A0A5K4F3W6_SCHMA Loading...

EF-hand domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F3W6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 674 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.2	Very low	62.6	Low	211 Å²	211	108.6 Å²	108.6	100%	1.039	59%	0.592	S	S	*	*				0	48.8	0	-71.7	177.3	178.2	0	0	107.4
2	D	44.3	Very low	63.8	Low	144 Å²	144	99.7 Å²	99.7	77%	0.77	54%	0.543	S	S	*	.			trans	-101.1	-18.2	-144.7	-48.3	-55.3	0	0	0	113.4	C4	D2-C4 PolarHBondContact O-N 2.67Å
3	D	46.8	Very low	65.2	Low	151 Å²	151	100.4 Å²	100.4	81%	0.807	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-32.9	178.6	-73.8	-36.6	0	0	0	113.8	S5 S6	D3-S5 PolarHBondContact O-N 2.87Å; D3-S5 VanDerWaalsContact O-N 3.1Å; D3-S6 PolarHBondContact O-N 2.73Å
4	C	45.2	Very low	66.3	Low	94 Å²	94	101.8 Å²	101.8	64%	0.635	54%	0.535	S	S	*	.	H	α-helix	trans	-65.7	-20.6	-171.3	-169.1	0	0	0	0	113.6	D2 S6	D2-C4 PolarHBondContact O-N 2.67Å; C4-S6 VanDerWaalsContact C-N 3.34Å; C4-S6 PolarHBondContact O-N 3.4Å
5	S	63.5	Low	67	Low	73 Å²	73	96.5 Å²	96.5	51%	0.51	51%	0.507	S	S	.	.	H	α-helix	trans	-73.7	-22.9	-179.5	-56.6	0	0	0	0	113.4	D3 I9	D3-S5 PolarHBondContact O-N 2.87Å; D3-S5 VanDerWaalsContact O-N 3.1Å; S5-I9 WeakPolarHBondContact O-CD1 3.49Å; S5-I9 WeakPolarHBondContact O-CG1 3.45Å
6	S	71.5	Confident	67.9	Low	77 Å²	77	91.1 Å²	91.1	54%	0.538	48%	0.478	S	S	.	.	H	α-helix	trans	-71.3	-49.6	-173.1	-168.3	0	0	0	0	112.5	D3 C4 I8 I9 E10	D3-S6 PolarHBondContact O-N 2.73Å; C4-S6 VanDerWaalsContact C-N 3.34Å; C4-S6 PolarHBondContact O-N 3.4Å; S6-I8 VanDerWaalsContact C-N 3.29Å; S6-I8 PolarHBondContact O-N 3.08Å; S6-I9 PolarHBondContact O-N 2.73Å; S6-E10 PolarHBondContact O-N 3.45Å; S6-E10 VanDerWaalsContact O-N 3.15Å
7	D	73.5	Confident	68.6	Low	111 Å²	111	94.5 Å²	94.5	59%	0.594	49%	0.494	S	S	*	.	H	α-helix	trans	-64.3	-33.7	-174.6	-69.1	-19.5	0	0	0	112.8	E10 Q11	D7-E10 PolarHBondContact O-N 2.93Å; D7-Q11 WeakPolarHBondContact O-CG 3.27Å; D7-Q11 PolarHBondContact O-N 3.31Å; D7-Q11 VanDerWaalsContact O-N 3.07Å
8	I	71	Confident	69.2	Low	55 Å²	55	93.7 Å²	93.7	28%	0.282	49%	0.486	S	S	.	.	H	α-helix	trans	-67.5	-40.6	179.2	-61.2	173.4	0	0	0	110.6	S6 Q11 A12 L74	S6-I8 VanDerWaalsContact C-N 3.29Å; S6-I8 PolarHBondContact O-N 3.08Å; I8-Q11 PolarHBondContact O-N 3.32Å; I8-A12 WeakPolarHBondContact O-CB 3.36Å; I8-A12 PolarHBondContact O-N 3.35Å; I8-L74 HydrophobicContact CG2-CD1 3.9Å
9	I	76.2	Confident	69.7	Low	67 Å²	67	88.7 Å²	88.7	34%	0.344	46%	0.461	S	S	.	.	H	α-helix	trans	-67.4	-39.6	177.8	-66.3	168.3	0	0	0	110.5	S5 S6 A12 R13 I67	S5-I9 WeakPolarHBondContact O-CD1 3.49Å; S5-I9 WeakPolarHBondContact O-CG1 3.45Å; S6-I9 PolarHBondContact O-N 2.73Å; I9-A12 PolarHBondContact O-N 2.85Å; I9-R13 VanDerWaalsContact O-CG 3.32Å; I9-R13 WeakPolarHBondContact O-CG 3.4Å; I9-R13 PolarHBondContact O-N 2.87Å; I9-I67 HydrophobicContact CG1-CG2 4.13Å; I9-I67 HydrophobicContact CG2-CD1 4.41Å; I9-I67 HydrophobicContact CG2-CG2 4.37Å
10	E	79	Confident	70.3	Confident	106 Å²	106	85.2 Å²	85.2	50%	0.495	44%	0.443	S	S	.	.	H	α-helix	trans	-63.9	-43.7	177.6	-158.7	66.4	-158.8	0	0	111.5	S6 D7 R13 Q14	S6-E10 PolarHBondContact O-N 3.45Å; S6-E10 VanDerWaalsContact O-N 3.15Å; D7-E10 PolarHBondContact O-N 2.93Å; E10-R13 PolarHBondContact O-N 3.1Å; E10-Q14 WeakPolarHBondContact O-CG 3.34Å; E10-Q14 PolarHBondContact O-N 2.77Å; E10-Q14 VanDerWaalsContact O-N 3.08Å
11	Q	76.7	Confident	70.5	Confident	106 Å²	106	84.8 Å²	84.8	50%	0.495	44%	0.444	S	S	.	.	H	α-helix	trans	-65	-41.5	175.6	-70.8	178.8	33.6	0	0	112.6	D7 I8 R13 Q14 L15	D7-Q11 WeakPolarHBondContact O-CG 3.27Å; D7-Q11 PolarHBondContact O-N 3.31Å; D7-Q11 VanDerWaalsContact O-N 3.07Å; I8-Q11 PolarHBondContact O-N 3.32Å; Q11-R13 VanDerWaalsContact C-N 3.34Å; Q11-R13 PolarHBondContact O-N 3.28Å; Q11-Q14 PolarHBondContact O-N 3.06Å; Q11-L15 PolarHBondContact O-N 3.33Å
12	A	77.3	Confident	72	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.008	42%	0.424	C	S	.	.	H	α-helix	trans	-60.8	-42.2	175.8	0	0	0	0	0	111.8	I8 I9 L15 F16 F66 I67 F70	I8-A12 WeakPolarHBondContact O-CB 3.36Å; I8-A12 PolarHBondContact O-N 3.35Å; I9-A12 PolarHBondContact O-N 2.85Å; A12-L15 PolarHBondContact O-N 3.44Å; A12-F16 PolarHBondContact O-N 3.05Å; A12-F66 HydrophobicContact CB-CD1 4.33Å; A12-F66 HydrophobicContact CB-CE1 4.26Å; A12-F66 WeakPolarHBondContact O-CE1 3.5Å; A12-I67 HydrophobicContact CB-CG1 3.98Å; A12-F70 HydrophobicContact CB-CB 4.27Å; A12-F70 HydrophobicContact CB-CD1 3.73Å; A12-F70 HydrophobicContact CB-CE1 4.36Å; A12-F70 HydrophobicContact CB-CG 4.16Å
13	R	81.3	Confident	73.4	Confident	109 Å²	109	80.2 Å²	80.2	41%	0.411	42%	0.424	S	S	.	.	H	α-helix	trans	-61.2	-44.5	175	-73.7	168.7	178.4	-92	-7.2	112.3	I9 E10 Q11 L15 F16 M17 L63 I67	I9-R13 VanDerWaalsContact O-CG 3.32Å; I9-R13 WeakPolarHBondContact O-CG 3.4Å; I9-R13 PolarHBondContact O-N 2.87Å; E10-R13 PolarHBondContact O-N 3.1Å; Q11-R13 VanDerWaalsContact C-N 3.34Å; Q11-R13 PolarHBondContact O-N 3.28Å; R13-L15 PolarHBondContact O-N 2.88Å; R13-F16 PolarHBondContact O-N 3.41Å; R13-M17 WeakPolarHBondContact O-CG 3.46Å; R13-M17 PolarHBondContact O-N 2.79Å; R13-L63 HydrophobicContact CG-CD1 4.33Å; R13-I67 HydrophobicContact CG-CD1 3.94Å
14	Q	80.6	Confident	74.7	Confident	120 Å²	120	75.8 Å²	75.8	56%	0.561	40%	0.404	S	S	*	.	H	α-helix	trans	-63.4	-38.7	178.1	-71	179.2	25.9	0	0	112.7	E10 Q11 H18	E10-Q14 WeakPolarHBondContact O-CG 3.34Å; E10-Q14 PolarHBondContact O-N 2.77Å; E10-Q14 VanDerWaalsContact O-N 3.08Å; Q11-Q14 PolarHBondContact O-N 3.06Å; Q14-H18 PolarHBondContact O-N 2.95Å; Q14-H18 VanDerWaalsContact O-N 3.15Å
15	L	77.1	Confident	76.3	Confident	23 Å²	23	73.4 Å²	73.4	12%	0.12	40%	0.395	C	S	.	.	H	α-helix	trans	-68.4	-41.6	175.6	-71.2	171.9	0	0	0	111.9	Q11 A12 R13 H18 C19 L35 F66 F70	Q11-L15 PolarHBondContact O-N 3.33Å; A12-L15 PolarHBondContact O-N 3.44Å; R13-L15 PolarHBondContact O-N 2.88Å; L15-H18 WeakPolarHBondContact O-CB 3.24Å; L15-H18 PolarHBondContact O-N 3.49Å; L15-H18 VanDerWaalsContact O-N 3.16Å; L15-C19 PolarHBondContact O-N 2.84Å; L15-C19 PolarHBondContact O-SG 2.9Å; L15-L35 HydrophobicContact CB-CD2 4.3Å; L15-L35 HydrophobicContact CD2-CD2 3.94Å; L15-F66 HydrophobicContact CB-CE1 4.15Å; L15-F66 HydrophobicContact CB-CZ 4.16Å; L15-F70 HydrophobicContact CD1-CE1 4.15Å; L15-F70 HydrophobicContact CD1-CE2 3.62Å; L15-F70 HydrophobicContact CD1-CZ 3.3Å
16	F	81.7	Confident	77.2	Confident	10 Å²	10	74 Å²	74	4%	0.044	39%	0.387	C	S	.	.	H	α-helix	trans	-58.9	-49.6	175.9	-169	-84.2	0	0	0	111.6	A12 R13 H18 C19 D20 L27 L61 L63 F66	A12-F16 PolarHBondContact O-N 3.05Å; R13-F16 PolarHBondContact O-N 3.41Å; F16-H18 PolarHBondContact O-N 3.45Å; F16-C19 PolarHBondContact O-N 2.82Å; F16-D20 HydrophobicContact CE1-CB 4.33Å; F16-D20 PolarHBondContact O-N 3.05Å; F16-L27 HydrophobicContact CD2-CD1 3.61Å; F16-L27 HydrophobicContact CD2-CG 3.89Å; F16-L27 HydrophobicContact CE2-CD1 3.84Å; F16-L27 HydrophobicContact CE2-CG 3.62Å; F16-L27 HydrophobicContact CG-CD1 4.24Å; F16-L27 HydrophobicContact CG-CG 4.5Å; F16-L27 HydrophobicContact CZ-CG 4Å; F16-L61 WeakPolarHBondContact CE2-O 3.33Å; F16-L63 HydrophobicContact CB-CD1 3.71Å; F16-L63 HydrophobicContact CD1-CB 4.41Å; F16-L63 HydrophobicContact CD1-CD1 3.79Å; F16-L63 HydrophobicContact CD2-CB 4.41Å; F16-L63 HydrophobicContact CD2-CD1 3.93Å; F16-L63 HydrophobicContact CE1-CB 4.16Å; F16-L63 HydrophobicContact CE1-CD1 4.39Å; F16-L63 VanDerWaalsContact CE2-CA 3.48Å; F16-L63 HydrophobicContact CE2-CB 4.15Å; F16-L63 HydrophobicContact CG-CD1 3.52Å; F16-L63 HydrophobicContact CZ-CB 4.02Å; F16-F66 HydrophobicContact CB-CD1 4.21Å; F16-F66 HydrophobicContact CB-CE1 4.49Å; F16-F66 HydrophobicContact CD2-CB 3.75Å; F16-F66 HydrophobicContact CD2-CD1 4.18Å; F16-F66 HydrophobicContact CD2-CD2 4.47Å; F16-F66 AromaticContact CD2-CG 3.88Å; F16-F66 HydrophobicContact CD2-CG 3.88Å; F16-F66 HydrophobicContact CE2-CB 4.17Å
17	M	80	Confident	77.7	Confident	149 Å²	149	70.3 Å²	70.3	73%	0.734	36%	0.361	S	S	*	.	H	α-helix	trans	-62.6	-24.8	176.6	-71.3	-176.6	68.7	0	0	113.8	R13 C19	R13-M17 WeakPolarHBondContact O-CG 3.46Å; R13-M17 PolarHBondContact O-N 2.79Å; M17-C19 VanDerWaalsContact C-N 3.34Å
18	H	78.3	Confident	78.1	Confident	79 Å²	79	67.6 Å²	67.6	37%	0.366	35%	0.348	S	S	.	.	H	α-helix	trans	-75.6	-26.8	175.7	-165	41.7	0	0	0	112.6	Q14 L15 F16 R38	Q14-H18 PolarHBondContact O-N 2.95Å; Q14-H18 VanDerWaalsContact O-N 3.15Å; L15-H18 WeakPolarHBondContact O-CB 3.24Å; L15-H18 PolarHBondContact O-N 3.49Å; L15-H18 VanDerWaalsContact O-N 3.16Å; F16-H18 PolarHBondContact O-N 3.45Å; H18-R38 PolarHBondContact CD2-NE 2.99Å; H18-R38 PolarHBondContact NE2-NE 3.41Å
19	C	78.3	Confident	78.5	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-90.3	-36.4	-178.2	-56.3	0	0	0	0	112	L15 F16 M17 T21 L27 R34 L35	L15-C19 PolarHBondContact O-N 2.84Å; L15-C19 PolarHBondContact O-SG 2.9Å; F16-C19 PolarHBondContact O-N 2.82Å; M17-C19 VanDerWaalsContact C-N 3.34Å; C19-T21 VanDerWaalsContact C-N 3.29Å; C19-T21 PolarHBondContact O-N 3.3Å; C19-L27 HydrophobicContact CB-CD1 3.78Å; C19-L27 HydrophobicContact CB-CD2 3.41Å; C19-L27 VanDerWaalsContact CB-CD2 3.41Å; C19-L27 HydrophobicContact CB-CG 4.24Å; C19-R34 PolarHBondContact O-NH1 3.36Å; C19-L35 WeakPolarHBondContact SG-CD2 3.32Å; C19-L35 WeakPolarHBondContact SG-CG 3.35Å
20	D	81.8	Confident	78.6	Confident	18 Å²	18	75 Å²	75	10%	0.096	38%	0.375	C	S	.	.			trans	-80.5	68.1	177.8	-170.6	12	0	0	0	111.9	F16 D22 N23 C24 G25 L27	F16-D20 HydrophobicContact CE1-CB 4.33Å; F16-D20 PolarHBondContact O-N 3.05Å; D20-D22 PolarHBondContact O-N 2.88Å; D20-D22 VanDerWaalsContact O-N 3.17Å; D20-N23 PolarHBondContact O-N 2.88Å; D20-N23 WeakPolarHBondContact OD1-CA 3.34Å; D20-N23 PolarHBondContact OD1-N 3.23Å; D20-N23 WeakPolarHBondContact OD2-CA 3.47Å; D20-C24 PolarHBondContact OD1-N 3.43Å; D20-C24 PolarHBondContact OD2-N 2.85Å; D20-C24 VanDerWaalsContact OD2-N 3.15Å; D20-G25 WeakPolarHBondContact OD2-CA 3.44Å; D20-G25 PolarHBondContact OD2-N 3.38Å; D20-L27 HydrophobicContact CB-CD2 3.77Å
21	T	74.7	Confident	78.5	Confident	77 Å²	77	70.5 Å²	70.5	47%	0.472	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.1	175.4	57.3	0	0	0	0	113.6	C19 R34	C19-T21 VanDerWaalsContact C-N 3.29Å; C19-T21 PolarHBondContact O-N 3.3Å; T21-R34 VanDerWaalsContact OG1-CZ 3.25Å; T21-R34 PolarHBondContact OG1-NH1 2.99Å; T21-R34 PolarHBondContact OG1-NH2 2.95Å; T21-R34 VanDerWaalsContact OG1-NH2 3.09Å
22	D	74.2	Confident	78.5	Confident	114 Å²	114	65.5 Å²	65.5	61%	0.61	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	2	-167	-56.1	-11.7	0	0	0	110.9	D20 C24	D20-D22 PolarHBondContact O-N 2.88Å; D20-D22 VanDerWaalsContact O-N 3.17Å; D22-C24 PolarHBondContact O-N 2.73Å
23	N	73	Confident	78.4	Confident	145 Å²	145	68.4 Å²	68.4	78%	0.775	35%	0.348	S	S	*	.			trans	46.6	38.8	-173.3	-67.3	-61.2	0	0	0	112.8	D20 G25	D20-N23 PolarHBondContact O-N 2.88Å; D20-N23 WeakPolarHBondContact OD1-CA 3.34Å; D20-N23 PolarHBondContact OD1-N 3.23Å; D20-N23 WeakPolarHBondContact OD2-CA 3.47Å; N23-G25 VanDerWaalsContact C-N 3.27Å; N23-G25 PolarHBondContact O-N 2.89Å
24	C	74	Confident	78	Confident	58 Å²	58	67.7 Å²	67.7	39%	0.392	35%	0.346	S	S	.	.			trans	-75.1	-18.5	-179.5	-75.6	0	0	0	0	112.3	D20 D22 Y26	D20-C24 PolarHBondContact OD1-N 3.43Å; D20-C24 PolarHBondContact OD2-N 2.85Å; D20-C24 VanDerWaalsContact OD2-N 3.15Å; D22-C24 PolarHBondContact O-N 2.73Å; C24-Y26 HydrophobicContact CB-CD1 4.03Å; C24-Y26 HydrophobicContact CB-CD2 4.49Å; C24-Y26 HydrophobicContact CB-CE1 3.7Å; C24-Y26 HydrophobicContact CB-CE2 4.19Å; C24-Y26 HydrophobicContact CB-CG 4.42Å; C24-Y26 WeakPolarHBondContact O-CD1 3.44Å; C24-Y26 WeakPolarHBondContact O-CE1 3.33Å; C24-Y26 PolarHBondContact O-N 3.19Å
25	G	78.5	Confident	77.4	Confident	43 Å²	43	62.2 Å²	62.2	44%	0.443	32%	0.32	S	S	.	.	S	Bend	trans	79.2	3.2	-176.7	0	0	0	0	0	113.8	D20 N23	D20-G25 WeakPolarHBondContact OD2-CA 3.44Å; D20-G25 PolarHBondContact OD2-N 3.38Å; N23-G25 VanDerWaalsContact C-N 3.27Å; N23-G25 PolarHBondContact O-N 2.89Å
26	Y	82.4	Confident	76.8	Confident	86 Å²	86	63.8 Å²	63.8	34%	0.337	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	148	177.6	58.4	-93.9	0	0	0	111.2	C24 T28 Q60 L61	C24-Y26 HydrophobicContact CB-CD1 4.03Å; C24-Y26 HydrophobicContact CB-CD2 4.49Å; C24-Y26 HydrophobicContact CB-CE1 3.7Å; C24-Y26 HydrophobicContact CB-CE2 4.19Å; C24-Y26 HydrophobicContact CB-CG 4.42Å; C24-Y26 WeakPolarHBondContact O-CD1 3.44Å; C24-Y26 WeakPolarHBondContact O-CE1 3.33Å; C24-Y26 PolarHBondContact O-N 3.19Å; Y26-T28 HydrophobicContact CD2-CG2 4.14Å; Y26-T28 HydrophobicContact CE2-CG2 3.96Å; Y26-Q60 HydrophobicContact CD2-CB 3.86Å; Y26-Q60 HydrophobicContact CD2-CG 3.67Å; Y26-Q60 HydrophobicContact CE2-CG 4.02Å; Y26-Q60 HydrophobicContact CG-CB 4.09Å; Y26-Q60 HydrophobicContact CG-CG 4.27Å; Y26-L61 CarbonylContact C-O 3.58Å; Y26-L61 VanDerWaalsContact CA-O 3.24Å; Y26-L61 WeakPolarHBondContact CA-O 3.47Å
27	L	81.4	Confident	76.1	Confident	0 Å²	0	70 Å²	70	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.6	175.2	-58.5	-179.4	0	0	0	110.5	F16 C19 D20 A31 F50 L61 F66	F16-L27 HydrophobicContact CD2-CD1 3.61Å; F16-L27 HydrophobicContact CD2-CG 3.89Å; F16-L27 HydrophobicContact CE2-CD1 3.84Å; F16-L27 HydrophobicContact CE2-CG 3.62Å; F16-L27 HydrophobicContact CG-CD1 4.24Å; F16-L27 HydrophobicContact CG-CG 4.5Å; F16-L27 HydrophobicContact CZ-CG 4Å; C19-L27 HydrophobicContact CB-CD1 3.78Å; C19-L27 HydrophobicContact CB-CD2 3.41Å; C19-L27 VanDerWaalsContact CB-CD2 3.41Å; C19-L27 HydrophobicContact CB-CG 4.24Å; D20-L27 HydrophobicContact CB-CD2 3.77Å; L27-A31 HydrophobicContact CB-CB 4.39Å; L27-A31 HydrophobicContact CD2-CB 4.08Å; L27-F50 WeakPolarHBondContact O-CE2 3.34Å; L27-L61 HydrophobicContact CB-CB 4.11Å; L27-L61 PolarHBondContact N-O 3.12Å; L27-L61 PolarHBondContact O-N 2.99Å; L27-F66 HydrophobicContact CD1-CD2 4.31Å; L27-F66 HydrophobicContact CD1-CE2 4.49Å
28	T	82.2	Confident	75.4	Confident	53 Å²	53	70 Å²	70	33%	0.325	36%	0.359	S	S	.	.			trans	-79.2	165.2	165.5	64.8	0	0	0	0	110.2	Y26 Q30 A31 L32	Y26-T28 HydrophobicContact CD2-CG2 4.14Å; Y26-T28 HydrophobicContact CE2-CG2 3.96Å; T28-Q30 PolarHBondContact O-N 3.44Å; T28-Q30 VanDerWaalsContact O-N 3.13Å; T28-A31 WeakPolarHBondContact O-CB 3.33Å; T28-A31 PolarHBondContact O-N 2.92Å; T28-A31 PolarHBondContact OG1-N 3.32Å; T28-L32 PolarHBondContact O-N 2.88Å
29	R	79.6	Confident	74.6	Confident	112 Å²	112	68.5 Å²	68.5	42%	0.423	35%	0.353	S	S	.	.	H	α-helix	trans	-51.8	-37.2	175.7	-66.4	-178	-174.1	-121.5	-4	113.1	L32 D33 D47 F50 N51	R29-L32 PolarHBondContact O-N 3.48Å; R29-D33 PolarHBondContact O-N 3.5Å; R29-D47 IonicContact CZ-OD1 3.28Å; R29-D47 IonicContact NH1-OD1 3.67Å; R29-D47 PolarHBondContact NH1-OD1 2.91Å; R29-F50 HydrophobicContact CB-CD2 4.3Å; R29-F50 HydrophobicContact CB-CE2 4.33Å; R29-F50 HydrophobicContact CG-CD1 3.83Å; R29-F50 HydrophobicContact CG-CD2 3.7Å; R29-F50 HydrophobicContact CG-CE1 3.85Å; R29-F50 HydrophobicContact CG-CE2 3.75Å; R29-F50 HydrophobicContact CG-CG 3.79Å; R29-F50 HydrophobicContact CG-CZ 3.84Å; R29-F50 VanDerWaalsContact N-CE2 3.32Å; R29-N51 PolarHBondContact NH1-OD1 2.97Å; R29-N51 PolarHBondContact NH2-OD1 2.92Å
30	Q	78.1	Confident	74	Confident	166 Å²	166	74.4 Å²	74.4	78%	0.776	39%	0.391	S	S	*	.	H	α-helix	trans	-71.8	-31.5	177.9	-64	178.6	1.7	0	0	112.9	T28 D33	T28-Q30 PolarHBondContact O-N 3.44Å; T28-Q30 VanDerWaalsContact O-N 3.13Å; Q30-D33 WeakPolarHBondContact O-CB 3.36Å
31	A	78	Confident	73.1	Confident	11 Å²	11	74.5 Å²	74.5	9%	0.091	39%	0.392	C	S	.	.	H	α-helix	trans	-71.9	-36.1	173.4	0	0	0	0	0	111.4	L27 T28 D33 R34	L27-A31 HydrophobicContact CB-CB 4.39Å; L27-A31 HydrophobicContact CD2-CB 4.08Å; T28-A31 WeakPolarHBondContact O-CB 3.33Å; T28-A31 PolarHBondContact O-N 2.92Å; T28-A31 PolarHBondContact OG1-N 3.32Å; A31-D33 VanDerWaalsContact C-N 3.29Å; A31-D33 PolarHBondContact O-N 3.18Å; A31-R34 WeakPolarHBondContact O-CB 3.45Å; A31-R34 PolarHBondContact O-N 2.9Å
32	L	75.3	Confident	73	Confident	2 Å²	2	74.4 Å²	74.4	1%	0.01	39%	0.391	C	S	.	.	H	α-helix	trans	-71.4	-24	179.7	-148.5	142.8	0	0	0	112.5	T28 R29 R34 L35 L46 F50 L61	T28-L32 PolarHBondContact O-N 2.88Å; R29-L32 PolarHBondContact O-N 3.48Å; L32-R34 PolarHBondContact O-N 3.34Å; L32-L35 HydrophobicContact CD2-CD1 3.83Å; L32-L35 HydrophobicContact CG-CD1 3.85Å; L32-L35 WeakPolarHBondContact O-CB 3.3Å; L32-L35 PolarHBondContact O-N 3.36Å; L32-L46 HydrophobicContact CD2-CB 4.06Å; L32-L46 HydrophobicContact CD2-CD2 3.91Å; L32-L46 HydrophobicContact CD2-CG 4.49Å; L32-F50 HydrophobicContact CB-CD2 4.21Å; L32-F50 HydrophobicContact CD1-CD2 3.77Å; L32-F50 HydrophobicContact CD1-CE2 4.35Å; L32-F50 HydrophobicContact CG-CD2 4.49Å; L32-L61 HydrophobicContact CD1-CD1 3.45Å; L32-L61 VanDerWaalsContact CD1-CD1 3.45Å
33	D	75	Confident	72.7	Confident	61 Å²	61	74.8 Å²	74.8	33%	0.326	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-56.5	-31.3	172	-153.5	31.3	0	0	0	112.2	R29 Q30 A31 L35 S36 M43	R29-D33 PolarHBondContact O-N 3.5Å; Q30-D33 WeakPolarHBondContact O-CB 3.36Å; A31-D33 VanDerWaalsContact C-N 3.29Å; A31-D33 PolarHBondContact O-N 3.18Å; D33-L35 PolarHBondContact O-N 2.86Å; D33-S36 VanDerWaalsContact O-CB 3.3Å; D33-S36 WeakPolarHBondContact O-CB 3.46Å; D33-S36 PolarHBondContact O-N 3.46Å; D33-S36 PolarHBondContact O-OG 3.35Å; D33-M43 WeakPolarHBondContact OD1-CE 3.38Å
34	R	74.3	Confident	72.7	Confident	94 Å²	94	72 Å²	72	36%	0.355	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-63.3	-11.7	176	-59.1	171.5	177.6	156.3	-10.5	114	C19 T21 A31 L32 S36	C19-R34 PolarHBondContact O-NH1 3.36Å; T21-R34 VanDerWaalsContact OG1-CZ 3.25Å; T21-R34 PolarHBondContact OG1-NH1 2.99Å; T21-R34 PolarHBondContact OG1-NH2 2.95Å; T21-R34 VanDerWaalsContact OG1-NH2 3.09Å; A31-R34 WeakPolarHBondContact O-CB 3.45Å; A31-R34 PolarHBondContact O-N 2.9Å; L32-R34 PolarHBondContact O-N 3.34Å; R34-S36 VanDerWaalsContact C-N 3.26Å
35	L	68.3	Low	72.5	Confident	5 Å²	5	73.6 Å²	73.6	3%	0.026	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-72.9	-16	170.4	-70	169.4	0	0	0	113	L15 C19 L32 D33 D37 R38 L39 L46 F66	L15-L35 HydrophobicContact CB-CD2 4.3Å; L15-L35 HydrophobicContact CD2-CD2 3.94Å; C19-L35 WeakPolarHBondContact SG-CD2 3.32Å; C19-L35 WeakPolarHBondContact SG-CG 3.35Å; L32-L35 HydrophobicContact CD2-CD1 3.83Å; L32-L35 HydrophobicContact CG-CD1 3.85Å; L32-L35 WeakPolarHBondContact O-CB 3.3Å; L32-L35 PolarHBondContact O-N 3.36Å; D33-L35 PolarHBondContact O-N 2.86Å; L35-D37 PolarHBondContact O-N 3.24Å; L35-D37 VanDerWaalsContact O-N 3.13Å; L35-R38 PolarHBondContact O-N 2.93Å; L35-R38 VanDerWaalsContact O-N 3.11Å; L35-L39 HydrophobicContact CB-CD1 4.48Å; L35-L39 HydrophobicContact CD2-CD1 4.28Å; L35-L39 PolarHBondContact O-N 3.28Å; L35-L46 HydrophobicContact CB-CD2 4.13Å; L35-F66 HydrophobicContact CD1-CE2 4.35Å
36	S	64	Low	72.3	Confident	56 Å²	56	72 Å²	72	39%	0.392	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-54.3	-30.6	174.7	63.6	0	0	0	0	112.9	D33 R34	D33-S36 VanDerWaalsContact O-CB 3.3Å; D33-S36 WeakPolarHBondContact O-CB 3.46Å; D33-S36 PolarHBondContact O-N 3.46Å; D33-S36 PolarHBondContact O-OG 3.35Å; R34-S36 VanDerWaalsContact C-N 3.26Å
37	D	67.5	Low	71.9	Confident	140 Å²	140	71.2 Å²	71.2	75%	0.749	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-80.6	-17.1	-174.7	-65.8	1.1	0	0	0	112.8	L35	L35-D37 PolarHBondContact O-N 3.24Å; L35-D37 VanDerWaalsContact O-N 3.13Å
38	R	64.7	Low	71.7	Confident	151 Å²	151	77.7 Å²	77.7	57%	0.57	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-23.7	-179.9	-71.7	-160.5	-177.4	-150.4	1.6	114.8	H18 L35	H18-R38 PolarHBondContact CD2-NE 2.99Å; H18-R38 PolarHBondContact NE2-NE 3.41Å; L35-R38 PolarHBondContact O-N 2.93Å; L35-R38 VanDerWaalsContact O-N 3.11Å
39	L	62.1	Low	71.3	Confident	47 Å²	47	76 Å²	76	25%	0.246	39%	0.385	C	S	.	.	S	Bend	trans	-121.1	132	-179.3	-70.6	169.1	0	0	0	109.4	L35 L41	L35-L39 HydrophobicContact CB-CD1 4.48Å; L35-L39 HydrophobicContact CD2-CD1 4.28Å; L35-L39 PolarHBondContact O-N 3.28Å; L39-L41 HydrophobicContact CB-CD1 3.88Å; L39-L41 HydrophobicContact CB-CG 4.1Å; L39-L41 HydrophobicContact CD1-CD1 4.1Å; L39-L41 PolarHBondContact O-N 2.95Å
40	P	64.3	Low	71.2	Confident	123 Å²	123	70.7 Å²	70.7	80%	0.799	37%	0.365	S	S	*	.			trans	-74.1	73.2	175.8	32	-35.5	0	0	0	109.9
41	L	63.8	Low	71.3	Confident	21 Å²	21	67 Å²	67	11%	0.11	35%	0.351	C	S	.	.			trans	-125.7	128.4	-179.9	-69.5	172.3	0	0	0	108.5	L39 Q45 L46	L39-L41 HydrophobicContact CB-CD1 3.88Å; L39-L41 HydrophobicContact CB-CG 4.1Å; L39-L41 HydrophobicContact CD1-CD1 4.1Å; L39-L41 PolarHBondContact O-N 2.95Å; L41-Q45 HydrophobicContact CB-CB 4.39Å; L41-Q45 HydrophobicContact CD2-CB 4.02Å; L41-L46 HydrophobicContact CB-CD2 3.74Å; L41-L46 HydrophobicContact CB-CG 3.98Å; L41-L46 HydrophobicContact CD1-CD2 3.61Å; L41-L46 HydrophobicContact CG-CD2 4.32Å
42	T	72.6	Confident	71.4	Confident	74 Å²	74	71.3 Å²	71.3	45%	0.454	37%	0.372	S	S	.	.			trans	-68.2	154.3	170.9	56.4	0	0	0	0	110.5	S44 Q45 L46	T42-S44 PolarHBondContact O-N 2.79Å; T42-S44 VanDerWaalsContact O-N 3.14Å; T42-S44 PolarHBondContact OG1-OG 3.47Å; T42-Q45 WeakPolarHBondContact O-CA 3.49Å; T42-Q45 WeakPolarHBondContact O-CB 3.41Å; T42-Q45 PolarHBondContact O-N 2.71Å; T42-Q45 VanDerWaalsContact OG1-CD 3.25Å; T42-Q45 VanDerWaalsContact OG1-CG 3.29Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.32Å; T42-Q45 PolarHBondContact OG1-N 3.39Å; T42-Q45 PolarHBondContact OG1-OE1 2.87Å; T42-L46 PolarHBondContact O-N 2.94Å
43	M	68.3	Low	71.5	Confident	123 Å²	123	71.6 Å²	71.6	61%	0.606	37%	0.373	S	S	*	.	H	α-helix	trans	-51.8	-39.4	175	-70	-170.5	88.8	0	0	112.1	D33 Q45 L46 D47	D33-M43 WeakPolarHBondContact OD1-CE 3.38Å; M43-Q45 VanDerWaalsContact C-N 3.29Å; M43-Q45 PolarHBondContact O-N 2.96Å; M43-L46 PolarHBondContact O-N 3.36Å; M43-L46 VanDerWaalsContact O-N 3.16Å; M43-D47 PolarHBondContact O-N 2.68Å
44	S	72	Confident	71.9	Confident	87 Å²	87	69.1 Å²	69.1	61%	0.608	36%	0.36	S	S	*	.	H	α-helix	trans	-60.1	-33.3	174.3	37.9	0	0	0	0	114.1	T42 F48	T42-S44 PolarHBondContact O-N 2.79Å; T42-S44 VanDerWaalsContact O-N 3.14Å; T42-S44 PolarHBondContact OG1-OG 3.47Å; S44-F48 WeakPolarHBondContact O-CB 3.42Å; S44-F48 PolarHBondContact O-N 2.9Å; S44-F48 VanDerWaalsContact O-N 3.13Å
45	Q	71.1	Confident	71.9	Confident	91 Å²	91	70.8 Å²	70.8	43%	0.425	37%	0.37	S	S	.	.	H	α-helix	trans	-78.6	-35	174.3	-71.7	162.4	-40.1	0	0	111.6	L41 T42 M43 F48 V49	L41-Q45 HydrophobicContact CB-CB 4.39Å; L41-Q45 HydrophobicContact CD2-CB 4.02Å; T42-Q45 WeakPolarHBondContact O-CA 3.49Å; T42-Q45 WeakPolarHBondContact O-CB 3.41Å; T42-Q45 PolarHBondContact O-N 2.71Å; T42-Q45 VanDerWaalsContact OG1-CD 3.25Å; T42-Q45 VanDerWaalsContact OG1-CG 3.29Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.32Å; T42-Q45 PolarHBondContact OG1-N 3.39Å; T42-Q45 PolarHBondContact OG1-OE1 2.87Å; M43-Q45 VanDerWaalsContact C-N 3.29Å; M43-Q45 PolarHBondContact O-N 2.96Å; Q45-F48 PolarHBondContact O-N 3.39Å; Q45-V49 WeakPolarHBondContact O-CB 3.42Å; Q45-V49 VanDerWaalsContact O-CG2 3.27Å; Q45-V49 WeakPolarHBondContact O-CG2 3.4Å; Q45-V49 PolarHBondContact O-N 3.34Å
46	L	72.5	Confident	72.6	Confident	8 Å²	8	75.3 Å²	75.3	4%	0.042	39%	0.394	C	S	.	.	H	α-helix	trans	-66.8	-41.7	173.9	-64.3	176.3	0	0	0	111.5	L32 L35 L41 T42 M43 V49 F50	L32-L46 HydrophobicContact CD2-CB 4.06Å; L32-L46 HydrophobicContact CD2-CD2 3.91Å; L32-L46 HydrophobicContact CD2-CG 4.49Å; L35-L46 HydrophobicContact CB-CD2 4.13Å; L41-L46 HydrophobicContact CB-CD2 3.74Å; L41-L46 HydrophobicContact CB-CG 3.98Å; L41-L46 HydrophobicContact CD1-CD2 3.61Å; L41-L46 HydrophobicContact CG-CD2 4.32Å; T42-L46 PolarHBondContact O-N 2.94Å; M43-L46 PolarHBondContact O-N 3.36Å; M43-L46 VanDerWaalsContact O-N 3.16Å; L46-V49 PolarHBondContact O-N 2.93Å; L46-F50 WeakPolarHBondContact O-CB 3.43Å; L46-F50 PolarHBondContact O-N 3.38Å
47	D	75.6	Confident	73.2	Confident	70 Å²	70	81 Å²	81	37%	0.374	41%	0.412	S	S	.	.	H	α-helix	trans	-63.8	-39.7	172.4	-108.9	-34.6	0	0	0	111.9	R29 M43 F50 N51	R29-D47 IonicContact CZ-OD1 3.28Å; R29-D47 IonicContact NH1-OD1 3.67Å; R29-D47 PolarHBondContact NH1-OD1 2.91Å; M43-D47 PolarHBondContact O-N 2.68Å; D47-F50 PolarHBondContact O-N 2.71Å; D47-N51 VanDerWaalsContact O-CG 3.23Å; D47-N51 PolarHBondContact O-N 3.43Å; D47-N51 PolarHBondContact O-ND2 3.39Å
48	F	75.9	Confident	74	Confident	137 Å²	137	77.5 Å²	77.5	60%	0.601	39%	0.393	S	S	*	.	H	α-helix	trans	-64.1	-46	175.2	-175.8	-93.8	0	0	0	111.6	S44 Q45 F50 N51 L52	S44-F48 WeakPolarHBondContact O-CB 3.42Å; S44-F48 PolarHBondContact O-N 2.9Å; S44-F48 VanDerWaalsContact O-N 3.13Å; Q45-F48 PolarHBondContact O-N 3.39Å; F48-F50 VanDerWaalsContact C-N 3.34Å; F48-F50 PolarHBondContact O-N 2.98Å; F48-N51 PolarHBondContact O-N 3.03Å; F48-L52 HydrophobicContact CE1-CD2 4.45Å; F48-L52 WeakPolarHBondContact O-CB 3.42Å; F48-L52 PolarHBondContact O-N 3.47Å
49	V	74	Confident	74.7	Confident	17 Å²	17	71.8 Å²	71.8	10%	0.103	38%	0.381	C	S	.	.	H	α-helix	trans	-60.9	-43.3	173.7	168.8	0	0	0	0	110.4	Q45 L46 N51 L52 L53 F73	Q45-V49 WeakPolarHBondContact O-CB 3.42Å; Q45-V49 VanDerWaalsContact O-CG2 3.27Å; Q45-V49 WeakPolarHBondContact O-CG2 3.4Å; Q45-V49 PolarHBondContact O-N 3.34Å; L46-V49 PolarHBondContact O-N 2.93Å; V49-N51 PolarHBondContact O-N 2.98Å; V49-L52 PolarHBondContact O-N 3.44Å; V49-L52 VanDerWaalsContact O-N 3.13Å; V49-L53 HydrophobicContact CG1-CD1 3.57Å; V49-L53 HydrophobicContact CG1-CG 4.03Å; V49-L53 VanDerWaalsContact O-CG 3.24Å; V49-L53 WeakPolarHBondContact O-CG 3.5Å; V49-L53 PolarHBondContact O-N 3.17Å; V49-F73 HydrophobicContact CG2-CD2 4.28Å; V49-F73 HydrophobicContact CG2-CE1 4.46Å; V49-F73 HydrophobicContact CG2-CE2 3.76Å; V49-F73 HydrophobicContact CG2-CZ 3.84Å
50	F	78.9	Confident	75.8	Confident	1 Å²	1	73.1 Å²	73.1	0%	0.004	39%	0.386	C	S	.	.	H	α-helix	trans	-56	-52.2	176.1	-165	-73.2	0	0	0	111.3	L27 R29 L32 L46 D47 F48 L52 L53 D54 G59 L61	L27-F50 WeakPolarHBondContact O-CE2 3.34Å; R29-F50 HydrophobicContact CB-CD2 4.3Å; R29-F50 HydrophobicContact CB-CE2 4.33Å; R29-F50 HydrophobicContact CG-CD1 3.83Å; R29-F50 HydrophobicContact CG-CD2 3.7Å; R29-F50 HydrophobicContact CG-CE1 3.85Å; R29-F50 HydrophobicContact CG-CE2 3.75Å; R29-F50 HydrophobicContact CG-CG 3.79Å; R29-F50 HydrophobicContact CG-CZ 3.84Å; R29-F50 VanDerWaalsContact N-CE2 3.32Å; L32-F50 HydrophobicContact CB-CD2 4.21Å; L32-F50 HydrophobicContact CD1-CD2 3.77Å; L32-F50 HydrophobicContact CD1-CE2 4.35Å; L32-F50 HydrophobicContact CG-CD2 4.49Å; L46-F50 WeakPolarHBondContact O-CB 3.43Å; L46-F50 PolarHBondContact O-N 3.38Å; D47-F50 PolarHBondContact O-N 2.71Å; F48-F50 VanDerWaalsContact C-N 3.34Å; F48-F50 PolarHBondContact O-N 2.98Å; F50-L52 PolarHBondContact O-N 2.87Å; F50-L53 PolarHBondContact O-N 3.48Å; F50-D54 HydrophobicContact CD1-CB 4.06Å; F50-D54 HydrophobicContact CE1-CB 3.87Å; F50-D54 WeakPolarHBondContact CE1-OD2 3.23Å; F50-D54 WeakPolarHBondContact O-CB 3.28Å; F50-D54 PolarHBondContact O-N 3.26Å; F50-G59 WeakPolarHBondContact CZ-O 3.49Å; F50-L61 HydrophobicContact CD2-CD1 3.66Å; F50-L61 HydrophobicContact CE2-CB 4.5Å; F50-L61 HydrophobicContact CE2-CD1 3.73Å; F50-L61 HydrophobicContact CE2-CG 4.14Å; F50-L61 HydrophobicContact CG-CD1 4.05Å; F50-L61 HydrophobicContact CZ-CD1 4.21Å; F50-L61 HydrophobicContact CZ-CG 4.2Å
51	N	79.6	Confident	76.6	Confident	89 Å²	89	67.3 Å²	67.3	48%	0.476	35%	0.348	S	S	.	.	H	α-helix	trans	-64.9	-21.7	179.4	-65.1	-44.2	0	0	0	114	R29 D47 F48 V49	R29-N51 PolarHBondContact NH1-OD1 2.97Å; R29-N51 PolarHBondContact NH2-OD1 2.92Å; D47-N51 VanDerWaalsContact O-CG 3.23Å; D47-N51 PolarHBondContact O-N 3.43Å; D47-N51 PolarHBondContact O-ND2 3.39Å; F48-N51 PolarHBondContact O-N 3.03Å; V49-N51 PolarHBondContact O-N 2.98Å
52	L	79.8	Confident	77.5	Confident	101 Å²	101	68.9 Å²	68.9	53%	0.529	36%	0.358	S	S	.	.	H	α-helix	trans	-85.3	-32.9	177.9	-172.3	67.9	0	0	0	112.2	F48 V49 F50	F48-L52 HydrophobicContact CE1-CD2 4.45Å; F48-L52 WeakPolarHBondContact O-CB 3.42Å; F48-L52 PolarHBondContact O-N 3.47Å; V49-L52 PolarHBondContact O-N 3.44Å; V49-L52 VanDerWaalsContact O-N 3.13Å; F50-L52 PolarHBondContact O-N 2.87Å
53	L	78	Confident	77.9	Confident	8 Å²	8	67.7 Å²	67.7	4%	0.042	35%	0.349	C	S	.	.	H	α-helix	trans	-84.4	-35.8	179.1	-61.2	177.2	0	0	0	112.5	V49 F50 K55 L61 F66 G69	V49-L53 HydrophobicContact CG1-CD1 3.57Å; V49-L53 HydrophobicContact CG1-CG 4.03Å; V49-L53 VanDerWaalsContact O-CG 3.24Å; V49-L53 WeakPolarHBondContact O-CG 3.5Å; V49-L53 PolarHBondContact O-N 3.17Å; F50-L53 PolarHBondContact O-N 3.48Å; L53-K55 VanDerWaalsContact C-N 3.31Å; L53-K55 PolarHBondContact O-N 2.84Å; L53-L61 HydrophobicContact CB-CD1 3.91Å; L53-L61 HydrophobicContact CB-CD2 3.31Å; L53-L61 HydrophobicContact CB-CG 4.23Å; L53-L61 HydrophobicContact CD1-CD1 4.03Å; L53-L61 HydrophobicContact CD1-CD2 4.44Å; L53-L61 HydrophobicContact CG-CD2 4.5Å; L53-F66 HydrophobicContact CD1-CD2 4.01Å; L53-F66 HydrophobicContact CD1-CE2 4.44Å; L53-G69 VanDerWaalsContact CD2-C 3.49Å
54	D	82.2	Confident	78.6	Confident	9 Å²	9	67.3 Å²	67.3	5%	0.048	35%	0.35	C	S	.	.			trans	-72.8	78.2	-179.8	-179.2	7.8	0	0	0	110.4	F50 K57 N58 G59	F50-D54 HydrophobicContact CD1-CB 4.06Å; F50-D54 HydrophobicContact CE1-CB 3.87Å; F50-D54 WeakPolarHBondContact CE1-OD2 3.23Å; F50-D54 WeakPolarHBondContact O-CB 3.28Å; F50-D54 PolarHBondContact O-N 3.26Å; D54-K57 PolarHBondContact O-N 2.78Å; D54-K57 WeakPolarHBondContact OD1-CA 3.49Å; D54-K57 PolarHBondContact OD1-N 3.48Å; D54-N58 PolarHBondContact OD1-N 2.91Å; D54-G59 WeakPolarHBondContact OD2-CA 3.39Å; D54-G59 PolarHBondContact OD2-N 2.91Å; D54-G59 VanDerWaalsContact OD2-N 3.08Å
55	K	75.5	Confident	79	Confident	128 Å²	128	64.5 Å²	64.5	56%	0.557	33%	0.327	S	S	*	.	S	Bend	trans	-72.4	-35.1	-170.8	-74.5	-178.6	-177.3	-178.3	0	112.8	L53	L53-K55 VanDerWaalsContact C-N 3.31Å; L53-K55 PolarHBondContact O-N 2.84Å
56	D	81.5	Confident	79.5	Confident	100 Å²	100	60.3 Å²	60.3	54%	0.535	31%	0.307	S	S	.	.	S	Bend	trans	-87	-9.7	178.1	77	-5.8	0	0	0	113	N58	D56-N58 VanDerWaalsContact C-N 3.3Å; D56-N58 WeakPolarHBondContact OD1-CB 3.29Å; D56-N58 PolarHBondContact OD1-N 3Å; D56-N58 PolarHBondContact OD1-ND2 3.21Å; D56-N58 PolarHBondContact OD1-OD1 3.04Å; D56-N58 PolarHBondContact OD2-ND2 3.37Å
57	K	77.1	Confident	79.9	Confident	176 Å²	176	61.2 Å²	61.2	77%	0.765	31%	0.312	S	S	*	.			trans	64.8	31.3	178.8	-56.7	179.6	-179.3	177.8	0	112.9	D54 G59	D54-K57 PolarHBondContact O-N 2.78Å; D54-K57 WeakPolarHBondContact OD1-CA 3.49Å; D54-K57 PolarHBondContact OD1-N 3.48Å; K57-G59 VanDerWaalsContact C-N 3.33Å
