHBondContact OD2-CE 3.23Å; D103-K107 IonicContact OD2-NZ 2.69Å; D103-K107 PolarHBondContact OD2-NZ 3.27Å; L104-K107 PolarHBondContact O-N 3.38Å; L104-K107 VanDerWaalsContact O-N 3.13Å; K107-S109 PolarHBondContact O-N 3.46Å
108	I	51.8	Low	49.7	Very low	25 Å²	25	63.4 Å²	63.4	13%	0.128	32%	0.323	C	S	.	.			trans	-74.9	120.1	176.7	-69.8	164.3	0	0	0	109.6	L104 D110 H113 R114 A117 F152	L104-I108 HydrophobicContact CD2-CD1 4.24Å; L104-I108 HydrophobicContact CG-CD1 3.97Å; L104-I108 HydrophobicContact CG-CG1 4.43Å; L104-I108 VanDerWaalsContact O-CG1 3.28Å; L104-I108 WeakPolarHBondContact O-CG1 3.38Å; L104-I108 PolarHBondContact O-N 2.87Å; I108-D110 HydrophobicContact CG2-CB 4.43Å; I108-D110 VanDerWaalsContact CG2-O 3.22Å; I108-D110 WeakPolarHBondContact CG2-O 3.47Å; I108-H113 HydrophobicContact CD1-CB 4.33Å; I108-H113 HydrophobicContact CG2-CB 3.55Å; I108-R114 HydrophobicContact CB-CB 4.39Å; I108-R114 HydrophobicContact CG2-CB 4.1Å; I108-R114 PolarHBondContact O-NE 3.28Å; I108-R114 PolarHBondContact O-NH2 3.41Å; I108-A117 HydrophobicContact CD1-CB 4.04Å; I108-F152 HydrophobicContact CD1-CE1 4.45Å; I108-F152 HydrophobicContact CD1-CZ 4.47Å
109	S	45.3	Very low	50.2	Low	115 Å²	115	66.8 Å²	66.8	80%	0.804	34%	0.338	S	S	*	.			trans	-80	-22.9	177.6	55.7	0	0	0	0	114.1	K107	K107-S109 PolarHBondContact O-N 3.46Å
110	D	58.3	Low	50.5	Low	74 Å²	74	62 Å²	62	40%	0.396	32%	0.32	S	S	.	.	S	Bend	trans	-90.2	122.3	-179	-179.8	29.6	0	0	0	111.9	I108 Y112 H113 R114	I108-D110 HydrophobicContact CG2-CB 4.43Å; I108-D110 VanDerWaalsContact CG2-O 3.22Å; I108-D110 WeakPolarHBondContact CG2-O 3.47Å; D110-Y112 PolarHBondContact O-N 2.99Å; D110-H113 PolarHBondContact O-N 3.47Å; D110-H113 IonicContact OD2-CE1 2.7Å; D110-H113 PolarHBondContact OD2-CE1 3.46Å; D110-H113 IonicContact OD2-CG 3.53Å; D110-H113 IonicContact OD2-ND1 2.82Å; D110-H113 PolarHBondContact OD2-ND1 3.23Å; D110-R114 PolarHBondContact O-N 2.82Å
111	D	52.6	Low	51	Low	113 Å²	113	61 Å²	61	60%	0.604	31%	0.313	S	S	*	.	H	α-helix	trans	-57.7	-35.4	-176.4	-70.4	-28.5	0	0	0	112.4	R114 Q115	D111-R114 PolarHBondContact O-N 3.33Å; D111-R114 IonicContact OD1-NH1 2.74Å; D111-R114 PolarHBondContact OD1-NH1 2.65Å; D111-Q115 VanDerWaalsContact O-CB 3.31Å; D111-Q115 WeakPolarHBondContact O-CB 3.23Å; D111-Q115 PolarHBondContact O-N 3.45Å
112	Y	52.5	Low	51.4	Low	126 Å²	126	65.2 Å²	65.2	49%	0.494	33%	0.332	S	S	.	.	H	α-helix	trans	-65.5	-45.5	179.8	177.7	-104.4	0	0	0	112.4	D110 K116 F151	D110-Y112 PolarHBondContact O-N 2.99Å; Y112-K116 WeakPolarHBondContact O-CG 3.38Å; Y112-K116 PolarHBondContact O-N 2.73Å; Y112-K116 VanDerWaalsContact O-N 3.13Å; Y112-F151 AromaticContact CE1-CZ 3.95Å; Y112-F151 HydrophobicContact CE1-CZ 3.95Å
113	H	48.9	Very low	51.7	Low	58 Å²	58	66.1 Å²	66.1	27%	0.269	33%	0.332	S	S	.	.	H	α-helix	trans	-73.2	-33.5	178.5	-71.5	88.4	0	0	0	111.7	I108 D110 K116 A117 F151	I108-H113 HydrophobicContact CD1-CB 4.33Å; I108-H113 HydrophobicContact CG2-CB 3.55Å; D110-H113 PolarHBondContact O-N 3.47Å; D110-H113 IonicContact OD2-CE1 2.7Å; D110-H113 PolarHBondContact OD2-CE1 3.46Å; D110-H113 IonicContact OD2-CG 3.53Å; D110-H113 IonicContact OD2-ND1 2.82Å; D110-H113 PolarHBondContact OD2-ND1 3.23Å; H113-K116 PolarHBondContact O-N 2.81Å; H113-A117 PolarHBondContact O-N 3.38Å; H113-F151 AromaticContact CD2-CE1 3.86Å
114	R	53.8	Low	51.9	Low	77 Å²	77	63.2 Å²	63.2	29%	0.291	32%	0.316	S	S	.	.	H	α-helix	trans	-63.2	-45.5	173.6	-176.1	-177.7	-59	150.6	5.1	110.8	A105 I108 D110 D111 K116 A117 M118	A105-R114 HydrophobicContact CB-CG 4.29Å; A105-R114 WeakPolarHBondContact O-CG 3.39Å; A105-R114 PolarHBondContact O-NE 3.34Å; I108-R114 HydrophobicContact CB-CB 4.39Å; I108-R114 HydrophobicContact CG2-CB 4.1Å; I108-R114 PolarHBondContact O-NE 3.28Å; I108-R114 PolarHBondContact O-NH2 3.41Å; D110-R114 PolarHBondContact O-N 2.82Å; D111-R114 PolarHBondContact O-N 3.33Å; D111-R114 IonicContact OD1-NH1 2.74Å; D111-R114 PolarHBondContact OD1-NH1 2.65Å; R114-K116 VanDerWaalsContact C-N 3.3Å; R114-K116 PolarHBondContact O-N 2.68Å; R114-A117 PolarHBondContact O-N 3.1Å; R114-M118 HydrophobicContact CG-CE 3.91Å; R114-M118 HydrophobicContact CG-SD 4.18Å; R114-M118 WeakPolarHBondContact O-CG 3.25Å; R114-M118 PolarHBondContact O-N 3.11Å
115	Q	55.8	Low	52.1	Low	115 Å²	115	64.7 Å²	64.7	54%	0.537	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-39.6	176	-172.6	173.4	7.6	0	0	111.7	D111 M118 E119	D111-Q115 VanDerWaalsContact O-CB 3.31Å; D111-Q115 WeakPolarHBondContact O-CB 3.23Å; D111-Q115 PolarHBondContact O-N 3.45Å; Q115-M118 PolarHBondContact O-N 3.05Å; Q115-E119 WeakPolarHBondContact O-CB 3.47Å; Q115-E119 WeakPolarHBondContact O-CG 3.47Å; Q115-E119 PolarHBondContact O-N 3.49Å
116	K	52.1	Low	52	Low	64 Å²	64	69.5 Å²	69.5	28%	0.278	35%	0.349	S	S	.	.	H	α-helix	trans	-66.4	-39.4	175.2	-74.3	-74	164.7	-153.7	0	113.3	Y112 H113 R114 M118 E119 A120	Y112-K116 WeakPolarHBondContact O-CG 3.38Å; Y112-K116 PolarHBondContact O-N 2.73Å; Y112-K116 VanDerWaalsContact O-N 3.13Å; H113-K116 PolarHBondContact O-N 2.81Å; R114-K116 VanDerWaalsContact C-N 3.3Å; R114-K116 PolarHBondContact O-N 2.68Å; K116-M118 VanDerWaalsContact C-N 3.35Å; K116-E119 WeakPolarHBondContact CD-OE2 3.42Å; K116-E119 IonicContact NZ-OE1 2.68Å; K116-E119 IonicContact NZ-OE2 3.67Å; K116-E119 PolarHBondContact NZ-OE2 2.72Å; K116-E119 PolarHBondContact O-N 3.26Å; K116-A120 PolarHBondContact O-N 3.28Å
117	A	52.8	Low	51.9	Low	1 Å²	1	68.8 Å²	68.8	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-63.9	-41.2	172.8	0	0	0	0	0	111.4	A105 I108 H113 R114 A120 M121	A105-A117 HydrophobicContact CB-CB 3.99Å; I108-A117 HydrophobicContact CD1-CB 4.04Å; H113-A117 PolarHBondContact O-N 3.38Å; R114-A117 PolarHBondContact O-N 3.1Å; A117-A120 WeakPolarHBondContact O-CB 3.28Å; A117-A120 PolarHBondContact O-N 2.62Å; A117-M121 WeakPolarHBondContact O-CG 3.39Å; A117-M121 PolarHBondContact O-N 2.97Å
118	M	53	Low	51.9	Low	40 Å²	40	63 Å²	63	20%	0.197	32%	0.315	C	S	.	.	H	α-helix	trans	-66.7	-39.1	175.1	-71.6	175.1	169.4	0	0	113	A105 R114 Q115 K116 A120 M121 H122 L206	A105-M118 HydrophobicContact CB-CG 4.24Å; R114-M118 HydrophobicContact CG-CE 3.91Å; R114-M118 HydrophobicContact CG-SD 4.18Å; R114-M118 WeakPolarHBondContact O-CG 3.25Å; R114-M118 PolarHBondContact O-N 3.11Å; Q115-M118 PolarHBondContact O-N 3.05Å; K116-M118 VanDerWaalsContact C-N 3.35Å; M118-A120 VanDerWaalsContact C-N 3.29Å; M118-A120 PolarHBondContact O-N 3.1Å; M118-M121 WeakPolarHBondContact O-CB 3.38Å; M118-M121 PolarHBondContact O-N 3.05Å; M118-H122 PolarHBondContact O-CD2 3.33Å; M118-H122 PolarHBondContact O-N 3.4Å; M118-L206 HydrophobicContact CB-CD1 4.09Å; M118-L206 HydrophobicContact CE-CB 4.2Å; M118-L206 HydrophobicContact CG-CD1 4.25Å; M118-L206 HydrophobicContact SD-CB 4.06Å; M118-L206 HydrophobicContact SD-CD1 3.94Å
119	E	56.9	Low	51.3	Low	87 Å²	87	64.9 Å²	64.9	41%	0.407	34%	0.341	S	S	.	.	H	α-helix	trans	-60.3	-40.2	171.9	-78.5	175.5	-169.9	0	0	111.4	Q115 K116 H122 L123	Q115-E119 WeakPolarHBondContact O-CB 3.47Å; Q115-E119 WeakPolarHBondContact O-CG 3.47Å; Q115-E119 PolarHBondContact O-N 3.49Å; K116-E119 WeakPolarHBondContact CD-OE2 3.42Å; K116-E119 IonicContact NZ-OE1 2.68Å; K116-E119 IonicContact NZ-OE2 3.67Å; K116-E119 PolarHBondContact NZ-OE2 2.72Å; K116-E119 PolarHBondContact O-N 3.26Å; E119-H122 PolarHBondContact O-N 3.48Å; E119-L123 PolarHBondContact O-N 3.48Å
120	A	52.4	Low	50.6	Low	6 Å²	6	64.2 Å²	64.2	5%	0.05	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-43.4	175.3	0	0	0	0	0	112.4	L101 K116 A117 M118 H122 L123 I124 L148	L101-A120 HydrophobicContact CD1-CB 4.48Å; K116-A120 PolarHBondContact O-N 3.28Å; A117-A120 WeakPolarHBondContact O-CB 3.28Å; A117-A120 PolarHBondContact O-N 2.62Å; M118-A120 VanDerWaalsContact C-N 3.29Å; M118-A120 PolarHBondContact O-N 3.1Å; A120-H122 VanDerWaalsContact C-N 3.34Å; A120-L123 PolarHBondContact O-N 3.49Å; A120-I124 WeakPolarHBondContact O-CG1 3.21Å; A120-I124 PolarHBondContact O-N 3.2Å; A120-L148 HydrophobicContact CB-CD1 3.33Å; A120-L148 HydrophobicContact CB-CD2 3.89Å; A120-L148 HydrophobicContact CB-CG 4.25Å
121	M	53.4	Low	49.3	Very low	20 Å²	20	66.4 Å²	66.4	10%	0.099	34%	0.339	C	S	.	.	H	α-helix	trans	-58.4	-47.5	172.8	-69.6	172.6	69.4	0	0	111.3	V98 L101 A102 A105 A117 M118 L123 I124 L125	V98-M121 HydrophobicContact CG1-CE 4.33Å; L101-M121 VanDerWaalsContact C-SD 3.54Å; L101-M121 HydrophobicContact CB-CG 3.32Å; L101-M121 HydrophobicContact CB-SD 4.06Å; L101-M121 HydrophobicContact CD1-CG 4.17Å; L101-M121 HydrophobicContact CG-CG 4.38Å; A102-M121 VanDerWaalsContact CA-SD 3.55Å; A102-M121 HydrophobicContact CB-CE 3.43Å; A102-M121 VanDerWaalsContact CB-CE 3.43Å; A102-M121 HydrophobicContact CB-SD 4.16Å; A102-M121 PolarHBondContact N-SD 3.12Å; A105-M121 HydrophobicContact CB-SD 4.48Å; A117-M121 WeakPolarHBondContact O-CG 3.39Å; A117-M121 PolarHBondContact O-N 2.97Å; M118-M121 WeakPolarHBondContact O-CB 3.38Å; M118-M121 PolarHBondContact O-N 3.05Å; M121-L123 VanDerWaalsContact C-N 3.3Å; M121-L123 PolarHBondContact O-N 3.34Å; M121-I124 PolarHBondContact O-N 3.04Å; M121-L125 VanDerWaalsContact O-CB 3.32Å; M121-L125 WeakPolarHBondContact O-CB 3.25Å; M121-L125 VanDerWaalsContact O-CG 3.3Å; M121-L125 WeakPolarHBondContact O-CG 3.43Å; M121-L125 PolarHBondContact O-N 3.42Å
122	H	53.2	Low	48.1	Very low	102 Å²	102	64.1 Å²	64.1	47%	0.472	34%	0.335	S	S	.	.	H	α-helix	trans	-58.2	-42.5	177.6	-96.2	-62.9	0	0	0	112	M118 E119 A120 L125 D126 L206	M118-H122 PolarHBondContact O-CD2 3.33Å; M118-H122 PolarHBondContact O-N 3.4Å; E119-H122 PolarHBondContact O-N 3.48Å; A120-H122 VanDerWaalsContact C-N 3.34Å; H122-L125 PolarHBondContact O-N 3.38Å; H122-D126 WeakPolarHBondContact O-CB 3.33Å; H122-D126 PolarHBondContact O-N 2.82Å; H122-L206 WeakPolarHBondContact NE2-CD1 3.17Å
123	L	55.2	Low	46.8	Very low	57 Å²	57	64.2 Å²	64.2	30%	0.298	35%	0.352	S	S	.	.	H	α-helix	trans	-68.6	-38.9	179.8	-168.7	139.4	0	0	0	112.3	E119 A120 M121 E127 K144	E119-L123 PolarHBondContact O-N 3.48Å; A120-L123 PolarHBondContact O-N 3.49Å; M121-L123 VanDerWaalsContact C-N 3.3Å; M121-L123 PolarHBondContact O-N 3.34Å; L123-E127 HydrophobicContact CD2-CG 4.43Å; L123-E127 WeakPolarHBondContact O-CB 3.28Å; L123-E127 VanDerWaalsContact O-CG 3.28Å; L123-E127 WeakPolarHBondContact O-CG 3.47Å; L123-E127 PolarHBondContact O-N 3.27Å; L123-K144 HydrophobicContact CD1-CD 4.22Å; L123-K144 HydrophobicContact CD1-CG 4.4Å; L123-K144 HydrophobicContact CD2-CB 4.13Å; L123-K144 HydrophobicContact CD2-CD 4.48Å; L123-K144 HydrophobicContact CD2-CG 3.98Å
124	I	50.6	Low	45.6	Very low	10 Å²	10	67.8 Å²	67.8	5%	0.051	37%	0.373	C	S	.	.	H	α-helix	trans	-65	-44.1	174.3	-71.1	161.4	0	0	0	110.1	V98 L101 A120 M121 C128 L145	V98-I124 HydrophobicContact CG2-CG2 3.91Å; L101-I124 HydrophobicContact CD1-CD1 3.21Å; A120-I124 WeakPolarHBondContact O-CG1 3.21Å; A120-I124 PolarHBondContact O-N 3.2Å; M121-I124 PolarHBondContact O-N 3.04Å; I124-C128 VanDerWaalsContact O-CB 3.28Å; I124-C128 WeakPolarHBondContact O-CB 3.39Å; I124-C128 PolarHBondContact O-N 3.11Å; I124-C128 PolarHBondContact O-SG 3.13Å; I124-L145 HydrophobicContact CD1-CD2 4.35Å
125	L	48.7	Very low	44.3	Very low	48 Å²	48	71.6 Å²	71.6	25%	0.251	39%	0.392	S	S	.	.	H	α-helix	trans	-69.6	-36.4	179	-74.7	167.5	0	0	0	113.3	V98 M121 H122 C128 G129 F203	V98-L125 HydrophobicContact CB-CD2 4.46Å; V98-L125 HydrophobicContact CG1-CD1 4.06Å; V98-L125 HydrophobicContact CG1-CD2 3.97Å; V98-L125 HydrophobicContact CG1-CG 4.15Å; V98-L125 HydrophobicContact CG2-CD2 3.65Å; V98-L125 HydrophobicContact CG2-CG 3.91Å; M121-L125 VanDerWaalsContact O-CB 3.32Å; M121-L125 WeakPolarHBondContact O-CB 3.25Å; M121-L125 VanDerWaalsContact O-CG 3.3Å; M121-L125 WeakPolarHBondContact O-CG 3.43Å; M121-L125 PolarHBondContact O-N 3.42Å; H122-L125 PolarHBondContact O-N 3.38Å; L125-C128 CarbonylContact O-C 3.58Å; L125-C128 PolarHBondContact O-N 2.79Å; L125-G129 PolarHBondContact O-N 2.79Å; L125-F203 HydrophobicContact CD1-CE2 4.37Å; L125-F203 HydrophobicContact CD1-CZ 3.87Å
