A0A087YRD8_POEFO Loading...

Hypermethylated in cancer 1 protein

Transcriptional repressor.

AlphaFold DB , UniProt , Accession A0A087YRD8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 587 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	E	38.4	Very low	42.3	Very low	229 Å²	229	121.5 Å²	121.5	100%	1.07	61%	0.611	S	S	*	*				0	157.2	0	-61.8	89.3	119.7	0	0	108.7
2	M	32	Very low	42.7	Very low	191 Å²	191	119.8 Å²	119.8	94%	0.941	60%	0.604	S	S	*	*			trans	-151.1	119.2	152.6	-92.3	-159.7	-69.6	0	0	108	L4	M2-L4 PolarHBondContact O-N 3.43Å
3	E	37	Very low	43.9	Very low	158 Å²	158	119.2 Å²	119.2	74%	0.738	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-78.7	122.2	179.4	-71.1	-148.6	90.3	0	0	111.6	K9	E3-K9 IonicContact OE1-NZ 3.47Å; E3-K9 PolarHBondContact OE1-NZ 3.21Å
4	L	39.1	Very low	44.3	Very low	101 Å²	101	118.3 Å²	118.3	53%	0.529	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-61	127.2	169.6	-160.5	77.6	0	0	0	109.1	M2 N6 A8 K9	M2-L4 PolarHBondContact O-N 3.43Å; L4-N6 PolarHBondContact O-N 3.38Å; L4-A8 HydrophobicContact CD2-CB 4.07Å; L4-A8 HydrophobicContact CG-CB 4.22Å; L4-K9 WeakPolarHBondContact O-CE 3.5Å; L4-K9 PolarHBondContact O-NZ 3.29Å
5	P	49.9	Very low	44.4	Very low	89 Å²	89	117.6 Å²	117.6	58%	0.578	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-53.6	136	-174	-29.7	35.5	0	0	0	112.8	H7 A8 K9	P5-H7 PolarHBondContact O-N 2.84Å; P5-A8 WeakPolarHBondContact O-CB 3.22Å; P5-A8 PolarHBondContact O-N 2.89Å; P5-K9 PolarHBondContact O-N 2.85Å
6	N	49.5	Very low	44.6	Very low	110 Å²	110	115.8 Å²	115.8	59%	0.588	59%	0.586	S	S	*	*	H	α-helix	trans	-57.3	-27.9	-172.2	-70.7	-30.8	0	0	0	113.5	L4 A8 K9 Q10	L4-N6 PolarHBondContact O-N 3.38Å; N6-A8 VanDerWaalsContact C-N 3.33Å; N6-A8 PolarHBondContact O-N 3.1Å; N6-K9 PolarHBondContact O-N 2.77Å; N6-K9 PolarHBondContact OD1-NZ 3.12Å; N6-Q10 WeakPolarHBondContact O-CB 3.28Å; N6-Q10 PolarHBondContact O-N 3.08Å
7	H	42.4	Very low	45	Very low	144 Å²	144	116.5 Å²	116.5	67%	0.667	59%	0.587	S	S	*	*	H	α-helix	trans	-60.1	-36.9	172.3	-167	-94.9	0	0	0	113.6	P5 Q10 L11	P5-H7 PolarHBondContact O-N 2.84Å; H7-Q10 PolarHBondContact O-N 3.34Å; H7-L11 PolarHBondContact O-N 3.03Å
8	A	39	Very low	44.9	Very low	35 Å²	35	116.4 Å²	116.4	29%	0.289	58%	0.584	S	S	.	*	H	α-helix	trans	-72	-39.2	176.7	0	0	0	0	0	111.8	L4 P5 N6 Q10 L11 L12	L4-A8 HydrophobicContact CD2-CB 4.07Å; L4-A8 HydrophobicContact CG-CB 4.22Å; P5-A8 WeakPolarHBondContact O-CB 3.22Å; P5-A8 PolarHBondContact O-N 2.89Å; N6-A8 VanDerWaalsContact C-N 3.33Å; N6-A8 PolarHBondContact O-N 3.1Å; A8-Q10 VanDerWaalsContact C-N 3.34Å; A8-L11 PolarHBondContact O-N 3.09Å; A8-L12 PolarHBondContact O-N 3.36Å
9	K	47.5	Very low	44.7	Very low	88 Å²	88	119.6 Å²	119.6	38%	0.383	59%	0.588	S	S	.	*	H	α-helix	trans	-61.3	-43	171.8	-61.3	175.2	-175.2	159	0	110.8	E3 L4 P5 N6 L12 L13	E3-K9 IonicContact OE1-NZ 3.47Å; E3-K9 PolarHBondContact OE1-NZ 3.21Å; L4-K9 WeakPolarHBondContact O-CE 3.5Å; L4-K9 PolarHBondContact O-NZ 3.29Å; P5-K9 PolarHBondContact O-N 2.85Å; N6-K9 PolarHBondContact O-N 2.77Å; N6-K9 PolarHBondContact OD1-NZ 3.12Å; K9-L12 PolarHBondContact O-N 2.83Å; K9-L13 WeakPolarHBondContact O-CB 3.36Å; K9-L13 PolarHBondContact O-N 2.89Å
10	Q	47.1	Very low	44.8	Very low	114 Å²	114	118.1 Å²	118.1	53%	0.533	60%	0.596	S	S	.	*	H	α-helix	trans	-61.7	-45.5	177.1	-159.1	76.1	10.6	0	0	112.2	N6 H7 A8 L13 Q14	N6-Q10 WeakPolarHBondContact O-CB 3.28Å; N6-Q10 PolarHBondContact O-N 3.08Å; H7-Q10 PolarHBondContact O-N 3.34Å; A8-Q10 VanDerWaalsContact C-N 3.34Å; Q10-L13 PolarHBondContact O-N 2.89Å; Q10-Q14 PolarHBondContact O-N 3.26Å
11	L	43.2	Very low	44.9	Very low	77 Å²	77	119.3 Å²	119.3	40%	0.403	60%	0.597	S	S	.	*	H	α-helix	trans	-62.5	-44.9	176.7	-94.7	162.7	0	0	0	112.5	H7 A8 L13 Q14 L15	H7-L11 PolarHBondContact O-N 3.03Å; A8-L11 PolarHBondContact O-N 3.09Å; L11-L13 VanDerWaalsContact C-N 3.31Å; L11-L13 PolarHBondContact O-N 3.01Å; L11-Q14 PolarHBondContact O-N 2.97Å; L11-L15 WeakPolarHBondContact O-CB 3.43Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.5Å; L11-L15 PolarHBondContact O-N 3.16Å
12	L	47.1	Very low	45.2	Very low	101 Å²	101	111.4 Å²	111.4	53%	0.529	58%	0.577	S	S	.	*	H	α-helix	trans	-61.7	-38.4	175.4	-95.2	161.8	0	0	0	112.4	A8 K9 N16	A8-L12 PolarHBondContact O-N 3.36Å; K9-L12 PolarHBondContact O-N 2.83Å; L12-N16 PolarHBondContact O-N 2.68Å
13	L	57.9	Low	45.8	Very low	113 Å²	113	111.2 Å²	111.2	59%	0.592	57%	0.571	S	S	*	*	H	α-helix	trans	-66.9	-45.8	176.1	-169.1	64.9	0	0	0	111.3	K9 Q10 L11 N16 Q17	K9-L13 WeakPolarHBondContact O-CB 3.36Å; K9-L13 PolarHBondContact O-N 2.89Å; Q10-L13 PolarHBondContact O-N 2.89Å; L11-L13 VanDerWaalsContact C-N 3.31Å; L11-L13 PolarHBondContact O-N 3.01Å; L13-N16 PolarHBondContact O-N 3.33Å; L13-Q17 WeakPolarHBondContact O-CB 3.21Å; L13-Q17 PolarHBondContact O-N 3.43Å
14	Q	49.5	Very low	45.8	Very low	106 Å²	106	106.8 Å²	106.8	50%	0.495	55%	0.552	S	S	.	*	H	α-helix	trans	-61.1	-43.2	174.5	-77.1	-175.7	-42.4	0	0	112.4	Q10 L11 N16 Q17 Q18	Q10-Q14 PolarHBondContact O-N 3.26Å; L11-Q14 PolarHBondContact O-N 2.97Å; Q14-N16 PolarHBondContact O-N 2.83Å; Q14-Q17 PolarHBondContact O-N 3.43Å; Q14-Q17 VanDerWaalsContact O-N 3.14Å; Q14-Q18 WeakPolarHBondContact O-CG 3.11Å; Q14-Q18 PolarHBondContact O-N 3.2Å
15	L	45.7	Very low	45.6	Very low	108 Å²	108	106.3 Å²	106.3	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-62.4	-43.3	178.3	-76.1	165.6	0	0	0	112	L11 Q17 Q18 R19	L11-L15 WeakPolarHBondContact O-CB 3.43Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.5Å; L11-L15 PolarHBondContact O-N 3.16Å; L15-Q17 VanDerWaalsContact C-N 3.34Å; L15-Q17 PolarHBondContact O-N 3.39Å; L15-Q18 PolarHBondContact O-N 3.35Å; L15-R19 WeakPolarHBondContact O-CB 3.4Å; L15-R19 PolarHBondContact O-N 3.3Å
16	N	47.5	Very low	44.9	Very low	88 Å²	88	108.1 Å²	108.1	47%	0.471	56%	0.561	S	S	.	*	H	α-helix	trans	-65.9	-34.8	172.6	-85.6	-41	0	0	0	112.6	L12 L13 Q14 Q18 R19 A20	L12-N16 PolarHBondContact O-N 2.68Å; L13-N16 PolarHBondContact O-N 3.33Å; Q14-N16 PolarHBondContact O-N 2.83Å; N16-Q18 VanDerWaalsContact C-N 3.32Å; N16-Q18 PolarHBondContact O-N 3.31Å; N16-R19 WeakPolarHBondContact O-CB 3.41Å; N16-R19 PolarHBondContact O-N 2.99Å; N16-A20 PolarHBondContact O-N 2.85Å
17	Q	51.3	Low	44.2	Very low	129 Å²	129	106.8 Å²	106.8	60%	0.603	56%	0.557	S	S	*	*	H	α-helix	trans	-71.1	-26.2	177.8	-158.4	173.4	41.7	0	0	113	L13 Q14 L15	L13-Q17 WeakPolarHBondContact O-CB 3.21Å; L13-Q17 PolarHBondContact O-N 3.43Å; Q14-Q17 PolarHBondContact O-N 3.43Å; Q14-Q17 VanDerWaalsContact O-N 3.14Å; L15-Q17 VanDerWaalsContact C-N 3.34Å; L15-Q17 PolarHBondContact O-N 3.39Å
18	Q	44.1	Very low	43.9	Very low	114 Å²	114	103.9 Å²	103.9	53%	0.533	55%	0.545	S	S	.	.	H	α-helix	trans	-81.6	-34.6	169.2	-63.2	-62.3	-7.4	0	0	112.5	Q14 L15 N16 A20 K21	Q14-Q18 WeakPolarHBondContact O-CG 3.11Å; Q14-Q18 PolarHBondContact O-N 3.2Å; L15-Q18 PolarHBondContact O-N 3.35Å; N16-Q18 VanDerWaalsContact C-N 3.32Å; N16-Q18 PolarHBondContact O-N 3.31Å; Q18-A20 PolarHBondContact O-N 3.47Å; Q18-K21 PolarHBondContact O-N 3.47Å
19	R	41.2	Very low	43.9	Very low	177 Å²	177	106.7 Å²	106.7	67%	0.668	55%	0.554	S	S	*	*	H	α-helix	trans	-55.6	-35.2	173.1	-170.7	-178	-175	-177.8	2.9	112.1	L15 N16 K21	L15-R19 WeakPolarHBondContact O-CB 3.4Å; L15-R19 PolarHBondContact O-N 3.3Å; N16-R19 WeakPolarHBondContact O-CB 3.41Å; N16-R19 PolarHBondContact O-N 2.99Å; R19-K21 PolarHBondContact O-N 3Å
20	A	46	Very low	43.3	Very low	90 Å²	90	107.4 Å²	107.4	74%	0.744	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-5.5	174.8	0	0	0	0	0	115.1	N16 Q18	N16-A20 PolarHBondContact O-N 2.85Å; Q18-A20 PolarHBondContact O-N 3.47Å
21	K	46.3	Very low	42.9	Very low	144 Å²	144	105.5 Å²	105.5	63%	0.626	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	14.3	-176.3	-63.9	-172.6	176.4	-174.5	0	114.7	Q18 R19 F23	Q18-K21 PolarHBondContact O-N 3.47Å; R19-K21 PolarHBondContact O-N 3Å; K21-F23 PolarHBondContact O-N 2.17Å
22	G	45.6	Very low	42.4	Very low	62 Å²	62	107.4 Å²	107.4	64%	0.639	57%	0.569	S	S	*	*	S	Bend	trans	72.9	-6.3	165.4	0	0	0	0	0	117.7	L24	G22-L24 PolarHBondContact O-N 3.07Å
23	F	44.3	Very low	41.7	Very low	188 Å²	188	106.9 Å²	106.9	83%	0.825	57%	0.567	S	S	*	*			trans	-76.7	26.1	-174.4	-101.4	-85.1	0	0	0	115.6	K21	K21-F23 PolarHBondContact O-N 2.17Å
24	L	36.7	Very low	40.6	Very low	65 Å²	65	104.3 Å²	104.3	34%	0.34	56%	0.562	S	S	.	*			trans	-130.2	30.8	-160.6	-114.8	166.7	0	0	0	115.4	G22 V27 I28	G22-L24 PolarHBondContact O-N 3.07Å; L24-V27 HydrophobicContact CD2-CB 4.06Å; L24-V27 HydrophobicContact CD2-CG1 4.28Å; L24-I28 HydrophobicContact CD2-CD1 4.35Å; L24-I28 HydrophobicContact CD2-CG1 3.88Å; L24-I28 WeakPolarHBondContact O-CD1 3.48Å; L24-I28 VanDerWaalsContact O-CG1 3.28Å; L24-I28 WeakPolarHBondContact O-CG1 3.27Å
25	C	36.3	Very low	39.9	Very low	91 Å²	91	103.9 Å²	103.9	62%	0.615	56%	0.562	S	S	*	*	S	Bend	trans	-85.4	-57.3	167.7	-64.4	0	0	0	0	111.5	V27 I28 I29	C25-V27 PolarHBondContact O-N 2.86Å; C25-I28 PolarHBondContact O-N 2.94Å; C25-I29 PolarHBondContact O-N 3.33Å
26	D	33.7	Very low	39.3	Very low	126 Å²	126	106.9 Å²	106.9	67%	0.674	57%	0.571	S	S	*	*	H	α-helix	trans	-69.1	-34.2	-170.1	-52.8	-48.8	0	0	0	113.3	I28 I29 V30	D26-I28 VanDerWaalsContact C-N 3.3Å; D26-I28 PolarHBondContact O-N 3.2Å; D26-I29 PolarHBondContact O-N 3.04Å; D26-V30 PolarHBondContact O-N 2.85Å
27	V	36	Very low	38.8	Very low	83 Å²	83	112.1 Å²	112.1	50%	0.503	58%	0.584	S	S	.	*	H	α-helix	trans	-65.7	-33.8	176.4	177	0	0	0	0	111.5	L24 C25 V30 V31	L24-V27 HydrophobicContact CD2-CB 4.06Å; L24-V27 HydrophobicContact CD2-CG1 4.28Å; C25-V27 PolarHBondContact O-N 2.86Å; V27-V30 PolarHBondContact O-N 2.97Å; V27-V31 HydrophobicContact CG1-CG2 4.23Å; V27-V31 WeakPolarHBondContact O-CB 3.24Å; V27-V31 VanDerWaalsContact O-CG2 3.28Å; V27-V31 WeakPolarHBondContact O-CG2 3.37Å; V27-V31 PolarHBondContact O-N 3.49Å
28	I	36.8	Very low	38.1	Very low	82 Å²	82	107.7 Å²	107.7	42%	0.421	57%	0.57	S	S	.	*	H	α-helix	trans	-65.2	-45.9	176.1	-66.9	179.7	0	0	0	109.8	L24 C25 D26 V30 V31 E32	L24-I28 HydrophobicContact CD2-CD1 4.35Å; L24-I28 HydrophobicContact CD2-CG1 3.88Å; L24-I28 WeakPolarHBondContact O-CD1 3.48Å; L24-I28 VanDerWaalsContact O-CG1 3.28Å; L24-I28 WeakPolarHBondContact O-CG1 3.27Å; C25-I28 PolarHBondContact O-N 2.94Å; D26-I28 VanDerWaalsContact C-N 3.3Å; D26-I28 PolarHBondContact O-N 3.2Å; I28-V30 VanDerWaalsContact C-N 3.29Å; I28-V30 PolarHBondContact O-N 3.21Å; I28-V31 PolarHBondContact O-N 2.86Å; I28-V31 VanDerWaalsContact O-N 3.14Å; I28-E32 HydrophobicContact CG2-CG 3.97Å; I28-E32 WeakPolarHBondContact O-CB 3.19Å; I28-E32 WeakPolarHBondContact O-CG 3Å; I28-E32 PolarHBondContact O-N 3.3Å
29	I	37.4	Very low	37.8	Very low	94 Å²	94	107.6 Å²	107.6	48%	0.482	57%	0.569	S	S	.	*	H	α-helix	trans	-60.2	-38.5	179.3	-61.7	172.6	0	0	0	111.5	C25 D26 N33	C25-I29 PolarHBondContact O-N 3.33Å; D26-I29 PolarHBondContact O-N 3.04Å; I29-N33 WeakPolarHBondContact O-CB 3.5Å; I29-N33 PolarHBondContact O-N 3.44Å; I29-N33 VanDerWaalsContact O-N 3.1Å; I29-N33 PolarHBondContact O-ND2 3.17Å
30	V	36.6	Very low	37.5	Very low	104 Å²	104	107.1 Å²	107.1	63%	0.63	57%	0.572	S	S	*	*	H	α-helix	trans	-69.2	-43.3	175.7	175.8	0	0	0	0	111.7	D26 V27 I28 N33 A34	D26-V30 PolarHBondContact O-N 2.85Å; V27-V30 PolarHBondContact O-N 2.97Å; I28-V30 VanDerWaalsContact C-N 3.29Å; I28-V30 PolarHBondContact O-N 3.21Å; V30-N33 PolarHBondContact O-N 3.34Å; V30-A34 WeakPolarHBondContact O-CB 3.34Å; V30-A34 PolarHBondContact O-N 3.39Å
31	V	36.7	Very low	37.2	Very low	74 Å²	74	108.4 Å²	108.4	45%	0.448	57%	0.566	S	S	.	*	H	α-helix	trans	-68.4	-40.3	179.1	169.7	0	0	0	0	111.7	V27 I28 A34 L35	V27-V31 HydrophobicContact CG1-CG2 4.23Å; V27-V31 WeakPolarHBondContact O-CB 3.24Å; V27-V31 VanDerWaalsContact O-CG2 3.28Å; V27-V31 WeakPolarHBondContact O-CG2 3.37Å; V27-V31 PolarHBondContact O-N 3.49Å; I28-V31 PolarHBondContact O-N 2.86Å; I28-V31 VanDerWaalsContact O-N 3.14Å; V31-A34 WeakPolarHBondContact O-CB 3.44Å; V31-A34 PolarHBondContact O-N 3.44Å; V31-L35 HydrophobicContact CG1-CD1 3.86Å; V31-L35 HydrophobicContact CG1-CG 4.37Å; V31-L35 WeakPolarHBondContact O-CB 3.26Å; V31-L35 WeakPolarHBondContact O-CG 3.44Å; V31-L35 PolarHBondContact O-N 2.91Å
32	E	34.2	Very low	36.8	Very low	116 Å²	116	105.8 Å²	105.8	54%	0.542	56%	0.558	S	S	.	*	H	α-helix	trans	-64.6	-42.4	174.9	-73.8	-177.8	156.1	0	0	111.5	I28 A34 L35 F36	I28-E32 HydrophobicContact CG2-CG 3.97Å; I28-E32 WeakPolarHBondContact O-CB 3.19Å; I28-E32 WeakPolarHBondContact O-CG 3Å; I28-E32 PolarHBondContact O-N 3.3Å; E32-A34 VanDerWaalsContact C-N 3.3Å; E32-A34 PolarHBondContact O-N 3.41Å; E32-L35 PolarHBondContact O-N 3.37Å; E32-F36 WeakPolarHBondContact O-CB 3.39Å; E32-F36 PolarHBondContact O-N 3.29Å
33	N	33	Very low	36.4	Very low	90 Å²	90	108.8 Å²	108.8	48%	0.481	56%	0.559	S	S	.	*	H	α-helix	trans	-65.3	-31.9	174	-85.7	-80.8	0	0	0	113	I29 V30 R37	I29-N33 WeakPolarHBondContact O-CB 3.5Å; I29-N33 PolarHBondContact O-N 3.44Å; I29-N33 VanDerWaalsContact O-N 3.1Å; I29-N33 PolarHBondContact O-ND2 3.17Å; V30-N33 PolarHBondContact O-N 3.34Å; N33-R37 WeakPolarHBondContact O-CG 3.47Å; N33-R37 PolarHBondContact O-N 2.79Å
34	A	34.4	Very low	36.1	Very low	59 Å²	59	102.3 Å²	102.3	49%	0.488	54%	0.54	S	S	.	.	H	α-helix	trans	-70.1	-44.4	171.7	0	0	0	0	0	111.7	V30 V31 E32 F36 R37 A38	V30-A34 WeakPolarHBondContact O-CB 3.34Å; V30-A34 PolarHBondContact O-N 3.39Å; V31-A34 WeakPolarHBondContact O-CB 3.44Å; V31-A34 PolarHBondContact O-N 3.44Å; E32-A34 VanDerWaalsContact C-N 3.3Å; E32-A34 PolarHBondContact O-N 3.41Å; A34-F36 PolarHBondContact O-N 3.19Å; A34-R37 PolarHBondContact O-N 3.19Å; A34-A38 PolarHBondContact O-N 3.25Å
35	L	34.1	Very low	36	Very low	97 Å²	97	101.7 Å²	101.7	51%	0.508	55%	0.545	S	S	.	.	H	α-helix	trans	-64.2	-37.2	176	-75.4	168.2	0	0	0	112.3	V31 E32 A38 H39	V31-L35 HydrophobicContact CG1-CD1 3.86Å; V31-L35 HydrophobicContact CG1-CG 4.37Å; V31-L35 WeakPolarHBondContact O-CB 3.26Å; V31-L35 WeakPolarHBondContact O-CG 3.44Å; V31-L35 PolarHBondContact O-N 2.91Å; E32-L35 PolarHBondContact O-N 3.37Å; L35-A38 CarbonylContact O-C 3.58Å; L35-A38 WeakPolarHBondContact O-CB 3.18Å; L35-A38 PolarHBondContact O-N 3.16Å; L35-H39 PolarHBondContact O-N 2.93Å
36	F	32.6	Very low	36	Very low	172 Å²	172	99.6 Å²	99.6	75%	0.754	53%	0.531	S	S	*	.	H	α-helix	trans	-67.6	-36.7	176.9	-150.2	-89.1	0	0	0	111.7	E32 A34 H39	E32-F36 WeakPolarHBondContact O-CB 3.39Å; E32-F36 PolarHBondContact O-N 3.29Å; A34-F36 PolarHBondContact O-N 3.19Å; F36-H39 PolarHBondContact O-N 3.18Å
37	R	38	Very low	36.2	Very low	198 Å²	198	96.2 Å²	96.2	75%	0.747	52%	0.517	S	S	*	.	H	α-helix	trans	-68	-37.9	170.1	-70.3	174.3	-172.4	-114.1	0.5	111.6	N33 A34	N33-R37 WeakPolarHBondContact O-CG 3.47Å; N33-R37 PolarHBondContact O-N 2.79Å; A34-R37 PolarHBondContact O-N 3.19Å
38	A	36.1	Very low	36.5	Very low	36 Å²	36	96.8 Å²	96.8	30%	0.298	52%	0.516	S	S	.	.	H	α-helix	trans	-65.6	-36.4	172.9	0	0	0	0	0	112.5	A34 L35 K40 N41 I42	A34-A38 PolarHBondContact O-N 3.25Å; L35-A38 CarbonylContact O-C 3.58Å; L35-A38 WeakPolarHBondContact O-CB 3.18Å; L35-A38 PolarHBondContact O-N 3.16Å; A38-K40 VanDerWaalsContact C-N 3.26Å; A38-K40 PolarHBondContact O-N 3.18Å; A38-N41 CarbonylContact O-C 3.51Å; A38-N41 WeakPolarHBondContact O-CA 3.5Å; A38-N41 WeakPolarHBondContact O-CB 3.49Å; A38-N41 PolarHBondContact O-N 3.39Å; A38-I42 WeakPolarHBondContact O-CG1 3.35Å; A38-I42 PolarHBondContact O-N 3.28Å
39	H	37.6	Very low	36.6	Very low	112 Å²	112	100.2 Å²	100.2	52%	0.519	53%	0.525	S	S	.	.	H	α-helix	trans	-59.5	-33.3	179.2	-104.5	-120	0	0	0	113.3	L35 F36 N41 I42 L43	L35-H39 PolarHBondContact O-N 2.93Å; F36-H39 PolarHBondContact O-N 3.18Å; H39-N41 VanDerWaalsContact C-N 3.3Å; H39-N41 PolarHBondContact O-N 3.47Å; H39-I42 PolarHBondContact O-N 3.22Å; H39-L43 PolarHBondContact O-N 2.83Å
40	K	34.5	Very low	36.4	Very low	166 Å²	166	102.7 Å²	102.7	72%	0.722	53%	0.533	S	S	*	.	H	α-helix	trans	-66.2	-33.8	173.2	-163.3	170.8	-174.7	174.6	0	112.3	A38 A44	A38-K40 VanDerWaalsContact C-N 3.26Å; A38-K40 PolarHBondContact O-N 3.18Å; K40-A44 PolarHBondContact O-N 3.29Å
41	N	39.6	Very low	36.4	Very low	118 Å²	118	104 Å²	104	63%	0.631	53%	0.529	S	S	*	.	H	α-helix	trans	-77.3	-30.3	172	-65.1	-14.3	0	0	0	112	A38 H39 A44 A45	A38-N41 CarbonylContact O-C 3.51Å; A38-N41 WeakPolarHBondContact O-CA 3.5Å; A38-N41 WeakPolarHBondContact O-CB 3.49Å; A38-N41 PolarHBondContact O-N 3.39Å; H39-N41 VanDerWaalsContact C-N 3.3Å; H39-N41 PolarHBondContact O-N 3.47Å; N41-A44 PolarHBondContact O-N 3.08Å; N41-A45 VanDerWaalsContact O-CB 3.29Å; N41-A45 WeakPolarHBondContact O-CB 3.13Å; N41-A45 PolarHBondContact O-N 3.23Å
42	I	39.2	Very low	36.6	Very low	89 Å²	89	101 Å²	101	46%	0.456	51%	0.512	S	S	.	.	H	α-helix	trans	-69	-34.7	174.2	-67.2	165.4	0	0	0	111.1	A38 H39 A45 S46	A38-I42 WeakPolarHBondContact O-CG1 3.35Å; A38-I42 PolarHBondContact O-N 3.28Å; H39-I42 PolarHBondContact O-N 3.22Å; I42-A45 CarbonylContact O-C 3.47Å; I42-A45 PolarHBondContact O-N 2.95Å; I42-S46 WeakPolarHBondContact O-CB 3.31Å; I42-S46 PolarHBondContact O-N 3.23Å; I42-S46 PolarHBondContact O-OG 3.45Å
43	L	36.1	Very low	36.9	Very low	124 Å²	124	99.2 Å²	99.2	65%	0.649	51%	0.506	S	S	*	.	H	α-helix	trans	-67.4	-34.2	170.8	-81.6	163.9	0	0	0	112.9	H39 S46 S47	H39-L43 PolarHBondContact O-N 2.83Å; L43-S46 PolarHBondContact O-OG 3.3Å; L43-S47 WeakPolarHBondContact O-CB 3.45Å; L43-S47 PolarHBondContact O-N 2.9Å; L43-S47 VanDerWaalsContact O-N 3.1Å
44	A	37.8	Very low	37.2	Very low	53 Å²	53	98.9 Å²	98.9	44%	0.438	51%	0.507	S	S	.	.	H	α-helix	trans	-68.9	-44.3	169.8	0	0	0	0	0	111.2	K40 N41 S46 S47 I48	K40-A44 PolarHBondContact O-N 3.29Å; N41-A44 PolarHBondContact O-N 3.08Å; A44-S46 PolarHBondContact O-N 3.49Å; A44-S47 PolarHBondContact O-N 2.91Å; A44-I48 WeakPolarHBondContact O-CG1 3.3Å; A44-I48 PolarHBondContact O-N 3Å
45	A	36.3	Very low	37.6	Very low	52 Å²	52	97.2 Å²	97.2	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-66.6	-33.4	178.8	0	0	0	0	0	112.7	N41 I42 I48 Y49	N41-A45 VanDerWaalsContact O-CB 3.29Å; N41-A45 WeakPolarHBondContact O-CB 3.13Å; N41-A45 PolarHBondContact O-N 3.23Å; I42-A45 CarbonylContact O-C 3.47Å; I42-A45 PolarHBondContact O-N 2.95Å; A45-I48 CarbonylContact O-C 3.58Å; A45-I48 WeakPolarHBondContact O-CB 3.47Å; A45-I48 PolarHBondContact O-N 3.33Å; A45-Y49 VanDerWaalsContact O-CB 3.28Å; A45-Y49 WeakPolarHBondContact O-CB 3.48Å; A45-Y49 PolarHBondContact O-N 3Å
46	S	36	Very low	37.9	Very low	46 Å²	46	97.3 Å²	97.3	32%	0.322	49%	0.487	S	S	.	.	H	α-helix	trans	-77	-32.2	174.1	68.3	0	0	0	0	112	I42 L43 A44 I48 Y49 F50	I42-S46 WeakPolarHBondContact O-CB 3.31Å; I42-S46 PolarHBondContact O-N 3.23Å; I42-S46 PolarHBondContact O-OG 3.45Å; L43-S46 PolarHBondContact O-OG 3.3Å; A44-S46 PolarHBondContact O-N 3.49Å; S46-I48 VanDerWaalsContact C-N 3.29Å; S46-I48 PolarHBondContact O-N 2.81Å; S46-Y49 PolarHBondContact O-N 2.91Å; S46-F50 WeakPolarHBondContact O-CB 3.21Å; S46-F50 PolarHBondContact O-N 3.47Å
47	S	36.5	Very low	38.3	Very low	55 Å²	55	93.7 Å²	93.7	39%	0.385	48%	0.476	S	S	.	.	H	α-helix	trans	-63.6	-36.4	166.7	-171.2	0	0	0	0	111.9	L43 A44 K51	L43-S47 WeakPolarHBondContact O-CB 3.45Å; L43-S47 PolarHBondContact O-N 2.9Å; L43-S47 VanDerWaalsContact O-N 3.1Å; A44-S47 PolarHBondContact O-N 2.91Å; S47-K51 WeakPolarHBondContact O-CB 3.34Å; S47-K51 WeakPolarHBondContact O-CD 3.35Å; S47-K51 VanDerWaalsContact O-CG 3.25Å; S47-K51 WeakPolarHBondContact O-CG 3.22Å; S47-K51 PolarHBondContact O-N 3.04Å; S47-K51 PolarHBondContact OG-NZ 3.3Å
48	I	43.2	Very low	38.3	Very low	95 Å²	95	87.6 Å²	87.6	49%	0.487	46%	0.458	S	S	.	.	H	α-helix	trans	-67.2	-47.7	170.6	-68.3	163.1	0	0	0	110	A44 A45 S46 F50 K51 S52	A44-I48 WeakPolarHBondContact O-CG1 3.3Å; A44-I48 PolarHBondContact O-N 3Å; A45-I48 CarbonylContact O-C 3.58Å; A45-I48 WeakPolarHBondContact O-CB 3.47Å; A45-I48 PolarHBondContact O-N 3.33Å; S46-I48 VanDerWaalsContact C-N 3.29Å; S46-I48 PolarHBondContact O-N 2.81Å; I48-F50 PolarHBondContact O-N 3.38Å; I48-K51 CarbonylContact O-C 3.58Å; I48-K51 WeakPolarHBondContact O-CA 3.29Å; I48-K51 WeakPolarHBondContact O-CB 3.45Å; I48-K51 PolarHBondContact O-N 2.76Å; I48-S52 PolarHBondContact O-N 2.85Å; I48-S52 PolarHBondContact O-OG 3.46Å; I48-S52 VanDerWaalsContact O-OG 3.14Å
49	Y	38.2	Very low	38.5	Very low	155 Å²	155	86.7 Å²	86.7	61%	0.608	45%	0.448	S	S	*	.	H	α-helix	trans	-63.3	-41.3	-177.6	-163.8	-102.4	0	0	0	112.9	A45 S46 K51 S52 L53	A45-Y49 VanDerWaalsContact O-CB 3.28Å; A45-Y49 WeakPolarHBondContact O-CB 3.48Å; A45-Y49 PolarHBondContact O-N 3Å; S46-Y49 PolarHBondContact O-N 2.91Å; Y49-K51 VanDerWaalsContact C-N 3.35Å; Y49-S52 CarbonylContact O-C 3.47Å; Y49-S52 WeakPolarHBondContact O-CB 3.19Å; Y49-S52 PolarHBondContact O-N 3Å; Y49-L53 HydrophobicContact CD1-CD1 3.74Å; Y49-L53 HydrophobicContact CD1-CG 4.49Å; Y49-L53 HydrophobicContact CE1-CD1 3.69Å; Y49-L53 HydrophobicContact CE1-CG 4.4Å; Y49-L53 WeakPolarHBondContact O-CB 3.35Å; Y49-L53 PolarHBondContact O-N 2.7Å
50	F	33.6	Very low	38.8	Very low	146 Å²	146	87 Å²	87	64%	0.64	45%	0.452	S	S	*	.	H	α-helix	trans	-64.3	-37.5	171.2	-96	-84.1	0	0	0	112.2	S46 I48 L53 V54	S46-F50 WeakPolarHBondContact O-CB 3.21Å; S46-F50 PolarHBondContact O-N 3.47Å; I48-F50 PolarHBondContact O-N 3.38Å; F50-L53 PolarHBondContact O-N 2.97Å; F50-V54 WeakPolarHBondContact O-CG2 3.3Å; F50-V54 PolarHBondContact O-N 2.97Å
51	K	37.8	Very low	39	Very low	130 Å²	130	84.7 Å²	84.7	57%	0.565	45%	0.448	S	S	*	.	H	α-helix	trans	-67.9	-36.2	171.7	-73	166.2	-175.8	158.7	0	111.7	S47 I48 Y49 L55	S47-K51 WeakPolarHBondContact O-CB 3.34Å; S47-K51 WeakPolarHBondContact O-CD 3.35Å; S47-K51 VanDerWaalsContact O-CG 3.25Å; S47-K51 WeakPolarHBondContact O-CG 3.22Å; S47-K51 PolarHBondContact O-N 3.04Å; S47-K51 PolarHBondContact OG-NZ 3.3Å; I48-K51 CarbonylContact O-C 3.58Å; I48-K51 WeakPolarHBondContact O-CA 3.29Å; I48-K51 WeakPolarHBondContact O-CB 3.45Å; I48-K51 PolarHBondContact O-N 2.76Å; Y49-K51 VanDerWaalsContact C-N 3.35Å; K51-L55 WeakPolarHBondContact O-CB 3.47Å; K51-L55 WeakPolarHBondContact O-CD1 3.37Å; K51-L55 VanDerWaalsContact O-CG 3.23Å; K51-L55 WeakPolarHBondContact O-CG 3.47Å; K51-L55 PolarHBondContact O-N 3.14Å
52	S	41	Very low	39.1	Very low	13 Å²	13	80.3 Å²	80.3	9%	0.091	42%	0.424	C	S	.	.	H	α-helix	trans	-66.4	-37.2	174.2	-64.2	0	0	0	0	112.1	I48 Y49 H56	I48-S52 PolarHBondContact O-N 2.85Å; I48-S52 PolarHBondContact O-OG 3.46Å; I48-S52 VanDerWaalsContact O-OG 3.14Å; Y49-S52 CarbonylContact O-C 3.47Å; Y49-S52 WeakPolarHBondContact O-CB 3.19Å; Y49-S52 PolarHBondContact O-N 3Å; S52-H56 WeakPolarHBondContact O-CB 3.31Å; S52-H56 PolarHBondContact O-N 3.1Å
53	L	39.8	Very low	39.1	Very low	77 Å²	77	81.7 Å²	81.7	40%	0.403	43%	0.433	S	S	.	.	H	α-helix	trans	-68	-51.2	174.3	-85	162.1	0	0	0	111.6	Y49 F50 L55 H56 D57	Y49-L53 HydrophobicContact CD1-CD1 3.74Å; Y49-L53 HydrophobicContact CD1-CG 4.49Å; Y49-L53 HydrophobicContact CE1-CD1 3.69Å; Y49-L53 HydrophobicContact CE1-CG 4.4Å; Y49-L53 WeakPolarHBondContact O-CB 3.35Å; Y49-L53 PolarHBondContact O-N 2.7Å; F50-L53 PolarHBondContact O-N 2.97Å; L53-L55 PolarHBondContact O-N 3.46Å; L53-H56 WeakPolarHBondContact O-CA 3.09Å; L53-H56 VanDerWaalsContact O-CB 3.3Å; L53-H56 WeakPolarHBondContact O-CB 3.44Å; L53-H56 PolarHBondContact O-N 2.82Å; L53-D57 PolarHBondContact O-N 3.49Å
54	V	39.3	Very low	39.5	Very low	84 Å²	84	82 Å²	82	51%	0.509	44%	0.44	S	S	.	.	H	α-helix	trans	-60.2	-36.5	174.9	172.5	0	0	0	0	111.1	F50 N58	F50-V54 WeakPolarHBondContact O-CG2 3.3Å; F50-V54 PolarHBondContact O-N 2.97Å; V54-N58 PolarHBondContact O-N 2.86Å; V54-N58 PolarHBondContact O-ND2 3.22Å
55	L	42	Very low	39.7	Very low	23 Å²	23	88.4 Å²	88.4	12%	0.12	46%	0.461	C	S	.	.	H	α-helix	trans	-69.8	-34.4	171.1	-77.4	164.4	0	0	0	112.4	K51 L53 N58 L59 I79 L106 L108	K51-L55 WeakPolarHBondContact O-CB 3.47Å; K51-L55 WeakPolarHBondContact O-CD1 3.37Å; K51-L55 VanDerWaalsContact O-CG 3.23Å; K51-L55 WeakPolarHBondContact O-CG 3.47Å; K51-L55 PolarHBondContact O-N 3.14Å; L53-L55 PolarHBondContact O-N 3.46Å; L55-N58 CarbonylContact O-C 3.57Å; L55-N58 PolarHBondContact O-N 3.18Å; L55-L59 HydrophobicContact CB-CD1 4.47Å; L55-L59 WeakPolarHBondContact O-CB 3.2Å; L55-L59 WeakPolarHBondContact O-CD1 3.44Å; L55-L59 WeakPolarHBondContact O-CG 3.33Å; L55-L59 PolarHBondContact O-N 3.24Å; L55-I79 HydrophobicContact CD1-CD1 3.96Å; L55-I79 HydrophobicContact CD1-CG1 4.31Å; L55-I79 HydrophobicContact CD1-CG2 4.34Å; L55-L106 HydrophobicContact CD2-CB 4.4Å; L55-L108 HydrophobicContact CD1-CD2 4.36Å; L55-L108 HydrophobicContact CD2-CD1 3.97Å; L55-L108 HydrophobicContact CD2-CD2 4.12Å; L55-L108 HydrophobicContact CD2-CG 4.19Å