58	N	84.1	Confident	79.9	Confident	67 Å²	67	63.9 Å²	63.9	36%	0.358	32%	0.322	S	S	.	.	S	Bend	trans	-80.4	-11.3	-179.9	72.8	22.8	0	0	0	113.3	D54 D56 Q60	D54-N58 PolarHBondContact OD1-N 2.91Å; D56-N58 VanDerWaalsContact C-N 3.3Å; D56-N58 WeakPolarHBondContact OD1-CB 3.29Å; D56-N58 PolarHBondContact OD1-N 3Å; D56-N58 PolarHBondContact OD1-ND2 3.21Å; D56-N58 PolarHBondContact OD1-OD1 3.04Å; D56-N58 PolarHBondContact OD2-ND2 3.37Å; N58-Q60 VanDerWaalsContact OD1-CA 3.26Å; N58-Q60 WeakPolarHBondContact OD1-CA 3.42Å; N58-Q60 VanDerWaalsContact OD1-CB 3.28Å; N58-Q60 WeakPolarHBondContact OD1-CB 3.48Å; N58-Q60 PolarHBondContact OD1-N 3.48Å; N58-Q60 PolarHBondContact OD1-O 3.46Å
59	G	80.5	Confident	79.7	Confident	30 Å²	30	58 Å²	58	31%	0.309	30%	0.3	S	S	.	.	S	Bend	trans	80.7	14.5	-178.1	0	0	0	0	0	115.7	F50 D54 K57	F50-G59 WeakPolarHBondContact CZ-O 3.49Å; D54-G59 WeakPolarHBondContact OD2-CA 3.39Å; D54-G59 PolarHBondContact OD2-N 2.91Å; D54-G59 VanDerWaalsContact OD2-N 3.08Å; K57-G59 VanDerWaalsContact C-N 3.33Å
60	Q	84.1	Confident	79.5	Confident	76 Å²	76	58.2 Å²	58.2	36%	0.355	30%	0.299	S	S	.	.			trans	-143.1	105.5	-171.9	-66.2	172.5	58.9	0	0	110.4	Y26 N58 T62	Y26-Q60 HydrophobicContact CD2-CB 3.86Å; Y26-Q60 HydrophobicContact CD2-CG 3.67Å; Y26-Q60 HydrophobicContact CE2-CG 4.02Å; Y26-Q60 HydrophobicContact CG-CB 4.09Å; Y26-Q60 HydrophobicContact CG-CG 4.27Å; N58-Q60 VanDerWaalsContact OD1-CA 3.26Å; N58-Q60 WeakPolarHBondContact OD1-CA 3.42Å; N58-Q60 VanDerWaalsContact OD1-CB 3.28Å; N58-Q60 WeakPolarHBondContact OD1-CB 3.48Å; N58-Q60 PolarHBondContact OD1-N 3.48Å; N58-Q60 PolarHBondContact OD1-O 3.46Å; Q60-T62 PolarHBondContact O-N 3.15Å
61	L	80.8	Confident	78.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	114.4	-179.7	-90.1	165.9	0	0	0	112.6	F16 Y26 L27 L32 F50 L53 E65	F16-L61 WeakPolarHBondContact CE2-O 3.33Å; Y26-L61 CarbonylContact C-O 3.58Å; Y26-L61 VanDerWaalsContact CA-O 3.24Å; Y26-L61 WeakPolarHBondContact CA-O 3.47Å; L27-L61 HydrophobicContact CB-CB 4.11Å; L27-L61 PolarHBondContact N-O 3.12Å; L27-L61 PolarHBondContact O-N 2.99Å; L32-L61 HydrophobicContact CD1-CD1 3.45Å; L32-L61 VanDerWaalsContact CD1-CD1 3.45Å; F50-L61 HydrophobicContact CD2-CD1 3.66Å; F50-L61 HydrophobicContact CE2-CB 4.5Å; F50-L61 HydrophobicContact CE2-CD1 3.73Å; F50-L61 HydrophobicContact CE2-CG 4.14Å; F50-L61 HydrophobicContact CG-CD1 4.05Å; F50-L61 HydrophobicContact CZ-CD1 4.21Å; F50-L61 HydrophobicContact CZ-CG 4.2Å; L53-L61 HydrophobicContact CB-CD1 3.91Å; L53-L61 HydrophobicContact CB-CD2 3.31Å; L53-L61 HydrophobicContact CB-CG 4.23Å; L53-L61 HydrophobicContact CD1-CD1 4.03Å; L53-L61 HydrophobicContact CD1-CD2 4.44Å; L53-L61 HydrophobicContact CG-CD2 4.5Å; L61-E65 HydrophobicContact CD2-CB 3.8Å
62	T	83.2	Confident	77.9	Confident	54 Å²	54	60.9 Å²	60.9	33%	0.331	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	161.1	172.2	63.5	0	0	0	0	112	Q60 D64 E65 F66	Q60-T62 PolarHBondContact O-N 3.15Å; T62-D64 VanDerWaalsContact C-N 3.25Å; T62-D64 PolarHBondContact O-N 3.35Å; T62-E65 WeakPolarHBondContact CB-OE2 3.29Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.29Å; T62-E65 PolarHBondContact N-OE2 3.02Å; T62-E65 PolarHBondContact O-N 2.9Å; T62-E65 VanDerWaalsContact OG1-CG 3.31Å; T62-E65 WeakPolarHBondContact OG1-CG 3.42Å; T62-E65 PolarHBondContact OG1-N 2.62Å; T62-E65 PolarHBondContact OG1-OE2 3.48Å; T62-F66 WeakPolarHBondContact O-CB 3.38Å; T62-F66 PolarHBondContact O-N 3.44Å
63	L	82.2	Confident	77	Confident	49 Å²	49	58 Å²	58	26%	0.257	30%	0.299	S	S	.	.	H	α-helix	trans	-57.8	-38.9	176.9	178.8	65.7	0	0	0	112.1	R13 F16 F66 I67	R13-L63 HydrophobicContact CG-CD1 4.33Å; F16-L63 HydrophobicContact CB-CD1 3.71Å; F16-L63 HydrophobicContact CD1-CB 4.41Å; F16-L63 HydrophobicContact CD1-CD1 3.79Å; F16-L63 HydrophobicContact CD2-CB 4.41Å; F16-L63 HydrophobicContact CD2-CD1 3.93Å; F16-L63 HydrophobicContact CE1-CB 4.16Å; F16-L63 HydrophobicContact CE1-CD1 4.39Å; F16-L63 VanDerWaalsContact CE2-CA 3.48Å; F16-L63 HydrophobicContact CE2-CB 4.15Å; F16-L63 HydrophobicContact CG-CD1 3.52Å; F16-L63 HydrophobicContact CZ-CB 4.02Å; L63-F66 PolarHBondContact O-N 2.98Å; L63-I67 HydrophobicContact CD1-CD1 3.87Å; L63-I67 HydrophobicContact CD1-CG1 4.2Å; L63-I67 HydrophobicContact CD2-CD1 4.42Å; L63-I67 HydrophobicContact CG-CD1 3.79Å; L63-I67 HydrophobicContact CG-CG1 4.46Å; L63-I67 WeakPolarHBondContact O-CB 3.29Å; L63-I67 VanDerWaalsContact O-CG1 3.27Å; L63-I67 WeakPolarHBondContact O-CG1 3.48Å; L63-I67 PolarHBondContact O-N 3.02Å
64	D	81.4	Confident	75.9	Confident	116 Å²	116	61.2 Å²	61.2	62%	0.62	32%	0.316	S	S	*	.	H	α-helix	trans	-70.2	-40.7	-179.2	-70.6	-34.1	0	0	0	111.9	T62 Q68	T62-D64 VanDerWaalsContact C-N 3.25Å; T62-D64 PolarHBondContact O-N 3.35Å; D64-Q68 WeakPolarHBondContact O-CB 3.33Å; D64-Q68 PolarHBondContact O-N 2.94Å
65	E	81.4	Confident	74.5	Confident	27 Å²	27	65.7 Å²	65.7	13%	0.126	34%	0.343	C	S	.	.	H	α-helix	trans	-64.1	-42.7	173.4	-71.8	167.7	125	0	0	111.9	L61 T62 Q68 G69	L61-E65 HydrophobicContact CD2-CB 3.8Å; T62-E65 WeakPolarHBondContact CB-OE2 3.29Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.29Å; T62-E65 PolarHBondContact N-OE2 3.02Å; T62-E65 PolarHBondContact O-N 2.9Å; T62-E65 VanDerWaalsContact OG1-CG 3.31Å; T62-E65 WeakPolarHBondContact OG1-CG 3.42Å; T62-E65 PolarHBondContact OG1-N 2.62Å; T62-E65 PolarHBondContact OG1-OE2 3.48Å; E65-Q68 PolarHBondContact O-N 3.39Å; E65-G69 PolarHBondContact O-N 2.82Å; E65-G69 VanDerWaalsContact O-N 3.08Å
66	F	82	Confident	73.3	Confident	3 Å²	3	62.2 Å²	62.2	1%	0.013	33%	0.331	C	S	.	.	H	α-helix	trans	-60.6	-52.2	176	-170.9	-93.2	0	0	0	111.1	A12 L15 F16 L27 L35 L53 T62 L63 Q68 F70	A12-F66 HydrophobicContact CB-CD1 4.33Å; A12-F66 HydrophobicContact CB-CE1 4.26Å; A12-F66 WeakPolarHBondContact O-CE1 3.5Å; L15-F66 HydrophobicContact CB-CE1 4.15Å; L15-F66 HydrophobicContact CB-CZ 4.16Å; F16-F66 HydrophobicContact CB-CD1 4.21Å; F16-F66 HydrophobicContact CB-CE1 4.49Å; F16-F66 HydrophobicContact CD2-CB 3.75Å; F16-F66 HydrophobicContact CD2-CD1 4.18Å; F16-F66 HydrophobicContact CD2-CD2 4.47Å; F16-F66 AromaticContact CD2-CG 3.88Å; F16-F66 HydrophobicContact CD2-CG 3.88Å; F16-F66 HydrophobicContact CE2-CB 4.17Å; L27-F66 HydrophobicContact CD1-CD2 4.31Å; L27-F66 HydrophobicContact CD1-CE2 4.49Å; L35-F66 HydrophobicContact CD1-CE2 4.35Å; L53-F66 HydrophobicContact CD1-CD2 4.01Å; L53-F66 HydrophobicContact CD1-CE2 4.44Å; T62-F66 WeakPolarHBondContact O-CB 3.38Å; T62-F66 PolarHBondContact O-N 3.44Å; L63-F66 PolarHBondContact O-N 2.98Å; F66-Q68 PolarHBondContact O-N 3.41Å; F66-F70 HydrophobicContact CD1-CB 4.48Å; F66-F70 HydrophobicContact CE1-CB 4.36Å; F66-F70 AromaticContact CE1-CD2 3.96Å; F66-F70 HydrophobicContact CE1-CD2 3.96Å; F66-F70 HydrophobicContact CE1-CG 4.21Å; F66-F70 AromaticContact CZ-CD2 3.82Å; F66-F70 HydrophobicContact CZ-CD2 3.82Å; F66-F70 HydrophobicContact CZ-CE2 4.25Å; F66-F70 WeakPolarHBondContact O-CB 3.2Å; F66-F70 PolarHBondContact O-N 3.4Å
67	I	80.6	Confident	71.7	Confident	27 Å²	27	62.1 Å²	62.1	14%	0.138	33%	0.326	C	S	.	.	H	α-helix	trans	-59.7	-47	178.2	-68.7	167.3	0	0	0	110.9	I9 A12 R13 L63 G69 F70 G71	I9-I67 HydrophobicContact CG1-CG2 4.13Å; I9-I67 HydrophobicContact CG2-CD1 4.41Å; I9-I67 HydrophobicContact CG2-CG2 4.37Å; A12-I67 HydrophobicContact CB-CG1 3.98Å; R13-I67 HydrophobicContact CG-CD1 3.94Å; L63-I67 HydrophobicContact CD1-CD1 3.87Å; L63-I67 HydrophobicContact CD1-CG1 4.2Å; L63-I67 HydrophobicContact CD2-CD1 4.42Å; L63-I67 HydrophobicContact CG-CD1 3.79Å; L63-I67 HydrophobicContact CG-CG1 4.46Å; L63-I67 WeakPolarHBondContact O-CB 3.29Å; L63-I67 VanDerWaalsContact O-CG1 3.27Å; L63-I67 WeakPolarHBondContact O-CG1 3.48Å; L63-I67 PolarHBondContact O-N 3.02Å; I67-G69 VanDerWaalsContact C-N 3.32Å; I67-G69 PolarHBondContact O-N 2.85Å; I67-F70 PolarHBondContact O-N 2.89Å; I67-G71 PolarHBondContact O-N 3.44Å; I67-G71 VanDerWaalsContact O-N 3.13Å
68	Q	76.1	Confident	70.1	Confident	126 Å²	126	58.3 Å²	58.3	59%	0.589	33%	0.327	S	S	*	.	H	α-helix	trans	-66.6	-32	-172.2	-168.8	175.6	94.7	0	0	112.8	D64 E65 F66	D64-Q68 WeakPolarHBondContact O-CB 3.33Å; D64-Q68 PolarHBondContact O-N 2.94Å; E65-Q68 PolarHBondContact O-N 3.39Å; F66-Q68 PolarHBondContact O-N 3.41Å
69	G	71	Confident	68.3	Low	13 Å²	13	57 Å²	57	13%	0.134	33%	0.326	C	S	.	.	H	α-helix	trans	-98	-19.9	174.1	0	0	0	0	0	115.2	L53 E65 I67 G71 H72 F73	L53-G69 VanDerWaalsContact CD2-C 3.49Å; E65-G69 PolarHBondContact O-N 2.82Å; E65-G69 VanDerWaalsContact O-N 3.08Å; I67-G69 VanDerWaalsContact C-N 3.32Å; I67-G69 PolarHBondContact O-N 2.85Å; G69-G71 VanDerWaalsContact C-N 3.29Å; G69-H72 WeakPolarHBondContact O-CB 3.38Å; G69-H72 PolarHBondContact O-N 3.44Å; G69-F73 WeakPolarHBondContact O-CB 3.4Å; G69-F73 PolarHBondContact O-N 2.91Å
70	F	69.3	Low	66.5	Low	22 Å²	22	60.7 Å²	60.7	10%	0.096	34%	0.338	C	S	.	.	H	α-helix	trans	-65.7	-35.8	170.2	-166.1	-96.3	0	0	0	111.1	A12 L15 F66 I67 F73 L74	A12-F70 HydrophobicContact CB-CB 4.27Å; A12-F70 HydrophobicContact CB-CD1 3.73Å; A12-F70 HydrophobicContact CB-CE1 4.36Å; A12-F70 HydrophobicContact CB-CG 4.16Å; L15-F70 HydrophobicContact CD1-CE1 4.15Å; L15-F70 HydrophobicContact CD1-CE2 3.62Å; L15-F70 HydrophobicContact CD1-CZ 3.3Å; F66-F70 HydrophobicContact CD1-CB 4.48Å; F66-F70 HydrophobicContact CE1-CB 4.36Å; F66-F70 AromaticContact CE1-CD2 3.96Å; F66-F70 HydrophobicContact CE1-CD2 3.96Å; F66-F70 HydrophobicContact CE1-CG 4.21Å; F66-F70 AromaticContact CZ-CD2 3.82Å; F66-F70 HydrophobicContact CZ-CD2 3.82Å; F66-F70 HydrophobicContact CZ-CE2 4.25Å; F66-F70 WeakPolarHBondContact O-CB 3.2Å; F66-F70 PolarHBondContact O-N 3.4Å; I67-F70 PolarHBondContact O-N 2.89Å; F70-F73 PolarHBondContact O-N 3.14Å; F70-L74 HydrophobicContact CD1-CD1 3.8Å; F70-L74 HydrophobicContact CD1-CG 4.48Å; F70-L74 HydrophobicContact CE1-CD1 3.44Å; F70-L74 VanDerWaalsContact CE1-CD1 3.44Å; F70-L74 HydrophobicContact CE1-CG 4.19Å; F70-L74 HydrophobicContact CZ-CD1 4.23Å; F70-L74 PolarHBondContact O-N 2.94Å
71	G	62.9	Low	64.4	Low	26 Å²	26	64 Å²	64	27%	0.268	36%	0.358	S	S	.	.	H	α-helix	trans	-58.8	-46.7	167.7	0	0	0	0	0	112.5	I67 G69 F73 L74 V75	I67-G71 PolarHBondContact O-N 3.44Å; I67-G71 VanDerWaalsContact O-N 3.13Å; G69-G71 VanDerWaalsContact C-N 3.29Å; G71-F73 PolarHBondContact O-N 3.35Å; G71-L74 PolarHBondContact O-N 2.8Å; G71-V75 WeakPolarHBondContact O-CG2 3.36Å; G71-V75 PolarHBondContact O-N 2.97Å
72	H	62.8	Low	62.7	Low	120 Å²	120	67.2 Å²	67.2	56%	0.556	38%	0.375	S	S	*	.	H	α-helix	trans	-63.9	-41.1	177.4	-160	-16.3	0	0	0	112.1	G69 V75 D76	G69-H72 WeakPolarHBondContact O-CB 3.38Å; G69-H72 PolarHBondContact O-N 3.44Å; H72-V75 PolarHBondContact O-N 2.77Å; H72-D76 IonicContact CE1-OD1 2.74Å; H72-D76 IonicContact CE1-OD2 2.68Å; H72-D76 PolarHBondContact CE1-OD2 2.93Å; H72-D76 IonicContact ND1-OD1 2.91Å; H72-D76 PolarHBondContact ND1-OD1 3.02Å; H72-D76 IonicContact ND1-OD2 3.75Å; H72-D76 PolarHBondContact ND1-OD2 3.5Å; H72-D76 WeakPolarHBondContact O-CB 3.37Å; H72-D76 VanDerWaalsContact O-CG 3.26Å; H72-D76 PolarHBondContact O-N 3.14Å
73	F	59.5	Low	60.8	Low	41 Å²	41	71 Å²	71	18%	0.18	40%	0.398	C	S	.	.	H	α-helix	trans	-70.6	-30.6	-178.9	-170.6	-109.3	0	0	0	113.6	V49 G69 F70 G71 K77	V49-F73 HydrophobicContact CG2-CD2 4.28Å; V49-F73 HydrophobicContact CG2-CE1 4.46Å; V49-F73 HydrophobicContact CG2-CE2 3.76Å; V49-F73 HydrophobicContact CG2-CZ 3.84Å; G69-F73 WeakPolarHBondContact O-CB 3.4Å; G69-F73 PolarHBondContact O-N 2.91Å; F70-F73 PolarHBondContact O-N 3.14Å; G71-F73 PolarHBondContact O-N 3.35Å; F73-K77 HydrophobicContact CD1-CD 4.22Å; F73-K77 HydrophobicContact CE1-CD 3.65Å; F73-K77 VanDerWaalsContact CE1-CE 3.5Å; F73-K77 HydrophobicContact CE1-CG 4.2Å; F73-K77 HydrophobicContact CZ-CD 4Å; F73-K77 VanDerWaalsContact CZ-CE 3.48Å; F73-K77 HydrophobicContact CZ-CG 4.26Å; F73-K77 VanDerWaalsContact O-CB 3.3Å; F73-K77 WeakPolarHBondContact O-CB 3.5Å; F73-K77 PolarHBondContact O-N 2.86Å
74	L	56.4	Low	59.1	Low	75 Å²	75	76 Å²	76	39%	0.393	42%	0.424	S	S	.	.	H	α-helix	trans	-73.8	-36.9	172.4	-85.1	170.5	0	0	0	112.4	I8 F70 G71 D76	I8-L74 HydrophobicContact CG2-CD1 3.9Å; F70-L74 HydrophobicContact CD1-CD1 3.8Å; F70-L74 HydrophobicContact CD1-CG 4.48Å; F70-L74 HydrophobicContact CE1-CD1 3.44Å; F70-L74 VanDerWaalsContact CE1-CD1 3.44Å; F70-L74 HydrophobicContact CE1-CG 4.19Å; F70-L74 HydrophobicContact CZ-CD1 4.23Å; F70-L74 PolarHBondContact O-N 2.94Å; G71-L74 PolarHBondContact O-N 2.8Å; L74-D76 VanDerWaalsContact C-N 3.35Å
75	V	52	Low	57.6	Low	104 Å²	104	73 Å²	73	63%	0.63	41%	0.408	S	S	*	.	H	α-helix	trans	-63.2	-43.3	170.9	173	0	0	0	0	110.3	G71 H72	G71-V75 WeakPolarHBondContact O-CG2 3.36Å; G71-V75 PolarHBondContact O-N 2.97Å; H72-V75 PolarHBondContact O-N 2.77Å
76	D	50.6	Low	56.1	Low	54 Å²	54	76.9 Å²	76.9	29%	0.289	43%	0.426	S	S	.	.	H	α-helix	trans	-80.7	-16.4	-178.4	-66.5	-5.5	0	0	0	114.1	H72 L74 A78 A79 N80	H72-D76 IonicContact CE1-OD1 2.74Å; H72-D76 IonicContact CE1-OD2 2.68Å; H72-D76 PolarHBondContact CE1-OD2 2.93Å; H72-D76 IonicContact ND1-OD1 2.91Å; H72-D76 PolarHBondContact ND1-OD1 3.02Å; H72-D76 IonicContact ND1-OD2 3.75Å; H72-D76 PolarHBondContact ND1-OD2 3.5Å; H72-D76 WeakPolarHBondContact O-CB 3.37Å; H72-D76 VanDerWaalsContact O-CG 3.26Å; H72-D76 PolarHBondContact O-N 3.14Å; L74-D76 VanDerWaalsContact C-N 3.35Å; D76-A78 VanDerWaalsContact C-N 3.28Å; D76-A78 PolarHBondContact O-N 3.49Å; D76-A79 CarbonylContact O-C 3.56Å; D76-A79 WeakPolarHBondContact O-CA 3.24Å; D76-A79 VanDerWaalsContact O-CB 3.32Å; D76-A79 WeakPolarHBondContact O-CB 3.48Å; D76-A79 PolarHBondContact O-N 3.41Å; D76-N80 PolarHBondContact O-N 3.21Å; D76-N80 PolarHBondContact O-ND2 3.44Å
77	K	47.2	Very low	54.7	Low	99 Å²	99	84 Å²	84	43%	0.43	46%	0.459	S	S	.	.	H	α-helix	trans	-75.8	-14.2	174.7	-104	-170	168.5	-176.2	0	114.2	F73 A79	F73-K77 HydrophobicContact CD1-CD 4.22Å; F73-K77 HydrophobicContact CE1-CD 3.65Å; F73-K77 VanDerWaalsContact CE1-CE 3.5Å; F73-K77 HydrophobicContact CE1-CG 4.2Å; F73-K77 HydrophobicContact CZ-CD 4Å; F73-K77 VanDerWaalsContact CZ-CE 3.48Å; F73-K77 HydrophobicContact CZ-CG 4.26Å; F73-K77 VanDerWaalsContact O-CB 3.3Å; F73-K77 WeakPolarHBondContact O-CB 3.5Å; F73-K77 PolarHBondContact O-N 2.86Å; K77-A79 VanDerWaalsContact C-N 3.29Å
78	A	43.6	Very low	53.5	Low	96 Å²	96	85 Å²	85	79%	0.793	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-26.8	160.9	0	0	0	0	0	111.8	D76	D76-A78 VanDerWaalsContact C-N 3.28Å; D76-A78 PolarHBondContact O-N 3.49Å
79	A	46.2	Very low	52.7	Low	40 Å²	40	80.9 Å²	80.9	33%	0.331	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-39.2	-179.1	0	0	0	0	0	113.2	D76 K77 N81 L82	D76-A79 CarbonylContact O-C 3.56Å; D76-A79 WeakPolarHBondContact O-CA 3.24Å; D76-A79 VanDerWaalsContact O-CB 3.32Å; D76-A79 WeakPolarHBondContact O-CB 3.48Å; D76-A79 PolarHBondContact O-N 3.41Å; K77-A79 VanDerWaalsContact C-N 3.29Å; A79-N81 PolarHBondContact O-N 3.23Å; A79-L82 HydrophobicContact CB-CD1 3.84Å; A79-L82 WeakPolarHBondContact O-CB 3.32Å; A79-L82 WeakPolarHBondContact O-CD1 3.49Å; A79-L82 WeakPolarHBondContact O-CG 3.39Å; A79-L82 PolarHBondContact O-N 3.28Å
80	N	42.5	Very low	52.2	Low	106 Å²	106	87 Å²	87	57%	0.567	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	21.1	-164.6	-76.8	-44.6	0	0	0	118.3	D76 L82	D76-N80 PolarHBondContact O-N 3.21Å; D76-N80 PolarHBondContact O-ND2 3.44Å; N80-L82 VanDerWaalsContact C-N 3.27Å
81	N	40.8	Very low	51.9	Low	145 Å²	145	90.7 Å²	90.7	78%	0.775	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	0.6	154.2	-85.6	-11.9	0	0	0	112.6	A79 V83 L84	A79-N81 PolarHBondContact O-N 3.23Å; N81-V83 VanDerWaalsContact C-N 3.29Å; N81-V83 PolarHBondContact O-N 3.29Å; N81-L84 PolarHBondContact O-N 2.88Å
82	L	45.8	Very low	51.9	Low	69 Å²	69	89.6 Å²	89.6	36%	0.361	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-47.8	-31	-169.2	-97.9	158	0	0	0	117.6	A79 N80 L84 D85 E86	A79-L82 HydrophobicContact CB-CD1 3.84Å; A79-L82 WeakPolarHBondContact O-CB 3.32Å; A79-L82 WeakPolarHBondContact O-CD1 3.49Å; A79-L82 WeakPolarHBondContact O-CG 3.39Å; A79-L82 PolarHBondContact O-N 3.28Å; N80-L82 VanDerWaalsContact C-N 3.27Å; L82-L84 PolarHBondContact O-N 2.92Å; L82-D85 PolarHBondContact O-N 3.39Å; L82-E86 HydrophobicContact CD2-CG 4.02Å; L82-E86 WeakPolarHBondContact O-CG 3.47Å; L82-E86 PolarHBondContact O-N 3.23Å
83	V	43.7	Very low	52	Low	133 Å²	133	87 Å²	87	81%	0.806	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-69.7	-6.9	-171	-165.5	0	0	0	0	114	N81	N81-V83 VanDerWaalsContact C-N 3.29Å; N81-V83 PolarHBondContact O-N 3.29Å
84	L	44.9	Very low	52.3	Low	153 Å²	153	92.2 Å²	92.2	80%	0.801	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-119	-9.1	167.9	-75.1	170.1	0	0	0	113.8	N81 L82	N81-L84 PolarHBondContact O-N 2.88Å; L82-L84 PolarHBondContact O-N 2.92Å
85	D	50.5	Low	52.7	Low	53 Å²	53	90.7 Å²	90.7	28%	0.283	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-22.2	177.2	-113.7	-9.2	0	0	0	111.8	L82 E87 I88 D89 K116	L82-D85 PolarHBondContact O-N 3.39Å; D85-E87 PolarHBondContact O-N 3.39Å; D85-I88 PolarHBondContact O-N 2.86Å; D85-I88 VanDerWaalsContact O-N 3.15Å; D85-D89 WeakPolarHBondContact O-CB 3.23Å; D85-D89 PolarHBondContact O-N 2.89Å; D85-K116 IonicContact OD1-NZ 2.72Å; D85-K116 PolarHBondContact OD1-NZ 2.93Å; D85-K116 IonicContact OD2-NZ 3.68Å; D85-K116 PolarHBondContact OD2-NZ 2.88Å
86	E	49.5	Very low	53.3	Low	109 Å²	109	86.2 Å²	86.2	51%	0.509	46%	0.456	S	S	.	.	H	α-helix	trans	-55.5	-49.9	178.3	-80.2	173.8	178.7	0	0	113.2	L82 I88 D89 E90	L82-E86 HydrophobicContact CD2-CG 4.02Å; L82-E86 WeakPolarHBondContact O-CG 3.47Å; L82-E86 PolarHBondContact O-N 3.23Å; E86-I88 VanDerWaalsContact C-N 3.26Å; E86-I88 PolarHBondContact O-N 3.04Å; E86-D89 PolarHBondContact O-N 3.38Å; E86-E90 WeakPolarHBondContact O-CB 3.5Å; E86-E90 WeakPolarHBondContact O-CG 3.5Å; E86-E90 PolarHBondContact O-N 3.47Å
87	E	52.3	Low	54	Low	152 Å²	152	88.2 Å²	88.2	71%	0.71	48%	0.475	S	S	*	.	H	α-helix	trans	-63.9	-28.9	177.9	-70.5	-169.6	162.6	0	0	113.4	D85 Q91	D85-E87 PolarHBondContact O-N 3.39Å; E87-Q91 WeakPolarHBondContact O-CG 3.35Å; E87-Q91 PolarHBondContact O-N 3.35Å
88	I	55.3	Low	54.6	Low	49 Å²	49	87.5 Å²	87.5	25%	0.251	48%	0.482	S	S	.	.	H	α-helix	trans	-80.2	-42.6	-179	-64.5	-179.5	0	0	0	110.3	D85 E86 Q91 Y92 W115 K119	D85-I88 PolarHBondContact O-N 2.86Å; D85-I88 VanDerWaalsContact O-N 3.15Å; E86-I88 VanDerWaalsContact C-N 3.26Å; E86-I88 PolarHBondContact O-N 3.04Å; I88-Q91 PolarHBondContact O-N 2.92Å; I88-Y92 PolarHBondContact O-N 2.99Å; I88-Y92 VanDerWaalsContact O-N 3.08Å; I88-W115 HydrophobicContact CG2-CZ3 3.94Å; I88-K119 HydrophobicContact CG2-CD 4.22Å
89	D	59.5	Low	55.4	Low	39 Å²	39	83.6 Å²	83.6	21%	0.209	45%	0.448	C	S	.	.	H	α-helix	trans	-71.5	-33.1	175.9	-91.8	3.1	0	0	0	111.9	D85 E86 Y92 N93 K112	D85-D89 WeakPolarHBondContact O-CB 3.23Å; D85-D89 PolarHBondContact O-N 2.89Å; E86-D89 PolarHBondContact O-N 3.38Å; D89-Y92 PolarHBondContact O-N 3.42Å; D89-N93 WeakPolarHBondContact O-CB 3.29Å; D89-N93 PolarHBondContact O-N 2.93Å; D89-N93 PolarHBondContact O-ND2 3.17Å; D89-N93 VanDerWaalsContact O-ND2 3.08Å; D89-K112 WeakPolarHBondContact OD1-CE 3.29Å; D89-K112 IonicContact OD1-NZ 2.68Å; D89-K112 PolarHBondContact OD1-NZ 2.87Å; D89-K112 IonicContact OD2-NZ 3.63Å; D89-K112 PolarHBondContact OD2-NZ 3.35Å
90	E	61.3	Low	56.1	Low	141 Å²	141	84.8 Å²	84.8	66%	0.659	45%	0.449	S	S	*	.	H	α-helix	trans	-59.5	-46.5	170	-82	-168.8	166.4	0	0	111.7	E86 N93 Q94	E86-E90 WeakPolarHBondContact O-CB 3.5Å; E86-E90 WeakPolarHBondContact O-CG 3.5Å; E86-E90 PolarHBondContact O-N 3.47Å; E90-N93 PolarHBondContact O-N 3.25Å; E90-Q94 VanDerWaalsContact O-CB 3.27Å; E90-Q94 WeakPolarHBondContact O-CB 3.48Å; E90-Q94 PolarHBondContact O-N 3.45Å
91	Q	61.8	Low	56.8	Low	100 Å²	100	81.3 Å²	81.3	47%	0.467	43%	0.432	S	S	.	.	H	α-helix	trans	-64.7	-40.9	177.6	-73.8	177.9	1.6	0	0	112.4	E87 I88 I95 W115	E87-Q91 WeakPolarHBondContact O-CG 3.35Å; E87-Q91 PolarHBondContact O-N 3.35Å; I88-Q91 PolarHBondContact O-N 2.92Å; Q91-I95 WeakPolarHBondContact O-CG1 3.42Å; Q91-I95 PolarHBondContact O-N 3.43Å; Q91-W115 HydrophobicContact CB-CH2 4.05Å
92	Y	64.1	Low	57.6	Low	3 Å²	3	82.8 Å²	82.8	1%	0.012	43%	0.434	C	S	.	.	H	α-helix	trans	-62.2	-51.8	173.6	-178.4	-113.4	0	0	0	110.9	I88 D89 Q94 I95 I96 Y108 K112 W115	I88-Y92 PolarHBondContact O-N 2.99Å; I88-Y92 VanDerWaalsContact O-N 3.08Å; D89-Y92 PolarHBondContact O-N 3.42Å; Y92-Q94 VanDerWaalsContact C-N 3.27Å; Y92-Q94 PolarHBondContact O-N 3.26Å; Y92-I95 PolarHBondContact O-N 2.93Å; Y92-I96 HydrophobicContact CD1-CG1 4.05Å; Y92-I96 HydrophobicContact CD2-CG1 4.04Å; Y92-I96 HydrophobicContact CE1-CD1 4.39Å; Y92-I96 HydrophobicContact CE1-CG1 3.64Å; Y92-I96 HydrophobicContact CE2-CD1 4.05Å; Y92-I96 HydrophobicContact CE2-CG1 3.64Å; Y92-I96 HydrophobicContact CG-CG1 4.24Å; Y92-I96 VanDerWaalsContact CZ-CG1 3.4Å; Y92-I96 VanDerWaalsContact O-CB 3.25Å; Y92-I96 WeakPolarHBondContact O-CB 3.3Å; Y92-I96 WeakPolarHBondContact O-CG1 3.48Å; Y92-I96 PolarHBondContact O-N 2.99Å; Y92-Y108 HydrophobicContact CE1-CE1 4.31Å; Y92-Y108 HydrophobicContact CE1-CE2 4.25Å; Y92-Y108 AromaticContact CE1-CZ 3.74Å; Y92-Y108 WeakPolarHBondContact CE1-OH 3.47Å; Y92-K112 HydrophobicContact CD1-CB 4.48Å; Y92-K112 HydrophobicContact CD1-CD 3.99Å; Y92-K112 HydrophobicContact CD1-CG 3.88Å; Y92-K112 HydrophobicContact CE1-CB 3.62Å; Y92-K112 HydrophobicContact CE1-CD 3.75Å; Y92-K112 HydrophobicContact CE1-CG 3.5Å; Y92-K112 VanDerWaalsContact CE1-CG 3.5Å; Y92-K112 HydrophobicContact CE2-CB 4.4Å; Y92-K112 VanDerWaalsContact CZ-CA 3.47Å; Y92-K112 VanDerWaalsContact OH-CA 3.3Å; Y92-K112 WeakPolarHBondContact OH-CA 3.44Å; Y92-K112 WeakPolarHBondContact OH-CB 3.5Å; Y92-K112 PolarHBondContact OH-N 2.97Å; Y92-K112 VanDerWaalsContact OH-N 3.12Å; Y92-W115 HydrophobicContact CD2-CB 3.92Å; Y92-W115 AromaticContact CD2-CD2 3.48Å; Y92-W115 HydrophobicContact CD2-CD2 3.48Å; Y92-W115 VanDerWaalsContact CD2-CD2 3.48Å; Y92-W115 AromaticContact CD2-CE3 3.63Å; Y92-W115 HydrophobicContact CD2-CE3 3.63Å; Y92-W115 AromaticContact CD2-CG 3.61Å; Y92-W115 HydrophobicContact CD2-CG 3.61Å; Y92-W115 HydrophobicContact CD2-CZ3 4.23Å; Y92-W115 HydrophobicContact CE2-CB 3.75Å; Y92-W115 HydrophobicContact CE2-CD2 4.24Å; Y92-W115 AromaticContact CE2-CG 3.88Å; Y92-W115 HydrophobicContact CE2-CG 3.88Å; Y92-W115 HydrophobicContact CG-CD2 4.33Å; Y92-W115 HydrophobicContact CG-CE3 4.08Å; Y92-W115 HydrophobicContact CG-CZ3 4.3Å
93	N	65.3	Low	58.2	Low	66 Å²	66	85 Å²	85	35%	0.353	45%	0.446	S	S	.	.	H	α-helix	trans	-64.3	-28.6	-178.2	-69.3	-25.8	0	0	0	112.1	D89 E90 S97	D89-N93 WeakPolarHBondContact O-CB 3.29Å; D89-N93 PolarHBondContact O-N 2.93Å; D89-N93 PolarHBondContact O-ND2 3.17Å; D89-N93 VanDerWaalsContact O-ND2 3.08Å; E90-N93 PolarHBondContact O-N 3.25Å; N93-S97 WeakPolarHBondContact O-CA 3.32Å; N93-S97 WeakPolarHBondContact O-CB 3.29Å; N93-S97 PolarHBondContact O-N 3.22Å; N93-S97 PolarHBondContact O-OG 3.38Å
94	Q	65	Low	58.9	Low	150 Å²	150	80.4 Å²	80.4	70%	0.701	42%	0.418	S	S	*	.	H	α-helix	trans	-71.8	-41.2	175.6	-169.8	168	44.8	0	0	111.9	E90 Y92 S97 S98	E90-Q94 VanDerWaalsContact O-CB 3.27Å; E90-Q94 WeakPolarHBondContact O-CB 3.48Å; E90-Q94 PolarHBondContact O-N 3.45Å; Y92-Q94 VanDerWaalsContact C-N 3.27Å; Y92-Q94 PolarHBondContact O-N 3.26Å; Q94-S97 PolarHBondContact O-N 3.02Å; Q94-S98 PolarHBondContact O-N 2.87Å
95	I	64.8	Low	59.6	Low	43 Å²	43	75.5 Å²	75.5	22%	0.221	39%	0.393	C	S	.	.	H	α-helix	trans	-70.2	-43.7	175.8	-65.3	174.3	0	0	0	110.1	Q91 Y92 S98 L99 W115 E130	Q91-I95 WeakPolarHBondContact O-CG1 3.42Å; Q91-I95 PolarHBondContact O-N 3.43Å; Y92-I95 PolarHBondContact O-N 2.93Å; I95-S98 WeakPolarHBondContact O-CB 3.46Å; I95-S98 PolarHBondContact O-N 2.89Å; I95-S98 VanDerWaalsContact O-N 3.13Å; I95-S98 PolarHBondContact O-OG 2.92Å; I95-L99 HydrophobicContact CG2-CD1 3.97Å; I95-L99 PolarHBondContact O-N 3.18Å; I95-W115 HydrophobicContact CD1-CZ2 4.37Å; I95-E130 VanDerWaalsContact CD1-OE1 3.29Å; I95-E130 WeakPolarHBondContact CD1-OE1 3.49Å; I95-E130 HydrophobicContact CG2-CG 4.42Å
96	I	65.4	Low	60.3	Low	10 Å²	10	83.3 Å²	83.3	5%	0.051	42%	0.424	C	S	.	.	H	α-helix	trans	-62	-38.8	172.5	-79.1	-60.7	0	0	0	112.9	Y92 S98 L99 P101 Y108	Y92-I96 HydrophobicContact CD1-CG1 4.05Å; Y92-I96 HydrophobicContact CD2-CG1 4.04Å; Y92-I96 HydrophobicContact CE1-CD1 4.39Å; Y92-I96 HydrophobicContact CE1-CG1 3.64Å; Y92-I96 HydrophobicContact CE2-CD1 4.05Å; Y92-I96 HydrophobicContact CE2-CG1 3.64Å; Y92-I96 HydrophobicContact CG-CG1 4.24Å; Y92-I96 VanDerWaalsContact CZ-CG1 3.4Å; Y92-I96 VanDerWaalsContact O-CB 3.25Å; Y92-I96 WeakPolarHBondContact O-CB 3.3Å; Y92-I96 WeakPolarHBondContact O-CG1 3.48Å; Y92-I96 PolarHBondContact O-N 2.99Å; I96-S98 PolarHBondContact O-N 3.18Å; I96-L99 CarbonylContact O-C 3.5Å; I96-L99 WeakPolarHBondContact O-CA 3.24Å; I96-L99 PolarHBondContact O-N 2.92Å; I96-P101 HydrophobicContact CG2-CB 3.68Å; I96-P101 HydrophobicContact CG2-CG 3.68Å; I96-Y108 HydrophobicContact CD1-CE2 3.98Å; I96-Y108 HydrophobicContact CG1-CE2 4.14Å; I96-Y108 HydrophobicContact CG2-CE2 3.69Å; I96-Y108 WeakPolarHBondContact CG2-OH 3.38Å
97	S	63.7	Low	61	Low	97 Å²	97	80.6 Å²	80.6	68%	0.678	42%	0.417	S	S	*	.	H	α-helix	trans	-69.3	-19.5	176	-62.6	0	0	0	0	112.2	N93 Q94 L99	N93-S97 WeakPolarHBondContact O-CA 3.32Å; N93-S97 WeakPolarHBondContact O-CB 3.29Å; N93-S97 PolarHBondContact O-N 3.22Å; N93-S97 PolarHBondContact O-OG 3.38Å; Q94-S97 PolarHBondContact O-N 3.02Å; S97-L99 VanDerWaalsContact C-N 3.3Å
98	S	60.9	Low	61.8	Low	84 Å²	84	76.8 Å²	76.8	59%	0.587	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-6.9	167.4	81.9	0	0	0	0	113.7	Q94 I95 I96	Q94-S98 PolarHBondContact O-N 2.87Å; I95-S98 WeakPolarHBondContact O-CB 3.46Å; I95-S98 PolarHBondContact O-N 2.89Å; I95-S98 VanDerWaalsContact O-N 3.13Å; I95-S98 PolarHBondContact O-OG 2.92Å; I96-S98 PolarHBondContact O-N 3.18Å
99	L	59.2	Low	62.4	Low	13 Å²	13	81.6 Å²	81.6	7%	0.068	42%	0.418	C	S	.	.	S	Bend	trans	-128	74.9	-174	-76.3	168.9	0	0	0	110.1	I95 I96 S97 P101 L133 R134 M137	I95-L99 HydrophobicContact CG2-CD1 3.97Å; I95-L99 PolarHBondContact O-N 3.18Å; I96-L99 CarbonylContact O-C 3.5Å; I96-L99 WeakPolarHBondContact O-CA 3.24Å; I96-L99 PolarHBondContact O-N 2.92Å; S97-L99 VanDerWaalsContact C-N 3.3Å; L99-P101 VanDerWaalsContact O-CA 3.27Å; L99-P101 WeakPolarHBondContact O-CA 3.29Å; L99-P101 WeakPolarHBondContact O-CB 3.45Å; L99-P101 WeakPolarHBondContact O-CD 3.29Å; L99-L133 HydrophobicContact CD1-CB 4.49Å; L99-R134 HydrophobicContact CD2-CB 4.45Å; L99-R134 HydrophobicContact CD2-CG 3.82Å; L99-M137 WeakPolarHBondContact CA-SD 3.4Å; L99-M137 HydrophobicContact CB-CE 4.19Å; L99-M137 HydrophobicContact CB-SD 3.58Å; L99-M137 VanDerWaalsContact CB-SD 3.58Å; L99-M137 HydrophobicContact CD2-CB 4.18Å; L99-M137 HydrophobicContact CD2-CG 4.42Å; L99-M137 HydrophobicContact CD2-SD 3.61Å; L99-M137 HydrophobicContact CG-SD 4.24Å; L99-M137 VanDerWaalsContact O-CE 3.29Å; L99-M137 WeakPolarHBondContact O-CE 3.45Å
100	D	62.8	Low	62.9	Low	66 Å²	66	85.7 Å²	85.7	35%	0.353	44%	0.436	S	S	.	.			trans	-17.8	85	179.1	-173	15.4	0	0	0	114.9	M137	D100-M137 HydrophobicContact CB-SD 4.42Å; D100-M137 PolarHBondContact N-SD 2.95Å; D100-M137 VanDerWaalsContact O-CE 3.23Å; D100-M137 WeakPolarHBondContact O-CE 3.19Å
101	P	55.9	Low	63.5	Low	33 Å²	33	79.7 Å²	79.7	21%	0.214	41%	0.409	C	S	.	.	H	α-helix	trans	-88.8	-20.5	-156.4	30.5	-34.4	0	0	0	114	I96 L99 N103 Y108	I96-P101 HydrophobicContact CG2-CB 3.68Å; I96-P101 HydrophobicContact CG2-CG 3.68Å; L99-P101 VanDerWaalsContact O-CA 3.27Å; L99-P101 WeakPolarHBondContact O-CA 3.29Å; L99-P101 WeakPolarHBondContact O-CB 3.45Å; L99-P101 WeakPolarHBondContact O-CD 3.29Å; P101-N103 VanDerWaalsContact C-N 3.27Å; P101-N103 PolarHBondContact O-N 2.97Å; P101-Y108 HydrophobicContact CB-CD2 4.2Å; P101-Y108 HydrophobicContact CB-CE2 3.95Å
102	E	58.1	Low	64	Low	176 Å²	176	77.6 Å²	77.6	82%	0.822	40%	0.398	S	S	*	.	H	α-helix	trans	-69.7	-24.2	-171.8	-62.4	-164.1	142.3	0	0	113
103	N	57.5	Low	64.4	Low	114 Å²	114	84.2 Å²	84.2	61%	0.61	43%	0.429	S	S	*	.	H	α-helix	trans	-114.8	-13.6	-165.1	-66.7	-60.6	0	0	0	115.8	P101	P101-N103 VanDerWaalsContact C-N 3.27Å; P101-N103 PolarHBondContact O-N 2.97Å
104	V	59.3	Low	64.8	Low	37 Å²	37	84.8 Å²	84.8	22%	0.224	43%	0.431	C	S	.	.	H	α-helix	trans	-105.9	-36.2	-173.3	-179.7	0	0	0	0	113	M137 V140	V104-M137 HydrophobicContact CB-CE 3.85Å; V104-M137 HydrophobicContact CG1-CE 4.29Å; V104-M137 HydrophobicContact CG2-CE 3.97Å; V104-M137 HydrophobicContact CG2-CG 4.35Å; V104-V140 HydrophobicContact CG1-CB 4.34Å; V104-V140 HydrophobicContact CG1-CG1 4.07Å; V104-V140 HydrophobicContact CG1-CG2 4.38Å; V104-V140 HydrophobicContact CG2-CG1 4.06Å
105	L	59.5	Low	65.4	Low	50 Å²	50	78 Å²	78	26%	0.262	40%	0.399	S	S	.	.			trans	-114	89.4	-169.9	-69.2	167.4	0	0	0	111.9	S107 Y108 V111	L105-S107 PolarHBondContact O-N 3.22Å; L105-Y108 PolarHBondContact O-N 2.84Å; L105-V111 HydrophobicContact CD1-CB 4.33Å; L105-V111 HydrophobicContact CD1-CG1 4.36Å; L105-V111 HydrophobicContact CD1-CG2 3.86Å; L105-V111 HydrophobicContact CD2-CG2 4Å; L105-V111 HydrophobicContact CG-CG2 4.46Å
106	K	65.1	Low	65.7	Low	218 Å²	218	78.9 Å²	78.9	95%	0.948	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-20.1	169.5	-69.4	-174.9	178.2	179.8	0	113.8
107	S	63.9	Low	66.1	Low	51 Å²	51	86.3 Å²	86.3	36%	0.357	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	48.2	177.6	-56.9	0	0	0	0	111.4	L105 E109 Q110 V111	L105-S107 PolarHBondContact O-N 3.22Å; S107-E109 PolarHBondContact O-N 3.47Å; S107-E109 VanDerWaalsContact O-N 3.15Å; S107-Q110 VanDerWaalsContact CB-CD 3.48Å; S107-Q110 WeakPolarHBondContact O-CB 3.45Å; S107-Q110 PolarHBondContact O-N 2.97Å; S107-V111 PolarHBondContact O-N 3.19Å
108	Y	68.8	Low	66.5	Low	72 Å²	72	83.1 Å²	83.1	28%	0.282	41%	0.405	S	S	.	.	H	α-helix	trans	-46.6	-40.4	175.1	178.8	-99.6	0	0	0	113.1	Y92 I96 P101 L105 Q110 V111 K112	Y92-Y108 HydrophobicContact CE1-CE1 4.31Å; Y92-Y108 HydrophobicContact CE1-CE2 4.25Å; Y92-Y108 AromaticContact CE1-CZ 3.74Å; Y92-Y108 WeakPolarHBondContact CE1-OH 3.47Å; I96-Y108 HydrophobicContact CD1-CE2 3.98Å; I96-Y108 HydrophobicContact CG1-CE2 4.14Å; I96-Y108 HydrophobicContact CG2-CE2 3.69Å; I96-Y108 WeakPolarHBondContact CG2-OH 3.38Å; P101-Y108 HydrophobicContact CB-CD2 4.2Å; P101-Y108 HydrophobicContact CB-CE2 3.95Å; L105-Y108 PolarHBondContact O-N 2.84Å; Y108-Q110 VanDerWaalsContact C-N 3.34Å; Y108-Q110 PolarHBondContact O-N 3.46Å; Y108-V111 PolarHBondContact O-N 3.44Å; Y108-K112 PolarHBondContact O-N 3.19Å
109	E	67.7	Low	67.1	Low	150 Å²	150	81.8 Å²	81.8	70%	0.701	39%	0.388	S	S	*	.	H	α-helix	trans	-62.3	-36	175.8	-63.4	-171.3	165.3	0	0	113.7	S107 V111 K112 H113	S107-E109 PolarHBondContact O-N 3.47Å; S107-E109 VanDerWaalsContact O-N 3.15Å; E109-V111 VanDerWaalsContact C-N 3.34Å; E109-K112 PolarHBondContact O-N 2.86Å; E109-H113 WeakPolarHBondContact O-CB 3.49Å; E109-H113 PolarHBondContact O-CD2 2.97Å; E109-H113 PolarHBondContact O-N 2.99Å