126	D	48.4	Very low	42.9	Very low	104 Å²	104	73.4 Å²	73.4	56%	0.556	40%	0.395	S	S	*	.	H	α-helix	trans	-68.2	-44.6	176.4	-166.5	43.6	0	0	0	110.5	H122 C128 G129 L130	H122-D126 WeakPolarHBondContact O-CB 3.33Å; H122-D126 PolarHBondContact O-N 2.82Å; D126-C128 VanDerWaalsContact C-N 3.3Å; D126-C128 PolarHBondContact O-N 3.04Å; D126-G129 PolarHBondContact O-N 2.71Å; D126-L130 WeakPolarHBondContact O-CB 3.39Å; D126-L130 WeakPolarHBondContact O-CG 3.4Å; D126-L130 PolarHBondContact O-N 2.93Å
127	E	48.6	Very low	41.8	Very low	56 Å²	56	72.7 Å²	72.7	26%	0.262	41%	0.406	S	S	.	.	H	α-helix	trans	-66.7	-30.1	173.5	-68.8	-83.5	177.3	0	0	112	L123 K140 V141	L123-E127 HydrophobicContact CD2-CG 4.43Å; L123-E127 WeakPolarHBondContact O-CB 3.28Å; L123-E127 VanDerWaalsContact O-CG 3.28Å; L123-E127 WeakPolarHBondContact O-CG 3.47Å; L123-E127 PolarHBondContact O-N 3.27Å; E127-K140 IonicContact OE1-NZ 3.44Å; E127-V141 HydrophobicContact CB-CG2 4.35Å
128	C	45.7	Very low	41.2	Very low	24 Å²	24	76.1 Å²	76.1	16%	0.162	43%	0.428	C	S	.	.	H	α-helix	trans	-76.6	-31.3	171.9	-68.6	0	0	0	0	113.1	I124 L125 D126	I124-C128 VanDerWaalsContact O-CB 3.28Å; I124-C128 WeakPolarHBondContact O-CB 3.39Å; I124-C128 PolarHBondContact O-N 3.11Å; I124-C128 PolarHBondContact O-SG 3.13Å; L125-C128 CarbonylContact O-C 3.58Å; L125-C128 PolarHBondContact O-N 2.79Å; D126-C128 VanDerWaalsContact C-N 3.3Å; D126-C128 PolarHBondContact O-N 3.04Å
129	G	39	Very low	40.5	Very low	65 Å²	65	78.6 Å²	78.6	67%	0.67	45%	0.445	S	S	*	.	H	α-helix	trans	-80.6	-17.4	179.1	0	0	0	0	0	113.8	L125 D126	L125-G129 PolarHBondContact O-N 2.79Å; D126-G129 PolarHBondContact O-N 2.71Å
130	L	31.7	Very low	39.9	Very low	102 Å²	102	79.4 Å²	79.4	53%	0.534	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	15.9	179.4	-83.5	164.9	0	0	0	114.9	D126 A132	D126-L130 WeakPolarHBondContact O-CB 3.39Å; D126-L130 WeakPolarHBondContact O-CG 3.4Å; D126-L130 PolarHBondContact O-N 2.93Å; L130-A132 PolarHBondContact O-N 2.83Å
131	L	30.5	Very low	39.6	Very low	120 Å²	120	81.2 Å²	81.2	63%	0.628	46%	0.457	S	S	*	.			trans	-72	55.2	169.7	-70.7	170.5	0	0	0	112.2
132	A	26.7	Very low	39.1	Very low	64 Å²	64	83.9 Å²	83.9	53%	0.529	47%	0.472	S	S	.	.	S	Bend	trans	-69.6	159.9	145.4	0	0	0	0	0	109	L130 N134	L130-A132 PolarHBondContact O-N 2.83Å; A132-N134 PolarHBondContact O-N 3.09Å
133	P	25.1	Very low	39	Very low	129 Å²	129	84.2 Å²	84.2	84%	0.838	47%	0.473	S	S	*	.	S	Bend	trans	-66.5	10.8	-163.8	-18.1	30.8	0	0	0	116.7
134	N	24.2	Very low	38.8	Very low	132 Å²	132	85.4 Å²	85.4	71%	0.706	48%	0.476	S	S	*	.			trans	-135.8	117.7	-176.7	-67.4	-45.4	0	0	0	110.2	A132	A132-N134 PolarHBondContact O-N 3.09Å
135	F	25.5	Very low	38.7	Very low	157 Å²	157	86.8 Å²	86.8	69%	0.689	48%	0.483	S	S	*	.			trans	103.3	137	134.7	-111.1	-60.1	0	0	0	121.3
136	Y	27.1	Very low	38.8	Very low	153 Å²	153	89.9 Å²	89.9	60%	0.6	50%	0.495	S	S	*	.			trans	75.8	98.1	157.7	-63.4	-70.1	0	0	0	117.3
137	G	30.3	Very low	39.2	Very low	50 Å²	50	90.1 Å²	90.1	52%	0.515	49%	0.493	S	S	.	.			trans	-66.8	-173.2	-173.3	0	0	0	0	0	117.2	V139	G137-V139 PolarHBondContact O-N 3.21Å
138	P	38.8	Very low	39.3	Very low	73 Å²	73	88.8 Å²	88.8	47%	0.474	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	1.9	-163.8	24.5	-35.7	0	0	0	116.9	I142	P138-I142 HydrophobicContact CB-CD1 4.24Å; P138-I142 WeakPolarHBondContact O-CD1 3.28Å; P138-I142 VanDerWaalsContact O-CG1 3.23Å; P138-I142 WeakPolarHBondContact O-CG1 3.43Å; P138-I142 PolarHBondContact O-N 2.82Å; P138-I142 VanDerWaalsContact O-N 3.17Å
139	V	39.3	Very low	39.5	Very low	92 Å²	92	88.6 Å²	88.6	56%	0.558	49%	0.487	S	S	*	.	H	α-helix	trans	-65.5	-44.8	-174.3	-176.7	0	0	0	0	111.7	G137 I142 E143	G137-V139 PolarHBondContact O-N 3.21Å; V139-I142 PolarHBondContact O-N 2.88Å; V139-E143 HydrophobicContact CG1-CG 4.43Å; V139-E143 WeakPolarHBondContact O-CB 3.47Å; V139-E143 WeakPolarHBondContact O-CG 3.03Å; V139-E143 PolarHBondContact O-N 2.93Å
140	K	43.7	Very low	40.1	Very low	103 Å²	103	91.2 Å²	91.2	45%	0.448	48%	0.482	S	S	.	.	H	α-helix	trans	-66.5	-40.5	-178.1	-71.7	-176.6	-180	176.2	0	112.9	E127 E143 K144	E127-K140 IonicContact OE1-NZ 3.44Å; K140-E143 PolarHBondContact O-N 3.26Å; K140-K144 WeakPolarHBondContact O-CB 3.24Å; K140-K144 PolarHBondContact O-N 2.99Å
141	V	45.3	Very low	40.8	Very low	44 Å²	44	90.6 Å²	90.6	27%	0.267	48%	0.475	S	S	.	.	H	α-helix	trans	-64.7	-43.9	177.8	178.9	0	0	0	0	110.2	E127 K144 L145	E127-V141 HydrophobicContact CB-CG2 4.35Å; V141-K144 PolarHBondContact O-N 3.14Å; V141-L145 HydrophobicContact CG1-CD1 4.06Å; V141-L145 WeakPolarHBondContact O-CB 3.26Å; V141-L145 VanDerWaalsContact O-CG 3.31Å; V141-L145 WeakPolarHBondContact O-CG 3.04Å; V141-L145 PolarHBondContact O-N 2.57Å
142	I	44.2	Very low	41.5	Very low	77 Å²	77	85.7 Å²	85.7	40%	0.395	45%	0.449	S	S	.	.	H	α-helix	trans	-65.4	-42	176.4	-67.4	167.7	0	0	0	111.4	P138 V139 K144 L145 K146	P138-I142 HydrophobicContact CB-CD1 4.24Å; P138-I142 WeakPolarHBondContact O-CD1 3.28Å; P138-I142 VanDerWaalsContact O-CG1 3.23Å; P138-I142 WeakPolarHBondContact O-CG1 3.43Å; P138-I142 PolarHBondContact O-N 2.82Å; P138-I142 VanDerWaalsContact O-N 3.17Å; V139-I142 PolarHBondContact O-N 2.88Å; I142-K144 VanDerWaalsContact C-N 3.34Å; I142-L145 PolarHBondContact O-N 3.03Å; I142-K146 HydrophobicContact CG2-CD 4.23Å; I142-K146 WeakPolarHBondContact O-CB 3.26Å; I142-K146 VanDerWaalsContact O-CG 3.28Å; I142-K146 WeakPolarHBondContact O-CG 3.24Å; I142-K146 PolarHBondContact O-N 2.8Å
143	E	51.3	Low	42.2	Very low	108 Å²	108	91 Å²	91	51%	0.505	46%	0.455	S	S	.	.	H	α-helix	trans	-61.1	-42.9	175.1	-78.8	177.1	171.4	0	0	111.5	V139 K140 K146 E147	V139-E143 HydrophobicContact CG1-CG 4.43Å; V139-E143 WeakPolarHBondContact O-CB 3.47Å; V139-E143 WeakPolarHBondContact O-CG 3.03Å; V139-E143 PolarHBondContact O-N 2.93Å; K140-E143 PolarHBondContact O-N 3.26Å; E143-K146 WeakPolarHBondContact O-CB 3.22Å; E143-K146 PolarHBondContact O-N 2.89Å; E143-E147 WeakPolarHBondContact O-CG 3.32Å; E143-E147 PolarHBondContact O-N 2.9Å
144	K	50.9	Low	42.7	Very low	83 Å²	83	92.9 Å²	92.9	36%	0.361	46%	0.457	S	S	.	.	H	α-helix	trans	-69.3	-39.5	178.7	-148.9	77.6	-173.2	161	0	113	L123 K140 V141 I142 K146 E147 L148	L123-K144 HydrophobicContact CD1-CD 4.22Å; L123-K144 HydrophobicContact CD1-CG 4.4Å; L123-K144 HydrophobicContact CD2-CB 4.13Å; L123-K144 HydrophobicContact CD2-CD 4.48Å; L123-K144 HydrophobicContact CD2-CG 3.98Å; K140-K144 WeakPolarHBondContact O-CB 3.24Å; K140-K144 PolarHBondContact O-N 2.99Å; V141-K144 PolarHBondContact O-N 3.14Å; I142-K144 VanDerWaalsContact C-N 3.34Å; K144-K146 VanDerWaalsContact C-N 3.29Å; K144-K146 PolarHBondContact O-N 2.91Å; K144-E147 WeakPolarHBondContact CD-OE2 3.22Å; K144-E147 WeakPolarHBondContact CE-OE2 3.18Å; K144-E147 IonicContact NZ-OE2 3.8Å; K144-E147 PolarHBondContact NZ-OE2 2.93Å; K144-E147 PolarHBondContact O-N 3.48Å; K144-L148 WeakPolarHBondContact O-CD1 3.33Å; K144-L148 VanDerWaalsContact O-CG 3.31Å; K144-L148 WeakPolarHBondContact O-CG 3.42Å; K144-L148 PolarHBondContact O-N 3.26Å
145	L	48.3	Very low	43.3	Very low	38 Å²	38	92 Å²	92	20%	0.199	45%	0.449	C	S	.	.	H	α-helix	trans	-62.3	-37.4	172.5	-74.1	170.6	0	0	0	111.6	I124 V141 I142 L148 A149	I124-L145 HydrophobicContact CD1-CD2 4.35Å; V141-L145 HydrophobicContact CG1-CD1 4.06Å; V141-L145 WeakPolarHBondContact O-CB 3.26Å; V141-L145 VanDerWaalsContact O-CG 3.31Å; V141-L145 WeakPolarHBondContact O-CG 3.04Å; V141-L145 PolarHBondContact O-N 2.57Å; I142-L145 PolarHBondContact O-N 3.03Å; L145-L148 PolarHBondContact O-N 3.36Å; L145-A149 WeakPolarHBondContact O-CB 3.14Å; L145-A149 PolarHBondContact O-N 3.28Å
146	K	51.1	Low	43.9	Very low	114 Å²	114	92.5 Å²	92.5	50%	0.496	45%	0.453	S	S	.	.	H	α-helix	trans	-66	-42.3	172.6	-75.5	173.5	179.9	178.5	0	112.4	I142 E143 K144 L148 A149 E150	I142-K146 HydrophobicContact CG2-CD 4.23Å; I142-K146 WeakPolarHBondContact O-CB 3.26Å; I142-K146 VanDerWaalsContact O-CG 3.28Å; I142-K146 WeakPolarHBondContact O-CG 3.24Å; I142-K146 PolarHBondContact O-N 2.8Å; E143-K146 WeakPolarHBondContact O-CB 3.22Å; E143-K146 PolarHBondContact O-N 2.89Å; K144-K146 VanDerWaalsContact C-N 3.29Å; K144-K146 PolarHBondContact O-N 2.91Å; K146-L148 VanDerWaalsContact C-N 3.32Å; K146-L148 PolarHBondContact O-N 2.78Å; K146-A149 PolarHBondContact O-N 2.75Å; K146-E150 PolarHBondContact O-N 3.02Å
147	E	55.9	Low	44.3	Very low	109 Å²	109	88.7 Å²	88.7	51%	0.509	45%	0.449	S	S	.	.	H	α-helix	trans	-60.7	-42.7	174.7	-75	178.5	-175	0	0	111.5	E143 K144 E150 F151	E143-E147 WeakPolarHBondContact O-CG 3.32Å; E143-E147 PolarHBondContact O-N 2.9Å; K144-E147 WeakPolarHBondContact CD-OE2 3.22Å; K144-E147 WeakPolarHBondContact CE-OE2 3.18Å; K144-E147 IonicContact NZ-OE2 3.8Å; K144-E147 PolarHBondContact NZ-OE2 2.93Å; K144-E147 PolarHBondContact O-N 3.48Å; E147-E150 PolarHBondContact O-N 2.81Å; E147-F151 VanDerWaalsContact O-CB 3.28Å; E147-F151 WeakPolarHBondContact O-CB 3.42Å; E147-F151 PolarHBondContact O-N 2.9Å
148	L	51	Low	44.4	Very low	27 Å²	27	86.5 Å²	86.5	14%	0.141	43%	0.426	C	S	.	.	H	α-helix	trans	-64.7	-43.5	175.7	-71.1	159.3	0	0	0	111.2	A120 K144 L145 K146 E150 F151 F152	A120-L148 HydrophobicContact CB-CD1 3.33Å; A120-L148 HydrophobicContact CB-CD2 3.89Å; A120-L148 HydrophobicContact CB-CG 4.25Å; K144-L148 WeakPolarHBondContact O-CD1 3.33Å; K144-L148 VanDerWaalsContact O-CG 3.31Å; K144-L148 WeakPolarHBondContact O-CG 3.42Å; K144-L148 PolarHBondContact O-N 3.26Å; L145-L148 PolarHBondContact O-N 3.36Å; K146-L148 VanDerWaalsContact C-N 3.32Å; K146-L148 PolarHBondContact O-N 2.78Å; L148-E150 PolarHBondContact O-N 2.9Å; L148-F151 WeakPolarHBondContact O-CB 3.41Å; L148-F151 PolarHBondContact O-N 2.89Å; L148-F151 VanDerWaalsContact O-N 3.16Å; L148-F152 HydrophobicContact CB-CD2 4.47Å; L148-F152 HydrophobicContact CB-CE2 4.5Å; L148-F152 HydrophobicContact CD2-CE2 4.27Å; L148-F152 WeakPolarHBondContact O-CB 3.29Å; L148-F152 WeakPolarHBondContact O-CD2 3.41Å; L148-F152 PolarHBondContact O-N 3.03Å
149	A	49.4	Very low	44.3	Very low	21 Å²	21	90 Å²	90	17%	0.174	43%	0.43	C	S	.	.	H	α-helix	trans	-59.3	-42.7	175.8	0	0	0	0	0	112.8	L145 K146 A162 M166	L145-A149 WeakPolarHBondContact O-CB 3.14Å; L145-A149 PolarHBondContact O-N 3.28Å; K146-A149 PolarHBondContact O-N 2.75Å; A149-A162 HydrophobicContact CB-CB 3.55Å; A149-M166 HydrophobicContact CB-CE 4.24Å
150	E	52.4	Low	44.3	Very low	119 Å²	119	89.5 Å²	89.5	56%	0.556	42%	0.424	S	S	*	.	H	α-helix	trans	-71	-32	175.2	-76.6	-68.7	160.2	0	0	112.4	K146 E147 L148 R153	K146-E150 PolarHBondContact O-N 3.02Å; E147-E150 PolarHBondContact O-N 2.81Å; L148-E150 PolarHBondContact O-N 2.9Å; E150-R153 WeakPolarHBondContact O-CB 3.36Å; E150-R153 PolarHBondContact O-N 2.9Å; E150-R153 IonicContact OE1-NH1 2.7Å; E150-R153 WeakPolarHBondContact OE2-CD 3.35Å; E150-R153 IonicContact OE2-CZ 3.48Å; E150-R153 IonicContact OE2-NH1 3.71Å; E150-R153 PolarHBondContact OE2-NH1 3.37Å
151	F	46.3	Very low	44.1	Very low	89 Å²	89	86.5 Å²	86.5	39%	0.39	41%	0.413	S	S	.	.	H	α-helix	trans	-68.9	-38.8	177.2	-171.9	-100.3	0	0	0	112.1	Y112 H113 E147 L148 R153	Y112-F151 AromaticContact CE1-CZ 3.95Å; Y112-F151 HydrophobicContact CE1-CZ 3.95Å; H113-F151 AromaticContact CD2-CE1 3.86Å; E147-F151 VanDerWaalsContact O-CB 3.28Å; E147-F151 WeakPolarHBondContact O-CB 3.42Å; E147-F151 PolarHBondContact O-N 2.9Å; L148-F151 WeakPolarHBondContact O-CB 3.41Å; L148-F151 PolarHBondContact O-N 2.89Å; L148-F151 VanDerWaalsContact O-N 3.16Å; F151-R153 PolarHBondContact O-N 3.39Å