56	H	41.7	Very low	40	Very low	99 Å²	99	93.1 Å²	93.1	46%	0.458	48%	0.476	S	S	.	.	H	α-helix	trans	-61.3	-48.9	174.6	-117.1	-92.6	0	0	0	111.2	S52 L53 N58 L59 I60	S52-H56 WeakPolarHBondContact O-CB 3.31Å; S52-H56 PolarHBondContact O-N 3.1Å; L53-H56 WeakPolarHBondContact O-CA 3.09Å; L53-H56 VanDerWaalsContact O-CB 3.3Å; L53-H56 WeakPolarHBondContact O-CB 3.44Å; L53-H56 PolarHBondContact O-N 2.82Å; H56-N58 VanDerWaalsContact C-N 3.29Å; H56-N58 PolarHBondContact O-N 3.21Å; H56-L59 CarbonylContact O-C 3.57Å; H56-L59 PolarHBondContact O-N 3.24Å; H56-I60 WeakPolarHBondContact O-CB 3.39Å; H56-I60 WeakPolarHBondContact O-CD1 3.46Å; H56-I60 WeakPolarHBondContact O-CG1 3.38Å; H56-I60 PolarHBondContact O-N 3.47Å
57	D	39.1	Very low	40.6	Very low	97 Å²	97	92.7 Å²	92.7	52%	0.519	47%	0.471	S	S	.	.	H	α-helix	trans	-61.1	-39.1	177.5	-66.5	-27.9	0	0	0	111.8	L53 L59 N61	L53-D57 PolarHBondContact O-N 3.49Å; D57-L59 VanDerWaalsContact C-N 3.34Å; D57-N61 PolarHBondContact O-N 2.88Å; D57-N61 VanDerWaalsContact O-N 3.13Å; D57-N61 PolarHBondContact O-ND2 2.87Å
58	N	38.3	Very low	41.4	Very low	70 Å²	70	95.5 Å²	95.5	37%	0.374	48%	0.482	S	S	.	.	H	α-helix	trans	-75.8	-18.9	176.4	-75.6	-87.3	0	0	0	113.7	V54 L55 H56 L106	V54-N58 PolarHBondContact O-N 2.86Å; V54-N58 PolarHBondContact O-ND2 3.22Å; L55-N58 CarbonylContact O-C 3.57Å; L55-N58 PolarHBondContact O-N 3.18Å; H56-N58 VanDerWaalsContact C-N 3.29Å; H56-N58 PolarHBondContact O-N 3.21Å; N58-L106 HydrophobicContact CB-CD2 3.64Å; N58-L106 WeakPolarHBondContact O-CD2 3.34Å
59	L	41.3	Very low	41.9	Very low	17 Å²	17	95.5 Å²	95.5	9%	0.089	49%	0.488	C	S	.	.	H	α-helix	trans	-89.4	-28.9	173.4	-74.2	167.3	0	0	0	112.4	L55 H56 D57 L62 F72 L76 L106	L55-L59 HydrophobicContact CB-CD1 4.47Å; L55-L59 WeakPolarHBondContact O-CB 3.2Å; L55-L59 WeakPolarHBondContact O-CD1 3.44Å; L55-L59 WeakPolarHBondContact O-CG 3.33Å; L55-L59 PolarHBondContact O-N 3.24Å; H56-L59 CarbonylContact O-C 3.57Å; H56-L59 PolarHBondContact O-N 3.24Å; D57-L59 VanDerWaalsContact C-N 3.34Å; L59-L62 HydrophobicContact CD2-CD2 4.07Å; L59-L62 VanDerWaalsContact O-CB 3.28Å; L59-L62 WeakPolarHBondContact O-CB 3.22Å; L59-L62 PolarHBondContact O-N 3.12Å; L59-F72 HydrophobicContact CB-CE2 4.22Å; L59-F72 HydrophobicContact CD1-CE2 4.38Å; L59-F72 HydrophobicContact CD2-CD2 4.24Å; L59-F72 HydrophobicContact CD2-CE2 3.86Å; L59-F72 HydrophobicContact CG-CE2 4.38Å; L59-L76 HydrophobicContact CD1-CD2 4.09Å; L59-L106 HydrophobicContact CD2-CD1 3.74Å; L59-L106 HydrophobicContact CD2-CD2 4.24Å; L59-L106 HydrophobicContact CG-CD1 4.45Å; L59-L106 HydrophobicContact CG-CD2 4.37Å
60	I	44.2	Very low	42.6	Very low	117 Å²	117	91.3 Å²	91.3	60%	0.6	48%	0.482	S	S	*	.	H	α-helix	trans	-71.5	-36.4	172.9	-70.9	163	0	0	0	110.1	H56 L62	H56-I60 WeakPolarHBondContact O-CB 3.39Å; H56-I60 WeakPolarHBondContact O-CD1 3.46Å; H56-I60 WeakPolarHBondContact O-CG1 3.38Å; H56-I60 PolarHBondContact O-N 3.47Å; I60-L62 PolarHBondContact O-N 3.39Å
61	N	38.7	Very low	43.6	Very low	119 Å²	119	84.4 Å²	84.4	64%	0.636	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	5.6	170.3	-73.2	-73.4	0	0	0	113.9	D57 D63	D57-N61 PolarHBondContact O-N 2.88Å; D57-N61 VanDerWaalsContact O-N 3.13Å; D57-N61 PolarHBondContact O-ND2 2.87Å; N61-D63 PolarHBondContact O-N 3.18Å
62	L	41.8	Very low	44.4	Very low	25 Å²	25	82 Å²	82	13%	0.131	44%	0.441	C	S	.	.	S	Bend	trans	-90.6	103.8	178.6	-159.2	69.4	0	0	0	109.5	L59 I60 T64 V67 Y105	L59-L62 HydrophobicContact CD2-CD2 4.07Å; L59-L62 VanDerWaalsContact O-CB 3.28Å; L59-L62 WeakPolarHBondContact O-CB 3.22Å; L59-L62 PolarHBondContact O-N 3.12Å; I60-L62 PolarHBondContact O-N 3.39Å; L62-T64 PolarHBondContact O-N 3.1Å; L62-V67 HydrophobicContact CD2-CG2 3.8Å; L62-V67 HydrophobicContact CG-CG2 4.17Å; L62-Y105 HydrophobicContact CD1-CD1 3.53Å; L62-Y105 HydrophobicContact CD1-CE1 3.82Å; L62-Y105 HydrophobicContact CD1-CG 4.25Å
63	D	38.6	Very low	45.1	Very low	118 Å²	118	90.6 Å²	90.6	63%	0.631	47%	0.471	S	S	*	.			trans	-52.4	122.2	-167.1	-160.6	-10.2	0	0	0	113.1	N61 E65 M66	N61-D63 PolarHBondContact O-N 3.18Å; D63-E65 PolarHBondContact O-N 2.92Å; D63-M66 PolarHBondContact O-N 3.16Å
64	T	44.4	Very low	46	Very low	130 Å²	130	88.5 Å²	88.5	80%	0.798	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.2	-160.2	57	0	0	0	0	114.7	L62	L62-T64 PolarHBondContact O-N 3.1Å
65	E	41.6	Very low	46.7	Very low	188 Å²	188	84.7 Å²	84.7	88%	0.879	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-18.1	173.3	-59.9	-158.9	149.4	0	0	113.6	D63	D63-E65 PolarHBondContact O-N 2.92Å
66	M	42.1	Very low	47.4	Very low	152 Å²	152	85.9 Å²	85.9	75%	0.749	44%	0.443	S	S	*	.	S	Bend	trans	-95.5	-14.3	-169.7	-79.7	-147.9	64	0	0	116.5	D63	D63-M66 PolarHBondContact O-N 3.16Å
67	V	49.6	Very low	48	Very low	36 Å²	36	83.4 Å²	83.4	22%	0.218	43%	0.433	C	S	.	.	S	Bend	trans	-122.6	110.3	-174.5	-176.3	0	0	0	0	112.2	L62 V71 F72	L62-V67 HydrophobicContact CD2-CG2 3.8Å; L62-V67 HydrophobicContact CG-CG2 4.17Å; V67-V71 HydrophobicContact CG1-CB 4.09Å; V67-V71 HydrophobicContact CG1-CG1 4.2Å; V67-F72 HydrophobicContact CG1-CB 4.22Å
68	N	53.4	Low	48.8	Very low	114 Å²	114	80.4 Å²	80.4	61%	0.61	42%	0.415	S	S	*	.			trans	-51.7	129	172.6	-116.7	-58.7	0	0	0	110.9	S70 V71 F72	N68-S70 PolarHBondContact O-N 3.33Å; N68-V71 HydrophobicContact CB-CG2 4.02Å; N68-V71 WeakPolarHBondContact O-CA 3.23Å; N68-V71 WeakPolarHBondContact O-CB 3.42Å; N68-V71 PolarHBondContact O-N 3.19Å; N68-F72 PolarHBondContact O-N 2.78Å
69	P	52.5	Low	49.5	Very low	96 Å²	96	79.2 Å²	79.2	62%	0.623	41%	0.408	S	S	*	.	H	α-helix	trans	-56.9	-24.7	-175.2	-30	36	0	0	0	115.3	R73	P69-R73 PolarHBondContact O-N 2.94Å; P69-R73 VanDerWaalsContact O-N 3.12Å
70	S	53.3	Low	49.9	Very low	67 Å²	67	85.4 Å²	85.4	47%	0.469	43%	0.432	S	S	.	.	H	α-helix	trans	-66.3	-38.9	171.9	-172.4	0	0	0	0	112.8	N68 R73 Q74	N68-S70 PolarHBondContact O-N 3.33Å; S70-R73 PolarHBondContact O-N 3.04Å; S70-Q74 WeakPolarHBondContact O-CG 3.44Å; S70-Q74 PolarHBondContact O-N 3.29Å; S70-Q74 VanDerWaalsContact O-N 3.1Å; S70-Q74 PolarHBondContact O-NE2 3.5Å; S70-Q74 PolarHBondContact OG-NE2 2.73Å
71	V	55	Low	50.4	Low	1 Å²	1	83.3 Å²	83.3	1%	0.006	42%	0.424	C	S	.	.	H	α-helix	trans	-68.8	-43.1	176.8	-179.6	0	0	0	0	110.2	V67 N68 R73 Q74 V75 N95 A98 L99	V67-V71 HydrophobicContact CG1-CB 4.09Å; V67-V71 HydrophobicContact CG1-CG1 4.2Å; N68-V71 HydrophobicContact CB-CG2 4.02Å; N68-V71 WeakPolarHBondContact O-CA 3.23Å; N68-V71 WeakPolarHBondContact O-CB 3.42Å; N68-V71 PolarHBondContact O-N 3.19Å; V71-R73 PolarHBondContact O-N 3.46Å; V71-Q74 PolarHBondContact O-N 3.49Å; V71-Q74 VanDerWaalsContact O-N 3.12Å; V71-V75 WeakPolarHBondContact O-CG2 3.43Å; V71-V75 PolarHBondContact O-N 3.24Å; V71-N95 HydrophobicContact CG2-CB 4.48Å; V71-N95 WeakPolarHBondContact CG2-OD1 3.46Å; V71-A98 HydrophobicContact CG1-CB 4.45Å; V71-A98 HydrophobicContact CG2-CB 4.48Å; V71-L99 HydrophobicContact CG1-CB 3.93Å; V71-L99 HydrophobicContact CG1-CD1 4.13Å; V71-L99 HydrophobicContact CG1-CG 3.99Å
72	F	54.6	Low	51	Low	78 Å²	78	80.2 Å²	80.2	34%	0.342	42%	0.42	S	S	.	.	H	α-helix	trans	-57.2	-45.9	174.9	-175.2	-92.9	0	0	0	111.9	L59 V67 N68 Q74 V75 L76	L59-F72 HydrophobicContact CB-CE2 4.22Å; L59-F72 HydrophobicContact CD1-CE2 4.38Å; L59-F72 HydrophobicContact CD2-CD2 4.24Å; L59-F72 HydrophobicContact CD2-CE2 3.86Å; L59-F72 HydrophobicContact CG-CE2 4.38Å; V67-F72 HydrophobicContact CG1-CB 4.22Å; N68-F72 PolarHBondContact O-N 2.78Å; F72-Q74 PolarHBondContact O-N 3.31Å; F72-V75 PolarHBondContact O-N 3.4Å; F72-L76 HydrophobicContact CD1-CD1 3.94Å; F72-L76 HydrophobicContact CD1-CG 4.42Å; F72-L76 HydrophobicContact CE1-CD1 3.46Å; F72-L76 VanDerWaalsContact CE1-CD1 3.46Å; F72-L76 HydrophobicContact CE1-CG 4.17Å; F72-L76 HydrophobicContact CZ-CD1 4.15Å; F72-L76 PolarHBondContact O-N 3.39Å
73	R	56.5	Low	51.3	Low	194 Å²	194	86.3 Å²	86.3	73%	0.732	45%	0.446	S	S	*	.	H	α-helix	trans	-61	-39.6	173.9	-76.2	-176.6	178.1	171.6	0.9	113.1	P69 S70 V71 V75 L76 D77	P69-R73 PolarHBondContact O-N 2.94Å; P69-R73 VanDerWaalsContact O-N 3.12Å; S70-R73 PolarHBondContact O-N 3.04Å; V71-R73 PolarHBondContact O-N 3.46Å; R73-V75 VanDerWaalsContact C-N 3.34Å; R73-L76 PolarHBondContact O-N 3.05Å; R73-D77 VanDerWaalsContact O-CB 3.27Å; R73-D77 WeakPolarHBondContact O-CB 3.19Å; R73-D77 PolarHBondContact O-N 3.23Å
74	Q	57.6	Low	52.1	Low	33 Å²	33	82.5 Å²	82.5	15%	0.154	43%	0.425	C	S	.	.	H	α-helix	trans	-67.5	-32.4	176.9	-71.2	168.1	46	0	0	112.9	S70 V71 F72 F78 L99	S70-Q74 WeakPolarHBondContact O-CG 3.44Å; S70-Q74 PolarHBondContact O-N 3.29Å; S70-Q74 VanDerWaalsContact O-N 3.1Å; S70-Q74 PolarHBondContact O-NE2 3.5Å; S70-Q74 PolarHBondContact OG-NE2 2.73Å; V71-Q74 PolarHBondContact O-N 3.49Å; V71-Q74 VanDerWaalsContact O-N 3.12Å; F72-Q74 PolarHBondContact O-N 3.31Å; Q74-F78 WeakPolarHBondContact O-CB 3.49Å; Q74-F78 PolarHBondContact O-N 3.5Å; Q74-F78 VanDerWaalsContact O-N 3.12Å; Q74-L99 HydrophobicContact CB-CD1 3.72Å
75	V	55.4	Low	52.2	Low	5 Å²	5	82.4 Å²	82.4	3%	0.03	42%	0.419	C	S	.	.	H	α-helix	trans	-67.2	-48.3	172.8	172.9	0	0	0	0	110.6	V71 F72 R73 F78 I79 L99 L106 L111	V71-V75 WeakPolarHBondContact O-CG2 3.43Å; V71-V75 PolarHBondContact O-N 3.24Å; F72-V75 PolarHBondContact O-N 3.4Å; R73-V75 VanDerWaalsContact C-N 3.34Å; V75-F78 PolarHBondContact O-N 3.06Å; V75-I79 HydrophobicContact CG1-CD1 3.75Å; V75-I79 WeakPolarHBondContact O-CD1 3.19Å; V75-I79 VanDerWaalsContact O-CG1 3.29Å; V75-I79 WeakPolarHBondContact O-CG1 3.27Å; V75-I79 PolarHBondContact O-N 3.4Å; V75-L99 HydrophobicContact CG2-CD1 4.17Å; V75-L99 HydrophobicContact CG2-CD2 3.96Å; V75-L99 HydrophobicContact CG2-CG 3.71Å; V75-L106 HydrophobicContact CG1-CD1 4.45Å; V75-L111 HydrophobicContact CG1-CD2 4.45Å
76	L	54.9	Low	52.5	Low	48 Å²	48	77.5 Å²	77.5	25%	0.251	41%	0.406	S	S	.	.	H	α-helix	trans	-62.4	-45.1	176.6	-68.7	-177.9	0	0	0	112.4	L59 F72 R73 F78 I79 Y80	L59-L76 HydrophobicContact CD1-CD2 4.09Å; F72-L76 HydrophobicContact CD1-CD1 3.94Å; F72-L76 HydrophobicContact CD1-CG 4.42Å; F72-L76 HydrophobicContact CE1-CD1 3.46Å; F72-L76 VanDerWaalsContact CE1-CD1 3.46Å; F72-L76 HydrophobicContact CE1-CG 4.17Å; F72-L76 HydrophobicContact CZ-CD1 4.15Å; F72-L76 PolarHBondContact O-N 3.39Å; R73-L76 PolarHBondContact O-N 3.05Å; L76-F78 VanDerWaalsContact C-N 3.29Å; L76-F78 PolarHBondContact O-N 2.98Å; L76-I79 HydrophobicContact CD2-CD1 4.44Å; L76-I79 PolarHBondContact O-N 3.35Å; L76-Y80 HydrophobicContact CD2-CE2 4.46Å; L76-Y80 VanDerWaalsContact O-CD2 3.29Å; L76-Y80 WeakPolarHBondContact O-CD2 3.07Å; L76-Y80 PolarHBondContact O-N 3.22Å
77	D	55.4	Low	52.5	Low	46 Å²	46	74.4 Å²	74.4	25%	0.246	40%	0.399	C	S	.	.	H	α-helix	trans	-60.3	-38.4	178.2	-175.2	55.6	0	0	0	111.8	R73 T81 L85	R73-D77 VanDerWaalsContact O-CB 3.27Å; R73-D77 WeakPolarHBondContact O-CB 3.19Å; R73-D77 PolarHBondContact O-N 3.23Å; D77-T81 WeakPolarHBondContact O-CB 3.31Å; D77-T81 WeakPolarHBondContact O-CG2 3.49Å; D77-T81 PolarHBondContact O-N 3.3Å; D77-T81 PolarHBondContact O-OG1 3.31Å; D77-T81 WeakPolarHBondContact OD1-CG2 3.38Å; D77-L85 VanDerWaalsContact OD2-CD1 3.32Å; D77-L85 WeakPolarHBondContact OD2-CD1 3.49Å; D77-L85 VanDerWaalsContact OD2-CG 3.25Å; D77-L85 WeakPolarHBondContact OD2-CG 3.4Å
78	F	55.8	Low	52.4	Low	35 Å²	35	77.5 Å²	77.5	15%	0.154	42%	0.422	C	S	.	.	H	α-helix	trans	-65.4	-42.3	171	176.9	-99.7	0	0	0	113	Q74 V75 L76 Y80 G82 K83 L84 L111 L114	Q74-F78 WeakPolarHBondContact O-CB 3.49Å; Q74-F78 PolarHBondContact O-N 3.5Å; Q74-F78 VanDerWaalsContact O-N 3.12Å; V75-F78 PolarHBondContact O-N 3.06Å; L76-F78 VanDerWaalsContact C-N 3.29Å; L76-F78 PolarHBondContact O-N 2.98Å; F78-Y80 VanDerWaalsContact C-N 3.34Å; F78-Y80 PolarHBondContact O-N 2.96Å; F78-G82 WeakPolarHBondContact O-CA 3.44Å; F78-G82 PolarHBondContact O-N 2.87Å; F78-K83 WeakPolarHBondContact CA-O 3Å; F78-L84 HydrophobicContact CB-CD1 3.82Å; F78-L84 HydrophobicContact CD2-CD1 3.61Å; F78-L84 HydrophobicContact CE2-CD1 4.42Å; F78-L84 HydrophobicContact CG-CD1 3.83Å; F78-L111 HydrophobicContact CB-CD1 4.49Å; F78-L111 HydrophobicContact CD1-CB 4.16Å; F78-L111 HydrophobicContact CD1-CD1 3.66Å; F78-L111 HydrophobicContact CD1-CD2 3.94Å; F78-L111 HydrophobicContact CD1-CG 4.12Å; F78-L111 HydrophobicContact CD2-CD1 4.34Å; F78-L111 HydrophobicContact CE1-CB 3.77Å; F78-L111 HydrophobicContact CE1-CD1 3.91Å; F78-L111 HydrophobicContact CE1-CD2 4.38Å; F78-L111 HydrophobicContact CE1-CG 4.22Å; F78-L111 HydrophobicContact CG-CD1 3.88Å; F78-L111 HydrophobicContact CZ-CB 4.44Å; F78-L111 HydrophobicContact CZ-CD1 4.34Å; F78-L114 HydrophobicContact CE2-CD1 3.62Å; F78-L114 HydrophobicContact CZ-CD1 3.72Å
79	I	53.8	Low	51.7	Low	44 Å²	44	77.3 Å²	77.3	23%	0.226	42%	0.421	C	S	.	.	H	α-helix	trans	-62.1	-41.2	179	-69.7	158.3	0	0	0	111.2	L55 V75 L76	L55-I79 HydrophobicContact CD1-CD1 3.96Å; L55-I79 HydrophobicContact CD1-CG1 4.31Å; L55-I79 HydrophobicContact CD1-CG2 4.34Å; V75-I79 HydrophobicContact CG1-CD1 3.75Å; V75-I79 WeakPolarHBondContact O-CD1 3.19Å; V75-I79 VanDerWaalsContact O-CG1 3.29Å; V75-I79 WeakPolarHBondContact O-CG1 3.27Å; V75-I79 PolarHBondContact O-N 3.4Å; L76-I79 HydrophobicContact CD2-CD1 4.44Å; L76-I79 PolarHBondContact O-N 3.35Å
80	Y	48.4	Very low	51.3	Low	148 Å²	148	82.4 Å²	82.4	58%	0.58	44%	0.437	S	S	*	.	H	α-helix	trans	-87.1	-29.9	-177.2	-74	-70.1	0	0	0	114.7	L76 F78	L76-Y80 HydrophobicContact CD2-CE2 4.46Å; L76-Y80 VanDerWaalsContact O-CD2 3.29Å; L76-Y80 WeakPolarHBondContact O-CD2 3.07Å; L76-Y80 PolarHBondContact O-N 3.22Å; F78-Y80 VanDerWaalsContact C-N 3.34Å; F78-Y80 PolarHBondContact O-N 2.96Å
81	T	54.8	Low	51.1	Low	72 Å²	72	82.7 Å²	82.7	44%	0.442	44%	0.438	S	S	.	.	H	α-helix	trans	-109.4	-12.2	-176.3	76.6	0	0	0	0	114.8	D77 K83	D77-T81 WeakPolarHBondContact O-CB 3.31Å; D77-T81 WeakPolarHBondContact O-CG2 3.49Å; D77-T81 PolarHBondContact O-N 3.3Å; D77-T81 PolarHBondContact O-OG1 3.31Å; D77-T81 WeakPolarHBondContact OD1-CG2 3.38Å; T81-K83 PolarHBondContact O-N 3.5Å; T81-K83 PolarHBondContact OG1-N 3.41Å; T81-K83 PolarHBondContact OG1-O 2.98Å
82	G	50.7	Low	50.9	Low	54 Å²	54	84.4 Å²	84.4	56%	0.557	45%	0.451	S	S	*	.	S	Bend	trans	69.4	9.2	-172.9	0	0	0	0	0	114.6	F78	F78-G82 WeakPolarHBondContact O-CA 3.44Å; F78-G82 PolarHBondContact O-N 2.87Å
83	K	49.3	Very low	50.9	Low	154 Å²	154	84.8 Å²	84.8	67%	0.67	45%	0.454	S	S	*	.	S	Bend	trans	-130.8	140.3	-174.3	-64.4	170.9	-174.5	170	0	110	F78 T81	F78-K83 WeakPolarHBondContact CA-O 3Å; T81-K83 PolarHBondContact O-N 3.5Å; T81-K83 PolarHBondContact OG1-N 3.41Å; T81-K83 PolarHBondContact OG1-O 2.98Å
84	L	56	Low	50.6	Low	37 Å²	37	83.5 Å²	83.5	19%	0.194	46%	0.456	C	S	.	.			trans	-86.6	113.8	160.3	-100.8	88.1	0	0	0	108.4	F78 S86 F96 L99 L111	F78-L84 HydrophobicContact CB-CD1 3.82Å; F78-L84 HydrophobicContact CD2-CD1 3.61Å; F78-L84 HydrophobicContact CE2-CD1 4.42Å; F78-L84 HydrophobicContact CG-CD1 3.83Å; L84-S86 PolarHBondContact O-N 3Å; L84-F96 HydrophobicContact CD2-CD1 4.36Å; L84-F96 HydrophobicContact CD2-CE1 3.75Å; L84-L99 HydrophobicContact CD2-CD1 4.26Å; L84-L111 HydrophobicContact CD1-CD1 3.67Å
85	L	46.5	Very low	50.6	Low	128 Å²	128	83.5 Å²	83.5	67%	0.67	46%	0.457	S	S	*	.			trans	-53.3	123.7	164.2	-74.8	174.8	0	0	0	109.4	D77 S87	D77-L85 VanDerWaalsContact OD2-CD1 3.32Å; D77-L85 WeakPolarHBondContact OD2-CD1 3.49Å; D77-L85 VanDerWaalsContact OD2-CG 3.25Å; D77-L85 WeakPolarHBondContact OD2-CG 3.4Å; L85-S87 PolarHBondContact O-N 3.13Å
86	S	47.4	Very low	50.8	Low	85 Å²	85	84.5 Å²	84.5	59%	0.594	46%	0.461	S	S	*	.			trans	-93.6	86.3	-179.9	-65.3	0	0	0	0	108.9	L84 S88 K118	L84-S86 PolarHBondContact O-N 3Å; S86-S88 PolarHBondContact O-N 3.23Å; S86-K118 PolarHBondContact OG-NZ 3.3Å
87	S	42.2	Very low	51	Low	87 Å²	87	85.1 Å²	85.1	61%	0.608	47%	0.469	S	S	*	.			trans	-58.3	129.6	161.5	43.2	0	0	0	0	109.1	L85 D89	L85-S87 PolarHBondContact O-N 3.13Å; S87-D89 PolarHBondContact O-N 2.84Å
88	S	46.3	Very low	51.2	Low	101 Å²	101	84.9 Å²	84.9	71%	0.706	47%	0.474	S	S	*	.			trans	-57.8	123.1	150.4	177.8	0	0	0	0	106.6	S86	S86-S88 PolarHBondContact O-N 3.23Å
89	D	38.9	Very low	51.5	Low	111 Å²	111	83.2 Å²	83.2	59%	0.594	47%	0.466	S	S	*	.	S	Bend		174.1	167.6	125.3	-82.1	-7.5	0	0	0	110.7	S87 S91 S92	S87-D89 PolarHBondContact O-N 2.84Å; D89-S91 PolarHBondContact O-N 2.94Å; D89-S92 PolarHBondContact O-N 3.04Å
90	Q	44.9	Very low	52	Low	203 Å²	203	82.5 Å²	82.5	95%	0.949	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	1.2	-169.1	-69	175.2	-28	0	0	114.7	S92	Q90-S92 PolarHBondContact O-N 2.91Å
91	S	47.9	Very low	52.6	Low	72 Å²	72	79.8 Å²	79.8	50%	0.503	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-3.3	172.1	62.6	0	0	0	0	114.1	D89 E93 N95	D89-S91 PolarHBondContact O-N 2.94Å; S91-E93 PolarHBondContact O-N 3.18Å; S91-N95 PolarHBondContact O-ND2 2.62Å
92	S	52.4	Low	52.7	Low	38 Å²	38	76.6 Å²	76.6	27%	0.266	44%	0.443	S	S	.	.	H	α-helix	trans	-66.7	-31.7	-163.6	63.8	0	0	0	0	116.2	D89 Q90 N95 F96	D89-S92 PolarHBondContact O-N 3.04Å; Q90-S92 PolarHBondContact O-N 2.91Å; S92-N95 PolarHBondContact O-N 2.93Å; S92-F96 WeakPolarHBondContact O-CD2 3.48Å; S92-F96 WeakPolarHBondContact O-CG 3.4Å; S92-F96 PolarHBondContact O-N 3.46Å
93	E	53.1	Low	53.1	Low	86 Å²	86	74.1 Å²	74.1	40%	0.402	42%	0.417	S	S	.	.	H	α-helix	trans	-69.3	-40.5	-176.2	-66.8	-156.4	130.6	0	0	113.6	S91 N95 F96 S97 L119 S122 S123	S91-E93 PolarHBondContact O-N 3.18Å; E93-N95 VanDerWaalsContact C-N 3.34Å; E93-F96 PolarHBondContact O-N 3.33Å; E93-S97 WeakPolarHBondContact O-CB 3.11Å; E93-S97 PolarHBondContact O-N 3.45Å; E93-L119 HydrophobicContact CB-CD1 4.19Å; E93-L119 HydrophobicContact CG-CD1 4.18Å; E93-S122 WeakPolarHBondContact OE1-CB 3.42Å; E93-S122 PolarHBondContact OE1-OG 3.26Å; E93-S123 PolarHBondContact OE1-N 3.37Å
94	Q	51.2	Low	53.7	Low	167 Å²	167	69.8 Å²	69.8	78%	0.78	41%	0.406	S	S	*	.	H	α-helix	trans	-64.7	-41.2	174.3	-71.9	-177	-14.3	0	0	111	S97 A98	Q94-S97 PolarHBondContact O-N 3.46Å; Q94-A98 PolarHBondContact O-N 3.32Å
95	N	56.7	Low	53.5	Low	33 Å²	33	74.9 Å²	74.9	18%	0.176	42%	0.424	C	S	.	.	H	α-helix	trans	-62.2	-45.9	175	-72.7	-56.5	0	0	0	111.8	V71 S91 S92 E93 S97 A98 L99	V71-N95 HydrophobicContact CG2-CB 4.48Å; V71-N95 WeakPolarHBondContact CG2-OD1 3.46Å; S91-N95 PolarHBondContact O-ND2 2.62Å; S92-N95 PolarHBondContact O-N 2.93Å; E93-N95 VanDerWaalsContact C-N 3.34Å; N95-S97 VanDerWaalsContact C-N 3.32Å; N95-S97 PolarHBondContact O-N 2.73Å; N95-A98 PolarHBondContact O-N 3.33Å; N95-L99 VanDerWaalsContact O-CB 3.24Å; N95-L99 WeakPolarHBondContact O-CB 3.49Å; N95-L99 PolarHBondContact O-N 2.84Å
96	F	59.7	Low	53.8	Low	25 Å²	25	69.5 Å²	69.5	11%	0.11	40%	0.395	C	S	.	.	H	α-helix	trans	-67.2	-29.2	176.4	-68.4	-45.1	0	0	0	113.5	L84 S92 E93 L100 K118	L84-F96 HydrophobicContact CD2-CD1 4.36Å; L84-F96 HydrophobicContact CD2-CE1 3.75Å; S92-F96 WeakPolarHBondContact O-CD2 3.48Å; S92-F96 WeakPolarHBondContact O-CG 3.4Å; S92-F96 PolarHBondContact O-N 3.46Å; E93-F96 PolarHBondContact O-N 3.33Å; F96-L100 WeakPolarHBondContact O-CB 3.3Å; F96-L100 PolarHBondContact O-N 3.1Å; F96-K118 HydrophobicContact CE2-CD 4.29Å; F96-K118 HydrophobicContact CZ-CD 4.02Å
97	S	60.2	Low	54.2	Low	61 Å²	61	72.4 Å²	72.4	43%	0.427	40%	0.4	S	S	.	.	H	α-helix	trans	-67.8	-49.5	172.6	-168.8	0	0	0	0	111.3	E93 Q94 N95 L99 L100 T101	E93-S97 WeakPolarHBondContact O-CB 3.11Å; E93-S97 PolarHBondContact O-N 3.45Å; Q94-S97 PolarHBondContact O-N 3.46Å; N95-S97 VanDerWaalsContact C-N 3.32Å; N95-S97 PolarHBondContact O-N 2.73Å; S97-L99 VanDerWaalsContact C-N 3.35Å; S97-L99 PolarHBondContact O-N 3.23Å; S97-L100 PolarHBondContact O-N 3.13Å; S97-T101 PolarHBondContact O-N 2.83Å; S97-T101 PolarHBondContact O-OG1 3.33Å
98	A	59.6	Low	55.2	Low	41 Å²	41	70.2 Å²	70.2	34%	0.339	38%	0.381	S	S	.	.	H	α-helix	trans	-60.1	-43.1	174.8	0	0	0	0	0	112.2	V71 Q94 N95 L100 T101 A102	V71-A98 HydrophobicContact CG1-CB 4.45Å; V71-A98 HydrophobicContact CG2-CB 4.48Å; Q94-A98 PolarHBondContact O-N 3.32Å; N95-A98 PolarHBondContact O-N 3.33Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 2.94Å; A98-T101 PolarHBondContact O-N 3.36Å; A98-A102 WeakPolarHBondContact O-CB 3.27Å; A98-A102 PolarHBondContact O-N 3.05Å
99	L	60.8	Low	55.9	Low	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-67.5	-33.1	178.4	-149	153.7	0	0	0	111.6	V71 Q74 V75 L84 N95 S97 A103 L111 C115	V71-L99 HydrophobicContact CG1-CB 3.93Å; V71-L99 HydrophobicContact CG1-CD1 4.13Å; V71-L99 HydrophobicContact CG1-CG 3.99Å; Q74-L99 HydrophobicContact CB-CD1 3.72Å; V75-L99 HydrophobicContact CG2-CD1 4.17Å; V75-L99 HydrophobicContact CG2-CD2 3.96Å; V75-L99 HydrophobicContact CG2-CG 3.71Å; L84-L99 HydrophobicContact CD2-CD1 4.26Å; N95-L99 VanDerWaalsContact O-CB 3.24Å; N95-L99 WeakPolarHBondContact O-CB 3.49Å; N95-L99 PolarHBondContact O-N 2.84Å; S97-L99 VanDerWaalsContact C-N 3.35Å; S97-L99 PolarHBondContact O-N 3.23Å; L99-A103 WeakPolarHBondContact O-CB 3.36Å; L99-A103 PolarHBondContact O-N 3.41Å; L99-L111 HydrophobicContact CD2-CD1 3.71Å; L99-L111 HydrophobicContact CD2-CD2 3.93Å; L99-L111 HydrophobicContact CD2-CG 3.9Å; L99-C115 VanDerWaalsContact CD2-SG 3.51Å
100	L	64.6	Low	56.7	Low	30 Å²	30	72.8 Å²	72.8	16%	0.157	38%	0.382	C	S	.	.	H	α-helix	trans	-68.4	-40.5	171.8	176.7	57.6	0	0	0	112.5	F96 S97 A98 S104 A112 C115 R116	F96-L100 WeakPolarHBondContact O-CB 3.3Å; F96-L100 PolarHBondContact O-N 3.1Å; S97-L100 PolarHBondContact O-N 3.13Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 2.94Å; L100-S104 WeakPolarHBondContact O-CB 3.44Å; L100-S104 PolarHBondContact O-N 2.96Å; L100-S104 PolarHBondContact O-OG 3.05Å; L100-A112 HydrophobicContact CD1-CB 3.74Å; L100-A112 WeakPolarHBondContact CD1-O 3.5Å; L100-C115 HydrophobicContact CB-CB 3.99Å; L100-C115 HydrophobicContact CD1-CB 4.19Å; L100-R116 HydrophobicContact CD1-CG 3.78Å; L100-R116 HydrophobicContact CD2-CG 3.69Å; L100-R116 HydrophobicContact CG-CG 4.42Å
101	T	61.8	Low	57.4	Low	90 Å²	90	63.1 Å²	63.1	55%	0.552	34%	0.337	S	S	*	.	H	α-helix	trans	-63.5	-50.2	175.2	-61.2	0	0	0	0	110.1	S97 A98 A103 S104 Y105	S97-T101 PolarHBondContact O-N 2.83Å; S97-T101 PolarHBondContact O-OG1 3.33Å; A98-T101 PolarHBondContact O-N 3.36Å; T101-A103 PolarHBondContact O-N 2.78Å; T101-S104 PolarHBondContact O-N 3.28Å; T101-S104 VanDerWaalsContact O-N 3.13Å; T101-Y105 PolarHBondContact O-N 3.06Å
102	A	56	Low	58.2	Low	6 Å²	6	59.8 Å²	59.8	5%	0.05	31%	0.314	C	S	.	.	H	α-helix	trans	-58.7	-48.3	176	0	0	0	0	0	111.9	A98 S104 Y105 L106	A98-A102 WeakPolarHBondContact O-CB 3.27Å; A98-A102 PolarHBondContact O-N 3.05Å; A102-S104 PolarHBondContact O-N 3.25Å; A102-Y105 PolarHBondContact O-N 2.99Å; A102-L106 WeakPolarHBondContact O-CB 3.44Å; A102-L106 VanDerWaalsContact O-CG 3.23Å; A102-L106 WeakPolarHBondContact O-CG 3.14Å; A102-L106 PolarHBondContact O-N 3.3Å
103	A	59.7	Low	58.9	Low	1 Å²	1	60.1 Å²	60.1	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-26.7	176.9	0	0	0	0	0	113.7	L99 T101 Q107 L108 L111 A112	L99-A103 WeakPolarHBondContact O-CB 3.36Å; L99-A103 PolarHBondContact O-N 3.41Å; T101-A103 PolarHBondContact O-N 2.78Å; A103-Q107 PolarHBondContact O-N 2.84Å; A103-L108 HydrophobicContact CB-CB 4.33Å; A103-L108 PolarHBondContact O-N 2.61Å; A103-L111 HydrophobicContact CB-CB 4.06Å; A103-L111 HydrophobicContact CB-CD2 3.84Å; A103-L111 HydrophobicContact CB-CG 3.71Å; A103-A112 HydrophobicContact CB-CB 4Å
104	S	61.2	Low	59.4	Low	63 Å²	63	60 Å²	60	44%	0.441	32%	0.321	S	S	.	.	H	α-helix	trans	-80.2	-35.7	174.9	-56	0	0	0	0	112	L100 T101 A102 Q107	L100-S104 WeakPolarHBondContact O-CB 3.44Å; L100-S104 PolarHBondContact O-N 2.96Å; L100-S104 PolarHBondContact O-OG 3.05Å; T101-S104 PolarHBondContact O-N 3.28Å; T101-S104 VanDerWaalsContact O-N 3.13Å; A102-S104 PolarHBondContact O-N 3.25Å; S104-Q107 PolarHBondContact O-N 2.67Å