110	Q	70.6	Confident	67.6	Low	125 Å²	125	87.8 Å²	87.8	58%	0.584	42%	0.42	S	S	*	.	H	α-helix	trans	-66.7	-40	177.1	-66.2	176.8	0.7	0	0	110.5	S107 Y108 H113 I114	S107-Q110 VanDerWaalsContact CB-CD 3.48Å; S107-Q110 WeakPolarHBondContact O-CB 3.45Å; S107-Q110 PolarHBondContact O-N 2.97Å; Y108-Q110 VanDerWaalsContact C-N 3.34Å; Y108-Q110 PolarHBondContact O-N 3.46Å; Q110-H113 PolarHBondContact O-N 3.46Å; Q110-I114 WeakPolarHBondContact O-CB 3.35Å; Q110-I114 WeakPolarHBondContact O-CD1 3.38Å; Q110-I114 WeakPolarHBondContact O-CG1 3.26Å; Q110-I114 PolarHBondContact O-N 2.95Å
111	V	74.7	Confident	68	Low	15 Å²	15	87.2 Å²	87.2	9%	0.091	42%	0.424	C	S	.	.	H	α-helix	trans	-67.6	-39.1	175.6	179.8	0	0	0	0	111	L105 S107 Y108 E109 I114 W115 F129 L133	L105-V111 HydrophobicContact CD1-CB 4.33Å; L105-V111 HydrophobicContact CD1-CG1 4.36Å; L105-V111 HydrophobicContact CD1-CG2 3.86Å; L105-V111 HydrophobicContact CD2-CG2 4Å; L105-V111 HydrophobicContact CG-CG2 4.46Å; S107-V111 PolarHBondContact O-N 3.19Å; Y108-V111 PolarHBondContact O-N 3.44Å; E109-V111 VanDerWaalsContact C-N 3.34Å; V111-I114 PolarHBondContact O-N 3.46Å; V111-W115 WeakPolarHBondContact O-CB 3.38Å; V111-W115 PolarHBondContact O-N 3.23Å; V111-F129 HydrophobicContact CG1-CE1 4.45Å; V111-F129 HydrophobicContact CG1-CZ 4.31Å; V111-L133 HydrophobicContact CG1-CD1 3.79Å; V111-L133 HydrophobicContact CG1-CD2 4.4Å
112	K	72	Confident	68.7	Low	56 Å²	56	88.7 Å²	88.7	24%	0.243	43%	0.431	C	S	.	.	H	α-helix	trans	-62.2	-43.8	172.9	-170.9	171.2	-177.6	-179.7	0	112	D89 Y92 Y108 E109 W115 K116	D89-K112 WeakPolarHBondContact OD1-CE 3.29Å; D89-K112 IonicContact OD1-NZ 2.68Å; D89-K112 PolarHBondContact OD1-NZ 2.87Å; D89-K112 IonicContact OD2-NZ 3.63Å; D89-K112 PolarHBondContact OD2-NZ 3.35Å; Y92-K112 HydrophobicContact CD1-CB 4.48Å; Y92-K112 HydrophobicContact CD1-CD 3.99Å; Y92-K112 HydrophobicContact CD1-CG 3.88Å; Y92-K112 HydrophobicContact CE1-CB 3.62Å; Y92-K112 HydrophobicContact CE1-CD 3.75Å; Y92-K112 HydrophobicContact CE1-CG 3.5Å; Y92-K112 VanDerWaalsContact CE1-CG 3.5Å; Y92-K112 HydrophobicContact CE2-CB 4.4Å; Y92-K112 VanDerWaalsContact CZ-CA 3.47Å; Y92-K112 VanDerWaalsContact OH-CA 3.3Å; Y92-K112 WeakPolarHBondContact OH-CA 3.44Å; Y92-K112 WeakPolarHBondContact OH-CB 3.5Å; Y92-K112 PolarHBondContact OH-N 2.97Å; Y92-K112 VanDerWaalsContact OH-N 3.12Å; Y108-K112 PolarHBondContact O-N 3.19Å; E109-K112 PolarHBondContact O-N 2.86Å; K112-W115 PolarHBondContact O-N 2.76Å; K112-K116 WeakPolarHBondContact O-CB 3.25Å; K112-K116 PolarHBondContact O-N 2.77Å
113	H	72.5	Confident	69.3	Low	142 Å²	142	84.6 Å²	84.6	66%	0.657	42%	0.421	S	S	*	.	H	α-helix	trans	-62.4	-45.1	175.3	-93.6	-72.6	0	0	0	112.4	E109 Q110 Y117	E109-H113 WeakPolarHBondContact O-CB 3.49Å; E109-H113 PolarHBondContact O-CD2 2.97Å; E109-H113 PolarHBondContact O-N 2.99Å; Q110-H113 PolarHBondContact O-N 3.46Å; H113-Y117 VanDerWaalsContact O-CB 3.24Å; H113-Y117 WeakPolarHBondContact O-CB 3.48Å; H113-Y117 PolarHBondContact O-N 3.5Å
114	I	74.6	Confident	70.2	Confident	78 Å²	78	85.3 Å²	85.3	40%	0.4	42%	0.42	S	S	.	.	H	α-helix	trans	-62.3	-46.6	176.9	-68.8	162.3	0	0	0	110.2	Q110 V111 Y117 M118 F129	Q110-I114 WeakPolarHBondContact O-CB 3.35Å; Q110-I114 WeakPolarHBondContact O-CD1 3.38Å; Q110-I114 WeakPolarHBondContact O-CG1 3.26Å; Q110-I114 PolarHBondContact O-N 2.95Å; V111-I114 PolarHBondContact O-N 3.46Å; I114-Y117 PolarHBondContact O-N 3.25Å; I114-M118 HydrophobicContact CG2-CG 4.23Å; I114-M118 HydrophobicContact CG2-SD 3.86Å; I114-M118 WeakPolarHBondContact O-CB 3.28Å; I114-M118 VanDerWaalsContact O-CG 3.29Å; I114-M118 WeakPolarHBondContact O-CG 3.42Å; I114-M118 PolarHBondContact O-N 2.95Å; I114-F129 HydrophobicContact CB-CZ 4.18Å; I114-F129 HydrophobicContact CG2-CE1 3.9Å; I114-F129 HydrophobicContact CG2-CE2 3.84Å; I114-F129 HydrophobicContact CG2-CZ 3.49Å; I114-F129 VanDerWaalsContact CG2-CZ 3.49Å
115	W	76.3	Confident	71.1	Confident	8 Å²	8	86.3 Å²	86.3	3%	0.03	42%	0.424	C	S	.	.	H	α-helix	trans	-63.3	-45.4	179.1	-170.8	94.9	0	0	0	112.2	I88 Q91 Y92 I95 V111 K112 Y117 M118 K119 L126 F129 E130	I88-W115 HydrophobicContact CG2-CZ3 3.94Å; Q91-W115 HydrophobicContact CB-CH2 4.05Å; Y92-W115 HydrophobicContact CD2-CB 3.92Å; Y92-W115 AromaticContact CD2-CD2 3.48Å; Y92-W115 HydrophobicContact CD2-CD2 3.48Å; Y92-W115 VanDerWaalsContact CD2-CD2 3.48Å; Y92-W115 AromaticContact CD2-CE3 3.63Å; Y92-W115 HydrophobicContact CD2-CE3 3.63Å; Y92-W115 AromaticContact CD2-CG 3.61Å; Y92-W115 HydrophobicContact CD2-CG 3.61Å; Y92-W115 HydrophobicContact CD2-CZ3 4.23Å; Y92-W115 HydrophobicContact CE2-CB 3.75Å; Y92-W115 HydrophobicContact CE2-CD2 4.24Å; Y92-W115 AromaticContact CE2-CG 3.88Å; Y92-W115 HydrophobicContact CE2-CG 3.88Å; Y92-W115 HydrophobicContact CG-CD2 4.33Å; Y92-W115 HydrophobicContact CG-CE3 4.08Å; Y92-W115 HydrophobicContact CG-CZ3 4.3Å; I95-W115 HydrophobicContact CD1-CZ2 4.37Å; V111-W115 WeakPolarHBondContact O-CB 3.38Å; V111-W115 PolarHBondContact O-N 3.23Å; K112-W115 PolarHBondContact O-N 2.76Å; W115-Y117 VanDerWaalsContact C-N 3.32Å; W115-Y117 PolarHBondContact O-N 3.38Å; W115-M118 PolarHBondContact O-N 3.43Å; W115-K119 HydrophobicContact CE3-CD 4.36Å; W115-K119 HydrophobicContact CH2-CD 3.71Å; W115-K119 HydrophobicContact CZ2-CD 4.33Å; W115-K119 HydrophobicContact CZ3-CD 3.69Å; W115-K119 WeakPolarHBondContact O-CB 3.45Å; W115-K119 PolarHBondContact O-N 2.96Å; W115-L126 HydrophobicContact CD2-CD1 4.44Å; W115-L126 HydrophobicContact CG-CD1 4.13Å; W115-L126 HydrophobicContact CZ2-CD2 4.43Å; W115-F129 HydrophobicContact CB-CE1 4.47Å; W115-E130 PolarHBondContact NE1-OE1 3.01Å
116	K	71.8	Confident	71.9	Confident	61 Å²	61	85 Å²	85	27%	0.265	42%	0.418	S	S	.	.	H	α-helix	trans	-62.6	-38.9	175.8	-165.3	165	-170.7	163.3	0	111.5	D85 K112 L120	D85-K116 IonicContact OD1-NZ 2.72Å; D85-K116 PolarHBondContact OD1-NZ 2.93Å; D85-K116 IonicContact OD2-NZ 3.68Å; D85-K116 PolarHBondContact OD2-NZ 2.88Å; K112-K116 WeakPolarHBondContact O-CB 3.25Å; K112-K116 PolarHBondContact O-N 2.77Å; K116-L120 HydrophobicContact CG-CD1 4.31Å; K116-L120 WeakPolarHBondContact O-CB 3.38Å; K116-L120 WeakPolarHBondContact O-CD1 3.41Å; K116-L120 VanDerWaalsContact O-CG 3.31Å; K116-L120 WeakPolarHBondContact O-CG 3.44Å; K116-L120 PolarHBondContact O-N 3.24Å
117	Y	74.3	Confident	72.6	Confident	166 Å²	166	77.9 Å²	77.9	65%	0.651	39%	0.393	S	S	*	.	H	α-helix	trans	-68.3	-42.5	175.8	-164.7	-93.4	0	0	0	112.5	H113 I114 W115 L120 A121	H113-Y117 VanDerWaalsContact O-CB 3.24Å; H113-Y117 WeakPolarHBondContact O-CB 3.48Å; H113-Y117 PolarHBondContact O-N 3.5Å; I114-Y117 PolarHBondContact O-N 3.25Å; W115-Y117 VanDerWaalsContact C-N 3.32Å; W115-Y117 PolarHBondContact O-N 3.38Å; Y117-L120 PolarHBondContact O-N 3.4Å; Y117-A121 HydrophobicContact CD1-CB 4.35Å; Y117-A121 HydrophobicContact CE1-CB 4.15Å; Y117-A121 VanDerWaalsContact O-CB 3.3Å; Y117-A121 WeakPolarHBondContact O-CB 3.45Å; Y117-A121 PolarHBondContact O-N 2.72Å
118	M	71.4	Confident	73.5	Confident	30 Å²	30	81.6 Å²	81.6	15%	0.148	41%	0.405	C	S	.	.	H	α-helix	trans	-66.1	-40.4	176.7	-72.3	-173.3	71.3	0	0	111.9	I114 W115 L120 N122 S123 L125 L126 F129	I114-M118 HydrophobicContact CG2-CG 4.23Å; I114-M118 HydrophobicContact CG2-SD 3.86Å; I114-M118 WeakPolarHBondContact O-CB 3.28Å; I114-M118 VanDerWaalsContact O-CG 3.29Å; I114-M118 WeakPolarHBondContact O-CG 3.42Å; I114-M118 PolarHBondContact O-N 2.95Å; W115-M118 PolarHBondContact O-N 3.43Å; M118-L120 VanDerWaalsContact C-N 3.31Å; M118-L120 PolarHBondContact O-N 3.35Å; M118-N122 CarbonylContact O-C 3.02Å; M118-N122 WeakPolarHBondContact O-CA 3.5Å; M118-N122 PolarHBondContact O-N 2.7Å; M118-S123 PolarHBondContact O-N 3.32Å; M118-L125 HydrophobicContact CE-CB 3.37Å; M118-L125 VanDerWaalsContact CE-O 3.3Å; M118-L125 WeakPolarHBondContact CE-O 3.45Å; M118-L126 HydrophobicContact CB-CD1 3.79Å; M118-F129 HydrophobicContact CE-CB 3.69Å; M118-F129 HydrophobicContact CE-CG 4.28Å; M118-F129 HydrophobicContact SD-CB 3.78Å; M118-F129 HydrophobicContact SD-CD1 3.94Å; M118-F129 HydrophobicContact SD-CD2 4.09Å; M118-F129 HydrophobicContact SD-CG 3.67Å
119	K	72.4	Confident	74.1	Confident	56 Å²	56	79.8 Å²	79.8	24%	0.243	40%	0.399	C	S	.	.	H	α-helix	trans	-61.3	-37.5	174.8	-167.9	175.1	-171.9	176.4	0	112.5	I88 W115 L126	I88-K119 HydrophobicContact CG2-CD 4.22Å; W115-K119 HydrophobicContact CE3-CD 4.36Å; W115-K119 HydrophobicContact CH2-CD 3.71Å; W115-K119 HydrophobicContact CZ2-CD 4.33Å; W115-K119 HydrophobicContact CZ3-CD 3.69Å; W115-K119 WeakPolarHBondContact O-CB 3.45Å; W115-K119 PolarHBondContact O-N 2.96Å; K119-L126 HydrophobicContact CB-CD2 4.46Å; K119-L126 HydrophobicContact CG-CD2 4.5Å
120	L	70.3	Confident	74.7	Confident	139 Å²	139	73.8 Å²	73.8	73%	0.728	37%	0.371	S	S	*	.	H	α-helix	trans	-80.4	-39.5	179.5	-73	168.8	0	0	0	114	K116 Y117 M118	K116-L120 HydrophobicContact CG-CD1 4.31Å; K116-L120 WeakPolarHBondContact O-CB 3.38Å; K116-L120 WeakPolarHBondContact O-CD1 3.41Å; K116-L120 VanDerWaalsContact O-CG 3.31Å; K116-L120 WeakPolarHBondContact O-CG 3.44Å; K116-L120 PolarHBondContact O-N 3.24Å; Y117-L120 PolarHBondContact O-N 3.4Å; M118-L120 VanDerWaalsContact C-N 3.31Å; M118-L120 PolarHBondContact O-N 3.35Å
121	A	71.3	Confident	75.3	Confident	54 Å²	54	72.1 Å²	72.1	45%	0.446	37%	0.366	S	S	.	.	H	α-helix	trans	-99.9	-37.1	-171.8	0	0	0	0	0	114.2	Y117	Y117-A121 HydrophobicContact CD1-CB 4.35Å; Y117-A121 HydrophobicContact CE1-CB 4.15Å; Y117-A121 VanDerWaalsContact O-CB 3.3Å; Y117-A121 WeakPolarHBondContact O-CB 3.45Å; Y117-A121 PolarHBondContact O-N 2.72Å
122	N	70	Confident	75.8	Confident	65 Å²	65	76.8 Å²	76.8	35%	0.348	39%	0.388	S	S	.	.			trans	-144.2	64	-167.8	-69.4	-55.9	0	0	0	111.8	M118 H124 L125	M118-N122 CarbonylContact O-C 3.02Å; M118-N122 WeakPolarHBondContact O-CA 3.5Å; M118-N122 PolarHBondContact O-N 2.7Å; N122-H124 PolarHBondContact O-N 3.06Å; N122-L125 HydrophobicContact CB-CB 4.4Å; N122-L125 HydrophobicContact CB-CD1 4Å; N122-L125 HydrophobicContact CB-CG 4.32Å; N122-L125 PolarHBondContact O-N 3.44Å
123	S	72	Confident	76.2	Confident	89 Å²	89	75.5 Å²	75.5	62%	0.622	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.7	-177.5	61.5	0	0	0	0	114.7	M118	M118-S123 PolarHBondContact O-N 3.32Å
124	H	77.1	Confident	76.6	Confident	129 Å²	129	73.9 Å²	73.9	60%	0.597	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.1	177.5	64.2	-83	0	0	0	114.3	N122	N122-H124 PolarHBondContact O-N 3.06Å
125	L	77.1	Confident	77.1	Confident	58 Å²	58	72.9 Å²	72.9	30%	0.304	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-9.7	178.4	-64.6	175.4	0	0	0	113.1	M118 N122 E128 F129	M118-L125 HydrophobicContact CE-CB 3.37Å; M118-L125 VanDerWaalsContact CE-O 3.3Å; M118-L125 WeakPolarHBondContact CE-O 3.45Å; N122-L125 HydrophobicContact CB-CB 4.4Å; N122-L125 HydrophobicContact CB-CD1 4Å; N122-L125 HydrophobicContact CB-CG 4.32Å; N122-L125 PolarHBondContact O-N 3.44Å; L125-E128 WeakPolarHBondContact CD2-OE2 3.28Å; L125-E128 PolarHBondContact O-N 3.2Å; L125-F129 PolarHBondContact O-N 3.05Å; L125-F129 VanDerWaalsContact O-N 3.14Å
126	L	76.7	Confident	77.5	Confident	24 Å²	24	76.5 Å²	76.5	13%	0.126	39%	0.394	C	S	.	.	H	α-helix	trans	-58.7	-43.3	-177.2	-160	71.7	0	0	0	112.9	W115 M118 K119 E128 F129 E130	W115-L126 HydrophobicContact CD2-CD1 4.44Å; W115-L126 HydrophobicContact CG-CD1 4.13Å; W115-L126 HydrophobicContact CZ2-CD2 4.43Å; M118-L126 HydrophobicContact CB-CD1 3.79Å; K119-L126 HydrophobicContact CB-CD2 4.46Å; K119-L126 HydrophobicContact CG-CD2 4.5Å; L126-E128 PolarHBondContact O-N 3.03Å; L126-F129 PolarHBondContact O-N 2.94Å; L126-E130 WeakPolarHBondContact O-CG 3.36Å; L126-E130 PolarHBondContact O-N 2.82Å
127	P	80.3	Confident	77.9	Confident	67 Å²	67	74.2 Å²	74.2	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-64.5	-38.1	177.7	-21.1	34.5	0	0	0	113.1	F129 E130 D131	P127-F129 VanDerWaalsContact C-N 3.34Å; P127-F129 PolarHBondContact O-N 3.26Å; P127-E130 PolarHBondContact O-N 3.36Å; P127-D131 WeakPolarHBondContact O-CB 3.21Å; P127-D131 PolarHBondContact O-N 3.01Å
128	E	81.5	Confident	78.3	Confident	129 Å²	129	73.6 Å²	73.6	60%	0.603	39%	0.385	S	S	*	.	H	α-helix	trans	-66.1	-37.5	179.5	-60.6	-179.6	170.6	0	0	111.5	L125 L126 M132	L125-E128 WeakPolarHBondContact CD2-OE2 3.28Å; L125-E128 PolarHBondContact O-N 3.2Å; L126-E128 PolarHBondContact O-N 3.03Å; E128-M132 WeakPolarHBondContact O-CB 3.23Å; E128-M132 PolarHBondContact O-N 3.38Å
129	F	81.6	Confident	79	Confident	34 Å²	34	79 Å²	79	15%	0.149	41%	0.41	C	S	.	.	H	α-helix	trans	-70.5	-40.4	174.3	179.9	-111.1	0	0	0	112.4	V111 I114 W115 M118 L125 L126 P127 D131 M132 L133	V111-F129 HydrophobicContact CG1-CE1 4.45Å; V111-F129 HydrophobicContact CG1-CZ 4.31Å; I114-F129 HydrophobicContact CB-CZ 4.18Å; I114-F129 HydrophobicContact CG2-CE1 3.9Å; I114-F129 HydrophobicContact CG2-CE2 3.84Å; I114-F129 HydrophobicContact CG2-CZ 3.49Å; I114-F129 VanDerWaalsContact CG2-CZ 3.49Å; W115-F129 HydrophobicContact CB-CE1 4.47Å; M118-F129 HydrophobicContact CE-CB 3.69Å; M118-F129 HydrophobicContact CE-CG 4.28Å; M118-F129 HydrophobicContact SD-CB 3.78Å; M118-F129 HydrophobicContact SD-CD1 3.94Å; M118-F129 HydrophobicContact SD-CD2 4.09Å; M118-F129 HydrophobicContact SD-CG 3.67Å; L125-F129 PolarHBondContact O-N 3.05Å; L125-F129 VanDerWaalsContact O-N 3.14Å; L126-F129 PolarHBondContact O-N 2.94Å; P127-F129 VanDerWaalsContact C-N 3.34Å; P127-F129 PolarHBondContact O-N 3.26Å; F129-D131 VanDerWaalsContact C-N 3.34Å; F129-M132 PolarHBondContact O-N 3.28Å; F129-L133 HydrophobicContact CD1-CD1 3.99Å; F129-L133 HydrophobicContact CE1-CD1 3.48Å; F129-L133 VanDerWaalsContact CE1-CD1 3.48Å; F129-L133 HydrophobicContact CE1-CG 4.21Å; F129-L133 HydrophobicContact CE2-CD1 4.42Å; F129-L133 HydrophobicContact CE2-CG 4.33Å; F129-L133 HydrophobicContact CZ-CD1 3.72Å; F129-L133 HydrophobicContact CZ-CD2 4.33Å; F129-L133 HydrophobicContact CZ-CG 4.09Å; F129-L133 WeakPolarHBondContact O-CG 3.36Å; F129-L133 PolarHBondContact O-N 2.91Å
130	E	79.9	Confident	79.6	Confident	24 Å²	24	79.3 Å²	79.3	11%	0.112	42%	0.417	C	S	.	.	H	α-helix	trans	-65.3	-36.8	174.8	-72.9	173.4	-174.5	0	0	112.2	I95 W115 L126 P127 L133 R134	I95-E130 VanDerWaalsContact CD1-OE1 3.29Å; I95-E130 WeakPolarHBondContact CD1-OE1 3.49Å; I95-E130 HydrophobicContact CG2-CG 4.42Å; W115-E130 PolarHBondContact NE1-OE1 3.01Å; L126-E130 WeakPolarHBondContact O-CG 3.36Å; L126-E130 PolarHBondContact O-N 2.82Å; P127-E130 PolarHBondContact O-N 3.36Å; E130-L133 PolarHBondContact O-N 3.36Å; E130-R134 WeakPolarHBondContact O-CB 3.47Å; E130-R134 WeakPolarHBondContact O-CG 3.43Å; E130-R134 PolarHBondContact O-N 2.93Å
131	D	84.2	Confident	80.2	Confident	90 Å²	90	74.8 Å²	74.8	48%	0.481	39%	0.393	S	S	.	.	H	α-helix	trans	-68.6	-38.3	172.5	-76.8	-13.3	0	0	0	112.5	P127 F129 R134 A135	P127-D131 WeakPolarHBondContact O-CB 3.21Å; P127-D131 PolarHBondContact O-N 3.01Å; F129-D131 VanDerWaalsContact C-N 3.34Å; D131-R134 PolarHBondContact O-N 2.96Å; D131-R134 IonicContact OD1-CZ 2.84Å; D131-R134 VanDerWaalsContact OD1-CZ 3.28Å; D131-R134 IonicContact OD1-NE 2.66Å; D131-R134 PolarHBondContact OD1-NE 3.39Å; D131-R134 VanDerWaalsContact OD1-NE 3.09Å; D131-R134 IonicContact OD1-NH2 3.09Å; D131-R134 PolarHBondContact OD1-NH2 3.18Å; D131-A135 WeakPolarHBondContact O-CB 3.43Å; D131-A135 PolarHBondContact O-N 2.94Å
132	M	84.3	Confident	80.9	Confident	113 Å²	113	75.4 Å²	75.4	56%	0.557	39%	0.391	S	S	*	.	H	α-helix	trans	-62.5	-45.8	172.3	-174.8	-179.8	-64.2	0	0	111.8	E128 F129 A135 I136	E128-M132 WeakPolarHBondContact O-CB 3.23Å; E128-M132 PolarHBondContact O-N 3.38Å; F129-M132 PolarHBondContact O-N 3.28Å; M132-A135 PolarHBondContact O-N 3.48Å; M132-I136 HydrophobicContact CG-CD1 3.82Å; M132-I136 HydrophobicContact CG-CG1 4.48Å; M132-I136 WeakPolarHBondContact O-CG1 3.4Å; M132-I136 PolarHBondContact O-N 3.18Å; M132-I136 HydrophobicContact SD-CD1 4.48Å
133	L	81.3	Confident	81.8	Confident	29 Å²	29	74.9 Å²	74.9	15%	0.152	40%	0.396	C	S	.	.	H	α-helix	trans	-63.5	-42.8	176	-73.7	177.6	0	0	0	111.8	L99 V111 F129 E130 A135 M137	L99-L133 HydrophobicContact CD1-CB 4.49Å; V111-L133 HydrophobicContact CG1-CD1 3.79Å; V111-L133 HydrophobicContact CG1-CD2 4.4Å; F129-L133 HydrophobicContact CD1-CD1 3.99Å; F129-L133 HydrophobicContact CE1-CD1 3.48Å; F129-L133 VanDerWaalsContact CE1-CD1 3.48Å; F129-L133 HydrophobicContact CE1-CG 4.21Å; F129-L133 HydrophobicContact CE2-CD1 4.42Å; F129-L133 HydrophobicContact CE2-CG 4.33Å; F129-L133 HydrophobicContact CZ-CD1 3.72Å; F129-L133 HydrophobicContact CZ-CD2 4.33Å; F129-L133 HydrophobicContact CZ-CG 4.09Å; F129-L133 WeakPolarHBondContact O-CG 3.36Å; F129-L133 PolarHBondContact O-N 2.91Å; E130-L133 PolarHBondContact O-N 3.36Å; L133-A135 VanDerWaalsContact C-N 3.33Å; L133-A135 PolarHBondContact O-N 3.13Å; L133-M137 VanDerWaalsContact O-CB 3.24Å; L133-M137 WeakPolarHBondContact O-CB 3.44Å; L133-M137 PolarHBondContact O-N 3.2Å
134	R	80.6	Confident	82.5	Confident	109 Å²	109	75.6 Å²	75.6	41%	0.411	39%	0.385	S	S	.	.	H	α-helix	trans	-57.9	-43.1	172.5	-82	-174.6	-79.9	-119.9	-0.4	112	L99 E130 D131 K138	L99-R134 HydrophobicContact CD2-CB 4.45Å; L99-R134 HydrophobicContact CD2-CG 3.82Å; E130-R134 WeakPolarHBondContact O-CB 3.47Å; E130-R134 WeakPolarHBondContact O-CG 3.43Å; E130-R134 PolarHBondContact O-N 2.93Å; D131-R134 PolarHBondContact O-N 2.96Å; D131-R134 IonicContact OD1-CZ 2.84Å; D131-R134 VanDerWaalsContact OD1-CZ 3.28Å; D131-R134 IonicContact OD1-NE 2.66Å; D131-R134 PolarHBondContact OD1-NE 3.39Å; D131-R134 VanDerWaalsContact OD1-NE 3.09Å; D131-R134 IonicContact OD1-NH2 3.09Å; D131-R134 PolarHBondContact OD1-NH2 3.18Å; R134-K138 VanDerWaalsContact O-CB 3.23Å; R134-K138 WeakPolarHBondContact O-CB 3.31Å; R134-K138 PolarHBondContact O-N 3.33Å
135	A	85	Confident	83	Confident	57 Å²	57	72.8 Å²	72.8	47%	0.471	38%	0.377	S	S	.	.	H	α-helix	trans	-65.6	-52.1	178.7	0	0	0	0	0	112.1	D131 M132 L133 M137 K138 E139	D131-A135 WeakPolarHBondContact O-CB 3.43Å; D131-A135 PolarHBondContact O-N 2.94Å; M132-A135 PolarHBondContact O-N 3.48Å; L133-A135 VanDerWaalsContact C-N 3.33Å; L133-A135 PolarHBondContact O-N 3.13Å; A135-M137 PolarHBondContact O-N 3.39Å; A135-K138 PolarHBondContact O-N 3.01Å; A135-E139 PolarHBondContact O-N 3.1Å
136	I	84.3	Confident	83.7	Confident	83 Å²	83	75.8 Å²	75.8	43%	0.426	39%	0.389	S	S	.	.	H	α-helix	trans	-60.5	-46.2	179.5	-67.6	169.5	0	0	0	110.8	M132 K138 E139 V140	M132-I136 HydrophobicContact CG-CD1 3.82Å; M132-I136 HydrophobicContact CG-CG1 4.48Å; M132-I136 WeakPolarHBondContact O-CG1 3.4Å; M132-I136 PolarHBondContact O-N 3.18Å; M132-I136 HydrophobicContact SD-CD1 4.48Å; I136-K138 VanDerWaalsContact C-N 3.34Å; I136-K138 PolarHBondContact O-N 2.87Å; I136-E139 PolarHBondContact O-N 3.46Å; I136-V140 HydrophobicContact CG2-CG2 4.37Å; I136-V140 WeakPolarHBondContact O-CG2 3.35Å; I136-V140 PolarHBondContact O-N 2.9Å
137	M	80.5	Confident	84.3	Confident	14 Å²	14	82 Å²	82	7%	0.069	41%	0.412	C	S	.	.	H	α-helix	trans	-66.7	-36.2	-179.9	-176.8	170.3	-85.9	0	0	112.3	L99 D100 V104 L133 A135 N141	L99-M137 WeakPolarHBondContact CA-SD 3.4Å; L99-M137 HydrophobicContact CB-CE 4.19Å; L99-M137 HydrophobicContact CB-SD 3.58Å; L99-M137 VanDerWaalsContact CB-SD 3.58Å; L99-M137 HydrophobicContact CD2-CB 4.18Å; L99-M137 HydrophobicContact CD2-CG 4.42Å; L99-M137 HydrophobicContact CD2-SD 3.61Å; L99-M137 HydrophobicContact CG-SD 4.24Å; L99-M137 VanDerWaalsContact O-CE 3.29Å; L99-M137 WeakPolarHBondContact O-CE 3.45Å; D100-M137 HydrophobicContact CB-SD 4.42Å; D100-M137 PolarHBondContact N-SD 2.95Å; D100-M137 VanDerWaalsContact O-CE 3.23Å; D100-M137 WeakPolarHBondContact O-CE 3.19Å; V104-M137 HydrophobicContact CB-CE 3.85Å; V104-M137 HydrophobicContact CG1-CE 4.29Å; V104-M137 HydrophobicContact CG2-CE 3.97Å; V104-M137 HydrophobicContact CG2-CG 4.35Å; L133-M137 VanDerWaalsContact O-CB 3.24Å; L133-M137 WeakPolarHBondContact O-CB 3.44Å; L133-M137 PolarHBondContact O-N 3.2Å; A135-M137 PolarHBondContact O-N 3.39Å; M137-N141 VanDerWaalsContact O-CB 3.31Å; M137-N141 WeakPolarHBondContact O-CB 3.41Å; M137-N141 PolarHBondContact O-N 3.49Å; M137-N141 PolarHBondContact O-ND2 2.92Å
138	K	83.7	Confident	84.8	Confident	153 Å²	153	82 Å²	82	67%	0.665	41%	0.407	S	S	*	.	H	α-helix	trans	-63	-42.9	172.2	-177.4	-177.7	177	-174.2	0	111.5	R134 A135 I136 T142	R134-K138 VanDerWaalsContact O-CB 3.23Å; R134-K138 WeakPolarHBondContact O-CB 3.31Å; R134-K138 PolarHBondContact O-N 3.33Å; A135-K138 PolarHBondContact O-N 3.01Å; I136-K138 VanDerWaalsContact C-N 3.34Å; I136-K138 PolarHBondContact O-N 2.87Å; K138-T142 WeakPolarHBondContact O-CB 3.36Å; K138-T142 PolarHBondContact O-N 2.97Å; K138-T142 PolarHBondContact O-OG1 3.34Å
139	E	85.6	Confident	85.4	Confident	143 Å²	143	79.6 Å²	79.6	67%	0.668	40%	0.397	S	S	*	.	H	α-helix	trans	-65.8	-46.2	178.7	-170.1	168.4	-164.2	0	0	111.6	A135 I136 N141 T142 A143	A135-E139 PolarHBondContact O-N 3.1Å; I136-E139 PolarHBondContact O-N 3.46Å; E139-N141 PolarHBondContact O-N 3.32Å; E139-T142 PolarHBondContact O-N 3.36Å; E139-A143 PolarHBondContact O-N 2.82Å
140	V	83.9	Confident	85.9	Confident	63 Å²	63	83.6 Å²	83.6	38%	0.382	42%	0.418	S	S	.	.	H	α-helix	trans	-60.5	-45.8	175.1	173.2	0	0	0	0	111.7	V104 I136 T142 A143 R144	V104-V140 HydrophobicContact CG1-CB 4.34Å; V104-V140 HydrophobicContact CG1-CG1 4.07Å; V104-V140 HydrophobicContact CG1-CG2 4.38Å; V104-V140 HydrophobicContact CG2-CG1 4.06Å; I136-V140 HydrophobicContact CG2-CG2 4.37Å; I136-V140 WeakPolarHBondContact O-CG2 3.35Å; I136-V140 PolarHBondContact O-N 2.9Å; V140-T142 VanDerWaalsContact C-N 3.33Å; V140-T142 PolarHBondContact O-N 3.25Å; V140-A143 PolarHBondContact O-N 2.91Å; V140-R144 WeakPolarHBondContact O-CB 3.33Å; V140-R144 PolarHBondContact O-N 3.17Å
141	N	83.4	Confident	86.5	Confident	44 Å²	44	86.6 Å²	86.6	24%	0.235	43%	0.432	C	S	.	.	H	α-helix	trans	-66.3	-34.4	177.4	-80.3	-25.7	0	0	0	112.4	M137 E139 R144 V145	M137-N141 VanDerWaalsContact O-CB 3.31Å; M137-N141 WeakPolarHBondContact O-CB 3.41Å; M137-N141 PolarHBondContact O-N 3.49Å; M137-N141 PolarHBondContact O-ND2 2.92Å; E139-N141 PolarHBondContact O-N 3.32Å; N141-R144 PolarHBondContact O-N 3.45Å; N141-V145 WeakPolarHBondContact O-CG2 3.41Å; N141-V145 PolarHBondContact O-N 3.46Å
142	T	86.8	Confident	86.9	Confident	66 Å²	66	88.2 Å²	88.2	41%	0.405	43%	0.431	S	S	.	.	H	α-helix	trans	-64.6	-50.1	174.2	-54.6	0	0	0	0	110.4	K138 E139 V140 R144 V145 E146	K138-T142 WeakPolarHBondContact O-CB 3.36Å; K138-T142 PolarHBondContact O-N 2.97Å; K138-T142 PolarHBondContact O-OG1 3.34Å; E139-T142 PolarHBondContact O-N 3.36Å; V140-T142 VanDerWaalsContact C-N 3.33Å; V140-T142 PolarHBondContact O-N 3.25Å; T142-R144 VanDerWaalsContact C-N 3.3Å; T142-R144 PolarHBondContact O-N 3.12Å; T142-V145 PolarHBondContact O-N 2.97Å; T142-E146 WeakPolarHBondContact O-CG 3.37Å; T142-E146 PolarHBondContact O-N 3.4Å
143	A	87.6	Confident	87.4	Confident	54 Å²	54	89.7 Å²	89.7	45%	0.446	44%	0.439	S	S	.	.	H	α-helix	trans	-61.4	-35.5	177	0	0	0	0	0	112.8	E139 V140 E146 Y147	E139-A143 PolarHBondContact O-N 2.82Å; V140-A143 PolarHBondContact O-N 2.91Å; A143-E146 PolarHBondContact O-N 3.02Å; A143-Y147 WeakPolarHBondContact O-CB 3.26Å; A143-Y147 PolarHBondContact O-N 3.4Å
144	R	86.5	Confident	88	Confident	105 Å²	105	92.7 Å²	92.7	40%	0.396	45%	0.454	S	S	.	.	H	α-helix	trans	-65.1	-46.1	175.2	-157.9	-171.4	92	-157	7.1	111.7	V140 N141 T142 E146 Y147 E148	V140-R144 WeakPolarHBondContact O-CB 3.33Å; V140-R144 PolarHBondContact O-N 3.17Å; N141-R144 PolarHBondContact O-N 3.45Å; T142-R144 VanDerWaalsContact C-N 3.3Å; T142-R144 PolarHBondContact O-N 3.12Å; R144-E146 VanDerWaalsContact C-N 3.32Å; R144-E146 PolarHBondContact O-N 3.47Å; R144-Y147 PolarHBondContact O-N 3.49Å; R144-E148 IonicContact CZ-OE1 2.82Å; R144-E148 IonicContact NE-OE1 3.94Å; R144-E148 PolarHBondContact NE-OE1 3.19Å; R144-E148 IonicContact NH2-OE1 3.8Å; R144-E148 PolarHBondContact NH2-OE1 2.87Å; R144-E148 WeakPolarHBondContact O-CG 3.21Å; R144-E148 PolarHBondContact O-N 3.32Å
145	V	89.2	Confident	88.6	Confident	69 Å²	69	92.2 Å²	92.2	42%	0.418	46%	0.456	S	S	.	.	H	α-helix	trans	-64.2	-37.6	176.4	170.3	0	0	0	0	111.4	N141 T142 N149	N141-V145 WeakPolarHBondContact O-CG2 3.41Å; N141-V145 PolarHBondContact O-N 3.46Å; T142-V145 PolarHBondContact O-N 2.97Å; V145-N149 VanDerWaalsContact O-CB 3.29Å; V145-N149 WeakPolarHBondContact O-CB 3.4Å; V145-N149 PolarHBondContact O-N 3.13Å; V145-N149 PolarHBondContact O-ND2 3.26Å; V145-N149 VanDerWaalsContact O-ND2 3.08Å
146	E	90.8	Very high	89	Confident	122 Å²	122	94.2 Å²	94.2	57%	0.57	46%	0.459	S	S	*	.	H	α-helix	trans	-63.6	-42.9	172.7	-73.1	178.8	-178.9	0	0	112.2	T142 A143 R144 N149 M150	T142-E146 WeakPolarHBondContact O-CG 3.37Å; T142-E146 PolarHBondContact O-N 3.4Å; A143-E146 PolarHBondContact O-N 3.02Å; R144-E146 VanDerWaalsContact C-N 3.32Å; R144-E146 PolarHBondContact O-N 3.47Å; E146-N149 PolarHBondContact O-N 3.04Å; E146-M150 WeakPolarHBondContact O-CB 3.43Å; E146-M150 PolarHBondContact O-N 2.97Å
147	Y	90.5	Very high	89.5	Confident	155 Å²	155	96.8 Å²	96.8	61%	0.608	47%	0.467	S	S	*	.	H	α-helix	trans	-62.2	-50	174.2	-175.2	-86.7	0	0	0	111.9	A143 R144 N149 M150 E151	A143-Y147 WeakPolarHBondContact O-CB 3.26Å; A143-Y147 PolarHBondContact O-N 3.4Å; R144-Y147 PolarHBondContact O-N 3.49Å; Y147-N149 VanDerWaalsContact C-N 3.26Å; Y147-N149 PolarHBondContact O-N 2.86Å; Y147-M150 PolarHBondContact O-N 3.33Å; Y147-M150 VanDerWaalsContact O-N 3.11Å; Y147-E151 WeakPolarHBondContact O-CB 3.34Å; Y147-E151 PolarHBondContact O-N 3.41Å
148	E	90.8	Very high	90.1	Very high	67 Å²	67	100 Å²	100	31%	0.313	48%	0.484	S	S	.	.	H	α-helix	trans	-60.9	-32.6	177.3	-71.4	172.3	-157.4	0	0	112.6	R144 R152	R144-E148 IonicContact CZ-OE1 2.82Å; R144-E148 IonicContact NE-OE1 3.94Å; R144-E148 PolarHBondContact NE-OE1 3.19Å; R144-E148 IonicContact NH2-OE1 3.8Å; R144-E148 PolarHBondContact NH2-OE1 2.87Å; R144-E148 WeakPolarHBondContact O-CG 3.21Å; R144-E148 PolarHBondContact O-N 3.32Å; E148-R152 WeakPolarHBondContact O-CB 3.47Å; E148-R152 WeakPolarHBondContact O-CG 3.49Å; E148-R152 PolarHBondContact O-N 3.43Å; E148-R152 PolarHBondContact O-NE 3.2Å
149	N	92.9	Very high	90.6	Very high	77 Å²	77	98.8 Å²	98.8	41%	0.412	48%	0.482	S	S	.	.	H	α-helix	trans	-73	-42.2	173.4	-76.5	-31.2	0	0	0	111.5	V145 E146 Y147 R152 M153	V145-N149 VanDerWaalsContact O-CB 3.29Å; V145-N149 WeakPolarHBondContact O-CB 3.4Å; V145-N149 PolarHBondContact O-N 3.13Å; V145-N149 PolarHBondContact O-ND2 3.26Å; V145-N149 VanDerWaalsContact O-ND2 3.08Å; E146-N149 PolarHBondContact O-N 3.04Å; Y147-N149 VanDerWaalsContact C-N 3.26Å; Y147-N149 PolarHBondContact O-N 2.86Å; N149-R152 PolarHBondContact O-N 2.92Å; N149-R152 VanDerWaalsContact OD1-CZ 3.32Å; N149-R152 PolarHBondContact OD1-NH1 3.02Å; N149-R152 PolarHBondContact OD1-NH2 2.94Å; N149-M153 WeakPolarHBondContact O-CB 3.25Å; N149-M153 PolarHBondContact O-N 3.37Å
150	M	92.4	Very high	91	Very high	119 Å²	119	98.4 Å²	98.4	59%	0.586	48%	0.478	S	S	*	.	H	α-helix	trans	-66.5	-42.2	178.7	-169.4	-178.1	-57.8	0	0	111.5	E146 Y147 M153 I154	E146-M150 WeakPolarHBondContact O-CB 3.43Å; E146-M150 PolarHBondContact O-N 2.97Å; Y147-M150 PolarHBondContact O-N 3.33Å; Y147-M150 VanDerWaalsContact O-N 3.11Å; M150-M153 WeakPolarHBondContact O-CB 3.32Å; M150-M153 PolarHBondContact O-N 2.94Å; M150-M153 VanDerWaalsContact O-N 3.13Å; M150-I154 HydrophobicContact CG-CD1 4.12Å; M150-I154 WeakPolarHBondContact O-CG1 3.4Å; M150-I154 PolarHBondContact O-N 3.09Å
151	E	92.3	Very high	91.3	Very high	87 Å²	87	100.3 Å²	100.3	41%	0.407	48%	0.483	S	S	.	.	H	α-helix	trans	-60.1	-47.8	174.9	-175.2	174.9	-168.6	0	0	111.1	Y147 M153 I154 Q155	Y147-E151 WeakPolarHBondContact O-CB 3.34Å; Y147-E151 PolarHBondContact O-N 3.41Å; E151-M153 VanDerWaalsContact C-N 3.29Å; E151-M153 PolarHBondContact O-N 3.11Å; E151-I154 PolarHBondContact O-N 2.95Å; E151-Q155 WeakPolarHBondContact O-CG 3.48Å; E151-Q155 PolarHBondContact O-N 3.07Å; E151-Q155 PolarHBondContact OE1-NE2 3.37Å
152	R	93.5	Very high	91.8	Very high	123 Å²	123	102.7 Å²	102.7	46%	0.464	50%	0.496	S	S	.	.	H	α-helix	trans	-60.1	-36.1	172.5	-81.7	179.8	-78.5	141.7	-4.9	112.8	E148 N149 N156	E148-R152 WeakPolarHBondContact O-CB 3.47Å; E148-R152 WeakPolarHBondContact O-CG 3.49Å; E148-R152 PolarHBondContact O-N 3.43Å; E148-R152 PolarHBondContact O-NE 3.2Å; N149-R152 PolarHBondContact O-N 2.92Å; N149-R152 VanDerWaalsContact OD1-CZ 3.32Å; N149-R152 PolarHBondContact OD1-NH1 3.02Å; N149-R152 PolarHBondContact OD1-NH2 2.94Å; R152-N156 WeakPolarHBondContact O-CB 3.39Å; R152-N156 VanDerWaalsContact O-CG 3.29Å; R152-N156 PolarHBondContact O-N 2.84Å; R152-N156 PolarHBondContact O-ND2 3.25Å
153	M	94.3	Very high	92.2	Very high	145 Å²	145	105.5 Å²	105.5	71%	0.714	50%	0.504	S	S	*	.	H	α-helix	trans	-68.3	-39.5	176.7	-164.3	-178.9	-162.4	0	0	112	N149 M150 E151 K157	N149-M153 WeakPolarHBondContact O-CB 3.25Å; N149-M153 PolarHBondContact O-N 3.37Å; M150-M153 WeakPolarHBondContact O-CB 3.32Å; M150-M153 PolarHBondContact O-N 2.94Å; M150-M153 VanDerWaalsContact O-N 3.13Å; E151-M153 VanDerWaalsContact C-N 3.29Å; E151-M153 PolarHBondContact O-N 3.11Å; M153-K157 WeakPolarHBondContact O-CB 3.31Å; M153-K157 PolarHBondContact O-N 2.91Å
154	I	92.7	Very high	92.5	Very high	92 Å²	92	109.1 Å²	109.1	47%	0.472	51%	0.512	S	S	.	.	H	α-helix	trans	-66.1	-48.9	175.9	-69.5	165	0	0	0	110.4	M150 E151 N156 K157 I158	M150-I154 HydrophobicContact CG-CD1 4.12Å; M150-I154 WeakPolarHBondContact O-CG1 3.4Å; M150-I154 PolarHBondContact O-N 3.09Å; E151-I154 PolarHBondContact O-N 2.95Å; I154-N156 PolarHBondContact O-N 2.89Å; I154-K157 PolarHBondContact O-N 3.4Å; I154-K157 VanDerWaalsContact O-N 3.08Å; I154-I158 HydrophobicContact CG2-CD1 3.75Å; I154-I158 HydrophobicContact CG2-CG1 4.41Å; I154-I158 WeakPolarHBondContact O-CG1 3.31Å; I154-I158 PolarHBondContact O-N 3.35Å
155	Q	94	Very high	92.8	Very high	98 Å²	98	109 Å²	109	46%	0.458	52%	0.519	S	S	.	.	H	α-helix	trans	-57.8	-47.5	177.3	-70.9	174.7	4.6	0	0	111.5	E151 K157 I158 M159	E151-Q155 WeakPolarHBondContact O-CG 3.48Å; E151-Q155 PolarHBondContact O-N 3.07Å; E151-Q155 PolarHBondContact OE1-NE2 3.37Å; Q155-K157 VanDerWaalsContact C-N 3.27Å; Q155-K157 PolarHBondContact O-N 3.48Å; Q155-I158 PolarHBondContact O-N 3Å; Q155-M159 WeakPolarHBondContact O-CG 3.32Å; Q155-M159 PolarHBondContact O-N 3.29Å
156	N	94.1	Very high	93.1	Very high	99 Å²	99	111.7 Å²	111.7	53%	0.529	53%	0.526	S	S	.	.	H	α-helix	trans	-61.5	-32.4	175.4	-78.7	-48.3	0	0	0	113.3	R152 I154 K160	R152-N156 WeakPolarHBondContact O-CB 3.39Å; R152-N156 VanDerWaalsContact O-CG 3.29Å; R152-N156 PolarHBondContact O-N 2.84Å; R152-N156 PolarHBondContact O-ND2 3.25Å; I154-N156 PolarHBondContact O-N 2.89Å; N156-K160 WeakPolarHBondContact O-CG 3.35Å; N156-K160 PolarHBondContact O-N 2.9Å