152	F	45.6	Very low	43.8	Very low	17 Å²	17	85.4 Å²	85.4	8%	0.075	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	6.7	177.7	-77.1	-61.9	0	0	0	114.6	L104 I108 L148 L154 Q155 A158	L104-F152 HydrophobicContact CD2-CE2 4.35Å; L104-F152 HydrophobicContact CD2-CZ 4.13Å; I108-F152 HydrophobicContact CD1-CE1 4.45Å; I108-F152 HydrophobicContact CD1-CZ 4.47Å; L148-F152 HydrophobicContact CB-CD2 4.47Å; L148-F152 HydrophobicContact CB-CE2 4.5Å; L148-F152 HydrophobicContact CD2-CE2 4.27Å; L148-F152 WeakPolarHBondContact O-CB 3.29Å; L148-F152 WeakPolarHBondContact O-CD2 3.41Å; L148-F152 PolarHBondContact O-N 3.03Å; F152-L154 PolarHBondContact O-N 2.76Å; F152-Q155 PolarHBondContact O-N 3.37Å; F152-A158 HydrophobicContact CB-CB 3.4Å; F152-A158 HydrophobicContact CD1-CB 3.27Å; F152-A158 HydrophobicContact CD2-CB 4.04Å; F152-A158 HydrophobicContact CE1-CB 4Å; F152-A158 HydrophobicContact CG-CB 3.3Å
153	R	39.7	Very low	43.7	Very low	175 Å²	175	85.9 Å²	85.9	66%	0.66	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-12.4	-175.6	-174.7	173.7	168.9	152.1	0.4	115.8	E150 F151	E150-R153 WeakPolarHBondContact O-CB 3.36Å; E150-R153 PolarHBondContact O-N 2.9Å; E150-R153 IonicContact OE1-NH1 2.7Å; E150-R153 WeakPolarHBondContact OE2-CD 3.35Å; E150-R153 IonicContact OE2-CZ 3.48Å; E150-R153 IonicContact OE2-NH1 3.71Å; E150-R153 PolarHBondContact OE2-NH1 3.37Å; F151-R153 PolarHBondContact O-N 3.39Å
154	L	37.3	Very low	43.3	Very low	170 Å²	170	83.2 Å²	83.2	89%	0.89	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-2.8	176.2	-74.6	162.4	0	0	0	114.4	F152	F152-L154 PolarHBondContact O-N 2.76Å
155	Q	36.9	Very low	42.8	Very low	113 Å²	113	80.5 Å²	80.5	53%	0.528	39%	0.39	S	S	.	.			trans	-122.5	114	-179.3	-73	-79.4	-32.6	0	0	109.7	F152 S157 A158 R159	F152-Q155 PolarHBondContact O-N 3.37Å; Q155-S157 PolarHBondContact O-N 3.28Å; Q155-A158 HydrophobicContact CB-CB 4.3Å; Q155-A158 PolarHBondContact O-N 2.81Å; Q155-R159 PolarHBondContact O-N 3.13Å
156	E	36.9	Very low	42.1	Very low	167 Å²	167	82.4 Å²	82.4	78%	0.78	40%	0.398	S	S	*	.	H	α-helix	trans	-56	-38.9	179.9	-80	178.4	155.7	0	0	112.2	A158 R159 D160	E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 3Å; E156-R159 PolarHBondContact O-N 2.78Å; E156-D160 VanDerWaalsContact O-CG 3.3Å; E156-D160 PolarHBondContact O-N 3.19Å
157	S	35.7	Very low	41.5	Very low	74 Å²	74	81.7 Å²	81.7	52%	0.517	40%	0.397	S	S	.	.	H	α-helix	trans	-61.1	-36.4	179.3	53.8	0	0	0	0	114.1	Q155 L161	Q155-S157 PolarHBondContact O-N 3.28Å; S157-L161 PolarHBondContact O-N 2.94Å; S157-L161 VanDerWaalsContact O-N 3.17Å
158	A	33	Very low	40.5	Very low	4 Å²	4	81.8 Å²	81.8	3%	0.033	40%	0.4	C	S	.	.	H	α-helix	trans	-91.9	-20.5	-178.3	0	0	0	0	0	112.5	F152 Q155 E156 A162	F152-A158 HydrophobicContact CB-CB 3.4Å; F152-A158 HydrophobicContact CD1-CB 3.27Å; F152-A158 HydrophobicContact CD2-CB 4.04Å; F152-A158 HydrophobicContact CE1-CB 4Å; F152-A158 HydrophobicContact CG-CB 3.3Å; Q155-A158 HydrophobicContact CB-CB 4.3Å; Q155-A158 PolarHBondContact O-N 2.81Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 3Å; A158-A162 WeakPolarHBondContact O-CB 3.37Å; A158-A162 PolarHBondContact O-N 3.46Å
159	R	35.4	Very low	39.6	Very low	146 Å²	146	85.4 Å²	85.4	55%	0.551	42%	0.419	S	S	*	.	H	α-helix	trans	-66.4	-41.5	163.3	-172.8	-178.3	170.5	151	1	111.1	Q155 E156 L161 R163	Q155-R159 PolarHBondContact O-N 3.13Å; E156-R159 PolarHBondContact O-N 2.78Å; R159-L161 VanDerWaalsContact C-N 3.34Å; R159-R163 VanDerWaalsContact NE-NH2 3.13Å; R159-R163 WeakPolarHBondContact O-CB 3.02Å; R159-R163 PolarHBondContact O-N 2.95Å
160	D	39.6	Very low	38.8	Very low	82 Å²	82	90.4 Å²	90.4	44%	0.439	44%	0.442	S	S	.	.	H	α-helix	trans	-65.1	-39.7	174.9	-68.6	-16.1	0	0	0	111.1	E156 R163 S164	E156-D160 VanDerWaalsContact O-CG 3.3Å; E156-D160 PolarHBondContact O-N 3.19Å; D160-R163 CarbonylContact O-C 3.53Å; D160-R163 PolarHBondContact O-N 3.21Å; D160-R163 IonicContact OD1-CZ 3.61Å; D160-R163 IonicContact OD1-NH1 3.82Å; D160-R163 PolarHBondContact OD1-NH1 2.75Å; D160-R163 IonicContact OD1-NH2 3.47Å; D160-S164 WeakPolarHBondContact O-CB 3.26Å; D160-S164 PolarHBondContact O-N 2.96Å; D160-S164 PolarHBondContact O-OG 3.25Å
161	L	39.4	Very low	37.8	Very low	40 Å²	40	93.1 Å²	93.1	21%	0.209	46%	0.455	C	S	.	.	H	α-helix	trans	-68.1	-45.1	176	-156.5	85.4	0	0	0	113.9	V100 L104 S157 R159 R163 S164 C165	V100-L161 HydrophobicContact CG1-CD1 3.63Å; V100-L161 HydrophobicContact CG1-CD2 3.83Å; V100-L161 HydrophobicContact CG1-CG 3.75Å; L104-L161 HydrophobicContact CB-CD2 3.83Å; L104-L161 HydrophobicContact CD1-CD2 3.73Å; L104-L161 HydrophobicContact CD2-CD2 3.43Å; L104-L161 VanDerWaalsContact CD2-CD2 3.43Å; L104-L161 HydrophobicContact CG-CD2 3.8Å; S157-L161 PolarHBondContact O-N 2.94Å; S157-L161 VanDerWaalsContact O-N 3.17Å; R159-L161 VanDerWaalsContact C-N 3.34Å; L161-R163 VanDerWaalsContact C-N 3.26Å; L161-R163 PolarHBondContact O-N 3.42Å; L161-S164 PolarHBondContact O-N 3.19Å; L161-C165 WeakPolarHBondContact O-CB 3.25Å; L161-C165 PolarHBondContact O-N 3.34Å; L161-C165 PolarHBondContact O-SG 3.45Å; L161-C165 VanDerWaalsContact O-SG 3.36Å
162	A	39.9	Very low	37	Very low	20 Å²	20	96 Å²	96	17%	0.165	47%	0.474	C	S	.	.	H	α-helix	trans	-65.5	-34.3	175.9	0	0	0	0	0	111.5	A149 A158 M166	A149-A162 HydrophobicContact CB-CB 3.55Å; A158-A162 WeakPolarHBondContact O-CB 3.37Å; A158-A162 PolarHBondContact O-N 3.46Å; A162-M166 WeakPolarHBondContact O-CB 3.45Å; A162-M166 WeakPolarHBondContact O-CG 3.43Å; A162-M166 PolarHBondContact O-N 3.02Å
163	R	42.5	Very low	36.1	Very low	87 Å²	87	102.6 Å²	102.6	33%	0.328	51%	0.51	S	S	.	.	H	α-helix	trans	-67.7	-46.5	171.7	-161.8	-168.1	-63.6	100.5	-5.5	110.6	R159 D160 L161 C165 M166 E167	R159-R163 VanDerWaalsContact NE-NH2 3.13Å; R159-R163 WeakPolarHBondContact O-CB 3.02Å; R159-R163 PolarHBondContact O-N 2.95Å; D160-R163 CarbonylContact O-C 3.53Å; D160-R163 PolarHBondContact O-N 3.21Å; D160-R163 IonicContact OD1-CZ 3.61Å; D160-R163 IonicContact OD1-NH1 3.82Å; D160-R163 PolarHBondContact OD1-NH1 2.75Å; D160-R163 IonicContact OD1-NH2 3.47Å; L161-R163 VanDerWaalsContact C-N 3.26Å; L161-R163 PolarHBondContact O-N 3.42Å; R163-C165 PolarHBondContact O-N 3.28Å; R163-M166 CarbonylContact O-C 3.58Å; R163-M166 PolarHBondContact O-N 3.11Å; R163-M166 VanDerWaalsContact O-N 3.1Å; R163-E167 WeakPolarHBondContact CD-OE1 3.23Å; R163-E167 HydrophobicContact CG-CG 4.11Å; R163-E167 VanDerWaalsContact CG-OE1 3.24Å; R163-E167 WeakPolarHBondContact CG-OE1 3.43Å; R163-E167 VanDerWaalsContact O-CB 3.26Å; R163-E167 WeakPolarHBondContact O-CB 3.46Å; R163-E167 VanDerWaalsContact O-CG 3.24Å; R163-E167 WeakPolarHBondContact O-CG 3.22Å; R163-E167 PolarHBondContact O-N 3.43Å
164	S	41.3	Very low	35.5	Very low	52 Å²	52	97.2 Å²	97.2	36%	0.364	51%	0.51	S	S	.	.	H	α-helix	trans	-62.1	-42	176.2	-67.4	0	0	0	0	112.1	D160 L161 M166 E167 I168	D160-S164 WeakPolarHBondContact O-CB 3.26Å; D160-S164 PolarHBondContact O-N 2.96Å; D160-S164 PolarHBondContact O-OG 3.25Å; L161-S164 PolarHBondContact O-N 3.19Å; S164-M166 VanDerWaalsContact C-N 3.33Å; S164-M166 PolarHBondContact O-N 3.36Å; S164-E167 PolarHBondContact O-N 3.09Å; S164-I168 WeakPolarHBondContact O-CB 3.42Å; S164-I168 VanDerWaalsContact O-CD1 3.26Å; S164-I168 WeakPolarHBondContact O-CD1 3.46Å; S164-I168 WeakPolarHBondContact O-CG1 3.29Å; S164-I168 PolarHBondContact O-N 3.47Å
165	C	40.5	Very low	35.3	Very low	27 Å²	27	97.8 Å²	97.8	18%	0.182	51%	0.507	C	S	.	.	H	α-helix	trans	-64.8	-35.9	173.3	-70.1	0	0	0	0	112.1	L161 R163 L169	L161-C165 WeakPolarHBondContact O-CB 3.25Å; L161-C165 PolarHBondContact O-N 3.34Å; L161-C165 PolarHBondContact O-SG 3.45Å; L161-C165 VanDerWaalsContact O-SG 3.36Å; R163-C165 PolarHBondContact O-N 3.28Å; C165-L169 WeakPolarHBondContact O-CB 3.43Å; C165-L169 VanDerWaalsContact O-CD1 3.25Å; C165-L169 WeakPolarHBondContact O-CD1 3.27Å; C165-L169 WeakPolarHBondContact O-CG 3.43Å; C165-L169 PolarHBondContact O-N 3.2Å
166	M	34.7	Very low	35.2	Very low	77 Å²	77	94.5 Å²	94.5	38%	0.379	50%	0.504	S	S	.	.	H	α-helix	trans	-76	-34	174.7	-74.5	-145.9	-107.4	0	0	113.1	A149 A162 R163 S164 L169 L170	A149-M166 HydrophobicContact CB-CE 4.24Å; A162-M166 WeakPolarHBondContact O-CB 3.45Å; A162-M166 WeakPolarHBondContact O-CG 3.43Å; A162-M166 PolarHBondContact O-N 3.02Å; R163-M166 CarbonylContact O-C 3.58Å; R163-M166 PolarHBondContact O-N 3.11Å; R163-M166 VanDerWaalsContact O-N 3.1Å; S164-M166 VanDerWaalsContact C-N 3.33Å; S164-M166 PolarHBondContact O-N 3.36Å; M166-L169 CarbonylContact O-C 3.59Å; M166-L169 PolarHBondContact O-N 3.4Å; M166-L170 WeakPolarHBondContact O-CB 3.33Å; M166-L170 VanDerWaalsContact O-CD1 3.32Å; M166-L170 WeakPolarHBondContact O-CD1 3.48Å; M166-L170 WeakPolarHBondContact O-CG 3.31Å; M166-L170 PolarHBondContact O-N 3.16Å; M166-L170 VanDerWaalsContact O-N 3.11Å
167	E	37.7	Very low	35.2	Very low	100 Å²	100	91 Å²	91	47%	0.467	50%	0.496	S	S	.	.	H	α-helix	trans	-70	-43.3	175.6	-77.1	167.8	170.1	0	0	110.5	R163 S164 L169 L170 E171	R163-E167 WeakPolarHBondContact CD-OE1 3.23Å; R163-E167 HydrophobicContact CG-CG 4.11Å; R163-E167 VanDerWaalsContact CG-OE1 3.24Å; R163-E167 WeakPolarHBondContact CG-OE1 3.43Å; R163-E167 VanDerWaalsContact O-CB 3.26Å; R163-E167 WeakPolarHBondContact O-CB 3.46Å; R163-E167 VanDerWaalsContact O-CG 3.24Å; R163-E167 WeakPolarHBondContact O-CG 3.22Å; R163-E167 PolarHBondContact O-N 3.43Å; S164-E167 PolarHBondContact O-N 3.09Å; E167-L169 PolarHBondContact O-N 3.03Å; E167-L170 PolarHBondContact O-N 3.42Å; E167-E171 PolarHBondContact O-N 3Å
168	I	35	Very low	35.2	Very low	110 Å²	110	95.2 Å²	95.2	56%	0.564	51%	0.507	S	S	*	.	H	α-helix	trans	-60.7	-30.6	171.8	-69.3	163	0	0	0	111.5	S164	S164-I168 WeakPolarHBondContact O-CB 3.42Å; S164-I168 VanDerWaalsContact O-CD1 3.26Å; S164-I168 WeakPolarHBondContact O-CD1 3.46Å; S164-I168 WeakPolarHBondContact O-CG1 3.29Å; S164-I168 PolarHBondContact O-N 3.47Å
169	L	32.3	Very low	35.1	Very low	103 Å²	103	101.1 Å²	101.1	54%	0.539	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-11	174.6	-74	168.4	0	0	0	113.4	C165 M166 E167	C165-L169 WeakPolarHBondContact O-CB 3.43Å; C165-L169 VanDerWaalsContact O-CD1 3.25Å; C165-L169 WeakPolarHBondContact O-CD1 3.27Å; C165-L169 WeakPolarHBondContact O-CG 3.43Å; C165-L169 PolarHBondContact O-N 3.2Å; M166-L169 CarbonylContact O-C 3.59Å; M166-L169 PolarHBondContact O-N 3.4Å; E167-L169 PolarHBondContact O-N 3.03Å
170	L	33.1	Very low	34.8	Very low	127 Å²	127	99 Å²	99	67%	0.665	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-36.4	-168.2	-77.9	167.1	0	0	0	115.8	M166 E167	M166-L170 WeakPolarHBondContact O-CB 3.33Å; M166-L170 VanDerWaalsContact O-CD1 3.32Å; M166-L170 WeakPolarHBondContact O-CD1 3.48Å; M166-L170 WeakPolarHBondContact O-CG 3.31Å; M166-L170 PolarHBondContact O-N 3.16Å; M166-L170 VanDerWaalsContact O-N 3.11Å; E167-L170 PolarHBondContact O-N 3.42Å
171	E	31.8	Very low	34.6	Very low	176 Å²	176	99.9 Å²	99.9	82%	0.822	53%	0.531	S	S	*	.			trans	-167.5	142.4	-176.3	-107.5	148.7	-150.7	0	0	113.1	E167	E167-E171 PolarHBondContact O-N 3Å
172	D	28.1	Very low	34.3	Very low	148 Å²	148	103 Å²	103	79%	0.791	54%	0.543	S	S	*	.			trans	-35.7	159	172.7	-102.7	-39.9	0	0	0	117.1
173	D	27.8	Very low	34.2	Very low	156 Å²	156	102.8 Å²	102.8	83%	0.834	54%	0.541	S	S	*	.			trans	100.9	89.7	154.9	-59.6	-32.1	0	0	0	120.3
174	G	27.7	Very low	34.1	Very low	63 Å²	63	101 Å²	101	65%	0.649	54%	0.54	S	S	*	.				115.1	114.2	129.7	0	0	0	0	0	120.4
175	H	31.2	Very low	34	Very low	182 Å²	182	102 Å²	102	84%	0.843	55%	0.547	S	S	*	.			trans	85.8	128.9	160.3	-72.5	-38.6	0	0	0	120.6	G65	G65-H175 CarbonylContact O-C 3.33Å; G65-H175 WeakPolarHBondContact O-CA 3.43Å; G65-H175 PolarHBondContact O-N 3.21Å
176	G	35.9	Very low	34.5	Very low	44 Å²	44	103.4 Å²	103.4	45%	0.454	55%	0.553	S	S	.	*			trans	-86.7	-162.4	-179.9	0	0	0	0	0	115.1	G65	G65-G176 VanDerWaalsContact C-N 3.25Å; G65-G176 PolarHBondContact O-N 3.13Å