105	Y	52.2	Low	59.9	Low	145 Å²	145	52.2 Å²	52.2	57%	0.569	28%	0.284	S	S	*	.	H	α-helix	trans	-66	-46.9	174	-167.3	-93.3	0	0	0	111.2	L62 T101 A102 Q107	L62-Y105 HydrophobicContact CD1-CD1 3.53Å; L62-Y105 HydrophobicContact CD1-CE1 3.82Å; L62-Y105 HydrophobicContact CD1-CG 4.25Å; T101-Y105 PolarHBondContact O-N 3.06Å; A102-Y105 PolarHBondContact O-N 2.99Å; Y105-Q107 PolarHBondContact O-N 2.9Å; Y105-Q107 VanDerWaalsContact O-N 3.16Å
106	L	53.4	Low	60.5	Low	14 Å²	14	56.1 Å²	56.1	7%	0.073	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	5.2	176.3	-59.3	172.1	0	0	0	114	L55 N58 L59 V75 A102 L108	L55-L106 HydrophobicContact CD2-CB 4.4Å; N58-L106 HydrophobicContact CB-CD2 3.64Å; N58-L106 WeakPolarHBondContact O-CD2 3.34Å; L59-L106 HydrophobicContact CD2-CD1 3.74Å; L59-L106 HydrophobicContact CD2-CD2 4.24Å; L59-L106 HydrophobicContact CG-CD1 4.45Å; L59-L106 HydrophobicContact CG-CD2 4.37Å; V75-L106 HydrophobicContact CG1-CD1 4.45Å; A102-L106 WeakPolarHBondContact O-CB 3.44Å; A102-L106 VanDerWaalsContact O-CG 3.23Å; A102-L106 WeakPolarHBondContact O-CG 3.14Å; A102-L106 PolarHBondContact O-N 3.3Å; L106-L108 HydrophobicContact CB-CD1 4.02Å; L106-L108 HydrophobicContact CB-CG 4.09Å; L106-L108 HydrophobicContact CD1-CD1 4.19Å; L106-L108 PolarHBondContact O-N 3.03Å
107	Q	56.4	Low	60.9	Low	147 Å²	147	61.3 Å²	61.3	69%	0.687	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	24.2	-178.5	-52.7	-176.4	25.9	0	0	115	A103 S104 Y105 H109	A103-Q107 PolarHBondContact O-N 2.84Å; S104-Q107 PolarHBondContact O-N 2.67Å; Y105-Q107 PolarHBondContact O-N 2.9Å; Y105-Q107 VanDerWaalsContact O-N 3.16Å; Q107-H109 VanDerWaalsContact C-N 3.26Å; Q107-H109 PolarHBondContact O-CD2 3.01Å; Q107-H109 PolarHBondContact O-N 2.98Å
108	L	61.6	Low	61	Low	41 Å²	41	62.6 Å²	62.6	22%	0.215	32%	0.317	C	S	.	.			trans	-78.9	72	177.6	-68.3	170.5	0	0	0	110.7	L55 A103 L106 D110 L111 A112	L55-L108 HydrophobicContact CD1-CD2 4.36Å; L55-L108 HydrophobicContact CD2-CD1 3.97Å; L55-L108 HydrophobicContact CD2-CD2 4.12Å; L55-L108 HydrophobicContact CD2-CG 4.19Å; A103-L108 HydrophobicContact CB-CB 4.33Å; A103-L108 PolarHBondContact O-N 2.61Å; L106-L108 HydrophobicContact CB-CD1 4.02Å; L106-L108 HydrophobicContact CB-CG 4.09Å; L106-L108 HydrophobicContact CD1-CD1 4.19Å; L106-L108 PolarHBondContact O-N 3.03Å; L108-D110 VanDerWaalsContact C-N 3.29Å; L108-D110 PolarHBondContact O-N 3.23Å; L108-L111 HydrophobicContact CB-CB 3.97Å; L108-L111 HydrophobicContact CB-CD2 4.42Å; L108-L111 HydrophobicContact CD1-CD2 3.97Å; L108-L111 PolarHBondContact O-N 2.87Å; L108-L111 VanDerWaalsContact O-N 3.14Å; L108-A112 WeakPolarHBondContact O-CB 3.24Å; L108-A112 PolarHBondContact O-N 3.31Å
109	H	60.9	Low	61.2	Low	136 Å²	136	62.7 Å²	62.7	63%	0.63	31%	0.312	S	S	*	.	H	α-helix	trans	-51.4	-40.7	-173.4	-71.1	-81.5	0	0	0	114.3	Q107 A113	Q107-H109 VanDerWaalsContact C-N 3.26Å; Q107-H109 PolarHBondContact O-CD2 3.01Å; Q107-H109 PolarHBondContact O-N 2.98Å; H109-A113 WeakPolarHBondContact O-CB 3.47Å; H109-A113 PolarHBondContact O-N 2.92Å
110	D	55.5	Low	61.2	Low	129 Å²	129	71.1 Å²	71.1	69%	0.69	35%	0.348	S	S	*	.	H	α-helix	trans	-71.4	-42.1	179.9	-65.5	-48.3	0	0	0	112.9	L108 A113 L114	L108-D110 VanDerWaalsContact C-N 3.29Å; L108-D110 PolarHBondContact O-N 3.23Å; D110-A113 WeakPolarHBondContact O-CB 3.37Å; D110-A113 PolarHBondContact O-N 2.86Å; D110-L114 WeakPolarHBondContact O-CG 3.22Å; D110-L114 PolarHBondContact O-N 3.39Å
111	L	61.2	Low	60.8	Low	1 Å²	1	79.4 Å²	79.4	1%	0.005	38%	0.377	C	S	.	.	H	α-helix	trans	-62.5	-46.9	173.8	179.2	53.3	0	0	0	110.2	V75 F78 L84 L99 A103 L108 A113 L114 C115	V75-L111 HydrophobicContact CG1-CD2 4.45Å; F78-L111 HydrophobicContact CB-CD1 4.49Å; F78-L111 HydrophobicContact CD1-CB 4.16Å; F78-L111 HydrophobicContact CD1-CD1 3.66Å; F78-L111 HydrophobicContact CD1-CD2 3.94Å; F78-L111 HydrophobicContact CD1-CG 4.12Å; F78-L111 HydrophobicContact CD2-CD1 4.34Å; F78-L111 HydrophobicContact CE1-CB 3.77Å; F78-L111 HydrophobicContact CE1-CD1 3.91Å; F78-L111 HydrophobicContact CE1-CD2 4.38Å; F78-L111 HydrophobicContact CE1-CG 4.22Å; F78-L111 HydrophobicContact CG-CD1 3.88Å; F78-L111 HydrophobicContact CZ-CB 4.44Å; F78-L111 HydrophobicContact CZ-CD1 4.34Å; L84-L111 HydrophobicContact CD1-CD1 3.67Å; L99-L111 HydrophobicContact CD2-CD1 3.71Å; L99-L111 HydrophobicContact CD2-CD2 3.93Å; L99-L111 HydrophobicContact CD2-CG 3.9Å; A103-L111 HydrophobicContact CB-CB 4.06Å; A103-L111 HydrophobicContact CB-CD2 3.84Å; A103-L111 HydrophobicContact CB-CG 3.71Å; L108-L111 HydrophobicContact CB-CB 3.97Å; L108-L111 HydrophobicContact CB-CD2 4.42Å; L108-L111 HydrophobicContact CD1-CD2 3.97Å; L108-L111 PolarHBondContact O-N 2.87Å; L108-L111 VanDerWaalsContact O-N 3.14Å; L111-A113 VanDerWaalsContact C-N 3.27Å; L111-A113 PolarHBondContact O-N 3.22Å; L111-L114 PolarHBondContact O-N 2.82Å; L111-L114 VanDerWaalsContact O-N 3.14Å; L111-C115 PolarHBondContact O-N 2.79Å; L111-C115 PolarHBondContact O-SG 3.02Å
112	A	65	Low	60.3	Low	2 Å²	2	77.9 Å²	77.9	2%	0.017	37%	0.37	C	S	.	.	H	α-helix	trans	-61	-35.4	175	0	0	0	0	0	112	L100 A103 L108 R116	L100-A112 HydrophobicContact CD1-CB 3.74Å; L100-A112 WeakPolarHBondContact CD1-O 3.5Å; A103-A112 HydrophobicContact CB-CB 4Å; L108-A112 WeakPolarHBondContact O-CB 3.24Å; L108-A112 PolarHBondContact O-N 3.31Å; A112-R116 VanDerWaalsContact C-CZ 3.49Å; A112-R116 VanDerWaalsContact C-NH2 3.26Å; A112-R116 VanDerWaalsContact CB-NH2 3.32Å; A112-R116 WeakPolarHBondContact O-CB 3.43Å; A112-R116 VanDerWaalsContact O-CG 3.3Å; A112-R116 WeakPolarHBondContact O-CG 3.32Å; A112-R116 PolarHBondContact O-N 3.41Å; A112-R116 PolarHBondContact O-NE 3.17Å; A112-R116 VanDerWaalsContact O-NE 3.12Å
113	A	67	Low	60	Low	45 Å²	45	79.7 Å²	79.7	37%	0.372	38%	0.383	S	S	.	.	H	α-helix	trans	-67.7	-41.4	173.4	0	0	0	0	0	112.4	H109 D110 L111 K117	H109-A113 WeakPolarHBondContact O-CB 3.47Å; H109-A113 PolarHBondContact O-N 2.92Å; D110-A113 WeakPolarHBondContact O-CB 3.37Å; D110-A113 PolarHBondContact O-N 2.86Å; L111-A113 VanDerWaalsContact C-N 3.27Å; L111-A113 PolarHBondContact O-N 3.22Å; A113-K117 VanDerWaalsContact O-CB 3.26Å; A113-K117 WeakPolarHBondContact O-CB 3.49Å; A113-K117 PolarHBondContact O-N 3.37Å
114	L	63.1	Low	59.4	Low	84 Å²	84	83.4 Å²	83.4	44%	0.44	42%	0.421	S	S	.	.	H	α-helix	trans	-64.2	-44.9	174.6	-75.2	166.7	0	0	0	112	F78 D110 L111 K117 K118	F78-L114 HydrophobicContact CE2-CD1 3.62Å; F78-L114 HydrophobicContact CZ-CD1 3.72Å; D110-L114 WeakPolarHBondContact O-CG 3.22Å; D110-L114 PolarHBondContact O-N 3.39Å; L111-L114 PolarHBondContact O-N 2.82Å; L111-L114 VanDerWaalsContact O-N 3.14Å; L114-K117 CarbonylContact O-C 3.54Å; L114-K117 PolarHBondContact O-N 2.89Å; L114-K117 VanDerWaalsContact O-N 3.14Å; L114-K118 PolarHBondContact O-N 3.23Å
115	C	62.3	Low	58.3	Low	2 Å²	2	89.3 Å²	89.3	1%	0.014	44%	0.439	C	S	.	.	H	α-helix	trans	-60.1	-48.4	175	-66.9	0	0	0	0	111.5	L99 L100 L111 K117 K118 L119	L99-C115 VanDerWaalsContact CD2-SG 3.51Å; L100-C115 HydrophobicContact CB-CB 3.99Å; L100-C115 HydrophobicContact CD1-CB 4.19Å; L111-C115 PolarHBondContact O-N 2.79Å; L111-C115 PolarHBondContact O-SG 3.02Å; C115-K117 VanDerWaalsContact C-N 3.26Å; C115-K117 PolarHBondContact O-N 3.17Å; C115-K118 PolarHBondContact O-N 2.86Å; C115-L119 WeakPolarHBondContact O-CB 3.36Å; C115-L119 PolarHBondContact O-N 3.25Å
116	R	68.3	Low	57.4	Low	115 Å²	115	88.2 Å²	88.2	43%	0.434	45%	0.452	S	S	.	.	H	α-helix	trans	-57.2	-37.9	173.2	-75.1	178	-70.5	-110.2	0.7	112.3	L100 A112 K120	L100-R116 HydrophobicContact CD1-CG 3.78Å; L100-R116 HydrophobicContact CD2-CG 3.69Å; L100-R116 HydrophobicContact CG-CG 4.42Å; A112-R116 VanDerWaalsContact C-CZ 3.49Å; A112-R116 VanDerWaalsContact C-NH2 3.26Å; A112-R116 VanDerWaalsContact CB-NH2 3.32Å; A112-R116 WeakPolarHBondContact O-CB 3.43Å; A112-R116 VanDerWaalsContact O-CG 3.3Å; A112-R116 WeakPolarHBondContact O-CG 3.32Å; A112-R116 PolarHBondContact O-N 3.41Å; A112-R116 PolarHBondContact O-NE 3.17Å; A112-R116 VanDerWaalsContact O-NE 3.12Å; R116-K120 WeakPolarHBondContact O-CB 3.42Å; R116-K120 PolarHBondContact O-N 3.39Å
117	K	67.5	Low	56.4	Low	135 Å²	135	95.2 Å²	95.2	59%	0.587	49%	0.489	S	S	*	.	H	α-helix	trans	-76.3	-26	179.7	-166.4	173.3	-175	176.1	0	113.8	A113 L114 C115 R121	A113-K117 VanDerWaalsContact O-CB 3.26Å; A113-K117 WeakPolarHBondContact O-CB 3.49Å; A113-K117 PolarHBondContact O-N 3.37Å; L114-K117 CarbonylContact O-C 3.54Å; L114-K117 PolarHBondContact O-N 2.89Å; L114-K117 VanDerWaalsContact O-N 3.14Å; C115-K117 VanDerWaalsContact C-N 3.26Å; C115-K117 PolarHBondContact O-N 3.17Å; K117-R121 WeakPolarHBondContact O-CD 3.42Å; K117-R121 WeakPolarHBondContact O-CG 3.36Å
118	K	62.7	Low	55.6	Low	87 Å²	87	94.1 Å²	94.1	38%	0.378	50%	0.495	S	S	.	.	H	α-helix	trans	-77.7	-48.8	169.6	-89.8	-104.3	-169.5	165.7	0	111.3	S86 F96 L114 C115 K120 R121 S122	S86-K118 PolarHBondContact OG-NZ 3.3Å; F96-K118 HydrophobicContact CE2-CD 4.29Å; F96-K118 HydrophobicContact CZ-CD 4.02Å; L114-K118 PolarHBondContact O-N 3.23Å; C115-K118 PolarHBondContact O-N 2.86Å; K118-K120 VanDerWaalsContact C-N 3.35Å; K118-K120 PolarHBondContact O-N 3.44Å; K118-R121 WeakPolarHBondContact O-CA 3.49Å; K118-R121 WeakPolarHBondContact O-CB 3.47Å; K118-R121 PolarHBondContact O-N 3.16Å; K118-S122 PolarHBondContact O-N 3.44Å
119	L	63	Low	54.3	Low	43 Å²	43	95.8 Å²	95.8	23%	0.225	52%	0.522	C	S	.	.	H	α-helix	trans	-60.6	-43.4	179.4	-167.8	68	0	0	0	111.3	E93 C115 R121 S122 S123	E93-L119 HydrophobicContact CB-CD1 4.19Å; E93-L119 HydrophobicContact CG-CD1 4.18Å; C115-L119 WeakPolarHBondContact O-CB 3.36Å; C115-L119 PolarHBondContact O-N 3.25Å; L119-R121 PolarHBondContact O-N 3.48Å; L119-S122 PolarHBondContact O-N 3.37Å; L119-S122 PolarHBondContact O-OG 3.45Å; L119-S123 PolarHBondContact O-N 3.41Å; L119-S123 PolarHBondContact O-OG 3.05Å; L119-S123 VanDerWaalsContact O-OG 3.08Å
120	K	61	Low	53	Low	177 Å²	177	98.8 Å²	98.8	77%	0.77	53%	0.533	S	S	*	.	H	α-helix	trans	-67.8	1	173.9	-161.3	169.7	-176.5	175.8	0	114.5	R116 K118	R116-K120 WeakPolarHBondContact O-CB 3.42Å; R116-K120 PolarHBondContact O-N 3.39Å; K118-K120 VanDerWaalsContact C-N 3.35Å; K118-K120 PolarHBondContact O-N 3.44Å
121	R	56.9	Low	51.8	Low	204 Å²	204	98.9 Å²	98.9	77%	0.77	54%	0.541	S	S	*	.	H	α-helix	trans	-108.5	-19.1	170.9	-77.6	173.7	162.4	176.1	-9.7	113.3	K117 K118 L119	K117-R121 WeakPolarHBondContact O-CD 3.42Å; K117-R121 WeakPolarHBondContact O-CG 3.36Å; K118-R121 WeakPolarHBondContact O-CA 3.49Å; K118-R121 WeakPolarHBondContact O-CB 3.47Å; K118-R121 PolarHBondContact O-N 3.16Å; L119-R121 PolarHBondContact O-N 3.48Å
122	S	51.4	Low	50.2	Low	58 Å²	58	104.2 Å²	104.2	41%	0.406	58%	0.578	S	S	.	*	H	α-helix	trans	-88.1	-44.1	168.7	54.8	0	0	0	0	111.1	E93 K118 L119 G124	E93-S122 WeakPolarHBondContact OE1-CB 3.42Å; E93-S122 PolarHBondContact OE1-OG 3.26Å; K118-S122 PolarHBondContact O-N 3.44Å; L119-S122 PolarHBondContact O-N 3.37Å; L119-S122 PolarHBondContact O-OG 3.45Å; S122-G124 PolarHBondContact O-N 2.83Å
123	S	48.9	Very low	48.6	Very low	45 Å²	45	110.4 Å²	110.4	32%	0.315	62%	0.616	S	S	.	*			trans	-76	82.2	177.6	74.7	0	0	0	0	111.4	E93 L119 K125	E93-S123 PolarHBondContact OE1-N 3.37Å; L119-S123 PolarHBondContact O-N 3.41Å; L119-S123 PolarHBondContact O-OG 3.05Å; L119-S123 VanDerWaalsContact O-OG 3.08Å; S123-K125 PolarHBondContact O-N 3.09Å
124	G	47.3	Very low	46.9	Very low	79 Å²	79	114.5 Å²	114.5	81%	0.814	64%	0.639	S	S	*	*			trans	-67	18.4	179.2	0	0	0	0	0	116.2	S122	S122-G124 PolarHBondContact O-N 2.83Å
125	K	38.6	Very low	45.1	Very low	187 Å²	187	113.4 Å²	113.4	81%	0.813	65%	0.647	S	S	*	*	S	Bend	trans	-143.2	148.4	178.6	-64.4	-175.2	-178.5	176.6	0	110	S123	S123-K125 PolarHBondContact O-N 3.09Å
126	S	32.8	Very low	43.7	Very low	121 Å²	121	119.6 Å²	119.6	85%	0.846	69%	0.688	S	S	*	*			trans	-68.9	151.5	-170.8	-57.3	0	0	0	0	114.8
127	L	31.9	Very low	41.9	Very low	162 Å²	162	122.7 Å²	122.7	85%	0.848	71%	0.712	S	S	*	*			trans	-111.7	144.1	157.2	-72	175.2	0	0	0	110
128	P	41.6	Very low	40	Very low	124 Å²	124	121.9 Å²	121.9	81%	0.805	72%	0.723	S	S	*	*			trans	-91.7	164.7	179.9	37.2	-35.7	0	0	0	113.2
129	G	33.6	Very low	38.6	Very low	76 Å²	76	129.7 Å²	129.7	78%	0.784	75%	0.75	S	S	*	*			trans	93.6	143.7	157	0	0	0	0	0	116.9
130	K	33.1	Very low	36.8	Very low	198 Å²	198	135.9 Å²	135.9	86%	0.861	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-82.5	147.6	164.5	-62.7	173.4	179.5	175.9	0	108.9
131	P	29.8	Very low	35.1	Very low	132 Å²	132	139 Å²	139	86%	0.857	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-70.7	128.6	161.6	30.2	-31.7	0	0	0	109.8
132	S	28.6	Very low	33.7	Very low	112 Å²	112	136.9 Å²	136.9	78%	0.783	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-84.5	165.9	167.4	-64.8	0	0	0	0	111.1
133	T	31.1	Very low	32.5	Very low	132 Å²	132	140.7 Å²	140.7	81%	0.81	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-55.9	138.4	179.9	46.4	0	0	0	0	114.2
134	P	30.5	Very low	31.5	Very low	132 Å²	132	145.3 Å²	145.3	86%	0.857	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-72.7	130.2	165.4	-10.8	26.9	0	0	0	111.4
135	G	26.6	Very low	30.5	Very low	60 Å²	60	150.1 Å²	150.1	62%	0.619	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-85.8	169.6	162	0	0	0	0	0	111.9
136	P	32.6	Very low	29.9	Very low	132 Å²	132	151.7 Å²	151.7	86%	0.857	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-70	150.2	-174	28.5	-35.2	0	0	0	113.8
137	L	30.2	Very low	29.6	Very low	181 Å²	181	152.7 Å²	152.7	95%	0.948	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-71	127.6	-178	-65.9	169.2	0	0	0	112.2
138	S	27.8	Very low	29.2	Very low	117 Å²	117	150.9 Å²	150.9	82%	0.818	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-103.1	135.2	164.5	-71.4	0	0	0	0	110.3
139	R	32.7	Very low	28.4	Very low	252 Å²	252	150.3 Å²	150.3	95%	0.951	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-54.6	133.2	-170.5	-65.5	170.6	171.2	164.3	-5.3	113.3
140	L	25.6	Very low	28.1	Very low	173 Å²	173	151.5 Å²	151.5	91%	0.906	82%	0.823	S	S	*	*			trans	-112.3	133.8	151.5	-88.5	168.3	0	0	0	109.2
141	R	26.3	Very low	27.9	Very low	241 Å²	241	148.4 Å²	148.4	91%	0.909	82%	0.821	S	S	*	*			trans	-70.8	132.4	172.9	-81.6	175.3	161.7	146.5	-8.6	109.3
142	L	26.8	Very low	28.4	Very low	161 Å²	161	147.3 Å²	147.3	84%	0.843	81%	0.814	S	S	*	*			trans	-69.4	128.1	157.8	-149.6	75.3	0	0	0	107.8
143	N	26.4	Very low	28.3	Very low	138 Å²	138	147.1 Å²	147.1	74%	0.738	82%	0.819	S	S	*	*			trans	-121.3	104	175.7	-168.5	39	0	0	0	108.4	Q145	N143-Q145 PolarHBondContact O-N 2.78Å
144	N	28.3	Very low	28.2	Very low	141 Å²	141	144.1 Å²	144.1	75%	0.754	81%	0.814	S	S	*	*			trans	-66.8	131.3	-175.8	-73.7	-10	0	0	0	111
145	Q	26.3	Very low	28.9	Very low	180 Å²	180	143.2 Å²	143.2	84%	0.841	81%	0.809	S	S	*	*			trans	-124	132	160.3	-72.2	-167.3	16.4	0	0	110	N143	N143-Q145 PolarHBondContact O-N 2.78Å
146	R	25.3	Very low	29.1	Very low	220 Å²	220	147 Å²	147	83%	0.83	82%	0.815	S	S	*	*			trans	-149.5	147.7	160.1	-135.2	-173.8	-171.4	-100.1	0.6	110.2
147	L	26.5	Very low	28.9	Very low	142 Å²	142	146.8 Å²	146.8	74%	0.743	81%	0.806	S	S	*	*			trans	70.2	93	164.1	-57.6	176.8	0	0	0	117.4
148	S	24.5	Very low	28.9	Very low	125 Å²	125	146.1 Å²	146.1	87%	0.874	80%	0.798	S	S	*	*			trans	-42.2	146.6	160.8	-32.1	0	0	0	0	115.8
149	S	25.1	Very low	28.9	Very low	111 Å²	111	150.9 Å²	150.9	78%	0.776	80%	0.799	S	S	*	*			trans	-150.9	131.4	144.1	45.9	0	0	0	0	113.2
150	S	25.8	Very low	30.1	Very low	102 Å²	102	143.9 Å²	143.9	71%	0.713	79%	0.787	S	S	*	*			trans	41.6	103.7	153	55.7	0	0	0	0	123.9
151	T	30.1	Very low	31.1	Very low	133 Å²	133	141.5 Å²	141.5	82%	0.816	78%	0.781	S	S	*	*				68.6	169.6	121.3	-5.7	0	0	0	0	119.5
152	P	39.9	Very low	31.3	Very low	109 Å²	109	136.2 Å²	136.2	71%	0.708	78%	0.776	S	S	*	*				-131.1	175	-96.6	45.1	-30.4	0	0	0	118
153	A	26.6	Very low	32.6	Very low	107 Å²	107	134 Å²	134	88%	0.884	77%	0.771	S	S	*	*			trans	68.7	153.8	162.1	0	0	0	0	0	117.4
154	G	28.2	Very low	32.7	Very low	69 Å²	69	132 Å²	132	71%	0.711	77%	0.768	S	S	*	*			cis	-150.5	-168.1	3.9	0	0	0	0	0	113.7
155	P	46.3	Very low	32.7	Very low	114 Å²	114	132.2 Å²	132.2	74%	0.74	77%	0.77	S	S	*	*			trans	-102.7	-174.5	-164.9	40.3	-37.3	0	0	0	116
156	N	30.1	Very low	32.8	Very low	139 Å²	139	127.5 Å²	127.5	74%	0.743	76%	0.761	S	S	*	*			trans	88.5	150.3	174.2	-55.3	-27.7	0	0	0	116
157	N	29.1	Very low	33	Very low	127 Å²	127	124.6 Å²	124.6	68%	0.679	76%	0.762	S	S	*	*			cis	-163.7	167.9	-21.8	-105.9	-18.1	0	0	0	111.7
158	H	29.8	Very low	33.2	Very low	167 Å²	167	126.5 Å²	126.5	77%	0.773	77%	0.767	S	S	*	*			trans	24.8	115.3	155.1	-69.1	-74.8	0	0	0	123.1
159	Y	27.7	Very low	34.1	Very low	217 Å²	217	126.3 Å²	126.3	85%	0.851	76%	0.763	S	S	*	*				2.1	160.7	121.8	-103.3	-73.6	0	0	0	120.8
160	P	57.9	Low	34.6	Very low	106 Å²	106	129.3 Å²	129.3	69%	0.688	77%	0.765	S	S	*	*				-103.9	-166.4	-95.8	46	-30.8	0	0	0	112.4
161	P	45.4	Very low	35.6	Very low	122 Å²	122	130.2 Å²	130.2	79%	0.792	77%	0.768	S	S	*	*				-154.3	-173.1	81.1	41.6	-20.4	0	0	0	116.5
162	T	32.2	Very low	35.7	Very low	130 Å²	130	131 Å²	131	80%	0.798	77%	0.767	S	S	*	*			trans	-97.9	-171	164.9	54.3	0	0	0	0	109.8
163	P	52.7	Low	35.4	Very low	115 Å²	115	134.4 Å²	134.4	75%	0.747	77%	0.774	S	S	*	*			cis	-138.9	-138.7	7	45.1	-22.9	0	0	0	114.5
164	S	28	Very low	35.5	Very low	96 Å²	96	131.7 Å²	131.7	67%	0.671	76%	0.756	S	S	*	*			trans	83.2	140	173.7	-69.8	0	0	0	0	117.7
165	D	30.2	Very low	35.6	Very low	146 Å²	146	135.9 Å²	135.9	78%	0.781	76%	0.761	S	S	*	*			cis	-162.1	168.7	-9.5	-120.6	-49.9	0	0	0	114.8
166	A	28.2	Very low	35	Very low	81 Å²	81	140.1 Å²	140.1	67%	0.669	76%	0.762	S	S	*	*			trans	74.6	145.4	150.8	0	0	0	0	0	125.6
167	D	27.7	Very low	35	Very low	159 Å²	159	138.5 Å²	138.5	85%	0.85	75%	0.754	S	S	*	*			trans	81.9	133.4	150.3	-69.3	-44.3	0	0	0	126.6
168	Q	31.5	Very low	35.3	Very low	182 Å²	182	140.1 Å²	140.1	85%	0.85	76%	0.755	S	S	*	*			trans	-124	-178.7	163	-71.1	-164.7	-72.6	0	0	107
169	P	43.4	Very low	35.3	Very low	120 Å²	120	138.8 Å²	138.8	78%	0.779	75%	0.753	S	S	*	*			cis	-135.6	-160.1	6.6	41.6	-20.4	0	0	0	114.9
170	Q	35.3	Very low	35.6	Very low	175 Å²	175	132.9 Å²	132.9	82%	0.818	74%	0.743	S	S	*	*			trans	-79.1	169	174.3	-60	-120.4	-95.1	0	0	113.1
171	P	48.2	Very low	34.4	Very low	120 Å²	120	134.1 Å²	134.1	78%	0.779	74%	0.744	S	S	*	*				-152.3	147.9	100.8	38.8	-21.2	0	0	0	119
172	D	31	Very low	33.7	Very low	150 Å²	150	135.9 Å²	135.9	80%	0.802	75%	0.747	S	S	*	*			trans	28.8	148.9	137.3	-84.4	-36.1	0	0	0	128.7
173	E	34.4	Very low	33.7	Very low	181 Å²	181	137.2 Å²	137.2	85%	0.846	74%	0.744	S	S	*	*			trans	72.9	144.6	139.2	-80.9	-67.6	169	0	0	124.9
174	G	28.2	Very low	32.7	Very low	49 Å²	49	138.4 Å²	138.4	51%	0.505	74%	0.741	S	S	.	*			trans	138.3	111.5	145.7	0	0	0	0	0	121.5
175	L	29.6	Very low	32.6	Very low	157 Å²	157	143.1 Å²	143.1	82%	0.822	75%	0.75	S	S	*	*			trans	70.6	158.5	138.9	-79.6	76.3	0	0	0	120.5
176	R	34.4	Very low	32.7	Very low	203 Å²	203	142.3 Å²	142.3	77%	0.766	75%	0.75	S	S	*	*			cis	-178.1	158.5	-31.6	-115.7	-176.4	-165.9	-151.6	6.9	110.1
177	D	30.6	Very low	32.6	Very low	106 Å²	106	141.4 Å²	141.4	57%	0.567	75%	0.749	S	S	*	*			trans	63.7	149.5	149.7	-80	-53.9	0	0	0	118.6
178	K	34.5	Very low	32.6	Very low	161 Å²	161	140.1 Å²	140.1	70%	0.7	75%	0.752	S	S	*	*			cis	-171.5	172.6	-12.5	-140.9	-177.8	-159.2	99.1	0	111.9
179	L	30.4	Very low	32.5	Very low	138 Å²	138	137.6 Å²	137.6	72%	0.723	75%	0.754	S	S	*	*			trans	69.8	154.5	156.9	-64.5	161.3	0	0	0	116.6
180	S	34	Very low	31.7	Very low	94 Å²	94	135.7 Å²	135.7	66%	0.657	76%	0.757	S	S	*	*			cis	-175	157.6	-13.1	47.1	0	0	0	0	109.3
181	D	32.7	Very low	31.6	Very low	131 Å²	131	136.9 Å²	136.9	70%	0.701	76%	0.759	S	S	*	*			cis	-170.1	-176	-23.4	-86.5	-41.4	0	0	0	107.1
182	D	31.1	Very low	30.7	Very low	159 Å²	159	138.1 Å²	138.1	85%	0.85	77%	0.765	S	S	*	*			trans	66.1	158.9	174.4	-68.3	-38.8	0	0	0	118.4
183	E	31.8	Very low	30.5	Very low	158 Å²	158	134.1 Å²	134.1	74%	0.738	76%	0.759	S	S	*	*			cis	-131.7	-125.4	-3.8	-155.5	-145.3	150.3	0	0	113.2
184	M	31.5	Very low	30.3	Very low	141 Å²	141	134 Å²	134	70%	0.695	76%	0.764	S	S	*	*			trans	-145	147.3	-155.8	-78.8	-177	-79.6	0	0	113.5
185	F	26.1	Very low	30.3	Very low	195 Å²	195	135.3 Å²	135.3	86%	0.855	78%	0.778	S	S	*	*				64.4	129.3	79.1	-135.7	-114.6	0	0	0	112.9
186	V	31.4	Very low	30.4	Very low	128 Å²	128	131.7 Å²	131.7	78%	0.776	78%	0.778	S	S	*	*			cis	-136.7	-171.1	27.8	-127.8	0	0	0	0	110.3
187	G	26.3	Very low	30.2	Very low	62 Å²	62	130.2 Å²	130.2	64%	0.639	79%	0.786	S	S	*	*			cis	153.7	-173.5	-1.5	0	0	0	0	0	114.7
188	S	27.6	Very low	30.1	Very low	132 Å²	132	127.9 Å²	127.9	92%	0.923	79%	0.787	S	S	*	*			trans	75.4	156.8	166.2	-67.8	0	0	0	0	121.3
189	S	30.1	Very low	29.9	Very low	129 Å²	129	125.5 Å²	125.5	90%	0.902	79%	0.79	S	S	*	*			trans	-118.9	157.6	-163.6	-47.5	0	0	0	0	114.4
190	G	26	Very low	30.1	Very low	80 Å²	80	123.5 Å²	123.5	83%	0.825	79%	0.788	S	S	*	*			trans	-150.9	158.4	171.9	0	0	0	0	0	112.7
191	K	34.7	Very low	29.9	Very low	200 Å²	200	127 Å²	127	87%	0.87	80%	0.799	S	S	*	*			trans	-150.1	164.6	-169.8	-168.1	170	179.5	177	0	112.6
192	T	27.7	Very low	29.7	Very low	146 Å²	146	124.3 Å²	124.3	90%	0.896	80%	0.802	S	S	*	*			trans	91	137.2	-178.6	71.4	0	0	0	0	115.3
193	G	27.7	Very low	29.7	Very low	67 Å²	67	124.6 Å²	124.6	69%	0.691	80%	0.804	S	S	*	*			cis	169.9	145.7	-12.3	0	0	0	0	0	115.1
194	N	30.2	Very low	29.5	Very low	178 Å²	178	125.5 Å²	125.5	95%	0.952	81%	0.813	S	S	*	*			trans	58.2	149	171.9	-60.1	-3.6	0	0	0	117.3
195	G	27.1	Very low	29.4	Very low	76 Å²	76	123.9 Å²	123.9	78%	0.784	82%	0.816	S	S	*	*			cis	-176.1	149.5	-7.2	0	0	0	0	0	106.2
196	G	31.6	Very low	29.5	Very low	81 Å²	81	120.7 Å²	120.7	84%	0.835	82%	0.817	S	S	*	*				106.9	139.4	53.5	0	0	0	0	0	109.7
197	N	32.2	Very low	29.3	Very low	172 Å²	172	118.2 Å²	118.2	92%	0.92	82%	0.818	S	S	*	*			cis	-167.8	162.9	-3.9	-160.9	18.7	0	0	0	113.4
198	G	28.2	Very low	29.3	Very low	57 Å²	57	120 Å²	120	59%	0.588	83%	0.826	S	S	*	*			trans	90.4	152.8	155.5	0	0	0	0	0	118.3
199	S	30.1	Very low	29.3	Very low	111 Å²	111	119.3 Å²	119.3	78%	0.776	82%	0.821	S	S	*	*			cis	-162.5	137.4	-11.3	-68.8	0	0	0	0	106.6
200	S	33.2	Very low	29.3	Very low	97 Å²	97	118 Å²	118	68%	0.678	82%	0.819	S	S	*	*				60	134.1	50.1	81.2	0	0	0	0	114.2
201	N	31.3	Very low	29.3	Very low	167 Å²	167	117.9 Å²	117.9	89%	0.893	82%	0.817	S	S	*	*			cis	-170.5	167.2	-4.5	-119.6	-1.4	0	0	0	110.2
202	G	28.2	Very low	29.2	Very low	74 Å²	74	117 Å²	117	76%	0.763	82%	0.816	S	S	*	*			trans	94.3	120.6	136.4	0	0	0	0	0	120.4
203	N	29.8	Very low	30	Very low	165 Å²	165	116.1 Å²	116.1	88%	0.882	81%	0.813	S	S	*	*			trans	-80.9	150.3	149.5	-91.1	-25.1	0	0	0	110.1
204	L	27.7	Very low	30.1	Very low	178 Å²	178	119.1 Å²	119.1	93%	0.932	81%	0.813	S	S	*	*			trans	-162.2	167.2	142.9	-107.9	174.1	0	0	0	110.3
205	S	29.2	Very low	30.2	Very low	107 Å²	107	118.8 Å²	118.8	75%	0.748	81%	0.811	S	S	*	*			trans	-118	174	-156	-48	0	0	0	0	115.8
206	S	30.1	Very low	30.2	Very low	127 Å²	127	118 Å²	118	89%	0.888	80%	0.802	S	S	*	*			trans	109.6	146.8	148.4	78.7	0	0	0	0	119
207	G	25.5	Very low	30	Very low	76 Å²	76	122.4 Å²	122.4	78%	0.784	81%	0.806	S	S	*	*			trans	97.9	149.8	175.8	0	0	0	0	0	115.7
208	A	26.8	Very low	29.8	Very low	100 Å²	100	120.3 Å²	120.3	83%	0.826	79%	0.794	S	S	*	*				-171.8	147.5	-77.3	0	0	0	0	0	110.5
209	S	28.2	Very low	29.9	Very low	117 Å²	117	123.7 Å²	123.7	82%	0.818	80%	0.799	S	S	*	*			trans	74.1	117.5	158.5	-165.6	0	0	0	0	121.8
210	A	28.8	Very low	29.9	Very low	102 Å²	102	122.5 Å²	122.5	84%	0.843	79%	0.79	S	S	*	*			trans	67.4	138.9	138.7	0	0	0	0	0	122.7
211	G	26.7	Very low	29.8	Very low	77 Å²	77	127 Å²	127	79%	0.794	80%	0.797	S	S	*	*			trans	152.2	97.5	161.5	0	0	0	0	0	114.9
212	E	32.5	Very low	29.7	Very low	182 Å²	182	128.5 Å²	128.5	85%	0.85	80%	0.796	S	S	*	*			trans	-78.7	165.3	154.2	-68	-167.4	110.7	0	0	109.9
213	P	45	Very low	29.8	Very low	128 Å²	128	129.8 Å²	129.8	83%	0.831	79%	0.794	S	S	*	*				-139	147.2	94.8	37.4	-25.4	0	0	0	115.7
214	D	29.8	Very low	30.6	Very low	129 Å²	129	127.9 Å²	127.9	69%	0.69	79%	0.79	S	S	*	*			trans	-72.3	143.4	162.5	167.7	40.8	0	0	0	112
215	L	31.5	Very low	30.9	Very low	172 Å²	172	128.1 Å²	128.1	90%	0.901	79%	0.786	S	S	*	*			trans	-158.7	121.8	148.4	-82.7	-166.4	0	0	0	110.5
216	G	26.9	Very low	30.9	Very low	59 Å²	59	129.1 Å²	129.1	61%	0.608	79%	0.793	S	S	*	*			trans	-96.9	-143.2	173.9	0	0	0	0	0	115.5
217	L	28.9	Very low	30.9	Very low	173 Å²	173	128.2 Å²	128.2	91%	0.906	79%	0.793	S	S	*	*			trans	84.2	147.6	-174.4	-52.4	173	0	0	0	115.4