157	K	93.7	Very high	93.3	Very high	137 Å²	137	109.8 Å²	109.8	60%	0.596	52%	0.52	S	S	*	.	H	α-helix	trans	-74.2	-41.9	176.8	-172.5	174.6	179.5	-179.8	0	111.7	M153 I154 Q155 K160 Q161	M153-K157 WeakPolarHBondContact O-CB 3.31Å; M153-K157 PolarHBondContact O-N 2.91Å; I154-K157 PolarHBondContact O-N 3.4Å; I154-K157 VanDerWaalsContact O-N 3.08Å; Q155-K157 VanDerWaalsContact C-N 3.27Å; Q155-K157 PolarHBondContact O-N 3.48Å; K157-K160 PolarHBondContact O-N 2.93Å; K157-Q161 WeakPolarHBondContact O-CG 3.39Å; K157-Q161 PolarHBondContact O-N 3.49Å
158	I	93.8	Very high	93.4	Very high	83 Å²	83	106.6 Å²	106.6	43%	0.426	51%	0.513	S	S	.	.	H	α-helix	trans	-60.4	-49.3	175.2	-67.9	167.9	0	0	0	109.8	I154 Q155 K160 Q161 D162	I154-I158 HydrophobicContact CG2-CD1 3.75Å; I154-I158 HydrophobicContact CG2-CG1 4.41Å; I154-I158 WeakPolarHBondContact O-CG1 3.31Å; I154-I158 PolarHBondContact O-N 3.35Å; Q155-I158 PolarHBondContact O-N 3Å; I158-K160 VanDerWaalsContact C-N 3.29Å; I158-K160 PolarHBondContact O-N 3.27Å; I158-Q161 PolarHBondContact O-N 2.89Å; I158-D162 PolarHBondContact O-N 3.07Å
159	M	93.6	Very high	93.6	Very high	127 Å²	127	106.5 Å²	106.5	63%	0.626	52%	0.517	S	S	*	.	H	α-helix	trans	-56.7	-39.9	178.4	-71.7	-178.5	70	0	0	113.3	Q155 D162 E163	Q155-M159 WeakPolarHBondContact O-CG 3.32Å; Q155-M159 PolarHBondContact O-N 3.29Å; M159-D162 PolarHBondContact O-N 3.26Å; M159-E163 WeakPolarHBondContact O-CB 3.42Å; M159-E163 PolarHBondContact O-N 3.42Å
160	K	93.8	Very high	93.6	Very high	134 Å²	134	108.6 Å²	108.6	58%	0.583	53%	0.525	S	S	*	.	H	α-helix	trans	-67.8	-39.4	175	-74.1	-178.8	176.9	-167.9	0	112.9	N156 K157 I158 D162 E163 E164	N156-K160 WeakPolarHBondContact O-CG 3.35Å; N156-K160 PolarHBondContact O-N 2.9Å; K157-K160 PolarHBondContact O-N 2.93Å; I158-K160 VanDerWaalsContact C-N 3.29Å; I158-K160 PolarHBondContact O-N 3.27Å; K160-D162 VanDerWaalsContact C-N 3.34Å; K160-E163 PolarHBondContact O-N 3.49Å; K160-E164 WeakPolarHBondContact O-CB 3.43Å; K160-E164 WeakPolarHBondContact O-CG 3.44Å; K160-E164 PolarHBondContact O-N 2.9Å
161	Q	91.5	Very high	93.8	Very high	103 Å²	103	109.3 Å²	109.3	48%	0.481	53%	0.526	S	S	.	.	H	α-helix	trans	-68.3	-34.8	176.8	-70.1	-176.4	-63.1	0	0	111.9	K157 I158 L165	K157-Q161 WeakPolarHBondContact O-CG 3.39Å; K157-Q161 PolarHBondContact O-N 3.49Å; I158-Q161 PolarHBondContact O-N 2.89Å; Q161-L165 WeakPolarHBondContact O-CB 3.31Å; Q161-L165 PolarHBondContact O-N 3.08Å
162	D	93.8	Very high	93.9	Very high	95 Å²	95	109.3 Å²	109.3	51%	0.508	53%	0.529	S	S	.	.	H	α-helix	trans	-68.8	-37.9	173.3	-70.6	-26.4	0	0	0	111.8	I158 M159 K160 L165 H166	I158-D162 PolarHBondContact O-N 3.07Å; M159-D162 PolarHBondContact O-N 3.26Å; K160-D162 VanDerWaalsContact C-N 3.34Å; D162-L165 PolarHBondContact O-N 3.32Å; D162-H166 WeakPolarHBondContact O-CB 3.23Å; D162-H166 PolarHBondContact O-N 3.24Å
163	E	94.3	Very high	93.9	Very high	124 Å²	124	108.9 Å²	108.9	58%	0.579	53%	0.532	S	S	*	.	H	α-helix	trans	-66.2	-46.8	173.9	-174.4	177.9	-169.1	0	0	111.9	M159 K160 L165 H166 N167	M159-E163 WeakPolarHBondContact O-CB 3.42Å; M159-E163 PolarHBondContact O-N 3.42Å; K160-E163 PolarHBondContact O-N 3.49Å; E163-L165 VanDerWaalsContact C-N 3.34Å; E163-L165 PolarHBondContact O-N 2.91Å; E163-H166 PolarHBondContact O-N 3.48Å; E163-N167 VanDerWaalsContact O-CG 3.28Å; E163-N167 PolarHBondContact O-N 2.93Å; E163-N167 PolarHBondContact O-ND2 2.94Å
164	E	93.7	Very high	94	Very high	131 Å²	131	106.9 Å²	106.9	61%	0.612	52%	0.524	S	S	*	.	H	α-helix	trans	-59.4	-42.5	173.5	-74.5	171.5	-170.4	0	0	111.7	K160 L168	K160-E164 WeakPolarHBondContact O-CB 3.43Å; K160-E164 WeakPolarHBondContact O-CG 3.44Å; K160-E164 PolarHBondContact O-N 2.9Å; E164-L168 WeakPolarHBondContact O-CB 3.36Å; E164-L168 PolarHBondContact O-N 2.58Å; E164-L168 VanDerWaalsContact O-N 3.07Å
165	L	94	Very high	94	Very high	101 Å²	101	106.9 Å²	106.9	53%	0.529	52%	0.522	S	S	.	.	H	α-helix	trans	-66	-39.8	176.3	-178.4	64.1	0	0	0	112	Q161 D162 E163 L168 V169	Q161-L165 WeakPolarHBondContact O-CB 3.31Å; Q161-L165 PolarHBondContact O-N 3.08Å; D162-L165 PolarHBondContact O-N 3.32Å; E163-L165 VanDerWaalsContact C-N 3.34Å; E163-L165 PolarHBondContact O-N 2.91Å; L165-L168 PolarHBondContact O-N 3.13Å; L165-V169 HydrophobicContact CD1-CG2 4.47Å; L165-V169 VanDerWaalsContact O-CG2 3.29Å; L165-V169 WeakPolarHBondContact O-CG2 3.44Å; L165-V169 PolarHBondContact O-N 3.41Å
166	H	94	Very high	94	Very high	126 Å²	126	105.2 Å²	105.2	58%	0.583	52%	0.518	S	S	*	.	H	α-helix	trans	-64.5	-47.2	178.3	-171.6	51.3	0	0	0	111.6	D162 E163 L168 V169 E170	D162-H166 WeakPolarHBondContact O-CB 3.23Å; D162-H166 PolarHBondContact O-N 3.24Å; E163-H166 PolarHBondContact O-N 3.48Å; H166-L168 VanDerWaalsContact C-N 3.34Å; H166-L168 PolarHBondContact O-N 3.2Å; H166-V169 PolarHBondContact O-N 3.14Å; H166-E170 PolarHBondContact O-N 2.92Å
167	N	94.6	Very high	94	Very high	83 Å²	83	105 Å²	105	44%	0.444	52%	0.517	S	S	.	.	H	α-helix	trans	-60.3	-42.4	177	-67.4	-29.3	0	0	0	111.7	E163 V169 E170 E171	E163-N167 VanDerWaalsContact O-CG 3.28Å; E163-N167 PolarHBondContact O-N 2.93Å; E163-N167 PolarHBondContact O-ND2 2.94Å; N167-V169 PolarHBondContact O-N 2.98Å; N167-E170 PolarHBondContact O-N 3.11Å; N167-E171 PolarHBondContact O-N 3.45Å
168	L	93.9	Very high	94.1	Very high	88 Å²	88	103.6 Å²	103.6	46%	0.461	51%	0.512	S	S	.	.	H	α-helix	trans	-65.3	-37.1	176.3	-179.6	62.2	0	0	0	112.5	E164 L165 H166 L172	E164-L168 WeakPolarHBondContact O-CB 3.36Å; E164-L168 PolarHBondContact O-N 2.58Å; E164-L168 VanDerWaalsContact O-N 3.07Å; L165-L168 PolarHBondContact O-N 3.13Å; H166-L168 VanDerWaalsContact C-N 3.34Å; H166-L168 PolarHBondContact O-N 3.2Å; L168-L172 HydrophobicContact CD1-CD1 4.25Å; L168-L172 HydrophobicContact CD1-CG 4.33Å; L168-L172 HydrophobicContact CG-CD1 4.07Å; L168-L172 WeakPolarHBondContact O-CB 3.29Å; L168-L172 VanDerWaalsContact O-CG 3.23Å; L168-L172 WeakPolarHBondContact O-CG 3.33Å; L168-L172 PolarHBondContact O-N 2.58Å
169	V	93.6	Very high	94	Very high	65 Å²	65	104.1 Å²	104.1	39%	0.394	51%	0.513	S	S	.	.	H	α-helix	trans	-67.4	-41.4	175.2	168.7	0	0	0	0	111.1	L165 H166 N167 L172 E173	L165-V169 HydrophobicContact CD1-CG2 4.47Å; L165-V169 VanDerWaalsContact O-CG2 3.29Å; L165-V169 WeakPolarHBondContact O-CG2 3.44Å; L165-V169 PolarHBondContact O-N 3.41Å; H166-V169 PolarHBondContact O-N 3.14Å; N167-V169 PolarHBondContact O-N 2.98Å; V169-L172 PolarHBondContact O-N 2.86Å; V169-E173 HydrophobicContact CG1-CG 4.45Å; V169-E173 WeakPolarHBondContact O-CB 3.46Å; V169-E173 WeakPolarHBondContact O-CG 3.39Å; V169-E173 PolarHBondContact O-N 3.03Å
170	E	94.9	Very high	94	Very high	121 Å²	121	104.2 Å²	104.2	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-63.7	-43.5	176.1	-172.4	173.6	-162.6	0	0	111.8	H166 N167 E173 L174	H166-E170 PolarHBondContact O-N 2.92Å; N167-E170 PolarHBondContact O-N 3.11Å; E170-E173 PolarHBondContact O-N 3.44Å; E170-L174 WeakPolarHBondContact O-CB 3.29Å; E170-L174 PolarHBondContact O-N 3.22Å
171	E	95.3	Very high	94	Very high	133 Å²	133	102 Å²	102	62%	0.621	50%	0.502	S	S	*	.	H	α-helix	trans	-61.9	-44.2	175.2	-173.6	173.4	-163.5	0	0	112	N167 L174 Q175	N167-E171 PolarHBondContact O-N 3.45Å; E171-L174 PolarHBondContact O-N 2.88Å; E171-Q175 PolarHBondContact O-N 2.84Å
172	L	95.3	Very high	94.2	Very high	88 Å²	88	102 Å²	102	46%	0.461	50%	0.502	S	S	.	.	H	α-helix	trans	-66.3	-40.1	176.4	-74.1	171.1	0	0	0	112.6	L168 V169 L174 Q175 V176	L168-L172 HydrophobicContact CD1-CD1 4.25Å; L168-L172 HydrophobicContact CD1-CG 4.33Å; L168-L172 HydrophobicContact CG-CD1 4.07Å; L168-L172 WeakPolarHBondContact O-CB 3.29Å; L168-L172 VanDerWaalsContact O-CG 3.23Å; L168-L172 WeakPolarHBondContact O-CG 3.33Å; L168-L172 PolarHBondContact O-N 2.58Å; V169-L172 PolarHBondContact O-N 2.86Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L172-L174 PolarHBondContact O-N 3.31Å; L172-Q175 PolarHBondContact O-N 2.7Å; L172-V176 VanDerWaalsContact O-CB 3.3Å; L172-V176 WeakPolarHBondContact O-CB 3.42Å; L172-V176 VanDerWaalsContact O-CG2 3.23Å; L172-V176 WeakPolarHBondContact O-CG2 3.23Å; L172-V176 PolarHBondContact O-N 3.37Å
173	E	93.9	Very high	94	Very high	113 Å²	113	102.8 Å²	102.8	53%	0.528	51%	0.505	S	S	.	.	H	α-helix	trans	-63.3	-39.5	174.1	-76.2	-163.5	162.1	0	0	111.2	V169 E170 N177	V169-E173 HydrophobicContact CG1-CG 4.45Å; V169-E173 WeakPolarHBondContact O-CB 3.46Å; V169-E173 WeakPolarHBondContact O-CG 3.39Å; V169-E173 PolarHBondContact O-N 3.03Å; E170-E173 PolarHBondContact O-N 3.44Å; E173-N177 WeakPolarHBondContact O-CB 3.42Å; E173-N177 PolarHBondContact O-N 3.34Å; E173-N177 PolarHBondContact O-ND2 2.7Å
174	L	94.8	Very high	94	Very high	103 Å²	103	101.5 Å²	101.5	54%	0.539	50%	0.498	S	S	.	.	H	α-helix	trans	-65.4	-45.6	176.1	-169.4	124.1	0	0	0	112.1	E170 E171 L172 N177 Q178	E170-L174 WeakPolarHBondContact O-CB 3.29Å; E170-L174 PolarHBondContact O-N 3.22Å; E171-L174 PolarHBondContact O-N 2.88Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L172-L174 PolarHBondContact O-N 3.31Å; L174-N177 PolarHBondContact O-N 3.37Å; L174-Q178 VanDerWaalsContact CD2-NE2 3.29Å; L174-Q178 WeakPolarHBondContact O-CG 3.37Å; L174-Q178 PolarHBondContact O-N 3.38Å
175	Q	94.3	Very high	94	Very high	92 Å²	92	100.4 Å²	100.4	43%	0.43	49%	0.493	S	S	.	.	H	α-helix	trans	-62.1	-46.9	175.4	-176.4	179.6	-12.9	0	0	111.5	E171 L172 N177 Q178 E179	E171-Q175 PolarHBondContact O-N 2.84Å; L172-Q175 PolarHBondContact O-N 2.7Å; Q175-N177 VanDerWaalsContact C-N 3.25Å; Q175-N177 PolarHBondContact O-N 3.1Å; Q175-Q178 PolarHBondContact O-N 3Å; Q175-Q178 VanDerWaalsContact O-N 3.13Å; Q175-E179 HydrophobicContact CG-CG 4.46Å; Q175-E179 PolarHBondContact NE2-OE1 3.16Å; Q175-E179 PolarHBondContact O-N 3.2Å
176	V	93.2	Very high	94	Very high	64 Å²	64	101.4 Å²	101.4	39%	0.388	49%	0.493	S	S	.	.	H	α-helix	trans	-59.8	-36.6	177.6	165.1	0	0	0	0	111.6	L172 K180	L172-V176 VanDerWaalsContact O-CB 3.3Å; L172-V176 WeakPolarHBondContact O-CB 3.42Å; L172-V176 VanDerWaalsContact O-CG2 3.23Å; L172-V176 WeakPolarHBondContact O-CG2 3.23Å; L172-V176 PolarHBondContact O-N 3.37Å; V176-K180 HydrophobicContact CG1-CD 4.01Å; V176-K180 VanDerWaalsContact CG1-CE 3.44Å; V176-K180 VanDerWaalsContact CG1-NZ 3.32Å; V176-K180 WeakPolarHBondContact O-CB 3.49Å; V176-K180 WeakPolarHBondContact O-CD 3.28Å; V176-K180 WeakPolarHBondContact O-CG 3.23Å; V176-K180 PolarHBondContact O-N 2.95Å
177	N	94.8	Very high	93.9	Very high	95 Å²	95	102.1 Å²	102.1	51%	0.508	50%	0.496	S	S	.	.	H	α-helix	trans	-70.8	-38.9	175.8	-71	-28.4	0	0	0	112.2	E173 L174 Q175 E181	E173-N177 WeakPolarHBondContact O-CB 3.42Å; E173-N177 PolarHBondContact O-N 3.34Å; E173-N177 PolarHBondContact O-ND2 2.7Å; L174-N177 PolarHBondContact O-N 3.37Å; Q175-N177 VanDerWaalsContact C-N 3.25Å; Q175-N177 PolarHBondContact O-N 3.1Å; N177-E181 PolarHBondContact O-N 3.08Å; N177-E181 VanDerWaalsContact O-N 3.08Å
178	Q	95	Very high	93.8	Very high	106 Å²	106	101.7 Å²	101.7	50%	0.495	49%	0.492	S	S	.	.	H	α-helix	trans	-64.4	-45.4	174	-71.1	180	13.1	0	0	112.2	L174 Q175 E181 Q182	L174-Q178 VanDerWaalsContact CD2-NE2 3.29Å; L174-Q178 WeakPolarHBondContact O-CG 3.37Å; L174-Q178 PolarHBondContact O-N 3.38Å; Q175-Q178 PolarHBondContact O-N 3Å; Q175-Q178 VanDerWaalsContact O-N 3.13Å; Q178-E181 PolarHBondContact O-N 2.91Å; Q178-Q182 WeakPolarHBondContact O-CG 3.26Å; Q178-Q182 PolarHBondContact O-N 3.45Å
179	E	91.8	Very high	93.9	Very high	95 Å²	95	101.5 Å²	101.5	44%	0.444	49%	0.491	S	S	.	.	H	α-helix	trans	-64.8	-39.9	178.2	-73	-177.8	-167.5	0	0	112	Q175 Q182 L183	Q175-E179 HydrophobicContact CG-CG 4.46Å; Q175-E179 PolarHBondContact NE2-OE1 3.16Å; Q175-E179 PolarHBondContact O-N 3.2Å; E179-Q182 PolarHBondContact O-N 2.89Å; E179-L183 WeakPolarHBondContact O-CB 3.31Å; E179-L183 WeakPolarHBondContact O-CG 3.41Å; E179-L183 PolarHBondContact O-N 3.18Å
180	K	93.6	Very high	93.9	Very high	128 Å²	128	105.2 Å²	105.2	56%	0.557	50%	0.502	S	S	*	.	H	α-helix	trans	-60.4	-45.1	173.5	-78.9	169	-177.6	167.5	0	112.6	V176 L183 K184	V176-K180 HydrophobicContact CG1-CD 4.01Å; V176-K180 VanDerWaalsContact CG1-CE 3.44Å; V176-K180 VanDerWaalsContact CG1-NZ 3.32Å; V176-K180 WeakPolarHBondContact O-CB 3.49Å; V176-K180 WeakPolarHBondContact O-CD 3.28Å; V176-K180 WeakPolarHBondContact O-CG 3.23Å; V176-K180 PolarHBondContact O-N 2.95Å; K180-L183 PolarHBondContact O-N 3.39Å; K180-K184 WeakPolarHBondContact O-CB 3.42Å; K180-K184 PolarHBondContact O-N 3.35Å
181	E	94.2	Very high	93.8	Very high	88 Å²	88	104 Å²	104	41%	0.411	50%	0.496	S	S	.	.	H	α-helix	trans	-66.9	-39.2	179.1	-176.1	55.9	-152.4	0	0	111.3	N177 Q178 K184 Q185	N177-E181 PolarHBondContact O-N 3.08Å; N177-E181 VanDerWaalsContact O-N 3.08Å; Q178-E181 PolarHBondContact O-N 2.91Å; E181-K184 PolarHBondContact O-N 3.32Å; E181-Q185 VanDerWaalsContact O-CG 3.31Å; E181-Q185 WeakPolarHBondContact O-CG 3.31Å; E181-Q185 PolarHBondContact O-N 3.19Å; E181-Q185 PolarHBondContact OE1-NE2 3.05Å
182	Q	94.8	Very high	93.8	Very high	102 Å²	102	103.5 Å²	103.5	48%	0.477	49%	0.488	S	S	.	.	H	α-helix	trans	-63.6	-39.7	172.5	-71.7	-178.6	28.2	0	0	113.1	Q178 E179 K186	Q178-Q182 WeakPolarHBondContact O-CG 3.26Å; Q178-Q182 PolarHBondContact O-N 3.45Å; E179-Q182 PolarHBondContact O-N 2.89Å; Q182-K186 VanDerWaalsContact O-CG 3.31Å; Q182-K186 WeakPolarHBondContact O-CG 3.35Å; Q182-K186 PolarHBondContact O-N 2.9Å; Q182-K186 VanDerWaalsContact O-N 3.1Å
183	L	90.8	Very high	93.7	Very high	112 Å²	112	104.5 Å²	104.5	59%	0.586	49%	0.491	S	S	*	.	H	α-helix	trans	-65.1	-45.5	175.6	-76	170.2	0	0	0	111	E179 K180 Q185 K186 E187	E179-L183 WeakPolarHBondContact O-CB 3.31Å; E179-L183 WeakPolarHBondContact O-CG 3.41Å; E179-L183 PolarHBondContact O-N 3.18Å; K180-L183 PolarHBondContact O-N 3.39Å; L183-Q185 PolarHBondContact O-N 3.14Å; L183-K186 PolarHBondContact O-N 3.42Å; L183-E187 WeakPolarHBondContact O-CB 3.45Å; L183-E187 PolarHBondContact O-N 3.34Å
184	K	93.5	Very high	93.7	Very high	98 Å²	98	104.5 Å²	104.5	43%	0.426	49%	0.494	S	S	.	.	H	α-helix	trans	-58.5	-45.4	176	-177.6	171.8	175.3	-72.4	0	112.1	K180 E181 K186 E187 E188	K180-K184 WeakPolarHBondContact O-CB 3.42Å; K180-K184 PolarHBondContact O-N 3.35Å; E181-K184 PolarHBondContact O-N 3.32Å; K184-K186 VanDerWaalsContact C-N 3.35Å; K184-K186 PolarHBondContact O-N 3.13Å; K184-E187 PolarHBondContact O-N 3.08Å; K184-E188 WeakPolarHBondContact CE-OE1 3.48Å; K184-E188 IonicContact NZ-OE1 2.76Å; K184-E188 PolarHBondContact NZ-OE1 3.31Å; K184-E188 WeakPolarHBondContact O-CG 3.38Å; K184-E188 PolarHBondContact O-N 3.43Å
185	Q	94.3	Very high	93.7	Very high	108 Å²	108	105.6 Å²	105.6	51%	0.505	49%	0.494	S	S	.	.	H	α-helix	trans	-64.5	-36.6	176.7	-71	173.8	15.3	0	0	112.8	E181 L183 L189	E181-Q185 VanDerWaalsContact O-CG 3.31Å; E181-Q185 WeakPolarHBondContact O-CG 3.31Å; E181-Q185 PolarHBondContact O-N 3.19Å; E181-Q185 PolarHBondContact OE1-NE2 3.05Å; L183-Q185 PolarHBondContact O-N 3.14Å; Q185-L189 WeakPolarHBondContact O-CB 3.32Å; Q185-L189 PolarHBondContact O-N 3.36Å
186	K	93.7	Very high	93.7	Very high	121 Å²	121	106.6 Å²	106.6	53%	0.526	50%	0.499	S	S	.	.	H	α-helix	trans	-68.5	-35.7	173.6	-73.9	168.9	-177.7	168.3	0	112.4	Q182 L183 K184 K190	Q182-K186 VanDerWaalsContact O-CG 3.31Å; Q182-K186 WeakPolarHBondContact O-CG 3.35Å; Q182-K186 PolarHBondContact O-N 2.9Å; Q182-K186 VanDerWaalsContact O-N 3.1Å; L183-K186 PolarHBondContact O-N 3.42Å; K184-K186 VanDerWaalsContact C-N 3.35Å; K184-K186 PolarHBondContact O-N 3.13Å; K186-K190 WeakPolarHBondContact O-CG 3.37Å; K186-K190 PolarHBondContact O-N 3Å; K186-K190 VanDerWaalsContact O-N 3.13Å
187	E	90.8	Very high	93.8	Very high	141 Å²	141	108.1 Å²	108.1	66%	0.659	50%	0.502	S	S	*	.	H	α-helix	trans	-69	-48.6	175.9	-171	171.1	-169.1	0	0	111.2	L183 K184 L189 K190 E191	L183-E187 WeakPolarHBondContact O-CB 3.45Å; L183-E187 PolarHBondContact O-N 3.34Å; K184-E187 PolarHBondContact O-N 3.08Å; E187-L189 VanDerWaalsContact C-N 3.28Å; E187-L189 PolarHBondContact O-N 3.15Å; E187-K190 PolarHBondContact O-N 3.3Å; E187-E191 WeakPolarHBondContact O-CB 3.39Å; E187-E191 PolarHBondContact O-N 3.13Å
188	E	94.2	Very high	93.8	Very high	75 Å²	75	108.8 Å²	108.8	35%	0.35	51%	0.505	S	S	.	.	H	α-helix	trans	-60	-34.3	174.7	-73.1	179.5	-164.9	0	0	112.9	K184 R192	K184-E188 WeakPolarHBondContact CE-OE1 3.48Å; K184-E188 IonicContact NZ-OE1 2.76Å; K184-E188 PolarHBondContact NZ-OE1 3.31Å; K184-E188 WeakPolarHBondContact O-CG 3.38Å; K184-E188 PolarHBondContact O-N 3.43Å; E188-R192 WeakPolarHBondContact O-CB 3.41Å; E188-R192 PolarHBondContact O-N 3.31Å; E188-R192 VanDerWaalsContact O-N 3.11Å
189	L	94.6	Very high	93.8	Very high	83 Å²	83	107.5 Å²	107.5	44%	0.435	50%	0.501	S	S	.	.	H	α-helix	trans	-66.4	-51	173.8	-176	69	0	0	0	111.3	Q185 E187 E191 R192 E193	Q185-L189 WeakPolarHBondContact O-CB 3.32Å; Q185-L189 PolarHBondContact O-N 3.36Å; E187-L189 VanDerWaalsContact C-N 3.28Å; E187-L189 PolarHBondContact O-N 3.15Å; L189-E191 VanDerWaalsContact C-N 3.31Å; L189-E191 PolarHBondContact O-N 3.2Å; L189-R192 WeakPolarHBondContact O-CB 3.49Å; L189-R192 PolarHBondContact O-N 3.13Å; L189-R192 VanDerWaalsContact O-N 3.14Å; L189-E193 WeakPolarHBondContact O-CG 3.33Å; L189-E193 PolarHBondContact O-N 2.98Å
190	K	93.9	Very high	94	Very high	143 Å²	143	107.2 Å²	107.2	62%	0.622	50%	0.503	S	S	*	.	H	α-helix	trans	-61.4	-38.8	177.7	-74.6	177	176.7	-173.9	0	112.4	K186 E187 R192 E193 L194	K186-K190 WeakPolarHBondContact O-CG 3.37Å; K186-K190 PolarHBondContact O-N 3Å; K186-K190 VanDerWaalsContact O-N 3.13Å; E187-K190 PolarHBondContact O-N 3.3Å; K190-R192 VanDerWaalsContact C-N 3.32Å; K190-E193 PolarHBondContact O-N 2.89Å; K190-L194 VanDerWaalsContact O-CB 3.26Å; K190-L194 WeakPolarHBondContact O-CB 3.5Å; K190-L194 PolarHBondContact O-N 3.37Å
191	E	92.6	Very high	94.1	Very high	97 Å²	97	106.2 Å²	106.2	45%	0.453	50%	0.499	S	S	.	.	H	α-helix	trans	-64.2	-38.9	176.4	-162.8	-163.5	164.1	0	0	111.1	E187 L189 K195	E187-E191 WeakPolarHBondContact O-CB 3.39Å; E187-E191 PolarHBondContact O-N 3.13Å; L189-E191 VanDerWaalsContact C-N 3.31Å; L189-E191 PolarHBondContact O-N 3.2Å; E191-K195 HydrophobicContact CG-CD 4.27Å; E191-K195 VanDerWaalsContact O-CB 3.29Å; E191-K195 WeakPolarHBondContact O-CB 3.45Å; E191-K195 WeakPolarHBondContact O-CD 3.38Å; E191-K195 VanDerWaalsContact O-CG 3.23Å; E191-K195 WeakPolarHBondContact O-CG 3.45Å; E191-K195 PolarHBondContact O-N 2.87Å; E191-K195 VanDerWaalsContact OE1-CE 3.23Å; E191-K195 WeakPolarHBondContact OE1-CE 3.4Å; E191-K195 IonicContact OE1-NZ 2.77Å; E191-K195 PolarHBondContact OE1-NZ 2.95Å
192	R	94.9	Very high	94.1	Very high	121 Å²	121	105.1 Å²	105.1	46%	0.457	50%	0.498	S	S	.	.	H	α-helix	trans	-66.2	-49	175.1	-169.8	-177.7	-57	101.9	7.8	111.7	E188 L189 K190 L194 K195 E196	E188-R192 WeakPolarHBondContact O-CB 3.41Å; E188-R192 PolarHBondContact O-N 3.31Å; E188-R192 VanDerWaalsContact O-N 3.11Å; L189-R192 WeakPolarHBondContact O-CB 3.49Å; L189-R192 PolarHBondContact O-N 3.13Å; L189-R192 VanDerWaalsContact O-N 3.14Å; K190-R192 VanDerWaalsContact C-N 3.32Å; R192-L194 PolarHBondContact O-N 3.04Å; R192-K195 PolarHBondContact O-N 3.45Å; R192-E196 WeakPolarHBondContact O-CG 3.18Å; R192-E196 PolarHBondContact O-N 3.41Å
193	E	94.7	Very high	94.1	Very high	109 Å²	109	104.3 Å²	104.3	51%	0.509	49%	0.494	S	S	.	.	H	α-helix	trans	-57.7	-46.5	176.8	-70.7	171.6	170.5	0	0	111.5	L189 K190 K195 E196 E197	L189-E193 WeakPolarHBondContact O-CG 3.33Å; L189-E193 PolarHBondContact O-N 2.98Å; K190-E193 PolarHBondContact O-N 2.89Å; E193-K195 PolarHBondContact O-N 3.05Å; E193-E196 PolarHBondContact O-N 3.44Å; E193-E197 PolarHBondContact O-N 2.82Å
194	L	93.3	Very high	94.3	Very high	114 Å²	114	104.7 Å²	104.7	60%	0.597	49%	0.493	S	S	*	.	H	α-helix	trans	-65.2	-38.5	178	-174.7	67.2	0	0	0	112.5	K190 R192 L198	K190-L194 VanDerWaalsContact O-CB 3.26Å; K190-L194 WeakPolarHBondContact O-CB 3.5Å; K190-L194 PolarHBondContact O-N 3.37Å; R192-L194 PolarHBondContact O-N 3.04Å; L194-L198 VanDerWaalsContact O-CB 3.28Å; L194-L198 WeakPolarHBondContact O-CB 3.36Å; L194-L198 PolarHBondContact O-N 3.44Å
195	K	94.8	Very high	94.3	Very high	125 Å²	125	107.1 Å²	107.1	54%	0.543	50%	0.503	S	S	.	.	H	α-helix	trans	-65.6	-41.1	174.7	-81.9	169.8	168.7	171.3	0	112	E191 R192 E193 N199	E191-K195 HydrophobicContact CG-CD 4.27Å; E191-K195 VanDerWaalsContact O-CB 3.29Å; E191-K195 WeakPolarHBondContact O-CB 3.45Å; E191-K195 WeakPolarHBondContact O-CD 3.38Å; E191-K195 VanDerWaalsContact O-CG 3.23Å; E191-K195 WeakPolarHBondContact O-CG 3.45Å; E191-K195 PolarHBondContact O-N 2.87Å; E191-K195 VanDerWaalsContact OE1-CE 3.23Å; E191-K195 WeakPolarHBondContact OE1-CE 3.4Å; E191-K195 IonicContact OE1-NZ 2.77Å; E191-K195 PolarHBondContact OE1-NZ 2.95Å; R192-K195 PolarHBondContact O-N 3.45Å; E193-K195 PolarHBondContact O-N 3.05Å; K195-N199 VanDerWaalsContact O-CB 3.23Å; K195-N199 WeakPolarHBondContact O-CB 3.38Å; K195-N199 PolarHBondContact O-N 3.39Å
196	E	95.2	Very high	94.4	Very high	113 Å²	113	107 Å²	107	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-66.1	-44.8	175.9	-74.1	175.8	-162.9	0	0	111.3	R192 E193 L198 N199 N200	R192-E196 WeakPolarHBondContact O-CG 3.18Å; R192-E196 PolarHBondContact O-N 3.41Å; E193-E196 PolarHBondContact O-N 3.44Å; E196-L198 PolarHBondContact O-N 3.04Å; E196-N199 PolarHBondContact O-N 3.22Å; E196-N200 WeakPolarHBondContact O-CB 3.45Å; E196-N200 PolarHBondContact O-N 3.44Å; E196-N200 PolarHBondContact O-ND2 2.9Å
197	E	95.1	Very high	94.5	Very high	97 Å²	97	107.8 Å²	107.8	45%	0.453	51%	0.506	S	S	.	.	H	α-helix	trans	-61.7	-44.3	175.7	-163.7	-163.9	151.7	0	0	112	E193 N200 K201	E193-E197 PolarHBondContact O-N 2.82Å; E197-N200 PolarHBondContact O-N 2.97Å; E197-K201 WeakPolarHBondContact O-CG 3.5Å; E197-K201 PolarHBondContact O-N 3.45Å; E197-K201 WeakPolarHBondContact OE1-CE 3.3Å; E197-K201 IonicContact OE1-NZ 3.15Å; E197-K201 PolarHBondContact OE1-NZ 2.95Å
198	L	94.3	Very high	94.7	Very high	109 Å²	109	106 Å²	106	57%	0.571	50%	0.501	S	S	*	.	H	α-helix	trans	-64.4	-44.1	176.8	-178.2	61.8	0	0	0	111.5	L194 E196 N200 K201 V202	L194-L198 VanDerWaalsContact O-CB 3.28Å; L194-L198 WeakPolarHBondContact O-CB 3.36Å; L194-L198 PolarHBondContact O-N 3.44Å; E196-L198 PolarHBondContact O-N 3.04Å; L198-N200 VanDerWaalsContact C-N 3.35Å; L198-N200 PolarHBondContact O-N 3.49Å; L198-K201 PolarHBondContact O-N 3.31Å; L198-V202 WeakPolarHBondContact O-CG2 3.26Å; L198-V202 PolarHBondContact O-N 3.5Å
199	N	95.2	Very high	94.7	Very high	78 Å²	78	107.4 Å²	107.4	42%	0.417	51%	0.51	S	S	.	.	H	α-helix	trans	-62	-41.7	176.7	175.3	79	0	0	0	111.7	K195 E196 V202 Q203	K195-N199 VanDerWaalsContact O-CB 3.23Å; K195-N199 WeakPolarHBondContact O-CB 3.38Å; K195-N199 PolarHBondContact O-N 3.39Å; E196-N199 PolarHBondContact O-N 3.22Å; N199-V202 PolarHBondContact O-N 2.99Å; N199-Q203 PolarHBondContact ND2-NE2 2.91Å; N199-Q203 VanDerWaalsContact ND2-NE2 3.11Å; N199-Q203 WeakPolarHBondContact O-CG 3.34Å; N199-Q203 PolarHBondContact O-N 3.41Å
200	N	95.5	Very high	94.7	Very high	89 Å²	89	107.9 Å²	107.9	48%	0.476	51%	0.513	S	S	.	.	H	α-helix	trans	-61.5	-45.7	175.4	-68.6	-20.8	0	0	0	111.3	E196 E197 L198 V202 Q203 E204	E196-N200 WeakPolarHBondContact O-CB 3.45Å; E196-N200 PolarHBondContact O-N 3.44Å; E196-N200 PolarHBondContact O-ND2 2.9Å; E197-N200 PolarHBondContact O-N 2.97Å; L198-N200 VanDerWaalsContact C-N 3.35Å; L198-N200 PolarHBondContact O-N 3.49Å; N200-V202 VanDerWaalsContact C-N 3.34Å; N200-V202 PolarHBondContact O-N 2.83Å; N200-Q203 PolarHBondContact O-N 2.98Å; N200-E204 WeakPolarHBondContact O-CG 3.3Å; N200-E204 PolarHBondContact O-N 3.06Å
201	K	95	Very high	94.8	Very high	108 Å²	108	105.1 Å²	105.1	47%	0.47	51%	0.505	S	S	.	.	H	α-helix	trans	-61	-38.7	174.9	-77.6	170.1	170.2	170.1	0	112.8	E197 L198 K205	E197-K201 WeakPolarHBondContact O-CG 3.5Å; E197-K201 PolarHBondContact O-N 3.45Å; E197-K201 WeakPolarHBondContact OE1-CE 3.3Å; E197-K201 IonicContact OE1-NZ 3.15Å; E197-K201 PolarHBondContact OE1-NZ 2.95Å; L198-K201 PolarHBondContact O-N 3.31Å; K201-K205 VanDerWaalsContact O-CG 3.29Å; K201-K205 WeakPolarHBondContact O-CG 3.4Å; K201-K205 PolarHBondContact O-N 3.32Å; K201-K205 VanDerWaalsContact O-N 3.07Å
202	V	94.6	Very high	94.9	Very high	65 Å²	65	104.3 Å²	104.3	39%	0.394	50%	0.503	S	S	.	.	H	α-helix	trans	-63.8	-49.4	174.1	169.8	0	0	0	0	110.4	L198 N199 N200 E204 K205 E206	L198-V202 WeakPolarHBondContact O-CG2 3.26Å; L198-V202 PolarHBondContact O-N 3.5Å; N199-V202 PolarHBondContact O-N 2.99Å; N200-V202 VanDerWaalsContact C-N 3.34Å; N200-V202 PolarHBondContact O-N 2.83Å; V202-E204 VanDerWaalsContact C-N 3.31Å; V202-E204 PolarHBondContact O-N 2.94Å; V202-K205 PolarHBondContact O-N 3.02Å; V202-K205 VanDerWaalsContact O-N 3.08Å; V202-E206 HydrophobicContact CG1-CG 4.26Å; V202-E206 WeakPolarHBondContact O-CG 3.42Å; V202-E206 PolarHBondContact O-N 3.49Å
203	Q	95.1	Very high	94.9	Very high	84 Å²	84	101.6 Å²	101.6	39%	0.393	50%	0.5	S	S	.	.	H	α-helix	trans	-61.8	-35.2	178.7	-70.5	-177.4	11.6	0	0	113.3	N199 N200 K207	N199-Q203 PolarHBondContact ND2-NE2 2.91Å; N199-Q203 VanDerWaalsContact ND2-NE2 3.11Å; N199-Q203 WeakPolarHBondContact O-CG 3.34Å; N199-Q203 PolarHBondContact O-N 3.41Å; N200-Q203 PolarHBondContact O-N 2.98Å; Q203-K207 VanDerWaalsContact O-CG 3.31Å; Q203-K207 WeakPolarHBondContact O-CG 3.47Å; Q203-K207 PolarHBondContact O-N 3.39Å; Q203-K207 VanDerWaalsContact O-N 3.09Å
204	E	95.3	Very high	94.9	Very high	121 Å²	121	100.7 Å²	100.7	57%	0.565	50%	0.496	S	S	*	.	H	α-helix	trans	-65	-43.8	171.9	-74.6	179.6	172.1	0	0	112.1	N200 V202 K207 L208	N200-E204 WeakPolarHBondContact O-CG 3.3Å; N200-E204 PolarHBondContact O-N 3.06Å; V202-E204 VanDerWaalsContact C-N 3.31Å; V202-E204 PolarHBondContact O-N 2.94Å; E204-K207 PolarHBondContact O-N 2.98Å; E204-L208 WeakPolarHBondContact O-CG 3.23Å; E204-L208 PolarHBondContact O-N 2.99Å; E204-L208 VanDerWaalsContact O-N 3.07Å
205	K	93.7	Very high	95	Very high	148 Å²	148	101.2 Å²	101.2	64%	0.643	50%	0.495	S	S	*	.	H	α-helix	trans	-68.3	-36.8	177.5	-68.2	-64.8	-179.4	-173.5	0	112.7	K201 V202 L208 L209	K201-K205 VanDerWaalsContact O-CG 3.29Å; K201-K205 WeakPolarHBondContact O-CG 3.4Å; K201-K205 PolarHBondContact O-N 3.32Å; K201-K205 VanDerWaalsContact O-N 3.07Å; V202-K205 PolarHBondContact O-N 3.02Å; V202-K205 VanDerWaalsContact O-N 3.08Å; K205-L208 PolarHBondContact O-N 2.83Å; K205-L209 WeakPolarHBondContact O-CB 3.27Å; K205-L209 PolarHBondContact O-N 2.84Å
206	E	95.2	Very high	94.9	Very high	107 Å²	107	101.9 Å²	101.9	50%	0.5	50%	0.498	S	S	.	.	H	α-helix	trans	-63.6	-42.2	173.4	-73.9	178.3	163.3	0	0	111.9	V202 L209 N210	V202-E206 HydrophobicContact CG1-CG 4.26Å; V202-E206 WeakPolarHBondContact O-CG 3.42Å; V202-E206 PolarHBondContact O-N 3.49Å; E206-L209 PolarHBondContact O-N 3.26Å; E206-N210 WeakPolarHBondContact O-CB 3.25Å; E206-N210 VanDerWaalsContact O-CG 3.28Å; E206-N210 PolarHBondContact O-N 2.95Å; E206-N210 PolarHBondContact O-ND2 2.54Å
207	K	95.7	Very high	94.9	Very high	136 Å²	136	102.6 Å²	102.6	59%	0.591	50%	0.502	S	S	*	.	H	α-helix	trans	-59.9	-50.2	173.3	-74.3	168.6	-175.5	170.3	0	111.7	Q203 E204 L209 N210 D211	Q203-K207 VanDerWaalsContact O-CG 3.31Å; Q203-K207 WeakPolarHBondContact O-CG 3.47Å; Q203-K207 PolarHBondContact O-N 3.39Å; Q203-K207 VanDerWaalsContact O-N 3.09Å; E204-K207 PolarHBondContact O-N 2.98Å; K207-L209 VanDerWaalsContact C-N 3.3Å; K207-L209 PolarHBondContact O-N 2.86Å; K207-N210 PolarHBondContact O-N 2.93Å; K207-D211 PolarHBondContact O-N 2.97Å
208	L	95.8	Very high	94.9	Very high	104 Å²	104	104.4 Å²	104.4	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-61.2	-37.2	178	-70.5	171.1	0	0	0	112.7	E204 K205 L212	E204-L208 WeakPolarHBondContact O-CG 3.23Å; E204-L208 PolarHBondContact O-N 2.99Å; E204-L208 VanDerWaalsContact O-N 3.07Å; K205-L208 PolarHBondContact O-N 2.83Å; L208-L212 VanDerWaalsContact O-CB 3.31Å; L208-L212 WeakPolarHBondContact O-CB 3.34Å; L208-L212 PolarHBondContact O-N 3.37Å
209	L	94.2	Very high	94.9	Very high	104 Å²	104	101.7 Å²	101.7	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-65.6	-45.5	175	-179.1	62.4	0	0	0	111.4	K205 E206 K207 L212 V213	K205-L209 WeakPolarHBondContact O-CB 3.27Å; K205-L209 PolarHBondContact O-N 2.84Å; E206-L209 PolarHBondContact O-N 3.26Å; K207-L209 VanDerWaalsContact C-N 3.3Å; K207-L209 PolarHBondContact O-N 2.86Å; L209-L212 PolarHBondContact O-N 3.11Å; L209-V213 HydrophobicContact CD1-CG2 4.39Å; L209-V213 VanDerWaalsContact O-CG2 3.32Å; L209-V213 WeakPolarHBondContact O-CG2 3.45Å; L209-V213 PolarHBondContact O-N 3.12Å
210	N	95	Very high	94.9	Very high	94 Å²	94	101.2 Å²	101.2	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-62.7	-42.2	177.5	-72.8	-38.3	0	0	0	112.1	E206 K207 L212 V213 Q214	E206-N210 WeakPolarHBondContact O-CB 3.25Å; E206-N210 VanDerWaalsContact O-CG 3.28Å; E206-N210 PolarHBondContact O-N 2.95Å; E206-N210 PolarHBondContact O-ND2 2.54Å; K207-N210 PolarHBondContact O-N 2.93Å; N210-L212 VanDerWaalsContact C-N 3.33Å; N210-L212 PolarHBondContact O-N 3.21Å; N210-V213 PolarHBondContact O-N 2.8Å; N210-Q214 WeakPolarHBondContact O-CG 3.5Å; N210-Q214 PolarHBondContact O-N 3.07Å
211	D	95.5	Very high	94.8	Very high	84 Å²	84	100.7 Å²	100.7	45%	0.449	51%	0.507	S	S	.	.	H	α-helix	trans	-62.5	-40.8	175	-73.8	-17	0	0	0	111.6	K207 Q214 Q215	K207-D211 PolarHBondContact O-N 2.97Å; D211-Q214 PolarHBondContact O-N 2.72Å; D211-Q215 WeakPolarHBondContact O-CG 3.3Å; D211-Q215 PolarHBondContact O-N 3.45Å
212	L	94	Very high	94.8	Very high	81 Å²	81	101.9 Å²	101.9	42%	0.424	51%	0.512	S	S	.	.	H	α-helix	trans	-68.4	-41	177.7	-175.8	62	0	0	0	112	L208 L209 N210 Q215 F216	L208-L212 VanDerWaalsContact O-CB 3.31Å; L208-L212 WeakPolarHBondContact O-CB 3.34Å; L208-L212 PolarHBondContact O-N 3.37Å; L209-L212 PolarHBondContact O-N 3.11Å; N210-L212 VanDerWaalsContact C-N 3.33Å; N210-L212 PolarHBondContact O-N 3.21Å; L212-Q215 WeakPolarHBondContact O-CB 3.36Å; L212-Q215 PolarHBondContact O-N 3.41Å; L212-F216 HydrophobicContact CD1-CD2 4.1Å; L212-F216 HydrophobicContact CD1-CE2 3.7Å; L212-F216 HydrophobicContact CD1-CZ 4.46Å; L212-F216 HydrophobicContact CD2-CE2 4.08Å; L212-F216 HydrophobicContact CG-CD2 3.88Å; L212-F216 HydrophobicContact CG-CE2 3.63Å; L212-F216 VanDerWaalsContact O-CD2 3.25Å; L212-F216 WeakPolarHBondContact O-CD2 3.28Å; L212-F216 PolarHBondContact O-N 3.48Å
213	V	95.5	Very high	94.8	Very high	63 Å²	63	103.1 Å²	103.1	38%	0.382	52%	0.52	S	S	.	.	H	α-helix	trans	-60.7	-46.2	173.5	169.3	0	0	0	0	110.7	L209 N210 Q215 F216 E217	L209-V213 HydrophobicContact CD1-CG2 4.39Å; L209-V213 VanDerWaalsContact O-CG2 3.32Å; L209-V213 WeakPolarHBondContact O-CG2 3.45Å; L209-V213 PolarHBondContact O-N 3.12Å; N210-V213 PolarHBondContact O-N 2.8Å; V213-Q215 VanDerWaalsContact C-N 3.27Å; V213-Q215 PolarHBondContact O-N 3.37Å; V213-F216 PolarHBondContact O-N 3.09Å; V213-F216 VanDerWaalsContact O-N 3.13Å; V213-E217 HydrophobicContact CG1-CG 4.49Å; V213-E217 WeakPolarHBondContact O-CG 3.26Å; V213-E217 PolarHBondContact O-N 3.43Å