177	P	36.6	Very low	35.7	Very low	94 Å²	94	104 Å²	104	61%	0.61	56%	0.557	S	S	*	*			cis	-147.3	-156.3	26.4	32	-4.4	0	0	0	115.8	I64	I64-P177 HydrophobicContact CG2-CB 3.83Å
178	E	35.6	Very low	37	Very low	162 Å²	162	101 Å²	101	76%	0.757	54%	0.542	S	S	*	.			trans	98.5	123.1	158.8	-47.5	-65.5	145.1	0	0	119.7
179	E	32.2	Very low	38.5	Very low	128 Å²	128	98.4 Å²	98.4	60%	0.598	53%	0.527	S	S	*	.			trans	-116.6	134	-176.2	-70.6	-178	-179.5	0	0	113.4	I64	I64-E179 HydrophobicContact CD1-CG 4.44Å
180	N	29.1	Very low	39.9	Very low	101 Å²	101	93.6 Å²	93.6	54%	0.54	50%	0.502	S	S	.	.			trans	-125.5	141.9	170.6	-76.3	-51.6	0	0	0	110.4
181	R	35	Very low	41.6	Very low	100 Å²	100	89 Å²	89	38%	0.377	48%	0.479	S	S	.	.			trans	-116.9	151.1	-179.9	-70.5	-171.5	177.6	-166.1	0.1	113.7	D223	R181-D223 VanDerWaalsContact CD-OD1 3.32Å; R181-D223 WeakPolarHBondContact CD-OD1 3.3Å; R181-D223 IonicContact NH1-OD1 2.81Å
182	F	32	Very low	43.5	Very low	107 Å²	107	82 Å²	82	47%	0.469	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-92.3	149.2	-176.8	-76.2	-85.4	0	0	0	114.4	Y99 F189	Y99-F182 AromaticContact CE1-CE2 3.85Å; Y99-F182 HydrophobicContact CE1-CE2 3.85Å; Y99-F182 HydrophobicContact CE1-CZ 4.29Å; Y99-F182 AromaticContact CZ-CE2 3.96Å; Y99-F182 WeakPolarHBondContact OH-CE2 3.44Å; F182-F189 HydrophobicContact CD1-CB 4.01Å; F182-F189 HydrophobicContact CE1-CB 4.21Å; F182-F189 HydrophobicContact CE1-CD1 4.44Å
183	A	37.5	Very low	45.3	Very low	15 Å²	15	76 Å²	76	12%	0.124	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-73.4	132.7	168.3	0	0	0	0	0	110.8	K188 W224	A183-K188 WeakPolarHBondContact CB-O 3.47Å; A183-K188 PolarHBondContact N-O 3.28Å; A183-W224 HydrophobicContact CB-CD2 3.48Å; A183-W224 VanDerWaalsContact CB-CD2 3.48Å; A183-W224 HydrophobicContact CB-CE3 3.51Å; A183-W224 HydrophobicContact CB-CG 4.11Å; A183-W224 HydrophobicContact CB-CH2 3.9Å; A183-W224 HydrophobicContact CB-CZ2 3.85Å; A183-W224 HydrophobicContact CB-CZ3 3.74Å
184	P	40.3	Very low	47.7	Very low	48 Å²	48	75 Å²	75	31%	0.312	42%	0.422	S	S	.	.	S	Bend	trans	-73.8	131.4	168.3	25.1	-22.4	0	0	0	109.2	L226	P184-L226 HydrophobicContact CG-CD2 4.08Å
185	C	39.8	Very low	49.9	Very low	75 Å²	75	75.5 Å²	75.5	51%	0.507	41%	0.41	S	S	.	.	S	Bend	trans	89.7	-17.8	166.8	92.7	0	0	0	0	121.5	E229	C185-E229 HydrophobicContact CB-CG 4.16Å; C185-E229 WeakPolarHBondContact CB-OE1 3.39Å; C185-E229 VanDerWaalsContact SG-CB 3.51Å; C185-E229 WeakPolarHBondContact SG-CG 3.5Å; C185-E229 PolarHBondContact SG-OE1 3.1Å; C185-E229 PolarHBondContact SG-OE2 3.29Å; C185-E229 VanDerWaalsContact SG-OE2 3.33Å
186	D	52.1	Low	52.3	Low	56 Å²	56	68.7 Å²	68.7	30%	0.299	38%	0.383	S	S	.	.	S	Bend	trans	-118.7	138.8	163	-89.3	-37.3	0	0	0	105.9	K188 K230	D186-K188 HydrophobicContact CB-CB 4.46Å; D186-K188 HydrophobicContact CB-CD 3.94Å; D186-K188 HydrophobicContact CB-CG 4Å; D186-K188 PolarHBondContact O-N 2.98Å; D186-K230 WeakPolarHBondContact OD2-CE 3.38Å
187	L	59.7	Low	54.3	Low	89 Å²	89	66.7 Å²	66.7	47%	0.466	36%	0.362	S	S	.	.	S	Bend	trans	-66.6	58.4	178.5	-92.5	176.3	0	0	0	109.6	F203 K204	L187-F203 HydrophobicContact CB-CB 4.05Å; L187-F203 HydrophobicContact CD1-CD1 4.21Å; L187-F203 HydrophobicContact CD2-CB 4.38Å; L187-F203 HydrophobicContact CD2-CD1 3.69Å; L187-F203 HydrophobicContact CD2-CE1 4.21Å; L187-F203 HydrophobicContact CD2-CG 4.2Å; L187-F203 HydrophobicContact CG-CD1 4.36Å; L187-F203 WeakPolarHBondContact O-CA 3.22Å; L187-F203 WeakPolarHBondContact O-CB 3.31Å; L187-F203 PolarHBondContact O-N 3.48Å; L187-K204 HydrophobicContact CB-CG 3.95Å; L187-K204 HydrophobicContact CD1-CD 4.25Å; L187-K204 HydrophobicContact CD1-CG 3.52Å; L187-K204 HydrophobicContact CG-CG 4.39Å
188	K	64	Low	56.4	Low	36 Å²	36	62.2 Å²	62.2	16%	0.157	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.1	-172.6	-64.3	179.9	-173.7	-162.6	0	108.9	A183 D186 I200 W201 E209	A183-K188 WeakPolarHBondContact CB-O 3.47Å; A183-K188 PolarHBondContact N-O 3.28Å; D186-K188 HydrophobicContact CB-CB 4.46Å; D186-K188 HydrophobicContact CB-CD 3.94Å; D186-K188 HydrophobicContact CB-CG 4Å; D186-K188 PolarHBondContact O-N 2.98Å; K188-I200 HydrophobicContact CB-CG2 4.33Å; K188-W201 WeakPolarHBondContact CA-O 3.3Å; K188-E209 WeakPolarHBondContact CD-OE2 3.46Å; K188-E209 WeakPolarHBondContact CE-OE2 3.47Å; K188-E209 IonicContact NZ-OE1 2.75Å; K188-E209 PolarHBondContact NZ-OE1 3.43Å; K188-E209 IonicContact NZ-OE2 3.82Å; K188-E209 PolarHBondContact NZ-OE2 2.94Å
189	F	66.2	Low	58.2	Low	56 Å²	56	58.2 Å²	58.2	25%	0.246	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.5	174.9	62.9	-86.1	0	0	0	109.8	F182 T191 I200 W201	F182-F189 HydrophobicContact CD1-CB 4.01Å; F182-F189 HydrophobicContact CE1-CB 4.21Å; F182-F189 HydrophobicContact CE1-CD1 4.44Å; F189-T191 HydrophobicContact CD2-CG2 3.95Å; F189-T191 HydrophobicContact CE2-CG2 3.91Å; F189-I200 WeakPolarHBondContact O-CA 3.43Å; F189-W201 HydrophobicContact CD1-CB 3.83Å; F189-W201 HydrophobicContact CD2-CB 4Å; F189-W201 AromaticContact CD2-CD1 3.72Å; F189-W201 HydrophobicContact CD2-CG 4.11Å; F189-W201 HydrophobicContact CE1-CB 3.37Å; F189-W201 HydrophobicContact CE1-CG 4.16Å; F189-W201 HydrophobicContact CE2-CB 3.57Å; F189-W201 AromaticContact CE2-CD1 3.3Å; F189-W201 HydrophobicContact CE2-CD2 4.37Å; F189-W201 AromaticContact CE2-CG 3.46Å; F189-W201 HydrophobicContact CE2-CG 3.46Å; F189-W201 VanDerWaalsContact CE2-CG 3.46Å; F189-W201 HydrophobicContact CG-CB 4.13Å; F189-W201 HydrophobicContact CZ-CB 3.22Å; F189-W201 AromaticContact CZ-CD1 3.86Å; F189-W201 HydrophobicContact CZ-CD2 4.29Å; F189-W201 AromaticContact CZ-CG 3.49Å; F189-W201 HydrophobicContact CZ-CG 3.49Å; F189-W201 VanDerWaalsContact CZ-CG 3.49Å; F189-W201 PolarHBondContact N-O 3.16Å; F189-W201 VanDerWaalsContact N-O 3.08Å; F189-W201 PolarHBondContact O-N 2.71Å
190	A	62.8	Low	60.2	Low	2 Å²	2	52.1 Å²	52.1	2%	0.017	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	144.2	178.8	0	0	0	0	0	109.7	R199 I200 V222 W224 F232	A190-R199 CarbonylContact C-O 3.5Å; A190-R199 VanDerWaalsContact CA-O 3.28Å; A190-R199 WeakPolarHBondContact CA-O 3.18Å; A190-I200 HydrophobicContact CB-CD1 3.5Å; A190-V222 HydrophobicContact CB-CG1 3.65Å; A190-W224 HydrophobicContact CB-CZ2 3.66Å; A190-F232 HydrophobicContact CB-CD2 4.45Å; A190-F232 HydrophobicContact CB-CE2 4.2Å; A190-F232 HydrophobicContact CB-CZ 4.36Å
191	T	67.7	Low	62.1	Low	31 Å²	31	50 Å²	50	19%	0.19	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137	173.3	58.9	0	0	0	0	109.5	F189 S198 R199 W201	F189-T191 HydrophobicContact CD2-CG2 3.95Å; F189-T191 HydrophobicContact CE2-CG2 3.91Å; T191-S198 CarbonylContact O-C 3.56Å; T191-S198 VanDerWaalsContact O-CA 3.25Å; T191-S198 WeakPolarHBondContact O-CA 3.43Å; T191-R199 PolarHBondContact N-O 3.07Å; T191-R199 PolarHBondContact O-N 3.24Å; T191-W201 PolarHBondContact OG1-NE1 3.41Å
192	G	71.3	Confident	63.4	Low	30 Å²	30	46.6 Å²	46.6	31%	0.309	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	145.9	165.6	0	0	0	0	0	110.8
193	G	66.9	Low	64.6	Low	21 Å²	21	44.4 Å²	44.4	22%	0.216	25%	0.246	C	C	.	.			trans	-126.6	156.5	176.1	0	0	0	0	0	113.2	D195 S196 T197 V219	G193-D195 PolarHBondContact O-N 2.84Å; G193-S196 PolarHBondContact O-N 3.14Å; G193-T197 PolarHBondContact N-O 3.25Å; G193-V219 PolarHBondContact O-N 3.38Å
194	D	77.3	Confident	65.3	Low	134 Å²	134	51 Å²	51	72%	0.717	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-9.1	168.7	-63.6	-18.5	0	0	0	112.3	S196	D194-S196 PolarHBondContact O-N 3.2Å
195	D	75.7	Confident	66.4	Low	74 Å²	74	52.6 Å²	52.6	40%	0.396	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	16.5	174.8	69.3	-4.5	0	0	0	113.4	G193 T197 R199	G193-D195 PolarHBondContact O-N 2.84Å; D195-T197 WeakPolarHBondContact O-CG2 3.37Å; D195-T197 PolarHBondContact O-N 3.4Å; D195-T197 WeakPolarHBondContact OD1-CB 3.32Å; D195-T197 PolarHBondContact OD1-N 3.21Å; D195-T197 VanDerWaalsContact OD1-N 3.09Å; D195-T197 PolarHBondContact OD1-OG1 3.04Å; D195-T197 PolarHBondContact OD2-OG1 3.29Å; D195-R199 IonicContact OD2-CZ 2.68Å; D195-R199 IonicContact OD2-NE 3.26Å; D195-R199 IonicContact OD2-NH2 3.91Å; D195-R199 PolarHBondContact OD2-NH2 3.44Å
196	S	80.6	Confident	67.3	Low	40 Å²	40	52 Å²	52	28%	0.28	27%	0.272	S	S	.	.	S	Bend	trans	55.9	24.2	-174.5	81.8	0	0	0	0	114.3	G193 D194 S217	G193-S196 PolarHBondContact O-N 3.14Å; D194-S196 PolarHBondContact O-N 3.2Å; S196-S217 WeakPolarHBondContact CA-O 3.25Å; S196-S217 VanDerWaalsContact CB-O 3.29Å; S196-S217 WeakPolarHBondContact CB-O 3.18Å
197	T	78.5	Confident	68.1	Low	1 Å²	1	51.8 Å²	51.8	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	150.5	176.1	75.5	0	0	0	0	111.9	G193 D195 V211 L212 R213	G193-T197 PolarHBondContact N-O 3.25Å; D195-T197 WeakPolarHBondContact O-CG2 3.37Å; D195-T197 PolarHBondContact O-N 3.4Å; D195-T197 WeakPolarHBondContact OD1-CB 3.32Å; D195-T197 PolarHBondContact OD1-N 3.21Å; D195-T197 VanDerWaalsContact OD1-N 3.09Å; D195-T197 PolarHBondContact OD1-OG1 3.04Å; D195-T197 PolarHBondContact OD2-OG1 3.29Å; T197-V211 HydrophobicContact CG2-CG1 3.9Å; T197-L212 WeakPolarHBondContact CA-O 3.26Å; T197-R213 HydrophobicContact CG2-CG 4.09Å
198	S	80	Confident	69	Low	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	137.9	161.1	-56.9	0	0	0	0	108.4	T191 L212	T191-S198 CarbonylContact O-C 3.56Å; T191-S198 VanDerWaalsContact O-CA 3.25Å; T191-S198 WeakPolarHBondContact O-CA 3.43Å; S198-L212 PolarHBondContact N-O 3.23Å; S198-L212 WeakPolarHBondContact O-CA 3.36Å; S198-L212 VanDerWaalsContact O-CB 3.28Å; S198-L212 WeakPolarHBondContact O-CB 3.33Å; S198-L212 PolarHBondContact O-N 3.3Å
199	R	73	Confident	69.8	Low	78 Å²	78	52.9 Å²	52.9	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.2	-179.5	-63.2	174	-176.5	-149.1	14.5	109.8	A190 T191 D195 W201 E208 R210 V211	A190-R199 CarbonylContact C-O 3.5Å; A190-R199 VanDerWaalsContact CA-O 3.28Å; A190-R199 WeakPolarHBondContact CA-O 3.18Å; T191-R199 PolarHBondContact N-O 3.07Å; T191-R199 PolarHBondContact O-N 3.24Å; D195-R199 IonicContact OD2-CZ 2.68Å; D195-R199 IonicContact OD2-NE 3.26Å; D195-R199 IonicContact OD2-NH2 3.91Å; D195-R199 PolarHBondContact OD2-NH2 3.44Å; R199-W201 HydrophobicContact CB-CZ2 4.27Å; R199-E208 VanDerWaalsContact CD-OE2 3.29Å; R199-E208 WeakPolarHBondContact CD-OE2 3.25Å; R199-E208 IonicContact CZ-OE2 3.91Å; R199-E208 IonicContact NE-OE2 3.45Å; R199-E208 IonicContact NH1-OE2 2.81Å; R199-E208 PolarHBondContact NH1-OE2 3.45Å; R199-R210 WeakPolarHBondContact CA-O 3.41Å; R199-V211 HydrophobicContact CG-CG1 4.5Å; R199-V211 HydrophobicContact CG-CG2 4.43Å
200	I	75.8	Confident	70.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.6	174.2	-51.6	-69.5	0	0	0	108.4	K188 F189 A190 E209 R210 L212 W224 F232 M246	K188-I200 HydrophobicContact CB-CG2 4.33Å; F189-I200 WeakPolarHBondContact O-CA 3.43Å; A190-I200 HydrophobicContact CB-CD1 3.5Å; I200-E209 PolarHBondContact O-N 3.43Å; I200-R210 HydrophobicContact CB-CB 4.31Å; I200-R210 HydrophobicContact CG1-CB 4.47Å; I200-R210 PolarHBondContact N-O 3.43Å; I200-R210 PolarHBondContact O-N 3.37Å; I200-L212 HydrophobicContact CD1-CD1 4.05Å; I200-L212 HydrophobicContact CG1-CD1 3.69Å; I200-L212 HydrophobicContact CG1-CG 4.43Å; I200-W224 HydrophobicContact CD1-CH2 4.03Å; I200-W224 HydrophobicContact CD1-CZ2 3.88Å; I200-F232 HydrophobicContact CD1-CD1 4.29Å; I200-F232 HydrophobicContact CD1-CE1 3.44Å; I200-F232 VanDerWaalsContact CD1-CE1 3.44Å; I200-F232 HydrophobicContact CD1-CZ 3.6Å; I200-F232 HydrophobicContact CG1-CE1 4.29Å; I200-F232 HydrophobicContact CG1-CZ 4.47Å; I200-M246 HydrophobicContact CB-CE 3.92Å; I200-M246 HydrophobicContact CB-SD 4.33Å; I200-M246 HydrophobicContact CD1-CE 4.49Å; I200-M246 HydrophobicContact CD1-SD 3.79Å; I200-M246 HydrophobicContact CG1-CE 3.83Å; I200-M246 HydrophobicContact CG1-SD 3.63Å; I200-M246 HydrophobicContact CG2-CE 3.48Å; I200-M246 VanDerWaalsContact CG2-CE 3.48Å; I200-M246 HydrophobicContact CG2-SD 4.06Å