218	D	27.4	Very low	31	Very low	128 Å²	128	127.8 Å²	127.8	68%	0.684	79%	0.789	S	S	*	*			cis	-171.8	-179.1	-29.7	-147.1	4.6	0	0	0	107.4
219	L	29.7	Very low	31.1	Very low	129 Å²	129	130 Å²	130	68%	0.675	79%	0.793	S	S	*	*			cis	-160.8	129.4	2.3	-176.7	168.8	0	0	0	113.1
220	S	30.7	Very low	31.2	Very low	85 Å²	85	128 Å²	128	59%	0.594	78%	0.783	S	S	*	*			trans	77.3	153.7	145.4	-84.1	0	0	0	0	125.9
221	K	30.2	Very low	31.3	Very low	192 Å²	192	130.7 Å²	130.7	84%	0.835	78%	0.781	S	S	*	*			trans	81.5	144.3	155.7	-67	139.8	-170.8	169.7	0	116.7
222	K	30.3	Very low	31.3	Very low	198 Å²	198	134 Å²	134	86%	0.861	78%	0.781	S	S	*	*			cis	-155.9	146.3	9.7	-146.2	-179.5	-179.9	-178	0	112
223	S	31	Very low	31.1	Very low	102 Å²	102	128.7 Å²	128.7	71%	0.713	77%	0.768	S	S	*	*			trans	-89.9	167.6	163	-48.4	0	0	0	0	111.8
224	P	46.4	Very low	30.2	Very low	125 Å²	125	130.7 Å²	130.7	81%	0.812	77%	0.771	S	S	*	*				-143.5	177.1	108.6	39.5	-26.1	0	0	0	115.4
225	H	34.2	Very low	30.2	Very low	183 Å²	183	130 Å²	130	85%	0.847	78%	0.777	S	S	*	*			trans	-93.8	164.9	177.2	-53.3	-120	0	0	0	112.5
226	S	27.5	Very low	31.1	Very low	127 Å²	127	126.7 Å²	126.7	89%	0.888	77%	0.765	S	S	*	*				-168.5	160.1	124.3	57.7	0	0	0	0	112.1
227	A	29.8	Very low	31.1	Very low	109 Å²	109	131.7 Å²	131.7	90%	0.901	77%	0.772	S	S	*	*			trans	-155.9	169.9	-178.9	0	0	0	0	0	111.9
228	G	27.7	Very low	31.2	Very low	67 Å²	67	128 Å²	128	69%	0.691	76%	0.761	S	S	*	*			trans	114.9	163.5	174.9	0	0	0	0	0	114
229	T	30.1	Very low	31.2	Very low	147 Å²	147	128.8 Å²	128.8	90%	0.902	77%	0.765	S	S	*	*			cis	-178.2	153.9	-8.5	24	0	0	0	0	106.5
230	A	29.7	Very low	31	Very low	74 Å²	74	126.7 Å²	126.7	61%	0.612	76%	0.761	S	S	*	*			cis	-173.4	-178	-17.2	0	0	0	0	0	107.8
231	I	31.7	Very low	31	Very low	158 Å²	158	131.1 Å²	131.1	81%	0.81	77%	0.772	S	S	*	*			trans	60.6	150	166.9	67.8	165.1	0	0	0	117.1
232	D	26.8	Very low	30.7	Very low	146 Å²	146	131 Å²	131	78%	0.781	78%	0.775	S	S	*	*			cis	-161.4	-178.6	-4.7	-125.8	-37.9	0	0	0	108
233	A	27.7	Very low	30.7	Very low	71 Å²	71	126.4 Å²	126.4	59%	0.587	77%	0.768	S	S	*	*			cis	-162.7	-171.6	-1.3	0	0	0	0	0	110
234	L	26.9	Very low	31.4	Very low	171 Å²	171	126.7 Å²	126.7	90%	0.895	77%	0.767	S	S	*	*			trans	78.8	114.9	157.7	-58.8	179.9	0	0	0	121
235	S	29.7	Very low	30.6	Very low	115 Å²	115	129.3 Å²	129.3	80%	0.804	77%	0.768	S	S	*	*			trans	-119.9	-178.6	153.8	-73.9	0	0	0	0	107.4
236	P	49.7	Very low	30.2	Very low	102 Å²	102	126.1 Å²	126.1	66%	0.662	77%	0.767	S	S	*	*			cis	-117.6	-155.9	9.6	37	-15	0	0	0	111.7
237	H	27.5	Very low	30.2	Very low	164 Å²	164	124.5 Å²	124.5	76%	0.759	76%	0.761	S	S	*	*			cis	-140	164.2	18.5	-97.5	-47.8	0	0	0	110.2
238	S	29.5	Very low	30.1	Very low	94 Å²	94	124.1 Å²	124.1	66%	0.657	75%	0.752	S	S	*	*			cis	72.7	131	49	-37	0	0	0	0	114
239	N	28.2	Very low	30	Very low	146 Å²	146	127 Å²	127	78%	0.781	76%	0.756	S	S	*	*			cis	-160.7	172.5	-2.7	-157.1	15.2	0	0	0	112.9
240	S	25.9	Very low	29.8	Very low	85 Å²	85	124.6 Å²	124.6	59%	0.594	75%	0.745	S	S	*	*			trans	66.9	137.8	159.7	-53.7	0	0	0	0	117.8
241	Q	29.4	Very low	29.7	Very low	177 Å²	177	127.6 Å²	127.6	83%	0.827	76%	0.756	S	S	*	*			cis	67.5	107.6	45.6	-69.7	-165.4	-87.4	0	0	115.4
242	E	25.6	Very low	29.6	Very low	189 Å²	189	125.9 Å²	125.9	88%	0.883	75%	0.753	S	S	*	*				-171.5	176.1	108.3	-109.9	-176.9	84.5	0	0	113.8
243	S	28.9	Very low	29.7	Very low	102 Å²	102	125.9 Å²	125.9	71%	0.713	75%	0.753	S	S	*	*			trans	-142.9	165.8	172.4	-69.8	0	0	0	0	105.5
244	P	46.1	Very low	29.8	Very low	108 Å²	108	127.5 Å²	127.5	70%	0.701	76%	0.76	S	S	*	*			cis	-159.3	-172.4	40.4	43.9	-20.2	0	0	0	118.9
245	Q	28.9	Very low	30.1	Very low	180 Å²	180	124.5 Å²	124.5	84%	0.841	76%	0.76	S	S	*	*			trans	50.8	119	142.9	-76.4	171.6	7.5	0	0	124.2
246	S	27.3	Very low	29.9	Very low	117 Å²	117	124.3 Å²	124.3	82%	0.818	76%	0.758	S	S	*	*				-177.6	139.1	124	23.9	0	0	0	0	108.3
247	A	26.9	Very low	29.2	Very low	92 Å²	92	127 Å²	127	76%	0.76	77%	0.766	S	S	*	*				70.2	135.2	53.7	0	0	0	0	0	113.6
248	S	27.2	Very low	29.3	Very low	102 Å²	102	126.7 Å²	126.7	71%	0.713	77%	0.77	S	S	*	*			cis	-174.7	-179.4	-9.8	49.3	0	0	0	0	110
249	V	27.3	Very low	29.2	Very low	126 Å²	126	128.6 Å²	128.6	76%	0.764	77%	0.773	S	S	*	*			trans	73.1	141.6	170.2	-168.7	0	0	0	0	114.7
250	S	25.9	Very low	29.3	Very low	98 Å²	98	126 Å²	126	69%	0.685	77%	0.766	S	S	*	*			cis	123.3	138.6	-8.3	-61.6	0	0	0	0	115.1
251	T	27.5	Very low	29.5	Very low	136 Å²	136	126.2 Å²	126.2	83%	0.834	77%	0.768	S	S	*	*			trans	68.8	152.6	175.9	71.5	0	0	0	0	115.6
252	T	28.1	Very low	29.5	Very low	122 Å²	122	124.1 Å²	124.1	75%	0.748	77%	0.767	S	S	*	*			cis	-145.2	168.6	24.6	50.4	0	0	0	0	115.2
253	N	29.6	Very low	29.6	Very low	146 Å²	146	121.1 Å²	121.1	78%	0.781	76%	0.762	S	S	*	*			trans	-17.5	167	144.4	-52.9	-6	0	0	0	118.3
254	S	30.7	Very low	29.7	Very low	105 Å²	105	123.8 Å²	123.8	73%	0.734	77%	0.768	S	S	*	*			cis	178.1	143	-23.5	-82.4	0	0	0	0	108.8
255	A	32.5	Very low	29.7	Very low	108 Å²	108	124.6 Å²	124.6	89%	0.893	77%	0.773	S	S	*	*			trans	56.7	134.7	157.2	0	0	0	0	0	121.9
256	S	24.3	Very low	29.7	Very low	111 Å²	111	119.1 Å²	119.1	78%	0.776	77%	0.765	S	S	*	*			trans	-146.6	160.2	140.2	-160.6	0	0	0	0	109.7
257	L	36	Very low	29.9	Very low	158 Å²	158	120 Å²	120	83%	0.827	77%	0.765	S	S	*	*			trans	-125.1	-177.7	169.2	-73.4	170.5	0	0	0	108.3
258	D	30.3	Very low	30.1	Very low	158 Å²	158	122.4 Å²	122.4	85%	0.845	77%	0.765	S	S	*	*			trans	85	151.4	174	113.2	-42	0	0	0	116.7
259	D	26.8	Very low	30.3	Very low	135 Å²	135	121.4 Å²	121.4	72%	0.722	76%	0.763	S	S	*	*			cis	-161.2	175.1	-37.8	-176.8	37.9	0	0	0	110
260	S	30.5	Very low	30.3	Very low	90 Å²	90	120.7 Å²	120.7	63%	0.629	76%	0.762	S	S	*	*			trans	71.9	160.3	158.1	-83.4	0	0	0	0	119.6
261	S	30.4	Very low	30.3	Very low	90 Å²	90	123 Å²	123	63%	0.629	77%	0.766	S	S	*	*			cis	-170	157	-20.9	-99.3	0	0	0	0	111.5
262	T	28.5	Very low	30.5	Very low	133 Å²	133	121.2 Å²	121.2	82%	0.816	76%	0.759	S	S	*	*			trans	63.2	160.2	163.7	40.5	0	0	0	0	118.4
263	T	28.3	Very low	30.5	Very low	127 Å²	127	123.1 Å²	123.1	78%	0.779	76%	0.759	S	S	*	*			cis	-153.2	166.3	13.6	-18.3	0	0	0	0	112.2
264	L	30.6	Very low	30.5	Very low	157 Å²	157	121.9 Å²	121.9	82%	0.822	75%	0.752	S	S	*	*			trans	-110.2	163.2	165.3	-66.9	174.9	0	0	0	110.7
265	P	46.2	Very low	30.4	Very low	126 Å²	126	124.6 Å²	124.6	82%	0.818	76%	0.755	S	S	*	*				-121	168.6	73.2	5.1	18.4	0	0	0	112.5
266	G	29.7	Very low	30.2	Very low	65 Å²	65	126.3 Å²	126.3	67%	0.67	75%	0.745	S	S	*	*			cis	101.5	136.6	27.9	0	0	0	0	0	109.9
267	V	31.3	Very low	30.4	Very low	135 Å²	135	127 Å²	127	82%	0.818	74%	0.739	S	S	*	*			cis	-154.7	-177.3	9.3	-63	0	0	0	0	108.2
268	D	29.8	Very low	29.9	Very low	143 Å²	143	125.6 Å²	125.6	77%	0.765	73%	0.733	S	S	*	*			cis	-162.6	178.8	2.6	-142.1	-43	0	0	0	111.1
269	A	31.9	Very low	29.7	Very low	80 Å²	80	122.9 Å²	122.9	66%	0.661	73%	0.726	S	S	*	*			trans	51.8	138	146.1	0	0	0	0	0	122.3
270	C	27.7	Very low	30	Very low	111 Å²	111	121.5 Å²	121.5	75%	0.75	73%	0.727	S	S	*	*			cis	-167.3	163.9	3.3	-127.7	0	0	0	0	115
271	I	26.8	Very low	30	Very low	148 Å²	148	126 Å²	126	76%	0.759	74%	0.735	S	S	*	*			trans	76.8	100.7	152	-61.8	162.4	0	0	0	120.8
272	S	30.4	Very low	29.8	Very low	98 Å²	98	126.9 Å²	126.9	69%	0.685	74%	0.737	S	S	*	*				50.5	128.3	120.6	-50.5	0	0	0	0	126.4
273	E	29.3	Very low	29.7	Very low	161 Å²	161	127.1 Å²	127.1	75%	0.752	73%	0.732	S	S	*	*				81.7	116	124.9	-75.4	-164.7	95.9	0	0	125.2
274	N	28.3	Very low	29.7	Very low	120 Å²	120	129.3 Å²	129.3	64%	0.642	73%	0.733	S	S	*	*				63	142	121.1	-71.8	-30.1	0	0	0	124
275	M	27.9	Very low	29.6	Very low	163 Å²	163	128.5 Å²	128.5	80%	0.803	73%	0.73	S	S	*	*			trans	70.5	151.3	145.1	-77.8	173.3	168.6	0	0	119
276	E	29.7	Very low	28.8	Very low	143 Å²	143	125.7 Å²	125.7	67%	0.668	71%	0.714	S	S	*	*			cis	-168	-179.4	-25.8	-147	-177.6	-164.2	0	0	109.7
277	L	29.1	Very low	28.9	Very low	127 Å²	127	130.4 Å²	130.4	67%	0.665	72%	0.718	S	S	*	*			trans	71.6	132.4	149.4	-68.2	162.2	0	0	0	122.7
278	N	25.5	Very low	28.8	Very low	128 Å²	128	131.1 Å²	131.1	68%	0.684	72%	0.717	S	S	*	*			trans	61.4	124.5	140.8	-72.9	-29.7	0	0	0	121.3
279	S	25.8	Very low	28.9	Very low	100 Å²	100	132.8 Å²	132.8	70%	0.699	72%	0.72	S	S	*	*				77.7	107.1	53.8	-59.6	0	0	0	0	114.2
280	S	31.7	Very low	29.8	Very low	106 Å²	106	134 Å²	134	74%	0.741	72%	0.722	S	S	*	*				159.8	142.7	128.8	-77.8	0	0	0	0	114.4
281	K	31.1	Very low	29.7	Very low	186 Å²	186	138.1 Å²	138.1	81%	0.809	73%	0.73	S	S	*	*			trans	68.5	155.4	139.6	-76.5	176.9	-178.7	179.5	0	120.2
282	T	25.7	Very low	29.7	Very low	108 Å²	108	133.9 Å²	133.9	66%	0.663	72%	0.722	S	S	*	*			cis	-176.2	168.5	-34.9	26.1	0	0	0	0	107.5
283	L	26.8	Very low	30.4	Very low	137 Å²	137	135.1 Å²	135.1	72%	0.717	73%	0.728	S	S	*	*			trans	76.3	131.1	168.1	-60.1	152	0	0	0	113.2
284	E	27.8	Very low	31.4	Very low	173 Å²	173	132.7 Å²	132.7	81%	0.808	73%	0.726	S	S	*	*				69.4	133.5	62.9	-65.9	-178.2	174.8	0	0	111.8
285	D	28.8	Very low	32.1	Very low	140 Å²	140	131.6 Å²	131.6	75%	0.749	73%	0.726	S	S	*	*			cis	-156.4	168.2	12.5	-165.1	16.6	0	0	0	114.2
286	S	30.1	Very low	32.2	Very low	68 Å²	68	131.3 Å²	131.3	48%	0.476	72%	0.723	S	S	.	*			trans	62	115.4	143.4	-81.8	0	0	0	0	125.5
287	Q	32.4	Very low	32.1	Very low	164 Å²	164	133.9 Å²	133.9	77%	0.766	73%	0.731	S	S	*	*				82.6	131.4	119	-64.4	174.4	22.4	0	0	124.8
288	N	28.3	Very low	32.1	Very low	149 Å²	149	136.1 Å²	136.1	80%	0.797	74%	0.736	S	S	*	*			trans	74.6	112.7	144.3	-70.5	-24	0	0	0	124.9
289	Q	32.3	Very low	32.3	Very low	178 Å²	178	137 Å²	137	83%	0.832	75%	0.746	S	S	*	*			trans	-21.4	175.9	138.5	-71.7	-163.7	31.2	0	0	120.5
290	P	49.8	Very low	32.5	Very low	106 Å²	106	142.1 Å²	142.1	69%	0.688	75%	0.75	S	S	*	*			cis	-133.1	-173.5	-15.7	30	-8.3	0	0	0	114.1
291	E	26.5	Very low	32.3	Very low	198 Å²	198	144.9 Å²	144.9	93%	0.925	75%	0.751	S	S	*	*			trans	178.5	170.4	139.1	-88.1	-107.3	102.9	0	0	111.1
292	G	26.4	Very low	32.1	Very low	58 Å²	58	140.6 Å²	140.6	60%	0.598	75%	0.75	S	S	*	*			trans	-166.7	-161.5	175	0	0	0	0	0	110.1
293	P	45.8	Very low	32.2	Very low	124 Å²	124	140 Å²	140	81%	0.805	76%	0.756	S	S	*	*			cis	-116.5	-138.8	-14.7	41.5	-23.6	0	0	0	109.1
294	P	49.6	Very low	32.2	Very low	111 Å²	111	145.1 Å²	145.1	72%	0.721	77%	0.766	S	S	*	*			cis	-122.8	-121.1	-20.6	31.4	-5.6	0	0	0	110.3
295	P	43.8	Very low	32.2	Very low	97 Å²	97	145.6 Å²	145.6	63%	0.63	77%	0.765	S	S	*	*			cis	-134.5	129.9	-35	30.3	-7.7	0	0	0	118.1
296	Q	29.1	Very low	32	Very low	157 Å²	157	146.6 Å²	146.6	73%	0.734	77%	0.77	S	S	*	*			trans	57.3	126.8	136.5	-53.5	-174.1	22.7	0	0	124.7
297	K	28.9	Very low	31.9	Very low	196 Å²	196	152.4 Å²	152.4	85%	0.852	79%	0.79	S	S	*	*				-175.3	113.9	118.2	-94.3	150.2	-173.9	173.4	0	109.2
298	K	28.9	Very low	31.6	Very low	175 Å²	175	156.6 Å²	156.6	76%	0.761	80%	0.799	S	S	*	*				52.3	120.8	93.9	-61.6	179.6	-174.3	176.3	0	112.6
299	T	28.9	Very low	32.1	Very low	145 Å²	145	154.3 Å²	154.3	89%	0.89	79%	0.792	S	S	*	*				-148.7	-174.6	68.1	40.1	0	0	0	0	116.2
300	R	30.9	Very low	31.8	Very low	208 Å²	208	155.7 Å²	155.7	79%	0.785	80%	0.796	S	S	*	*			trans	-88.8	164.5	-175.5	-65.3	150.6	68.8	177.3	5.2	110.6
301	H	27.2	Very low	30.8	Very low	165 Å²	165	160.3 Å²	160.3	76%	0.764	81%	0.805	S	S	*	*				-155.3	-178.9	56.2	-92.8	-99.6	0	0	0	113.4
302	A	25.6	Very low	30.8	Very low	96 Å²	96	160 Å²	160	79%	0.793	80%	0.803	S	S	*	*			trans	-142.7	-178.3	-167.1	0	0	0	0	0	113.7
303	A	28	Very low	30.9	Very low	95 Å²	95	162 Å²	162	79%	0.785	81%	0.814	S	S	*	*			trans	95	145	178.8	0	0	0	0	0	115.1
304	R	27.5	Very low	30.2	Very low	244 Å²	244	164.3 Å²	164.3	92%	0.921	82%	0.819	S	S	*	*			cis	-149	159.4	3.1	-139.2	171.3	-169.2	-144.2	5.5	113.3
305	K	26.7	Very low	29.1	Very low	184 Å²	184	162.3 Å²	162.3	80%	0.8	82%	0.818	S	S	*	*			trans	-56.9	162.7	179.3	-49.7	174.2	176.8	-173.2	0	114.3
306	N	25.6	Very low	28.4	Very low	160 Å²	160	166 Å²	166	86%	0.856	83%	0.832	S	S	*	*				-172.5	113	108.3	-89.2	-8.9	0	0	0	113.1
307	E	27.7	Very low	28.3	Very low	191 Å²	191	167.3 Å²	167.3	89%	0.893	84%	0.835	S	S	*	*			trans	-122.1	150.1	156.6	-79.6	-171	103.2	0	0	108.4
308	W	26.9	Very low	28.3	Very low	251 Å²	251	162.9 Å²	162.9	95%	0.951	83%	0.829	S	S	*	*			trans	-157.8	159.1	172.7	-118.4	2.2	0	0	0	112.1
309	P	37.8	Very low	28.3	Very low	101 Å²	101	164 Å²	164	66%	0.656	84%	0.837	S	S	*	*				-132.7	166.1	-101.8	40.8	-26.6	0	0	0	115.2
310	K	25.8	Very low	28.3	Very low	207 Å²	207	164.4 Å²	164.4	90%	0.9	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-78.8	148	157.1	-69.8	-179.5	177.8	177.9	0	109.8
311	K	28.7	Very low	28.3	Very low	203 Å²	203	163.2 Å²	163.2	88%	0.883	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-100	138	173.6	-72.3	-176.9	177.3	179.4	0	110.4
312	E	27.9	Very low	28.3	Very low	192 Å²	192	162 Å²	162	90%	0.897	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-94.2	164.9	165.4	-61.7	-177.6	135.5	0	0	111
313	A	28.6	Very low	28.5	Very low	99 Å²	99	167.6 Å²	167.6	82%	0.818	84%	0.837	S	S	*	*			trans	-127.3	132	161.9	0	0	0	0	0	108.9
314	L	29.8	Very low	28.9	Very low	173 Å²	173	168.8 Å²	168.8	91%	0.906	84%	0.836	S	S	*	*			trans	-69.7	148.6	176.4	-53.1	166.6	0	0	0	109.4
315	G	26.9	Very low	29	Very low	69 Å²	69	163.5 Å²	163.5	71%	0.711	83%	0.825	S	S	*	*			cis	124.8	125	4	0	0	0	0	0	111.2
316	L	29.2	Very low	29	Very low	176 Å²	176	161.6 Å²	161.6	92%	0.921	83%	0.829	S	S	*	*			trans	-154.8	153.6	172.5	-108.1	172	0	0	0	112.1
317	K	25.9	Very low	29.1	Very low	183 Å²	183	161.3 Å²	161.3	80%	0.796	83%	0.827	S	S	*	*			trans	-59.1	141.1	-176.2	-67.6	173.4	179.6	-178.7	0	112.5
318	S	29.5	Very low	29	Very low	104 Å²	104	156 Å²	156	73%	0.727	83%	0.825	S	S	*	*			cis	84.7	103.6	36.6	83.2	0	0	0	0	115.2
319	E	28.5	Very low	28.9	Very low	199 Å²	199	150.3 Å²	150.3	93%	0.93	82%	0.817	S	S	*	*			trans	-167.9	136.8	151.2	-110	161.5	179.6	0	0	109.1
320	D	30.3	Very low	28.3	Very low	153 Å²	153	153 Å²	153	82%	0.818	82%	0.824	S	S	*	*			trans	-94.9	151.7	176.9	-70	-71.8	0	0	0	110.9
321	H	29.8	Very low	28.4	Very low	183 Å²	183	149 Å²	149	85%	0.847	82%	0.817	S	S	*	*			trans	-173.4	162.7	131.5	-103.2	-60.6	0	0	0	114.1
322	D	27.7	Very low	28.1	Very low	140 Å²	140	142.6 Å²	142.6	75%	0.749	81%	0.808	S	S	*	*			trans	-51.3	159.4	-163.2	-62.1	-94.6	0	0	0	120.8
323	R	29.7	Very low	28.7	Very low	213 Å²	213	138.9 Å²	138.9	80%	0.804	80%	0.801	S	S	*	*			trans	-92.4	147.2	173.9	-166.7	-174.1	-170.5	-155.3	6.5	110.8
324	P	36.4	Very low	28.6	Very low	120 Å²	120	143.7 Å²	143.7	78%	0.779	80%	0.804	S	S	*	*				-134.3	174.7	125.9	35.7	-25.3	0	0	0	113.8
325	L	29.2	Very low	28.5	Very low	132 Å²	132	143 Å²	143	69%	0.691	80%	0.8	S	S	*	*			trans	-87.3	158.5	-179.1	-64	80.2	0	0	0	112
326	V	26.8	Very low	28.6	Very low	144 Å²	144	143.5 Å²	143.5	87%	0.873	81%	0.806	S	S	*	*				-167.5	158.4	123.6	138.5	0	0	0	0	110.3
327	N	27.7	Very low	28.5	Very low	154 Å²	154	146.7 Å²	146.7	82%	0.824	81%	0.806	S	S	*	*			trans	-73.7	155.7	-170.3	-60.1	-17	0	0	0	114.8
328	G	26.3	Very low	28.4	Very low	81 Å²	81	142.4 Å²	142.4	84%	0.835	80%	0.799	S	S	*	*			trans	-162	100.2	165.9	0	0	0	0	0	112.6
329	V	24	Very low	28.4	Very low	131 Å²	131	143.6 Å²	143.6	79%	0.794	81%	0.807	S	S	*	*			trans	-100.2	139.8	173	171.8	0	0	0	0	108.9
330	I	26.2	Very low	28.2	Very low	156 Å²	156	137.4 Å²	137.4	80%	0.8	80%	0.797	S	S	*	*			trans	-177.6	120.3	140.5	-97.6	153.8	0	0	0	112.2
331	V	27.7	Very low	28	Very low	124 Å²	124	135.8 Å²	135.8	75%	0.752	81%	0.805	S	S	*	*			trans	44.3	129.1	138.3	-164.6	0	0	0	0	120.9
332	G	22.6	Very low	27.7	Very low	68 Å²	68	131 Å²	131	70%	0.701	81%	0.805	S	S	*	*			trans	-83.9	-127	162.2	0	0	0	0	0	112.1
333	P	39.7	Very low	27.5	Very low	115 Å²	115	128.4 Å²	128.4	75%	0.747	81%	0.812	S	S	*	*			cis	-111.4	-175.9	-32.1	41.2	-29.9	0	0	0	110.9
334	K	27.6	Very low	27.3	Very low	200 Å²	200	122 Å²	122	87%	0.87	81%	0.812	S	S	*	*			trans	-168.5	150.1	136.4	-111.4	159.9	-172.6	172.5	0	116.5
335	D	27	Very low	26.9	Very low	157 Å²	157	122.9 Å²	122.9	84%	0.84	82%	0.821	S	S	*	*			trans	-68.5	156.8	-173.2	-45.7	-96	0	0	0	115.3
336	G	28	Very low	26.8	Very low	81 Å²	81	120 Å²	120	84%	0.835	82%	0.823	S	S	*	*			trans	-155.6	80.7	178	0	0	0	0	0	114.6
337	R	27	Very low	27	Very low	243 Å²	243	121.6 Å²	121.6	92%	0.917	83%	0.827	S	S	*	*			trans	-64	160.9	162.2	-74.7	179.1	173.7	-166.6	-1.8	110.7
338	S	25.8	Very low	26.9	Very low	92 Å²	92	119 Å²	119	64%	0.643	82%	0.821	S	S	*	*			cis	179.9	156.3	-14.5	52.8	0	0	0	0	108.8
339	S	27.7	Very low	27.3	Very low	129 Å²	129	125.8 Å²	125.8	90%	0.902	83%	0.827	S	S	*	*			trans	69.3	154.9	169	-48.3	0	0	0	0	116.4
340	G	24.5	Very low	27.6	Very low	70 Å²	70	124.5 Å²	124.5	72%	0.722	82%	0.82	S	S	*	*			cis	163.9	158.4	-10.5	0	0	0	0	0	113.6
341	A	25.7	Very low	27.7	Very low	118 Å²	118	121.9 Å²	121.9	98%	0.975	82%	0.816	S	S	*	*			trans	67.9	155.4	172.6	0	0	0	0	0	118.9
342	G	24.5	Very low	27.8	Very low	82 Å²	82	123.4 Å²	123.4	85%	0.845	82%	0.82	S	S	*	*			trans	122.6	102.1	176.9	0	0	0	0	0	113.1
343	G	24	Very low	28.1	Very low	87 Å²	87	127.4 Å²	127.4	90%	0.897	82%	0.82	S	S	*	*			trans	-104.9	162.2	-178.8	0	0	0	0	0	114
344	G	25.3	Very low	27.5	Very low	79 Å²	79	127.2 Å²	127.2	81%	0.814	82%	0.821	S	S	*	*			trans	-171.4	133.8	173.1	0	0	0	0	0	111.2
345	S	28.2	Very low	27.7	Very low	138 Å²	138	125.2 Å²	125.2	97%	0.965	81%	0.813	S	S	*	*			trans	-77.5	140.2	-173.5	-52.8	0	0	0	0	113
346	G	26.3	Very low	28	Very low	71 Å²	71	125.5 Å²	125.5	73%	0.732	81%	0.809	S	S	*	*			trans	-160.5	119.8	168.3	0	0	0	0	0	111.2	S348	G346-S348 PolarHBondContact O-N 3.17Å
347	N	30.7	Very low	28	Very low	178 Å²	178	124.3 Å²	124.3	95%	0.952	79%	0.788	S	S	*	*			trans	-70.6	124.9	173.9	-74.2	6.1	0	0	0	109.6
348	S	26.9	Very low	28.2	Very low	100 Å²	100	120.3 Å²	120.3	70%	0.699	78%	0.777	S	S	*	*			trans	-145.3	135.4	161.4	-165.7	0	0	0	0	110.1	G346 T350	G346-S348 PolarHBondContact O-N 3.17Å; S348-T350 PolarHBondContact O-N 3.32Å
349	F	34.8	Very low	28.4	Very low	222 Å²	222	123 Å²	123	97%	0.974	78%	0.784	S	S	*	*			trans	-82.1	91.6	174.3	-110.1	-95.7	0	0	0	108.9
350	T	29.4	Very low	28.4	Very low	104 Å²	104	125.3 Å²	125.3	64%	0.638	78%	0.78	S	S	*	*			trans	-126	127.5	163.8	53.8	0	0	0	0	110.6	S348	S348-T350 PolarHBondContact O-N 3.32Å
351	S	27.4	Very low	28.8	Very low	102 Å²	102	130.8 Å²	130.8	71%	0.713	79%	0.787	S	S	*	*			trans	-144.4	74	161.1	-96.8	0	0	0	0	107.4	Q353	S351-Q353 PolarHBondContact O-N 3.03Å
352	D	30.9	Very low	29.1	Very low	155 Å²	155	134.1 Å²	134.1	83%	0.829	78%	0.783	S	S	*	*			trans	-63.4	79.6	149.7	-67.3	-63.5	0	0	0	107.6	S354	D352-S354 PolarHBondContact O-N 3.27Å
353	Q	28	Very low	29.1	Very low	152 Å²	152	134.1 Å²	134.1	71%	0.71	78%	0.782	S	S	*	*			trans	-75.8	114	162.8	-70.7	-172.8	3.6	0	0	106.7	S351 F355	S351-Q353 PolarHBondContact O-N 3.03Å; Q353-F355 PolarHBondContact O-N 3.19Å; Q353-F355 VanDerWaalsContact O-N 3.08Å
354	S	27.6	Very low	29.2	Very low	111 Å²	111	133.3 Å²	133.3	78%	0.776	77%	0.774	S	S	*	*			trans	-53.7	117.1	168.6	-48.4	0	0	0	0	108.2	D352 Q356	D352-S354 PolarHBondContact O-N 3.27Å; S354-Q356 PolarHBondContact O-N 3.14Å
355	F	32.9	Very low	29.3	Very low	158 Å²	158	137.5 Å²	137.5	69%	0.693	77%	0.773	S	S	*	*			trans	-68.7	81.9	177.3	-82.1	-86	0	0	0	109.9	Q353 C357 V554	Q353-F355 PolarHBondContact O-N 3.19Å; Q353-F355 VanDerWaalsContact O-N 3.08Å; F355-C357 PolarHBondContact O-N 2.76Å; F355-C357 VanDerWaalsContact O-N 3.1Å; F355-V554 HydrophobicContact CB-CG1 4.32Å; F355-V554 HydrophobicContact CD1-CG1 3.92Å; F355-V554 HydrophobicContact CD2-CG1 4.37Å; F355-V554 HydrophobicContact CE1-CG1 4.31Å; F355-V554 HydrophobicContact CG-CG1 3.96Å
356	Q	32	Very low	29.3	Very low	163 Å²	163	139.4 Å²	139.4	76%	0.762	77%	0.772	S	S	*	*			trans	-59.4	113.2	156	-74.6	-174.4	-30.3	0	0	106.9	S354 K358	S354-Q356 PolarHBondContact O-N 3.14Å; Q356-K358 VanDerWaalsContact C-N 3.28Å; Q356-K358 PolarHBondContact O-N 2.83Å
357	C	29.5	Very low	29.3	Very low	56 Å²	56	139.6 Å²	139.6	38%	0.378	77%	0.774	S	S	.	*			trans	-64	93.1	170	-65	0	0	0	0	107.6	F355 M540 H555	F355-C357 PolarHBondContact O-N 2.76Å; F355-C357 VanDerWaalsContact O-N 3.1Å; C357-M540 HydrophobicContact CB-CE 4.25Å; C357-H555 PolarHBondContact SG-CE1 3.31Å
358	K	29.1	Very low	29.1	Very low	159 Å²	159	139.3 Å²	139.3	69%	0.691	77%	0.766	S	S	*	*			trans	-73	143.2	166.9	-73.2	-177.2	175.4	179.3	0	108.5	Q356 E360	Q356-K358 VanDerWaalsContact C-N 3.28Å; Q356-K358 PolarHBondContact O-N 2.83Å; K358-E360 VanDerWaalsContact C-N 3.28Å; K358-E360 PolarHBondContact O-N 3.17Å
359	D	30.8	Very low	29.1	Very low	149 Å²	149	142.5 Å²	142.5	80%	0.797	78%	0.776	S	S	*	*			trans	-70.6	85.6	171.2	-59.3	-71.8	0	0	0	109.8	E361	D359-E361 VanDerWaalsContact C-N 3.28Å; D359-E361 PolarHBondContact O-N 3.4Å
360	E	27.9	Very low	28.7	Very low	177 Å²	177	139.9 Å²	139.9	83%	0.827	77%	0.766	S	S	*	*			trans	-74	85.4	165.8	-68.2	-170.5	163.8	0	0	108.8	K358 E362	K358-E360 VanDerWaalsContact C-N 3.28Å; K358-E360 PolarHBondContact O-N 3.17Å; E360-E362 PolarHBondContact O-N 3.36Å; E360-E362 VanDerWaalsContact O-N 3.09Å
361	E	33	Very low	28.6	Very low	185 Å²	185	140.1 Å²	140.1	86%	0.864	77%	0.772	S	S	*	*			trans	-63.2	105.7	163.6	-70.5	-157.1	128.6	0	0	109.3	D359 G363	D359-E361 VanDerWaalsContact C-N 3.28Å; D359-E361 PolarHBondContact O-N 3.4Å; E361-G363 PolarHBondContact O-N 3.5Å
362	E	32.1	Very low	28.7	Very low	189 Å²	189	144.3 Å²	144.3	88%	0.883	78%	0.781	S	S	*	*			trans	-73.8	72.6	-179	-166.5	176.2	-143.7	0	0	111.5	E360 G364	E360-E362 PolarHBondContact O-N 3.36Å; E360-E362 VanDerWaalsContact O-N 3.09Å; E362-G364 PolarHBondContact O-N 2.78Å
363	G	25.1	Very low	28.4	Very low	81 Å²	81	146.1 Å²	146.1	84%	0.835	78%	0.784	S	S	*	*			trans	-73.4	114.4	165.4	0	0	0	0	0	110.6	E361	E361-G363 PolarHBondContact O-N 3.5Å
364	G	25.2	Very low	28.6	Very low	70 Å²	70	144.3 Å²	144.3	72%	0.722	79%	0.788	S	S	*	*			trans	-164.7	3.7	-167.9	0	0	0	0	0	120.6	E362	E362-G364 PolarHBondContact O-N 2.78Å
365	E	28.2	Very low	28.5	Very low	168 Å²	168	142.8 Å²	142.8	79%	0.785	79%	0.79	S	S	*	*			trans	-108.1	109.1	163.1	-76.9	-161	153.8	0	0	108.7	K512	E365-K512 IonicContact OE1-NZ 3.1Å; E365-K512 PolarHBondContact OE1-NZ 3.3Å; E365-K512 VanDerWaalsContact OE1-NZ 3.1Å; E365-K512 IonicContact OE2-NZ 3.18Å; E365-K512 PolarHBondContact OE2-NZ 2.85Å
366	N	27.1	Very low	28.4	Very low	178 Å²	178	144 Å²	144	95%	0.952	80%	0.798	S	S	*	*			trans	-82.2	128.4	-178.5	-87.6	-30.4	0	0	0	112.5
367	G	26.7	Very low	28.3	Very low	74 Å²	74	142 Å²	142	76%	0.763	80%	0.802	S	S	*	*			trans	-166.8	120.3	168.2	0	0	0	0	0	109.6
368	Q	27.4	Very low	28.2	Very low	172 Å²	172	146.8 Å²	146.8	80%	0.804	82%	0.824	S	S	*	*			trans	-77	145.1	-171.6	-62.3	161	-98.9	0	0	112.4
369	D	25	Very low	28.1	Very low	167 Å²	167	142.7 Å²	142.7	89%	0.893	83%	0.827	S	S	*	*			trans	-143.1	158.6	142.7	-105	-40.9	0	0	0	109.5
370	H	28.3	Very low	27.9	Very low	167 Å²	167	145.1 Å²	145.1	77%	0.773	83%	0.833	S	S	*	*			trans	-100.8	147.2	-168.5	-87.1	-105.1	0	0	0	113.7
371	S	27.2	Very low	28	Very low	110 Å²	110	142.7 Å²	142.7	77%	0.769	84%	0.836	S	S	*	*			trans	-63.6	168.3	156.1	-41.1	0	0	0	0	110.5
372	E	28.6	Very low	27.8	Very low	190 Å²	190	139 Å²	139	89%	0.888	84%	0.837	S	S	*	*			cis	-134.9	178.6	19.7	-56.9	173.3	139.6	0	0	108.8
373	E	25.8	Very low	27.5	Very low	193 Å²	193	134.1 Å²	134.1	90%	0.902	84%	0.838	S	S	*	*				-162	158.5	66.8	-171.4	173.9	118.3	0	0	110.6
374	S	31.1	Very low	27.6	Very low	113 Å²	113	134.3 Å²	134.3	79%	0.79	84%	0.839	S	S	*	*			trans	-100.1	150.7	-176.7	53.4	0	0	0	0	113.8
375	G	26.6	Very low	27.7	Very low	80 Å²	80	135.2 Å²	135.2	83%	0.825	85%	0.848	S	S	*	*			trans	-147.5	111.8	172.9	0	0	0	0	0	111.9
376	Q	30.6	Very low	27.5	Very low	183 Å²	183	131.1 Å²	131.1	86%	0.855	85%	0.852	S	S	*	*			trans	-94.7	145	174	-67.3	172.7	-104.3	0	0	111
377	S	28.2	Very low	27.5	Very low	120 Å²	120	126.7 Å²	126.7	84%	0.839	85%	0.848	S	S	*	*			trans	-158.4	149.6	153.2	50.2	0	0	0	0	110.9
378	D	27.8	Very low	27.5	Very low	157 Å²	157	128.4 Å²	128.4	84%	0.84	86%	0.855	S	S	*	*			trans	-108.9	161.3	-168.5	-58	-89.1	0	0	0	113.5
379	G	28.2	Very low	27.5	Very low	73 Å²	73	124 Å²	124	75%	0.753	86%	0.856	S	S	*	*			trans	93.2	149.3	166.2	0	0	0	0	0	115.8
380	E	25.7	Very low	27.8	Very low	201 Å²	201	120.1 Å²	120.1	94%	0.939	86%	0.855	S	S	*	*			cis	-144.6	177	-5.8	-84.5	-164.2	79.3	0	0	110.8