214	Q	94.8	Very high	94.8	Very high	91 Å²	91	103.9 Å²	103.9	43%	0.425	52%	0.523	S	S	.	.	H	α-helix	trans	-61.5	-34	174.9	-73.2	-177.5	32.6	0	0	113	N210 D211 K218	N210-Q214 WeakPolarHBondContact O-CG 3.5Å; N210-Q214 PolarHBondContact O-N 3.07Å; D211-Q214 PolarHBondContact O-N 2.72Å; Q214-K218 WeakPolarHBondContact O-CB 3.38Å; Q214-K218 WeakPolarHBondContact O-CD 3.41Å; Q214-K218 WeakPolarHBondContact O-CG 3.29Å; Q214-K218 PolarHBondContact O-N 3Å; Q214-K218 VanDerWaalsContact O-N 3.1Å
215	Q	94.8	Very high	94.7	Very high	125 Å²	125	104 Å²	104	58%	0.584	52%	0.524	S	S	*	.	H	α-helix	trans	-68.2	-42.4	173.8	-74.1	176.1	44.5	0	0	111.5	D211 L212 V213 K218 A219	D211-Q215 WeakPolarHBondContact O-CG 3.3Å; D211-Q215 PolarHBondContact O-N 3.45Å; L212-Q215 WeakPolarHBondContact O-CB 3.36Å; L212-Q215 PolarHBondContact O-N 3.41Å; V213-Q215 VanDerWaalsContact C-N 3.27Å; V213-Q215 PolarHBondContact O-N 3.37Å; Q215-K218 PolarHBondContact O-N 2.99Å; Q215-A219 VanDerWaalsContact O-CB 3.31Å; Q215-A219 WeakPolarHBondContact O-CB 3.48Å; Q215-A219 PolarHBondContact O-N 2.91Å
216	F	93.4	Very high	94.7	Very high	138 Å²	138	101.9 Å²	101.9	61%	0.605	52%	0.519	S	S	*	.	H	α-helix	trans	-63.4	-42.9	174.5	-82	-62.7	0	0	0	112.6	L212 V213 A219 S220	L212-F216 HydrophobicContact CD1-CD2 4.1Å; L212-F216 HydrophobicContact CD1-CE2 3.7Å; L212-F216 HydrophobicContact CD1-CZ 4.46Å; L212-F216 HydrophobicContact CD2-CE2 4.08Å; L212-F216 HydrophobicContact CG-CD2 3.88Å; L212-F216 HydrophobicContact CG-CE2 3.63Å; L212-F216 VanDerWaalsContact O-CD2 3.25Å; L212-F216 WeakPolarHBondContact O-CD2 3.28Å; L212-F216 PolarHBondContact O-N 3.48Å; V213-F216 PolarHBondContact O-N 3.09Å; V213-F216 VanDerWaalsContact O-N 3.13Å; F216-A219 PolarHBondContact O-N 3.2Å; F216-S220 VanDerWaalsContact O-CB 3.32Å; F216-S220 WeakPolarHBondContact O-CB 3.44Å; F216-S220 PolarHBondContact O-N 2.82Å
217	E	94.6	Very high	94.7	Very high	128 Å²	128	101.6 Å²	101.6	60%	0.598	52%	0.518	S	S	*	.	H	α-helix	trans	-60.8	-46.9	175.3	-73.1	179.8	166.2	0	0	111.9	V213 A219 S220 S221	V213-E217 HydrophobicContact CG1-CG 4.49Å; V213-E217 WeakPolarHBondContact O-CG 3.26Å; V213-E217 PolarHBondContact O-N 3.43Å; E217-A219 VanDerWaalsContact C-N 3.35Å; E217-A219 PolarHBondContact O-N 3.01Å; E217-S220 PolarHBondContact O-N 2.97Å; E217-S221 WeakPolarHBondContact O-CB 3.36Å; E217-S221 PolarHBondContact O-N 3.37Å
218	K	95.2	Very high	94.7	Very high	136 Å²	136	100.9 Å²	100.9	59%	0.591	52%	0.515	S	S	*	.	H	α-helix	trans	-61.4	-41.5	175.9	-73.1	165.9	-172.6	162.1	0	112	Q214 Q215 K222	Q214-K218 WeakPolarHBondContact O-CB 3.38Å; Q214-K218 WeakPolarHBondContact O-CD 3.41Å; Q214-K218 WeakPolarHBondContact O-CG 3.29Å; Q214-K218 PolarHBondContact O-N 3Å; Q214-K218 VanDerWaalsContact O-N 3.1Å; Q215-K218 PolarHBondContact O-N 2.99Å; K218-K222 WeakPolarHBondContact O-CB 3.43Å; K218-K222 PolarHBondContact O-N 3.07Å; K218-K222 VanDerWaalsContact O-N 3.12Å
219	A	94.4	Very high	94.6	Very high	52 Å²	52	99 Å²	99	43%	0.43	51%	0.508	S	S	.	.	H	α-helix	trans	-66.2	-45.8	176.8	0	0	0	0	0	111.6	Q215 F216 E217 K222 V223	Q215-A219 VanDerWaalsContact O-CB 3.31Å; Q215-A219 WeakPolarHBondContact O-CB 3.48Å; Q215-A219 PolarHBondContact O-N 2.91Å; F216-A219 PolarHBondContact O-N 3.2Å; E217-A219 VanDerWaalsContact C-N 3.35Å; E217-A219 PolarHBondContact O-N 3.01Å; A219-K222 PolarHBondContact O-N 3.43Å; A219-V223 WeakPolarHBondContact O-CG2 3.49Å; A219-V223 PolarHBondContact O-N 2.87Å
220	S	95	Very high	94.6	Very high	68 Å²	68	102.4 Å²	102.4	48%	0.476	51%	0.514	S	S	.	.	H	α-helix	trans	-60.8	-46.5	178.1	-167.4	0	0	0	0	111.6	F216 E217 K222 V223 E224	F216-S220 VanDerWaalsContact O-CB 3.32Å; F216-S220 WeakPolarHBondContact O-CB 3.44Å; F216-S220 PolarHBondContact O-N 2.82Å; E217-S220 PolarHBondContact O-N 2.97Å; S220-K222 VanDerWaalsContact C-N 3.32Å; S220-K222 PolarHBondContact O-N 3.47Å; S220-V223 PolarHBondContact O-N 3.35Å; S220-V223 VanDerWaalsContact O-N 3.17Å; S220-E224 PolarHBondContact O-N 3.07Å
221	S	94.3	Very high	94.6	Very high	77 Å²	77	102.5 Å²	102.5	54%	0.538	51%	0.512	S	S	.	.	H	α-helix	trans	-59.6	-41.9	176.2	-178	0	0	0	0	112.1	E217 E224 E225	E217-S221 WeakPolarHBondContact O-CB 3.36Å; E217-S221 PolarHBondContact O-N 3.37Å; S221-E224 PolarHBondContact O-N 2.81Å; S221-E225 PolarHBondContact O-N 3.18Å
222	K	95.1	Very high	94.6	Very high	133 Å²	133	101.8 Å²	101.8	58%	0.578	51%	0.514	S	S	*	.	H	α-helix	trans	-67	-35.8	175.7	-171.1	172.4	-176.6	176.4	0	112.8	K218 A219 S220 E225 L226	K218-K222 WeakPolarHBondContact O-CB 3.43Å; K218-K222 PolarHBondContact O-N 3.07Å; K218-K222 VanDerWaalsContact O-N 3.12Å; A219-K222 PolarHBondContact O-N 3.43Å; S220-K222 VanDerWaalsContact C-N 3.32Å; S220-K222 PolarHBondContact O-N 3.47Å; K222-E225 PolarHBondContact O-N 3.5Å; K222-L226 HydrophobicContact CG-CD1 4.2Å; K222-L226 WeakPolarHBondContact O-CB 3.23Å; K222-L226 VanDerWaalsContact O-CG 3.26Å; K222-L226 WeakPolarHBondContact O-CG 3.35Å; K222-L226 PolarHBondContact O-N 2.98Å
223	V	94.4	Very high	94.6	Very high	91 Å²	91	103.1 Å²	103.1	55%	0.552	52%	0.52	S	S	*	.	H	α-helix	trans	-65.4	-43.2	174.2	168.9	0	0	0	0	110.9	A219 S220 E225 L226 Q227	A219-V223 WeakPolarHBondContact O-CG2 3.49Å; A219-V223 PolarHBondContact O-N 2.87Å; S220-V223 PolarHBondContact O-N 3.35Å; S220-V223 VanDerWaalsContact O-N 3.17Å; V223-E225 PolarHBondContact O-N 2.81Å; V223-L226 PolarHBondContact O-N 2.88Å; V223-Q227 WeakPolarHBondContact O-CB 3.36Å; V223-Q227 PolarHBondContact O-N 2.77Å
224	E	94.3	Very high	94.6	Very high	100 Å²	100	102.9 Å²	102.9	47%	0.467	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-41.8	174.3	-75.5	-172.6	-153.5	0	0	113	S220 S221 Q227 K228	S220-E224 PolarHBondContact O-N 3.07Å; S221-E224 PolarHBondContact O-N 2.81Å; E224-Q227 PolarHBondContact O-N 3Å; E224-K228 VanDerWaalsContact O-CG 3.31Å; E224-K228 WeakPolarHBondContact O-CG 3.37Å; E224-K228 PolarHBondContact O-N 2.87Å; E224-K228 IonicContact OE2-NZ 3.8Å; E224-K228 PolarHBondContact OE2-NZ 3Å
225	E	94.4	Very high	94.7	Very high	125 Å²	125	104.8 Å²	104.8	58%	0.584	53%	0.534	S	S	*	.	H	α-helix	trans	-63.1	-46.8	176.7	-173.1	179.5	-163.4	0	0	111.2	S221 K222 V223 Q227 K228 T229	S221-E225 PolarHBondContact O-N 3.18Å; K222-E225 PolarHBondContact O-N 3.5Å; V223-E225 PolarHBondContact O-N 2.81Å; E225-Q227 VanDerWaalsContact C-N 3.29Å; E225-Q227 PolarHBondContact O-N 3.46Å; E225-K228 PolarHBondContact O-N 3.02Å; E225-T229 PolarHBondContact O-N 3.27Å; E225-T229 PolarHBondContact O-OG1 3.18Å
226	L	93.5	Very high	94.6	Very high	103 Å²	103	104.2 Å²	104.2	54%	0.539	53%	0.531	S	S	.	.	H	α-helix	trans	-62.6	-33.8	174.8	-71.6	171.5	0	0	0	112.5	K222 V223 T229 R230	K222-L226 HydrophobicContact CG-CD1 4.2Å; K222-L226 WeakPolarHBondContact O-CB 3.23Å; K222-L226 VanDerWaalsContact O-CG 3.26Å; K222-L226 WeakPolarHBondContact O-CG 3.35Å; K222-L226 PolarHBondContact O-N 2.98Å; V223-L226 PolarHBondContact O-N 2.88Å; L226-T229 WeakPolarHBondContact CA-OG1 3.43Å; L226-T229 PolarHBondContact O-OG1 2.83Å; L226-T229 VanDerWaalsContact O-OG1 3.13Å; L226-R230 WeakPolarHBondContact O-CB 3.34Å; L226-R230 PolarHBondContact O-N 3.07Å
227	Q	94.5	Very high	94.7	Very high	100 Å²	100	104.2 Å²	104.2	47%	0.467	53%	0.531	S	S	.	.	H	α-helix	trans	-68.1	-42	173.8	-177.2	172.1	-21.5	0	0	111.6	V223 E224 E225 R230 M231	V223-Q227 WeakPolarHBondContact O-CB 3.36Å; V223-Q227 PolarHBondContact O-N 2.77Å; E224-Q227 PolarHBondContact O-N 3Å; E225-Q227 VanDerWaalsContact C-N 3.29Å; E225-Q227 PolarHBondContact O-N 3.46Å; Q227-R230 PolarHBondContact O-N 3.01Å; Q227-M231 WeakPolarHBondContact O-CG 3.46Å; Q227-M231 PolarHBondContact O-N 2.94Å
228	K	94.9	Very high	94.8	Very high	121 Å²	121	102.9 Å²	102.9	53%	0.526	53%	0.525	S	S	.	.	H	α-helix	trans	-62.8	-46.9	175.8	-71.9	161.3	-171.7	154.9	0	111.5	E224 E225 M231 S232	E224-K228 VanDerWaalsContact O-CG 3.31Å; E224-K228 WeakPolarHBondContact O-CG 3.37Å; E224-K228 PolarHBondContact O-N 2.87Å; E224-K228 IonicContact OE2-NZ 3.8Å; E224-K228 PolarHBondContact OE2-NZ 3Å; E225-K228 PolarHBondContact O-N 3.02Å; K228-M231 PolarHBondContact O-N 2.82Å; K228-S232 PolarHBondContact O-N 3.44Å
229	T	94.5	Very high	94.8	Very high	66 Å²	66	102.6 Å²	102.6	41%	0.405	52%	0.523	S	S	.	.	H	α-helix	trans	-66	-40.9	177.2	57.1	0	0	0	0	112	E225 L226 M231 S232 I233	E225-T229 PolarHBondContact O-N 3.27Å; E225-T229 PolarHBondContact O-OG1 3.18Å; L226-T229 WeakPolarHBondContact CA-OG1 3.43Å; L226-T229 PolarHBondContact O-OG1 2.83Å; L226-T229 VanDerWaalsContact O-OG1 3.13Å; T229-M231 VanDerWaalsContact C-N 3.33Å; T229-M231 PolarHBondContact O-N 3.41Å; T229-S232 PolarHBondContact O-N 2.79Å; T229-I233 WeakPolarHBondContact O-CG1 3.16Å; T229-I233 PolarHBondContact O-N 3.39Å
230	R	95	Very high	94.9	Very high	175 Å²	175	104.8 Å²	104.8	66%	0.66	53%	0.527	S	S	*	.	H	α-helix	trans	-58	-42.1	173.5	-171	-175.9	75	167.4	3.3	112.4	L226 Q227 A234	L226-R230 WeakPolarHBondContact O-CB 3.34Å; L226-R230 PolarHBondContact O-N 3.07Å; Q227-R230 PolarHBondContact O-N 3.01Å; R230-A234 WeakPolarHBondContact O-CB 3.29Å; R230-A234 PolarHBondContact O-N 3.47Å
231	M	94.5	Very high	94.9	Very high	95 Å²	95	104.9 Å²	104.9	47%	0.468	52%	0.522	S	S	.	.	H	α-helix	trans	-65.2	-41.8	175.8	-72	-171.6	-56.9	0	0	112.1	Q227 K228 T229 A234 Q235	Q227-M231 WeakPolarHBondContact O-CG 3.46Å; Q227-M231 PolarHBondContact O-N 2.94Å; K228-M231 PolarHBondContact O-N 2.82Å; T229-M231 VanDerWaalsContact C-N 3.33Å; T229-M231 PolarHBondContact O-N 3.41Å; M231-A234 PolarHBondContact O-N 2.73Å; M231-Q235 WeakPolarHBondContact O-CG 3.5Å; M231-Q235 PolarHBondContact O-N 2.96Å
232	S	94.8	Very high	94.9	Very high	70 Å²	70	106 Å²	106	49%	0.49	52%	0.519	S	S	.	.	H	α-helix	trans	-61.7	-47.2	176.4	-167.4	0	0	0	0	111.9	K228 T229 A234 Q235 E236	K228-S232 PolarHBondContact O-N 3.44Å; T229-S232 PolarHBondContact O-N 2.79Å; S232-A234 VanDerWaalsContact C-N 3.32Å; S232-A234 PolarHBondContact O-N 3.24Å; S232-Q235 PolarHBondContact O-N 3.38Å; S232-E236 PolarHBondContact O-N 2.92Å
233	I	94.6	Very high	94.9	Very high	109 Å²	109	105.1 Å²	105.1	56%	0.559	52%	0.517	S	S	*	.	H	α-helix	trans	-64.2	-37.6	178.4	-66.9	166.3	0	0	0	111	T229 E236 K237	T229-I233 WeakPolarHBondContact O-CG1 3.16Å; T229-I233 PolarHBondContact O-N 3.39Å; I233-E236 PolarHBondContact O-N 2.9Å; I233-K237 VanDerWaalsContact O-CB 3.28Å; I233-K237 WeakPolarHBondContact O-CB 3.35Å; I233-K237 PolarHBondContact O-N 3.33Å
234	A	95.9	Very high	95	Very high	58 Å²	58	105.7 Å²	105.7	48%	0.479	51%	0.512	S	S	.	.	H	α-helix	trans	-64.7	-41.9	175.3	0	0	0	0	0	112.3	R230 M231 S232 K237 E238	R230-A234 WeakPolarHBondContact O-CB 3.29Å; R230-A234 PolarHBondContact O-N 3.47Å; M231-A234 PolarHBondContact O-N 2.73Å; S232-A234 VanDerWaalsContact C-N 3.32Å; S232-A234 PolarHBondContact O-N 3.24Å; A234-K237 PolarHBondContact O-N 3.07Å; A234-E238 WeakPolarHBondContact O-CB 3.26Å; A234-E238 PolarHBondContact O-N 3.27Å
235	Q	95.5	Very high	95	Very high	130 Å²	130	106.4 Å²	106.4	61%	0.607	52%	0.515	S	S	*	.	H	α-helix	trans	-67.1	-36.7	175.5	-72.5	178.5	-3.1	0	0	112.8	M231 S232 K239	M231-Q235 WeakPolarHBondContact O-CG 3.5Å; M231-Q235 PolarHBondContact O-N 2.96Å; S232-Q235 PolarHBondContact O-N 3.38Å; Q235-K239 WeakPolarHBondContact O-CG 3.48Å; Q235-K239 PolarHBondContact O-N 2.76Å
236	E	94.6	Very high	95.1	Very high	114 Å²	114	103.5 Å²	103.5	53%	0.533	50%	0.504	S	S	.	.	H	α-helix	trans	-69.1	-44	175.4	-173.3	174.3	-172.9	0	0	111.5	S232 I233 E238 K239 L240	S232-E236 PolarHBondContact O-N 2.92Å; I233-E236 PolarHBondContact O-N 2.9Å; E236-E238 VanDerWaalsContact C-N 3.3Å; E236-E238 PolarHBondContact O-N 2.88Å; E236-K239 PolarHBondContact O-N 2.99Å; E236-L240 HydrophobicContact CG-CD1 4.19Å; E236-L240 WeakPolarHBondContact O-CG 2.9Å; E236-L240 PolarHBondContact O-N 3.4Å
237	K	95.4	Very high	95.1	Very high	138 Å²	138	104 Å²	104	60%	0.6	51%	0.506	S	S	*	.	H	α-helix	trans	-56.4	-44.1	173.3	-178.2	-172.5	174	-169.2	0	111.8	I233 A234 L240 L241	I233-K237 VanDerWaalsContact O-CB 3.28Å; I233-K237 WeakPolarHBondContact O-CB 3.35Å; I233-K237 PolarHBondContact O-N 3.33Å; A234-K237 PolarHBondContact O-N 3.07Å; K237-L240 PolarHBondContact O-N 3.07Å; K237-L241 HydrophobicContact CG-CD1 4.29Å; K237-L241 WeakPolarHBondContact O-CG 3.15Å; K237-L241 PolarHBondContact O-N 2.94Å
238	E	95.4	Very high	95.1	Very high	100 Å²	100	103.7 Å²	103.7	47%	0.467	51%	0.505	S	S	.	.	H	α-helix	trans	-61.5	-46.1	178.3	-178	57	-151.8	0	0	111.8	A234 E236 L240 L241 Q242	A234-E238 WeakPolarHBondContact O-CB 3.26Å; A234-E238 PolarHBondContact O-N 3.27Å; E236-E238 VanDerWaalsContact C-N 3.3Å; E236-E238 PolarHBondContact O-N 2.88Å; E238-L240 PolarHBondContact O-N 2.65Å; E238-L241 PolarHBondContact O-N 2.86Å; E238-Q242 WeakPolarHBondContact O-CG 3.39Å; E238-Q242 PolarHBondContact O-N 2.69Å; E238-Q242 PolarHBondContact OE1-NE2 3.41Å
239	K	96.1	Very high	95.2	Very high	129 Å²	129	103.9 Å²	103.9	56%	0.561	50%	0.502	S	S	*	.	H	α-helix	trans	-60.5	-44.4	174.7	-70.4	171.8	-177.9	177.3	0	112.3	Q235 E236 L241 Q242 E243	Q235-K239 WeakPolarHBondContact O-CG 3.48Å; Q235-K239 PolarHBondContact O-N 2.76Å; E236-K239 PolarHBondContact O-N 2.99Å; K239-L241 VanDerWaalsContact C-N 3.28Å; K239-L241 PolarHBondContact O-N 3.46Å; K239-Q242 PolarHBondContact O-N 2.9Å; K239-E243 WeakPolarHBondContact O-CG 3.38Å; K239-E243 PolarHBondContact O-N 3.17Å
240	L	95	Very high	95.2	Very high	98 Å²	98	106.3 Å²	106.3	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-65.8	-29.9	178.6	-70.9	171.7	0	0	0	112.7	E236 K237 E238 K244	E236-L240 HydrophobicContact CG-CD1 4.19Å; E236-L240 WeakPolarHBondContact O-CG 2.9Å; E236-L240 PolarHBondContact O-N 3.4Å; K237-L240 PolarHBondContact O-N 3.07Å; E238-L240 PolarHBondContact O-N 2.65Å; L240-K244 WeakPolarHBondContact O-CB 3.35Å; L240-K244 PolarHBondContact O-N 3.48Å
241	L	95.5	Very high	95.2	Very high	70 Å²	70	102.7 Å²	102.7	37%	0.366	50%	0.5	S	S	.	.	H	α-helix	trans	-69.3	-45	171.6	-73.7	170.7	0	0	0	111.4	K237 E238 K239 K244 E245	K237-L241 HydrophobicContact CG-CD1 4.29Å; K237-L241 WeakPolarHBondContact O-CG 3.15Å; K237-L241 PolarHBondContact O-N 2.94Å; E238-L241 PolarHBondContact O-N 2.86Å; K239-L241 VanDerWaalsContact C-N 3.28Å; K239-L241 PolarHBondContact O-N 3.46Å; L241-K244 WeakPolarHBondContact O-CB 3.4Å; L241-K244 PolarHBondContact O-N 2.91Å; L241-E245 WeakPolarHBondContact O-CG 3.08Å; L241-E245 PolarHBondContact O-N 2.86Å
242	Q	95.6	Very high	95.3	Very high	100 Å²	100	104 Å²	104	47%	0.467	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-43.8	176	-66.6	171.9	12.1	0	0	111.9	E238 K239 K244 E245 D246	E238-Q242 WeakPolarHBondContact O-CG 3.39Å; E238-Q242 PolarHBondContact O-N 2.69Å; E238-Q242 PolarHBondContact OE1-NE2 3.41Å; K239-Q242 PolarHBondContact O-N 2.9Å; Q242-K244 VanDerWaalsContact C-N 3.33Å; Q242-K244 PolarHBondContact O-N 3.37Å; Q242-E245 PolarHBondContact O-N 2.77Å; Q242-D246 WeakPolarHBondContact O-CB 3.48Å; Q242-D246 PolarHBondContact O-N 2.9Å
243	E	95.4	Very high	95.3	Very high	116 Å²	116	105.6 Å²	105.6	54%	0.542	51%	0.505	S	S	.	.	H	α-helix	trans	-62.3	-38.9	173.6	-74.1	-179.4	-174.3	0	0	112.2	K239 L247	K239-E243 WeakPolarHBondContact O-CG 3.38Å; K239-E243 PolarHBondContact O-N 3.17Å; E243-L247 WeakPolarHBondContact O-CB 3.44Å; E243-L247 VanDerWaalsContact O-CG 3.24Å; E243-L247 WeakPolarHBondContact O-CG 3.37Å; E243-L247 PolarHBondContact O-N 3.01Å
244	K	95.3	Very high	95.1	Very high	102 Å²	102	104.1 Å²	104.1	44%	0.443	50%	0.504	S	S	.	.	H	α-helix	trans	-62.3	-48.7	174.2	175.5	-175.1	177	-75.5	0	111.5	L240 L241 Q242 D246 L247 E248	L240-K244 WeakPolarHBondContact O-CB 3.35Å; L240-K244 PolarHBondContact O-N 3.48Å; L241-K244 WeakPolarHBondContact O-CB 3.4Å; L241-K244 PolarHBondContact O-N 2.91Å; Q242-K244 VanDerWaalsContact C-N 3.33Å; Q242-K244 PolarHBondContact O-N 3.37Å; K244-D246 VanDerWaalsContact C-N 3.34Å; K244-D246 PolarHBondContact O-N 3.49Å; K244-L247 PolarHBondContact O-N 2.92Å; K244-E248 VanDerWaalsContact CE-OE1 3.23Å; K244-E248 WeakPolarHBondContact CE-OE1 3.28Å; K244-E248 HydrophobicContact CG-CG 4.45Å; K244-E248 IonicContact NZ-OE1 3.99Å; K244-E248 PolarHBondContact NZ-OE1 3.37Å; K244-E248 IonicContact NZ-OE2 2.66Å; K244-E248 PolarHBondContact NZ-OE2 3.19Å; K244-E248 WeakPolarHBondContact O-CB 3.44Å; K244-E248 WeakPolarHBondContact O-CG 3.34Å; K244-E248 PolarHBondContact O-N 2.85Å
245	E	95.1	Very high	95.1	Very high	115 Å²	115	106.1 Å²	106.1	54%	0.537	50%	0.504	S	S	.	.	H	α-helix	trans	-61.8	-40.9	178.9	-73.3	177.6	-176.4	0	0	112	L241 Q242 E248 R249	L241-E245 WeakPolarHBondContact O-CG 3.08Å; L241-E245 PolarHBondContact O-N 2.86Å; Q242-E245 PolarHBondContact O-N 2.77Å; E245-E248 PolarHBondContact O-N 2.89Å; E245-R249 WeakPolarHBondContact O-CB 3.45Å; E245-R249 PolarHBondContact O-N 2.85Å
246	D	95.6	Very high	95.1	Very high	65 Å²	65	105.7 Å²	105.7	35%	0.348	50%	0.502	S	S	.	.	H	α-helix	trans	-67.1	-32.8	174.8	-92.9	2.5	0	0	0	113	Q242 K244 R249 K250	Q242-D246 WeakPolarHBondContact O-CB 3.48Å; Q242-D246 PolarHBondContact O-N 2.9Å; K244-D246 VanDerWaalsContact C-N 3.34Å; K244-D246 PolarHBondContact O-N 3.49Å; D246-R249 IonicContact OD1-CZ 2.84Å; D246-R249 IonicContact OD1-NH1 3.02Å; D246-R249 PolarHBondContact OD1-NH1 3.03Å; D246-R249 IonicContact OD1-NH2 2.62Å; D246-R249 PolarHBondContact OD1-NH2 3.47Å; D246-K250 WeakPolarHBondContact O-CD 3.46Å; D246-K250 VanDerWaalsContact O-CG 3.26Å; D246-K250 WeakPolarHBondContact O-CG 3.39Å; D246-K250 PolarHBondContact O-N 3.06Å
247	L	94.8	Very high	95.1	Very high	112 Å²	112	105.5 Å²	105.5	59%	0.586	50%	0.502	S	S	*	.	H	α-helix	trans	-75	-38.8	174.5	-75.4	171.1	0	0	0	112.2	E243 K244 K250 L251	E243-L247 WeakPolarHBondContact O-CB 3.44Å; E243-L247 VanDerWaalsContact O-CG 3.24Å; E243-L247 WeakPolarHBondContact O-CG 3.37Å; E243-L247 PolarHBondContact O-N 3.01Å; K244-L247 PolarHBondContact O-N 2.92Å; L247-K250 PolarHBondContact O-N 2.94Å; L247-L251 VanDerWaalsContact O-CB 3.28Å; L247-L251 WeakPolarHBondContact O-CB 3.22Å; L247-L251 PolarHBondContact O-N 2.89Å
248	E	94.7	Very high	95.1	Very high	94 Å²	94	103.4 Å²	103.4	44%	0.439	50%	0.497	S	S	.	.	H	α-helix	trans	-62.4	-43.1	173.7	-76	175.8	154.3	0	0	110.7	K244 E245 L251 E252	K244-E248 VanDerWaalsContact CE-OE1 3.23Å; K244-E248 WeakPolarHBondContact CE-OE1 3.28Å; K244-E248 HydrophobicContact CG-CG 4.45Å; K244-E248 IonicContact NZ-OE1 3.99Å; K244-E248 PolarHBondContact NZ-OE1 3.37Å; K244-E248 IonicContact NZ-OE2 2.66Å; K244-E248 PolarHBondContact NZ-OE2 3.19Å; K244-E248 WeakPolarHBondContact O-CB 3.44Å; K244-E248 WeakPolarHBondContact O-CG 3.34Å; K244-E248 PolarHBondContact O-N 2.85Å; E245-E248 PolarHBondContact O-N 2.89Å; E248-L251 WeakPolarHBondContact O-CB 3.2Å; E248-L251 PolarHBondContact O-N 2.98Å; E248-E252 PolarHBondContact O-N 3.12Å
249	R	95.6	Very high	95	Very high	126 Å²	126	102.2 Å²	102.2	48%	0.475	49%	0.494	S	S	.	.	H	α-helix	trans	-60.9	-48.4	174.2	-163.3	-172.4	-48.3	125	18.9	112.8	E245 D246 L251 E252 E253	E245-R249 WeakPolarHBondContact O-CB 3.45Å; E245-R249 PolarHBondContact O-N 2.85Å; D246-R249 IonicContact OD1-CZ 2.84Å; D246-R249 IonicContact OD1-NH1 3.02Å; D246-R249 PolarHBondContact OD1-NH1 3.03Å; D246-R249 IonicContact OD1-NH2 2.62Å; D246-R249 PolarHBondContact OD1-NH2 3.47Å; R249-L251 VanDerWaalsContact C-N 3.26Å; R249-L251 PolarHBondContact O-N 3.21Å; R249-E252 PolarHBondContact O-N 3.31Å; R249-E253 WeakPolarHBondContact O-CG 3.18Å; R249-E253 PolarHBondContact O-N 3.02Å
250	K	95.6	Very high	94.9	Very high	116 Å²	116	102 Å²	102	50%	0.504	50%	0.495	S	S	.	.	H	α-helix	trans	-63.2	-32.6	176.5	-73.4	164.6	-172.1	152.3	0	112.7	D246 L247 S254	D246-K250 WeakPolarHBondContact O-CD 3.46Å; D246-K250 VanDerWaalsContact O-CG 3.26Å; D246-K250 WeakPolarHBondContact O-CG 3.39Å; D246-K250 PolarHBondContact O-N 3.06Å; L247-K250 PolarHBondContact O-N 2.94Å; K250-S254 VanDerWaalsContact O-CB 3.29Å; K250-S254 WeakPolarHBondContact O-CB 3.29Å; K250-S254 PolarHBondContact O-N 2.87Å
251	L	94.8	Very high	94.8	Very high	99 Å²	99	100.6 Å²	100.6	52%	0.518	49%	0.493	S	S	.	.	H	α-helix	trans	-68.9	-41.7	175.3	177.9	61.9	0	0	0	111	L247 E248 R249 S254 Q255	L247-L251 VanDerWaalsContact O-CB 3.28Å; L247-L251 WeakPolarHBondContact O-CB 3.22Å; L247-L251 PolarHBondContact O-N 2.89Å; E248-L251 WeakPolarHBondContact O-CB 3.2Å; E248-L251 PolarHBondContact O-N 2.98Å; R249-L251 VanDerWaalsContact C-N 3.26Å; R249-L251 PolarHBondContact O-N 3.21Å; L251-S254 PolarHBondContact O-N 3.11Å; L251-Q255 WeakPolarHBondContact O-CB 3.44Å; L251-Q255 VanDerWaalsContact O-CG 3.25Å; L251-Q255 WeakPolarHBondContact O-CG 3.49Å; L251-Q255 PolarHBondContact O-N 3.49Å
252	E	95.2	Very high	94.8	Very high	124 Å²	124	102.2 Å²	102.2	58%	0.579	50%	0.496	S	S	*	.	H	α-helix	trans	-63.3	-51.8	174.6	-170.4	164.7	-144.2	0	0	111.2	E248 R249 S254 Q255 E256	E248-E252 PolarHBondContact O-N 3.12Å; R249-E252 PolarHBondContact O-N 3.31Å; E252-S254 VanDerWaalsContact C-N 3.29Å; E252-S254 PolarHBondContact O-N 3.06Å; E252-Q255 WeakPolarHBondContact O-CA 3.31Å; E252-Q255 WeakPolarHBondContact O-CB 3.26Å; E252-Q255 PolarHBondContact O-N 2.96Å; E252-E256 PolarHBondContact O-N 2.88Å
253	E	95.1	Very high	94.7	Very high	103 Å²	103	102.6 Å²	102.6	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-52	-45.8	173.1	-71.2	169.3	-170	0	0	111.8	R249 Q255 E256 M257	R249-E253 WeakPolarHBondContact O-CG 3.18Å; R249-E253 PolarHBondContact O-N 3.02Å; E253-Q255 VanDerWaalsContact C-N 3.31Å; E253-Q255 PolarHBondContact O-N 3.1Å; E253-E256 PolarHBondContact O-N 2.87Å; E253-M257 WeakPolarHBondContact O-CB 3.2Å; E253-M257 VanDerWaalsContact O-CG 3.29Å; E253-M257 WeakPolarHBondContact O-CG 3.29Å; E253-M257 PolarHBondContact O-N 2.86Å
254	S	91.9	Very high	94.7	Very high	77 Å²	77	104.1 Å²	104.1	54%	0.538	50%	0.504	S	S	.	.	H	α-helix	trans	-69.1	-26.8	177.7	-175.3	0	0	0	0	113.4	K250 L251 E252 L258	K250-S254 VanDerWaalsContact O-CB 3.29Å; K250-S254 WeakPolarHBondContact O-CB 3.29Å; K250-S254 PolarHBondContact O-N 2.87Å; L251-S254 PolarHBondContact O-N 3.11Å; E252-S254 VanDerWaalsContact C-N 3.29Å; E252-S254 PolarHBondContact O-N 3.06Å; S254-L258 VanDerWaalsContact O-CB 3.29Å; S254-L258 WeakPolarHBondContact O-CB 3.28Å; S254-L258 PolarHBondContact O-N 3.4Å
255	Q	95.6	Very high	94.6	Very high	101 Å²	101	103.5 Å²	103.5	47%	0.472	50%	0.504	S	S	.	.	H	α-helix	trans	-77.1	-39.4	175	-76.7	177.5	34.4	0	0	111.5	L251 E252 E253 L258 N259	L251-Q255 WeakPolarHBondContact O-CB 3.44Å; L251-Q255 VanDerWaalsContact O-CG 3.25Å; L251-Q255 WeakPolarHBondContact O-CG 3.49Å; L251-Q255 PolarHBondContact O-N 3.49Å; E252-Q255 WeakPolarHBondContact O-CA 3.31Å; E252-Q255 WeakPolarHBondContact O-CB 3.26Å; E252-Q255 PolarHBondContact O-N 2.96Å; E253-Q255 VanDerWaalsContact C-N 3.31Å; E253-Q255 PolarHBondContact O-N 3.1Å; Q255-L258 PolarHBondContact O-N 2.83Å; Q255-N259 PolarHBondContact O-N 3.32Å; Q255-N259 PolarHBondContact O-ND2 2.77Å
256	E	95.1	Very high	94.5	Very high	120 Å²	120	101.7 Å²	101.7	56%	0.561	50%	0.498	S	S	*	.	H	α-helix	trans	-59.7	-54.1	172.1	-68.9	-170.1	147.2	0	0	110.7	E252 E253 L258 N259 E260	E252-E256 PolarHBondContact O-N 2.88Å; E253-E256 PolarHBondContact O-N 2.87Å; E256-L258 VanDerWaalsContact C-N 3.25Å; E256-L258 PolarHBondContact O-N 3.13Å; E256-N259 CarbonylContact O-C 3.3Å; E256-N259 WeakPolarHBondContact O-CA 3.32Å; E256-N259 WeakPolarHBondContact O-CB 3.47Å; E256-N259 PolarHBondContact O-N 2.83Å; E256-E260 PolarHBondContact O-N 2.95Å
257	M	95.2	Very high	94.4	Very high	110 Å²	110	101.4 Å²	101.4	54%	0.542	50%	0.499	S	S	.	.	H	α-helix	trans	-56.6	-36.8	176.6	-70.8	-61.9	-55.2	0	0	113.2	E253 C261	E253-M257 WeakPolarHBondContact O-CB 3.2Å; E253-M257 VanDerWaalsContact O-CG 3.29Å; E253-M257 WeakPolarHBondContact O-CG 3.29Å; E253-M257 PolarHBondContact O-N 2.86Å; M257-C261 WeakPolarHBondContact O-CB 3.31Å; M257-C261 PolarHBondContact O-N 2.68Å; M257-C261 PolarHBondContact O-SG 3.38Å
258	L	94.5	Very high	94.3	Very high	94 Å²	94	99.9 Å²	99.9	49%	0.492	49%	0.491	S	S	.	.	H	α-helix	trans	-65.8	-40.2	174.5	-175.3	80.2	0	0	0	111.4	S254 Q255 E256 C261 K262	S254-L258 VanDerWaalsContact O-CB 3.29Å; S254-L258 WeakPolarHBondContact O-CB 3.28Å; S254-L258 PolarHBondContact O-N 3.4Å; Q255-L258 PolarHBondContact O-N 2.83Å; E256-L258 VanDerWaalsContact C-N 3.25Å; E256-L258 PolarHBondContact O-N 3.13Å; L258-C261 PolarHBondContact O-N 3.46Å; L258-K262 WeakPolarHBondContact O-CG 3.44Å; L258-K262 PolarHBondContact O-N 3.41Å
259	N	93.6	Very high	94.2	Very high	76 Å²	76	99.3 Å²	99.3	41%	0.406	49%	0.488	S	S	.	.	H	α-helix	trans	-71.4	-41.2	178.8	-67.2	-25.9	0	0	0	111.6	Q255 E256 C261 K262 D263	Q255-N259 PolarHBondContact O-N 3.32Å; Q255-N259 PolarHBondContact O-ND2 2.77Å; E256-N259 CarbonylContact O-C 3.3Å; E256-N259 WeakPolarHBondContact O-CA 3.32Å; E256-N259 WeakPolarHBondContact O-CB 3.47Å; E256-N259 PolarHBondContact O-N 2.83Å; N259-C261 VanDerWaalsContact C-N 3.3Å; N259-C261 PolarHBondContact O-N 3.28Å; N259-K262 WeakPolarHBondContact O-CB 3.48Å; N259-K262 PolarHBondContact O-N 3.43Å; N259-K262 VanDerWaalsContact O-N 3.14Å; N259-K262 PolarHBondContact OD1-NZ 2.94Å; N259-D263 PolarHBondContact O-N 3.1Å
260	E	94.4	Very high	94.1	Very high	125 Å²	125	99 Å²	99	58%	0.584	49%	0.491	S	S	*	.	H	α-helix	trans	-57.2	-43.5	170.6	-68.3	-166.8	161.1	0	0	111.9	E256 K262 D263 Y264	E256-E260 PolarHBondContact O-N 2.95Å; E260-K262 PolarHBondContact O-N 2.91Å; E260-D263 PolarHBondContact O-N 2.72Å; E260-Y264 VanDerWaalsContact O-CB 3.3Å; E260-Y264 WeakPolarHBondContact O-CB 3.32Å; E260-Y264 PolarHBondContact O-N 2.92Å
261	C	92.7	Very high	93.9	Very high	68 Å²	68	99.7 Å²	99.7	46%	0.459	49%	0.494	S	S	.	.	H	α-helix	trans	-64.1	-39.3	176.1	-74.2	0	0	0	0	112.5	M257 L258 N259 Y264 I265	M257-C261 WeakPolarHBondContact O-CB 3.31Å; M257-C261 PolarHBondContact O-N 2.68Å; M257-C261 PolarHBondContact O-SG 3.38Å; L258-C261 PolarHBondContact O-N 3.46Å; N259-C261 VanDerWaalsContact C-N 3.3Å; N259-C261 PolarHBondContact O-N 3.28Å; C261-Y264 PolarHBondContact O-N 3.27Å; C261-I265 WeakPolarHBondContact O-CB 3.39Å; C261-I265 WeakPolarHBondContact O-CD1 3.36Å; C261-I265 VanDerWaalsContact O-CG1 3.23Å; C261-I265 WeakPolarHBondContact O-CG1 3.41Å; C261-I265 PolarHBondContact O-N 2.92Å
262	K	94.7	Very high	93.7	Very high	103 Å²	103	96.9 Å²	96.9	45%	0.448	49%	0.485	S	S	.	.	H	α-helix	trans	-62.6	-48.8	174.5	-72.3	167.7	-167.5	155.5	0	111	L258 N259 E260 Y264 I265 D266	L258-K262 WeakPolarHBondContact O-CG 3.44Å; L258-K262 PolarHBondContact O-N 3.41Å; N259-K262 WeakPolarHBondContact O-CB 3.48Å; N259-K262 PolarHBondContact O-N 3.43Å; N259-K262 VanDerWaalsContact O-N 3.14Å; N259-K262 PolarHBondContact OD1-NZ 2.94Å; E260-K262 PolarHBondContact O-N 2.91Å; K262-Y264 VanDerWaalsContact C-N 3.32Å; K262-Y264 PolarHBondContact O-N 3.03Å; K262-I265 PolarHBondContact O-N 3.25Å; K262-D266 PolarHBondContact O-N 3.27Å
263	D	94.4	Very high	93.5	Very high	109 Å²	109	98 Å²	98	58%	0.583	48%	0.484	S	S	*	.	H	α-helix	trans	-62.3	-41.1	179	-77.3	-11.5	0	0	0	111.3	N259 E260 D266 T267	N259-D263 PolarHBondContact O-N 3.1Å; E260-D263 PolarHBondContact O-N 2.72Å; D263-D266 PolarHBondContact O-N 3.44Å; D263-T267 WeakPolarHBondContact O-CG2 3.34Å; D263-T267 PolarHBondContact O-N 3.36Å
264	Y	94.1	Very high	93.4	Very high	147 Å²	147	97.7 Å²	97.7	58%	0.576	48%	0.482	S	S	*	.	H	α-helix	trans	-60.7	-47.1	173.8	-173.9	-104.5	0	0	0	112	E260 C261 K262 D266 T267 L268	E260-Y264 VanDerWaalsContact O-CB 3.3Å; E260-Y264 WeakPolarHBondContact O-CB 3.32Å; E260-Y264 PolarHBondContact O-N 2.92Å; C261-Y264 PolarHBondContact O-N 3.27Å; K262-Y264 VanDerWaalsContact C-N 3.32Å; K262-Y264 PolarHBondContact O-N 3.03Å; Y264-D266 VanDerWaalsContact C-N 3.31Å; Y264-D266 PolarHBondContact O-N 2.89Å; Y264-T267 PolarHBondContact O-N 3.07Å; Y264-T267 PolarHBondContact O-OG1 3Å; Y264-L268 HydrophobicContact CD1-CD1 3.89Å; Y264-L268 HydrophobicContact CD1-CG 4.4Å; Y264-L268 HydrophobicContact CE1-CD1 3.38Å; Y264-L268 HydrophobicContact CE1-CG 4.04Å; Y264-L268 WeakPolarHBondContact O-CG 3.44Å; Y264-L268 PolarHBondContact O-N 2.86Å
265	I	93.1	Very high	93.3	Very high	89 Å²	89	97 Å²	97	46%	0.456	47%	0.47	S	S	.	.	H	α-helix	trans	-58.2	-43.4	173.9	-72.8	165.3	0	0	0	110.8	C261 K262 L268 Q269	C261-I265 WeakPolarHBondContact O-CB 3.39Å; C261-I265 WeakPolarHBondContact O-CD1 3.36Å; C261-I265 VanDerWaalsContact O-CG1 3.23Å; C261-I265 WeakPolarHBondContact O-CG1 3.41Å; C261-I265 PolarHBondContact O-N 2.92Å; K262-I265 PolarHBondContact O-N 3.25Å; I265-L268 PolarHBondContact O-N 2.99Å; I265-Q269 HydrophobicContact CG2-CG 4.38Å; I265-Q269 WeakPolarHBondContact O-CB 3.23Å; I265-Q269 WeakPolarHBondContact O-CG 3.29Å; I265-Q269 PolarHBondContact O-N 3.36Å
266	D	94	Very high	93.1	Very high	78 Å²	78	99.9 Å²	99.9	42%	0.417	48%	0.477	S	S	.	.	H	α-helix	trans	-66.2	-38.7	179.5	-103.1	21.8	0	0	0	112.6	K262 D263 Y264 Q269 K270	K262-D266 PolarHBondContact O-N 3.27Å; D263-D266 PolarHBondContact O-N 3.44Å; Y264-D266 VanDerWaalsContact C-N 3.31Å; Y264-D266 PolarHBondContact O-N 2.89Å; D266-Q269 PolarHBondContact O-N 3.32Å; D266-K270 WeakPolarHBondContact O-CB 3.21Å; D266-K270 VanDerWaalsContact O-CG 3.29Å; D266-K270 WeakPolarHBondContact O-CG 3.21Å; D266-K270 PolarHBondContact O-N 2.9Å
267	T	93.4	Very high	92.9	Very high	59 Å²	59	104 Å²	104	36%	0.362	49%	0.487	S	S	.	.	H	α-helix	trans	-66.7	-39.1	172.7	67.3	0	0	0	0	112.2	D263 Y264 K270 K271	D263-T267 WeakPolarHBondContact O-CG2 3.34Å; D263-T267 PolarHBondContact O-N 3.36Å; Y264-T267 PolarHBondContact O-N 3.07Å; Y264-T267 PolarHBondContact O-OG1 3Å; T267-K270 PolarHBondContact O-N 3.28Å; T267-K271 WeakPolarHBondContact O-CB 3.47Å; T267-K271 WeakPolarHBondContact O-CG 3.4Å; T267-K271 PolarHBondContact O-N 3.03Å
268	L	91.9	Very high	92.7	Very high	79 Å²	79	105 Å²	105	41%	0.414	49%	0.485	S	S	.	.	H	α-helix	trans	-64.2	-42.3	173.4	-75.1	-179	0	0	0	111.7	Y264 I265 K271 A272	Y264-L268 HydrophobicContact CD1-CD1 3.89Å; Y264-L268 HydrophobicContact CD1-CG 4.4Å; Y264-L268 HydrophobicContact CE1-CD1 3.38Å; Y264-L268 HydrophobicContact CE1-CG 4.04Å; Y264-L268 WeakPolarHBondContact O-CG 3.44Å; Y264-L268 PolarHBondContact O-N 2.86Å; I265-L268 PolarHBondContact O-N 2.99Å; L268-K271 PolarHBondContact O-N 3.03Å; L268-A272 VanDerWaalsContact O-CB 3.29Å; L268-A272 WeakPolarHBondContact O-CB 3.3Å; L268-A272 PolarHBondContact O-N 3.44Å
269	Q	93	Very high	92.4	Very high	82 Å²	82	108.2 Å²	108.2	38%	0.383	49%	0.491	S	S	.	.	H	α-helix	trans	-62.3	-43.2	174.8	-75.4	-167	39.3	0	0	111.9	I265 D266 A272 R273	I265-Q269 HydrophobicContact CG2-CG 4.38Å; I265-Q269 WeakPolarHBondContact O-CB 3.23Å; I265-Q269 WeakPolarHBondContact O-CG 3.29Å; I265-Q269 PolarHBondContact O-N 3.36Å; D266-Q269 PolarHBondContact O-N 3.32Å; Q269-A272 PolarHBondContact O-N 3.25Å; Q269-R273 WeakPolarHBondContact O-CB 3.33Å; Q269-R273 VanDerWaalsContact O-CG 3.24Å; Q269-R273 WeakPolarHBondContact O-CG 3.36Å; Q269-R273 PolarHBondContact O-N 2.96Å