201	W	67.8	Low	71.8	Confident	56 Å²	56	55.6 Å²	55.6	21%	0.212	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136	-176.3	-59.3	91.7	0	0	0	109	K188 F189 T191 R199 E208	K188-W201 WeakPolarHBondContact CA-O 3.3Å; F189-W201 HydrophobicContact CD1-CB 3.83Å; F189-W201 HydrophobicContact CD2-CB 4Å; F189-W201 AromaticContact CD2-CD1 3.72Å; F189-W201 HydrophobicContact CD2-CG 4.11Å; F189-W201 HydrophobicContact CE1-CB 3.37Å; F189-W201 HydrophobicContact CE1-CG 4.16Å; F189-W201 HydrophobicContact CE2-CB 3.57Å; F189-W201 AromaticContact CE2-CD1 3.3Å; F189-W201 HydrophobicContact CE2-CD2 4.37Å; F189-W201 AromaticContact CE2-CG 3.46Å; F189-W201 HydrophobicContact CE2-CG 3.46Å; F189-W201 VanDerWaalsContact CE2-CG 3.46Å; F189-W201 HydrophobicContact CG-CB 4.13Å; F189-W201 HydrophobicContact CZ-CB 3.22Å; F189-W201 AromaticContact CZ-CD1 3.86Å; F189-W201 HydrophobicContact CZ-CD2 4.29Å; F189-W201 AromaticContact CZ-CG 3.49Å; F189-W201 HydrophobicContact CZ-CG 3.49Å; F189-W201 VanDerWaalsContact CZ-CG 3.49Å; F189-W201 PolarHBondContact N-O 3.16Å; F189-W201 VanDerWaalsContact N-O 3.08Å; F189-W201 PolarHBondContact O-N 2.71Å; T191-W201 PolarHBondContact OG1-NE1 3.41Å; R199-W201 HydrophobicContact CB-CZ2 4.27Å; W201-E208 HydrophobicContact CE3-CB 3.94Å; W201-E208 HydrophobicContact CH2-CB 4.04Å; W201-E208 HydrophobicContact CH2-CG 4.42Å; W201-E208 HydrophobicContact CZ3-CB 3.64Å; W201-E208 HydrophobicContact CZ3-CG 4.42Å
202	D	63.1	Low	72.7	Confident	29 Å²	29	55 Å²	55	16%	0.155	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	113.5	168.7	174.5	12.9	0	0	0	109.1	K204 T205 L206 S207	D202-K204 VanDerWaalsContact C-N 3.26Å; D202-K204 PolarHBondContact O-N 3.33Å; D202-K204 WeakPolarHBondContact OD1-CB 3.38Å; D202-K204 PolarHBondContact OD1-N 2.92Å; D202-T205 WeakPolarHBondContact CB-OG1 3.18Å; D202-T205 VanDerWaalsContact CG-OG1 3.25Å; D202-T205 PolarHBondContact O-N 2.87Å; D202-T205 PolarHBondContact O-OG1 3.28Å; D202-T205 VanDerWaalsContact OD2-CG2 3.29Å; D202-T205 WeakPolarHBondContact OD2-CG2 3.41Å; D202-T205 PolarHBondContact OD2-OG1 3.03Å; D202-L206 WeakPolarHBondContact O-CA 3.47Å; D202-L206 PolarHBondContact O-N 3.41Å; D202-S207 PolarHBondContact N-O 2.88Å; D202-S207 PolarHBondContact O-N 2.99Å
203	F	56.1	Low	73.5	Confident	62 Å²	62	62.2 Å²	62.2	27%	0.272	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-24.7	179.1	-176.4	-83	0	0	0	112.3	L125 L187	L125-F203 HydrophobicContact CD1-CE2 4.37Å; L125-F203 HydrophobicContact CD1-CZ 3.87Å; L187-F203 HydrophobicContact CB-CB 4.05Å; L187-F203 HydrophobicContact CD1-CD1 4.21Å; L187-F203 HydrophobicContact CD2-CB 4.38Å; L187-F203 HydrophobicContact CD2-CD1 3.69Å; L187-F203 HydrophobicContact CD2-CE1 4.21Å; L187-F203 HydrophobicContact CD2-CG 4.2Å; L187-F203 HydrophobicContact CG-CD1 4.36Å; L187-F203 WeakPolarHBondContact O-CA 3.22Å; L187-F203 WeakPolarHBondContact O-CB 3.31Å; L187-F203 PolarHBondContact O-N 3.48Å
204	K	53.5	Low	74.3	Confident	152 Å²	152	62.9 Å²	62.9	66%	0.661	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-37.8	175.1	-68.9	179.9	179.9	171.3	0	112.1	L187 D202	L187-K204 HydrophobicContact CB-CG 3.95Å; L187-K204 HydrophobicContact CD1-CD 4.25Å; L187-K204 HydrophobicContact CD1-CG 3.52Å; L187-K204 HydrophobicContact CG-CG 4.39Å; D202-K204 VanDerWaalsContact C-N 3.26Å; D202-K204 PolarHBondContact O-N 3.33Å; D202-K204 WeakPolarHBondContact OD1-CB 3.38Å; D202-K204 PolarHBondContact OD1-N 2.92Å
205	T	63.5	Low	74.7	Confident	83 Å²	83	57 Å²	57	51%	0.509	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-7.8	-175.8	56.2	0	0	0	0	113.1	D202 S207	D202-T205 WeakPolarHBondContact CB-OG1 3.18Å; D202-T205 VanDerWaalsContact CG-OG1 3.25Å; D202-T205 PolarHBondContact O-N 2.87Å; D202-T205 PolarHBondContact O-OG1 3.28Å; D202-T205 VanDerWaalsContact OD2-CG2 3.29Å; D202-T205 WeakPolarHBondContact OD2-CG2 3.41Å; D202-T205 PolarHBondContact OD2-OG1 3.03Å; T205-S207 PolarHBondContact O-N 3.47Å; T205-S207 PolarHBondContact OG1-OG 3.29Å
206	L	58.7	Low	75.1	Confident	61 Å²	61	56.8 Å²	56.8	32%	0.319	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	36.7	-173.5	-61.4	176.2	0	0	0	112.4	M118 H122 D202	M118-L206 HydrophobicContact CB-CD1 4.09Å; M118-L206 HydrophobicContact CE-CB 4.2Å; M118-L206 HydrophobicContact CG-CD1 4.25Å; M118-L206 HydrophobicContact SD-CB 4.06Å; M118-L206 HydrophobicContact SD-CD1 3.94Å; H122-L206 WeakPolarHBondContact NE2-CD1 3.17Å; D202-L206 WeakPolarHBondContact O-CA 3.47Å; D202-L206 PolarHBondContact O-N 3.41Å
207	S	68.6	Low	75.4	Confident	52 Å²	52	56.6 Å²	56.6	36%	0.364	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.4	-174	71.8	0	0	0	0	111.6	D202 T205 E209	D202-S207 PolarHBondContact N-O 2.88Å; D202-S207 PolarHBondContact O-N 2.99Å; T205-S207 PolarHBondContact O-N 3.47Å; T205-S207 PolarHBondContact OG1-OG 3.29Å; S207-E209 PolarHBondContact O-N 2.99Å
208	E	78.3	Confident	75.3	Confident	75 Å²	75	58.9 Å²	58.9	35%	0.35	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	115.4	168.4	-172.6	-176.7	95.9	0	0	107.7	R199 W201 V211	R199-E208 VanDerWaalsContact CD-OE2 3.29Å; R199-E208 WeakPolarHBondContact CD-OE2 3.25Å; R199-E208 IonicContact CZ-OE2 3.91Å; R199-E208 IonicContact NE-OE2 3.45Å; R199-E208 IonicContact NH1-OE2 2.81Å; R199-E208 PolarHBondContact NH1-OE2 3.45Å; W201-E208 HydrophobicContact CE3-CB 3.94Å; W201-E208 HydrophobicContact CH2-CB 4.04Å; W201-E208 HydrophobicContact CH2-CG 4.42Å; W201-E208 HydrophobicContact CZ3-CB 3.64Å; W201-E208 HydrophobicContact CZ3-CG 4.42Å; E208-V211 VanDerWaalsContact CD-CG2 3.49Å; E208-V211 HydrophobicContact CG-CG2 4.33Å; E208-V211 WeakPolarHBondContact OE1-CG2 3.49Å
209	E	81	Confident	75.3	Confident	73 Å²	73	59.2 Å²	59.2	34%	0.341	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-42	178.4	-169	-173.2	159.5	0	0	110.6	K188 I200 S207	K188-E209 WeakPolarHBondContact CD-OE2 3.46Å; K188-E209 WeakPolarHBondContact CE-OE2 3.47Å; K188-E209 IonicContact NZ-OE1 2.75Å; K188-E209 PolarHBondContact NZ-OE1 3.43Å; K188-E209 IonicContact NZ-OE2 3.82Å; K188-E209 PolarHBondContact NZ-OE2 2.94Å; I200-E209 PolarHBondContact O-N 3.43Å; S207-E209 PolarHBondContact O-N 2.99Å
210	R	84.9	Confident	75.2	Confident	66 Å²	66	60 Å²	60	25%	0.249	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	144.4	-175.6	-66.6	-174.7	173.9	-151.2	-15.4	112.4	R199 I200 M246 S248 D249	R199-R210 WeakPolarHBondContact CA-O 3.41Å; I200-R210 HydrophobicContact CB-CB 4.31Å; I200-R210 HydrophobicContact CG1-CB 4.47Å; I200-R210 PolarHBondContact N-O 3.43Å; I200-R210 PolarHBondContact O-N 3.37Å; R210-M246 PolarHBondContact NH1-O 2.67Å; R210-S248 PolarHBondContact NH1-O 3.06Å; R210-D249 IonicContact CZ-OD1 2.91Å; R210-D249 IonicContact NH1-OD1 3.72Å; R210-D249 PolarHBondContact NH1-OD1 3.47Å; R210-D249 IonicContact NH2-OD1 3.74Å; R210-D249 PolarHBondContact NH2-OD1 3.5Å
211	V	86	Confident	75	Confident	49 Å²	49	60.4 Å²	60.4	30%	0.297	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.9	164.3	-174.1	0	0	0	0	108.5	T197 R199 E208 R213	T197-V211 HydrophobicContact CG2-CG1 3.9Å; R199-V211 HydrophobicContact CG-CG1 4.5Å; R199-V211 HydrophobicContact CG-CG2 4.43Å; E208-V211 VanDerWaalsContact CD-CG2 3.49Å; E208-V211 HydrophobicContact CG-CG2 4.33Å; E208-V211 WeakPolarHBondContact OE1-CG2 3.49Å; V211-R213 HydrophobicContact CG1-CG 4.22Å
212	L	85.9	Confident	75.2	Confident	18 Å²	18	59.1 Å²	59.1	9%	0.094	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	119.7	-177.6	-57.8	169.3	0	0	0	108.4	T197 S198 I200 F232 W244	T197-L212 WeakPolarHBondContact CA-O 3.26Å; S198-L212 PolarHBondContact N-O 3.23Å; S198-L212 WeakPolarHBondContact O-CA 3.36Å; S198-L212 VanDerWaalsContact O-CB 3.28Å; S198-L212 WeakPolarHBondContact O-CB 3.33Å; S198-L212 PolarHBondContact O-N 3.3Å; I200-L212 HydrophobicContact CD1-CD1 4.05Å; I200-L212 HydrophobicContact CG1-CD1 3.69Å; I200-L212 HydrophobicContact CG1-CG 4.43Å; L212-F232 HydrophobicContact CD1-CE1 3.77Å; L212-F232 HydrophobicContact CD1-CE2 4.45Å; L212-F232 HydrophobicContact CD1-CZ 3.3Å; L212-W244 HydrophobicContact CB-CD2 4.19Å; L212-W244 HydrophobicContact CB-CE3 3.99Å; L212-W244 HydrophobicContact CB-CH2 3.74Å; L212-W244 HydrophobicContact CB-CZ2 3.9Å; L212-W244 HydrophobicContact CB-CZ3 3.76Å; L212-W244 HydrophobicContact CD1-CD2 3.91Å; L212-W244 HydrophobicContact CD1-CE3 4.08Å; L212-W244 HydrophobicContact CD1-CG 4.13Å; L212-W244 HydrophobicContact CD2-CD2 4.48Å; L212-W244 HydrophobicContact CD2-CE3 3.82Å; L212-W244 HydrophobicContact CD2-CZ3 4Å; L212-W244 HydrophobicContact CG-CD2 4.43Å; L212-W244 HydrophobicContact CG-CE3 4.18Å; L212-W244 HydrophobicContact CG-CZ3 4.35Å
213	R	88.4	Confident	75.9	Confident	182 Å²	182	58 Å²	58	69%	0.687	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.9	-176.8	-59.9	-178.1	-178.9	-81.1	-3.5	108	T197 V211	T197-R213 HydrophobicContact CG2-CG 4.09Å; V211-R213 HydrophobicContact CG1-CG 4.22Å
214	G	84.2	Confident	76.6	Confident	36 Å²	36	55.2 Å²	55.2	37%	0.371	30%	0.296	S	S	.	.			trans	178.4	-35.6	-179.8	0	0	0	0	0	112.3
215	H	84.3	Confident	77.5	Confident	10 Å²	10	49.2 Å²	49.2	5%	0.046	27%	0.27	C	S	.	.			trans	-66.1	139.6	176.3	-75.7	-66.7	0	0	0	112.1	S217 V219 S234 G236 S240 I242	H215-S217 VanDerWaalsContact C-N 3.28Å; H215-S217 WeakPolarHBondContact CB-O 3.43Å; H215-V219 HydrophobicContact CB-CG2 4.09Å; H215-V219 WeakPolarHBondContact CD2-CG2 3.47Å; H215-S234 PolarHBondContact CD2-OG 2.87Å; H215-S234 PolarHBondContact CE1-O 3.1Å; H215-S234 VanDerWaalsContact NE2-CB 3.35Å; H215-S234 WeakPolarHBondContact NE2-CB 3.3Å; H215-S234 PolarHBondContact NE2-OG 3.32Å; H215-G236 PolarHBondContact CE1-N 3.07Å; H215-G236 VanDerWaalsContact CE1-N 3.26Å; H215-S240 PolarHBondContact ND1-OG 3.39Å; H215-I242 HydrophobicContact CB-CD1 4.31Å; H215-I242 VanDerWaalsContact N-CD1 3.31Å
216	G	84.6	Confident	77.6	Confident	69 Å²	69	48.5 Å²	48.5	71%	0.711	26%	0.262	S	S	*	.	S	Bend	trans	-82.5	-4.7	175	0	0	0	0	0	113.7	D238	G216-D238 WeakPolarHBondContact CA-OD2 3.42Å; G216-D238 PolarHBondContact N-OD2 2.69Å
217	S	86.4	Confident	77.9	Confident	37 Å²	37	49.1 Å²	49.1	26%	0.259	27%	0.272	S	S	.	.	S	Bend	trans	-155.9	-177.2	-178	-166.6	0	0	0	0	111.1	S196 H215 S237	S196-S217 WeakPolarHBondContact CA-O 3.25Å; S196-S217 VanDerWaalsContact CB-O 3.29Å; S196-S217 WeakPolarHBondContact CB-O 3.18Å; H215-S217 VanDerWaalsContact C-N 3.28Å; H215-S217 WeakPolarHBondContact CB-O 3.43Å; S217-S237 WeakPolarHBondContact OG-CB 3.38Å
218	D	77.9	Confident	77.9	Confident	48 Å²	48	52.4 Å²	52.4	26%	0.257	28%	0.28	S	S	.	.			trans	-53	135.3	-176	-38.1	-16.7	0	0	0	111.3	R220 G236 S237	D218-R220 IonicContact OD2-NH2 3.28Å; D218-G236 CarbonylContact O-C 3.48Å; D218-G236 WeakPolarHBondContact O-CA 3.31Å; D218-S237 PolarHBondContact O-N 3.25Å; D218-S237 PolarHBondContact O-OG 3.02Å
219	V	78.4	Confident	77.2	Confident	7 Å²	7	54.5 Å²	54.5	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	112	176.8	-173.1	0	0	0	0	108.9	G193 H215 V222	G193-V219 PolarHBondContact O-N 3.38Å; H215-V219 HydrophobicContact CB-CG2 4.09Å; H215-V219 WeakPolarHBondContact CD2-CG2 3.47Å; V219-V222 HydrophobicContact CG1-CG2 3.97Å
220	R	72.3	Confident	76.9	Confident	95 Å²	95	54.2 Å²	54.2	36%	0.358	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-18.6	-173.2	-73.7	-169.2	174.9	143.6	17.4	114.7	D218 G235 S237 T263 W264	D218-R220 IonicContact OD2-NH2 3.28Å; R220-G235 PolarHBondContact N-O 3.15Å; R220-S237 VanDerWaalsContact CD-OG 3.27Å; R220-S237 WeakPolarHBondContact CD-OG 3.46Å; R220-S237 WeakPolarHBondContact CG-OG 3.36Å; R220-S237 PolarHBondContact NE-OG 2.88Å; R220-S237 PolarHBondContact NH1-OG 3.04Å; R220-S237 PolarHBondContact NH2-OG 3.07Å; R220-T263 WeakPolarHBondContact CB-O 3.41Å; R220-W264 VanDerWaalsContact NH1-CZ2 3.31Å