381	S	29.4	Very low	27.7	Very low	125 Å²	125	115.3 Å²	115.3	87%	0.874	85%	0.85	S	S	*	*			trans	-101.9	135.1	-166.7	-67.6	0	0	0	0	116.4
382	A	28.9	Very low	27.8	Very low	109 Å²	109	119.3 Å²	119.3	90%	0.901	86%	0.856	S	S	*	*			trans	-171.7	147.5	140	0	0	0	0	0	109.9
383	G	27.4	Very low	28.2	Very low	86 Å²	86	118.2 Å²	118.2	89%	0.887	85%	0.851	S	S	*	*			cis	153.8	95.8	-4.7	0	0	0	0	0	112
384	G	26.7	Very low	28.5	Very low	85 Å²	85	112.3 Å²	112.3	88%	0.876	83%	0.831	S	S	*	*			trans	161.1	136.2	178.3	0	0	0	0	0	111.6
385	G	26.4	Very low	28.7	Very low	88 Å²	88	110.6 Å²	110.6	91%	0.907	82%	0.824	S	S	*	*			trans	-133.1	168.1	-169.3	0	0	0	0	0	115.2
386	G	25.5	Very low	29.5	Very low	83 Å²	83	111.1 Å²	111.1	86%	0.856	81%	0.808	S	S	*	*			trans	-179.9	133.3	175.7	0	0	0	0	0	108.8
387	G	26.9	Very low	30	Very low	85 Å²	85	106 Å²	106	88%	0.876	78%	0.781	S	S	*	*			trans	-112.2	129.1	-164.8	0	0	0	0	0	115.4
388	A	26.6	Very low	30.7	Very low	110 Å²	110	102.6 Å²	102.6	91%	0.909	76%	0.755	S	S	*	*			trans	-172.6	157	158.2	0	0	0	0	0	107.1
389	G	26.5	Very low	31.4	Very low	80 Å²	80	102.1 Å²	102.1	83%	0.825	74%	0.742	S	S	*	*			cis	159.6	41	1.2	0	0	0	0	0	113.4
390	G	30.8	Very low	31.9	Very low	85 Å²	85	106.1 Å²	106.1	88%	0.876	74%	0.735	S	S	*	*			trans	82.6	151.3	-178.7	0	0	0	0	0	114.9
391	G	27.3	Very low	32.6	Very low	65 Å²	65	103.2 Å²	103.2	67%	0.67	72%	0.721	S	S	*	*			trans	144.9	41.2	174.1	0	0	0	0	0	118.9	H393	G391-H393 PolarHBondContact O-N 3.33Å
392	H	29.9	Very low	32.8	Very low	194 Å²	194	104 Å²	104	90%	0.898	71%	0.711	S	S	*	*			trans	-75.8	43.8	178.2	-85.9	-89.5	0	0	0	114.7
393	H	35.6	Very low	33.2	Very low	168 Å²	168	103 Å²	103	78%	0.778	71%	0.712	S	S	*	*			trans	-138.2	82	-176.5	-70.6	-25.6	0	0	0	113	G391	G391-H393 PolarHBondContact O-N 3.33Å
394	S	32.4	Very low	33.7	Very low	69 Å²	69	105 Å²	105	48%	0.483	70%	0.696	S	S	.	*	S	Bend	trans	-159.3	-42.7	167.8	57.7	0	0	0	0	114.2	N396	S394-N396 VanDerWaalsContact C-N 3.33Å; S394-N396 PolarHBondContact O-N 3.46Å; S394-N396 VanDerWaalsContact O-N 3.14Å
395	A	36	Very low	34.2	Very low	77 Å²	77	109.9 Å²	109.9	64%	0.636	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-58.2	-32.2	-168.4	0	0	0	0	0	116.1	Y397	A395-Y397 VanDerWaalsContact C-N 3.28Å; A395-Y397 PolarHBondContact O-N 3.42Å
396	N	42.2	Very low	34.7	Very low	90 Å²	90	109.3 Å²	109.3	48%	0.481	68%	0.676	S	S	.	*	G	3₁₀ helix	trans	-82.3	4.5	-166.6	-63.7	16.1	0	0	0	115.2	S394 L528 L530	S394-N396 VanDerWaalsContact C-N 3.33Å; S394-N396 PolarHBondContact O-N 3.46Å; S394-N396 VanDerWaalsContact O-N 3.14Å; N396-L528 PolarHBondContact ND2-O 3.31Å; N396-L530 HydrophobicContact CB-CD2 4.13Å
397	Y	41.2	Very low	35.5	Very low	76 Å²	76	108.6 Å²	108.6	30%	0.298	66%	0.662	S	S	.	*	G	3₁₀ helix	trans	-113	-7	-176.8	-65.1	-82	0	0	0	114.5	A395 V432 L530	A395-Y397 VanDerWaalsContact C-N 3.28Å; A395-Y397 PolarHBondContact O-N 3.42Å; Y397-V432 HydrophobicContact CD1-CG1 3.98Å; Y397-V432 HydrophobicContact CD2-CG1 3.9Å; Y397-V432 HydrophobicContact CE1-CG1 4.38Å; Y397-V432 HydrophobicContact CE2-CG1 4.3Å; Y397-V432 HydrophobicContact CG-CG1 3.72Å; Y397-L530 HydrophobicContact CD1-CD1 4.16Å; Y397-L530 HydrophobicContact CD1-CD2 4.28Å; Y397-L530 HydrophobicContact CE1-CD1 3.86Å; Y397-L530 HydrophobicContact CE1-CD2 3.63Å; Y397-L530 HydrophobicContact CE1-CG 4.41Å; Y397-L530 HydrophobicContact CE2-CD2 4.17Å
398	V	42.7	Very low	35.9	Very low	48 Å²	48	115.6 Å²	115.6	29%	0.291	67%	0.669	S	S	.	*			trans	-107.7	113.5	-169.9	-174.5	0	0	0	0	110.6	Y413 L428	V398-Y413 HydrophobicContact CG1-CD1 3.86Å; V398-Y413 HydrophobicContact CG1-CE1 4.07Å; V398-L428 HydrophobicContact CB-CD2 4.47Å; V398-L428 HydrophobicContact CG1-CD2 4.28Å; V398-L428 HydrophobicContact CG2-CD2 4.02Å
399	Y	43.4	Very low	36.9	Very low	147 Å²	147	113.6 Å²	113.6	58%	0.576	66%	0.659	S	S	*	*			trans	-97.6	118.6	164.5	-179.4	-93.2	0	0	0	109.4	Q401	Y399-Q401 HydrophobicContact CE1-CB 4.13Å
400	R	38.8	Very low	38.1	Very low	158 Å²	158	113.4 Å²	113.4	60%	0.596	64%	0.639	S	S	*	*	B	Isolated β-bridge	trans	-94.7	122.5	172.3	-173.2	-171.2	-169.6	-149	8.7	108.9	E402	R400-E402 HydrophobicContact CG-CG 4.37Å; R400-E402 IonicContact CZ-OE1 2.62Å; R400-E402 IonicContact NH1-OE1 3.37Å; R400-E402 PolarHBondContact NH1-OE1 2.9Å; R400-E402 PolarHBondContact O-N 2.8Å
401	Q	39.5	Very low	39.5	Very low	139 Å²	139	113.6 Å²	113.6	65%	0.65	62%	0.62	S	S	*	*			trans	-82.4	104.2	171.3	-172.1	165.3	-8.3	0	0	109.4	Y399	Y399-Q401 HydrophobicContact CE1-CB 4.13Å
402	E	33.3	Very low	41.2	Very low	143 Å²	143	113.3 Å²	113.3	67%	0.668	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	145.4	-178.3	-52.5	-148.9	123.9	0	0	111.8	R400	R400-E402 HydrophobicContact CG-CG 4.37Å; R400-E402 IonicContact CZ-OE1 2.62Å; R400-E402 IonicContact NH1-OE1 3.37Å; R400-E402 PolarHBondContact NH1-OE1 2.9Å; R400-E402 PolarHBondContact O-N 2.8Å
403	G	39	Very low	42.9	Very low	88 Å²	88	106.6 Å²	106.6	91%	0.907	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	104.1	9.2	178.5	0	0	0	0	0	116.7
404	F	36.7	Very low	44.4	Very low	126 Å²	126	101.9 Å²	101.9	55%	0.553	55%	0.553	S	S	*	*			trans	-117.3	122.9	179.6	-155.8	-99.5	0	0	0	111.6	P406	F404-P406 WeakPolarHBondContact O-CD 3.22Å
405	E	36.9	Very low	46.1	Very low	188 Å²	188	98.6 Å²	98.6	88%	0.879	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-82.4	117.4	163.6	-71.3	-142.7	137.2	0	0	108.9	A407	E405-A407 PolarHBondContact O-N 2.98Å
406	P	37.8	Very low	47.3	Very low	77 Å²	77	97.1 Å²	97.1	50%	0.5	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-79.6	126.2	-169.8	29	-33.1	0	0	0	113	F404 L412	F404-P406 WeakPolarHBondContact O-CD 3.22Å; P406-L412 HydrophobicContact CB-CD1 3.8Å; P406-L412 HydrophobicContact CB-CD2 4.09Å; P406-L412 HydrophobicContact CB-CG 4.37Å; P406-L412 HydrophobicContact CG-CD1 4.35Å; P406-L412 HydrophobicContact CG-CD2 4.32Å
407	A	42.6	Very low	48.2	Very low	68 Å²	68	94.8 Å²	94.8	56%	0.562	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-69.2	155.4	158.2	0	0	0	0	0	110.2	E405 G409	E405-A407 PolarHBondContact O-N 2.98Å; A407-G409 PolarHBondContact O-N 3.11Å
408	F	34.3	Very low	49.2	Very low	232 Å²	232	93.8 Å²	93.8	100%	1.018	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	94.6	175.5	-94.7	-96.1	0	0	0	111
409	G	48.2	Very low	50	Low	67 Å²	67	94.1 Å²	94.1	69%	0.691	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	152.9	-18.6	173.4	0	0	0	0	0	115.7	A407	A407-G409 PolarHBondContact O-N 3.11Å
410	D	52.7	Low	51.2	Low	76 Å²	76	91.9 Å²	91.9	41%	0.406	51%	0.51	S	S	.	.			trans	-80.8	135.7	-173.3	-65.9	-49.9	0	0	0	113.3	L412	D410-L412 WeakPolarHBondContact O-CD1 3.36Å; D410-L412 PolarHBondContact O-N 3.11Å; D410-L412 VanDerWaalsContact O-N 3.14Å
411	N	60.1	Low	52.6	Low	89 Å²	89	85.7 Å²	85.7	48%	0.476	50%	0.496	S	S	.	.			trans	-84.1	81.9	-180	-79.1	-37.4	0	0	0	111.4	Y413 F422 P423	N411-Y413 PolarHBondContact O-N 2.96Å; N411-F422 CarbonylContact C-O 3.52Å; N411-F422 VanDerWaalsContact C-O 3.29Å; N411-F422 WeakPolarHBondContact CA-O 3.09Å; N411-F422 WeakPolarHBondContact OD1-CA 3.29Å; N411-P423 WeakPolarHBondContact OD1-CD 3.48Å
412	L	62.2	Low	54.2	Low	59 Å²	59	80.8 Å²	80.8	31%	0.309	47%	0.472	S	S	.	.			trans	-63.6	-18.6	-177.6	-64.8	108.2	0	0	0	115.1	P406 D410 F422	P406-L412 HydrophobicContact CB-CD1 3.8Å; P406-L412 HydrophobicContact CB-CD2 4.09Å; P406-L412 HydrophobicContact CB-CG 4.37Å; P406-L412 HydrophobicContact CG-CD1 4.35Å; P406-L412 HydrophobicContact CG-CD2 4.32Å; D410-L412 WeakPolarHBondContact O-CD1 3.36Å; D410-L412 PolarHBondContact O-N 3.11Å; D410-L412 VanDerWaalsContact O-N 3.14Å; L412-F422 PolarHBondContact N-O 3.36Å
413	Y	64.8	Low	55.7	Low	54 Å²	54	77.1 Å²	77.1	21%	0.212	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.9	-170.2	-65.4	-83.5	0	0	0	110.7	V398 N411 G421 F422 S424 L428	V398-Y413 HydrophobicContact CG1-CD1 3.86Å; V398-Y413 HydrophobicContact CG1-CE1 4.07Å; N411-Y413 PolarHBondContact O-N 2.96Å; Y413-G421 CarbonylContact O-C 2.94Å; Y413-G421 WeakPolarHBondContact O-CA 3.49Å; Y413-F422 PolarHBondContact N-O 3.26Å; Y413-F422 PolarHBondContact O-N 3.02Å; Y413-S424 VanDerWaalsContact CD2-C 3.41Å; Y413-L428 HydrophobicContact CD1-CD2 4.39Å
414	V	67.7	Low	57.1	Low	68 Å²	68	74.3 Å²	74.3	41%	0.412	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.6	-176.9	-176.9	0	0	0	0	111.4	I416	V414-I416 PolarHBondContact O-N 2.79Å
415	C	68.3	Low	58.4	Low	0 Å²	0	70 Å²	70	0%	0	41%	0.413	C	S	.	.			trans	-73.1	108.8	175.5	-170.4	0	0	0	0	110.7	C418 G419 K420 F422 L428 H431 H435	C415-C418 PolarHBondContact O-N 3.27Å; C415-C418 VanDerWaalsContact SG-SG 3.69Å; C415-G419 WeakPolarHBondContact O-CA 3.36Å; C415-G419 PolarHBondContact O-N 2.98Å; C415-K420 PolarHBondContact N-O 3.49Å; C415-F422 HydrophobicContact CB-CE2 3.98Å; C415-L428 HydrophobicContact CB-CD1 3.47Å; C415-L428 VanDerWaalsContact CB-CD1 3.47Å; C415-H431 VanDerWaalsContact SG-CD2 3.54Å; C415-H435 PolarHBondContact SG-NE2 3.49Å
416	I	60.2	Low	60.1	Low	47 Å²	47	68.7 Å²	68.7	24%	0.241	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-37.8	-171.6	-58	176.9	0	0	0	113.7	V414 C418 L528	V414-I416 PolarHBondContact O-N 2.79Å; I416-C418 PolarHBondContact O-N 3.09Å; I416-L528 HydrophobicContact CD1-CD1 3.7Å; I416-L528 HydrophobicContact CG2-CD1 4.31Å
417	P	61.5	Low	61.4	Low	41 Å²	41	69.9 Å²	69.9	27%	0.266	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-38.5	174.7	-29.2	36	0	0	0	115.5	L440	P417-L440 HydrophobicContact CB-CD2 4.34Å; P417-L440 HydrophobicContact CG-CD2 4.5Å
418	C	62.1	Low	62.9	Low	54 Å²	54	66.7 Å²	66.7	37%	0.365	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-12	-167.7	70.2	0	0	0	0	115.3	C415 I416 K420 H431	C415-C418 PolarHBondContact O-N 3.27Å; C415-C418 VanDerWaalsContact SG-SG 3.69Å; I416-C418 PolarHBondContact O-N 3.09Å; C418-K420 VanDerWaalsContact C-N 3.34Å; C418-K420 PolarHBondContact O-N 3.01Å; C418-K420 VanDerWaalsContact SG-CG 3.57Å; C418-H431 PolarHBondContact SG-NE2 2.87Å
419	G	59.3	Low	64.3	Low	55 Å²	55	57.8 Å²	57.8	57%	0.567	34%	0.342	S	S	*	.			trans	77.3	7.8	-179	0	0	0	0	0	115.8	C415	C415-G419 WeakPolarHBondContact O-CA 3.36Å; C415-G419 PolarHBondContact O-N 2.98Å
420	K	70.4	Confident	65.5	Low	100 Å²	100	57.1 Å²	57.1	44%	0.435	33%	0.33	S	S	.	.			trans	-71.7	132.1	176.5	-66.6	171.9	-167.2	159.9	0	110.4	C415 C418 F422	C415-K420 PolarHBondContact N-O 3.49Å; C418-K420 VanDerWaalsContact C-N 3.34Å; C418-K420 PolarHBondContact O-N 3.01Å; C418-K420 VanDerWaalsContact SG-CG 3.57Å; K420-F422 HydrophobicContact CB-CE2 3.59Å; K420-F422 HydrophobicContact CB-CZ 3.86Å; K420-F422 HydrophobicContact CD-CZ 4.46Å; K420-F422 WeakPolarHBondContact O-CD2 3.46Å; K420-F422 WeakPolarHBondContact O-CE2 3.24Å
421	G	66.4	Low	66.5	Low	29 Å²	29	54.3 Å²	54.3	30%	0.299	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	146.3	174.2	0	0	0	0	0	112.5	Y413	Y413-G421 CarbonylContact O-C 2.94Å; Y413-G421 WeakPolarHBondContact O-CA 3.49Å
422	F	73.2	Confident	66.7	Low	35 Å²	35	51.1 Å²	51.1	15%	0.154	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147.9	-178.4	-61.8	-89.9	0	0	0	110.8	N411 L412 Y413 C415 K420 Q427 L428 H431	N411-F422 CarbonylContact C-O 3.52Å; N411-F422 VanDerWaalsContact C-O 3.29Å; N411-F422 WeakPolarHBondContact CA-O 3.09Å; N411-F422 WeakPolarHBondContact OD1-CA 3.29Å; L412-F422 PolarHBondContact N-O 3.36Å; Y413-F422 PolarHBondContact N-O 3.26Å; Y413-F422 PolarHBondContact O-N 3.02Å; C415-F422 HydrophobicContact CB-CE2 3.98Å; K420-F422 HydrophobicContact CB-CE2 3.59Å; K420-F422 HydrophobicContact CB-CZ 3.86Å; K420-F422 HydrophobicContact CD-CZ 4.46Å; K420-F422 WeakPolarHBondContact O-CD2 3.46Å; K420-F422 WeakPolarHBondContact O-CE2 3.24Å; F422-Q427 HydrophobicContact CB-CB 4.36Å; F422-Q427 HydrophobicContact CD1-CB 3.99Å; F422-L428 HydrophobicContact CB-CB 4.3Å; F422-L428 HydrophobicContact CD2-CB 4.25Å; F422-L428 HydrophobicContact CD2-CD1 3.96Å; F422-L428 HydrophobicContact CE2-CD1 4.27Å; F422-L428 HydrophobicContact CG-CB 4.36Å; F422-H431 HydrophobicContact CE1-CB 3.93Å; F422-H431 HydrophobicContact CE2-CB 4.17Å; F422-H431 AromaticContact CE2-CD2 3.36Å; F422-H431 WeakPolarHBondContact CE2-CD2 3.32Å; F422-H431 AromaticContact CE2-CG 3.99Å; F422-H431 HydrophobicContact CZ-CB 3.59Å; F422-H431 AromaticContact CZ-CD2 3.22Å; F422-H431 WeakPolarHBondContact CZ-CD2 3.47Å; F422-H431 AromaticContact CZ-CG 3.43Å; F422-H431 VanDerWaalsContact CZ-CG 3.43Å
423	P	64.9	Low	67	Low	66 Å²	66	55 Å²	55	43%	0.429	32%	0.315	S	S	.	.	S	Bend	trans	-81.3	-14.5	179.6	33.1	-36.4	0	0	0	113.5	N411 Q427	N411-P423 WeakPolarHBondContact OD1-CD 3.48Å; P423-Q427 VanDerWaalsContact CD-OE1 3.31Å; P423-Q427 VanDerWaalsContact CG-OE1 3.3Å
424	S	69.2	Low	66.9	Low	30 Å²	30	56.3 Å²	56.3	21%	0.21	33%	0.328	C	S	.	.	S	Bend	trans	-139.9	152.5	177	77.4	0	0	0	0	113.1	Y413 E426 Q427 L428	Y413-S424 VanDerWaalsContact CD2-C 3.41Å; S424-E426 PolarHBondContact O-N 3.27Å; S424-Q427 PolarHBondContact O-N 2.81Å; S424-Q427 WeakPolarHBondContact OG-CG 3.18Å; S424-Q427 PolarHBondContact OG-N 3.02Å; S424-L428 PolarHBondContact O-N 3.36Å
425	S	64.4	Low	66.7	Low	35 Å²	35	54.1 Å²	54.1	25%	0.245	31%	0.314	C	S	.	.	H	α-helix	trans	-65.1	-26.1	176.8	-164.8	0	0	0	0	112.7	N429	S425-N429 WeakPolarHBondContact O-CB 3.4Å; S425-N429 PolarHBondContact O-N 2.89Å; S425-N429 PolarHBondContact O-OD1 3.09Å
426	E	71.8	Confident	65.7	Low	160 Å²	160	59 Å²	59	75%	0.748	34%	0.344	S	S	*	.	H	α-helix	trans	-69.9	-42.1	177.5	-63.6	168.6	163.9	0	0	111	S424 N429 A430	S424-E426 PolarHBondContact O-N 3.27Å; E426-N429 PolarHBondContact O-N 3.29Å; E426-A430 WeakPolarHBondContact O-CB 3.2Å; E426-A430 PolarHBondContact O-N 2.96Å
427	Q	66.4	Low	65.3	Low	103 Å²	103	64.9 Å²	64.9	48%	0.481	37%	0.37	S	S	.	.	H	α-helix	trans	-70.7	-34.4	175	-67.5	175.7	15.9	0	0	111.7	F422 P423 S424 H431	F422-Q427 HydrophobicContact CB-CB 4.36Å; F422-Q427 HydrophobicContact CD1-CB 3.99Å; P423-Q427 VanDerWaalsContact CD-OE1 3.31Å; P423-Q427 VanDerWaalsContact CG-OE1 3.3Å; S424-Q427 PolarHBondContact O-N 2.81Å; S424-Q427 WeakPolarHBondContact OG-CG 3.18Å; S424-Q427 PolarHBondContact OG-N 3.02Å; Q427-H431 WeakPolarHBondContact O-CB 3.35Å; Q427-H431 PolarHBondContact O-N 3.32Å; Q427-H431 VanDerWaalsContact O-N 3.13Å
428	L	72.9	Confident	64.4	Low	0 Å²	0	69.7 Å²	69.7	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-62.3	-49.4	168.7	173.3	60.1	0	0	0	111.1	V398 Y413 C415 F422 S424 H431 V432	V398-L428 HydrophobicContact CB-CD2 4.47Å; V398-L428 HydrophobicContact CG1-CD2 4.28Å; V398-L428 HydrophobicContact CG2-CD2 4.02Å; Y413-L428 HydrophobicContact CD1-CD2 4.39Å; C415-L428 HydrophobicContact CB-CD1 3.47Å; C415-L428 VanDerWaalsContact CB-CD1 3.47Å; F422-L428 HydrophobicContact CB-CB 4.3Å; F422-L428 HydrophobicContact CD2-CB 4.25Å; F422-L428 HydrophobicContact CD2-CD1 3.96Å; F422-L428 HydrophobicContact CE2-CD1 4.27Å; F422-L428 HydrophobicContact CG-CB 4.36Å; S424-L428 PolarHBondContact O-N 3.36Å; L428-H431 CarbonylContact O-C 3.27Å; L428-H431 WeakPolarHBondContact O-CA 3.5Å; L428-H431 WeakPolarHBondContact O-CB 3.41Å; L428-H431 PolarHBondContact O-N 3.23Å; L428-H431 VanDerWaalsContact O-N 3.1Å; L428-V432 HydrophobicContact CD1-CG2 3.86Å; L428-V432 HydrophobicContact CG-CG2 4.25Å; L428-V432 WeakPolarHBondContact O-CG2 3.34Å; L428-V432 PolarHBondContact O-N 2.88Å
429	N	63.1	Low	63.6	Low	45 Å²	45	72.3 Å²	72.3	24%	0.241	40%	0.401	C	S	.	.	H	α-helix	trans	-63.6	-46	-177.2	-71.7	-3.2	0	0	0	111.5	S425 E426 H431 V432 E433	S425-N429 WeakPolarHBondContact O-CB 3.4Å; S425-N429 PolarHBondContact O-N 2.89Å; S425-N429 PolarHBondContact O-OD1 3.09Å; E426-N429 PolarHBondContact O-N 3.29Å; N429-H431 PolarHBondContact O-N 3.04Å; N429-V432 CarbonylContact O-C 3.56Å; N429-V432 PolarHBondContact O-N 3.16Å; N429-E433 WeakPolarHBondContact O-CG 3.48Å; N429-E433 PolarHBondContact O-N 3.35Å
430	A	73.6	Confident	62.9	Low	53 Å²	53	71.8 Å²	71.8	44%	0.438	38%	0.384	S	S	.	.	H	α-helix	trans	-58.7	-32.5	173.5	0	0	0	0	0	112.4	E426 T434	E426-A430 WeakPolarHBondContact O-CB 3.2Å; E426-A430 PolarHBondContact O-N 2.96Å; A430-T434 PolarHBondContact O-N 3.06Å
431	H	73.8	Confident	61.5	Low	18 Å²	18	74.9 Å²	74.9	8%	0.083	40%	0.395	C	S	.	.	H	α-helix	trans	-76.1	-37.6	172	176.2	40.9	0	0	0	113.3	C415 C418 F422 Q427 L428 N429 E433 T434 H435	C415-H431 VanDerWaalsContact SG-CD2 3.54Å; C418-H431 PolarHBondContact SG-NE2 2.87Å; F422-H431 HydrophobicContact CE1-CB 3.93Å; F422-H431 HydrophobicContact CE2-CB 4.17Å; F422-H431 AromaticContact CE2-CD2 3.36Å; F422-H431 WeakPolarHBondContact CE2-CD2 3.32Å; F422-H431 AromaticContact CE2-CG 3.99Å; F422-H431 HydrophobicContact CZ-CB 3.59Å; F422-H431 AromaticContact CZ-CD2 3.22Å; F422-H431 WeakPolarHBondContact CZ-CD2 3.47Å; F422-H431 AromaticContact CZ-CG 3.43Å; F422-H431 VanDerWaalsContact CZ-CG 3.43Å; Q427-H431 WeakPolarHBondContact O-CB 3.35Å; Q427-H431 PolarHBondContact O-N 3.32Å; Q427-H431 VanDerWaalsContact O-N 3.13Å; L428-H431 CarbonylContact O-C 3.27Å; L428-H431 WeakPolarHBondContact O-CA 3.5Å; L428-H431 WeakPolarHBondContact O-CB 3.41Å; L428-H431 PolarHBondContact O-N 3.23Å; L428-H431 VanDerWaalsContact O-N 3.1Å; N429-H431 PolarHBondContact O-N 3.04Å; H431-E433 PolarHBondContact O-N 3.25Å; H431-T434 WeakPolarHBondContact CA-OG1 3.45Å; H431-T434 PolarHBondContact ND1-OG1 2.64Å; H431-T434 WeakPolarHBondContact O-CA 3.24Å; H431-T434 PolarHBondContact O-N 2.8Å; H431-T434 PolarHBondContact O-OG1 3.24Å; H431-H435 AromaticContact CE1-CE1 3.4Å; H431-H435 PolarHBondContact CE1-CE1 3.48Å; H431-H435 VanDerWaalsContact CE1-CE1 3.4Å; H431-H435 AromaticContact CE1-NE2 3.57Å; H431-H435 AromaticContact NE2-CE1 3.6Å; H431-H435 AromaticContact NE2-NE2 3.36Å; H431-H435 PolarHBondContact NE2-NE2 3.24Å; H431-H435 PolarHBondContact O-N 3.34Å
432	V	65.4	Low	60.2	Low	21 Å²	21	77.6 Å²	77.6	13%	0.127	40%	0.401	C	S	.	.	H	α-helix	trans	-62.6	-34.7	172.9	170.3	0	0	0	0	110.5	Y397 L428 N429 T434 H435	Y397-V432 HydrophobicContact CD1-CG1 3.98Å; Y397-V432 HydrophobicContact CD2-CG1 3.9Å; Y397-V432 HydrophobicContact CE1-CG1 4.38Å; Y397-V432 HydrophobicContact CE2-CG1 4.3Å; Y397-V432 HydrophobicContact CG-CG1 3.72Å; L428-V432 HydrophobicContact CD1-CG2 3.86Å; L428-V432 HydrophobicContact CG-CG2 4.25Å; L428-V432 WeakPolarHBondContact O-CG2 3.34Å; L428-V432 PolarHBondContact O-N 2.88Å; N429-V432 CarbonylContact O-C 3.56Å; N429-V432 PolarHBondContact O-N 3.16Å; V432-T434 VanDerWaalsContact C-N 3.3Å; V432-T434 PolarHBondContact O-N 3.46Å; V432-H435 WeakPolarHBondContact O-CB 3.44Å; V432-H435 PolarHBondContact O-N 3.37Å
433	E	67.3	Low	58.3	Low	142 Å²	142	83 Å²	83	66%	0.664	43%	0.425	S	S	*	.	H	α-helix	trans	-66.1	-27.6	170.8	-71.8	165.8	-159.2	0	0	112.8	N429 H431 H435	N429-E433 WeakPolarHBondContact O-CG 3.48Å; N429-E433 PolarHBondContact O-N 3.35Å; H431-E433 PolarHBondContact O-N 3.25Å; E433-H435 PolarHBondContact O-N 3.13Å
434	T	63.8	Low	57.1	Low	80 Å²	80	88.1 Å²	88.1	49%	0.491	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-7.7	168.9	61.4	0	0	0	0	114.3	A430 H431 V432 T436	A430-T434 PolarHBondContact O-N 3.06Å; H431-T434 WeakPolarHBondContact CA-OG1 3.45Å; H431-T434 PolarHBondContact ND1-OG1 2.64Å; H431-T434 WeakPolarHBondContact O-CA 3.24Å; H431-T434 PolarHBondContact O-N 2.8Å; H431-T434 PolarHBondContact O-OG1 3.24Å; V432-T434 VanDerWaalsContact C-N 3.3Å; V432-T434 PolarHBondContact O-N 3.46Å; T434-T436 PolarHBondContact O-N 3.36Å
435	H	61.8	Low	55.5	Low	23 Å²	23	93.6 Å²	93.6	11%	0.106	47%	0.465	C	S	.	.			trans	-82.9	49.8	169.3	-66.6	-42.3	0	0	0	111.8	C415 H431 V432 E433 E437 E439	C415-H435 PolarHBondContact SG-NE2 3.49Å; H431-H435 AromaticContact CE1-CE1 3.4Å; H431-H435 PolarHBondContact CE1-CE1 3.48Å; H431-H435 VanDerWaalsContact CE1-CE1 3.4Å; H431-H435 AromaticContact CE1-NE2 3.57Å; H431-H435 AromaticContact NE2-CE1 3.6Å; H431-H435 AromaticContact NE2-NE2 3.36Å; H431-H435 PolarHBondContact NE2-NE2 3.24Å; H431-H435 PolarHBondContact O-N 3.34Å; V432-H435 WeakPolarHBondContact O-CB 3.44Å; V432-H435 PolarHBondContact O-N 3.37Å; E433-H435 PolarHBondContact O-N 3.13Å; H435-E437 PolarHBondContact O-N 3.06Å; H435-E439 IonicContact CE1-OE2 3.45Å; H435-E439 PolarHBondContact CE1-OE2 2.77Å; H435-E439 IonicContact ND1-OE2 3.26Å; H435-E439 PolarHBondContact ND1-OE2 3Å
436	T	48	Very low	54.4	Low	103 Å²	103	95.8 Å²	95.8	63%	0.632	49%	0.493	S	S	*	.			trans	-66.9	101.5	167.3	50.3	0	0	0	0	109.6	T434 D438	T434-T436 PolarHBondContact O-N 3.36Å; T436-D438 PolarHBondContact O-N 3.06Å
437	E	51.4	Low	52.4	Low	169 Å²	169	91.5 Å²	91.5	79%	0.79	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	51.5	-55.7	162.2	-52.8	-165.3	137.6	0	0	117.9	H435 L440	H435-E437 PolarHBondContact O-N 3.06Å; E437-L440 PolarHBondContact O-N 3.34Å
438	D	42.6	Very low	50.5	Low	143 Å²	143	93 Å²	93	77%	0.765	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-68.7	-38.1	-179.5	-69.3	-41.6	0	0	0	114	T436 L440 Y441	T436-D438 PolarHBondContact O-N 3.06Å; D438-L440 PolarHBondContact O-N 2.81Å; D438-Y441 WeakPolarHBondContact O-CB 3.4Å; D438-Y441 PolarHBondContact O-N 2.92Å
439	E	46	Very low	48.3	Very low	109 Å²	109	101.7 Å²	101.7	51%	0.509	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-72	-9.2	177.4	-85	-145.3	153	0	0	113.7	H435	H435-E439 IonicContact CE1-OE2 3.45Å; H435-E439 PolarHBondContact CE1-OE2 2.77Å; H435-E439 IonicContact ND1-OE2 3.26Å; H435-E439 PolarHBondContact ND1-OE2 3Å
440	L	44.8	Very low	46.8	Very low	43 Å²	43	104.2 Å²	104.2	23%	0.225	56%	0.563	C	S	.	*	G	3₁₀ helix	trans	-79.4	-8.6	167.5	-70.1	179.2	0	0	0	112.9	P417 E437 D438 I442 P532	P417-L440 HydrophobicContact CB-CD2 4.34Å; P417-L440 HydrophobicContact CG-CD2 4.5Å; E437-L440 PolarHBondContact O-N 3.34Å; D438-L440 PolarHBondContact O-N 2.81Å; L440-I442 VanDerWaalsContact C-N 3.28Å; L440-I442 PolarHBondContact O-N 2.97Å; L440-P532 HydrophobicContact CD1-CB 3.7Å; L440-P532 HydrophobicContact CD1-CG 4.41Å
441	Y	40.3	Very low	45.1	Very low	166 Å²	166	107.2 Å²	107.2	65%	0.651	57%	0.567	S	S	*	*	S	Bend	trans	-73.9	82.9	165.1	-150.7	-87.6	0	0	0	109.2	D438 K443	D438-Y441 WeakPolarHBondContact O-CB 3.4Å; D438-Y441 PolarHBondContact O-N 2.92Å; Y441-K443 PolarHBondContact O-N 2.78Å
442	I	39.3	Very low	43.1	Very low	86 Å²	86	114.3 Å²	114.3	44%	0.441	60%	0.6	S	S	.	*			trans	-55	109.5	163.3	-62.9	176.3	0	0	0	106.1	L440 E444	L440-I442 VanDerWaalsContact C-N 3.28Å; L440-I442 PolarHBondContact O-N 2.97Å; I442-E444 PolarHBondContact O-N 2.85Å
443	K	34.3	Very low	41.7	Very low	149 Å²	149	119.7 Å²	119.7	65%	0.648	62%	0.624	S	S	*	*			trans	-67.1	97.8	-176.4	-160.3	-176.8	-178.1	-157.9	0	108.4	Y441 E445	Y441-K443 PolarHBondContact O-N 2.78Å; K443-E445 HydrophobicContact CB-CG 4.42Å; K443-E445 HydrophobicContact CD-CG 3.97Å; K443-E445 VanDerWaalsContact CD-OE1 3.32Å; K443-E445 WeakPolarHBondContact CD-OE1 3.48Å; K443-E445 WeakPolarHBondContact CE-OE1 3.21Å; K443-E445 HydrophobicContact CG-CG 3.88Å; K443-E445 IonicContact NZ-OE1 2.64Å; K443-E445 PolarHBondContact NZ-OE1 2.98Å; K443-E445 PolarHBondContact O-N 3.3Å
444	E	38.3	Very low	40.1	Very low	172 Å²	172	120.6 Å²	120.6	80%	0.804	63%	0.633	S	S	*	*			trans	-70.5	73.4	177.1	-67.3	-171.8	166.8	0	0	109.8	I442 G446	I442-E444 PolarHBondContact O-N 2.85Å; E444-G446 PolarHBondContact O-N 2.78Å; E444-G446 VanDerWaalsContact O-N 3.11Å
445	E	37.1	Very low	39.2	Very low	145 Å²	145	125 Å²	125	68%	0.678	65%	0.648	S	S	*	*			trans	-71.5	104.7	179.6	-66.8	-155.1	159.5	0	0	111.2	K443	K443-E445 HydrophobicContact CB-CG 4.42Å; K443-E445 HydrophobicContact CD-CG 3.97Å; K443-E445 VanDerWaalsContact CD-OE1 3.32Å; K443-E445 WeakPolarHBondContact CD-OE1 3.48Å; K443-E445 WeakPolarHBondContact CE-OE1 3.21Å; K443-E445 HydrophobicContact CG-CG 3.88Å; K443-E445 IonicContact NZ-OE1 2.64Å; K443-E445 PolarHBondContact NZ-OE1 2.98Å; K443-E445 PolarHBondContact O-N 3.3Å
446	G	40.8	Very low	37.9	Very low	81 Å²	81	133.1 Å²	133.1	84%	0.835	69%	0.686	S	S	*	*	S	Bend	trans	84.9	17.6	155.4	0	0	0	0	0	117.3	E444	E444-G446 PolarHBondContact O-N 2.78Å; E444-G446 VanDerWaalsContact O-N 3.11Å
447	G	29.4	Very low	37.5	Very low	71 Å²	71	136.1 Å²	136.1	73%	0.732	69%	0.693	S	S	*	*			trans	-81.6	115	164.9	0	0	0	0	0	111.1	F449	G447-F449 PolarHBondContact O-N 3.45Å
448	T	25.5	Very low	36.8	Very low	134 Å²	134	131.9 Å²	131.9	82%	0.822	69%	0.687	S	S	*	*			trans	-64.1	126	173.1	33.4	0	0	0	0	111	V450	T448-V450 PolarHBondContact O-N 2.82Å