270	K	93.2	Very high	92.2	Very high	121 Å²	121	107.1 Å²	107.1	53%	0.526	49%	0.492	S	S	.	.	H	α-helix	trans	-59.1	-52.2	174.4	-74.5	166.1	-175.6	165.4	0	110.8	D266 T267 A272 R273 E274	D266-K270 WeakPolarHBondContact O-CB 3.21Å; D266-K270 VanDerWaalsContact O-CG 3.29Å; D266-K270 WeakPolarHBondContact O-CG 3.21Å; D266-K270 PolarHBondContact O-N 2.9Å; T267-K270 PolarHBondContact O-N 3.28Å; K270-A272 VanDerWaalsContact C-N 3.34Å; K270-A272 PolarHBondContact O-N 3.08Å; K270-R273 PolarHBondContact O-N 3.31Å; K270-R273 VanDerWaalsContact O-N 3.14Å; K270-E274 PolarHBondContact O-N 2.68Å
271	K	92.7	Very high	92	Very high	130 Å²	130	107.4 Å²	107.4	57%	0.565	49%	0.491	S	S	*	.	H	α-helix	trans	-56	-44.1	175.8	-73.6	172.7	179.8	173.3	0	112.4	T267 L268 E274 E275	T267-K271 WeakPolarHBondContact O-CB 3.47Å; T267-K271 WeakPolarHBondContact O-CG 3.4Å; T267-K271 PolarHBondContact O-N 3.03Å; L268-K271 PolarHBondContact O-N 3.03Å; K271-E274 PolarHBondContact O-N 3Å; K271-E275 WeakPolarHBondContact O-CB 3.46Å; K271-E275 PolarHBondContact O-N 2.58Å
272	A	90.1	Very high	91.8	Very high	40 Å²	40	106.7 Å²	106.7	33%	0.331	49%	0.49	S	S	.	.	H	α-helix	trans	-68.3	-32.7	178.7	0	0	0	0	0	113.5	L268 Q269 K270 R276	L268-A272 VanDerWaalsContact O-CB 3.29Å; L268-A272 WeakPolarHBondContact O-CB 3.3Å; L268-A272 PolarHBondContact O-N 3.44Å; Q269-A272 PolarHBondContact O-N 3.25Å; K270-A272 VanDerWaalsContact C-N 3.34Å; K270-A272 PolarHBondContact O-N 3.08Å; A272-R276 WeakPolarHBondContact O-CB 3.3Å; A272-R276 PolarHBondContact O-N 3.36Å; A272-R276 VanDerWaalsContact O-N 3.12Å; A272-R276 PolarHBondContact O-NE 2.81Å
273	R	92	Very high	91.6	Very high	148 Å²	148	104.6 Å²	104.6	56%	0.558	49%	0.492	S	S	*	.	H	α-helix	trans	-71.1	-45.5	173.3	-71	172.6	-159.4	-176.6	9.3	111.3	Q269 K270 E275 R276 R277	Q269-R273 WeakPolarHBondContact O-CB 3.33Å; Q269-R273 VanDerWaalsContact O-CG 3.24Å; Q269-R273 WeakPolarHBondContact O-CG 3.36Å; Q269-R273 PolarHBondContact O-N 2.96Å; K270-R273 PolarHBondContact O-N 3.31Å; K270-R273 VanDerWaalsContact O-N 3.14Å; R273-E275 VanDerWaalsContact C-N 3.33Å; R273-E275 PolarHBondContact O-N 3.04Å; R273-R276 PolarHBondContact O-N 3.03Å; R273-R277 PolarHBondContact O-N 3.12Å
274	E	91.4	Very high	91.2	Very high	96 Å²	96	104.4 Å²	104.4	45%	0.449	49%	0.49	S	S	.	.	H	α-helix	trans	-58.8	-45.1	174	-74.4	176.5	-160.2	0	0	111.9	K270 K271 R277 R278	K270-E274 PolarHBondContact O-N 2.68Å; K271-E274 PolarHBondContact O-N 3Å; E274-R277 CarbonylContact O-C 3.54Å; E274-R277 WeakPolarHBondContact O-CA 3.39Å; E274-R277 WeakPolarHBondContact O-CB 3.22Å; E274-R277 PolarHBondContact O-N 2.84Å; E274-R278 WeakPolarHBondContact O-CG 2.86Å; E274-R278 PolarHBondContact O-N 2.84Å; E274-R278 IonicContact OE2-CZ 3.21Å; E274-R278 IonicContact OE2-NH2 2.78Å; E274-R278 PolarHBondContact OE2-NH2 3.41Å
275	E	90.7	Very high	91	Very high	62 Å²	62	102 Å²	102	29%	0.29	48%	0.484	S	S	.	.	H	α-helix	trans	-67.6	-39	-177.6	-177.6	57.3	-163.9	0	0	112	K271 R273 R277 R278 R279	K271-E275 WeakPolarHBondContact O-CB 3.46Å; K271-E275 PolarHBondContact O-N 2.58Å; R273-E275 VanDerWaalsContact C-N 3.33Å; R273-E275 PolarHBondContact O-N 3.04Å; E275-R277 VanDerWaalsContact C-N 3.3Å; E275-R277 PolarHBondContact O-N 2.92Å; E275-R278 PolarHBondContact O-N 2.87Å; E275-R278 IonicContact OE2-NH1 2.72Å; E275-R278 PolarHBondContact OE2-NH1 2.61Å; E275-R279 WeakPolarHBondContact O-CG 3.39Å; E275-R279 PolarHBondContact O-N 3.33Å; E275-R279 IonicContact OE1-CZ 3.1Å; E275-R279 IonicContact OE1-NE 2.71Å; E275-R279 PolarHBondContact OE1-NE 2.87Å; E275-R279 IonicContact OE1-NH2 2.68Å; E275-R279 PolarHBondContact OE1-NH2 3.07Å
276	R	90.6	Very high	90.6	Very high	162 Å²	162	103.2 Å²	103.2	61%	0.611	49%	0.491	S	S	*	.	H	α-helix	trans	-59.1	-40	166.7	-85.2	-178.9	-98.3	145	-11.4	112.1	A272 R273 R279 A280	A272-R276 WeakPolarHBondContact O-CB 3.3Å; A272-R276 PolarHBondContact O-N 3.36Å; A272-R276 VanDerWaalsContact O-N 3.12Å; A272-R276 PolarHBondContact O-NE 2.81Å; R273-R276 PolarHBondContact O-N 3.03Å; R276-R279 PolarHBondContact O-N 3.16Å; R276-A280 WeakPolarHBondContact O-CB 3.48Å; R276-A280 PolarHBondContact O-N 2.85Å
277	R	91.7	Very high	90.1	Very high	205 Å²	205	102.7 Å²	102.7	77%	0.774	49%	0.493	S	S	*	.	H	α-helix	trans	-67.3	-39.3	177.1	-167.4	178.2	-176	176.2	1.4	112.5	R273 E274 E275 K281	R273-R277 PolarHBondContact O-N 3.12Å; E274-R277 CarbonylContact O-C 3.54Å; E274-R277 WeakPolarHBondContact O-CA 3.39Å; E274-R277 WeakPolarHBondContact O-CB 3.22Å; E274-R277 PolarHBondContact O-N 2.84Å; E275-R277 VanDerWaalsContact C-N 3.3Å; E275-R277 PolarHBondContact O-N 2.92Å; R277-K281 WeakPolarHBondContact O-CB 3.31Å; R277-K281 PolarHBondContact O-N 3.34Å
278	R	90.6	Very high	89.8	Confident	132 Å²	132	105.4 Å²	105.4	50%	0.498	50%	0.502	S	S	.	.	H	α-helix	trans	-61.7	-49.2	173.1	-68.8	-174.6	-161.9	92.5	13.1	111.1	E274 E275 A280 K281 A282	E274-R278 WeakPolarHBondContact O-CG 2.86Å; E274-R278 PolarHBondContact O-N 2.84Å; E274-R278 IonicContact OE2-CZ 3.21Å; E274-R278 IonicContact OE2-NH2 2.78Å; E274-R278 PolarHBondContact OE2-NH2 3.41Å; E275-R278 PolarHBondContact O-N 2.87Å; E275-R278 IonicContact OE2-NH1 2.72Å; E275-R278 PolarHBondContact OE2-NH1 2.61Å; R278-A280 PolarHBondContact O-N 3.47Å; R278-K281 PolarHBondContact O-N 2.9Å; R278-A282 PolarHBondContact O-N 3.4Å
279	R	88.7	Confident	89.6	Confident	162 Å²	162	103.1 Å²	103.1	61%	0.611	50%	0.498	S	S	*	.	H	α-helix	trans	-63	-41.1	178.6	-68.6	174.3	-163.3	171	2.7	112.5	E275 R276 A282 A283	E275-R279 WeakPolarHBondContact O-CG 3.39Å; E275-R279 PolarHBondContact O-N 3.33Å; E275-R279 IonicContact OE1-CZ 3.1Å; E275-R279 IonicContact OE1-NE 2.71Å; E275-R279 PolarHBondContact OE1-NE 2.87Å; E275-R279 IonicContact OE1-NH2 2.68Å; E275-R279 PolarHBondContact OE1-NH2 3.07Å; R276-R279 PolarHBondContact O-N 3.16Å; R279-A282 PolarHBondContact O-N 3.39Å; R279-A283 VanDerWaalsContact O-CB 3.29Å; R279-A283 WeakPolarHBondContact O-CB 3.42Å; R279-A283 PolarHBondContact O-N 3.27Å
280	A	89.1	Confident	89.2	Confident	52 Å²	52	103.8 Å²	103.8	43%	0.43	50%	0.503	S	S	.	.	H	α-helix	trans	-61.3	-43.5	173.9	0	0	0	0	0	111.8	R276 R278 A283 I284	R276-A280 WeakPolarHBondContact O-CB 3.48Å; R276-A280 PolarHBondContact O-N 2.85Å; R278-A280 PolarHBondContact O-N 3.47Å; A280-A283 PolarHBondContact O-N 3.13Å; A280-I284 WeakPolarHBondContact O-CD1 3.42Å; A280-I284 VanDerWaalsContact O-CG1 3.29Å; A280-I284 WeakPolarHBondContact O-CG1 3.44Å; A280-I284 PolarHBondContact O-N 3.43Å
281	K	90.2	Very high	88.8	Confident	131 Å²	131	100.7 Å²	100.7	57%	0.57	50%	0.499	S	S	*	.	H	α-helix	trans	-63.4	-47.9	176.3	-169.1	175.6	-172.6	-91.8	0	112	R277 R278 A283 I284 E285	R277-K281 WeakPolarHBondContact O-CB 3.31Å; R277-K281 PolarHBondContact O-N 3.34Å; R278-K281 PolarHBondContact O-N 2.9Å; K281-A283 VanDerWaalsContact C-N 3.31Å; K281-A283 PolarHBondContact O-N 3.4Å; K281-I284 PolarHBondContact O-N 2.9Å; K281-I284 VanDerWaalsContact O-N 3.15Å; K281-E285 WeakPolarHBondContact CE-OE1 3.36Å; K281-E285 WeakPolarHBondContact CG-OE1 3.26Å; K281-E285 IonicContact NZ-OE1 2.7Å; K281-E285 PolarHBondContact NZ-OE1 3.33Å; K281-E285 WeakPolarHBondContact O-CG 3.43Å; K281-E285 PolarHBondContact O-N 3.25Å
282	A	88.8	Confident	88.5	Confident	53 Å²	53	99 Å²	99	44%	0.438	50%	0.496	S	S	.	.	H	α-helix	trans	-62.8	-35.8	177.8	0	0	0	0	0	112.8	R278 R279 L286	R278-A282 PolarHBondContact O-N 3.4Å; R279-A282 PolarHBondContact O-N 3.39Å; A282-L286 VanDerWaalsContact O-CB 3.29Å; A282-L286 WeakPolarHBondContact O-CB 3.23Å; A282-L286 PolarHBondContact O-N 3.25Å
283	A	89	Confident	88.3	Confident	59 Å²	59	103.4 Å²	103.4	49%	0.488	51%	0.51	S	S	.	.	H	α-helix	trans	-67.5	-37.4	174.2	0	0	0	0	0	112.4	R279 A280 K281 S287	R279-A283 VanDerWaalsContact O-CB 3.29Å; R279-A283 WeakPolarHBondContact O-CB 3.42Å; R279-A283 PolarHBondContact O-N 3.27Å; A280-A283 PolarHBondContact O-N 3.13Å; K281-A283 VanDerWaalsContact C-N 3.31Å; K281-A283 PolarHBondContact O-N 3.4Å; A283-S287 WeakPolarHBondContact O-CB 3.43Å; A283-S287 PolarHBondContact O-N 2.7Å; A283-S287 PolarHBondContact O-OG 3.48Å
284	I	87.5	Confident	88	Confident	105 Å²	105	105.1 Å²	105.1	54%	0.538	52%	0.517	S	S	.	.	H	α-helix	trans	-65.5	-51	173.6	-68.4	163.5	0	0	0	110	A280 K281 L286 S287 E288	A280-I284 WeakPolarHBondContact O-CD1 3.42Å; A280-I284 VanDerWaalsContact O-CG1 3.29Å; A280-I284 WeakPolarHBondContact O-CG1 3.44Å; A280-I284 PolarHBondContact O-N 3.43Å; K281-I284 PolarHBondContact O-N 2.9Å; K281-I284 VanDerWaalsContact O-N 3.15Å; I284-L286 VanDerWaalsContact C-N 3.31Å; I284-L286 PolarHBondContact O-N 2.96Å; I284-S287 WeakPolarHBondContact CA-OG 3.24Å; I284-S287 PolarHBondContact O-N 2.72Å; I284-S287 PolarHBondContact O-OG 3.21Å; I284-E288 PolarHBondContact O-N 3.18Å
285	E	88.4	Confident	87.7	Confident	97 Å²	97	104.8 Å²	104.8	45%	0.453	52%	0.515	S	S	.	.	H	α-helix	trans	-57.4	-41.5	178.2	-71.5	167.7	176.4	0	0	112	K281 E288 G289	K281-E285 WeakPolarHBondContact CE-OE1 3.36Å; K281-E285 WeakPolarHBondContact CG-OE1 3.26Å; K281-E285 IonicContact NZ-OE1 2.7Å; K281-E285 PolarHBondContact NZ-OE1 3.33Å; K281-E285 WeakPolarHBondContact O-CG 3.43Å; K281-E285 PolarHBondContact O-N 3.25Å; E285-E288 PolarHBondContact O-N 3.16Å; E285-G289 PolarHBondContact O-N 3.22Å
286	L	85.9	Confident	87.5	Confident	115 Å²	115	105.2 Å²	105.2	60%	0.602	52%	0.522	S	S	*	.	H	α-helix	trans	-64.1	-43	173.4	-177.7	66.1	0	0	0	112	A282 I284 E288 G289 I290	A282-L286 VanDerWaalsContact O-CB 3.29Å; A282-L286 WeakPolarHBondContact O-CB 3.23Å; A282-L286 PolarHBondContact O-N 3.25Å; I284-L286 VanDerWaalsContact C-N 3.31Å; I284-L286 PolarHBondContact O-N 2.96Å; L286-E288 VanDerWaalsContact C-N 3.32Å; L286-E288 PolarHBondContact O-N 2.83Å; L286-G289 PolarHBondContact O-N 3.35Å; L286-I290 HydrophobicContact CD1-CD1 4.27Å; L286-I290 HydrophobicContact CG-CD1 3.98Å; L286-I290 VanDerWaalsContact O-CG1 3.29Å; L286-I290 WeakPolarHBondContact O-CG1 3.16Å; L286-I290 PolarHBondContact O-N 3.29Å
287	S	83.9	Confident	87.2	Confident	67 Å²	67	102.2 Å²	102.2	47%	0.469	52%	0.518	S	S	.	.	H	α-helix	trans	-66.8	-33.1	178.6	73.1	0	0	0	0	112.9	A283 I284 A291	A283-S287 WeakPolarHBondContact O-CB 3.43Å; A283-S287 PolarHBondContact O-N 2.7Å; A283-S287 PolarHBondContact O-OG 3.48Å; I284-S287 WeakPolarHBondContact CA-OG 3.24Å; I284-S287 PolarHBondContact O-N 2.72Å; I284-S287 PolarHBondContact O-OG 3.21Å; S287-A291 WeakPolarHBondContact O-CB 3.27Å; S287-A291 PolarHBondContact O-N 3Å
288	E	87.5	Confident	87	Confident	115 Å²	115	95.7 Å²	95.7	54%	0.537	50%	0.5	S	S	.	.	H	α-helix	trans	-70	-44.1	174.3	-173.2	173.6	-172	0	0	111	I284 E285 L286 I290 A291 L292	I284-E288 PolarHBondContact O-N 3.18Å; E285-E288 PolarHBondContact O-N 3.16Å; L286-E288 VanDerWaalsContact C-N 3.32Å; L286-E288 PolarHBondContact O-N 2.83Å; E288-I290 PolarHBondContact O-N 3.07Å; E288-A291 WeakPolarHBondContact O-CB 3.27Å; E288-A291 PolarHBondContact O-N 3.08Å; E288-A291 VanDerWaalsContact O-N 3.17Å; E288-L292 HydrophobicContact CG-CD1 4.4Å; E288-L292 WeakPolarHBondContact O-CG 3.11Å; E288-L292 PolarHBondContact O-N 3.45Å
289	G	86.1	Confident	86.6	Confident	32 Å²	32	96.5 Å²	96.5	33%	0.33	50%	0.503	S	S	.	.	H	α-helix	trans	-57.1	-48.8	172.1	0	0	0	0	0	112.7	E285 L286 A291 L292 E293	E285-G289 PolarHBondContact O-N 3.22Å; L286-G289 PolarHBondContact O-N 3.35Å; G289-A291 VanDerWaalsContact C-N 3.29Å; G289-A291 PolarHBondContact O-N 3.45Å; G289-L292 PolarHBondContact O-N 3.41Å; G289-E293 PolarHBondContact O-N 3.26Å
290	I	84.5	Confident	86.4	Confident	96 Å²	96	93.7 Å²	93.7	49%	0.492	50%	0.497	S	S	.	.	H	α-helix	trans	-61.9	-37.2	176.1	-67.3	165.6	0	0	0	111.4	L286 E288 R294	L286-I290 HydrophobicContact CD1-CD1 4.27Å; L286-I290 HydrophobicContact CG-CD1 3.98Å; L286-I290 VanDerWaalsContact O-CG1 3.29Å; L286-I290 WeakPolarHBondContact O-CG1 3.16Å; L286-I290 PolarHBondContact O-N 3.29Å; E288-I290 PolarHBondContact O-N 3.07Å; I290-R294 VanDerWaalsContact O-CB 3.23Å; I290-R294 WeakPolarHBondContact O-CB 3.24Å; I290-R294 PolarHBondContact O-N 2.83Å
291	A	84.8	Confident	86	Confident	55 Å²	55	96 Å²	96	46%	0.455	50%	0.501	S	S	.	.	H	α-helix	trans	-65.9	-43.1	176.6	0	0	0	0	0	112.1	S287 E288 G289 R294 E295	S287-A291 WeakPolarHBondContact O-CB 3.27Å; S287-A291 PolarHBondContact O-N 3Å; E288-A291 WeakPolarHBondContact O-CB 3.27Å; E288-A291 PolarHBondContact O-N 3.08Å; E288-A291 VanDerWaalsContact O-N 3.17Å; G289-A291 VanDerWaalsContact C-N 3.29Å; G289-A291 PolarHBondContact O-N 3.45Å; A291-R294 PolarHBondContact O-N 2.79Å; A291-E295 WeakPolarHBondContact O-CB 3.21Å; A291-E295 PolarHBondContact O-N 2.89Å
292	L	87.5	Confident	85.6	Confident	96 Å²	96	93 Å²	93	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-66.7	-41.5	177	-70.3	169.5	0	0	0	112.3	E288 G289 E295 T296	E288-L292 HydrophobicContact CG-CD1 4.4Å; E288-L292 WeakPolarHBondContact O-CG 3.11Å; E288-L292 PolarHBondContact O-N 3.45Å; G289-L292 PolarHBondContact O-N 3.41Å; L292-E295 PolarHBondContact O-N 3.21Å; L292-T296 WeakPolarHBondContact O-CB 3.47Å; L292-T296 PolarHBondContact O-N 3.49Å; L292-T296 PolarHBondContact O-OG1 2.88Å
293	E	84.5	Confident	85.2	Confident	132 Å²	132	96.1 Å²	96.1	62%	0.617	50%	0.499	S	S	*	.	H	α-helix	trans	-60.8	-46	172.6	-75.6	-177.1	178.5	0	0	111	G289 E295 T296 L297	G289-E293 PolarHBondContact O-N 3.26Å; E293-E295 PolarHBondContact O-N 3.13Å; E293-T296 PolarHBondContact O-N 2.98Å; E293-L297 WeakPolarHBondContact O-CB 3.47Å; E293-L297 WeakPolarHBondContact O-CG 3.16Å; E293-L297 PolarHBondContact O-N 3.03Å
294	R	87	Confident	84.8	Confident	184 Å²	184	97.9 Å²	97.9	69%	0.694	50%	0.499	S	S	*	.	H	α-helix	trans	-60.9	-42.4	175.8	-177.8	179.5	174.9	-173	-2.2	112.1	I290 A291 T296 L297 V298	I290-R294 VanDerWaalsContact O-CB 3.23Å; I290-R294 WeakPolarHBondContact O-CB 3.24Å; I290-R294 PolarHBondContact O-N 2.83Å; A291-R294 PolarHBondContact O-N 2.79Å; R294-T296 VanDerWaalsContact C-N 3.32Å; R294-L297 PolarHBondContact O-N 2.82Å; R294-V298 WeakPolarHBondContact O-CB 3.33Å; R294-V298 VanDerWaalsContact O-CG2 3.28Å; R294-V298 WeakPolarHBondContact O-CG2 3.34Å; R294-V298 PolarHBondContact O-N 2.89Å
295	E	85.4	Confident	84.5	Confident	89 Å²	89	101.1 Å²	101.1	42%	0.416	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-38	177.2	-160.8	-168.7	144.3	0	0	111.5	A291 L292 E293 V298 R299	A291-E295 WeakPolarHBondContact O-CB 3.21Å; A291-E295 PolarHBondContact O-N 2.89Å; L292-E295 PolarHBondContact O-N 3.21Å; E293-E295 PolarHBondContact O-N 3.13Å; E295-V298 PolarHBondContact O-N 3.03Å; E295-R299 VanDerWaalsContact CD-NH1 3.32Å; E295-R299 PolarHBondContact O-N 2.93Å; E295-R299 IonicContact OE1-CZ 3.87Å; E295-R299 IonicContact OE1-NH1 3.11Å; E295-R299 PolarHBondContact OE1-NH1 3.36Å; E295-R299 IonicContact OE1-NH2 3.34Å; E295-R299 PolarHBondContact OE1-NH2 3.31Å
296	T	86	Confident	84.1	Confident	71 Å²	71	100.1 Å²	100.1	44%	0.436	51%	0.505	S	S	.	.	H	α-helix	trans	-66.7	-44.5	175.4	-55.5	0	0	0	0	111.7	L292 E293 R294 V298 R299 Q300	L292-T296 WeakPolarHBondContact O-CB 3.47Å; L292-T296 PolarHBondContact O-N 3.49Å; L292-T296 PolarHBondContact O-OG1 2.88Å; E293-T296 PolarHBondContact O-N 2.98Å; R294-T296 VanDerWaalsContact C-N 3.32Å; T296-V298 VanDerWaalsContact C-N 3.35Å; T296-V298 PolarHBondContact O-N 2.78Å; T296-R299 PolarHBondContact O-N 3.04Å; T296-Q300 WeakPolarHBondContact O-CG 3.26Å; T296-Q300 PolarHBondContact O-N 2.85Å
297	L	84.9	Confident	83.8	Confident	99 Å²	99	98.4 Å²	98.4	52%	0.518	50%	0.496	S	S	.	.	H	α-helix	trans	-63.4	-38.5	174.9	-72.1	168.6	0	0	0	112	E293 R294 Q300 L301	E293-L297 WeakPolarHBondContact O-CB 3.47Å; E293-L297 WeakPolarHBondContact O-CG 3.16Å; E293-L297 PolarHBondContact O-N 3.03Å; R294-L297 PolarHBondContact O-N 2.82Å; L297-Q300 PolarHBondContact O-N 2.98Å; L297-L301 WeakPolarHBondContact O-CG 3.36Å; L297-L301 PolarHBondContact O-N 3.29Å
298	V	86.3	Confident	83.3	Confident	67 Å²	67	99.8 Å²	99.8	41%	0.406	50%	0.498	S	S	.	.	H	α-helix	trans	-63	-45.6	173.5	168.3	0	0	0	0	111	R294 E295 T296 Q300 L301 D302	R294-V298 WeakPolarHBondContact O-CB 3.33Å; R294-V298 VanDerWaalsContact O-CG2 3.28Å; R294-V298 WeakPolarHBondContact O-CG2 3.34Å; R294-V298 PolarHBondContact O-N 2.89Å; E295-V298 PolarHBondContact O-N 3.03Å; T296-V298 VanDerWaalsContact C-N 3.35Å; T296-V298 PolarHBondContact O-N 2.78Å; V298-Q300 VanDerWaalsContact C-N 3.31Å; V298-Q300 PolarHBondContact O-N 2.85Å; V298-L301 PolarHBondContact O-N 3.18Å; V298-D302 PolarHBondContact O-N 3.16Å
299	R	83	Confident	82.9	Confident	150 Å²	150	99.4 Å²	99.4	57%	0.566	50%	0.496	S	S	*	.	H	α-helix	trans	-58.8	-40.2	173.9	-76.6	-170.5	179.5	88.9	8.5	112.8	E295 T296 D302 M303	E295-R299 VanDerWaalsContact CD-NH1 3.32Å; E295-R299 PolarHBondContact O-N 2.93Å; E295-R299 IonicContact OE1-CZ 3.87Å; E295-R299 IonicContact OE1-NH1 3.11Å; E295-R299 PolarHBondContact OE1-NH1 3.36Å; E295-R299 IonicContact OE1-NH2 3.34Å; E295-R299 PolarHBondContact OE1-NH2 3.31Å; T296-R299 PolarHBondContact O-N 3.04Å; R299-D302 PolarHBondContact O-N 3.22Å; R299-M303 WeakPolarHBondContact O-CB 3.49Å; R299-M303 PolarHBondContact O-N 3.22Å
300	Q	83.5	Confident	82.3	Confident	102 Å²	102	104.2 Å²	104.2	48%	0.477	51%	0.508	S	S	.	.	H	α-helix	trans	-66	-41.8	176.2	-71.8	175.5	1	0	0	111.7	T296 L297 V298 M303 L304	T296-Q300 WeakPolarHBondContact O-CG 3.26Å; T296-Q300 PolarHBondContact O-N 2.85Å; L297-Q300 PolarHBondContact O-N 2.98Å; V298-Q300 VanDerWaalsContact C-N 3.31Å; V298-Q300 PolarHBondContact O-N 2.85Å; Q300-M303 PolarHBondContact O-N 2.84Å; Q300-L304 WeakPolarHBondContact O-CB 3.47Å; Q300-L304 WeakPolarHBondContact O-CG 3.43Å; Q300-L304 PolarHBondContact O-N 3.46Å
301	L	81.3	Confident	81.6	Confident	100 Å²	100	103.9 Å²	103.9	52%	0.524	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-40.4	174.9	-76.4	169.4	0	0	0	112.4	L297 V298 L304 R305	L297-L301 WeakPolarHBondContact O-CG 3.36Å; L297-L301 PolarHBondContact O-N 3.29Å; V298-L301 PolarHBondContact O-N 3.18Å; L301-L304 PolarHBondContact O-N 2.96Å; L301-R305 WeakPolarHBondContact O-CB 3.24Å; L301-R305 VanDerWaalsContact O-CG 3.3Å; L301-R305 WeakPolarHBondContact O-CG 3.45Å; L301-R305 PolarHBondContact O-N 2.71Å
302	D	81.4	Confident	81	Confident	69 Å²	69	104.1 Å²	104.1	37%	0.369	50%	0.503	S	S	.	.	H	α-helix	trans	-71.6	-31.8	176.4	-72.8	-26.6	0	0	0	112.2	V298 R299 R305 T306	V298-D302 PolarHBondContact O-N 3.16Å; R299-D302 PolarHBondContact O-N 3.22Å; D302-R305 PolarHBondContact O-N 3.21Å; D302-R305 WeakPolarHBondContact OD1-CD 3.47Å; D302-R305 IonicContact OD1-CZ 3.84Å; D302-R305 IonicContact OD1-NH1 2.88Å; D302-R305 PolarHBondContact OD1-NH1 3.44Å; D302-T306 WeakPolarHBondContact O-CB 3.39Å; D302-T306 PolarHBondContact O-N 3.06Å; D302-T306 PolarHBondContact O-OG1 2.78Å
303	M	80.4	Confident	80	Confident	118 Å²	118	103.1 Å²	103.1	58%	0.581	50%	0.498	S	S	*	.	H	α-helix	trans	-65	-44.7	169.7	-160.7	-165.6	-50.9	0	0	111.3	R299 Q300 T306 I307	R299-M303 WeakPolarHBondContact O-CB 3.49Å; R299-M303 PolarHBondContact O-N 3.22Å; Q300-M303 PolarHBondContact O-N 2.84Å; M303-T306 WeakPolarHBondContact O-CB 3.44Å; M303-T306 PolarHBondContact O-N 3.06Å; M303-I307 HydrophobicContact CG-CD1 4.27Å; M303-I307 WeakPolarHBondContact O-CG1 3.48Å; M303-I307 PolarHBondContact O-N 2.85Å
304	L	80.3	Confident	79	Confident	96 Å²	96	102 Å²	102	50%	0.503	49%	0.493	S	S	.	.	H	α-helix	trans	-62.8	-40.3	174.4	-75.5	167.7	0	0	0	112.2	Q300 L301 T306 I307 N308	Q300-L304 WeakPolarHBondContact O-CB 3.47Å; Q300-L304 WeakPolarHBondContact O-CG 3.43Å; Q300-L304 PolarHBondContact O-N 3.46Å; L301-L304 PolarHBondContact O-N 2.96Å; L304-T306 VanDerWaalsContact C-N 3.35Å; L304-I307 PolarHBondContact O-N 2.96Å; L304-N308 WeakPolarHBondContact O-CB 3.5Å; L304-N308 PolarHBondContact O-N 3.29Å; L304-N308 PolarHBondContact O-ND2 3.1Å
305	R	81.3	Confident	77.7	Confident	173 Å²	173	99.6 Å²	99.6	65%	0.653	49%	0.489	S	S	*	.	H	α-helix	trans	-60.6	-43.3	171.4	-77	166.9	169.3	176.8	-6.4	111.6	L301 D302 N308 Q309	L301-R305 WeakPolarHBondContact O-CB 3.24Å; L301-R305 VanDerWaalsContact O-CG 3.3Å; L301-R305 WeakPolarHBondContact O-CG 3.45Å; L301-R305 PolarHBondContact O-N 2.71Å; D302-R305 PolarHBondContact O-N 3.21Å; D302-R305 WeakPolarHBondContact OD1-CD 3.47Å; D302-R305 IonicContact OD1-CZ 3.84Å; D302-R305 IonicContact OD1-NH1 2.88Å; D302-R305 PolarHBondContact OD1-NH1 3.44Å; R305-N308 PolarHBondContact O-N 3.08Å; R305-Q309 VanDerWaalsContact O-CB 3.32Å; R305-Q309 WeakPolarHBondContact O-CB 3.42Å; R305-Q309 PolarHBondContact O-N 3.44Å
306	T	80.2	Confident	76.3	Confident	76 Å²	76	100.3 Å²	100.3	47%	0.466	49%	0.492	S	S	.	.	H	α-helix	trans	-66.3	-38	178.4	-53.8	0	0	0	0	111.9	D302 M303 L304 K310	D302-T306 WeakPolarHBondContact O-CB 3.39Å; D302-T306 PolarHBondContact O-N 3.06Å; D302-T306 PolarHBondContact O-OG1 2.78Å; M303-T306 WeakPolarHBondContact O-CB 3.44Å; M303-T306 PolarHBondContact O-N 3.06Å; L304-T306 VanDerWaalsContact C-N 3.35Å; T306-K310 WeakPolarHBondContact O-CG 3.5Å; T306-K310 PolarHBondContact O-N 3.17Å
307	I	79.2	Confident	74.9	Confident	80 Å²	80	104.4 Å²	104.4	41%	0.41	51%	0.505	S	S	.	.	H	α-helix	trans	-68.2	-46.9	174.9	-68.7	163.8	0	0	0	110.4	M303 L304 Q309 K310 L311	M303-I307 HydrophobicContact CG-CD1 4.27Å; M303-I307 WeakPolarHBondContact O-CG1 3.48Å; M303-I307 PolarHBondContact O-N 2.85Å; L304-I307 PolarHBondContact O-N 2.96Å; I307-Q309 VanDerWaalsContact C-N 3.31Å; I307-Q309 PolarHBondContact O-N 2.9Å; I307-K310 PolarHBondContact O-N 3.15Å; I307-L311 HydrophobicContact CG2-CD1 4.01Å; I307-L311 HydrophobicContact CG2-CG 4.47Å; I307-L311 WeakPolarHBondContact O-CG 3.36Å; I307-L311 PolarHBondContact O-N 3.05Å
308	N	74.4	Confident	73.4	Confident	95 Å²	95	106.2 Å²	106.2	51%	0.508	51%	0.508	S	S	.	.	H	α-helix	trans	-62	-38.7	175.7	-77.9	-23.4	0	0	0	111.9	L304 R305 L311 V312	L304-N308 WeakPolarHBondContact O-CB 3.5Å; L304-N308 PolarHBondContact O-N 3.29Å; L304-N308 PolarHBondContact O-ND2 3.1Å; R305-N308 PolarHBondContact O-N 3.08Å; N308-L311 PolarHBondContact O-N 2.59Å; N308-V312 WeakPolarHBondContact O-CG2 3.32Å; N308-V312 PolarHBondContact O-N 3.08Å
309	Q	78.1	Confident	71.7	Confident	107 Å²	107	106.6 Å²	106.6	50%	0.5	51%	0.514	S	S	.	.	H	α-helix	trans	-59.2	-50.9	173.2	-171.1	63.8	56.3	0	0	110.3	R305 I307 L311 V312 D313	R305-Q309 VanDerWaalsContact O-CB 3.32Å; R305-Q309 WeakPolarHBondContact O-CB 3.42Å; R305-Q309 PolarHBondContact O-N 3.44Å; I307-Q309 VanDerWaalsContact C-N 3.31Å; I307-Q309 PolarHBondContact O-N 2.9Å; Q309-L311 VanDerWaalsContact C-N 3.3Å; Q309-L311 PolarHBondContact O-N 2.97Å; Q309-V312 CarbonylContact O-C 3.59Å; Q309-V312 WeakPolarHBondContact O-CB 3.21Å; Q309-V312 PolarHBondContact O-N 2.75Å; Q309-V312 VanDerWaalsContact O-N 3.1Å; Q309-D313 PolarHBondContact NE2-OD1 2.66Å; Q309-D313 PolarHBondContact O-N 2.88Å; Q309-D313 VanDerWaalsContact O-OD1 3.12Å
310	K	75.4	Confident	70	Confident	134 Å²	134	106.2 Å²	106.2	58%	0.583	52%	0.518	S	S	*	.	H	α-helix	trans	-59.8	-36.3	176.1	-73	178.7	178.1	-174.8	0	113.7	T306 I307 D313 E314	T306-K310 WeakPolarHBondContact O-CG 3.5Å; T306-K310 PolarHBondContact O-N 3.17Å; I307-K310 PolarHBondContact O-N 3.15Å; K310-D313 PolarHBondContact O-N 3.11Å; K310-E314 WeakPolarHBondContact O-CB 3.33Å; K310-E314 PolarHBondContact O-N 3.22Å
311	L	69.2	Low	68.1	Low	89 Å²	89	107 Å²	107	47%	0.466	53%	0.531	S	S	.	.	H	α-helix	trans	-69	-37.5	175.9	-72.4	170.5	0	0	0	111.8	I307 N308 Q309 Q315	I307-L311 HydrophobicContact CG2-CD1 4.01Å; I307-L311 HydrophobicContact CG2-CG 4.47Å; I307-L311 WeakPolarHBondContact O-CG 3.36Å; I307-L311 PolarHBondContact O-N 3.05Å; N308-L311 PolarHBondContact O-N 2.59Å; Q309-L311 VanDerWaalsContact C-N 3.3Å; Q309-L311 PolarHBondContact O-N 2.97Å; L311-Q315 WeakPolarHBondContact O-CB 3.27Å; L311-Q315 WeakPolarHBondContact O-CG 3.36Å; L311-Q315 PolarHBondContact O-N 2.98Å
312	V	72.8	Confident	65.9	Low	60 Å²	60	108.4 Å²	108.4	36%	0.364	54%	0.538	S	S	.	.	H	α-helix	trans	-65.5	-47.5	170.6	170.5	0	0	0	0	109.9	N308 Q309 E314 Q315 E316	N308-V312 WeakPolarHBondContact O-CG2 3.32Å; N308-V312 PolarHBondContact O-N 3.08Å; Q309-V312 CarbonylContact O-C 3.59Å; Q309-V312 WeakPolarHBondContact O-CB 3.21Å; Q309-V312 PolarHBondContact O-N 2.75Å; Q309-V312 VanDerWaalsContact O-N 3.1Å; V312-E314 VanDerWaalsContact C-N 3.31Å; V312-E314 PolarHBondContact O-N 3.4Å; V312-Q315 CarbonylContact O-C 3.56Å; V312-Q315 PolarHBondContact O-N 3.38Å; V312-E316 HydrophobicContact CG1-CG 4.24Å; V312-E316 WeakPolarHBondContact O-CB 3.37Å; V312-E316 WeakPolarHBondContact O-CG 3.32Å; V312-E316 PolarHBondContact O-N 2.72Å
313	D	65.5	Low	63.9	Low	74 Å²	74	114.7 Å²	114.7	40%	0.396	56%	0.558	S	S	.	*	H	α-helix	trans	-59.9	-38.8	178	-54.9	-20	0	0	0	111.5	Q309 K310 F317	Q309-D313 PolarHBondContact NE2-OD1 2.66Å; Q309-D313 PolarHBondContact O-N 2.88Å; Q309-D313 VanDerWaalsContact O-OD1 3.12Å; K310-D313 PolarHBondContact O-N 3.11Å; D313-F317 WeakPolarHBondContact O-CB 3.44Å; D313-F317 PolarHBondContact O-N 3.47Å
314	E	63.2	Low	61.6	Low	110 Å²	110	112.7 Å²	112.7	51%	0.514	56%	0.56	S	S	.	*	H	α-helix	trans	-70.1	-36.3	172.9	-83.4	-165.1	-163.4	0	0	113.4	K310 V312 K318	K310-E314 WeakPolarHBondContact O-CB 3.33Å; K310-E314 PolarHBondContact O-N 3.22Å; V312-E314 VanDerWaalsContact C-N 3.31Å; V312-E314 PolarHBondContact O-N 3.4Å; E314-K318 WeakPolarHBondContact O-CB 3.49Å; E314-K318 WeakPolarHBondContact O-CD 3.38Å; E314-K318 WeakPolarHBondContact O-CG 3.19Å; E314-K318 PolarHBondContact O-N 3.48Å; E314-K318 IonicContact OE2-NZ 3.51Å
315	Q	60.2	Low	59.4	Low	133 Å²	133	114.2 Å²	114.2	62%	0.621	57%	0.573	S	S	*	*	H	α-helix	trans	-69.7	-37.6	173.5	-80.1	-173.7	-19.6	0	0	111.3	L311 V312 K318 S319	L311-Q315 WeakPolarHBondContact O-CB 3.27Å; L311-Q315 WeakPolarHBondContact O-CG 3.36Å; L311-Q315 PolarHBondContact O-N 2.98Å; V312-Q315 CarbonylContact O-C 3.56Å; V312-Q315 PolarHBondContact O-N 3.38Å; Q315-K318 PolarHBondContact O-N 2.85Å; Q315-S319 VanDerWaalsContact O-CB 3.27Å; Q315-S319 WeakPolarHBondContact O-CB 3.36Å; Q315-S319 PolarHBondContact O-N 2.73Å; Q315-S319 PolarHBondContact O-OG 2.93Å
316	E	55.9	Low	57	Low	103 Å²	103	113.9 Å²	113.9	48%	0.481	58%	0.576	S	S	.	*	H	α-helix	trans	-68.1	-40	173.5	-74.2	-169.2	179.4	0	0	111	V312 K318 S319 Q320	V312-E316 HydrophobicContact CG1-CG 4.24Å; V312-E316 WeakPolarHBondContact O-CB 3.37Å; V312-E316 WeakPolarHBondContact O-CG 3.32Å; V312-E316 PolarHBondContact O-N 2.72Å; E316-K318 VanDerWaalsContact C-N 3.34Å; E316-K318 PolarHBondContact O-N 2.94Å; E316-S319 CarbonylContact O-C 3.6Å; E316-S319 PolarHBondContact O-N 3.3Å; E316-S319 VanDerWaalsContact O-N 3.08Å; E316-Q320 WeakPolarHBondContact O-CB 3.39Å; E316-Q320 VanDerWaalsContact O-CG 3.24Å; E316-Q320 WeakPolarHBondContact O-CG 2.95Å; E316-Q320 PolarHBondContact O-N 3.35Å
317	F	56.8	Low	54.6	Low	158 Å²	158	118 Å²	118	69%	0.693	59%	0.591	S	S	*	*	H	α-helix	trans	-61.7	-40.6	173	-171.6	-98.3	0	0	0	112.3	D313 S319 T321	D313-F317 WeakPolarHBondContact O-CB 3.44Å; D313-F317 PolarHBondContact O-N 3.47Å; F317-S319 VanDerWaalsContact C-N 3.31Å; F317-T321 PolarHBondContact O-OG1 3.28Å
318	K	53.7	Low	52.2	Low	137 Å²	137	119.7 Å²	119.7	60%	0.596	61%	0.605	S	S	*	*	H	α-helix	trans	-70.3	-24.1	172.8	-73.8	165.2	-177.2	149.7	0	113.3	E314 Q315 E316	E314-K318 WeakPolarHBondContact O-CB 3.49Å; E314-K318 WeakPolarHBondContact O-CD 3.38Å; E314-K318 WeakPolarHBondContact O-CG 3.19Å; E314-K318 PolarHBondContact O-N 3.48Å; E314-K318 IonicContact OE2-NZ 3.51Å; Q315-K318 PolarHBondContact O-N 2.85Å; E316-K318 VanDerWaalsContact C-N 3.34Å; E316-K318 PolarHBondContact O-N 2.94Å
319	S	49.9	Very low	50.3	Low	74 Å²	74	120 Å²	120	52%	0.517	61%	0.614	S	S	.	*	H	α-helix	trans	-90.1	-27.5	178.2	-56.1	0	0	0	0	112.7	Q315 E316 F317 T321 L322	Q315-S319 VanDerWaalsContact O-CB 3.27Å; Q315-S319 WeakPolarHBondContact O-CB 3.36Å; Q315-S319 PolarHBondContact O-N 2.73Å; Q315-S319 PolarHBondContact O-OG 2.93Å; E316-S319 CarbonylContact O-C 3.6Å; E316-S319 PolarHBondContact O-N 3.3Å; E316-S319 VanDerWaalsContact O-N 3.08Å; F317-S319 VanDerWaalsContact C-N 3.31Å; S319-T321 PolarHBondContact O-N 2.88Å; S319-L322 CarbonylContact O-C 3.53Å; S319-L322 VanDerWaalsContact O-C 3.3Å; S319-L322 WeakPolarHBondContact O-CA 3.4Å; S319-L322 PolarHBondContact O-N 2.83Å
320	Q	47.6	Very low	48	Very low	142 Å²	142	123.5 Å²	123.5	66%	0.664	63%	0.63	S	S	*	*	H	α-helix	trans	-71.2	-14.6	176.8	-77.4	174.3	19.3	0	0	113.2	E316 L322	E316-Q320 WeakPolarHBondContact O-CB 3.39Å; E316-Q320 VanDerWaalsContact O-CG 3.24Å; E316-Q320 WeakPolarHBondContact O-CG 2.95Å; E316-Q320 PolarHBondContact O-N 3.35Å; Q320-L322 VanDerWaalsContact C-N 3.3Å
321	T	42.8	Very low	45.8	Very low	120 Å²	120	123 Å²	123	74%	0.736	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-3.2	166.2	9.8	0	0	0	0	113.6	F317 S319	F317-T321 PolarHBondContact O-OG1 3.28Å; S319-T321 PolarHBondContact O-N 2.88Å
322	L	35.8	Very low	44.2	Very low	128 Å²	128	125.5 Å²	125.5	67%	0.67	65%	0.651	S	S	*	*	S	Bend	trans	-131.4	61.1	179.4	-111.3	171.5	0	0	0	111.1	S319 Q320	S319-L322 CarbonylContact O-C 3.53Å; S319-L322 VanDerWaalsContact O-C 3.3Å; S319-L322 WeakPolarHBondContact O-CA 3.4Å; S319-L322 PolarHBondContact O-N 2.83Å; Q320-L322 VanDerWaalsContact C-N 3.3Å
323	Y	39.1	Very low	42.3	Very low	201 Å²	201	129.7 Å²	129.7	79%	0.788	67%	0.671	S	S	*	*			trans	58.3	99.6	168.6	-53.6	-87.7	0	0	0	114.6
324	A	31.4	Very low	40.9	Very low	77 Å²	77	132.1 Å²	132.1	64%	0.636	68%	0.684	S	S	*	*				48.3	124.6	78.8	0	0	0	0	0	114
325	V	34.8	Very low	39.6	Very low	127 Å²	127	136.6 Å²	136.6	77%	0.77	70%	0.696	S	S	*	*			trans	91.2	93	168.3	-168.2	0	0	0	0	116.5
326	K	32.2	Very low	38.3	Very low	167 Å²	167	136.1 Å²	136.1	73%	0.726	70%	0.698	S	S	*	*			trans	91.1	111.1	143.7	-66.2	-177.1	173.3	-176.6	0	118.7
327	E	29.3	Very low	37.3	Very low	163 Å²	163	141.5 Å²	141.5	76%	0.762	72%	0.72	S	S	*	*				74.9	135.2	61.1	-72.5	-177.9	156.7	0	0	112.4
328	T	28.9	Very low	36.3	Very low	115 Å²	115	141.2 Å²	141.2	71%	0.706	72%	0.72	S	S	*	*			cis	-156.1	151.1	-19.9	-66.5	0	0	0	0	106.9
329	S	33	Very low	35.3	Very low	102 Å²	102	138 Å²	138	71%	0.713	72%	0.715	S	S	*	*			trans	-50.7	151.8	171.2	-46.8	0	0	0	0	114.5
330	Q	30.5	Very low	34.5	Very low	179 Å²	179	143.5 Å²	143.5	84%	0.836	73%	0.73	S	S	*	*			trans	150.4	131.7	132.6	-83.5	168.1	23.8	0	0	110.6
331	T	29.5	Very low	33.7	Very low	124 Å²	124	141.1 Å²	141.1	76%	0.761	73%	0.729	S	S	*	*				174.6	138.3	128	25.8	0	0	0	0	112.7
332	I	35.1	Very low	33.4	Very low	142 Å²	142	144.4 Å²	144.4	73%	0.728	74%	0.736	S	S	*	*			trans	61.9	96.8	142.9	-57.3	161.8	0	0	0	115.7
333	D	33.6	Very low	33.1	Very low	147 Å²	147	143.2 Å²	143.2	79%	0.786	74%	0.738	S	S	*	*				63.9	125.7	62.4	-164.4	17.3	0	0	0	113.8