221	A	70.7	Confident	76.8	Confident	9 Å²	9	51.9 Å²	51.9	7%	0.074	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	140.5	-178.6	0	0	0	0	0	110	S234 G235 L266	A221-S234 CarbonylContact O-C 3.49Å; A221-S234 VanDerWaalsContact O-CA 3.22Å; A221-S234 WeakPolarHBondContact O-CA 3.36Å; A221-G235 PolarHBondContact N-O 3.3Å; A221-G235 PolarHBondContact O-N 3.41Å; A221-L266 HydrophobicContact CB-CB 4.06Å; A221-L266 HydrophobicContact CB-CD1 3.7Å; A221-L266 HydrophobicContact CB-CG 3.82Å
222	V	71.7	Confident	76.6	Confident	29 Å²	29	49.5 Å²	49.5	18%	0.176	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	132.2	174	-174.9	0	0	0	0	108.2	A190 V219 F232 V233	A190-V222 HydrophobicContact CB-CG1 3.65Å; V219-V222 HydrophobicContact CG1-CG2 3.97Å; V222-F232 HydrophobicContact CG1-CD2 3.56Å; V222-F232 HydrophobicContact CG1-CE2 3.79Å; V222-V233 CarbonylContact C-O 3.51Å; V222-V233 VanDerWaalsContact CA-O 3.31Å; V222-V233 WeakPolarHBondContact CA-O 3.35Å
223	D	77.5	Confident	76.5	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.027	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144.9	173.5	-166.7	33	0	0	0	111.4	R181 F232 V233 L266 S267 L268	R181-D223 VanDerWaalsContact CD-OD1 3.32Å; R181-D223 WeakPolarHBondContact CD-OD1 3.3Å; R181-D223 IonicContact NH1-OD1 2.81Å; D223-F232 CarbonylContact O-C 3.47Å; D223-F232 VanDerWaalsContact O-CA 3.26Å; D223-F232 WeakPolarHBondContact O-CA 3.47Å; D223-F232 VanDerWaalsContact O-CB 3.22Å; D223-F232 WeakPolarHBondContact O-CB 3.39Å; D223-V233 PolarHBondContact N-O 2.87Å; D223-V233 PolarHBondContact O-N 3.03Å; D223-L266 HydrophobicContact CB-CB 4.49Å; D223-S267 WeakPolarHBondContact OD2-CA 3.49Å; D223-L268 WeakPolarHBondContact O-CD1 3.49Å; D223-L268 PolarHBondContact OD2-N 3.1Å
224	W	71	Confident	76.2	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	144	-179.8	-71.5	85.3	0	0	0	111	A183 A190 I200 F232 M246	A183-W224 HydrophobicContact CB-CD2 3.48Å; A183-W224 VanDerWaalsContact CB-CD2 3.48Å; A183-W224 HydrophobicContact CB-CE3 3.51Å; A183-W224 HydrophobicContact CB-CG 4.11Å; A183-W224 HydrophobicContact CB-CH2 3.9Å; A183-W224 HydrophobicContact CB-CZ2 3.85Å; A183-W224 HydrophobicContact CB-CZ3 3.74Å; A190-W224 HydrophobicContact CB-CZ2 3.66Å; I200-W224 HydrophobicContact CD1-CH2 4.03Å; I200-W224 HydrophobicContact CD1-CZ2 3.88Å; W224-F232 HydrophobicContact CB-CB 4.34Å; W224-F232 HydrophobicContact CD2-CB 3.6Å; W224-F232 HydrophobicContact CD2-CD1 4.45Å; W224-F232 HydrophobicContact CD2-CG 4.23Å; W224-F232 HydrophobicContact CE3-CB 3.62Å; W224-F232 HydrophobicContact CE3-CD1 4.14Å; W224-F232 HydrophobicContact CE3-CG 4.24Å; W224-F232 HydrophobicContact CG-CB 3.94Å; W224-F232 AromaticContact CH2-CD1 3.75Å; W224-F232 HydrophobicContact CH2-CD1 3.75Å; W224-F232 HydrophobicContact CH2-CE1 4.27Å; W224-F232 HydrophobicContact CH2-CG 4.42Å; W224-F232 HydrophobicContact CZ2-CD1 4.1Å; W224-F232 HydrophobicContact CZ2-CG 4.43Å; W224-F232 HydrophobicContact CZ3-CB 4.15Å; W224-F232 AromaticContact CZ3-CD1 3.76Å; W224-F232 HydrophobicContact CZ3-CD1 3.76Å; W224-F232 HydrophobicContact CZ3-CG 4.32Å; W224-M246 HydrophobicContact CH2-CG 3.92Å; W224-M246 HydrophobicContact CH2-SD 3.98Å; W224-M246 HydrophobicContact CZ3-CG 3.93Å
225	H	73.9	Confident	76.1	Confident	25 Å²	25	38.5 Å²	38.5	12%	0.116	21%	0.212	C	C	.	.			trans	-75	126.6	168.9	-159.5	-52.6	0	0	0	108.2	S227 K228 V231 L268 E269	H225-S227 PolarHBondContact CE1-OG 3.13Å; H225-S227 PolarHBondContact ND1-OG 3.08Å; H225-K228 HydrophobicContact CB-CB 4.1Å; H225-K228 PolarHBondContact ND1-N 2.87Å; H225-V231 HydrophobicContact CB-CB 3.99Å; H225-V231 HydrophobicContact CB-CG1 4.24Å; H225-V231 VanDerWaalsContact CB-O 3.31Å; H225-V231 WeakPolarHBondContact CB-O 3.43Å; H225-V231 PolarHBondContact N-O 2.9Å; H225-L268 HydrophobicContact CB-CD1 4.44Å; H225-E269 IonicContact CE1-OE1 2.75Å; H225-E269 PolarHBondContact CE1-OE1 3.47Å; H225-E269 IonicContact CE1-OE2 3.85Å; H225-E269 PolarHBondContact CE1-OE2 3.48Å; H225-E269 VanDerWaalsContact CE1-OE2 3.28Å; H225-E269 IonicContact CG-OE2 3Å; H225-E269 IonicContact ND1-OE1 3.45Å; H225-E269 PolarHBondContact ND1-OE1 2.95Å; H225-E269 IonicContact ND1-OE2 3.99Å; H225-E269 PolarHBondContact ND1-OE2 3.15Å; H225-E269 IonicContact NE2-OE1 3.46Å
226	L	64.5	Low	75.9	Confident	68 Å²	68	38 Å²	38	36%	0.356	21%	0.21	S	C	.	.	S	Bend	trans	-81	-36.8	-171.8	-63.7	177.4	0	0	0	112.4	P184 E269 H271	P184-L226 HydrophobicContact CG-CD2 4.08Å; L226-E269 WeakPolarHBondContact CA-OE2 3.42Å; L226-E269 PolarHBondContact N-OE2 3.49Å; L226-H271 VanDerWaalsContact CD1-CD2 3.43Å; L226-H271 WeakPolarHBondContact CD1-CD2 3.36Å
227	S	65.7	Low	75.8	Confident	75 Å²	75	35.7 Å²	35.7	52%	0.524	18%	0.183	S	C	.	.	S	Bend	trans	-85.6	-28.2	177.9	66.7	0	0	0	0	113.9	H225 E269	H225-S227 PolarHBondContact CE1-OG 3.13Å; H225-S227 PolarHBondContact ND1-OG 3.08Å; S227-E269 PolarHBondContact N-OE2 3.3Å; S227-E269 PolarHBondContact OG-OE1 2.96Å; S227-E269 PolarHBondContact OG-OE2 3.45Å; S227-E269 VanDerWaalsContact OG-OE2 3.13Å
228	K	68.4	Low	75.7	Confident	121 Å²	121	37 Å²	37	53%	0.526	19%	0.187	S	C	.	.	S	Bend	trans	-99.3	88.5	173	-66.8	-175.9	-176.2	175.7	0	109.2	H225 K230 V231	H225-K228 HydrophobicContact CB-CB 4.1Å; H225-K228 PolarHBondContact ND1-N 2.87Å; K228-K230 PolarHBondContact O-N 3.48Å; K228-V231 HydrophobicContact CB-CB 4.04Å; K228-V231 HydrophobicContact CB-CG2 3.96Å; K228-V231 HydrophobicContact CD-CG2 4.34Å; K228-V231 PolarHBondContact O-N 3.39Å; K228-V231 VanDerWaalsContact O-N 3.09Å
229	E	63.5	Low	75.9	Confident	118 Å²	118	34.8 Å²	34.8	55%	0.551	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-42.3	128.3	162.7	-58.2	-177.7	168.8	0	0	108.3	C185	C185-E229 HydrophobicContact CB-CG 4.16Å; C185-E229 WeakPolarHBondContact CB-OE1 3.39Å; C185-E229 VanDerWaalsContact SG-CB 3.51Å; C185-E229 WeakPolarHBondContact SG-CG 3.5Å; C185-E229 PolarHBondContact SG-OE1 3.1Å; C185-E229 PolarHBondContact SG-OE2 3.29Å; C185-E229 VanDerWaalsContact SG-OE2 3.33Å
230	K	75.5	Confident	76.3	Confident	67 Å²	67	34.7 Å²	34.7	29%	0.291	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	2	178.5	-59.2	175.3	-171.8	178.5	0	117.8	D186 K228 D245 M246 L247	D186-K230 WeakPolarHBondContact OD2-CE 3.38Å; K228-K230 PolarHBondContact O-N 3.48Å; K230-D245 CarbonylContact O-C 3.56Å; K230-D245 WeakPolarHBondContact O-CA 3.37Å; K230-M246 HydrophobicContact CB-CB 3.77Å; K230-M246 HydrophobicContact CB-CG 4.17Å; K230-M246 HydrophobicContact CG-CB 4.08Å; K230-M246 WeakPolarHBondContact O-CG 3.43Å; K230-M246 PolarHBondContact O-N 2.93Å; K230-L247 HydrophobicContact CD-CD1 4.32Å; K230-L247 HydrophobicContact CD-CD2 3.57Å; K230-L247 HydrophobicContact CD-CG 3.77Å
231	V	81.8	Confident	77.1	Confident	17 Å²	17	31 Å²	31	10%	0.103	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138	173.3	179.9	0	0	0	0	110.6	H225 K228 W244 L252	H225-V231 HydrophobicContact CB-CB 3.99Å; H225-V231 HydrophobicContact CB-CG1 4.24Å; H225-V231 VanDerWaalsContact CB-O 3.31Å; H225-V231 WeakPolarHBondContact CB-O 3.43Å; H225-V231 PolarHBondContact N-O 2.9Å; K228-V231 HydrophobicContact CB-CB 4.04Å; K228-V231 HydrophobicContact CB-CG2 3.96Å; K228-V231 HydrophobicContact CD-CG2 4.34Å; K228-V231 PolarHBondContact O-N 3.39Å; K228-V231 VanDerWaalsContact O-N 3.09Å; V231-W244 WeakPolarHBondContact CA-O 3.49Å; V231-L252 HydrophobicContact CG1-CD1 4.46Å
232	F	81.6	Confident	77.8	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	164	173.3	78.6	-92.2	0	0	0	110.8	A190 I200 L212 V222 D223 W224 W244 M246	A190-F232 HydrophobicContact CB-CD2 4.45Å; A190-F232 HydrophobicContact CB-CE2 4.2Å; A190-F232 HydrophobicContact CB-CZ 4.36Å; I200-F232 HydrophobicContact CD1-CD1 4.29Å; I200-F232 HydrophobicContact CD1-CE1 3.44Å; I200-F232 VanDerWaalsContact CD1-CE1 3.44Å; I200-F232 HydrophobicContact CD1-CZ 3.6Å; I200-F232 HydrophobicContact CG1-CE1 4.29Å; I200-F232 HydrophobicContact CG1-CZ 4.47Å; L212-F232 HydrophobicContact CD1-CE1 3.77Å; L212-F232 HydrophobicContact CD1-CE2 4.45Å; L212-F232 HydrophobicContact CD1-CZ 3.3Å; V222-F232 HydrophobicContact CG1-CD2 3.56Å; V222-F232 HydrophobicContact CG1-CE2 3.79Å; D223-F232 CarbonylContact O-C 3.47Å; D223-F232 VanDerWaalsContact O-CA 3.26Å; D223-F232 WeakPolarHBondContact O-CA 3.47Å; D223-F232 VanDerWaalsContact O-CB 3.22Å; D223-F232 WeakPolarHBondContact O-CB 3.39Å; W224-F232 HydrophobicContact CB-CB 4.34Å; W224-F232 HydrophobicContact CD2-CB 3.6Å; W224-F232 HydrophobicContact CD2-CD1 4.45Å; W224-F232 HydrophobicContact CD2-CG 4.23Å; W224-F232 HydrophobicContact CE3-CB 3.62Å; W224-F232 HydrophobicContact CE3-CD1 4.14Å; W224-F232 HydrophobicContact CE3-CG 4.24Å; W224-F232 HydrophobicContact CG-CB 3.94Å; W224-F232 AromaticContact CH2-CD1 3.75Å; W224-F232 HydrophobicContact CH2-CD1 3.75Å; W224-F232 HydrophobicContact CH2-CE1 4.27Å; W224-F232 HydrophobicContact CH2-CG 4.42Å; W224-F232 HydrophobicContact CZ2-CD1 4.1Å; W224-F232 HydrophobicContact CZ2-CG 4.43Å; W224-F232 HydrophobicContact CZ3-CB 4.15Å; W224-F232 AromaticContact CZ3-CD1 3.76Å; W224-F232 HydrophobicContact CZ3-CD1 3.76Å; W224-F232 HydrophobicContact CZ3-CG 4.32Å; F232-W244 HydrophobicContact CD1-CB 3.64Å; F232-W244 HydrophobicContact CD1-CG 4.4Å; F232-W244 HydrophobicContact CD2-CB 4.29Å; F232-W244 AromaticContact CD2-CD1 3.7Å; F232-W244 HydrophobicContact CD2-CG 4.32Å; F232-W244 HydrophobicContact CE1-CB 3.28Å; F232-W244 AromaticContact CE1-CG 3.78Å; F232-W244 HydrophobicContact CE1-CG 3.78Å; F232-W244 HydrophobicContact CE2-CB 4Å; F232-W244 AromaticContact CE2-CD1 3.12Å; F232-W244 AromaticContact CE2-CG 3.72Å; F232-W244 HydrophobicContact CE2-CG 3.72Å; F232-W244 AromaticContact CE2-NE1 3.83Å; F232-W244 HydrophobicContact CG-CB 4.13Å; F232-W244 HydrophobicContact CZ-CB 3.49Å; F232-W244 VanDerWaalsContact CZ-CB 3.49Å; F232-W244 AromaticContact CZ-CD1 3.32Å; F232-W244 HydrophobicContact CZ-CD2 4.29Å; F232-W244 AromaticContact CZ-CG 3.4Å; F232-W244 HydrophobicContact CZ-CG 3.4Å; F232-W244 VanDerWaalsContact CZ-CG 3.4Å; F232-W244 PolarHBondContact N-O 3.22Å; F232-W244 PolarHBondContact O-N 2.97Å; F232-M246 HydrophobicContact CD1-SD 4.39Å; F232-M246 HydrophobicContact CE1-SD 3.93Å
233	V	84.2	Confident	78.7	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.024	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.5	177.3	172.5	0	0	0	0	109.2	V222 D223 L241 I242 Y243 L266 L268	V222-V233 CarbonylContact C-O 3.51Å; V222-V233 VanDerWaalsContact CA-O 3.31Å; V222-V233 WeakPolarHBondContact CA-O 3.35Å; D223-V233 PolarHBondContact N-O 2.87Å; D223-V233 PolarHBondContact O-N 3.03Å; V233-L241 HydrophobicContact CG1-CB 4.35Å; V233-I242 CarbonylContact C-O 3.58Å; V233-I242 VanDerWaalsContact CA-O 3.25Å; V233-I242 WeakPolarHBondContact CA-O 3.4Å; V233-Y243 HydrophobicContact CG2-CD1 3.25Å; V233-Y243 HydrophobicContact CG2-CD2 3.81Å; V233-Y243 HydrophobicContact CG2-CE1 3.24Å; V233-Y243 HydrophobicContact CG2-CE2 3.77Å; V233-Y243 HydrophobicContact CG2-CG 3.55Å; V233-Y243 VanDerWaalsContact CG2-CZ 3.49Å; V233-L266 HydrophobicContact CG1-CD1 3.98Å; V233-L268 HydrophobicContact CB-CD1 3.5Å; V233-L268 VanDerWaalsContact CB-CD1 3.5Å; V233-L268 HydrophobicContact CB-CG 4.02Å; V233-L268 HydrophobicContact CG2-CD1 3.37Å; V233-L268 HydrophobicContact CG2-CD2 3.87Å; V233-L268 HydrophobicContact CG2-CG 3.7Å; V233-L268 VanDerWaalsContact N-CD1 3.29Å
234	S	81.9	Confident	79.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	150.2	168.7	61.3	0	0	0	0	111.4	H215 A221 L241 I242 W244	H215-S234 PolarHBondContact CD2-OG 2.87Å; H215-S234 PolarHBondContact CE1-O 3.1Å; H215-S234 VanDerWaalsContact NE2-CB 3.35Å; H215-S234 WeakPolarHBondContact NE2-CB 3.3Å; H215-S234 PolarHBondContact NE2-OG 3.32Å; A221-S234 CarbonylContact O-C 3.49Å; A221-S234 VanDerWaalsContact O-CA 3.22Å; A221-S234 WeakPolarHBondContact O-CA 3.36Å; S234-L241 WeakPolarHBondContact O-CA 3.28Å; S234-I242 PolarHBondContact N-O 3.35Å; S234-I242 PolarHBondContact O-N 3.29Å; S234-W244 PolarHBondContact OG-NE1 3.08Å