449	F	27.8	Very low	36.8	Very low	182 Å²	182	133 Å²	133	80%	0.798	69%	0.688	S	S	*	*			trans	-60.2	107.5	176.8	177.3	-94.9	0	0	0	111.5	G447 K451	G447-F449 PolarHBondContact O-N 3.45Å; F449-K451 HydrophobicContact CE1-CG 4.23Å; F449-K451 HydrophobicContact CZ-CG 3.95Å
450	V	31.1	Very low	36.2	Very low	98 Å²	98	134.5 Å²	134.5	59%	0.594	70%	0.699	S	S	*	*			trans	-112.9	137.3	158.4	-177.7	0	0	0	0	106.7	T448 E452	T448-V450 PolarHBondContact O-N 2.82Å; V450-E452 HydrophobicContact CG1-CG 4.26Å; V450-E452 PolarHBondContact O-N 3.19Å; V450-E452 VanDerWaalsContact O-N 3.09Å
451	K	39	Very low	36.1	Very low	117 Å²	117	140.1 Å²	140.1	51%	0.509	73%	0.729	S	S	.	*			trans	-73	94.8	163.6	-83	-174	162.2	-159.3	0	108	F449	F449-K451 HydrophobicContact CE1-CG 4.23Å; F449-K451 HydrophobicContact CZ-CG 3.95Å
452	E	31.3	Very low	35.7	Very low	166 Å²	166	137.1 Å²	137.1	78%	0.776	73%	0.732	S	S	*	*			trans	-86.7	111.4	159.6	-75.1	168.6	-172.9	0	0	106.9	V450	V450-E452 HydrophobicContact CG1-CG 4.26Å; V450-E452 PolarHBondContact O-N 3.19Å; V450-E452 VanDerWaalsContact O-N 3.09Å
453	E	35.5	Very low	35.4	Very low	135 Å²	135	137.2 Å²	137.2	63%	0.631	75%	0.746	S	S	*	*			trans	-84.1	112.8	173.7	-61.1	-175.1	160.9	0	0	105.5	E455	E453-E455 PolarHBondContact O-N 2.92Å
454	D	33.8	Very low	35.6	Very low	161 Å²	161	136.5 Å²	136.5	86%	0.861	76%	0.756	S	S	*	*	S	Bend	trans	-67.5	52.6	-173.6	-79.4	-52.7	0	0	0	113.1
455	E	43.9	Very low	35.6	Very low	173 Å²	173	135.2 Å²	135.2	81%	0.808	76%	0.759	S	S	*	*			trans	-122.4	51.1	169.3	-70.1	-171.9	-174.1	0	0	109.7	E453 E457	E453-E455 PolarHBondContact O-N 2.92Å; E455-E457 PolarHBondContact O-N 3.26Å
456	E	36.3	Very low	35.4	Very low	193 Å²	193	130.8 Å²	130.8	90%	0.902	75%	0.753	S	S	*	*			trans	-67.5	92.3	167.9	-78.9	-162.3	140.4	0	0	110.7	A458	E456-A458 PolarHBondContact O-N 2.89Å
457	E	37.9	Very low	35.7	Very low	165 Å²	165	133.4 Å²	133.4	77%	0.771	76%	0.756	S	S	*	*			trans	-51.3	129.5	153.7	-101.9	-67.5	178.9	0	0	109.8	E455 E459	E455-E457 PolarHBondContact O-N 3.26Å; E457-E459 PolarHBondContact O-N 3.13Å; E457-E459 VanDerWaalsContact O-N 3.17Å
458	A	36.9	Very low	35.9	Very low	81 Å²	81	135.6 Å²	135.6	67%	0.669	76%	0.76	S	S	*	*			trans	-92.8	78.6	-173.2	0	0	0	0	0	110.3	E456 D460	E456-A458 PolarHBondContact O-N 2.89Å; A458-D460 VanDerWaalsContact C-N 3.26Å; A458-D460 PolarHBondContact O-N 3.48Å
459	E	42.9	Very low	36.4	Very low	167 Å²	167	134.4 Å²	134.4	78%	0.78	76%	0.756	S	S	*	*			trans	-59	75.8	174.8	-71.5	-83.5	-160.8	0	0	112.6	E457	E457-E459 PolarHBondContact O-N 3.13Å; E457-E459 VanDerWaalsContact O-N 3.17Å
460	D	33.7	Very low	37.3	Very low	139 Å²	139	136.2 Å²	136.2	74%	0.743	76%	0.764	S	S	*	*			trans	-91.9	97	172.2	-168.9	-0	0	0	0	110.3	A458 S462	A458-D460 VanDerWaalsContact C-N 3.26Å; A458-D460 PolarHBondContact O-N 3.48Å; D460-S462 VanDerWaalsContact C-N 3.32Å; D460-S462 PolarHBondContact O-N 3.16Å
461	L	42.5	Very low	37.8	Very low	162 Å²	162	134.5 Å²	134.5	85%	0.848	77%	0.767	S	S	*	*			trans	-68.5	81.2	-177	-73.1	171.3	0	0	0	112.8
462	S	33	Very low	38.4	Very low	102 Å²	102	134.4 Å²	134.4	71%	0.713	78%	0.781	S	S	*	*			trans	-119.8	120.7	166.3	-74.4	0	0	0	0	111.1	D460	D460-S462 VanDerWaalsContact C-N 3.32Å; D460-S462 PolarHBondContact O-N 3.16Å
463	A	31.9	Very low	39.5	Very low	89 Å²	89	131.7 Å²	131.7	74%	0.736	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-63.6	151.3	-170.8	0	0	0	0	0	114	V465	A463-V465 PolarHBondContact O-N 3.4Å
464	P	39.7	Very low	40.6	Very low	133 Å²	133	130.8 Å²	130.8	86%	0.864	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-69.5	122.4	-174.7	27.8	-35.4	0	0	0	112.4
465	V	38	Very low	42.3	Very low	145 Å²	145	129 Å²	129	88%	0.879	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-89.8	130.5	162.8	-166.8	0	0	0	0	107.8	A463	A463-V465 PolarHBondContact O-N 3.4Å
466	G	32.2	Very low	43.7	Very low	53 Å²	53	124.7 Å²	124.7	55%	0.546	74%	0.74	S	S	.	*	P	Polyproline II helix	trans	-63.5	165.6	-170.9	0	0	0	0	0	115.2	S468	G466-S468 PolarHBondContact O-N 3.37Å
467	P	46.5	Very low	45.6	Very low	136 Å²	136	119.1 Å²	119.1	88%	0.883	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-65.4	135	-173.3	27.5	-35.3	0	0	0	112.2
468	S	34.2	Very low	47.6	Very low	117 Å²	117	118.3 Å²	118.3	82%	0.818	71%	0.707	S	S	*	*			trans	-147.6	98.5	170.3	-78.9	0	0	0	0	111.7	G466	G466-S468 PolarHBondContact O-N 3.37Å
469	S	37.3	Very low	49.6	Very low	108 Å²	108	114.5 Å²	114.5	76%	0.755	68%	0.675	S	S	*	*			trans	21.3	119.3	152.6	-167.5	0	0	0	0	120	G471	S469-G471 PolarHBondContact O-N 3.05Å
470	F	46.1	Very low	50.7	Low	220 Å²	220	112.1 Å²	112.1	97%	0.965	67%	0.673	S	S	*	*			trans	26.2	85.5	142.2	-81.2	-92.8	0	0	0	117.6
471	G	40.3	Very low	52.1	Low	62 Å²	62	107 Å²	107	64%	0.639	65%	0.646	S	S	*	*			trans	-134.8	135.2	154.8	0	0	0	0	0	108.5	S469 E473	S469-G471 PolarHBondContact O-N 3.05Å; G471-E473 PolarHBondContact O-N 3.06Å
472	S	52.1	Low	53.5	Low	115 Å²	115	101.7 Å²	101.7	80%	0.804	62%	0.622	S	S	*	*			trans	-72	90.7	178.8	44.2	0	0	0	0	110.6	T474	S472-T474 PolarHBondContact O-N 2.9Å
473	E	54.6	Low	55.4	Low	110 Å²	110	101.3 Å²	101.3	51%	0.514	62%	0.619	S	S	.	*			trans	-66.2	79.2	169.4	-70.6	-157.9	170.5	0	0	110.9	G471 R475 K487	G471-E473 PolarHBondContact O-N 3.06Å; E473-R475 PolarHBondContact O-N 2.81Å; E473-R475 IonicContact OE2-CZ 2.73Å; E473-R475 IonicContact OE2-NE 3.83Å; E473-R475 PolarHBondContact OE2-NE 2.87Å; E473-R475 IonicContact OE2-NH2 3.71Å; E473-R475 PolarHBondContact OE2-NH2 3.43Å; E473-K487 VanDerWaalsContact CD-NZ 3.29Å; E473-K487 VanDerWaalsContact OE1-CE 3.24Å; E473-K487 WeakPolarHBondContact OE1-CE 3.4Å; E473-K487 IonicContact OE1-NZ 2.84Å; E473-K487 PolarHBondContact OE1-NZ 3.48Å; E473-K487 WeakPolarHBondContact OE2-CE 3.39Å; E473-K487 IonicContact OE2-NZ 3.03Å; E473-K487 PolarHBondContact OE2-NZ 3.26Å
474	T	58.2	Low	57.4	Low	115 Å²	115	103 Å²	103	71%	0.706	61%	0.61	S	S	*	*			trans	-59.6	112.9	159.4	52.9	0	0	0	0	107.6	S472 P476	S472-T474 PolarHBondContact O-N 2.9Å; T474-P476 WeakPolarHBondContact O-CD 3.49Å
475	R	69.9	Low	59.4	Low	123 Å²	123	99 Å²	99	46%	0.464	59%	0.585	S	S	.	*			trans	-103.8	73.9	170	-70.3	173	171.1	-142.6	11.3	108.2	E473 F477 S485 Y486 K487	E473-R475 PolarHBondContact O-N 2.81Å; E473-R475 IonicContact OE2-CZ 2.73Å; E473-R475 IonicContact OE2-NE 3.83Å; E473-R475 PolarHBondContact OE2-NE 2.87Å; E473-R475 IonicContact OE2-NH2 3.71Å; E473-R475 PolarHBondContact OE2-NH2 3.43Å; R475-F477 PolarHBondContact O-N 3.26Å; R475-S485 WeakPolarHBondContact CD-O 3.09Å; R475-S485 PolarHBondContact NH1-O 3.07Å; R475-Y486 CarbonylContact C-O 3.14Å; R475-Y486 VanDerWaalsContact CA-O 3.31Å; R475-Y486 WeakPolarHBondContact CA-O 3.11Å; R475-Y486 WeakPolarHBondContact CB-O 3.32Å; R475-K487 HydrophobicContact CG-CG 4.18Å
476	P	73.3	Confident	61.6	Low	83 Å²	83	94.4 Å²	94.4	54%	0.539	55%	0.552	S	S	.	*			trans	-69.8	-17.9	-168.8	30.6	-37.7	0	0	0	113	T474 K478	T474-P476 WeakPolarHBondContact O-CD 3.49Å; P476-K478 PolarHBondContact O-N 2.9Å; P476-K478 VanDerWaalsContact O-N 3.13Å
477	F	76.9	Confident	64	Low	76 Å²	76	96.9 Å²	96.9	33%	0.333	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	78.8	-176	-54.4	-63.4	0	0	0	110.5	R475 Y486 K487 P489 L492	R475-F477 PolarHBondContact O-N 3.26Å; F477-Y486 PolarHBondContact O-N 3.47Å; F477-K487 WeakPolarHBondContact CD2-O 3.29Å; F477-K487 WeakPolarHBondContact CE2-O 3.28Å; F477-P489 HydrophobicContact CD1-CG 4.14Å; F477-P489 HydrophobicContact CD2-CG 4.21Å; F477-P489 HydrophobicContact CE1-CG 3.78Å; F477-P489 HydrophobicContact CE2-CG 3.84Å; F477-P489 HydrophobicContact CG-CG 4.36Å; F477-P489 HydrophobicContact CZ-CG 3.62Å; F477-L492 HydrophobicContact CB-CB 4.18Å; F477-L492 HydrophobicContact CB-CD2 3.83Å
478	K	80.5	Confident	65.7	Low	148 Å²	148	94.5 Å²	94.5	64%	0.643	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	135.2	170.9	66.6	177.1	-177	174.5	0	111.4	P476	P476-K478 PolarHBondContact O-N 2.9Å; P476-K478 VanDerWaalsContact O-N 3.13Å
479	C	77	Confident	67.9	Low	1 Å²	1	92 Å²	92	1%	0.007	51%	0.509	C	S	.	.			trans	-72.3	128.8	170.2	-177.6	0	0	0	0	110.2	V481 S483 K484 Y486 L492 H499	C479-V481 VanDerWaalsContact C-N 3.25Å; C479-V481 PolarHBondContact O-N 3.14Å; C479-S483 WeakPolarHBondContact O-CA 3.35Å; C479-S483 PolarHBondContact O-N 3.38Å; C479-K484 WeakPolarHBondContact CB-O 3.38Å; C479-K484 PolarHBondContact N-O 3.2Å; C479-Y486 HydrophobicContact CB-CE2 4.44Å; C479-L492 HydrophobicContact CB-CD1 3.62Å; C479-H499 PolarHBondContact SG-NE2 2.98Å; C479-H499 VanDerWaalsContact SG-NE2 3.44Å
480	T	67.8	Low	69.9	Low	118 Å²	118	90.2 Å²	90.2	72%	0.724	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-18.4	178.9	51.2	0	0	0	0	113.6
481	V	63.2	Low	71.5	Confident	31 Å²	31	82.8 Å²	82.8	19%	0.188	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-31.6	-174.4	165.9	0	0	0	0	113.5	C479 H499 M513	C479-V481 VanDerWaalsContact C-N 3.25Å; C479-V481 PolarHBondContact O-N 3.14Å; V481-H499 HydrophobicContact CG1-CB 4.43Å; V481-H499 WeakPolarHBondContact CG1-CD2 3.19Å; V481-H499 WeakPolarHBondContact CG1-NE2 3.3Å; V481-M513 HydrophobicContact CG1-CB 3.94Å; V481-M513 HydrophobicContact CG1-CG 3.39Å; V481-M513 HydrophobicContact CG2-CG 4.46Å
482	C	70.5	Confident	73.5	Confident	50 Å²	50	80.7 Å²	80.7	34%	0.338	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.8	12.3	-179.2	75.5	0	0	0	0	114.9	K484 H495 H499	C482-K484 PolarHBondContact O-N 2.73Å; C482-H495 VanDerWaalsContact SG-CE1 3.54Å; C482-H495 PolarHBondContact SG-NE2 3.5Å; C482-H499 VanDerWaalsContact SG-CE1 3.52Å; C482-H499 PolarHBondContact SG-NE2 2.98Å; C482-H499 VanDerWaalsContact SG-NE2 3.37Å
483	S	73.6	Confident	74.7	Confident	95 Å²	95	83.8 Å²	83.8	66%	0.664	44%	0.442	S	S	*	.			trans	59.7	3.4	175.9	-57.8	0	0	0	0	117	C479	C479-S483 WeakPolarHBondContact O-CA 3.35Å; C479-S483 PolarHBondContact O-N 3.38Å
484	K	73.6	Confident	75.7	Confident	124 Å²	124	84.4 Å²	84.4	54%	0.539	45%	0.445	S	S	.	.			trans	-63.2	135.7	173.1	-69.3	-172.5	178.7	-167.7	0	110.6	C479 C482 Y486	C479-K484 WeakPolarHBondContact CB-O 3.38Å; C479-K484 PolarHBondContact N-O 3.2Å; C482-K484 PolarHBondContact O-N 2.73Å; K484-Y486 HydrophobicContact CB-CE2 3.64Å; K484-Y486 WeakPolarHBondContact O-CD2 3.35Å; K484-Y486 VanDerWaalsContact O-CE2 3.27Å; K484-Y486 WeakPolarHBondContact O-CE2 3.23Å
485	S	82.3	Confident	76.7	Confident	49 Å²	49	80.3 Å²	80.3	34%	0.343	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.5	-174.4	-63	0	0	0	0	113.1	R475	R475-S485 WeakPolarHBondContact CD-O 3.09Å; R475-S485 PolarHBondContact NH1-O 3.07Å
486	Y	83.8	Confident	76.8	Confident	48 Å²	48	76.3 Å²	76.3	19%	0.188	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	154.4	-170.8	-65.5	-88.1	0	0	0	112.4	R475 F477 C479 K484 L492 H495	R475-Y486 CarbonylContact C-O 3.14Å; R475-Y486 VanDerWaalsContact CA-O 3.31Å; R475-Y486 WeakPolarHBondContact CA-O 3.11Å; R475-Y486 WeakPolarHBondContact CB-O 3.32Å; F477-Y486 PolarHBondContact O-N 3.47Å; C479-Y486 HydrophobicContact CB-CE2 4.44Å; K484-Y486 HydrophobicContact CB-CE2 3.64Å; K484-Y486 WeakPolarHBondContact O-CD2 3.35Å; K484-Y486 VanDerWaalsContact O-CE2 3.27Å; K484-Y486 WeakPolarHBondContact O-CE2 3.23Å; Y486-L492 HydrophobicContact CD2-CB 4.25Å; Y486-L492 HydrophobicContact CD2-CD1 3.91Å; Y486-L492 HydrophobicContact CE2-CD1 4.36Å; Y486-L492 HydrophobicContact CG-CB 4.27Å; Y486-H495 HydrophobicContact CE1-CB 4.06Å; Y486-H495 HydrophobicContact CE2-CB 4.22Å; Y486-H495 AromaticContact CE2-CD2 3.22Å; Y486-H495 WeakPolarHBondContact CE2-CD2 3.23Å; Y486-H495 AromaticContact CE2-CG 3.81Å; Y486-H495 AromaticContact CE2-NE2 3.89Å; Y486-H495 AromaticContact CZ-CD2 3.38Å; Y486-H495 AromaticContact CZ-CG 3.47Å; Y486-H495 VanDerWaalsContact CZ-CG 3.47Å; Y486-H495 PolarHBondContact OH-CD2 3.24Å; Y486-H495 VanDerWaalsContact OH-CD2 3.23Å; Y486-H495 PolarHBondContact OH-ND1 3.46Å; Y486-H495 PolarHBondContact OH-NE2 2.91Å
487	K	83.1	Confident	76.7	Confident	106 Å²	106	77.8 Å²	77.8	46%	0.461	40%	0.402	S	S	.	.	S	Bend	trans	-72.9	-35.5	177.6	-63.6	-174.7	177.1	-167.9	0	112.3	E473 R475 F477	E473-K487 VanDerWaalsContact CD-NZ 3.29Å; E473-K487 VanDerWaalsContact OE1-CE 3.24Å; E473-K487 WeakPolarHBondContact OE1-CE 3.4Å; E473-K487 IonicContact OE1-NZ 2.84Å; E473-K487 PolarHBondContact OE1-NZ 3.48Å; E473-K487 WeakPolarHBondContact OE2-CE 3.39Å; E473-K487 IonicContact OE2-NZ 3.03Å; E473-K487 PolarHBondContact OE2-NZ 3.26Å; R475-K487 HydrophobicContact CG-CG 4.18Å; F477-K487 WeakPolarHBondContact CD2-O 3.29Å; F477-K487 WeakPolarHBondContact CE2-O 3.28Å
488	D	82.3	Confident	76.2	Confident	86 Å²	86	76.3 Å²	76.3	46%	0.46	40%	0.401	S	S	.	.	S	Bend	trans	-131.2	151.3	-170.9	-56.8	-78.3	0	0	0	112.4	A490 T491 L492	D488-A490 PolarHBondContact O-N 2.76Å; D488-T491 PolarHBondContact N-OG1 2.84Å; D488-T491 PolarHBondContact O-N 3.29Å; D488-T491 PolarHBondContact O-OG1 2.74Å; D488-T491 VanDerWaalsContact O-OG1 3.06Å; D488-L492 PolarHBondContact O-N 3.49Å; D488-L492 VanDerWaalsContact O-N 3.09Å
489	P	78.9	Confident	75.5	Confident	63 Å²	63	69.9 Å²	69.9	41%	0.409	37%	0.373	S	S	.	.	H	α-helix	trans	-62.8	-26.3	172.3	-18.9	31.4	0	0	0	112.8	F477 R493	F477-P489 HydrophobicContact CD1-CG 4.14Å; F477-P489 HydrophobicContact CD2-CG 4.21Å; F477-P489 HydrophobicContact CE1-CG 3.78Å; F477-P489 HydrophobicContact CE2-CG 3.84Å; F477-P489 HydrophobicContact CG-CG 4.36Å; F477-P489 HydrophobicContact CZ-CG 3.62Å; P489-R493 WeakPolarHBondContact O-CB 3.45Å; P489-R493 WeakPolarHBondContact O-CD 3.49Å; P489-R493 WeakPolarHBondContact O-CG 3.37Å; P489-R493 PolarHBondContact O-N 2.97Å
490	A	80.7	Confident	74.7	Confident	71 Å²	71	77.1 Å²	77.1	59%	0.587	40%	0.4	S	S	*	.	H	α-helix	trans	-72.5	-40.8	179.4	0	0	0	0	0	112.1	D488 Q494	D488-A490 PolarHBondContact O-N 2.76Å; A490-Q494 PolarHBondContact O-N 2.92Å; A490-Q494 VanDerWaalsContact O-N 3.09Å
491	T	80	Confident	74.5	Confident	64 Å²	64	77.5 Å²	77.5	39%	0.393	40%	0.398	S	S	.	.	H	α-helix	trans	-72.8	-37.3	176.3	48.5	0	0	0	0	111.1	D488 Q494 H495	D488-T491 PolarHBondContact N-OG1 2.84Å; D488-T491 PolarHBondContact O-N 3.29Å; D488-T491 PolarHBondContact O-OG1 2.74Å; D488-T491 VanDerWaalsContact O-OG1 3.06Å; T491-Q494 PolarHBondContact O-N 2.95Å; T491-H495 WeakPolarHBondContact O-CB 3.47Å; T491-H495 PolarHBondContact O-N 2.86Å
492	L	80.5	Confident	74.5	Confident	18 Å²	18	80.1 Å²	80.1	9%	0.094	41%	0.413	C	S	.	.	H	α-helix	trans	-57.1	-54.2	168.1	173.7	58.8	0	0	0	111.6	F477 C479 Y486 D488 Q494 H495 E496	F477-L492 HydrophobicContact CB-CB 4.18Å; F477-L492 HydrophobicContact CB-CD2 3.83Å; C479-L492 HydrophobicContact CB-CD1 3.62Å; Y486-L492 HydrophobicContact CD2-CB 4.25Å; Y486-L492 HydrophobicContact CD2-CD1 3.91Å; Y486-L492 HydrophobicContact CE2-CD1 4.36Å; Y486-L492 HydrophobicContact CG-CB 4.27Å; D488-L492 PolarHBondContact O-N 3.49Å; D488-L492 VanDerWaalsContact O-N 3.09Å; L492-Q494 VanDerWaalsContact C-N 3.3Å; L492-Q494 PolarHBondContact O-N 2.84Å; L492-H495 CarbonylContact O-C 3.57Å; L492-H495 WeakPolarHBondContact O-CA 3.35Å; L492-H495 WeakPolarHBondContact O-CB 3.36Å; L492-H495 PolarHBondContact O-N 3.22Å; L492-E496 HydrophobicContact CD1-CG 3.79Å; L492-E496 HydrophobicContact CG-CG 4.18Å; L492-E496 WeakPolarHBondContact O-CG 3.19Å; L492-E496 PolarHBondContact O-N 3.3Å
493	R	77.6	Confident	74.5	Confident	180 Å²	180	82.8 Å²	82.8	68%	0.679	42%	0.417	S	S	*	.	H	α-helix	trans	-60.4	-35.6	-178.3	-76.3	170.4	-178.7	-85.2	3.3	113.7	P489 E496 K497	P489-R493 WeakPolarHBondContact O-CB 3.45Å; P489-R493 WeakPolarHBondContact O-CD 3.49Å; P489-R493 WeakPolarHBondContact O-CG 3.37Å; P489-R493 PolarHBondContact O-N 2.97Å; R493-E496 WeakPolarHBondContact CA-OE2 3.43Å; R493-K497 WeakPolarHBondContact O-CB 3.47Å; R493-K497 PolarHBondContact O-N 3.22Å
494	Q	76.3	Confident	74.5	Confident	124 Å²	124	81.4 Å²	81.4	58%	0.579	41%	0.405	S	S	*	.	H	α-helix	trans	-71.6	-32.1	175.4	178.6	57.6	20.9	0	0	112.1	A490 T491 L492 S498	A490-Q494 PolarHBondContact O-N 2.92Å; A490-Q494 VanDerWaalsContact O-N 3.09Å; T491-Q494 PolarHBondContact O-N 2.95Å; L492-Q494 VanDerWaalsContact C-N 3.3Å; L492-Q494 PolarHBondContact O-N 2.84Å; Q494-S498 PolarHBondContact O-N 3.15Å
495	H	78.2	Confident	74.7	Confident	28 Å²	28	78.2 Å²	78.2	13%	0.13	39%	0.391	C	S	.	.	H	α-helix	trans	-72.2	-44.8	171.8	163.9	56.2	0	0	0	112.5	C482 Y486 T491 L492 K497 S498 H499	C482-H495 VanDerWaalsContact SG-CE1 3.54Å; C482-H495 PolarHBondContact SG-NE2 3.5Å; Y486-H495 HydrophobicContact CE1-CB 4.06Å; Y486-H495 HydrophobicContact CE2-CB 4.22Å; Y486-H495 AromaticContact CE2-CD2 3.22Å; Y486-H495 WeakPolarHBondContact CE2-CD2 3.23Å; Y486-H495 AromaticContact CE2-CG 3.81Å; Y486-H495 AromaticContact CE2-NE2 3.89Å; Y486-H495 AromaticContact CZ-CD2 3.38Å; Y486-H495 AromaticContact CZ-CG 3.47Å; Y486-H495 VanDerWaalsContact CZ-CG 3.47Å; Y486-H495 PolarHBondContact OH-CD2 3.24Å; Y486-H495 VanDerWaalsContact OH-CD2 3.23Å; Y486-H495 PolarHBondContact OH-ND1 3.46Å; Y486-H495 PolarHBondContact OH-NE2 2.91Å; T491-H495 WeakPolarHBondContact O-CB 3.47Å; T491-H495 PolarHBondContact O-N 2.86Å; L492-H495 CarbonylContact O-C 3.57Å; L492-H495 WeakPolarHBondContact O-CA 3.35Å; L492-H495 WeakPolarHBondContact O-CB 3.36Å; L492-H495 PolarHBondContact O-N 3.22Å; H495-K497 PolarHBondContact O-N 3.1Å; H495-S498 WeakPolarHBondContact O-CA 3.41Å; H495-S498 WeakPolarHBondContact O-CB 3.4Å; H495-S498 PolarHBondContact O-N 2.88Å; H495-S498 PolarHBondContact O-OG 2.73Å; H495-H499 AromaticContact CE1-CE1 3.44Å; H495-H499 PolarHBondContact CE1-CE1 3.4Å; H495-H499 VanDerWaalsContact CE1-CE1 3.44Å; H495-H499 AromaticContact CE1-NE2 3.39Å; H495-H499 PolarHBondContact CE1-NE2 3.12Å; H495-H499 AromaticContact NE2-CE1 3.81Å; H495-H499 AromaticContact NE2-NE2 3.3Å; H495-H499 PolarHBondContact NE2-NE2 3.12Å; H495-H499 PolarHBondContact O-N 3.38Å
496	E	73.3	Confident	74.4	Confident	40 Å²	40	78.3 Å²	78.3	19%	0.187	39%	0.391	C	S	.	.	H	α-helix	trans	-54.7	-42.4	171.2	-69.2	170.4	157.7	0	0	110.3	L492 R493 S498 H499 W500	L492-E496 HydrophobicContact CD1-CG 3.79Å; L492-E496 HydrophobicContact CG-CG 4.18Å; L492-E496 WeakPolarHBondContact O-CG 3.19Å; L492-E496 PolarHBondContact O-N 3.3Å; R493-E496 WeakPolarHBondContact CA-OE2 3.43Å; E496-S498 PolarHBondContact O-N 3.14Å; E496-H499 WeakPolarHBondContact O-CB 3.41Å; E496-H499 PolarHBondContact O-N 3.47Å; E496-W500 VanDerWaalsContact C-CZ3 3.46Å; E496-W500 HydrophobicContact CB-CH2 4.02Å; E496-W500 HydrophobicContact CB-CZ3 3.76Å; E496-W500 VanDerWaalsContact O-CZ3 3.29Å; E496-W500 WeakPolarHBondContact O-CZ3 3.43Å
497	K	70.2	Confident	74.2	Confident	114 Å²	114	76.1 Å²	76.1	50%	0.496	38%	0.382	S	S	.	.	H	α-helix	trans	-59.1	-31.3	173.6	-166.1	177.2	179.8	-176	0	113.5	R493 H495 H499 L501	R493-K497 WeakPolarHBondContact O-CB 3.47Å; R493-K497 PolarHBondContact O-N 3.22Å; H495-K497 PolarHBondContact O-N 3.1Å; K497-H499 VanDerWaalsContact C-N 3.34Å; K497-L501 HydrophobicContact CG-CD1 4.05Å; K497-L501 WeakPolarHBondContact O-CD1 3.34Å; K497-L501 VanDerWaalsContact O-CG 3.29Å; K497-L501 WeakPolarHBondContact O-CG 3.28Å; K497-L501 PolarHBondContact O-N 3.27Å
498	S	67.2	Low	73.8	Confident	44 Å²	44	78 Å²	78	31%	0.308	40%	0.398	S	S	.	.	H	α-helix	trans	-69.2	-32	174.8	88.8	0	0	0	0	112.1	Q494 H495 E496 W500 L501 T502	Q494-S498 PolarHBondContact O-N 3.15Å; H495-S498 WeakPolarHBondContact O-CA 3.41Å; H495-S498 WeakPolarHBondContact O-CB 3.4Å; H495-S498 PolarHBondContact O-N 2.88Å; H495-S498 PolarHBondContact O-OG 2.73Å; E496-S498 PolarHBondContact O-N 3.14Å; S498-W500 PolarHBondContact O-N 3.1Å; S498-L501 PolarHBondContact O-N 3.18Å; S498-L501 VanDerWaalsContact O-N 3.16Å; S498-T502 PolarHBondContact O-N 2.91Å; S498-T502 PolarHBondContact O-OG1 3.44Å
499	H	65	Low	73.3	Confident	14 Å²	14	78.3 Å²	78.3	7%	0.065	40%	0.398	C	S	.	.	H	α-helix	trans	-58.4	-49.4	175	-67.6	-42.9	0	0	0	112.6	C479 V481 C482 H495 E496 K497 L501 R503 M513	C479-H499 PolarHBondContact SG-NE2 2.98Å; C479-H499 VanDerWaalsContact SG-NE2 3.44Å; V481-H499 HydrophobicContact CG1-CB 4.43Å; V481-H499 WeakPolarHBondContact CG1-CD2 3.19Å; V481-H499 WeakPolarHBondContact CG1-NE2 3.3Å; C482-H499 VanDerWaalsContact SG-CE1 3.52Å; C482-H499 PolarHBondContact SG-NE2 2.98Å; C482-H499 VanDerWaalsContact SG-NE2 3.37Å; H495-H499 AromaticContact CE1-CE1 3.44Å; H495-H499 PolarHBondContact CE1-CE1 3.4Å; H495-H499 VanDerWaalsContact CE1-CE1 3.44Å; H495-H499 AromaticContact CE1-NE2 3.39Å; H495-H499 PolarHBondContact CE1-NE2 3.12Å; H495-H499 AromaticContact NE2-CE1 3.81Å; H495-H499 AromaticContact NE2-NE2 3.3Å; H495-H499 PolarHBondContact NE2-NE2 3.12Å; H495-H499 PolarHBondContact O-N 3.38Å; E496-H499 WeakPolarHBondContact O-CB 3.41Å; E496-H499 PolarHBondContact O-N 3.47Å; K497-H499 VanDerWaalsContact C-N 3.34Å; H499-L501 VanDerWaalsContact C-N 3.26Å; H499-L501 PolarHBondContact O-N 3.43Å; H499-R503 CarbonylContact O-C 3.55Å; H499-R503 VanDerWaalsContact O-CA 3.24Å; H499-R503 WeakPolarHBondContact O-CA 3.44Å; H499-R503 WeakPolarHBondContact O-CB 3.2Å; H499-R503 PolarHBondContact O-N 3.43Å; H499-M513 HydrophobicContact CB-CE 3.83Å; H499-M513 HydrophobicContact CB-CG 4.26Å; H499-M513 WeakPolarHBondContact O-CE 3.39Å
500	W	61.5	Low	73.1	Confident	152 Å²	152	77.7 Å²	77.7	58%	0.576	40%	0.395	S	S	*	.	H	α-helix	trans	-71.4	-19.7	177.9	-60.4	-71.4	0	0	0	113.9	E496 S498 M513	E496-W500 VanDerWaalsContact C-CZ3 3.46Å; E496-W500 HydrophobicContact CB-CH2 4.02Å; E496-W500 HydrophobicContact CB-CZ3 3.76Å; E496-W500 VanDerWaalsContact O-CZ3 3.29Å; E496-W500 WeakPolarHBondContact O-CZ3 3.43Å; S498-W500 PolarHBondContact O-N 3.1Å; W500-M513 HydrophobicContact CB-CE 4.45Å; W500-M513 HydrophobicContact CG-CE 3.9Å
501	L	62.2	Low	72.5	Confident	127 Å²	127	75.6 Å²	75.6	67%	0.665	38%	0.38	S	S	*	.	H	α-helix	trans	-86.5	-31.6	178.3	-71.3	172.3	0	0	0	113.7	K497 S498 H499	K497-L501 HydrophobicContact CG-CD1 4.05Å; K497-L501 WeakPolarHBondContact O-CD1 3.34Å; K497-L501 VanDerWaalsContact O-CG 3.29Å; K497-L501 WeakPolarHBondContact O-CG 3.28Å; K497-L501 PolarHBondContact O-N 3.27Å; S498-L501 PolarHBondContact O-N 3.18Å; S498-L501 VanDerWaalsContact O-N 3.16Å; H499-L501 VanDerWaalsContact C-N 3.26Å; H499-L501 PolarHBondContact O-N 3.43Å
502	T	64.2	Low	72.1	Confident	85 Å²	85	76.2 Å²	76.2	52%	0.521	38%	0.377	S	S	.	.	H	α-helix	trans	-111	-25	-178.3	66	0	0	0	0	113.8	S498	S498-T502 PolarHBondContact O-N 2.91Å; S498-T502 PolarHBondContact O-OG1 3.44Å
503	R	70.9	Confident	72	Confident	107 Å²	107	75.6 Å²	75.6	40%	0.404	37%	0.374	S	S	.	.			trans	-131.5	59.7	-174	-65.3	171.7	75.1	130.2	-1.4	110.9	H499 F505 M513 F514 T515	H499-R503 CarbonylContact O-C 3.55Å; H499-R503 VanDerWaalsContact O-CA 3.24Å; H499-R503 WeakPolarHBondContact O-CA 3.44Å; H499-R503 WeakPolarHBondContact O-CB 3.2Å; H499-R503 PolarHBondContact O-N 3.43Å; R503-F505 PolarHBondContact O-N 3.5Å; R503-M513 HydrophobicContact CB-CB 3.83Å; R503-M513 VanDerWaalsContact CZ-O 3.23Å; R503-M513 PolarHBondContact NE-O 3.42Å; R503-M513 PolarHBondContact NH2-O 3.36Å; R503-M513 WeakPolarHBondContact O-CE 3.47Å; R503-F514 CarbonylContact C-O 3.54Å; R503-F514 WeakPolarHBondContact CA-O 3.34Å; R503-T515 HydrophobicContact CG-CG2 3.87Å
504	P	72.9	Confident	72	Confident	66 Å²	66	68.6 Å²	68.6	43%	0.429	35%	0.349	S	S	.	.			trans	-68.8	-2.1	-164.8	29.4	-37.3	0	0	0	116	P506	P504-P506 VanDerWaalsContact O-CD 3.24Å; P504-P506 WeakPolarHBondContact O-CD 3.35Å
505	F	78.2	Confident	72	Confident	56 Å²	56	66.5 Å²	66.5	25%	0.246	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	96	-178.8	-56.1	-74.8	0	0	0	111.4	R503 F514 T515 R517 M520	R503-F505 PolarHBondContact O-N 3.5Å; F505-F514 HydrophobicContact CB-CB 4.3Å; F505-F514 PolarHBondContact N-O 3.12Å; F505-F514 VanDerWaalsContact N-O 3.11Å; F505-F514 PolarHBondContact O-N 3.03Å; F505-T515 WeakPolarHBondContact CE2-O 3.14Å; F505-R517 HydrophobicContact CD1-CB 4.01Å; F505-R517 HydrophobicContact CD1-CG 4.45Å; F505-R517 VanDerWaalsContact CD2-N 3.3Å; F505-R517 HydrophobicContact CE1-CB 3.85Å; F505-R517 HydrophobicContact CE1-CG 4.47Å; F505-R517 HydrophobicContact CE2-CB 4.37Å; F505-R517 VanDerWaalsContact CE2-N 3.35Å; F505-R517 HydrophobicContact CG-CB 4.35Å; F505-R517 HydrophobicContact CZ-CB 4.03Å; F505-M520 HydrophobicContact CB-CB 3.97Å; F505-M520 HydrophobicContact CB-CE 4.48Å; F505-M520 HydrophobicContact CB-CG 4.25Å