334	L	35.6	Very low	32.7	Very low	125 Å²	125	140.7 Å²	140.7	65%	0.654	74%	0.738	S	S	*	*			trans	-179.7	105.7	163.6	-102.1	166.4	0	0	0	112.6
335	R	35.7	Very low	32.7	Very low	204 Å²	204	144 Å²	144	77%	0.77	75%	0.745	S	S	*	*			trans	67.7	111.9	143.8	-68.8	175.4	-173	149.1	7.1	118.8
336	D	32.8	Very low	32.7	Very low	124 Å²	124	145.8 Å²	145.8	66%	0.663	75%	0.746	S	S	*	*				100.1	100.5	58.9	-83.9	-35.9	0	0	0	111.3
337	F	34.7	Very low	32.8	Very low	215 Å²	215	143.8 Å²	143.8	94%	0.943	75%	0.748	S	S	*	*			trans	-113.3	89.7	155	-115.7	-88.1	0	0	0	108.3	S339	F337-S339 PolarHBondContact O-N 2.78Å
338	H	37.4	Very low	32.8	Very low	152 Å²	152	140.8 Å²	140.8	70%	0.704	75%	0.746	S	S	*	*			trans	-56.3	122.9	163.2	-82.8	-72.2	0	0	0	108.2
339	S	32.8	Very low	33	Very low	70 Å²	70	139.4 Å²	139.4	49%	0.49	75%	0.746	S	S	.	*			cis	85.8	130.6	46.6	85.8	0	0	0	0	114	F337	F337-S339 PolarHBondContact O-N 2.78Å
340	K	31.4	Very low	33.1	Very low	190 Å²	190	144 Å²	144	83%	0.826	75%	0.753	S	S	*	*			trans	72.6	149.8	150.7	-67.1	169.9	179.5	177	0	116.5
341	S	31.6	Very low	33.2	Very low	92 Å²	92	140.2 Å²	140.2	64%	0.643	75%	0.752	S	S	*	*			cis	-157	143.9	-6.7	-107.1	0	0	0	0	107.2
342	Q	35.6	Very low	33.5	Very low	189 Å²	189	139.4 Å²	139.4	88%	0.883	75%	0.751	S	S	*	*				53.2	98.8	69.6	-89.9	-169.3	-9.1	0	0	115.6
343	S	30.3	Very low	33.3	Very low	102 Å²	102	140.1 Å²	140.1	71%	0.713	76%	0.757	S	S	*	*			trans	-148.9	124.5	142.7	58.9	0	0	0	0	105.8
344	L	30.3	Very low	33.4	Very low	149 Å²	149	138.7 Å²	138.7	78%	0.78	75%	0.754	S	S	*	*				60.3	126.3	81.7	-57.7	161.5	0	0	0	110
345	D	30.9	Very low	33.2	Very low	146 Å²	146	138.7 Å²	138.7	78%	0.781	76%	0.759	S	S	*	*			cis	-149.8	165.7	39	-99.9	-49.4	0	0	0	117.4
346	M	35	Very low	33.3	Very low	164 Å²	164	136 Å²	136	81%	0.808	76%	0.758	S	S	*	*			trans	-83.1	123.6	162.8	-102.2	-112.6	64.3	0	0	111.1
347	T	34.2	Very low	33.3	Very low	125 Å²	125	140 Å²	140	77%	0.767	77%	0.77	S	S	*	*			trans	-162.7	121.9	152.8	28.8	0	0	0	0	108.1
348	S	30.6	Very low	33.5	Very low	101 Å²	101	136.2 Å²	136.2	71%	0.706	76%	0.76	S	S	*	*				86.7	97.4	73.7	-172.1	0	0	0	0	114.8
349	A	33	Very low	33.5	Very low	85 Å²	85	135.2 Å²	135.2	70%	0.702	76%	0.764	S	S	*	*			trans	72.6	149.6	139	0	0	0	0	0	122.7
350	K	34.8	Very low	33.7	Very low	199 Å²	199	136.4 Å²	136.4	87%	0.865	78%	0.779	S	S	*	*			trans	74	118	168	-56.5	173.5	-176.9	177	0	115.1
351	A	32.1	Very low	34	Very low	100 Å²	100	131.7 Å²	131.7	83%	0.826	78%	0.775	S	S	*	*			cis	82.8	87.6	44.3	0	0	0	0	0	114.4
352	S	35.8	Very low	34.2	Very low	106 Å²	106	135.6 Å²	135.6	74%	0.741	79%	0.788	S	S	*	*			trans	178.1	101.2	149.5	52.8	0	0	0	0	106
353	D	30.5	Very low	34.3	Very low	157 Å²	157	131.3 Å²	131.3	84%	0.84	78%	0.776	S	S	*	*				70.6	105.6	86.7	-162.3	13.1	0	0	0	111.4
354	T	36.2	Very low	34.6	Very low	117 Å²	117	134.3 Å²	134.3	72%	0.718	78%	0.779	S	S	*	*			trans	-154.4	83.2	-179.3	-38.1	0	0	0	0	110.1	I356	T354-I356 PolarHBondContact O-N 2.77Å
355	T	32.2	Very low	34.9	Very low	126 Å²	126	134.7 Å²	134.7	77%	0.773	78%	0.78	S	S	*	*			trans	16.5	103.9	140.2	51.2	0	0	0	0	117.6
356	I	36.8	Very low	34.8	Very low	146 Å²	146	135.9 Å²	135.9	75%	0.749	79%	0.786	S	S	*	*			trans	-125.6	108.3	146.9	-59.1	177.9	0	0	0	107	T354	T354-I356 PolarHBondContact O-N 2.77Å
357	K	34.1	Very low	34.7	Very low	209 Å²	209	138.8 Å²	138.8	91%	0.909	79%	0.788	S	S	*	*			trans	-137.7	86.4	162.4	-90.3	-163.3	173	-175.8	0	107.9
358	D	37.7	Very low	34.7	Very low	136 Å²	136	137.6 Å²	137.6	73%	0.727	78%	0.784	S	S	*	*			trans	-72.5	133.6	169.4	-72.2	-45.8	0	0	0	110.5
359	T	36.9	Very low	34.9	Very low	130 Å²	130	136.9 Å²	136.9	80%	0.798	78%	0.78	S	S	*	*			trans	7.8	140.4	136	63.7	0	0	0	0	117.3
360	A	38.2	Very low	34.9	Very low	96 Å²	96	138.5 Å²	138.5	79%	0.793	78%	0.781	S	S	*	*			cis	-165	177.6	21.5	0	0	0	0	0	110.5
361	A	38.2	Very low	34.9	Very low	91 Å²	91	135.4 Å²	135.4	75%	0.752	77%	0.774	S	S	*	*			cis	177.1	137.9	-41.5	0	0	0	0	0	108.4
362	L	35.9	Very low	35.3	Very low	174 Å²	174	137.6 Å²	137.6	91%	0.911	77%	0.771	S	S	*	*			trans	-156.7	140.1	161.2	-102.7	165.2	0	0	0	110
363	P	37	Very low	35.2	Very low	98 Å²	98	139.4 Å²	139.4	64%	0.636	77%	0.772	S	S	*	*			trans	-116.7	-173.3	-167.8	35	-18.1	0	0	0	114.7
364	H	35.3	Very low	35.5	Very low	166 Å²	166	135.4 Å²	135.4	77%	0.769	76%	0.761	S	S	*	*			trans	80.4	130	175.1	-64.7	-73.7	0	0	0	115.7
365	L	37	Very low	35.6	Very low	156 Å²	156	136.2 Å²	136.2	82%	0.817	77%	0.766	S	S	*	*			cis	-146.6	142.1	6.6	-99.4	144	0	0	0	111.7
366	L	30.1	Very low	35.6	Very low	171 Å²	171	137 Å²	137	90%	0.895	77%	0.765	S	S	*	*			trans	-113.1	136.1	160.5	-88.9	165.6	0	0	0	108.5
367	R	33.1	Very low	35.5	Very low	226 Å²	226	139.2 Å²	139.2	85%	0.853	77%	0.77	S	S	*	*			trans	-159.7	108.4	151.2	-167.7	166.4	-171.3	175	3.9	113.9
368	S	33.5	Very low	35.3	Very low	99 Å²	99	136.4 Å²	136.4	69%	0.692	76%	0.76	S	S	*	*			trans	54.2	156.1	146.2	91.9	0	0	0	0	119.1
369	S	34.9	Very low	35.2	Very low	87 Å²	87	136.8 Å²	136.8	61%	0.608	76%	0.761	S	S	*	*			cis	-164.2	145.1	2.9	7.5	0	0	0	0	108.6
370	T	33.3	Very low	34.9	Very low	119 Å²	119	134.4 Å²	134.4	73%	0.73	75%	0.754	S	S	*	*			trans	17.6	139	132.8	58.9	0	0	0	0	118.2
371	D	35	Very low	34.6	Very low	134 Å²	134	137.6 Å²	137.6	72%	0.717	76%	0.758	S	S	*	*			cis	-176.7	168.7	35.3	-124.4	-13.7	0	0	0	111.8
372	L	39.6	Very low	34.3	Very low	146 Å²	146	136.5 Å²	136.5	76%	0.764	75%	0.749	S	S	*	*			trans	67.6	153.2	165	-51.4	141.5	0	0	0	115.9
373	D	33.6	Very low	34.3	Very low	144 Å²	144	139.2 Å²	139.2	77%	0.77	75%	0.747	S	S	*	*			cis	-169.2	159.7	-19.1	-107.2	0.2	0	0	0	106
374	A	36.8	Very low	34	Very low	73 Å²	73	146.4 Å²	146.4	60%	0.603	76%	0.761	S	S	*	*			cis	-165.4	-166	-12.9	0	0	0	0	0	108.3
375	T	38.4	Very low	33.8	Very low	134 Å²	134	142.3 Å²	142.3	82%	0.822	76%	0.764	S	S	*	*			trans	62.9	94.8	171.4	65.2	0	0	0	0	115.5
376	N	31.7	Very low	33.5	Very low	141 Å²	141	139.7 Å²	139.7	75%	0.754	76%	0.759	S	S	*	*				51.9	99.3	64.5	-72.8	3.9	0	0	0	116.1
377	F	34.6	Very low	33.7	Very low	193 Å²	193	137.2 Å²	137.2	85%	0.846	75%	0.751	S	S	*	*				-138.4	101.1	122.5	-158.8	-94.3	0	0	0	109.8	I379	F377-I379 HydrophobicContact CE1-CD1 4.33Å; F377-I379 HydrophobicContact CZ-CD1 4.31Å
378	E	30.6	Very low	33.6	Very low	150 Å²	150	135.1 Å²	135.1	70%	0.701	76%	0.756	S	S	*	*			trans	-75.4	161.5	167	-62.5	176.7	120.2	0	0	110.8
379	I	34.9	Very low	33.5	Very low	145 Å²	145	134.9 Å²	134.9	74%	0.744	75%	0.754	S	S	*	*			trans	152.2	87.8	144	-77.6	153.9	0	0	0	104.8	F377	F377-I379 HydrophobicContact CE1-CD1 4.33Å; F377-I379 HydrophobicContact CZ-CD1 4.31Å
380	A	31.3	Very low	33.4	Very low	80 Å²	80	137.7 Å²	137.7	66%	0.661	76%	0.762	S	S	*	*				80.6	139.9	59.8	0	0	0	0	0	113.9
381	D	32.4	Very low	33.5	Very low	162 Å²	162	142.6 Å²	142.6	87%	0.866	77%	0.769	S	S	*	*			trans	66.4	146.2	166	-73.2	-7.8	0	0	0	120.5
382	A	31.5	Very low	33.5	Very low	68 Å²	68	144.8 Å²	144.8	56%	0.562	77%	0.772	S	S	*	*			cis	-171.4	168.9	-23.9	0	0	0	0	0	109.8
383	R	35.2	Very low	33.1	Very low	231 Å²	231	143.8 Å²	143.8	87%	0.872	77%	0.773	S	S	*	*			trans	76.7	107.4	161.7	-56.7	161.8	-168.3	-168.2	2.6	114.6
384	R	30.7	Very low	33.2	Very low	250 Å²	250	142.1 Å²	142.1	94%	0.943	77%	0.77	S	S	*	*				75.7	120.9	70.8	-87.2	-167.9	168.6	-169.3	-1.7	114
385	G	30.7	Very low	32.9	Very low	80 Å²	80	144 Å²	144	83%	0.825	77%	0.774	S	S	*	*			trans	92.9	132	165.2	0	0	0	0	0	112.2
386	S	32	Very low	32.7	Very low	101 Å²	101	145.9 Å²	145.9	71%	0.706	78%	0.777	S	S	*	*			cis	179.6	170.5	1.8	-179.8	0	0	0	0	105.7
387	T	35	Very low	32.7	Very low	119 Å²	119	145.8 Å²	145.8	73%	0.73	78%	0.775	S	S	*	*			trans	58.3	96.1	156.4	35.8	0	0	0	0	118.3	S389	T387-S389 PolarHBondContact O-N 3.47Å
388	L	29.6	Very low	32.6	Very low	181 Å²	181	144 Å²	144	95%	0.948	78%	0.775	S	S	*	*				20	94.8	118.3	-79.8	160.2	0	0	0	116.8
389	S	31.4	Very low	32.7	Very low	95 Å²	95	143.8 Å²	143.8	66%	0.664	78%	0.778	S	S	*	*			trans	-160.5	167	138.3	79.5	0	0	0	0	110.8	T387	T387-S389 PolarHBondContact O-N 3.47Å
390	N	33.8	Very low	32.7	Very low	145 Å²	145	143.3 Å²	143.3	78%	0.775	78%	0.777	S	S	*	*			trans	78.3	51	165.1	-48.2	-1.6	0	0	0	117.5
391	Y	34	Very low	32.9	Very low	223 Å²	223	144 Å²	144	88%	0.875	78%	0.777	S	S	*	*			trans	-70	142.7	132	-86.8	-102.9	0	0	0	108.2
392	F	36.8	Very low	33.1	Very low	180 Å²	180	143.8 Å²	143.8	79%	0.789	77%	0.774	S	S	*	*			trans	80.4	93.8	178.5	-64.5	-80.9	0	0	0	119.8
393	T	30.8	Very low	33.3	Very low	125 Å²	125	149.9 Å²	149.9	77%	0.767	78%	0.783	S	S	*	*				59.2	165.4	124.8	51.5	0	0	0	0	121.1
394	P	35.4	Very low	33.3	Very low	109 Å²	109	145.3 Å²	145.3	71%	0.708	77%	0.771	S	S	*	*			cis	-133.9	167.9	7.3	37.5	-17.7	0	0	0	118.2
395	V	29.8	Very low	33.4	Very low	113 Å²	113	136.3 Å²	136.3	69%	0.685	76%	0.756	S	S	*	*			trans	26.6	122.9	141	-174	0	0	0	0	120.2	L397	V395-L397 HydrophobicContact CG1-CD2 4.23Å; V395-L397 HydrophobicContact CG1-CG 3.99Å
396	I	34.6	Very low	33.6	Very low	173 Å²	173	139.8 Å²	139.8	89%	0.887	76%	0.756	S	S	*	*			trans	-128	137.2	138.2	-63.9	-176.6	0	0	0	108.2
397	L	32	Very low	33.6	Very low	138 Å²	138	143.4 Å²	143.4	72%	0.723	77%	0.766	S	S	*	*			trans	-88.2	159.7	-175.6	-64.3	161.2	0	0	0	112.3	V395	V395-L397 HydrophobicContact CG1-CD2 4.23Å; V395-L397 HydrophobicContact CG1-CG 3.99Å
398	N	33.2	Very low	33.4	Very low	157 Å²	157	145.4 Å²	145.4	84%	0.84	77%	0.767	S	S	*	*			trans	162.2	95.9	139.2	-81.1	-5.8	0	0	0	106.7
399	D	32.6	Very low	33.6	Very low	145 Å²	145	143.2 Å²	143.2	78%	0.775	76%	0.757	S	S	*	*				105.4	156.2	56.3	-166.6	25	0	0	0	110.4
400	D	34.8	Very low	33.7	Very low	135 Å²	135	145.5 Å²	145.5	72%	0.722	76%	0.76	S	S	*	*			trans	71.5	93.2	-165.2	-70.5	-43.5	0	0	0	116.1
401	S	35.2	Very low	33.5	Very low	94 Å²	94	145.2 Å²	145.2	66%	0.657	76%	0.758	S	S	*	*				74.9	124.6	64.8	87.7	0	0	0	0	111.7
402	I	36.3	Very low	33.4	Very low	157 Å²	157	142.9 Å²	142.9	81%	0.805	76%	0.755	S	S	*	*			cis	-149.3	141.2	33.1	-73.1	167.4	0	0	0	112.2
403	R	34.7	Very low	33.3	Very low	196 Å²	196	138.7 Å²	138.7	74%	0.74	75%	0.754	S	S	*	*			trans	-17	166.1	150.3	-66.9	166.3	64.4	147.5	10.3	118.8
404	E	35.8	Very low	33.2	Very low	136 Å²	136	141.6 Å²	141.6	64%	0.636	76%	0.759	S	S	*	*			cis	-166.4	144.4	-10.4	-104.2	157.9	-167.5	0	0	103.5
405	G	33.6	Very low	33	Very low	60 Å²	60	143.3 Å²	143.3	62%	0.619	76%	0.758	S	S	*	*				97.3	143	65	0	0	0	0	0	109.6
406	D	33.6	Very low	33.2	Very low	154 Å²	154	147.7 Å²	147.7	82%	0.824	76%	0.763	S	S	*	*			cis	-156.3	156.2	-8.8	-75.7	-54.3	0	0	0	108.3
407	L	32.2	Very low	32.9	Very low	177 Å²	177	147.7 Å²	147.7	93%	0.927	76%	0.76	S	S	*	*			trans	-152	89.8	167.5	-112.7	168.4	0	0	0	109.7
408	E	32.5	Very low	32.8	Very low	160 Å²	160	149.1 Å²	149.1	75%	0.748	76%	0.763	S	S	*	*			trans	-118.3	159.1	169.1	-74.9	-166.8	147.8	0	0	110.3
409	N	33.7	Very low	32.9	Very low	136 Å²	136	147.8 Å²	147.8	73%	0.727	76%	0.759	S	S	*	*			trans	77.3	111.5	172	-46.1	-55	0	0	0	113.6
410	I	32.5	Very low	32.8	Very low	142 Å²	142	149.4 Å²	149.4	73%	0.728	76%	0.76	S	S	*	*			cis	53.2	102.9	26.8	-53.9	179.1	0	0	0	108.7
411	D	30	Very low	32.6	Very low	139 Å²	139	150 Å²	150	74%	0.743	76%	0.763	S	S	*	*				-169.1	175.7	57.5	-128.2	-29.5	0	0	0	113.3
412	E	32.5	Very low	32.6	Very low	174 Å²	174	152.1 Å²	152.1	81%	0.813	76%	0.763	S	S	*	*			trans	73.4	132.9	150.2	-74.7	179.4	174.6	0	0	124.8
413	A	33.3	Very low	32.6	Very low	92 Å²	92	154 Å²	154	76%	0.76	76%	0.761	S	S	*	*			trans	77.9	99.2	140.3	0	0	0	0	0	122.2
414	E	30.2	Very low	32.6	Very low	187 Å²	187	150.5 Å²	150.5	87%	0.874	76%	0.764	S	S	*	*				18.9	144.1	128.6	-56.8	-175.7	144.7	0	0	122.7
415	E	29.4	Very low	32.4	Very low	145 Å²	145	147.6 Å²	147.6	68%	0.678	77%	0.771	S	S	*	*			trans	111.2	138.8	132.9	-131.6	173	-150.6	0	0	119.6
416	Y	34.3	Very low	32.4	Very low	204 Å²	204	149.8 Å²	149.8	80%	0.8	78%	0.776	S	S	*	*			trans	91.5	150.5	168.8	-56.9	-70.3	0	0	0	121.9
417	E	29.7	Very low	32.2	Very low	174 Å²	174	149.3 Å²	149.3	81%	0.813	77%	0.772	S	S	*	*			trans	-126.6	171.4	-148.9	-162.7	-176.3	-159.2	0	0	110.9
418	E	30	Very low	32.2	Very low	168 Å²	168	152 Å²	152	79%	0.785	77%	0.772	S	S	*	*			trans	68	135.5	167.4	-55.2	-161.6	125.1	0	0	118.7
419	V	34.6	Very low	32.2	Very low	128 Å²	128	150.4 Å²	150.4	78%	0.776	77%	0.773	S	S	*	*				-174.2	113.7	111.2	149.5	0	0	0	0	111.5
420	F	30.8	Very low	32.1	Very low	179 Å²	179	149.9 Å²	149.9	79%	0.785	78%	0.777	S	S	*	*			trans	74	120.6	146.2	-86.5	-105.4	0	0	0	125.7
421	N	29.7	Very low	32.2	Very low	147 Å²	147	151.7 Å²	151.7	79%	0.786	78%	0.782	S	S	*	*			trans	-61.2	158.8	157.4	-66.5	-69.8	0	0	0	115.1
422	Q	35.5	Very low	32.2	Very low	139 Å²	139	152.7 Å²	152.7	65%	0.65	78%	0.784	S	S	*	*			trans	171.2	141.8	131.8	-94.3	166.2	24.8	0	0	108.7
423	Y	36.1	Very low	32	Very low	196 Å²	196	155.5 Å²	155.5	77%	0.769	79%	0.787	S	S	*	*			cis	-154.1	-177.7	14.6	-101.3	-49.3	0	0	0	110.4
424	P	34.5	Very low	32.1	Very low	124 Å²	124	161.1 Å²	161.1	81%	0.805	80%	0.795	S	S	*	*			trans	-121.6	173.1	-149.3	41.4	-25.8	0	0	0	116.5
425	G	32.7	Very low	32	Very low	75 Å²	75	158.7 Å²	158.7	77%	0.773	79%	0.792	S	S	*	*			trans	-173.6	102.3	170.5	0	0	0	0	0	118.4
426	S	32.9	Very low	32.1	Very low	105 Å²	105	156.3 Å²	156.3	73%	0.734	79%	0.792	S	S	*	*			trans	35.3	99.2	148.4	-161.8	0	0	0	0	120
427	I	30	Very low	32	Very low	145 Å²	145	153.4 Å²	153.4	74%	0.744	79%	0.786	S	S	*	*				61.9	111.4	93.2	-58.5	163.5	0	0	0	115.4
428	Y	32	Very low	32	Very low	233 Å²	233	153.5 Å²	153.5	91%	0.914	78%	0.784	S	S	*	*			trans	-141	132.8	147.9	-111	-85.1	0	0	0	109.4
429	T	32.8	Very low	32.3	Very low	127 Å²	127	151 Å²	151	78%	0.779	79%	0.785	S	S	*	*			trans	-110.9	131	175	43.5	0	0	0	0	110.4
430	P	31.2	Very low	32	Very low	124 Å²	124	156.4 Å²	156.4	81%	0.805	79%	0.791	S	S	*	*			trans	-104.1	133.9	173.4	34.9	-28	0	0	0	111.4
431	H	33.1	Very low	32	Very low	181 Å²	181	151.6 Å²	151.6	84%	0.838	79%	0.785	S	S	*	*			trans	-133.1	107.6	170.7	-135.6	-14.1	0	0	0	114.4
432	M	31.7	Very low	32.2	Very low	160 Å²	160	153 Å²	153	79%	0.788	79%	0.786	S	S	*	*			trans	48.3	129.2	142.2	-75.5	-68.5	127	0	0	122.7
433	R	28.1	Very low	32	Very low	233 Å²	233	153.9 Å²	153.9	88%	0.879	79%	0.792	S	S	*	*			trans	-48.7	151.3	161.3	-61.3	167.5	170.3	161.8	-4.6	113.6
434	K	34.8	Very low	31.9	Very low	210 Å²	210	151.9 Å²	151.9	91%	0.913	79%	0.787	S	S	*	*				-157.7	148.3	125.2	-109.2	164.3	-170.8	178.1	0	112.7
435	T	27.9	Very low	31.9	Very low	135 Å²	135	152.4 Å²	152.4	83%	0.828	78%	0.783	S	S	*	*			trans	-83.4	151	179.3	47.1	0	0	0	0	112.6
436	S	30.9	Very low	32.1	Very low	96 Å²	96	154.3 Å²	154.3	67%	0.671	79%	0.785	S	S	*	*				162.8	128.3	120.2	-166.2	0	0	0	0	115.3
437	Q	33.3	Very low	32.1	Very low	143 Å²	143	153.6 Å²	153.6	67%	0.668	79%	0.785	S	S	*	*			trans	55.9	132.2	141.4	-69.5	-178	32.4	0	0	125.3
438	K	30.3	Very low	32.2	Very low	176 Å²	176	155.3 Å²	155.3	77%	0.765	79%	0.79	S	S	*	*			trans	66.4	132.1	145.1	-63.7	162.5	179.8	157.9	0	116.7
439	S	34.8	Very low	32.3	Very low	115 Å²	115	150.7 Å²	150.7	80%	0.804	79%	0.786	S	S	*	*				-162.2	133.8	51.2	-56.2	0	0	0	0	109.9
440	R	28.1	Very low	32.1	Very low	241 Å²	241	154.6 Å²	154.6	91%	0.909	79%	0.786	S	S	*	*				75.1	104.2	86.3	-163.4	174.3	-174.7	167	2.8	117.4
441	A	30.6	Very low	32.1	Very low	79 Å²	79	157.9 Å²	157.9	65%	0.653	78%	0.784	S	S	*	*			trans	71.1	123.9	143.8	0	0	0	0	0	122.9
442	H	34.8	Very low	32.1	Very low	177 Å²	177	157.2 Å²	157.2	82%	0.819	78%	0.783	S	S	*	*				-169.9	124.4	114	-93.6	-74.3	0	0	0	107.2
443	M	32.3	Very low	32.1	Very low	156 Å²	156	154.3 Å²	154.3	77%	0.768	78%	0.777	S	S	*	*				49.9	133.4	91.7	-81.2	-165.7	149.7	0	0	114.3
444	K	33.5	Very low	32.1	Very low	154 Å²	154	151.2 Å²	151.2	67%	0.67	78%	0.777	S	S	*	*			cis	-164.9	173.9	20.7	-131.7	-177.3	-177	-168.5	0	112
445	D	34.4	Very low	32	Very low	136 Å²	136	145 Å²	145	73%	0.727	77%	0.773	S	S	*	*			trans	68.7	141.4	159.7	-54.4	-13	0	0	0	117.7
446	S	36	Very low	32.1	Very low	115 Å²	115	149.4 Å²	149.4	80%	0.804	78%	0.775	S	S	*	*			cis	-152	-180	4.2	-112.8	0	0	0	0	112.5
447	A	32.5	Very low	31.9	Very low	90 Å²	90	156.7 Å²	156.7	74%	0.744	79%	0.787	S	S	*	*			trans	-51.5	165.5	-179.2	0	0	0	0	0	115
448	E	33.1	Very low	32	Very low	180 Å²	180	155.7 Å²	155.7	84%	0.841	79%	0.791	S	S	*	*			cis	-172.1	173.5	47.6	-159.1	163.1	-139	0	0	114.2
449	V	34.1	Very low	32.1	Very low	137 Å²	137	151.9 Å²	151.9	83%	0.83	79%	0.786	S	S	*	*			trans	84	137	168.7	-166	0	0	0	0	118.5
450	R	27.6	Very low	32.5	Very low	209 Å²	209	152 Å²	152	79%	0.789	79%	0.785	S	S	*	*			trans	-115.5	171.5	-169.4	-63.2	174.8	-179.7	148.1	-0.5	112.9
451	Y	32.7	Very low	32.6	Very low	193 Å²	193	148.2 Å²	148.2	76%	0.757	78%	0.782	S	S	*	*			trans	74.5	121	168.7	-57.5	-78.9	0	0	0	114.8
452	M	33.6	Very low	32.7	Very low	167 Å²	167	147.1 Å²	147.1	82%	0.823	78%	0.779	S	S	*	*			cis	-150.1	166.2	47.6	-84.4	-63.9	176.5	0	0	113.4
453	P	30.2	Very low	32.7	Very low	99 Å²	99	144.1 Å²	144.1	64%	0.643	79%	0.785	S	S	*	*			trans	-92.4	168.7	-172.8	37.3	-36.2	0	0	0	115.2
454	N	29.3	Very low	32.6	Very low	167 Å²	167	141.1 Å²	141.1	89%	0.893	78%	0.779	S	S	*	*			trans	60.5	84.8	158.8	-63	-14.3	0	0	0	118.9
455	G	31.4	Very low	32.5	Very low	81 Å²	81	144.5 Å²	144.5	84%	0.835	79%	0.789	S	S	*	*			trans	-116.7	108.8	158.6	0	0	0	0	0	111.3
456	R	31.4	Very low	32.5	Very low	227 Å²	227	146.1 Å²	146.1	86%	0.857	79%	0.794	S	S	*	*			trans	-63.3	147.2	177.5	-76.4	-179.5	175.6	167.4	1.3	110.9	V458	R456-V458 PolarHBondContact O-N 2.99Å
457	R	26.8	Very low	32.3	Very low	248 Å²	248	146.1 Å²	146.1	94%	0.936	80%	0.795	S	S	*	*			trans	-61.4	121	164.9	-65.3	178	-176.4	171.1	1.1	108.6
458	V	35.3	Very low	32.5	Very low	123 Å²	123	147 Å²	147	75%	0.745	80%	0.795	S	S	*	*			trans	-115.7	105.6	168.9	-178.5	0	0	0	0	107.7	R456	R456-V458 PolarHBondContact O-N 2.99Å
459	S	32.2	Very low	32.6	Very low	95 Å²	95	145.3 Å²	145.3	66%	0.664	79%	0.792	S	S	*	*			trans	-74.2	130	157.9	-60.5	0	0	0	0	107.5	D461	S459-D461 PolarHBondContact O-N 2.95Å
460	P	42.8	Very low	32.6	Very low	119 Å²	119	143.6 Å²	143.6	77%	0.773	79%	0.792	S	S	*	*			trans	-81.5	82.1	175.1	-7	25	0	0	0	110.7
461	D	30.1	Very low	33	Very low	160 Å²	160	141.4 Å²	141.4	86%	0.856	80%	0.796	S	S	*	*			trans	-80.9	121	155.6	-70.3	-44.7	0	0	0	107.4	S459	S459-D461 PolarHBondContact O-N 2.95Å
462	G	32.7	Very low	33	Very low	57 Å²	57	137.2 Å²	137.2	59%	0.588	80%	0.795	S	S	*	*			trans	-177.7	37.9	-168	0	0	0	0	0	116.6	S464	G462-S464 VanDerWaalsContact C-N 3.31Å; G462-S464 PolarHBondContact O-N 2.91Å
463	A	34.2	Very low	33	Very low	114 Å²	114	136.1 Å²	136.1	94%	0.942	80%	0.798	S	S	*	*			trans	-80.5	72.5	174.2	0	0	0	0	0	111.4
464	S	29.8	Very low	33.5	Very low	92 Å²	92	136.8 Å²	136.8	64%	0.643	80%	0.8	S	S	*	*			trans	-145.3	41.5	-173.4	55.2	0	0	0	0	116.4	G462	G462-S464 VanDerWaalsContact C-N 3.31Å; G462-S464 PolarHBondContact O-N 2.91Å
465	Y	33.2	Very low	33.8	Very low	225 Å²	225	135.7 Å²	135.7	88%	0.882	80%	0.795	S	S	*	*			trans	-124.7	57	168.9	-66.1	-76.3	0	0	0	113.3
466	M	32.8	Very low	34.2	Very low	170 Å²	170	135.8 Å²	135.8	84%	0.837	80%	0.795	S	S	*	*			trans	-103.6	72.1	168.1	-68.9	-123.1	79.8	0	0	111
467	S	33.7	Very low	35.2	Very low	116 Å²	116	129.6 Å²	129.6	81%	0.811	78%	0.779	S	S	*	*			trans	-175.5	77.4	161.8	-83.5	0	0	0	0	112.8
468	S	35	Very low	36.8	Very low	107 Å²	107	127.2 Å²	127.2	75%	0.748	78%	0.775	S	S	*	*			trans	175.5	95	142.3	56.7	0	0	0	0	110.9
469	N	36.9	Very low	38.3	Very low	145 Å²	145	122.7 Å²	122.7	78%	0.775	75%	0.751	S	S	*	*				-176.8	110.4	128.1	-91.1	-10.1	0	0	0	107.8
470	A	32.6	Very low	40.5	Very low	102 Å²	102	124.4 Å²	124.4	84%	0.843	75%	0.749	S	S	*	*			trans	-83	117.4	174.8	0	0	0	0	0	108.7
471	D	37.5	Very low	42.5	Very low	162 Å²	162	121.2 Å²	121.2	87%	0.866	72%	0.721	S	S	*	*			trans	-119.4	119.5	146.5	-98.3	-38.2	0	0	0	107.7	T473	D471-T473 PolarHBondContact O-N 3.14Å
472	S	31.3	Very low	45.3	Very low	106 Å²	106	117.2 Å²	117.2	74%	0.741	70%	0.702	S	S	*	*			trans	-85.9	107.9	-170.5	49.7	0	0	0	0	111.4
473	T	34.7	Very low	48.1	Very low	143 Å²	143	115 Å²	115	88%	0.877	68%	0.676	S	S	*	*			trans	-178.7	-2.8	143.3	20.4	0	0	0	0	117.1	D471	D471-T473 PolarHBondContact O-N 3.14Å
474	T	39.9	Very low	50.8	Low	113 Å²	113	111 Å²	111	69%	0.693	64%	0.638	S	S	*	*			trans	-97.6	114.4	178.7	44.2	0	0	0	0	113.1
475	N	36.2	Very low	53.8	Low	145 Å²	145	106.6 Å²	106.6	78%	0.775	61%	0.607	S	S	*	*			trans	-54.7	154	170.6	-70.6	-39.4	0	0	0	111.4	L477	N475-L477 VanDerWaalsContact C-N 3.28Å; N475-L477 PolarHBondContact O-N 2.8Å
476	G	38.8	Very low	56.5	Low	82 Å²	82	95.9 Å²	95.9	85%	0.845	57%	0.565	S	S	*	*			trans	-59.9	77.5	-175.6	0	0	0	0	0	115.1
477	L	52.2	Low	59.3	Low	98 Å²	98	87.8 Å²	87.8	51%	0.513	53%	0.525	S	S	.	.			trans	-87.3	116	174.6	-73.8	159	0	0	0	108.6	N475 A479	N475-L477 VanDerWaalsContact C-N 3.28Å; N475-L477 PolarHBondContact O-N 2.8Å; L477-A479 PolarHBondContact O-N 3.31Å
478	F	61.5	Low	61.9	Low	197 Å²	197	82.3 Å²	82.3	86%	0.864	49%	0.486	S	S	*	.			trans	-59.8	134.8	168.5	-70.2	-91.1	0	0	0	109.2
479	A	66.5	Low	64.5	Low	28 Å²	28	77.2 Å²	77.2	23%	0.231	45%	0.451	C	S	.	.			trans	-71.3	131	169.6	0	0	0	0	0	109	L477 R481 F523 N530 Y532	L477-A479 PolarHBondContact O-N 3.31Å; A479-R481 VanDerWaalsContact C-N 3.35Å; A479-F523 HydrophobicContact CB-CE2 4.37Å; A479-N530 CarbonylContact C-O 3.4Å; A479-N530 WeakPolarHBondContact CA-O 3.26Å; A479-Y532 HydrophobicContact CB-CD2 3.25Å; A479-Y532 HydrophobicContact CB-CE2 3.32Å; A479-Y532 HydrophobicContact CB-CG 4.15Å
480	E	77.9	Confident	66.9	Low	132 Å²	132	72.2 Å²	72.2	62%	0.617	42%	0.424	S	S	*	.	S	Bend	trans	-78.5	-26.2	179.4	-62.1	176.5	162.9	0	0	111.4	T529 N530	E480-T529 WeakPolarHBondContact OE2-CB 3.48Å; E480-T529 VanDerWaalsContact OE2-CG2 3.3Å; E480-T529 WeakPolarHBondContact OE2-CG2 3.29Å; E480-N530 PolarHBondContact N-O 3.49Å
481	R	84.2	Confident	69.5	Low	52 Å²	52	70.2 Å²	70.2	20%	0.196	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	152.9	-171.5	-56.6	-168.9	-178.7	-164.6	1.3	112.4	A479 Y483 L531 Y532 E651	A479-R481 VanDerWaalsContact C-N 3.35Å; R481-Y483 VanDerWaalsContact CD-OH 3.26Å; R481-Y483 WeakPolarHBondContact CD-OH 3.29Å; R481-Y483 PolarHBondContact NH1-OH 2.98Å; R481-L531 HydrophobicContact CB-CB 4.28Å; R481-L531 VanDerWaalsContact O-CA 3.27Å; R481-L531 WeakPolarHBondContact O-CA 3.34Å; R481-Y532 PolarHBondContact O-N 2.92Å; R481-E651 VanDerWaalsContact CD-OE2 3.28Å; R481-E651 WeakPolarHBondContact CD-OE2 3.43Å; R481-E651 IonicContact CZ-OE1 2.72Å; R481-E651 IonicContact CZ-OE2 2.77Å; R481-E651 IonicContact NE-OE1 3.2Å; R481-E651 IonicContact NE-OE2 2.7Å; R481-E651 IonicContact NH1-OE1 2.58Å; R481-E651 PolarHBondContact NH1-OE1 2.97Å; R481-E651 IonicContact NH1-OE2 3.67Å; R481-E651 PolarHBondContact NH1-OE2 3.34Å
482	V	89.4	Confident	71.8	Confident	75 Å²	75	65 Å²	65	46%	0.455	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	123.8	177.3	-174.4	0	0	0	0	108.2	Y532 Q534	V482-Y532 WeakPolarHBondContact CA-O 3.26Å; V482-Y532 HydrophobicContact CG2-CD2 4.41Å; V482-Q534 HydrophobicContact CG1-CG 3.83Å
483	Y	92.2	Very high	74.6	Confident	10 Å²	10	60 Å²	60	4%	0.039	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.7	178	-60.3	-56.9	0	0	0	111.6	R481 L531 Y532 L533 Q534 D556 L647 K648 E651	R481-Y483 VanDerWaalsContact CD-OH 3.26Å; R481-Y483 WeakPolarHBondContact CD-OH 3.29Å; R481-Y483 PolarHBondContact NH1-OH 2.98Å; Y483-L531 HydrophobicContact CD2-CD1 4.34Å; Y483-L531 HydrophobicContact CE2-CD2 4.17Å; Y483-Y532 PolarHBondContact N-O 2.92Å; Y483-L533 HydrophobicContact CD2-CD2 4.14Å; Y483-Q534 PolarHBondContact O-N 3.33Å; Y483-D556 WeakPolarHBondContact CA-OD2 3.47Å; Y483-D556 HydrophobicContact CD1-CB 4.26Å; Y483-L647 HydrophobicContact CD1-CB 4.15Å; Y483-L647 HydrophobicContact CD2-CB 3.97Å; Y483-L647 HydrophobicContact CD2-CD1 3.98Å; Y483-L647 HydrophobicContact CE1-CB 4.06Å; Y483-L647 HydrophobicContact CE2-CB 3.86Å; Y483-L647 HydrophobicContact CG-CB 4.12Å; Y483-L647 HydrophobicContact CG-CD1 3.94Å; Y483-L647 HydrophobicContact CG-CG 4.47Å; Y483-K648 WeakPolarHBondContact OH-CA 3.35Å; Y483-E651 VanDerWaalsContact CE1-OE2 3.25Å; Y483-E651 WeakPolarHBondContact CE1-OE2 3.37Å; Y483-E651 VanDerWaalsContact CZ-OE2 3.29Å; Y483-E651 PolarHBondContact OH-OE2 3.28Å
484	K	90.8	Very high	77.3	Confident	31 Å²	31	53.7 Å²	53.7	14%	0.135	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	110.9	175.3	172.5	153.7	168.4	-105.9	0	110.7	W536 Y551 K554 D556 G557	K484-W536 HydrophobicContact CD-CZ2 4.13Å; K484-Y551 PolarHBondContact NZ-O 3.36Å; K484-K554 WeakPolarHBondContact CD-O 3.43Å; K484-K554 PolarHBondContact NZ-O 3.17Å; K484-D556 PolarHBondContact N-OD2 3.19Å; K484-D556 PolarHBondContact O-N 3.37Å; K484-G557 PolarHBondContact O-N 3.01Å; K484-G557 VanDerWaalsContact O-N 3.07Å
485	V	92	Very high	79.7	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.1	-178.2	-179.1	0	0	0	0	110.2	F487 L533 Q534 L535 W536 G557 I559 M643 L647	V485-F487 HydrophobicContact CG1-CE2 4.28Å; V485-L533 HydrophobicContact CG2-CD2 4.34Å; V485-Q534 PolarHBondContact N-O 3.37Å; V485-L535 HydrophobicContact CB-CD2 4.2Å; V485-W536 PolarHBondContact O-N 3.08Å; V485-G557 VanDerWaalsContact CA-O 3.31Å; V485-G557 WeakPolarHBondContact CA-O 3.34Å; V485-I559 HydrophobicContact CG1-CD1 3.57Å; V485-I559 HydrophobicContact CG1-CG1 3.7Å; V485-M643 HydrophobicContact CG1-CE 4.01Å; V485-M643 HydrophobicContact CG1-SD 3.71Å; V485-M643 HydrophobicContact CG2-SD 4.09Å; V485-L647 HydrophobicContact CG2-CD1 4.26Å
486	I	90.4	Very high	82.3	Confident	0 Å²	0	43 Å²	43	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.7	-178.8	-53.4	-175.7	0	0	0	110.9	V488 W536 T538 Y551 Y552 G557 V558 I559	I486-V488 HydrophobicContact CG2-CG1 3.93Å; I486-W536 HydrophobicContact CB-CB 4.5Å; I486-W536 HydrophobicContact CG1-CB 4.15Å; I486-W536 HydrophobicContact CG1-CG 4.44Å; I486-W536 HydrophobicContact CG2-CB 4.44Å; I486-T538 HydrophobicContact CG2-CG2 3.71Å; I486-Y551 VanDerWaalsContact CD1-C 3.42Å; I486-Y551 WeakPolarHBondContact CD1-O 3.16Å; I486-Y552 HydrophobicContact CD1-CD1 4.24Å; I486-G557 PolarHBondContact N-O 2.96Å; I486-V558 CarbonylContact O-C 3.55Å; I486-V558 WeakPolarHBondContact O-CA 3.32Å; I486-I559 PolarHBondContact O-N 3.49Å
487	F	91.4	Very high	84.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.5	174.6	-82.2	-103.5	0	0	0	111.1	V485 K495 I498 I499 L535 W536 T538 I559 V561 L593 F640	V485-F487 HydrophobicContact CG1-CE2 4.28Å; F487-K495 HydrophobicContact CB-CB 4.29Å; F487-K495 HydrophobicContact CB-CD 4.24Å; F487-K495 HydrophobicContact CD1-CB 4.29Å; F487-I498 HydrophobicContact CE1-CG2 4.12Å; F487-I499 HydrophobicContact CB-CD1 4.14Å; F487-I499 HydrophobicContact CD1-CD1 4.14Å; F487-I499 HydrophobicContact CD1-CG1 4.16Å; F487-I499 HydrophobicContact CD2-CD1 3.59Å; F487-I499 HydrophobicContact CD2-CG1 3.85Å; F487-I499 HydrophobicContact CE1-CG1 4.05Å; F487-I499 HydrophobicContact CE2-CD1 4.02Å; F487-I499 HydrophobicContact CE2-CG1 3.74Å; F487-I499 HydrophobicContact CG-CD1 3.67Å; F487-I499 HydrophobicContact CG-CG1 4.08Å; F487-I499 HydrophobicContact CZ-CD1 4.47Å; F487-I499 HydrophobicContact CZ-CG1 3.85Å; F487-L535 HydrophobicContact CE2-CB 4.5Å; F487-L535 HydrophobicContact CE2-CD2 4.29Å; F487-W536 PolarHBondContact N-O 2.68Å; F487-T538 WeakPolarHBondContact O-CB 3.19Å; F487-T538 VanDerWaalsContact O-CG2 3.31Å; F487-T538 WeakPolarHBondContact O-CG2 3.31Å; F487-T538 PolarHBondContact O-OG1 2.99Å; F487-I559 CarbonylContact C-O 3.51Å; F487-I559 WeakPolarHBondContact CA-O 3.46Å; F487-I559 HydrophobicContact CD1-CB 4.17Å; F487-I559 HydrophobicContact CD1-CG2 3.94Å; F487-I559 HydrophobicContact CE1-CB 4.06Å; F487-I559 HydrophobicContact CE1-CD1 4.02Å; F487-I559 HydrophobicContact CE1-CG2 3.64Å; F487-I559 HydrophobicContact CE2-CB 4.41Å; F487-I559 HydrophobicContact CE2-CD1 3.69Å; F487-I559 HydrophobicContact CE2-CG1 4.48Å; F487-I559 HydrophobicContact CG-CB 4.39Å; F487-I559 HydrophobicContact CZ-CB 4.16Å; F487-I559 HydrophobicContact CZ-CD1 3.35Å; F487-I559 HydrophobicContact CZ-CG1 4.29Å; F487-I559 HydrophobicContact CZ-CG2 4.11Å; F487-V561 HydrophobicContact CD1-CG2 3.85Å; F487-V561 HydrophobicContact CE1-CG2 4.24Å; F487-L593 HydrophobicContact CE1-CD1 4.42Å; F487-F640 HydrophobicContact CE2-CE1 4.15Å; F487-F640 HydrophobicContact CE2-CZ 4.08Å; F487-F640 AromaticContact CZ-CE1 3.87Å; F487-F640 HydrophobicContact CZ-CE1 3.87Å; F487-F640 HydrophobicContact CZ-CE2 4.48Å; F487-F640 AromaticContact CZ-CZ 3.49Å; F487-F640 HydrophobicContact CZ-CZ 3.49Å; F487-F640 VanDerWaalsContact CZ-CZ 3.49Å
488	V	89.3	Confident	86.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	162.7	179.2	-55.4	0	0	0	0	111.4	I486 T548 Y552 V558 I559 I560 V561 W576 V580	I486-V488 HydrophobicContact CG2-CG1 3.93Å; V488-T548 HydrophobicContact CG1-CG2 3.99Å; V488-Y552 HydrophobicContact CG1-CE1 3.85Å; V488-V558 HydrophobicContact CG1-CG1 4.41Å; V488-V558 HydrophobicContact CG2-CG1 3.77Å; V488-I559 PolarHBondContact N-O 2.88Å; V488-I560 HydrophobicContact CG2-CB 4.22Å; V488-I560 HydrophobicContact CG2-CG1 3.73Å; V488-I560 HydrophobicContact CG2-CG2 4.32Å; V488-I560 WeakPolarHBondContact O-CA 3.46Å; V488-V561 PolarHBondContact O-N 2.64Å; V488-W576 HydrophobicContact CB-CE3 4.15Å; V488-W576 HydrophobicContact CB-CZ3 4.37Å; V488-W576 HydrophobicContact CG2-CE3 4.47Å; V488-V580 HydrophobicContact CG2-CG2 4.5Å
489	G	88.8	Confident	88.3	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.01	16%	0.16	C	C	.	.			trans	131.8	167.2	-170.3	0	0	0	0	0	111.4	K495 G540	G489-K495 PolarHBondContact O-NZ 2.91Å; G489-G540 VanDerWaalsContact O-CA 3.32Å; G489-G540 WeakPolarHBondContact O-CA 3.42Å
490	D	87.8	Confident	89.4	Confident	39 Å²	39	28.8 Å²	28.8	21%	0.209	16%	0.163	C	C	.	.			trans	-69.5	173.7	-171	-71.6	2.5	0	0	0	113.3	V493 K495 G540 R545 A572 W576	D490-V493 HydrophobicContact CB-CG1 4.21Å; D490-V493 WeakPolarHBondContact O-CG2 3.43Å; D490-K495 PolarHBondContact O-NZ 3.09Å; D490-G540 CarbonylContact C-O 3.59Å; D490-R545 IonicContact OD1-NH2 3.47Å; D490-A572 WeakPolarHBondContact OD2-CB 3.31Å; D490-W576 PolarHBondContact OD1-NE1 2.97Å
491	S	86.6	Confident	90.1	Very high	61 Å²	61	24.5 Å²	24.5	43%	0.427	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	144.2	177.4	-164.3	0	0	0	0	111	V493 G540	S491-V493 VanDerWaalsContact C-N 3.26Å; S491-V493 PolarHBondContact O-N 3.01Å; S491-G540 PolarHBondContact N-O 3.34Å
492	G	85.9	Confident	90.5	Very high	51 Å²	51	22.2 Å²	22.2	53%	0.526	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	-3.7	176.5	0	0	0	0	0	116.9	G494 K596	G492-G494 PolarHBondContact O-N 2.93Å; G492-K596 PolarHBondContact O-NZ 3.07Å