235	G	81.6	Confident	79.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.9	-179.4	0	0	0	0	0	111	R220 A221 L266	R220-G235 PolarHBondContact N-O 3.15Å; A221-G235 PolarHBondContact N-O 3.3Å; A221-G235 PolarHBondContact O-N 3.41Å; G235-L266 VanDerWaalsContact CA-CD1 3.46Å
236	G	79.9	Confident	80	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	160.3	-180	0	0	0	0	0	113	H215 D218 D238 G239 S240 T263	H215-G236 PolarHBondContact CE1-N 3.07Å; H215-G236 VanDerWaalsContact CE1-N 3.26Å; D218-G236 CarbonylContact O-C 3.48Å; D218-G236 WeakPolarHBondContact O-CA 3.31Å; G236-D238 WeakPolarHBondContact CA-OD1 3.35Å; G236-D238 PolarHBondContact O-N 3.22Å; G236-G239 PolarHBondContact O-N 3.34Å; G236-G239 VanDerWaalsContact O-N 3.11Å; G236-S240 PolarHBondContact N-O 3.07Å; G236-T263 PolarHBondContact O-N 2.73Å; G236-T263 VanDerWaalsContact O-N 3.09Å
237	S	83.3	Confident	80.8	Confident	20 Å²	20	37 Å²	37	14%	0.14	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.4	170.8	-63.4	0	0	0	0	113.3	S217 D218 R220 G239 A262	S217-S237 WeakPolarHBondContact OG-CB 3.38Å; D218-S237 PolarHBondContact O-N 3.25Å; D218-S237 PolarHBondContact O-OG 3.02Å; R220-S237 VanDerWaalsContact CD-OG 3.27Å; R220-S237 WeakPolarHBondContact CD-OG 3.46Å; R220-S237 WeakPolarHBondContact CG-OG 3.36Å; R220-S237 PolarHBondContact NE-OG 2.88Å; R220-S237 PolarHBondContact NH1-OG 3.04Å; R220-S237 PolarHBondContact NH2-OG 3.07Å; S237-G239 PolarHBondContact O-N 3.02Å; S237-A262 VanDerWaalsContact O-CA 3.3Å; S237-A262 WeakPolarHBondContact O-CA 3.27Å; S237-A262 WeakPolarHBondContact O-CB 3.43Å
238	D	83.5	Confident	81.4	Confident	66 Å²	66	35.1 Å²	35.1	35%	0.353	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-1.4	170.6	58	5.8	0	0	0	113.1	G216 G236 S240	G216-D238 WeakPolarHBondContact CA-OD2 3.42Å; G216-D238 PolarHBondContact N-OD2 2.69Å; G236-D238 WeakPolarHBondContact CA-OD1 3.35Å; G236-D238 PolarHBondContact O-N 3.22Å; D238-S240 PolarHBondContact O-N 3.37Å; D238-S240 VanDerWaalsContact OD1-CB 3.23Å; D238-S240 WeakPolarHBondContact OD1-CB 3.46Å; D238-S240 PolarHBondContact OD1-N 3.37Å; D238-S240 PolarHBondContact OD1-OG 2.7Å; D238-S240 PolarHBondContact OD2-OG 3.12Å
239	G	82.5	Confident	81.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	74.9	10.9	-176.1	0	0	0	0	0	113.6	G236 S237 A258 H259 Q261	G236-G239 PolarHBondContact O-N 3.34Å; G236-G239 VanDerWaalsContact O-N 3.11Å; S237-G239 PolarHBondContact O-N 3.02Å; G239-A258 WeakPolarHBondContact O-CB 3.49Å; G239-A258 PolarHBondContact O-N 3.26Å; G239-H259 PolarHBondContact O-N 3.42Å; G239-Q261 VanDerWaalsContact CA-O 3.25Å; G239-Q261 WeakPolarHBondContact CA-O 3.47Å
240	S	86.9	Confident	82.2	Confident	5 Å²	5	36.6 Å²	36.6	4%	0.035	19%	0.186	C	C	.	.			trans	-79.7	145.9	172	69.2	0	0	0	0	111.3	H215 G236 D238 I255	H215-S240 PolarHBondContact ND1-OG 3.39Å; G236-S240 PolarHBondContact N-O 3.07Å; D238-S240 PolarHBondContact O-N 3.37Å; D238-S240 VanDerWaalsContact OD1-CB 3.23Å; D238-S240 WeakPolarHBondContact OD1-CB 3.46Å; D238-S240 PolarHBondContact OD1-N 3.37Å; D238-S240 PolarHBondContact OD1-OG 2.7Å; D238-S240 PolarHBondContact OD2-OG 3.12Å; S240-I255 WeakPolarHBondContact CA-O 3.47Å
241	L	88.7	Confident	82.5	Confident	19 Å²	19	36.5 Å²	36.5	10%	0.099	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.6	169.3	-57.2	179.1	0	0	0	108.9	V233 S234 I255 A258 T263 L266	V233-L241 HydrophobicContact CG1-CB 4.35Å; S234-L241 WeakPolarHBondContact O-CA 3.28Å; L241-I255 HydrophobicContact CB-CB 4.32Å; L241-I255 PolarHBondContact N-O 3.39Å; L241-I255 VanDerWaalsContact N-O 3.16Å; L241-I255 PolarHBondContact O-N 3.45Å; L241-A258 HydrophobicContact CB-CB 4.37Å; L241-A258 HydrophobicContact CD1-CB 3.73Å; L241-A258 HydrophobicContact CG-CB 3.65Å; L241-T263 HydrophobicContact CD2-CG2 3.73Å; L241-L266 HydrophobicContact CD1-CD2 4.26Å; L241-L266 HydrophobicContact CD2-CD1 3.89Å; L241-L266 HydrophobicContact CD2-CD2 3.56Å; L241-L266 HydrophobicContact CD2-CG 4.24Å
242	I	87.1	Confident	82.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.6	177.1	-56.7	177.3	0	0	0	109.1	H215 V233 S234 W244 E251 L254	H215-I242 HydrophobicContact CB-CD1 4.31Å; H215-I242 VanDerWaalsContact N-CD1 3.31Å; V233-I242 CarbonylContact C-O 3.58Å; V233-I242 VanDerWaalsContact CA-O 3.25Å; V233-I242 WeakPolarHBondContact CA-O 3.4Å; S234-I242 PolarHBondContact N-O 3.35Å; S234-I242 PolarHBondContact O-N 3.29Å; I242-W244 HydrophobicContact CB-CZ2 3.94Å; I242-W244 HydrophobicContact CD1-CH2 4.43Å; I242-W244 HydrophobicContact CD1-CZ2 3.91Å; I242-W244 HydrophobicContact CG2-CD2 3.86Å; I242-W244 HydrophobicContact CG2-CE3 4.29Å; I242-W244 HydrophobicContact CG2-CG 4.43Å; I242-W244 HydrophobicContact CG2-CH2 3.87Å; I242-W244 HydrophobicContact CG2-CZ2 3.41Å; I242-W244 VanDerWaalsContact CG2-CZ2 3.41Å; I242-W244 HydrophobicContact CG2-CZ3 4.29Å; I242-E251 HydrophobicContact CG2-CB 3.49Å; I242-E251 VanDerWaalsContact CG2-CB 3.49Å; I242-E251 HydrophobicContact CG2-CG 4.41Å; I242-E251 WeakPolarHBondContact CG2-OE2 3.42Å; I242-L254 HydrophobicContact CD1-CD1 3.96Å; I242-L254 HydrophobicContact CG1-CD1 3.53Å
243	Y	89.4	Confident	82.8	Confident	81 Å²	81	43.1 Å²	43.1	32%	0.318	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127.1	169.9	-76.1	-105.7	0	0	0	108.9	V233 L252 T253 I255 L268	V233-Y243 HydrophobicContact CG2-CD1 3.25Å; V233-Y243 HydrophobicContact CG2-CD2 3.81Å; V233-Y243 HydrophobicContact CG2-CE1 3.24Å; V233-Y243 HydrophobicContact CG2-CE2 3.77Å; V233-Y243 HydrophobicContact CG2-CG 3.55Å; V233-Y243 VanDerWaalsContact CG2-CZ 3.49Å; Y243-L252 WeakPolarHBondContact O-CB 3.48Å; Y243-L252 PolarHBondContact O-N 3.36Å; Y243-T253 PolarHBondContact N-O 3.24Å; Y243-I255 HydrophobicContact CD2-CD1 4.33Å; Y243-I255 HydrophobicContact CE2-CD1 3.76Å; Y243-L268 HydrophobicContact CE1-CD2 3.93Å
244	W	86.3	Confident	82.9	Confident	8 Å²	8	45.6 Å²	45.6	3%	0.03	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.9	178.2	-57.9	99.2	0	0	0	110.4	L212 V231 F232 S234 I242 E251	L212-W244 HydrophobicContact CB-CD2 4.19Å; L212-W244 HydrophobicContact CB-CE3 3.99Å; L212-W244 HydrophobicContact CB-CH2 3.74Å; L212-W244 HydrophobicContact CB-CZ2 3.9Å; L212-W244 HydrophobicContact CB-CZ3 3.76Å; L212-W244 HydrophobicContact CD1-CD2 3.91Å; L212-W244 HydrophobicContact CD1-CE3 4.08Å; L212-W244 HydrophobicContact CD1-CG 4.13Å; L212-W244 HydrophobicContact CD2-CD2 4.48Å; L212-W244 HydrophobicContact CD2-CE3 3.82Å; L212-W244 HydrophobicContact CD2-CZ3 4Å; L212-W244 HydrophobicContact CG-CD2 4.43Å; L212-W244 HydrophobicContact CG-CE3 4.18Å; L212-W244 HydrophobicContact CG-CZ3 4.35Å; V231-W244 WeakPolarHBondContact CA-O 3.49Å; F232-W244 HydrophobicContact CD1-CB 3.64Å; F232-W244 HydrophobicContact CD1-CG 4.4Å; F232-W244 HydrophobicContact CD2-CB 4.29Å; F232-W244 AromaticContact CD2-CD1 3.7Å; F232-W244 HydrophobicContact CD2-CG 4.32Å; F232-W244 HydrophobicContact CE1-CB 3.28Å; F232-W244 AromaticContact CE1-CG 3.78Å; F232-W244 HydrophobicContact CE1-CG 3.78Å; F232-W244 HydrophobicContact CE2-CB 4Å; F232-W244 AromaticContact CE2-CD1 3.12Å; F232-W244 AromaticContact CE2-CG 3.72Å; F232-W244 HydrophobicContact CE2-CG 3.72Å; F232-W244 AromaticContact CE2-NE1 3.83Å; F232-W244 HydrophobicContact CG-CB 4.13Å; F232-W244 HydrophobicContact CZ-CB 3.49Å; F232-W244 VanDerWaalsContact CZ-CB 3.49Å; F232-W244 AromaticContact CZ-CD1 3.32Å; F232-W244 HydrophobicContact CZ-CD2 4.29Å; F232-W244 AromaticContact CZ-CG 3.4Å; F232-W244 HydrophobicContact CZ-CG 3.4Å; F232-W244 VanDerWaalsContact CZ-CG 3.4Å; F232-W244 PolarHBondContact N-O 3.22Å; F232-W244 PolarHBondContact O-N 2.97Å; S234-W244 PolarHBondContact OG-NE1 3.08Å; I242-W244 HydrophobicContact CB-CZ2 3.94Å; I242-W244 HydrophobicContact CD1-CH2 4.43Å; I242-W244 HydrophobicContact CD1-CZ2 3.91Å; I242-W244 HydrophobicContact CG2-CD2 3.86Å; I242-W244 HydrophobicContact CG2-CE3 4.29Å; I242-W244 HydrophobicContact CG2-CG 4.43Å; I242-W244 HydrophobicContact CG2-CH2 3.87Å; I242-W244 HydrophobicContact CG2-CZ2 3.41Å; I242-W244 VanDerWaalsContact CG2-CZ2 3.41Å; I242-W244 HydrophobicContact CG2-CZ3 4.29Å; W244-E251 HydrophobicContact CE3-CB 3.95Å; W244-E251 HydrophobicContact CH2-CB 4.14Å; W244-E251 HydrophobicContact CZ3-CB 3.67Å
245	D	86	Confident	83.2	Confident	37 Å²	37	48.7 Å²	48.7	20%	0.198	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.7	167.4	-178.8	-5	0	0	0	108.3	K230 L247 S248 L252	K230-D245 CarbonylContact O-C 3.56Å; K230-D245 WeakPolarHBondContact O-CA 3.37Å; D245-L247 PolarHBondContact O-N 3.09Å; D245-L247 WeakPolarHBondContact OD1-CB 3.44Å; D245-L247 PolarHBondContact OD1-N 3.43Å; D245-S248 PolarHBondContact O-N 3.24Å; D245-L252 HydrophobicContact CB-CD1 3.66Å; D245-L252 HydrophobicContact CB-CD2 3.62Å; D245-L252 HydrophobicContact CB-CG 3.51Å
246	M	78.7	Confident	83.3	Confident	14 Å²	14	56.2 Å²	56.2	7%	0.069	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.7	178.6	-60.3	-63.3	-54.1	0	0	113.2	I200 R210 W224 K230 F232	I200-M246 HydrophobicContact CB-CE 3.92Å; I200-M246 HydrophobicContact CB-SD 4.33Å; I200-M246 HydrophobicContact CD1-CE 4.49Å; I200-M246 HydrophobicContact CD1-SD 3.79Å; I200-M246 HydrophobicContact CG1-CE 3.83Å; I200-M246 HydrophobicContact CG1-SD 3.63Å; I200-M246 HydrophobicContact CG2-CE 3.48Å; I200-M246 VanDerWaalsContact CG2-CE 3.48Å; I200-M246 HydrophobicContact CG2-SD 4.06Å; R210-M246 PolarHBondContact NH1-O 2.67Å; W224-M246 HydrophobicContact CH2-CG 3.92Å; W224-M246 HydrophobicContact CH2-SD 3.98Å; W224-M246 HydrophobicContact CZ3-CG 3.93Å; K230-M246 HydrophobicContact CB-CB 3.77Å; K230-M246 HydrophobicContact CB-CG 4.17Å; K230-M246 HydrophobicContact CG-CB 4.08Å; K230-M246 WeakPolarHBondContact O-CG 3.43Å; K230-M246 PolarHBondContact O-N 2.93Å; F232-M246 HydrophobicContact CD1-SD 4.39Å; F232-M246 HydrophobicContact CE1-SD 3.93Å
247	L	80.5	Confident	83.2	Confident	125 Å²	125	59.2 Å²	59.2	65%	0.654	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-19.2	173.6	-60.5	177.7	0	0	0	112.7	K230 D245	K230-L247 HydrophobicContact CD-CD1 4.32Å; K230-L247 HydrophobicContact CD-CD2 3.57Å; K230-L247 HydrophobicContact CD-CG 3.77Å; D245-L247 PolarHBondContact O-N 3.09Å; D245-L247 WeakPolarHBondContact OD1-CB 3.44Å; D245-L247 PolarHBondContact OD1-N 3.43Å
248	S	79.2	Confident	83.1	Confident	36 Å²	36	60 Å²	60	25%	0.252	33%	0.326	S	S	.	.	S	Bend	trans	-97.7	145.8	178.5	-178.1	0	0	0	0	110.2	R210 D245 H250	R210-S248 PolarHBondContact NH1-O 3.06Å; D245-S248 PolarHBondContact O-N 3.24Å; S248-H250 WeakPolarHBondContact CB-O 3.35Å; S248-H250 PolarHBondContact OG-N 2.95Å; S248-H250 VanDerWaalsContact OG-N 3.15Å; S248-H250 PolarHBondContact OG-O 3.27Å
249	D	73	Confident	82.8	Confident	125 Å²	125	61.5 Å²	61.5	67%	0.668	33%	0.331	S	S	*	.	S	Bend	trans	-85.1	-0.1	170.8	-67.7	-24.8	0	0	0	112.2	R210	R210-D249 IonicContact CZ-OD1 2.91Å; R210-D249 IonicContact NH1-OD1 3.72Å; R210-D249 PolarHBondContact NH1-OD1 3.47Å; R210-D249 IonicContact NH2-OD1 3.74Å; R210-D249 PolarHBondContact NH2-OD1 3.5Å
250	H	75.3	Confident	82.5	Confident	144 Å²	144	71.1 Å²	71.1	67%	0.667	38%	0.376	S	S	*	.	S	Bend	trans	-128.6	153.2	-178.6	-56.8	-46.7	0	0	0	110.8	S248 L252	S248-H250 WeakPolarHBondContact CB-O 3.35Å; S248-H250 PolarHBondContact OG-N 2.95Å; S248-H250 VanDerWaalsContact OG-N 3.15Å; S248-H250 PolarHBondContact OG-O 3.27Å; H250-L252 PolarHBondContact O-N 3.01Å