506	P	76.1	Confident	71.9	Confident	52 Å²	52	70.9 Å²	70.9	34%	0.338	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	146.6	172.8	25.2	-32.5	0	0	0	112.6	P504 M513	P504-P506 VanDerWaalsContact O-CD 3.24Å; P504-P506 WeakPolarHBondContact O-CD 3.35Å; P506-M513 WeakPolarHBondContact CA-SD 3.13Å; P506-M513 HydrophobicContact CB-SD 3.51Å; P506-M513 VanDerWaalsContact CB-SD 3.51Å; P506-M513 HydrophobicContact CG-SD 4.19Å
507	C	78.9	Confident	71.9	Confident	1 Å²	1	77.1 Å²	77.1	1%	0.007	39%	0.387	C	S	.	.			trans	-82.4	121.5	152.7	177.2	0	0	0	0	109.5	I509 C510 G511 K512 F514 H523 M524	C507-I509 PolarHBondContact O-N 2.87Å; C507-I509 PolarHBondContact SG-N 3.41Å; C507-C510 VanDerWaalsContact SG-SG 3.63Å; C507-G511 VanDerWaalsContact O-CA 3.27Å; C507-G511 WeakPolarHBondContact O-CA 3.25Å; C507-G511 PolarHBondContact O-N 3.36Å; C507-K512 VanDerWaalsContact CB-O 3.3Å; C507-K512 WeakPolarHBondContact CB-O 3.33Å; C507-K512 PolarHBondContact N-O 2.97Å; C507-F514 HydrophobicContact CB-CE2 4.21Å; C507-H523 PolarHBondContact SG-NE2 3.35Å; C507-M524 HydrophobicContact CB-SD 4.43Å
508	N	74.4	Confident	72.1	Confident	146 Å²	146	73.3 Å²	73.3	78%	0.781	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-12.5	-179.1	-66.1	-10	0	0	0	113.7
509	I	72.2	Confident	72.6	Confident	92 Å²	92	72.4 Å²	72.4	47%	0.472	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-43.8	-176.2	-60.8	175.2	0	0	0	111.7	C507 M524 H527	C507-I509 PolarHBondContact O-N 2.87Å; C507-I509 PolarHBondContact SG-N 3.41Å; I509-M524 HydrophobicContact CD1-CE 3.56Å; I509-M524 HydrophobicContact CD1-SD 4.45Å; I509-M524 HydrophobicContact CG1-CE 4.08Å; I509-H527 HydrophobicContact CD1-CB 3.61Å; I509-H527 HydrophobicContact CG2-CB 4.45Å
510	C	74.8	Confident	73.5	Confident	50 Å²	50	73.5 Å²	73.5	34%	0.338	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	6.4	-177.7	68.9	0	0	0	0	115	C507 K512 H523 H527	C507-C510 VanDerWaalsContact SG-SG 3.63Å; C510-K512 PolarHBondContact O-N 3.06Å; C510-K512 VanDerWaalsContact SG-CG 3.51Å; C510-H523 PolarHBondContact SG-NE2 3.25Å; C510-H527 PolarHBondContact SG-NE2 2.95Å
511	G	68.7	Low	74.2	Confident	27 Å²	27	67.4 Å²	67.4	28%	0.278	36%	0.358	S	S	.	.			trans	70.4	-10.4	179.5	0	0	0	0	0	115.8	C507 M513	C507-G511 VanDerWaalsContact O-CA 3.27Å; C507-G511 WeakPolarHBondContact O-CA 3.25Å; C507-G511 PolarHBondContact O-N 3.36Å; G511-M513 PolarHBondContact O-N 3.4Å
512	K	71.8	Confident	75	Confident	77 Å²	77	66 Å²	66	34%	0.335	34%	0.344	S	S	.	.			trans	-52.4	121.8	176.6	-70.4	178	-176	176.8	0	109	E365 C507 C510 F514	E365-K512 IonicContact OE1-NZ 3.1Å; E365-K512 PolarHBondContact OE1-NZ 3.3Å; E365-K512 VanDerWaalsContact OE1-NZ 3.1Å; E365-K512 IonicContact OE2-NZ 3.18Å; E365-K512 PolarHBondContact OE2-NZ 2.85Å; C507-K512 VanDerWaalsContact CB-O 3.3Å; C507-K512 WeakPolarHBondContact CB-O 3.33Å; C507-K512 PolarHBondContact N-O 2.97Å; C510-K512 PolarHBondContact O-N 3.06Å; C510-K512 VanDerWaalsContact SG-CG 3.51Å; K512-F514 HydrophobicContact CB-CE2 3.89Å; K512-F514 HydrophobicContact CB-CZ 4.12Å; K512-F514 WeakPolarHBondContact O-CD2 3.48Å; K512-F514 WeakPolarHBondContact O-CE2 3.46Å
513	M	77.3	Confident	75.8	Confident	5 Å²	5	63.3 Å²	63.3	3%	0.025	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	147	-177.8	-74.6	-80.7	-90.2	0	0	111.6	V481 H499 W500 R503 P506 G511	V481-M513 HydrophobicContact CG1-CB 3.94Å; V481-M513 HydrophobicContact CG1-CG 3.39Å; V481-M513 HydrophobicContact CG2-CG 4.46Å; H499-M513 HydrophobicContact CB-CE 3.83Å; H499-M513 HydrophobicContact CB-CG 4.26Å; H499-M513 WeakPolarHBondContact O-CE 3.39Å; W500-M513 HydrophobicContact CB-CE 4.45Å; W500-M513 HydrophobicContact CG-CE 3.9Å; R503-M513 HydrophobicContact CB-CB 3.83Å; R503-M513 VanDerWaalsContact CZ-O 3.23Å; R503-M513 PolarHBondContact NE-O 3.42Å; R503-M513 PolarHBondContact NH2-O 3.36Å; R503-M513 WeakPolarHBondContact O-CE 3.47Å; P506-M513 WeakPolarHBondContact CA-SD 3.13Å; P506-M513 HydrophobicContact CB-SD 3.51Å; P506-M513 VanDerWaalsContact CB-SD 3.51Å; P506-M513 HydrophobicContact CG-SD 4.19Å; G511-M513 PolarHBondContact O-N 3.4Å
514	F	77.3	Confident	76.1	Confident	33 Å²	33	59.5 Å²	59.5	15%	0.145	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.4	-175	-64.8	-91.5	0	0	0	113.5	R503 F505 C507 K512 Q516 M520 H523	R503-F514 CarbonylContact C-O 3.54Å; R503-F514 WeakPolarHBondContact CA-O 3.34Å; F505-F514 HydrophobicContact CB-CB 4.3Å; F505-F514 PolarHBondContact N-O 3.12Å; F505-F514 VanDerWaalsContact N-O 3.11Å; F505-F514 PolarHBondContact O-N 3.03Å; C507-F514 HydrophobicContact CB-CE2 4.21Å; K512-F514 HydrophobicContact CB-CE2 3.89Å; K512-F514 HydrophobicContact CB-CZ 4.12Å; K512-F514 WeakPolarHBondContact O-CD2 3.48Å; K512-F514 WeakPolarHBondContact O-CE2 3.46Å; F514-Q516 VanDerWaalsContact C-N 3.35Å; F514-M520 HydrophobicContact CB-CB 3.91Å; F514-M520 HydrophobicContact CD2-CB 3.81Å; F514-M520 HydrophobicContact CD2-CG 3.96Å; F514-M520 HydrophobicContact CG-CB 3.91Å; F514-H523 HydrophobicContact CE1-CB 4Å; F514-H523 HydrophobicContact CE2-CB 4.18Å; F514-H523 AromaticContact CE2-CD2 3.22Å; F514-H523 WeakPolarHBondContact CE2-CD2 3.24Å; F514-H523 AromaticContact CE2-CG 3.88Å; F514-H523 AromaticContact CE2-NE2 3.96Å; F514-H523 HydrophobicContact CZ-CB 3.6Å; F514-H523 AromaticContact CZ-CD2 3.23Å; F514-H523 WeakPolarHBondContact CZ-CD2 3.29Å; F514-H523 AromaticContact CZ-CG 3.41Å; F514-H523 VanDerWaalsContact CZ-CG 3.41Å; F514-H523 AromaticContact CZ-NE2 3.97Å
515	T	76.4	Confident	76.5	Confident	81 Å²	81	58.1 Å²	58.1	50%	0.497	30%	0.298	S	S	.	.	S	Bend	trans	-65.7	-33.3	175.9	49.6	0	0	0	0	113	R503 F505	R503-T515 HydrophobicContact CG-CG2 3.87Å; F505-T515 WeakPolarHBondContact CE2-O 3.14Å
516	Q	76.3	Confident	76.5	Confident	120 Å²	120	59 Å²	59	56%	0.561	31%	0.312	S	S	*	.	S	Bend	trans	-130.3	147.9	-173.2	-60	176.5	6.2	0	0	111.5	F514 G518 T519 M520	F514-Q516 VanDerWaalsContact C-N 3.35Å; Q516-G518 PolarHBondContact O-N 3.07Å; Q516-T519 HydrophobicContact CB-CG2 4.33Å; Q516-T519 PolarHBondContact O-N 3.37Å; Q516-T519 PolarHBondContact O-OG1 3.38Å; Q516-M520 PolarHBondContact O-N 2.94Å
517	R	72.6	Confident	76.4	Confident	171 Å²	171	60.1 Å²	60.1	65%	0.645	31%	0.312	S	S	*	.	H	α-helix	trans	-62.2	-42.7	176.2	-174.5	179.3	-71	-173.7	-3.1	111.6	F505 T519 M520 T521	F505-R517 HydrophobicContact CD1-CB 4.01Å; F505-R517 HydrophobicContact CD1-CG 4.45Å; F505-R517 VanDerWaalsContact CD2-N 3.3Å; F505-R517 HydrophobicContact CE1-CB 3.85Å; F505-R517 HydrophobicContact CE1-CG 4.47Å; F505-R517 HydrophobicContact CE2-CB 4.37Å; F505-R517 VanDerWaalsContact CE2-N 3.35Å; F505-R517 HydrophobicContact CG-CB 4.35Å; F505-R517 HydrophobicContact CZ-CB 4.03Å; R517-T519 VanDerWaalsContact C-N 3.32Å; R517-T519 PolarHBondContact O-N 2.93Å; R517-M520 HydrophobicContact CG-CE 4.49Å; R517-M520 WeakPolarHBondContact O-CB 3.41Å; R517-M520 PolarHBondContact O-N 3.47Å; R517-T521 PolarHBondContact O-N 3.28Å; R517-T521 PolarHBondContact O-OG1 3.33Å
518	G	74.8	Confident	76.3	Confident	33 Å²	33	62 Å²	62	34%	0.34	32%	0.322	S	S	.	.	H	α-helix	trans	-60.8	-37.6	-179.6	0	0	0	0	0	113.4	Q516 R522	Q516-G518 PolarHBondContact O-N 3.07Å; G518-R522 WeakPolarHBondContact O-CB 3.45Å; G518-R522 PolarHBondContact O-N 2.78Å
519	T	78.3	Confident	76.3	Confident	26 Å²	26	57.3 Å²	57.3	16%	0.16	31%	0.308	C	S	.	.	H	α-helix	trans	-72.9	-35.5	177.2	59.2	0	0	0	0	112.2	Q516 R517 H523	Q516-T519 HydrophobicContact CB-CG2 4.33Å; Q516-T519 PolarHBondContact O-N 3.37Å; Q516-T519 PolarHBondContact O-OG1 3.38Å; R517-T519 VanDerWaalsContact C-N 3.32Å; R517-T519 PolarHBondContact O-N 2.93Å; T519-H523 WeakPolarHBondContact O-CB 3.27Å; T519-H523 PolarHBondContact O-N 3.38Å
520	M	84	Confident	76.5	Confident	36 Å²	36	54 Å²	54	18%	0.177	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-51.7	169.5	-176.3	-85.9	-75.5	0	0	112	F505 F514 Q516 R517 R522 H523 M524	F505-M520 HydrophobicContact CB-CB 3.97Å; F505-M520 HydrophobicContact CB-CE 4.48Å; F505-M520 HydrophobicContact CB-CG 4.25Å; F514-M520 HydrophobicContact CB-CB 3.91Å; F514-M520 HydrophobicContact CD2-CB 3.81Å; F514-M520 HydrophobicContact CD2-CG 3.96Å; F514-M520 HydrophobicContact CG-CB 3.91Å; Q516-M520 PolarHBondContact O-N 2.94Å; R517-M520 HydrophobicContact CG-CE 4.49Å; R517-M520 WeakPolarHBondContact O-CB 3.41Å; R517-M520 PolarHBondContact O-N 3.47Å; M520-R522 VanDerWaalsContact C-N 3.28Å; M520-R522 PolarHBondContact O-N 3.29Å; M520-H523 CarbonylContact O-C 3.53Å; M520-H523 WeakPolarHBondContact O-CA 3.34Å; M520-H523 WeakPolarHBondContact O-CB 3.29Å; M520-H523 PolarHBondContact O-N 2.93Å; M520-M524 PolarHBondContact O-N 3.21Å; M520-M524 HydrophobicContact SD-CG 3.73Å
521	T	76.9	Confident	76.9	Confident	24 Å²	24	57.2 Å²	57.2	15%	0.147	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-37.3	178	-58.2	0	0	0	0	111.7	R517 H523 M524 R525	R517-T521 PolarHBondContact O-N 3.28Å; R517-T521 PolarHBondContact O-OG1 3.33Å; T521-H523 VanDerWaalsContact C-N 3.33Å; T521-H523 PolarHBondContact O-N 2.82Å; T521-M524 PolarHBondContact O-N 3.25Å; T521-R525 PolarHBondContact O-N 3.02Å
522	R	78.2	Confident	77.3	Confident	99 Å²	99	57.1 Å²	57.1	37%	0.374	29%	0.294	S	S	.	.	H	α-helix	trans	-65.6	-33	172.9	-176.8	172.8	70.8	-163.1	6.5	112.7	G518 M520 R525	G518-R522 WeakPolarHBondContact O-CB 3.45Å; G518-R522 PolarHBondContact O-N 2.78Å; M520-R522 VanDerWaalsContact C-N 3.28Å; M520-R522 PolarHBondContact O-N 3.29Å; R522-R525 WeakPolarHBondContact O-CB 3.49Å
523	H	81.9	Confident	77.8	Confident	28 Å²	28	55.8 Å²	55.8	13%	0.13	29%	0.289	C	S	.	.	H	α-helix	trans	-75.9	-36.9	174	161.9	57.1	0	0	0	112.6	C507 C510 F514 T519 M520 T521 R525 S526 H527	C507-H523 PolarHBondContact SG-NE2 3.35Å; C510-H523 PolarHBondContact SG-NE2 3.25Å; F514-H523 HydrophobicContact CE1-CB 4Å; F514-H523 HydrophobicContact CE2-CB 4.18Å; F514-H523 AromaticContact CE2-CD2 3.22Å; F514-H523 WeakPolarHBondContact CE2-CD2 3.24Å; F514-H523 AromaticContact CE2-CG 3.88Å; F514-H523 AromaticContact CE2-NE2 3.96Å; F514-H523 HydrophobicContact CZ-CB 3.6Å; F514-H523 AromaticContact CZ-CD2 3.23Å; F514-H523 WeakPolarHBondContact CZ-CD2 3.29Å; F514-H523 AromaticContact CZ-CG 3.41Å; F514-H523 VanDerWaalsContact CZ-CG 3.41Å; F514-H523 AromaticContact CZ-NE2 3.97Å; T519-H523 WeakPolarHBondContact O-CB 3.27Å; T519-H523 PolarHBondContact O-N 3.38Å; M520-H523 CarbonylContact O-C 3.53Å; M520-H523 WeakPolarHBondContact O-CA 3.34Å; M520-H523 WeakPolarHBondContact O-CB 3.29Å; M520-H523 PolarHBondContact O-N 2.93Å; T521-H523 VanDerWaalsContact C-N 3.33Å; T521-H523 PolarHBondContact O-N 2.82Å; H523-R525 PolarHBondContact O-N 2.86Å; H523-S526 PolarHBondContact ND1-OG 3.14Å; H523-S526 PolarHBondContact O-N 3.2Å; H523-S526 PolarHBondContact O-OG 2.85Å; H523-H527 AromaticContact CE1-CD2 3.66Å; H523-H527 AromaticContact CE1-NE2 3.22Å; H523-H527 PolarHBondContact CE1-NE2 3.33Å; H523-H527 AromaticContact NE2-CD2 3.75Å; H523-H527 AromaticContact NE2-NE2 3.35Å; H523-H527 PolarHBondContact NE2-NE2 3.21Å
524	M	76	Confident	78.3	Confident	26 Å²	26	57.5 Å²	57.5	13%	0.128	30%	0.304	C	S	.	.	H	α-helix	trans	-55.3	-28.8	173.6	-69.5	-62.4	-62.8	0	0	112.5	C507 I509 M520 T521 S526 H527 L528	C507-M524 HydrophobicContact CB-SD 4.43Å; I509-M524 HydrophobicContact CD1-CE 3.56Å; I509-M524 HydrophobicContact CD1-SD 4.45Å; I509-M524 HydrophobicContact CG1-CE 4.08Å; M520-M524 PolarHBondContact O-N 3.21Å; M520-M524 HydrophobicContact SD-CG 3.73Å; T521-M524 PolarHBondContact O-N 3.25Å; M524-S526 VanDerWaalsContact C-N 3.26Å; M524-S526 PolarHBondContact O-N 3.47Å; M524-H527 PolarHBondContact O-N 2.87Å; M524-L528 PolarHBondContact O-N 3.12Å
525	R	81.8	Confident	78.8	Confident	37 Å²	37	56 Å²	56	14%	0.14	30%	0.297	C	S	.	.	H	α-helix	trans	-59.7	-29.7	172.7	-61.6	179.5	-175.1	-179.3	-2	113.6	T521 R522 H523 G529 L530	T521-R525 PolarHBondContact O-N 3.02Å; R522-R525 WeakPolarHBondContact O-CB 3.49Å; H523-R525 PolarHBondContact O-N 2.86Å; R525-G529 CarbonylContact O-C 3.53Å; R525-G529 PolarHBondContact O-N 3.41Å; R525-L530 HydrophobicContact CB-CB 4.08Å; R525-L530 HydrophobicContact CG-CB 4.28Å; R525-L530 PolarHBondContact O-N 2.89Å
526	S	77.7	Confident	79.4	Confident	76 Å²	76	61.4 Å²	61.4	53%	0.531	32%	0.317	S	S	.	.	H	α-helix	trans	-73.9	-35.3	176.9	67.1	0	0	0	0	112.4	H523 M524 L528 G529	H523-S526 PolarHBondContact ND1-OG 3.14Å; H523-S526 PolarHBondContact O-N 3.2Å; H523-S526 PolarHBondContact O-OG 2.85Å; M524-S526 VanDerWaalsContact C-N 3.26Å; M524-S526 PolarHBondContact O-N 3.47Å; S526-L528 VanDerWaalsContact C-N 3.34Å; S526-G529 PolarHBondContact O-N 3.29Å
527	H	75.1	Confident	79.7	Confident	74 Å²	74	61.7 Å²	61.7	34%	0.343	32%	0.318	S	S	.	.	H	α-helix	trans	-68.6	-32.4	174.5	-72.4	-61.5	0	0	0	113.1	I509 C510 H523 M524	I509-H527 HydrophobicContact CD1-CB 3.61Å; I509-H527 HydrophobicContact CG2-CB 4.45Å; C510-H527 PolarHBondContact SG-NE2 2.95Å; H523-H527 AromaticContact CE1-CD2 3.66Å; H523-H527 AromaticContact CE1-NE2 3.22Å; H523-H527 PolarHBondContact CE1-NE2 3.33Å; H523-H527 AromaticContact NE2-CD2 3.75Å; H523-H527 AromaticContact NE2-NE2 3.35Å; H523-H527 PolarHBondContact NE2-NE2 3.21Å; M524-H527 PolarHBondContact O-N 2.87Å
528	L	75.3	Confident	80.4	Confident	40 Å²	40	55.6 Å²	55.6	21%	0.209	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	4.2	-179.4	-60.8	172.2	0	0	0	113.4	N396 I416 M524 S526 L530	N396-L528 PolarHBondContact ND2-O 3.31Å; I416-L528 HydrophobicContact CD1-CD1 3.7Å; I416-L528 HydrophobicContact CG2-CD1 4.31Å; M524-L528 PolarHBondContact O-N 3.12Å; S526-L528 VanDerWaalsContact C-N 3.34Å; L528-L530 HydrophobicContact CB-CD1 3.86Å; L528-L530 HydrophobicContact CB-CG 3.67Å; L528-L530 HydrophobicContact CD1-CD1 3.9Å; L528-L530 PolarHBondContact O-N 3.01Å; L528-L530 VanDerWaalsContact O-N 3.1Å
529	G	75.8	Confident	80.9	Confident	48 Å²	48	56.4 Å²	56.4	50%	0.495	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	14	-175.4	0	0	0	0	0	114.9	R525 S526 K531	R525-G529 CarbonylContact O-C 3.53Å; R525-G529 PolarHBondContact O-N 3.41Å; S526-G529 PolarHBondContact O-N 3.29Å; G529-K531 PolarHBondContact O-N 3.3Å
530	L	76.6	Confident	81.2	Confident	24 Å²	24	57.9 Å²	57.9	13%	0.126	32%	0.315	C	S	.	.			trans	-73	99.7	-169.7	-66.3	177.8	0	0	0	111.4	N396 Y397 R525 L528 P532	N396-L530 HydrophobicContact CB-CD2 4.13Å; Y397-L530 HydrophobicContact CD1-CD1 4.16Å; Y397-L530 HydrophobicContact CD1-CD2 4.28Å; Y397-L530 HydrophobicContact CE1-CD1 3.86Å; Y397-L530 HydrophobicContact CE1-CD2 3.63Å; Y397-L530 HydrophobicContact CE1-CG 4.41Å; Y397-L530 HydrophobicContact CE2-CD2 4.17Å; R525-L530 HydrophobicContact CB-CB 4.08Å; R525-L530 HydrophobicContact CG-CB 4.28Å; R525-L530 PolarHBondContact O-N 2.89Å; L528-L530 HydrophobicContact CB-CD1 3.86Å; L528-L530 HydrophobicContact CB-CG 3.67Å; L528-L530 HydrophobicContact CD1-CD1 3.9Å; L528-L530 PolarHBondContact O-N 3.01Å; L528-L530 VanDerWaalsContact O-N 3.1Å; L530-P532 VanDerWaalsContact C-CD 3.41Å; L530-P532 WeakPolarHBondContact O-CD 3.44Å
531	K	81.5	Confident	81.2	Confident	116 Å²	116	61.8 Å²	61.8	50%	0.504	33%	0.328	S	S	.	.			trans	-105.1	76.8	174.2	-69.9	167.4	162.9	-171.6	0	109.8	G529 R541 F542 T543	G529-K531 PolarHBondContact O-N 3.3Å; K531-R541 HydrophobicContact CB-CB 3.55Å; K531-R541 HydrophobicContact CD-CB 4.3Å; K531-R541 VanDerWaalsContact CD-O 3.3Å; K531-R541 WeakPolarHBondContact CD-O 3.29Å; K531-R541 HydrophobicContact CG-CB 4.49Å; K531-R541 PolarHBondContact O-NE 2.94Å; K531-F542 CarbonylContact C-O 3.29Å; K531-F542 VanDerWaalsContact C-O 3.28Å; K531-F542 VanDerWaalsContact CA-O 3.31Å; K531-F542 WeakPolarHBondContact CA-O 3.48Å; K531-T543 HydrophobicContact CG-CG2 3.83Å
532	P	77.6	Confident	81.5	Confident	26 Å²	26	62.5 Å²	62.5	17%	0.169	33%	0.329	C	S	.	.			trans	-66.4	-41.5	-173	24.6	-33.4	0	0	0	112.9	L440 L530 A534 R541	L440-P532 HydrophobicContact CD1-CB 3.7Å; L440-P532 HydrophobicContact CD1-CG 4.41Å; L530-P532 VanDerWaalsContact C-CD 3.41Å; L530-P532 WeakPolarHBondContact O-CD 3.44Å; P532-A534 PolarHBondContact O-N 3.46Å; P532-R541 PolarHBondContact O-NH2 3.32Å
533	F	83.5	Confident	81.6	Confident	49 Å²	49	60 Å²	60	22%	0.215	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	116.1	-174.7	-51.1	-78.7	0	0	0	110.9	R541 F542 Q545 L548	F533-R541 CarbonylContact O-C 3.59Å; F533-R541 WeakPolarHBondContact O-CA 3.42Å; F533-F542 HydrophobicContact CB-CB 4.47Å; F533-F542 PolarHBondContact N-O 2.84Å; F533-F542 PolarHBondContact O-N 3.46Å; F533-Q545 HydrophobicContact CD1-CB 3.95Å; F533-Q545 HydrophobicContact CD1-CG 4.16Å; F533-Q545 HydrophobicContact CE1-CB 3.7Å; F533-Q545 HydrophobicContact CE1-CG 4.11Å; F533-Q545 HydrophobicContact CE2-CB 4.29Å; F533-Q545 VanDerWaalsContact CE2-N 3.29Å; F533-Q545 HydrophobicContact CG-CB 4.35Å; F533-Q545 HydrophobicContact CZ-CB 3.88Å; F533-L548 HydrophobicContact CB-CB 4.3Å; F533-L548 HydrophobicContact CB-CD2 4.03Å
534	A	86.2	Confident	81.6	Confident	41 Å²	41	63.1 Å²	63.1	34%	0.339	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	149.7	176.6	0	0	0	0	0	111.8	P532 M540 R541 L548	P532-A534 PolarHBondContact O-N 3.46Å; A534-M540 CarbonylContact C-O 3.57Å; A534-R541 HydrophobicContact CB-CG 4.12Å; A534-L548 VanDerWaalsContact O-CD2 3.22Å; A534-L548 WeakPolarHBondContact O-CD2 3.32Å
535	C	89.4	Confident	82	Confident	2 Å²	2	67 Å²	67	1%	0.014	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-85.9	126.2	165.6	176.4	0	0	0	0	109.8	E537 G539 M540 F542 L548 M552 H555	C535-E537 VanDerWaalsContact C-N 3.34Å; C535-E537 PolarHBondContact SG-N 3.43Å; C535-G539 WeakPolarHBondContact O-CA 3.26Å; C535-G539 PolarHBondContact O-N 3.03Å; C535-M540 PolarHBondContact N-O 3.42Å; C535-F542 HydrophobicContact CB-CE2 4.32Å; C535-L548 HydrophobicContact CB-CD1 3.68Å; C535-M552 HydrophobicContact CB-SD 4.35Å; C535-H555 PolarHBondContact SG-NE2 3.5Å
536	E	87.1	Confident	82.1	Confident	193 Å²	193	70.8 Å²	70.8	90%	0.902	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-30.6	178.7	-65.5	174.1	-160.8	0	0	112.7
537	E	84	Confident	82.5	Confident	127 Å²	127	71 Å²	71	59%	0.593	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-28.2	-175.8	-64.6	-173.1	-111.8	0	0	114.1	C535 M552 H555	C535-E537 VanDerWaalsContact C-N 3.34Å; C535-E537 PolarHBondContact SG-N 3.43Å; E537-M552 HydrophobicContact CG-CE 4.15Å; E537-M552 WeakPolarHBondContact OE1-CE 3.12Å; E537-H555 WeakPolarHBondContact OE1-CB 3.4Å; E537-H555 IonicContact OE1-CD2 3.93Å; E537-H555 IonicContact OE1-CG 3.72Å; E537-H555 WeakPolarHBondContact OE2-CB 3.3Å; E537-H555 IonicContact OE2-CG 3.78Å
538	C	87.8	Confident	83.2	Confident	43 Å²	43	68.9 Å²	68.9	29%	0.291	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	0.5	-176.9	71.5	0	0	0	0	115.6	M540 H551 H555	C538-M540 PolarHBondContact O-N 3.04Å; C538-M540 VanDerWaalsContact O-N 3.12Å; C538-H551 PolarHBondContact SG-NE2 3.37Å; C538-H555 WeakPolarHBondContact CB-CE1 3.41Å; C538-H555 VanDerWaalsContact SG-CE1 3.57Å; C538-H555 PolarHBondContact SG-NE2 2.89Å
539	G	84.4	Confident	83.7	Confident	49 Å²	49	70.6 Å²	70.6	51%	0.505	36%	0.361	S	S	.	.			trans	73.2	-8.3	-179.7	0	0	0	0	0	116	C535 R541	C535-G539 WeakPolarHBondContact O-CA 3.26Å; C535-G539 PolarHBondContact O-N 3.03Å; G539-R541 WeakPolarHBondContact O-CG 3.44Å; G539-R541 PolarHBondContact O-N 3.43Å
540	M	84.1	Confident	84.2	Confident	57 Å²	57	69.9 Å²	69.9	28%	0.281	34%	0.344	S	S	.	.			trans	-56.4	135.7	178.9	-79.7	-166.5	163.2	0	0	111.8	C357 A534 C535 C538 F542	C357-M540 HydrophobicContact CB-CE 4.25Å; A534-M540 CarbonylContact C-O 3.57Å; C535-M540 PolarHBondContact N-O 3.42Å; C538-M540 PolarHBondContact O-N 3.04Å; C538-M540 VanDerWaalsContact O-N 3.12Å; M540-F542 HydrophobicContact CB-CE2 3.91Å; M540-F542 HydrophobicContact CB-CZ 3.87Å; M540-F542 WeakPolarHBondContact O-CE2 3.47Å
541	R	85.2	Confident	84.8	Confident	118 Å²	118	69.8 Å²	69.8	45%	0.445	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	140	-176.2	-52.1	-167.3	72.7	121.8	8	112.9	K531 P532 F533 A534 G539	K531-R541 HydrophobicContact CB-CB 3.55Å; K531-R541 HydrophobicContact CD-CB 4.3Å; K531-R541 VanDerWaalsContact CD-O 3.3Å; K531-R541 WeakPolarHBondContact CD-O 3.29Å; K531-R541 HydrophobicContact CG-CB 4.49Å; K531-R541 PolarHBondContact O-NE 2.94Å; P532-R541 PolarHBondContact O-NH2 3.32Å; F533-R541 CarbonylContact O-C 3.59Å; F533-R541 WeakPolarHBondContact O-CA 3.42Å; A534-R541 HydrophobicContact CB-CG 4.12Å; G539-R541 WeakPolarHBondContact O-CG 3.44Å; G539-R541 PolarHBondContact O-N 3.43Å
542	F	82.9	Confident	85.1	Confident	40 Å²	40	67 Å²	67	18%	0.175	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.4	-173	-57	-83.1	0	0	0	112.2	K531 F533 C535 M540 R547 L548 H551	K531-F542 CarbonylContact C-O 3.29Å; K531-F542 VanDerWaalsContact C-O 3.28Å; K531-F542 VanDerWaalsContact CA-O 3.31Å; K531-F542 WeakPolarHBondContact CA-O 3.48Å; F533-F542 HydrophobicContact CB-CB 4.47Å; F533-F542 PolarHBondContact N-O 2.84Å; F533-F542 PolarHBondContact O-N 3.46Å; C535-F542 HydrophobicContact CB-CE2 4.32Å; M540-F542 HydrophobicContact CB-CE2 3.91Å; M540-F542 HydrophobicContact CB-CZ 3.87Å; M540-F542 WeakPolarHBondContact O-CE2 3.47Å; F542-R547 HydrophobicContact CB-CB 4.17Å; F542-R547 HydrophobicContact CD1-CB 3.97Å; F542-R547 HydrophobicContact CG-CB 4.28Å; F542-L548 HydrophobicContact CD2-CB 3.9Å; F542-L548 HydrophobicContact CD2-CD1 3.99Å; F542-L548 HydrophobicContact CE2-CD1 4.02Å; F542-L548 HydrophobicContact CG-CB 4.4Å; F542-H551 HydrophobicContact CE1-CB 4.09Å; F542-H551 HydrophobicContact CE2-CB 4.07Å; F542-H551 AromaticContact CE2-CD2 3.79Å; F542-H551 AromaticContact CE2-CG 3.85Å; F542-H551 HydrophobicContact CZ-CB 3.59Å; F542-H551 AromaticContact CZ-CD2 3.74Å; F542-H551 AromaticContact CZ-CG 3.36Å; F542-H551 AromaticContact CZ-ND1 3.61Å
543	T	80.5	Confident	85.6	Confident	47 Å²	47	68.4 Å²	68.4	29%	0.288	34%	0.335	S	S	.	.	S	Bend	trans	-80.7	-14.3	178.7	56.3	0	0	0	0	113.7	K531	K531-T543 HydrophobicContact CG-CG2 3.83Å
544	R	81.5	Confident	85.7	Confident	93 Å²	93	68.5 Å²	68.5	35%	0.351	34%	0.339	S	S	.	.	S	Bend	trans	-142.5	138.7	-174.4	-52.2	-176.3	-171.1	-177.2	-1.9	111	Y546 R547	R544-Y546 HydrophobicContact CB-CD1 4.04Å; R544-Y546 HydrophobicContact CB-CE1 3.88Å; R544-Y546 VanDerWaalsContact CD-CE1 3.4Å; R544-Y546 HydrophobicContact CG-CE1 4.28Å; R544-Y546 PolarHBondContact NH1-OH 3.5Å; R544-Y546 PolarHBondContact O-N 3.44Å; R544-R547 HydrophobicContact CB-CG 4.41Å; R544-R547 WeakPolarHBondContact O-CB 3.4Å; R544-R547 PolarHBondContact O-N 3.07Å; R544-R547 VanDerWaalsContact O-N 3.12Å
545	Q	83.9	Confident	85.7	Confident	107 Å²	107	69.4 Å²	69.4	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-43.2	-176.9	-167.5	178.5	6.2	0	0	113.1	F533 R547 L548 T549	F533-Q545 HydrophobicContact CD1-CB 3.95Å; F533-Q545 HydrophobicContact CD1-CG 4.16Å; F533-Q545 HydrophobicContact CE1-CB 3.7Å; F533-Q545 HydrophobicContact CE1-CG 4.11Å; F533-Q545 HydrophobicContact CE2-CB 4.29Å; F533-Q545 VanDerWaalsContact CE2-N 3.29Å; F533-Q545 HydrophobicContact CG-CB 4.35Å; F533-Q545 HydrophobicContact CZ-CB 3.88Å; Q545-R547 PolarHBondContact O-N 2.91Å; Q545-R547 VanDerWaalsContact O-N 3.16Å; Q545-L548 WeakPolarHBondContact O-CA 3.43Å; Q545-L548 WeakPolarHBondContact O-CB 3.4Å; Q545-L548 PolarHBondContact O-N 3.23Å; Q545-T549 PolarHBondContact O-N 3.14Å; Q545-T549 PolarHBondContact O-OG1 3.47Å
546	Y	83.9	Confident	85.5	Confident	116 Å²	116	72.6 Å²	72.6	46%	0.455	36%	0.358	S	S	.	.	H	α-helix	trans	-62.8	-25.2	179.5	78.2	-100.6	0	0	0	113.3	R544 T549 E550	R544-Y546 HydrophobicContact CB-CD1 4.04Å; R544-Y546 HydrophobicContact CB-CE1 3.88Å; R544-Y546 VanDerWaalsContact CD-CE1 3.4Å; R544-Y546 HydrophobicContact CG-CE1 4.28Å; R544-Y546 PolarHBondContact NH1-OH 3.5Å; R544-Y546 PolarHBondContact O-N 3.44Å; Y546-T549 PolarHBondContact O-N 3.31Å; Y546-E550 WeakPolarHBondContact O-CB 3.49Å; Y546-E550 PolarHBondContact O-N 2.95Å