251	E	82	Confident	82.1	Confident	65 Å²	65	78 Å²	78	30%	0.304	41%	0.407	S	S	.	.			trans	-51.3	136.9	166.6	57.3	-174	-157.3	0	0	110.3	I242 W244 L254	I242-E251 HydrophobicContact CG2-CB 3.49Å; I242-E251 VanDerWaalsContact CG2-CB 3.49Å; I242-E251 HydrophobicContact CG2-CG 4.41Å; I242-E251 WeakPolarHBondContact CG2-OE2 3.42Å; W244-E251 HydrophobicContact CE3-CB 3.95Å; W244-E251 HydrophobicContact CH2-CB 4.14Å; W244-E251 HydrophobicContact CZ3-CB 3.67Å; E251-L254 WeakPolarHBondContact OE1-CB 3.47Å
252	L	82	Confident	81.4	Confident	83 Å²	83	78 Å²	78	44%	0.435	41%	0.41	S	S	.	.	S	Bend	trans	-66.9	-47.3	175.1	-74.4	178.6	0	0	0	110.3	V231 Y243 D245 H250	V231-L252 HydrophobicContact CG1-CD1 4.46Å; Y243-L252 WeakPolarHBondContact O-CB 3.48Å; Y243-L252 PolarHBondContact O-N 3.36Å; D245-L252 HydrophobicContact CB-CD1 3.66Å; D245-L252 HydrophobicContact CB-CD2 3.62Å; D245-L252 HydrophobicContact CB-CG 3.51Å; H250-L252 PolarHBondContact O-N 3.01Å
253	T	86.3	Confident	80.6	Confident	74 Å²	74	78.2 Å²	78.2	45%	0.454	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	128	-173.9	-56.4	0	0	0	0	109.4	Y243 I255	Y243-T253 PolarHBondContact N-O 3.24Å; T253-I255 HydrophobicContact CG2-CG1 4.08Å
254	L	87.7	Confident	79.5	Confident	56 Å²	56	82.9 Å²	82.9	29%	0.293	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125	163.5	170.7	66.1	0	0	0	109.1	I242 E251 E256	I242-L254 HydrophobicContact CD1-CD1 3.96Å; I242-L254 HydrophobicContact CG1-CD1 3.53Å; E251-L254 WeakPolarHBondContact OE1-CB 3.47Å; L254-E256 HydrophobicContact CD1-CG 4.3Å; L254-E256 HydrophobicContact CD2-CG 3.65Å; L254-E256 HydrophobicContact CG-CG 3.74Å
255	I	87.2	Confident	78.2	Confident	65 Å²	65	86 Å²	86	33%	0.333	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	90.5	170.8	-51.6	-179.4	0	0	0	107.4	S240 L241 Y243 T253 A258	S240-I255 WeakPolarHBondContact CA-O 3.47Å; L241-I255 HydrophobicContact CB-CB 4.32Å; L241-I255 PolarHBondContact N-O 3.39Å; L241-I255 VanDerWaalsContact N-O 3.16Å; L241-I255 PolarHBondContact O-N 3.45Å; Y243-I255 HydrophobicContact CD2-CD1 4.33Å; Y243-I255 HydrophobicContact CE2-CD1 3.76Å; T253-I255 HydrophobicContact CG2-CG1 4.08Å; I255-A258 HydrophobicContact CB-CB 4.31Å; I255-A258 HydrophobicContact CG2-CB 3.72Å
256	E	83.9	Confident	77.2	Confident	158 Å²	158	86.2 Å²	86.2	74%	0.738	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	135.1	171.2	-61	-172.9	163	0	0	110.1	L254 A258	L254-E256 HydrophobicContact CD1-CG 4.3Å; L254-E256 HydrophobicContact CD2-CG 3.65Å; L254-E256 HydrophobicContact CG-CG 3.74Å; E256-A258 VanDerWaalsContact C-N 3.32Å; E256-A258 PolarHBondContact O-N 2.88Å
257	G	77.6	Confident	76.9	Confident	63 Å²	63	87.9 Å²	87.9	65%	0.649	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	27.7	178	0	0	0	0	0	114.6	H259	G257-H259 PolarHBondContact O-N 3.44Å
258	A	81	Confident	76.1	Confident	37 Å²	37	83.8 Å²	83.8	31%	0.306	45%	0.449	S	S	.	.	S	Bend	trans	-57.1	-35.3	171.6	0	0	0	0	0	111.2	G239 L241 I255 E256	G239-A258 WeakPolarHBondContact O-CB 3.49Å; G239-A258 PolarHBondContact O-N 3.26Å; L241-A258 HydrophobicContact CB-CB 4.37Å; L241-A258 HydrophobicContact CD1-CB 3.73Å; L241-A258 HydrophobicContact CG-CB 3.65Å; I255-A258 HydrophobicContact CB-CB 4.31Å; I255-A258 HydrophobicContact CG2-CB 3.72Å; E256-A258 VanDerWaalsContact C-N 3.32Å; E256-A258 PolarHBondContact O-N 2.88Å
259	H	77.4	Confident	75	Confident	97 Å²	97	84.4 Å²	84.4	45%	0.449	45%	0.448	S	S	.	.			trans	-132.5	145	171.2	-63.5	-75.8	0	0	0	110.2	G239 G257 Q261 T263	G239-H259 PolarHBondContact O-N 3.42Å; G257-H259 PolarHBondContact O-N 3.44Å; H259-Q261 WeakPolarHBondContact CB-O 3.45Å; H259-Q261 PolarHBondContact O-N 3.16Å; H259-T263 PolarHBondContact CD2-OG1 3.41Å
260	E	75.9	Confident	73.7	Confident	201 Å²	201	82.1 Å²	82.1	94%	0.939	44%	0.442	S	S	*	.	S	Bend	trans	-70.5	-9.8	171.4	-65	179.6	174.7	0	0	112.6
261	Q	78.6	Confident	71.8	Confident	149 Å²	149	81 Å²	81	70%	0.696	44%	0.437	S	S	*	.	S	Bend	trans	-137.5	168.8	-176.7	-63.9	-173.8	-1.1	0	0	110.2	G239 H259 T263	G239-Q261 VanDerWaalsContact CA-O 3.25Å; G239-Q261 WeakPolarHBondContact CA-O 3.47Å; H259-Q261 WeakPolarHBondContact CB-O 3.45Å; H259-Q261 PolarHBondContact O-N 3.16Å; Q261-T263 PolarHBondContact O-N 2.86Å
262	A	73.9	Confident	69.3	Low	19 Å²	19	83.6 Å²	83.6	16%	0.157	45%	0.447	C	S	.	.			trans	-50.4	135.3	179.2	0	0	0	0	0	113.4	S237 W264	S237-A262 VanDerWaalsContact O-CA 3.3Å; S237-A262 WeakPolarHBondContact O-CA 3.27Å; S237-A262 WeakPolarHBondContact O-CB 3.43Å; A262-W264 HydrophobicContact CB-CZ2 4.14Å; A262-W264 PolarHBondContact O-N 3.02Å; A262-W264 PolarHBondContact O-NE1 3.18Å
263	T	71.9	Confident	66.6	Low	5 Å²	5	83.2 Å²	83.2	3%	0.031	46%	0.463	C	S	.	.			trans	-81.8	107.8	171.1	-56.3	0	0	0	0	109.4	R220 G236 L241 H259 Q261 L266	R220-T263 WeakPolarHBondContact CB-O 3.41Å; G236-T263 PolarHBondContact O-N 2.73Å; G236-T263 VanDerWaalsContact O-N 3.09Å; L241-T263 HydrophobicContact CD2-CG2 3.73Å; H259-T263 PolarHBondContact CD2-OG1 3.41Å; Q261-T263 PolarHBondContact O-N 2.86Å; T263-L266 HydrophobicContact CG2-CD1 3.94Å; T263-L266 HydrophobicContact CG2-CD2 3.67Å; T263-L266 HydrophobicContact CG2-CG 3.54Å
264	W	64.8	Low	63.6	Low	179 Å²	179	85.6 Å²	85.6	68%	0.678	47%	0.473	S	S	*	.			trans	-88.6	-26.5	-177	-62.7	99.7	0	0	0	114.4	R220 A262	R220-W264 VanDerWaalsContact NH1-CZ2 3.31Å; A262-W264 HydrophobicContact CB-CZ2 4.14Å; A262-W264 PolarHBondContact O-N 3.02Å; A262-W264 PolarHBondContact O-NE1 3.18Å
265	A	60.6	Low	60.9	Low	74 Å²	74	89 Å²	89	61%	0.612	49%	0.487	S	S	*	.			trans	-149.8	145.5	-178.8	0	0	0	0	0	109.3
266	L	64.1	Low	58	Low	41 Å²	41	93.6 Å²	93.6	22%	0.215	50%	0.504	C	S	.	.			trans	-136.1	143.8	177.7	-74.7	165.7	0	0	0	109.8	A221 D223 V233 G235 L241 T263	A221-L266 HydrophobicContact CB-CB 4.06Å; A221-L266 HydrophobicContact CB-CD1 3.7Å; A221-L266 HydrophobicContact CB-CG 3.82Å; D223-L266 HydrophobicContact CB-CB 4.49Å; V233-L266 HydrophobicContact CG1-CD1 3.98Å; G235-L266 VanDerWaalsContact CA-CD1 3.46Å; L241-L266 HydrophobicContact CD1-CD2 4.26Å; L241-L266 HydrophobicContact CD2-CD1 3.89Å; L241-L266 HydrophobicContact CD2-CD2 3.56Å; L241-L266 HydrophobicContact CD2-CG 4.24Å; T263-L266 HydrophobicContact CG2-CD1 3.94Å; T263-L266 HydrophobicContact CG2-CD2 3.67Å; T263-L266 HydrophobicContact CG2-CG 3.54Å
267	S	72.4	Confident	55.3	Low	49 Å²	49	88.9 Å²	88.9	34%	0.343	50%	0.499	S	S	.	.			trans	-142	119.5	167.4	-173.8	0	0	0	0	109.7	D223	D223-S267 WeakPolarHBondContact OD2-CA 3.49Å
268	L	63.1	Low	52.9	Low	40 Å²	40	95.2 Å²	95.2	21%	0.209	51%	0.508	C	S	.	.	S	Bend	trans	-87	-42.1	-173.6	-113.2	159.5	0	0	0	112.4	D223 H225 V233 Y243	D223-L268 WeakPolarHBondContact O-CD1 3.49Å; D223-L268 PolarHBondContact OD2-N 3.1Å; H225-L268 HydrophobicContact CB-CD1 4.44Å; V233-L268 HydrophobicContact CB-CD1 3.5Å; V233-L268 VanDerWaalsContact CB-CD1 3.5Å; V233-L268 HydrophobicContact CB-CG 4.02Å; V233-L268 HydrophobicContact CG2-CD1 3.37Å; V233-L268 HydrophobicContact CG2-CD2 3.87Å; V233-L268 HydrophobicContact CG2-CG 3.7Å; V233-L268 VanDerWaalsContact N-CD1 3.29Å; Y243-L268 HydrophobicContact CE1-CD2 3.93Å
269	E	56.2	Low	50.2	Low	48 Å²	48	105.2 Å²	105.2	22%	0.224	54%	0.538	C	S	.	.			trans	-136.8	112.4	173.9	-80.7	-174.4	141.8	0	0	109.7	H225 L226 S227	H225-E269 IonicContact CE1-OE1 2.75Å; H225-E269 PolarHBondContact CE1-OE1 3.47Å; H225-E269 IonicContact CE1-OE2 3.85Å; H225-E269 PolarHBondContact CE1-OE2 3.48Å; H225-E269 VanDerWaalsContact CE1-OE2 3.28Å; H225-E269 IonicContact CG-OE2 3Å; H225-E269 IonicContact ND1-OE1 3.45Å; H225-E269 PolarHBondContact ND1-OE1 2.95Å; H225-E269 IonicContact ND1-OE2 3.99Å; H225-E269 PolarHBondContact ND1-OE2 3.15Å; H225-E269 IonicContact NE2-OE1 3.46Å; L226-E269 WeakPolarHBondContact CA-OE2 3.42Å; L226-E269 PolarHBondContact N-OE2 3.49Å; S227-E269 PolarHBondContact N-OE2 3.3Å; S227-E269 PolarHBondContact OG-OE1 2.96Å; S227-E269 PolarHBondContact OG-OE2 3.45Å; S227-E269 VanDerWaalsContact OG-OE2 3.13Å
270	S	46.2	Very low	47.7	Very low	78 Å²	78	108.1 Å²	108.1	55%	0.545	56%	0.556	S	S	.	*			trans	-86.2	107.3	162.9	54.9	0	0	0	0	107.9	F272	S270-F272 WeakPolarHBondContact CB-O 3.46Å; S270-F272 PolarHBondContact O-N 3.48Å
271	H	34.6	Very low	45.4	Very low	121 Å²	121	107.7 Å²	107.7	56%	0.56	55%	0.554	S	S	*	*	S	Bend	trans	-70.1	2.4	159.3	-75.6	-53	0	0	0	112.2	L226	L226-H271 VanDerWaalsContact CD1-CD2 3.43Å; L226-H271 WeakPolarHBondContact CD1-CD2 3.36Å
272	F	30.2	Very low	42.9	Very low	119 Å²	119	111.7 Å²	111.7	52%	0.522	56%	0.563	S	S	.	*	S	Bend	trans	-146.1	100.4	-174	-67	-82.4	0	0	0	109	I58 S270 L274	I58-F272 HydrophobicContact CD1-CE1 4.13Å; I58-F272 HydrophobicContact CD1-CE2 3.99Å; I58-F272 HydrophobicContact CD1-CZ 3.75Å; S270-F272 WeakPolarHBondContact CB-O 3.46Å; S270-F272 PolarHBondContact O-N 3.48Å; F272-L274 PolarHBondContact O-N 3.43Å
273	G	24.4	Very low	40.8	Very low	75 Å²	75	119.2 Å²	119.2	77%	0.773	60%	0.595	S	S	*	*			trans	-67.8	98.9	174.5	0	0	0	0	0	110.1
274	L	24.8	Very low	38.6	Very low	124 Å²	124	126.9 Å²	126.9	65%	0.649	63%	0.63	S	S	*	*			trans	-174.6	67.5	156.9	-98.1	176.2	0	0	0	109.8	F272 F276	F272-L274 PolarHBondContact O-N 3.43Å; L274-F276 HydrophobicContact CD2-CD2 3.98Å; L274-F276 HydrophobicContact CD2-CE2 3.57Å; L274-F276 HydrophobicContact CD2-CZ 4.49Å; L274-F276 PolarHBondContact O-N 3.45Å
275	H	30.5	Very low	37.1	Very low	127 Å²	127	129.9 Å²	129.9	59%	0.588	64%	0.643	S	S	*	*			trans	-84.1	95.8	166.4	-123.7	-78	0	0	0	109.5	G277	H275-G277 VanDerWaalsContact C-N 3.31Å; H275-G277 PolarHBondContact O-N 3.49Å; H275-G277 VanDerWaalsContact O-N 3.13Å
276	F	26.4	Very low	35.6	Very low	161 Å²	161	132.8 Å²	132.8	71%	0.706	65%	0.653	S	S	*	*			trans	-78.6	81	164.4	-88.7	-80.2	0	0	0	109.4	L274	L274-F276 HydrophobicContact CD2-CD2 3.98Å; L274-F276 HydrophobicContact CD2-CE2 3.57Å; L274-F276 HydrophobicContact CD2-CZ 4.49Å; L274-F276 PolarHBondContact O-N 3.45Å
277	G	27.6	Very low	34.2	Very low	60 Å²	60	136 Å²	136	62%	0.619	68%	0.679	S	S	*	*			trans	-83.2	110.8	165.6	0	0	0	0	0	110.2	H275 R279	H275-G277 VanDerWaalsContact C-N 3.31Å; H275-G277 PolarHBondContact O-N 3.49Å; H275-G277 VanDerWaalsContact O-N 3.13Å; G277-R279 PolarHBondContact O-N 3.2Å; G277-R279 VanDerWaalsContact O-N 3.15Å
278	F	27.2	Very low	32.8	Very low	195 Å²	195	142.4 Å²	142.4	86%	0.855	72%	0.724	S	S	*	*			trans	-57.2	113.7	172.9	-78.9	-95.6	0	0	0	110.7
279	R	24.2	Very low	31.3	Very low	248 Å²	248	147.6 Å²	147.6	94%	0.936	75%	0.75	S	S	*	*			trans	-107.8	90.5	166.7	-164	174.9	-169.9	171.7	4.2	109.7	G277	G277-R279 PolarHBondContact O-N 3.2Å; G277-R279 VanDerWaalsContact O-N 3.15Å
280	L	24.1	Very low	30	Very low	157 Å²	157	152.8 Å²	152.8	82%	0.822	78%	0.777	S	S	*	*			trans	-122.9	112.8	159.4	-91.4	149.5	0	0	0	103.8
281	Q	28.5	Very low	29.1	Very low	193 Å²	193	156.9 Å²	156.9	90%	0.902	79%	0.79	S	S	*	*				-160.3	146.4	78.1	-147.1	170	2.3	0	0	111.7
282	R	24.4	Very low	28.7	Very low	233 Å²	233	159.1 Å²	159.1	88%	0.879	80%	0.804	S	S	*	*			trans	-98.7	135.6	-177.4	-175.4	-169	-164.6	-166	5.3	109
283	Q	31.1	Very low	28.6	Very low	177 Å²	177	161.6 Å²	161.6	83%	0.827	82%	0.821	S	S	*	*			trans	-178.7	102.5	142.1	-102.9	174.8	6.8	0	0	108.9
284	Q	26.4	Very low	28.9	Very low	166 Å²	166	167.3 Å²	167.3	78%	0.776	83%	0.825	S	S	*	*				58.1	104	108.4	-76.6	-170.7	-37.1	0	0	114.2
285	Y	32.1	Very low	29.2	Very low	242 Å²	242	170.4 Å²	170.4	95%	0.949	84%	0.837	S	S	*	*				-150.7	135.8	128.4	-100.4	-78.6	0	0	0	110.1
286	V	28.2	Very low	29.1	Very low	134 Å²	134	173.8 Å²	173.8	81%	0.812	86%	0.856	S	S	*	*			trans	-72.9	143.1	-178.8	174.8	0	0	0	0	109.7
287	S	35.7	Very low	29.3	Very low	108 Å²	108	174.8 Å²	174.8	76%	0.755	87%	0.869	S	S	*	*			trans	-132	117.5	156.7	64.4	0	0	0	0	110
288	S	42.6	Very low	29.5	Very low	185 Å²	185	185.3 Å²	185.3	100%	1.294	89%	0.892	S	S	*	*			trans	58.2	0	169.4	64.7	0	0	0	0	118.9

Retrieved 288 of 288 residues in 769.5 ms (Link to these results)

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