547	R	86	Confident	85.5	Confident	80 Å²	80	65.5 Å²	65.5	30%	0.302	34%	0.337	S	S	.	.	H	α-helix	trans	-71.7	-36.5	174.1	-74.7	-61.2	-152.3	-160.9	5.9	111.4	F542 R544 Q545 E550 H551	F542-R547 HydrophobicContact CB-CB 4.17Å; F542-R547 HydrophobicContact CD1-CB 3.97Å; F542-R547 HydrophobicContact CG-CB 4.28Å; R544-R547 HydrophobicContact CB-CG 4.41Å; R544-R547 WeakPolarHBondContact O-CB 3.4Å; R544-R547 PolarHBondContact O-N 3.07Å; R544-R547 VanDerWaalsContact O-N 3.12Å; Q545-R547 PolarHBondContact O-N 2.91Å; Q545-R547 VanDerWaalsContact O-N 3.16Å; R547-E550 WeakPolarHBondContact CD-OE2 3.34Å; R547-E550 IonicContact CZ-OE2 3.63Å; R547-E550 IonicContact NE-OE2 3.82Å; R547-E550 IonicContact NH1-OE1 3.81Å; R547-E550 IonicContact NH1-OE2 2.7Å; R547-E550 PolarHBondContact NH1-OE2 3.21Å; R547-E550 PolarHBondContact O-N 3.36Å; R547-H551 VanDerWaalsContact O-CB 3.26Å; R547-H551 WeakPolarHBondContact O-CB 3.4Å; R547-H551 PolarHBondContact O-N 3.49Å
548	L	89.4	Confident	85.5	Confident	30 Å²	30	65.1 Å²	65.1	16%	0.157	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-49.1	168.9	172.8	60.6	0	0	0	110.3	F533 A534 C535 F542 Q545 E550 H551 M552	F533-L548 HydrophobicContact CB-CB 4.3Å; F533-L548 HydrophobicContact CB-CD2 4.03Å; A534-L548 VanDerWaalsContact O-CD2 3.22Å; A534-L548 WeakPolarHBondContact O-CD2 3.32Å; C535-L548 HydrophobicContact CB-CD1 3.68Å; F542-L548 HydrophobicContact CD2-CB 3.9Å; F542-L548 HydrophobicContact CD2-CD1 3.99Å; F542-L548 HydrophobicContact CE2-CD1 4.02Å; F542-L548 HydrophobicContact CG-CB 4.4Å; Q545-L548 WeakPolarHBondContact O-CA 3.43Å; Q545-L548 WeakPolarHBondContact O-CB 3.4Å; Q545-L548 PolarHBondContact O-N 3.23Å; L548-E550 VanDerWaalsContact C-N 3.28Å; L548-E550 PolarHBondContact O-N 3.06Å; L548-H551 CarbonylContact O-C 3.38Å; L548-H551 WeakPolarHBondContact O-CA 3.43Å; L548-H551 WeakPolarHBondContact O-CB 3.14Å; L548-H551 PolarHBondContact O-N 3.33Å; L548-M552 HydrophobicContact CD1-CG 4.25Å; L548-M552 HydrophobicContact CD1-SD 3.76Å; L548-M552 WeakPolarHBondContact O-CG 3.28Å; L548-M552 PolarHBondContact O-N 3.4Å
549	T	86.8	Confident	85.5	Confident	77 Å²	77	68.6 Å²	68.6	47%	0.472	35%	0.346	S	S	.	.	H	α-helix	trans	-60.3	-36	177.3	-42.1	0	0	0	0	112.9	Q545 Y546	Q545-T549 PolarHBondContact O-N 3.14Å; Q545-T549 PolarHBondContact O-OG1 3.47Å; Y546-T549 PolarHBondContact O-N 3.31Å
550	E	86.6	Confident	85.5	Confident	32 Å²	32	70 Å²	70	15%	0.15	35%	0.345	C	S	.	.	H	α-helix	trans	-69.2	-35.5	173.9	-177.2	174.6	-134	0	0	112.1	Y546 R547 L548 R553 Q572	Y546-E550 WeakPolarHBondContact O-CB 3.49Å; Y546-E550 PolarHBondContact O-N 2.95Å; R547-E550 WeakPolarHBondContact CD-OE2 3.34Å; R547-E550 IonicContact CZ-OE2 3.63Å; R547-E550 IonicContact NE-OE2 3.82Å; R547-E550 IonicContact NH1-OE1 3.81Å; R547-E550 IonicContact NH1-OE2 2.7Å; R547-E550 PolarHBondContact NH1-OE2 3.21Å; R547-E550 PolarHBondContact O-N 3.36Å; L548-E550 VanDerWaalsContact C-N 3.28Å; L548-E550 PolarHBondContact O-N 3.06Å; E550-R553 WeakPolarHBondContact O-CB 3.47Å; E550-Q572 HydrophobicContact CG-CG 3.85Å; E550-Q572 WeakPolarHBondContact OE1-CG 3.18Å; E550-Q572 PolarHBondContact OE1-NE2 2.85Å; E550-Q572 PolarHBondContact OE1-OE1 3.14Å
551	H	88.8	Confident	85.7	Confident	23 Å²	23	70.4 Å²	70.4	11%	0.106	35%	0.345	C	S	.	.	H	α-helix	trans	-73	-36	175.3	170.1	85.6	0	0	0	113.1	C538 F542 R547 L548 R553 V554 H555	C538-H551 PolarHBondContact SG-NE2 3.37Å; F542-H551 HydrophobicContact CE1-CB 4.09Å; F542-H551 HydrophobicContact CE2-CB 4.07Å; F542-H551 AromaticContact CE2-CD2 3.79Å; F542-H551 AromaticContact CE2-CG 3.85Å; F542-H551 HydrophobicContact CZ-CB 3.59Å; F542-H551 AromaticContact CZ-CD2 3.74Å; F542-H551 AromaticContact CZ-CG 3.36Å; F542-H551 AromaticContact CZ-ND1 3.61Å; R547-H551 VanDerWaalsContact O-CB 3.26Å; R547-H551 WeakPolarHBondContact O-CB 3.4Å; R547-H551 PolarHBondContact O-N 3.49Å; L548-H551 CarbonylContact O-C 3.38Å; L548-H551 WeakPolarHBondContact O-CA 3.43Å; L548-H551 WeakPolarHBondContact O-CB 3.14Å; L548-H551 PolarHBondContact O-N 3.33Å; H551-R553 PolarHBondContact O-N 2.72Å; H551-V554 VanDerWaalsContact O-CB 3.28Å; H551-V554 WeakPolarHBondContact O-CB 3.39Å; H551-V554 WeakPolarHBondContact O-CG2 3.32Å; H551-V554 PolarHBondContact O-N 2.77Å; H551-H555 AromaticContact CD2-NE2 3.07Å; H551-H555 PolarHBondContact CD2-NE2 2.77Å; H551-H555 AromaticContact CE1-NE2 3Å; H551-H555 PolarHBondContact CE1-NE2 3.35Å; H551-H555 AromaticContact NE2-CD2 3.81Å; H551-H555 AromaticContact NE2-NE2 2.17Å; H551-H555 PolarHBondContact NE2-NE2 3.25Å
552	M	87.1	Confident	86	Confident	56 Å²	56	68.4 Å²	68.4	28%	0.276	34%	0.34	S	S	.	.	H	α-helix	trans	-58.4	-22.5	176.2	-62.6	-45.6	-66.4	0	0	112.9	C535 E537 L548 V554 H555 S556	C535-M552 HydrophobicContact CB-SD 4.35Å; E537-M552 HydrophobicContact CG-CE 4.15Å; E537-M552 WeakPolarHBondContact OE1-CE 3.12Å; L548-M552 HydrophobicContact CD1-CG 4.25Å; L548-M552 HydrophobicContact CD1-SD 3.76Å; L548-M552 WeakPolarHBondContact O-CG 3.28Å; L548-M552 PolarHBondContact O-N 3.4Å; M552-V554 PolarHBondContact O-N 3.19Å; M552-H555 PolarHBondContact O-N 3.26Å; M552-S556 PolarHBondContact O-N 3.14Å; M552-S556 PolarHBondContact O-OG 3.28Å
553	R	87.8	Confident	86.3	Confident	57 Å²	57	66.5 Å²	66.5	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-69.3	-14.3	173	-61.1	-179.6	-175.5	163.3	3.3	114.3	E550 H551 S556 G557 E558 T571	E550-R553 WeakPolarHBondContact O-CB 3.47Å; H551-R553 PolarHBondContact O-N 2.72Å; R553-S556 WeakPolarHBondContact CA-OG 3.38Å; R553-G557 CarbonylContact O-C 3.28Å; R553-G557 WeakPolarHBondContact O-CA 3.44Å; R553-G557 PolarHBondContact O-N 3.29Å; R553-G557 VanDerWaalsContact O-N 3.16Å; R553-E558 HydrophobicContact CB-CB 4.48Å; R553-E558 HydrophobicContact CG-CB 4.35Å; R553-E558 PolarHBondContact O-N 3.24Å; R553-T571 HydrophobicContact CB-CG2 4.38Å; R553-T571 PolarHBondContact NH1-O 2.88Å
554	V	87.1	Confident	86.8	Confident	51 Å²	51	72.2 Å²	72.2	31%	0.309	36%	0.355	S	S	.	.	H	α-helix	trans	-73.4	-44.6	170	-177	0	0	0	0	109.4	F355 H551 M552	F355-V554 HydrophobicContact CB-CG1 4.32Å; F355-V554 HydrophobicContact CD1-CG1 3.92Å; F355-V554 HydrophobicContact CD2-CG1 4.37Å; F355-V554 HydrophobicContact CE1-CG1 4.31Å; F355-V554 HydrophobicContact CG-CG1 3.96Å; H551-V554 VanDerWaalsContact O-CB 3.28Å; H551-V554 WeakPolarHBondContact O-CB 3.39Å; H551-V554 WeakPolarHBondContact O-CG2 3.32Å; H551-V554 PolarHBondContact O-N 2.77Å; M552-V554 PolarHBondContact O-N 3.19Å
555	H	86.5	Confident	87	Confident	60 Å²	60	73.4 Å²	73.4	28%	0.278	37%	0.368	S	S	.	.	H	α-helix	trans	-70.5	-47.1	177.9	-59.9	-57.9	0	0	0	112.4	C357 C535 E537 C538 H551 M552 G557	C357-H555 PolarHBondContact SG-CE1 3.31Å; C535-H555 PolarHBondContact SG-NE2 3.5Å; E537-H555 WeakPolarHBondContact OE1-CB 3.4Å; E537-H555 IonicContact OE1-CD2 3.93Å; E537-H555 IonicContact OE1-CG 3.72Å; E537-H555 WeakPolarHBondContact OE2-CB 3.3Å; E537-H555 IonicContact OE2-CG 3.78Å; C538-H555 WeakPolarHBondContact CB-CE1 3.41Å; C538-H555 VanDerWaalsContact SG-CE1 3.57Å; C538-H555 PolarHBondContact SG-NE2 2.89Å; H551-H555 AromaticContact CD2-NE2 3.07Å; H551-H555 PolarHBondContact CD2-NE2 2.77Å; H551-H555 AromaticContact CE1-NE2 3Å; H551-H555 PolarHBondContact CE1-NE2 3.35Å; H551-H555 AromaticContact NE2-CD2 3.81Å; H551-H555 AromaticContact NE2-NE2 2.17Å; H551-H555 PolarHBondContact NE2-NE2 3.25Å; M552-H555 PolarHBondContact O-N 3.26Å; H555-G557 PolarHBondContact O-N 2.82Å
556	S	84.9	Confident	87.3	Confident	68 Å²	68	71.7 Å²	71.7	48%	0.476	37%	0.367	S	S	.	.	S	Bend	trans	-74.9	-11.2	177.4	70.7	0	0	0	0	114.3	M552 R553 E558	M552-S556 PolarHBondContact O-N 3.14Å; M552-S556 PolarHBondContact O-OG 3.28Å; R553-S556 WeakPolarHBondContact CA-OG 3.38Å; S556-E558 PolarHBondContact O-N 2.56Å; S556-E558 WeakPolarHBondContact OG-CB 3.33Å; S556-E558 WeakPolarHBondContact OG-CG 3.38Å; S556-E558 PolarHBondContact OG-N 2.98Å
557	G	85.6	Confident	87.5	Confident	44 Å²	44	67.9 Å²	67.9	45%	0.454	36%	0.363	S	S	.	.			trans	66.5	6.5	-174.2	0	0	0	0	0	115.1	R553 H555 K559	R553-G557 CarbonylContact O-C 3.28Å; R553-G557 WeakPolarHBondContact O-CA 3.44Å; R553-G557 PolarHBondContact O-N 3.29Å; R553-G557 VanDerWaalsContact O-N 3.16Å; H555-G557 PolarHBondContact O-N 2.82Å; G557-K559 PolarHBondContact O-N 3.48Å
558	E	85.6	Confident	87.6	Confident	119 Å²	119	65.2 Å²	65.2	56%	0.556	36%	0.36	S	S	*	.			trans	-65	117.7	-173.7	-78.8	-174.7	157.9	0	0	112.9	R553 S556 P560	R553-E558 HydrophobicContact CB-CB 4.48Å; R553-E558 HydrophobicContact CG-CB 4.35Å; R553-E558 PolarHBondContact O-N 3.24Å; S556-E558 PolarHBondContact O-N 2.56Å; S556-E558 WeakPolarHBondContact OG-CB 3.33Å; S556-E558 WeakPolarHBondContact OG-CG 3.38Å; S556-E558 PolarHBondContact OG-N 2.98Å; E558-P560 VanDerWaalsContact C-CD 3.41Å; E558-P560 WeakPolarHBondContact O-CD 3.41Å
559	K	86.1	Confident	87.6	Confident	117 Å²	117	69 Å²	69	51%	0.509	38%	0.376	S	S	.	.			trans	-114.6	74	177.7	-68	169.4	-173.4	178.1	0	110.5	G557 Y561 K569 F570 T571	G557-K559 PolarHBondContact O-N 3.48Å; K559-Y561 PolarHBondContact O-N 3.32Å; K559-K569 HydrophobicContact CB-CB 3.67Å; K559-K569 HydrophobicContact CD-CB 4.26Å; K559-F570 CarbonylContact C-O 3.48Å; K559-F570 VanDerWaalsContact C-O 3.27Å; K559-F570 VanDerWaalsContact CA-O 3.31Å; K559-F570 WeakPolarHBondContact CA-O 3.36Å; K559-T571 HydrophobicContact CG-CG2 3.84Å
560	P	85.3	Confident	87.6	Confident	77 Å²	77	67.5 Å²	67.5	50%	0.5	36%	0.363	S	S	.	.			trans	-73.7	-7.3	-170.9	30.4	-37.2	0	0	0	114.8	E558	E558-P560 VanDerWaalsContact C-CD 3.41Å; E558-P560 WeakPolarHBondContact O-CD 3.41Å
561	Y	88	Confident	87.5	Confident	67 Å²	67	67.5 Å²	67.5	26%	0.263	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	114.3	179.6	-53.1	-75.7	0	0	0	110.3	K559 K569 F570 T571 Q573	K559-Y561 PolarHBondContact O-N 3.32Å; Y561-K569 CarbonylContact O-C 3.55Å; Y561-K569 WeakPolarHBondContact O-CA 3.22Å; Y561-F570 PolarHBondContact N-O 3.41Å; Y561-F570 PolarHBondContact O-N 2.93Å; Y561-T571 WeakPolarHBondContact CE2-O 3.4Å; Y561-Q573 HydrophobicContact CD1-CB 4.11Å; Y561-Q573 HydrophobicContact CD1-CG 4.3Å; Y561-Q573 HydrophobicContact CE1-CB 3.78Å; Y561-Q573 HydrophobicContact CE1-CG 4.15Å; Y561-Q573 HydrophobicContact CE2-CB 4.28Å; Y561-Q573 VanDerWaalsContact CE2-N 3.3Å
562	E	91	Very high	87.3	Confident	75 Å²	75	67.9 Å²	67.9	35%	0.35	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.1	-175.5	-179.4	161.3	-166.4	0	0	112.2	Q564 G568 K569	E562-Q564 PolarHBondContact O-N 3.27Å; E562-Q564 PolarHBondContact O-NE2 2.88Å; E562-G568 WeakPolarHBondContact CA-O 3.49Å; E562-K569 HydrophobicContact CB-CG 4.37Å; E562-K569 VanDerWaalsContact CD-CE 3.41Å; E562-K569 HydrophobicContact CG-CD 4.5Å; E562-K569 HydrophobicContact CG-CG 4.1Å; E562-K569 WeakPolarHBondContact OE1-CE 3.37Å; E562-K569 IonicContact OE1-NZ 2.89Å; E562-K569 PolarHBondContact OE1-NZ 2.89Å; E562-K569 WeakPolarHBondContact OE2-CE 3.36Å; E562-K569 IonicContact OE2-NZ 2.68Å; E562-K569 PolarHBondContact OE2-NZ 3Å
563	C	90.8	Very high	87.3	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.007	37%	0.37	C	S	.	.			trans	-73.8	111.7	176.7	-175.6	0	0	0	0	110.7	L565 C566 G567 G568 F570 L576	C563-L565 PolarHBondContact O-N 2.92Å; C563-L565 VanDerWaalsContact O-N 3.08Å; C563-C566 PolarHBondContact O-N 3.42Å; C563-C566 VanDerWaalsContact SG-SG 3.68Å; C563-G567 WeakPolarHBondContact O-CA 3.39Å; C563-G567 PolarHBondContact O-N 2.79Å; C563-G568 PolarHBondContact N-O 3.08Å; C563-F570 HydrophobicContact CB-CE2 4.26Å; C563-L576 HydrophobicContact CB-CD1 3.57Å
564	Q	89.4	Confident	87.2	Confident	167 Å²	167	72.7 Å²	72.7	78%	0.78	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-11	-178.3	-54.9	-56.5	-64.8	0	0	114	E562	E562-Q564 PolarHBondContact O-N 3.27Å; E562-Q564 PolarHBondContact O-NE2 2.88Å
565	L	87	Confident	87.3	Confident	117 Å²	117	73.2 Å²	73.2	61%	0.613	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-22.3	178.7	-57.9	177.3	0	0	0	113.5	C563 L580 H583	C563-L565 PolarHBondContact O-N 2.92Å; C563-L565 VanDerWaalsContact O-N 3.08Å; L565-L580 HydrophobicContact CD1-CD2 4.14Å; L565-H583 HydrophobicContact CD1-CB 3.55Å
566	C	90.4	Very high	87.4	Confident	72 Å²	72	71.5 Å²	71.5	49%	0.486	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.1	-2.5	-173.7	68.6	0	0	0	0	115.8	C563 G568 H579	C563-C566 PolarHBondContact O-N 3.42Å; C563-C566 VanDerWaalsContact SG-SG 3.68Å; C566-G568 PolarHBondContact O-N 3.1Å; C566-G568 PolarHBondContact SG-N 2.92Å; C566-G568 VanDerWaalsContact SG-N 3.35Å; C566-H579 PolarHBondContact SG-NE2 3.4Å
567	G	87.7	Confident	87.6	Confident	36 Å²	36	71.5 Å²	71.5	37%	0.371	37%	0.373	S	S	.	.			trans	72.5	4.9	-174.1	0	0	0	0	0	114.9	C563 K569	C563-G567 WeakPolarHBondContact O-CA 3.39Å; C563-G567 PolarHBondContact O-N 2.79Å; G567-K569 VanDerWaalsContact O-CG 3.27Å; G567-K569 WeakPolarHBondContact O-CG 3.38Å; G567-K569 PolarHBondContact O-N 2.87Å
568	G	87.8	Confident	87.7	Confident	23 Å²	23	73 Å²	73	24%	0.237	38%	0.376	C	S	.	.			trans	-63.7	124.3	178.8	0	0	0	0	0	111.8	E562 C563 C566 F570	E562-G568 WeakPolarHBondContact CA-O 3.49Å; C563-G568 PolarHBondContact N-O 3.08Å; C566-G568 PolarHBondContact O-N 3.1Å; C566-G568 PolarHBondContact SG-N 2.92Å; C566-G568 VanDerWaalsContact SG-N 3.35Å; G568-F570 WeakPolarHBondContact O-CD2 3.14Å; G568-F570 WeakPolarHBondContact O-CE2 3.43Å
569	K	89.3	Confident	87.9	Confident	111 Å²	111	69.1 Å²	69.1	48%	0.483	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.8	-174.9	-44.3	-162.3	-171.6	-135.4	0	112.1	K559 Y561 E562 G567	K559-K569 HydrophobicContact CB-CB 3.67Å; K559-K569 HydrophobicContact CD-CB 4.26Å; Y561-K569 CarbonylContact O-C 3.55Å; Y561-K569 WeakPolarHBondContact O-CA 3.22Å; E562-K569 HydrophobicContact CB-CG 4.37Å; E562-K569 VanDerWaalsContact CD-CE 3.41Å; E562-K569 HydrophobicContact CG-CD 4.5Å; E562-K569 HydrophobicContact CG-CG 4.1Å; E562-K569 WeakPolarHBondContact OE1-CE 3.37Å; E562-K569 IonicContact OE1-NZ 2.89Å; E562-K569 PolarHBondContact OE1-NZ 2.89Å; E562-K569 WeakPolarHBondContact OE2-CE 3.36Å; E562-K569 IonicContact OE2-NZ 2.68Å; E562-K569 PolarHBondContact OE2-NZ 3Å; G567-K569 VanDerWaalsContact O-CG 3.27Å; G567-K569 WeakPolarHBondContact O-CG 3.38Å; G567-K569 PolarHBondContact O-N 2.87Å
570	F	86.1	Confident	88	Confident	45 Å²	45	66.5 Å²	66.5	20%	0.197	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.5	-172	-56.4	-87.5	0	0	0	111.6	K559 Y561 C563 G568 N575 L576 H579	K559-F570 CarbonylContact C-O 3.48Å; K559-F570 VanDerWaalsContact C-O 3.27Å; K559-F570 VanDerWaalsContact CA-O 3.31Å; K559-F570 WeakPolarHBondContact CA-O 3.36Å; Y561-F570 PolarHBondContact N-O 3.41Å; Y561-F570 PolarHBondContact O-N 2.93Å; C563-F570 HydrophobicContact CB-CE2 4.26Å; G568-F570 WeakPolarHBondContact O-CD2 3.14Å; G568-F570 WeakPolarHBondContact O-CE2 3.43Å; F570-N575 HydrophobicContact CB-CB 4.28Å; F570-N575 HydrophobicContact CD1-CB 3.9Å; F570-N575 HydrophobicContact CG-CB 4.36Å; F570-L576 HydrophobicContact CB-CB 4.49Å; F570-L576 HydrophobicContact CD2-CB 3.96Å; F570-L576 HydrophobicContact CD2-CD1 3.95Å; F570-L576 HydrophobicContact CE2-CD1 4Å; F570-L576 HydrophobicContact CG-CB 4.36Å; F570-H579 HydrophobicContact CE1-CB 4.09Å; F570-H579 HydrophobicContact CE2-CB 4.12Å; F570-H579 AromaticContact CE2-CD2 3.62Å; F570-H579 AromaticContact CE2-CG 3.94Å; F570-H579 HydrophobicContact CZ-CB 3.58Å; F570-H579 AromaticContact CZ-CD2 3.5Å; F570-H579 VanDerWaalsContact CZ-CD2 3.5Å; F570-H579 WeakPolarHBondContact CZ-CD2 3.41Å; F570-H579 AromaticContact CZ-CG 3.39Å; F570-H579 AromaticContact CZ-ND1 4Å
571	T	85.3	Confident	88.1	Confident	32 Å²	32	70.6 Å²	70.6	20%	0.196	35%	0.354	C	S	.	.	S	Bend	trans	-77	-21.8	176.1	48.8	0	0	0	0	113.3	R553 K559 Y561	R553-T571 HydrophobicContact CB-CG2 4.38Å; R553-T571 PolarHBondContact NH1-O 2.88Å; K559-T571 HydrophobicContact CG-CG2 3.84Å; Y561-T571 WeakPolarHBondContact CE2-O 3.4Å
572	Q	85.5	Confident	88	Confident	31 Å²	31	73.8 Å²	73.8	15%	0.145	37%	0.374	C	S	.	.	S	Bend	trans	-133.8	138.3	-170.5	-54.4	-178.2	-3.6	0	0	111.8	E550 R574 N575 L576	E550-Q572 HydrophobicContact CG-CG 3.85Å; E550-Q572 WeakPolarHBondContact OE1-CG 3.18Å; E550-Q572 PolarHBondContact OE1-NE2 2.85Å; E550-Q572 PolarHBondContact OE1-OE1 3.14Å; Q572-R574 VanDerWaalsContact C-N 3.35Å; Q572-R574 HydrophobicContact CB-CG 4.29Å; Q572-R574 PolarHBondContact O-N 3.03Å; Q572-R574 VanDerWaalsContact OE1-CZ 3.27Å; Q572-N575 HydrophobicContact CB-CB 4.49Å; Q572-N575 PolarHBondContact O-N 3.07Å; Q572-L576 PolarHBondContact O-N 3.23Å
573	Q	86.3	Confident	87.6	Confident	72 Å²	72	73.9 Å²	73.9	34%	0.336	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-39.9	-177.8	-168	-171.7	-38.1	0	0	112	Y561 N575 L576 I577	Y561-Q573 HydrophobicContact CD1-CB 4.11Å; Y561-Q573 HydrophobicContact CD1-CG 4.3Å; Y561-Q573 HydrophobicContact CE1-CB 3.78Å; Y561-Q573 HydrophobicContact CE1-CG 4.15Å; Y561-Q573 HydrophobicContact CE2-CB 4.28Å; Y561-Q573 VanDerWaalsContact CE2-N 3.3Å; Q573-N575 VanDerWaalsContact C-N 3.25Å; Q573-N575 PolarHBondContact O-N 2.94Å; Q573-L576 PolarHBondContact O-N 2.87Å; Q573-L576 VanDerWaalsContact O-N 3.16Å; Q573-I577 HydrophobicContact CG-CD1 4.16Å; Q573-I577 WeakPolarHBondContact O-CG1 3.41Å; Q573-I577 PolarHBondContact O-N 2.91Å
574	R	86.4	Confident	86.7	Confident	142 Å²	142	78.9 Å²	78.9	54%	0.536	41%	0.405	S	S	.	.	H	α-helix	trans	-59.4	-34.2	177.9	67.5	-177.9	178	148.8	4.5	112.9	Q572 I577 S578	Q572-R574 VanDerWaalsContact C-N 3.35Å; Q572-R574 HydrophobicContact CB-CG 4.29Å; Q572-R574 PolarHBondContact O-N 3.03Å; Q572-R574 VanDerWaalsContact OE1-CZ 3.27Å; R574-I577 PolarHBondContact O-N 3.01Å; R574-S578 WeakPolarHBondContact O-CB 3.32Å; R574-S578 PolarHBondContact O-N 3.2Å
575	N	87.5	Confident	85.5	Confident	61 Å²	61	74.7 Å²	74.7	33%	0.326	39%	0.393	S	S	.	.	H	α-helix	trans	-71.3	-39.4	178.7	-61.9	6.7	0	0	0	110.6	F570 Q572 Q573 H579	F570-N575 HydrophobicContact CB-CB 4.28Å; F570-N575 HydrophobicContact CD1-CB 3.9Å; F570-N575 HydrophobicContact CG-CB 4.36Å; Q572-N575 HydrophobicContact CB-CB 4.49Å; Q572-N575 PolarHBondContact O-N 3.07Å; Q573-N575 VanDerWaalsContact C-N 3.25Å; Q573-N575 PolarHBondContact O-N 2.94Å; N575-H579 VanDerWaalsContact O-CB 3.29Å; N575-H579 WeakPolarHBondContact O-CB 3.31Å; N575-H579 PolarHBondContact O-N 3.34Å
576	L	89.6	Confident	84.1	Confident	24 Å²	24	75.1 Å²	75.1	13%	0.126	40%	0.403	C	S	.	.	H	α-helix	trans	-62.9	-43.6	171.3	173.7	60.8	0	0	0	111.5	C563 F570 Q572 Q573 H579 L580	C563-L576 HydrophobicContact CB-CD1 3.57Å; F570-L576 HydrophobicContact CB-CB 4.49Å; F570-L576 HydrophobicContact CD2-CB 3.96Å; F570-L576 HydrophobicContact CD2-CD1 3.95Å; F570-L576 HydrophobicContact CE2-CD1 4Å; F570-L576 HydrophobicContact CG-CB 4.36Å; Q572-L576 PolarHBondContact O-N 3.23Å; Q573-L576 PolarHBondContact O-N 2.87Å; Q573-L576 VanDerWaalsContact O-N 3.16Å; L576-H579 PolarHBondContact O-N 3.03Å; L576-L580 HydrophobicContact CD1-CD1 4.06Å; L576-L580 HydrophobicContact CD1-CG 4.01Å; L576-L580 HydrophobicContact CG-CD1 3.98Å; L576-L580 HydrophobicContact CG-CG 4.39Å; L576-L580 WeakPolarHBondContact O-CB 3.25Å; L576-L580 VanDerWaalsContact O-CG 3.3Å; L576-L580 WeakPolarHBondContact O-CG 3.28Å; L576-L580 PolarHBondContact O-N 2.96Å
577	I	88.6	Confident	81.8	Confident	69 Å²	69	80.8 Å²	80.8	35%	0.354	44%	0.444	S	S	.	.	H	α-helix	trans	-62.6	-46.8	177.9	-67.1	167.1	0	0	0	110.8	Q573 R574 H579 L580 R581	Q573-I577 HydrophobicContact CG-CD1 4.16Å; Q573-I577 WeakPolarHBondContact O-CG1 3.41Å; Q573-I577 PolarHBondContact O-N 2.91Å; R574-I577 PolarHBondContact O-N 3.01Å; I577-H579 VanDerWaalsContact C-N 3.29Å; I577-H579 PolarHBondContact O-N 3.3Å; I577-L580 PolarHBondContact O-N 2.92Å; I577-R581 PolarHBondContact O-N 3.47Å
578	S	88.4	Confident	81.5	Confident	75 Å²	75	83 Å²	83	52%	0.524	45%	0.447	S	S	.	.	H	α-helix	trans	-60.9	-38.6	175.9	-170.6	0	0	0	0	112.1	R574 R581	R574-S578 WeakPolarHBondContact O-CB 3.32Å; R574-S578 PolarHBondContact O-N 3.2Å; S578-R581 PolarHBondContact O-N 3.43Å
579	H	89.7	Confident	81.2	Confident	38 Å²	38	86.2 Å²	86.2	18%	0.176	46%	0.458	C	S	.	.	H	α-helix	trans	-68.5	-39.1	175.2	176.2	65.1	0	0	0	112.6	C566 F570 N575 L576 I577 R581 M582 H583	C566-H579 PolarHBondContact SG-NE2 3.4Å; F570-H579 HydrophobicContact CE1-CB 4.09Å; F570-H579 HydrophobicContact CE2-CB 4.12Å; F570-H579 AromaticContact CE2-CD2 3.62Å; F570-H579 AromaticContact CE2-CG 3.94Å; F570-H579 HydrophobicContact CZ-CB 3.58Å; F570-H579 AromaticContact CZ-CD2 3.5Å; F570-H579 VanDerWaalsContact CZ-CD2 3.5Å; F570-H579 WeakPolarHBondContact CZ-CD2 3.41Å; F570-H579 AromaticContact CZ-CG 3.39Å; F570-H579 AromaticContact CZ-ND1 4Å; N575-H579 VanDerWaalsContact O-CB 3.29Å; N575-H579 WeakPolarHBondContact O-CB 3.31Å; N575-H579 PolarHBondContact O-N 3.34Å; L576-H579 PolarHBondContact O-N 3.03Å; I577-H579 VanDerWaalsContact C-N 3.29Å; I577-H579 PolarHBondContact O-N 3.3Å; H579-R581 PolarHBondContact O-N 3.39Å; H579-M582 VanDerWaalsContact O-CB 3.24Å; H579-M582 WeakPolarHBondContact O-CB 3.49Å; H579-M582 WeakPolarHBondContact O-CG 3.35Å; H579-M582 PolarHBondContact O-N 2.96Å; H579-H583 AromaticContact CD2-NE2 3.7Å; H579-H583 AromaticContact CE1-NE2 3.39Å; H579-H583 PolarHBondContact CE1-NE2 3.21Å; H579-H583 AromaticContact NE2-CD2 3.8Å; H579-H583 AromaticContact NE2-NE2 2.97Å; H579-H583 PolarHBondContact NE2-NE2 3.01Å; H579-H583 PolarHBondContact O-CD2 3.33Å
580	L	87.9	Confident	80.8	Confident	62 Å²	62	84.8 Å²	84.8	33%	0.325	46%	0.457	S	S	.	.	H	α-helix	trans	-60.8	-34.1	176.1	-75.8	168.1	0	0	0	112.1	L565 L576 I577 M582 H583 T584	L565-L580 HydrophobicContact CD1-CD2 4.14Å; L576-L580 HydrophobicContact CD1-CD1 4.06Å; L576-L580 HydrophobicContact CD1-CG 4.01Å; L576-L580 HydrophobicContact CG-CD1 3.98Å; L576-L580 HydrophobicContact CG-CG 4.39Å; L576-L580 WeakPolarHBondContact O-CB 3.25Å; L576-L580 VanDerWaalsContact O-CG 3.3Å; L576-L580 WeakPolarHBondContact O-CG 3.28Å; L576-L580 PolarHBondContact O-N 2.96Å; I577-L580 PolarHBondContact O-N 2.92Å; L580-M582 PolarHBondContact O-N 3.19Å; L580-H583 PolarHBondContact O-N 3.33Å; L580-T584 PolarHBondContact O-N 3.41Å; L580-T584 PolarHBondContact O-OG1 3.18Å
581	R	87.9	Confident	80.5	Confident	162 Å²	162	87.1 Å²	87.1	61%	0.611	47%	0.472	S	S	*	.	H	α-helix	trans	-57.8	-27.9	173.2	-65.8	177.2	-176	-177.1	0.6	113	I577 S578 H579 H583 T584 S585	I577-R581 PolarHBondContact O-N 3.47Å; S578-R581 PolarHBondContact O-N 3.43Å; H579-R581 PolarHBondContact O-N 3.39Å; R581-H583 VanDerWaalsContact C-N 3.34Å; R581-T584 WeakPolarHBondContact CA-OG1 3.42Å; R581-T584 PolarHBondContact O-N 3.44Å; R581-T584 PolarHBondContact O-OG1 3.38Å; R581-S585 PolarHBondContact O-N 2.96Å
582	M	85.3	Confident	80.2	Confident	135 Å²	135	90.6 Å²	90.6	67%	0.665	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-22.2	176.2	-51.7	173.4	66.5	0	0	113.6	H579 L580 S585	H579-M582 VanDerWaalsContact O-CB 3.24Å; H579-M582 WeakPolarHBondContact O-CB 3.49Å; H579-M582 WeakPolarHBondContact O-CG 3.35Å; H579-M582 PolarHBondContact O-N 2.96Å; L580-M582 PolarHBondContact O-N 3.19Å; M582-S585 PolarHBondContact O-OG 2.83Å
583	H	82.7	Confident	79.8	Confident	77 Å²	77	94.5 Å²	94.5	36%	0.356	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-22.9	174.9	-64.7	-88.5	0	0	0	112.2	L565 H579 L580 R581	L565-H583 HydrophobicContact CD1-CB 3.55Å; H579-H583 AromaticContact CD2-NE2 3.7Å; H579-H583 AromaticContact CE1-NE2 3.39Å; H579-H583 PolarHBondContact CE1-NE2 3.21Å; H579-H583 AromaticContact NE2-CD2 3.8Å; H579-H583 AromaticContact NE2-NE2 2.97Å; H579-H583 PolarHBondContact NE2-NE2 3.01Å; H579-H583 PolarHBondContact O-CD2 3.33Å; L580-H583 PolarHBondContact O-N 3.33Å; R581-H583 VanDerWaalsContact C-N 3.34Å
584	T	73.2	Confident	79.3	Confident	106 Å²	106	96.1 Å²	96.1	65%	0.65	53%	0.525	S	S	*	.	S	Bend	trans	-96.6	-1.6	-177.8	58.9	0	0	0	0	114.4	L580 R581 P586	L580-T584 PolarHBondContact O-N 3.41Å; L580-T584 PolarHBondContact O-OG1 3.18Å; R581-T584 WeakPolarHBondContact CA-OG1 3.42Å; R581-T584 PolarHBondContact O-N 3.44Å; R581-T584 PolarHBondContact O-OG1 3.38Å; T584-P586 WeakPolarHBondContact O-CD 3.39Å
585	S	62.8	Low	78.8	Confident	78 Å²	78	92.6 Å²	92.6	55%	0.545	52%	0.524	S	S	.	.			trans	-80.5	111.2	176	52.7	0	0	0	0	111	R581 M582	R581-S585 PolarHBondContact O-N 2.96Å; M582-S585 PolarHBondContact O-OG 2.83Å
586	P	57.8	Low	78.1	Confident	126 Å²	126	95.3 Å²	95.3	82%	0.818	54%	0.541	S	S	*	.			trans	-69.3	141.7	165.6	31.5	-34	0	0	0	109.7	T584	T584-P586 WeakPolarHBondContact O-CD 3.39Å
587	S	43.1	Very low	77	Confident	191 Å²	191	101.7 Å²	101.7	100%	1.336	58%	0.578	S	S	*	*			trans	-86.3	0	174.6	60.6	0	0	0	0	112.2

Retrieved 587 of 587 residues in 289.2 ms (Link to these results)

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