493	V	90.9	Very high	90.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	12%	0.124	C	C	.	.	S	Bend	trans	-68.8	-17.7	175.8	-53.7	0	0	0	0	113.4	D490 S491 K495 V561 D563 N595	D490-V493 HydrophobicContact CB-CG1 4.21Å; D490-V493 WeakPolarHBondContact O-CG2 3.43Å; S491-V493 VanDerWaalsContact C-N 3.26Å; S491-V493 PolarHBondContact O-N 3.01Å; V493-K495 HydrophobicContact CG2-CD 4.4Å; V493-K495 HydrophobicContact CG2-CG 3.71Å; V493-V561 HydrophobicContact CB-CG1 4.3Å; V493-V561 HydrophobicContact CG2-CB 3.93Å; V493-V561 HydrophobicContact CG2-CG1 3.83Å; V493-D563 HydrophobicContact CB-CB 4.36Å; V493-D563 HydrophobicContact CG1-CB 4.3Å; V493-N595 PolarHBondContact O-ND2 3.24Å
494	G	90.3	Very high	90.2	Very high	12 Å²	12	22.4 Å²	22.4	12%	0.124	14%	0.139	C	C	.	.			trans	99.2	21.9	172.8	0	0	0	0	0	116.8	G492 S496 S497 I498	G492-G494 PolarHBondContact O-N 2.93Å; G494-S496 PolarHBondContact O-N 2.79Å; G494-S497 WeakPolarHBondContact O-CA 3.39Å; G494-S497 WeakPolarHBondContact O-CB 3.46Å; G494-S497 PolarHBondContact O-N 3.16Å; G494-I498 WeakPolarHBondContact O-CG1 3.24Å; G494-I498 PolarHBondContact O-N 3.45Å
495	K	90.9	Very high	90	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.035	15%	0.154	C	C	.	.	H	α-helix	trans	-47.2	-57.6	176.7	-58.8	-171.7	-59.8	-78	0	112.9	F487 G489 D490 V493 S497 I498 I499 D537 T538 G540 V561	F487-K495 HydrophobicContact CB-CB 4.29Å; F487-K495 HydrophobicContact CB-CD 4.24Å; F487-K495 HydrophobicContact CD1-CB 4.29Å; G489-K495 PolarHBondContact O-NZ 2.91Å; D490-K495 PolarHBondContact O-NZ 3.09Å; V493-K495 HydrophobicContact CG2-CD 4.4Å; V493-K495 HydrophobicContact CG2-CG 3.71Å; K495-S497 VanDerWaalsContact C-N 3.26Å; K495-S497 PolarHBondContact O-N 3.01Å; K495-I498 WeakPolarHBondContact O-CB 3.34Å; K495-I498 PolarHBondContact O-N 2.65Å; K495-I498 VanDerWaalsContact O-N 3.1Å; K495-I499 WeakPolarHBondContact O-CG1 3.37Å; K495-I499 PolarHBondContact O-N 2.87Å; K495-D537 VanDerWaalsContact CB-OD1 3.3Å; K495-D537 WeakPolarHBondContact CB-OD1 3.4Å; K495-T538 WeakPolarHBondContact CE-O 3.09Å; K495-T538 PolarHBondContact NZ-O 3.04Å; K495-G540 VanDerWaalsContact NZ-CA 3.31Å; K495-V561 HydrophobicContact CG-CB 3.9Å; K495-V561 HydrophobicContact CG-CG1 4.49Å; K495-V561 HydrophobicContact CG-CG2 3.92Å
496	S	90.4	Very high	89.8	Confident	26 Å²	26	26.6 Å²	26.6	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-58.6	-35.5	178	-31.4	0	0	0	0	112.7	G494 R500 L511 T514 D537	G494-S496 PolarHBondContact O-N 2.79Å; S496-R500 WeakPolarHBondContact O-CB 3.5Å; S496-R500 PolarHBondContact O-N 3.26Å; S496-L511 VanDerWaalsContact CB-CD2 3.44Å; S496-T514 PolarHBondContact OG-OG1 3.45Å; S496-D537 WeakPolarHBondContact CB-OD2 3.13Å; S496-D537 PolarHBondContact OG-OD2 3.48Å
497	S	91.9	Very high	89.5	Confident	22 Å²	22	29.6 Å²	29.6	15%	0.154	19%	0.188	C	C	.	.	H	α-helix	trans	-70.4	-38.8	176.3	-48.6	0	0	0	0	112.2	G494 K495 K501	G494-S497 WeakPolarHBondContact O-CA 3.39Å; G494-S497 WeakPolarHBondContact O-CB 3.46Å; G494-S497 PolarHBondContact O-N 3.16Å; K495-S497 VanDerWaalsContact C-N 3.26Å; K495-S497 PolarHBondContact O-N 3.01Å; S497-K501 WeakPolarHBondContact O-CB 3.39Å; S497-K501 PolarHBondContact O-N 2.83Å
498	I	93.8	Very high	89.1	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-47.6	173.5	-64.8	168.1	0	0	0	109.9	F487 G494 K495 K501 F502 V561 L593 N595 V628 A630 I636 F640	F487-I498 HydrophobicContact CE1-CG2 4.12Å; G494-I498 WeakPolarHBondContact O-CG1 3.24Å; G494-I498 PolarHBondContact O-N 3.45Å; K495-I498 WeakPolarHBondContact O-CB 3.34Å; K495-I498 PolarHBondContact O-N 2.65Å; K495-I498 VanDerWaalsContact O-N 3.1Å; I498-K501 PolarHBondContact O-N 3.01Å; I498-F502 WeakPolarHBondContact O-CB 3.22Å; I498-F502 PolarHBondContact O-N 3.1Å; I498-V561 HydrophobicContact CD1-CG1 3.7Å; I498-V561 HydrophobicContact CD1-CG2 4.12Å; I498-L593 HydrophobicContact CD1-CD1 4.09Å; I498-L593 HydrophobicContact CG2-CD1 4.32Å; I498-N595 HydrophobicContact CD1-CB 4.08Å; I498-V628 HydrophobicContact CD1-CG2 4.13Å; I498-A630 HydrophobicContact CG1-CB 3.96Å; I498-I636 HydrophobicContact CG2-CD1 4.28Å; I498-I636 HydrophobicContact CG2-CG2 4.16Å; I498-F640 HydrophobicContact CG2-CE2 4.26Å
499	I	92.5	Very high	88.4	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-50	178.6	-65.3	165.6	0	0	0	110.2	F487 K495 K501 F502 V503 H520 L535 D537	F487-I499 HydrophobicContact CB-CD1 4.14Å; F487-I499 HydrophobicContact CD1-CD1 4.14Å; F487-I499 HydrophobicContact CD1-CG1 4.16Å; F487-I499 HydrophobicContact CD2-CD1 3.59Å; F487-I499 HydrophobicContact CD2-CG1 3.85Å; F487-I499 HydrophobicContact CE1-CG1 4.05Å; F487-I499 HydrophobicContact CE2-CD1 4.02Å; F487-I499 HydrophobicContact CE2-CG1 3.74Å; F487-I499 HydrophobicContact CG-CD1 3.67Å; F487-I499 HydrophobicContact CG-CG1 4.08Å; F487-I499 HydrophobicContact CZ-CD1 4.47Å; F487-I499 HydrophobicContact CZ-CG1 3.85Å; K495-I499 WeakPolarHBondContact O-CG1 3.37Å; K495-I499 PolarHBondContact O-N 2.87Å; I499-K501 VanDerWaalsContact C-N 3.32Å; I499-K501 PolarHBondContact O-N 2.89Å; I499-F502 PolarHBondContact O-N 3.35Å; I499-V503 HydrophobicContact CG2-CG2 4.12Å; I499-V503 WeakPolarHBondContact O-CB 3.43Å; I499-V503 WeakPolarHBondContact O-CG2 3.47Å; I499-V503 PolarHBondContact O-N 2.89Å; I499-H520 HydrophobicContact CG2-CB 3.82Å; I499-L535 HydrophobicContact CG2-CB 4.29Å; I499-L535 HydrophobicContact CG2-CD1 4.09Å; I499-D537 HydrophobicContact CD1-CB 3.46Å; I499-D537 VanDerWaalsContact CD1-CB 3.46Å
500	R	90.3	Very high	87.8	Confident	82 Å²	82	47.2 Å²	47.2	31%	0.309	28%	0.282	S	S	.	.	H	α-helix	trans	-59.5	-42.5	177.2	-173	172.5	-63.1	-164.9	-0.8	111.8	S496 V503 S504 D508	S496-R500 WeakPolarHBondContact O-CB 3.5Å; S496-R500 PolarHBondContact O-N 3.26Å; R500-V503 PolarHBondContact O-N 3.05Å; R500-S504 WeakPolarHBondContact CG-OG 3.45Å; R500-S504 WeakPolarHBondContact O-CB 3.33Å; R500-S504 PolarHBondContact O-N 2.82Å; R500-S504 PolarHBondContact O-OG 3.05Å; R500-D508 VanDerWaalsContact CD-OD2 3.23Å; R500-D508 WeakPolarHBondContact CD-OD2 3.46Å; R500-D508 IonicContact CZ-OD2 2.78Å; R500-D508 IonicContact NE-OD2 2.91Å; R500-D508 IonicContact NH1-OD2 3.54Å; R500-D508 PolarHBondContact NH1-OD2 3.23Å
501	K	92.4	Very high	87.1	Confident	42 Å²	42	47.3 Å²	47.3	18%	0.183	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-42.7	178.6	-174.5	62.1	174.6	-179.6	0	112.2	S497 I498 I499 G505 V506 F507 A630 G633 I636	S497-K501 WeakPolarHBondContact O-CB 3.39Å; S497-K501 PolarHBondContact O-N 2.83Å; I498-K501 PolarHBondContact O-N 3.01Å; I499-K501 VanDerWaalsContact C-N 3.32Å; I499-K501 PolarHBondContact O-N 2.89Å; K501-G505 WeakPolarHBondContact CD-O 3.46Å; K501-G505 WeakPolarHBondContact CE-O 3.26Å; K501-G505 PolarHBondContact NZ-O 3.35Å; K501-G505 WeakPolarHBondContact O-CA 3.48Å; K501-G505 PolarHBondContact O-N 2.95Å; K501-V506 WeakPolarHBondContact CA-O 3.41Å; K501-F507 HydrophobicContact CD-CB 4.35Å; K501-A630 WeakPolarHBondContact CD-O 3.48Å; K501-A630 VanDerWaalsContact CG-O 3.29Å; K501-A630 WeakPolarHBondContact CG-O 3.2Å; K501-G633 VanDerWaalsContact CE-CA 3.42Å; K501-I636 HydrophobicContact CB-CD1 4.08Å; K501-I636 HydrophobicContact CG-CD1 3.78Å
502	F	92.6	Very high	86.4	Confident	5 Å²	5	49.3 Å²	49.3	2%	0.022	29%	0.293	C	S	.	.	H	α-helix	trans	-70.6	-42.3	177.2	-179.9	-125.6	0	0	0	112.9	I498 I499 K522 M524 L533 L535 I636 E637 F640	I498-F502 WeakPolarHBondContact O-CB 3.22Å; I498-F502 PolarHBondContact O-N 3.1Å; I499-F502 PolarHBondContact O-N 3.35Å; F502-K522 HydrophobicContact CD1-CB 4.22Å; F502-K522 HydrophobicContact CD1-CG 4.06Å; F502-K522 HydrophobicContact CE1-CB 3.76Å; F502-K522 HydrophobicContact CE1-CG 3.55Å; F502-K522 HydrophobicContact CE2-CG 4.38Å; F502-K522 HydrophobicContact CZ-CB 4.39Å; F502-K522 HydrophobicContact CZ-CG 3.73Å; F502-K522 WeakPolarHBondContact O-CE 3.49Å; F502-K522 PolarHBondContact O-NZ 3.13Å; F502-M524 HydrophobicContact CE2-SD 4.32Å; F502-M524 HydrophobicContact CZ-SD 3.87Å; F502-L533 HydrophobicContact CE1-CD1 4.05Å; F502-L533 HydrophobicContact CZ-CD1 4.18Å; F502-L535 HydrophobicContact CD1-CD1 3.75Å; F502-L535 HydrophobicContact CE1-CD1 4.11Å; F502-I636 HydrophobicContact CB-CG2 3.81Å; F502-I636 HydrophobicContact CD2-CG2 4.22Å; F502-I636 HydrophobicContact CG-CG2 4.3Å; F502-E637 WeakPolarHBondContact CD2-OE2 3.46Å; F502-E637 WeakPolarHBondContact CE2-OE2 3.33Å; F502-F640 HydrophobicContact CB-CD2 4.14Å; F502-F640 HydrophobicContact CB-CE2 3.57Å; F502-F640 HydrophobicContact CB-CZ 4.24Å; F502-F640 HydrophobicContact CD1-CD1 4.15Å; F502-F640 AromaticContact CD1-CD2 3.58Å; F502-F640 HydrophobicContact CD1-CD2 3.58Å; F502-F640 AromaticContact CD1-CE1 3.88Å; F502-F640 HydrophobicContact CD1-CE1 3.88Å; F502-F640 AromaticContact CD1-CE2 3.29Å; F502-F640 HydrophobicContact CD1-CE2 3.29Å; F502-F640 AromaticContact CD1-CG 3.99Å; F502-F640 HydrophobicContact CD1-CG 3.99Å; F502-F640 AromaticContact CD1-CZ 3.4Å; F502-F640 HydrophobicContact CD1-CZ 3.4Å; F502-F640 VanDerWaalsContact CD1-CZ 3.4Å; F502-F640 AromaticContact CD2-CD2 3.51Å; F502-F640 HydrophobicContact CD2-CD2 3.51Å; F502-F640 AromaticContact CD2-CE2 3.85Å; F502-F640 HydrophobicContact CD2-CE2 3.85Å; F502-F640 HydrophobicContact CD2-CG 4.19Å; F502-F640 HydrophobicContact CE1-CB 4.21Å; F502-F640 AromaticContact CE1-CD1 3.71Å; F502-F640 HydrophobicContact CE1-CD1 3.71Å; F502-F640 AromaticContact CE1-CD2 3.71Å; F502-F640 HydrophobicContact CE1-CD2 3.71Å; F502-F640 AromaticContact CE1-CE1 3.81Å; F502-F640 HydrophobicContact CE1-CE1 3.81Å; F502-F640 AromaticContact CE1-CE2 3.84Å; F502-F640 HydrophobicContact CE1-CE2 3.84Å; F502-F640 AromaticContact CE1-CG 3.63Å; F502-F640 HydrophobicContact CE1-CG 3.63Å; F502-F640 AromaticContact CE1-CZ 3.84Å; F502-F640 HydrophobicContact CE1-CZ 3.84Å; F502-F640 HydrophobicContact CE2-CB 3.85Å; F502-F640 AromaticContact CE2-CD2 3.67Å; F502-F640 HydrophobicContact CE2-CD2 3.67Å; F502-F640 HydrophobicContact CE2-CE2 4.34Å; F502-F640 AromaticContact CE2-CG 3.87Å; F502-F640 HydrophobicContact CE2-CG 3.87Å; F502-F640 AromaticContact CG-CD2 3.47Å; F502-F640 HydrophobicContact CG-CD2 3.47Å; F502-F640 VanDerWaalsContact CG-CD2 3.47Å; F502-F640 AromaticContact CG-CE2 3.29Å; F502-F640 HydrophobicContact CG-CE2 3.29Å; F502-F640 HydrophobicContact CG-CG 4.25Å; F502-F640 AromaticContact CG-CZ 3.91Å; F502-F640 HydrophobicContact CG-CZ 3.91Å; F502-F640 HydrophobicContact CZ-CB 3.65Å; F502-F640 HydrophobicContact CZ-CD1 4.04Å; F502-F640 AromaticContact CZ-CD2 3.76Å; F502-F640 HydrophobicContact CZ-CD2 3.76Å; F502-F640 HydrophobicContact CZ-CE2 4.34Å; F502-F640 AromaticContact CZ-CG 3.57Å; F502-F640 HydrophobicContact CZ-CG 3.57Å
503	V	90.3	Very high	86	Confident	41 Å²	41	52.6 Å²	52.6	25%	0.248	30%	0.298	C	S	.	.	H	α-helix	trans	-71.3	-50.9	-177.9	174.8	0	0	0	0	111.1	I499 R500 H520 K522 L535	I499-V503 HydrophobicContact CG2-CG2 4.12Å; I499-V503 WeakPolarHBondContact O-CB 3.43Å; I499-V503 WeakPolarHBondContact O-CG2 3.47Å; I499-V503 PolarHBondContact O-N 2.89Å; R500-V503 PolarHBondContact O-N 3.05Å; V503-H520 HydrophobicContact CG2-CB 3.93Å; V503-K522 HydrophobicContact CG2-CB 4.42Å; V503-K522 PolarHBondContact O-NZ 3.23Å; V503-K522 VanDerWaalsContact O-NZ 3.07Å; V503-L535 HydrophobicContact CG2-CD1 3.88Å
504	S	85.3	Confident	84.9	Confident	48 Å²	48	54 Å²	54	34%	0.336	31%	0.307	S	S	.	.	H	α-helix	trans	-110	-9.9	-167.8	72.3	0	0	0	0	115.8	R500 V506	R500-S504 WeakPolarHBondContact CG-OG 3.45Å; R500-S504 WeakPolarHBondContact O-CB 3.33Å; R500-S504 PolarHBondContact O-N 2.82Å; R500-S504 PolarHBondContact O-OG 3.05Å; S504-V506 PolarHBondContact O-N 3.23Å; S504-V506 VanDerWaalsContact O-N 3.17Å; S504-V506 PolarHBondContact OG-N 3.46Å
505	G	86.9	Confident	83.9	Confident	45 Å²	45	59.2 Å²	59.2	46%	0.464	34%	0.336	S	S	.	.	S	Bend	trans	75.5	-12.7	-172.4	0	0	0	0	0	115	K501	K501-G505 WeakPolarHBondContact CD-O 3.46Å; K501-G505 WeakPolarHBondContact CE-O 3.26Å; K501-G505 PolarHBondContact NZ-O 3.35Å; K501-G505 WeakPolarHBondContact O-CA 3.48Å; K501-G505 PolarHBondContact O-N 2.95Å
506	V	86.5	Confident	83	Confident	73 Å²	73	60.8 Å²	60.8	44%	0.442	35%	0.351	S	S	.	.			trans	-92	144.8	-175.8	-174.9	0	0	0	0	111.5	K501 S504	K501-V506 WeakPolarHBondContact CA-O 3.41Å; S504-V506 PolarHBondContact O-N 3.23Å; S504-V506 VanDerWaalsContact O-N 3.17Å; S504-V506 PolarHBondContact OG-N 3.46Å
507	F	85	Confident	82.4	Confident	63 Å²	63	61.4 Å²	61.4	28%	0.276	35%	0.352	S	S	.	.			trans	-119.2	121.4	168.7	173.9	-100	0	0	0	109.6	K501 L509 A630 K631	K501-F507 HydrophobicContact CD-CB 4.35Å; F507-L509 HydrophobicContact CE1-CD2 3.82Å; F507-L509 HydrophobicContact CE1-CG 3.87Å; F507-L509 HydrophobicContact CZ-CD2 4.23Å; F507-A630 VanDerWaalsContact CD2-C 3.49Å; F507-A630 HydrophobicContact CD2-CB 4.06Å; F507-A630 WeakPolarHBondContact CD2-O 3.36Å; F507-A630 HydrophobicContact CE2-CB 3.99Å; F507-K631 HydrophobicContact CD1-CB 4.1Å; F507-K631 HydrophobicContact CD1-CG 3.96Å; F507-K631 HydrophobicContact CD2-CB 4.37Å; F507-K631 HydrophobicContact CE1-CB 3.97Å; F507-K631 HydrophobicContact CE1-CG 3.85Å; F507-K631 HydrophobicContact CE2-CB 4.24Å; F507-K631 HydrophobicContact CG-CB 4.3Å; F507-K631 HydrophobicContact CZ-CB 4.04Å; F507-K631 HydrophobicContact CZ-CG 4.39Å
508	D	82	Confident	82	Confident	63 Å²	63	63.8 Å²	63.8	34%	0.337	36%	0.363	S	S	.	.			trans	-111.3	130.9	177.7	-62.1	-50.3	0	0	0	110.1	R500 N510 L511	R500-D508 VanDerWaalsContact CD-OD2 3.23Å; R500-D508 WeakPolarHBondContact CD-OD2 3.46Å; R500-D508 IonicContact CZ-OD2 2.78Å; R500-D508 IonicContact NE-OD2 2.91Å; R500-D508 IonicContact NH1-OD2 3.54Å; R500-D508 PolarHBondContact NH1-OD2 3.23Å; D508-N510 VanDerWaalsContact C-N 3.34Å; D508-L511 HydrophobicContact CB-CD1 3.58Å; D508-L511 WeakPolarHBondContact O-CD1 3.35Å
509	L	74.4	Confident	81.6	Confident	152 Å²	152	68.1 Å²	68.1	80%	0.796	38%	0.382	S	S	*	.	S	Bend	trans	-73	-28.4	175.5	-75.1	155.3	0	0	0	112.5	F507 L511	F507-L509 HydrophobicContact CE1-CD2 3.82Å; F507-L509 HydrophobicContact CE1-CG 3.87Å; F507-L509 HydrophobicContact CZ-CD2 4.23Å; L509-L511 PolarHBondContact O-N 2.92Å
510	N	76.3	Confident	81.4	Confident	156 Å²	156	70.5 Å²	70.5	83%	0.834	39%	0.393	S	S	*	.			trans	-101.8	48.4	-173.7	-64.3	-21.3	0	0	0	111.9	D508	D508-N510 VanDerWaalsContact C-N 3.34Å
511	L	73	Confident	81.5	Confident	41 Å²	41	69.8 Å²	69.8	22%	0.215	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-68.4	132.6	169.4	-105.5	72.6	0	0	0	110.2	S496 D508 L509	S496-L511 VanDerWaalsContact CB-CD2 3.44Å; D508-L511 HydrophobicContact CB-CD1 3.58Å; D508-L511 WeakPolarHBondContact O-CD1 3.35Å; L509-L511 PolarHBondContact O-N 2.92Å
512	P	73.6	Confident	81.4	Confident	103 Å²	103	70.3 Å²	70.3	67%	0.669	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-62.5	150.2	163.2	29.5	-33.9	0	0	0	109.6	T514	P512-T514 PolarHBondContact O-N 3.46Å
513	L	77.1	Confident	81.3	Confident	120 Å²	120	73.4 Å²	73.4	63%	0.628	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-63.7	127.2	174.1	-67.8	171.1	0	0	0	109.8	V515	L513-V515 PolarHBondContact O-N 3.3Å; L513-V515 VanDerWaalsContact O-N 3.12Å
514	T	67	Low	81.2	Confident	30 Å²	30	71.9 Å²	71.9	18%	0.184	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-57.1	116.9	174.3	-51	0	0	0	0	110.1	S496 P512 D518 D537 A539	S496-T514 PolarHBondContact OG-OG1 3.45Å; P512-T514 PolarHBondContact O-N 3.46Å; T514-D518 HydrophobicContact CG2-CB 4.1Å; T514-D537 WeakPolarHBondContact CG2-OD2 3.5Å; T514-D537 PolarHBondContact OG1-OD2 2.89Å; T514-A539 WeakPolarHBondContact O-CB 3.49Å
515	V	69	Low	81.3	Confident	122 Å²	122	74.4 Å²	74.4	74%	0.739	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-94.5	125	173.6	-178.4	0	0	0	0	107.9	L513 I517	L513-V515 PolarHBondContact O-N 3.3Å; L513-V515 VanDerWaalsContact O-N 3.12Å; V515-I517 PolarHBondContact O-N 2.62Å
516	A	71.9	Confident	81.4	Confident	42 Å²	42	72.2 Å²	72.2	35%	0.347	39%	0.388	S	S	.	.	S	Bend	trans	58.2	-98.6	-169.9	0	0	0	0	0	113.7	A539	A516-A539 VanDerWaalsContact O-CB 3.22Å; A516-A539 WeakPolarHBondContact O-CB 3.47Å; A516-A539 PolarHBondContact O-N 2.66Å
517	I	77.8	Confident	81.3	Confident	39 Å²	39	72.7 Å²	72.7	20%	0.2	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	138.2	-171.8	-63.5	-176.1	0	0	0	109.2	V515 W536 D537 T538 I547 Y551	V515-I517 PolarHBondContact O-N 2.62Å; I517-W536 HydrophobicContact CG2-CE3 3.93Å; I517-D537 CarbonylContact C-O 3.45Å; I517-D537 WeakPolarHBondContact CA-O 3.5Å; I517-D537 VanDerWaalsContact CG2-O 3.29Å; I517-D537 WeakPolarHBondContact CG2-O 3.35Å; I517-T538 HydrophobicContact CD1-CG2 4.32Å; I517-T538 HydrophobicContact CG1-CG2 4.25Å; I517-I547 HydrophobicContact CD1-CG2 4.34Å; I517-Y551 HydrophobicContact CD1-CD1 4.04Å; I517-Y551 HydrophobicContact CD1-CD2 3.39Å; I517-Y551 HydrophobicContact CD1-CE1 4Å; I517-Y551 HydrophobicContact CD1-CE2 3.36Å; I517-Y551 HydrophobicContact CD1-CG 3.76Å
518	D	83.8	Confident	81.2	Confident	72 Å²	72	72.2 Å²	72.2	39%	0.385	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	155	173.6	-172.1	19.8	0	0	0	110.4	T514 H520 D537	T514-D518 HydrophobicContact CG2-CB 4.1Å; D518-H520 IonicContact OD1-NE2 2.7Å; D518-H520 IonicContact OD2-CD2 3.49Å; D518-H520 IonicContact OD2-CE1 3.28Å; D518-H520 IonicContact OD2-NE2 3.48Å; D518-H520 PolarHBondContact OD2-NE2 3.46Å; D518-D537 HydrophobicContact CB-CB 4.16Å; D518-D537 PolarHBondContact N-O 3.06Å; D518-D537 PolarHBondContact O-N 2.92Å
519	F	86	Confident	81.3	Confident	90 Å²	90	70.2 Å²	70.2	40%	0.395	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	122.5	-168.7	175.8	-96.7	0	0	0	112	V521 Q534 W536	F519-V521 HydrophobicContact CD1-CG2 4.44Å; F519-V521 HydrophobicContact CE1-CG2 3.49Å; F519-V521 VanDerWaalsContact CE1-CG2 3.49Å; F519-V521 HydrophobicContact CE2-CG2 4.46Å; F519-V521 HydrophobicContact CZ-CG2 3.5Å; F519-Q534 HydrophobicContact CE2-CB 3.9Å; F519-Q534 HydrophobicContact CE2-CG 4.07Å; F519-Q534 HydrophobicContact CZ-CB 4.33Å; F519-Q534 HydrophobicContact CZ-CG 4.04Å; F519-W536 AromaticContact CD2-CD2 3.92Å; F519-W536 HydrophobicContact CD2-CD2 3.92Å; F519-W536 AromaticContact CD2-CE2 3.63Å; F519-W536 HydrophobicContact CD2-CE3 4.3Å; F519-W536 HydrophobicContact CD2-CG 4.4Å; F519-W536 HydrophobicContact CD2-CH2 4.2Å; F519-W536 AromaticContact CD2-CZ2 3.81Å; F519-W536 HydrophobicContact CD2-CZ2 3.81Å; F519-W536 HydrophobicContact CD2-CZ3 4.42Å; F519-W536 AromaticContact CD2-NE1 3.93Å; F519-W536 HydrophobicContact CE2-CD2 4.45Å; F519-W536 AromaticContact CE2-CE2 3.71Å; F519-W536 HydrophobicContact CE2-CH2 4.45Å; F519-W536 AromaticContact CE2-CZ2 3.73Å; F519-W536 HydrophobicContact CE2-CZ2 3.73Å; F519-W536 AromaticContact CE2-NE1 3.76Å
520	H	89	Confident	82	Confident	52 Å²	52	63.7 Å²	63.7	24%	0.241	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.8	178.4	-65.6	-92.3	0	0	0	110.9	I499 V503 D518 L535	I499-H520 HydrophobicContact CG2-CB 3.82Å; V503-H520 HydrophobicContact CG2-CB 3.93Å; D518-H520 IonicContact OD1-NE2 2.7Å; D518-H520 IonicContact OD2-CD2 3.49Å; D518-H520 IonicContact OD2-CE1 3.28Å; D518-H520 IonicContact OD2-NE2 3.48Å; D518-H520 PolarHBondContact OD2-NE2 3.46Å; H520-L535 HydrophobicContact CB-CB 4.31Å; H520-L535 PolarHBondContact N-O 2.72Å; H520-L535 PolarHBondContact O-N 3.28Å
521	V	90.7	Very high	82.7	Confident	67 Å²	67	56.3 Å²	56.3	41%	0.406	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.9	174.6	-176.8	0	0	0	0	109.6	F519 Y532 L533 Q534	F519-V521 HydrophobicContact CD1-CG2 4.44Å; F519-V521 HydrophobicContact CE1-CG2 3.49Å; F519-V521 VanDerWaalsContact CE1-CG2 3.49Å; F519-V521 HydrophobicContact CE2-CG2 4.46Å; F519-V521 HydrophobicContact CZ-CG2 3.5Å; V521-Y532 HydrophobicContact CG1-CD1 3.71Å; V521-Y532 HydrophobicContact CG1-CE1 4.49Å; V521-Y532 HydrophobicContact CG1-CG 4.18Å; V521-L533 WeakPolarHBondContact CA-O 3.47Å; V521-Q534 HydrophobicContact CG2-CG 4.4Å
522	K	90.6	Very high	83.6	Confident	53 Å²	53	58.4 Å²	58.4	23%	0.23	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.7	174	-176.2	62.2	168.4	-146.7	0	109.9	F502 V503 L533 L535	F502-K522 HydrophobicContact CD1-CB 4.22Å; F502-K522 HydrophobicContact CD1-CG 4.06Å; F502-K522 HydrophobicContact CE1-CB 3.76Å; F502-K522 HydrophobicContact CE1-CG 3.55Å; F502-K522 HydrophobicContact CE2-CG 4.38Å; F502-K522 HydrophobicContact CZ-CB 4.39Å; F502-K522 HydrophobicContact CZ-CG 3.73Å; F502-K522 WeakPolarHBondContact O-CE 3.49Å; F502-K522 PolarHBondContact O-NZ 3.13Å; V503-K522 HydrophobicContact CG2-CB 4.42Å; V503-K522 PolarHBondContact O-NZ 3.23Å; V503-K522 VanDerWaalsContact O-NZ 3.07Å; K522-L533 PolarHBondContact N-O 3.1Å; K522-L533 PolarHBondContact O-N 2.94Å; K522-L535 HydrophobicContact CB-CD1 4.46Å
523	F	90.1	Very high	84.5	Confident	69 Å²	69	53.6 Å²	53.6	30%	0.303	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	137.7	167.1	-178.1	-98.5	0	0	0	109.8	A479 N530 Y532	A479-F523 HydrophobicContact CB-CE2 4.37Å; F523-N530 HydrophobicContact CE2-CB 3.86Å; F523-N530 HydrophobicContact CZ-CB 3.77Å; F523-Y532 HydrophobicContact CB-CD1 4.02Å; F523-Y532 HydrophobicContact CB-CE1 3.78Å; F523-Y532 HydrophobicContact CD2-CD1 4.08Å; F523-Y532 AromaticContact CD2-CE1 3.69Å; F523-Y532 HydrophobicContact CD2-CE1 3.69Å; F523-Y532 AromaticContact CD2-CZ 3.94Å; F523-Y532 HydrophobicContact CG-CE1 4.22Å
524	M	89.5	Confident	85.2	Confident	9 Å²	9	50.6 Å²	50.6	4%	0.044	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	149.5	178.1	-163.6	166.7	69.6	0	0	110.7	F502 L531 L533 F640 M641 A644	F502-M524 HydrophobicContact CE2-SD 4.32Å; F502-M524 HydrophobicContact CZ-SD 3.87Å; M524-L531 HydrophobicContact CB-CD1 4.15Å; M524-L531 HydrophobicContact CE-CD1 4.24Å; M524-L531 PolarHBondContact N-O 3.45Å; M524-L531 PolarHBondContact O-N 3.34Å; M524-L533 HydrophobicContact CE-CD1 3.8Å; M524-L533 HydrophobicContact CE-CG 4.44Å; M524-L533 HydrophobicContact SD-CD1 4.42Å; M524-F640 HydrophobicContact SD-CB 4.34Å; M524-M641 HydrophobicContact CE-CG 4.48Å; M524-M641 HydrophobicContact CE-SD 3.86Å; M524-M641 HydrophobicContact CG-SD 3.79Å; M524-M641 HydrophobicContact SD-CG 4Å; M524-M641 HydrophobicContact SD-SD 3.59Å; M524-A644 HydrophobicContact CE-CB 3.28Å
525	H	88.1	Confident	86.4	Confident	101 Å²	101	49.2 Å²	49.2	47%	0.468	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113.7	175.4	-174.9	82.7	0	0	0	109.4	G528 N530	H525-G528 PolarHBondContact CE1-O 3.18Å; H525-G528 WeakPolarHBondContact NE2-CA 3.31Å; H525-G528 PolarHBondContact NE2-N 3.12Å; H525-N530 PolarHBondContact ND1-OD1 3.32Å
526	C	87	Confident	87.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.9	-176.7	-168.9	0	0	0	0	110.6	G528 T529 L531 M641 A644 K648	C526-G528 VanDerWaalsContact C-N 3.34Å; C526-G528 PolarHBondContact O-N 2.88Å; C526-T529 PolarHBondContact N-O 3.36Å; C526-T529 PolarHBondContact O-N 3.08Å; C526-T529 PolarHBondContact O-OG1 3.28Å; C526-L531 HydrophobicContact CB-CD2 3.72Å; C526-M641 HydrophobicContact CB-CE 4.33Å; C526-M641 HydrophobicContact CB-SD 4.36Å; C526-A644 HydrophobicContact CB-CB 4.3Å; C526-K648 PolarHBondContact O-NZ 3.43Å
527	D	85.9	Confident	88.2	Confident	82 Å²	82	43.9 Å²	43.9	44%	0.439	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	53.5	175.1	-47.4	-34.3	0	0	0	112.9	T529 R645 K648	D527-T529 VanDerWaalsContact C-N 3.31Å; D527-T529 PolarHBondContact O-N 3.29Å; D527-R645 IonicContact OD1-CZ 3.72Å; D527-R645 IonicContact OD1-NE 3.87Å; D527-R645 IonicContact OD1-NH2 2.73Å; D527-R645 PolarHBondContact OD1-NH2 3.15Å; D527-R645 IonicContact OD2-CZ 3.56Å; D527-R645 IonicContact OD2-NE 2.72Å; D527-R645 PolarHBondContact OD2-NE 2.82Å; D527-R645 IonicContact OD2-NH2 2.58Å; D527-R645 PolarHBondContact OD2-NH2 2.66Å; D527-K648 PolarHBondContact O-NZ 3.07Å
528	G	82.3	Confident	88.5	Confident	54 Å²	54	42.1 Å²	42.1	56%	0.557	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	-13.3	178.9	0	0	0	0	0	116.1	H525 C526	H525-G528 PolarHBondContact CE1-O 3.18Å; H525-G528 WeakPolarHBondContact NE2-CA 3.31Å; H525-G528 PolarHBondContact NE2-N 3.12Å; C526-G528 VanDerWaalsContact C-N 3.34Å; C526-G528 PolarHBondContact O-N 2.88Å
529	T	84.7	Confident	88.2	Confident	21 Å²	21	38.8 Å²	38.8	13%	0.129	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.6	-176.5	55.3	0	0	0	0	112.2	E480 C526 D527 K648	E480-T529 WeakPolarHBondContact OE2-CB 3.48Å; E480-T529 VanDerWaalsContact OE2-CG2 3.3Å; E480-T529 WeakPolarHBondContact OE2-CG2 3.29Å; C526-T529 PolarHBondContact N-O 3.36Å; C526-T529 PolarHBondContact O-N 3.08Å; C526-T529 PolarHBondContact O-OG1 3.28Å; D527-T529 VanDerWaalsContact C-N 3.31Å; D527-T529 PolarHBondContact O-N 3.29Å; T529-K648 VanDerWaalsContact CG2-NZ 3.29Å; T529-K648 WeakPolarHBondContact OG1-CE 3.44Å; T529-K648 PolarHBondContact OG1-NZ 3.29Å
530	N	87.7	Confident	87.1	Confident	15 Å²	15	35 Å²	35	8%	0.08	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	126.7	177.5	-63.3	-46.4	0	0	0	110.4	A479 E480 F523 H525	A479-N530 CarbonylContact C-O 3.4Å; A479-N530 WeakPolarHBondContact CA-O 3.26Å; E480-N530 PolarHBondContact N-O 3.49Å; F523-N530 HydrophobicContact CE2-CB 3.86Å; F523-N530 HydrophobicContact CZ-CB 3.77Å; H525-N530 PolarHBondContact ND1-OD1 3.32Å
531	L	91.9	Very high	86.1	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	152.4	-176.5	65.5	91.1	0	0	0	112.8	R481 Y483 M524 C526 L533 A644	R481-L531 HydrophobicContact CB-CB 4.28Å; R481-L531 VanDerWaalsContact O-CA 3.27Å; R481-L531 WeakPolarHBondContact O-CA 3.34Å; Y483-L531 HydrophobicContact CD2-CD1 4.34Å; Y483-L531 HydrophobicContact CE2-CD2 4.17Å; M524-L531 HydrophobicContact CB-CD1 4.15Å; M524-L531 HydrophobicContact CE-CD1 4.24Å; M524-L531 PolarHBondContact N-O 3.45Å; M524-L531 PolarHBondContact O-N 3.34Å; C526-L531 HydrophobicContact CB-CD2 3.72Å; L531-L533 HydrophobicContact CD1-CD2 3.6Å; L531-L533 HydrophobicContact CD1-CG 3.72Å; L531-A644 HydrophobicContact CD1-CB 4.41Å; L531-A644 HydrophobicContact CD2-CB 4Å
532	Y	92	Very high	84.3	Confident	85 Å²	85	37.5 Å²	37.5	33%	0.333	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129	167	-72.3	-67.5	0	0	0	110.6	A479 R481 V482 Y483 V521 F523	A479-Y532 HydrophobicContact CB-CD2 3.25Å; A479-Y532 HydrophobicContact CB-CE2 3.32Å; A479-Y532 HydrophobicContact CB-CG 4.15Å; R481-Y532 PolarHBondContact O-N 2.92Å; V482-Y532 WeakPolarHBondContact CA-O 3.26Å; V482-Y532 HydrophobicContact CG2-CD2 4.41Å; Y483-Y532 PolarHBondContact N-O 2.92Å; V521-Y532 HydrophobicContact CG1-CD1 3.71Å; V521-Y532 HydrophobicContact CG1-CE1 4.49Å; V521-Y532 HydrophobicContact CG1-CG 4.18Å; F523-Y532 HydrophobicContact CB-CD1 4.02Å; F523-Y532 HydrophobicContact CB-CE1 3.78Å; F523-Y532 HydrophobicContact CD2-CD1 4.08Å; F523-Y532 AromaticContact CD2-CE1 3.69Å; F523-Y532 HydrophobicContact CD2-CE1 3.69Å; F523-Y532 AromaticContact CD2-CZ 3.94Å; F523-Y532 HydrophobicContact CG-CE1 4.22Å
533	L	92.1	Very high	82.9	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.9	164.7	-62.1	-177.3	0	0	0	109.2	Y483 V485 F502 V521 K522 M524 L531 L535 F640	Y483-L533 HydrophobicContact CD2-CD2 4.14Å; V485-L533 HydrophobicContact CG2-CD2 4.34Å; F502-L533 HydrophobicContact CE1-CD1 4.05Å; F502-L533 HydrophobicContact CZ-CD1 4.18Å; V521-L533 WeakPolarHBondContact CA-O 3.47Å; K522-L533 PolarHBondContact N-O 3.1Å; K522-L533 PolarHBondContact O-N 2.94Å; M524-L533 HydrophobicContact CE-CD1 3.8Å; M524-L533 HydrophobicContact CE-CG 4.44Å; M524-L533 HydrophobicContact SD-CD1 4.42Å; L531-L533 HydrophobicContact CD1-CD2 3.6Å; L531-L533 HydrophobicContact CD1-CG 3.72Å; L533-L535 HydrophobicContact CB-CD2 3.75Å; L533-L535 HydrophobicContact CB-CG 4.42Å; L533-F640 HydrophobicContact CD1-CB 4.47Å; L533-F640 HydrophobicContact CD1-CD1 3.78Å; L533-F640 HydrophobicContact CD1-CE1 4.44Å; L533-F640 HydrophobicContact CD1-CG 4.49Å
534	Q	92.4	Very high	81.4	Confident	57 Å²	57	41.5 Å²	41.5	27%	0.266	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	110.7	167.2	-68.9	-175.3	4.1	0	0	108.7	V482 Y483 V485 F519 V521	V482-Q534 HydrophobicContact CG1-CG 3.83Å; Y483-Q534 PolarHBondContact O-N 3.33Å; V485-Q534 PolarHBondContact N-O 3.37Å; F519-Q534 HydrophobicContact CE2-CB 3.9Å; F519-Q534 HydrophobicContact CE2-CG 4.07Å; F519-Q534 HydrophobicContact CZ-CB 4.33Å; F519-Q534 HydrophobicContact CZ-CG 4.04Å; V521-Q534 HydrophobicContact CG2-CG 4.4Å
535	L	92.1	Very high	80.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	113.9	-173.7	-49.2	179	0	0	0	109.3	V485 F487 I499 F502 V503 H520 K522 L533 F640	V485-L535 HydrophobicContact CB-CD2 4.2Å; F487-L535 HydrophobicContact CE2-CB 4.5Å; F487-L535 HydrophobicContact CE2-CD2 4.29Å; I499-L535 HydrophobicContact CG2-CB 4.29Å; I499-L535 HydrophobicContact CG2-CD1 4.09Å; F502-L535 HydrophobicContact CD1-CD1 3.75Å; F502-L535 HydrophobicContact CE1-CD1 4.11Å; V503-L535 HydrophobicContact CG2-CD1 3.88Å; H520-L535 HydrophobicContact CB-CB 4.31Å; H520-L535 PolarHBondContact N-O 2.72Å; H520-L535 PolarHBondContact O-N 3.28Å; K522-L535 HydrophobicContact CB-CD1 4.46Å; L533-L535 HydrophobicContact CB-CD2 3.75Å; L533-L535 HydrophobicContact CB-CG 4.42Å; L535-F640 HydrophobicContact CD1-CE1 4.42Å; L535-F640 HydrophobicContact CD1-CZ 4.31Å; L535-F640 HydrophobicContact CD2-CE1 3.73Å; L535-F640 HydrophobicContact CD2-CZ 4.35Å
536	W	88.9	Confident	78.9	Confident	52 Å²	52	43.7 Å²	43.7	20%	0.197	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	101.9	179.7	-61.5	71.6	0	0	0	109.1	K484 V485 I486 F487 I517 F519 Y551	K484-W536 HydrophobicContact CD-CZ2 4.13Å; V485-W536 PolarHBondContact O-N 3.08Å; I486-W536 HydrophobicContact CB-CB 4.5Å; I486-W536 HydrophobicContact CG1-CB 4.15Å; I486-W536 HydrophobicContact CG1-CG 4.44Å; I486-W536 HydrophobicContact CG2-CB 4.44Å; F487-W536 PolarHBondContact N-O 2.68Å; I517-W536 HydrophobicContact CG2-CE3 3.93Å; F519-W536 AromaticContact CD2-CD2 3.92Å; F519-W536 HydrophobicContact CD2-CD2 3.92Å; F519-W536 AromaticContact CD2-CE2 3.63Å; F519-W536 HydrophobicContact CD2-CE3 4.3Å; F519-W536 HydrophobicContact CD2-CG 4.4Å; F519-W536 HydrophobicContact CD2-CH2 4.2Å; F519-W536 AromaticContact CD2-CZ2 3.81Å; F519-W536 HydrophobicContact CD2-CZ2 3.81Å; F519-W536 HydrophobicContact CD2-CZ3 4.42Å; F519-W536 AromaticContact CD2-NE1 3.93Å; F519-W536 HydrophobicContact CE2-CD2 4.45Å; F519-W536 AromaticContact CE2-CE2 3.71Å; F519-W536 HydrophobicContact CE2-CH2 4.45Å; F519-W536 AromaticContact CE2-CZ2 3.73Å; F519-W536 HydrophobicContact CE2-CZ2 3.73Å; F519-W536 AromaticContact CE2-NE1 3.76Å; W536-Y551 AromaticContact CE3-CD1 3.81Å; W536-Y551 HydrophobicContact CE3-CD1 3.81Å; W536-Y551 HydrophobicContact CE3-CE1 4.07Å; W536-Y551 AromaticContact CZ3-CD1 3.77Å; W536-Y551 HydrophobicContact CZ3-CD1 3.77Å; W536-Y551 AromaticContact CZ3-CE1 3.66Å; W536-Y551 HydrophobicContact CZ3-CE1 3.66Å
537	D	89.2	Confident	77.6	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	132	173.3	-170.8	32	0	0	0	109.7	K495 S496 I499 T514 I517 D518	K495-D537 VanDerWaalsContact CB-OD1 3.3Å; K495-D537 WeakPolarHBondContact CB-OD1 3.4Å; S496-D537 WeakPolarHBondContact CB-OD2 3.13Å; S496-D537 PolarHBondContact OG-OD2 3.48Å; I499-D537 HydrophobicContact CD1-CB 3.46Å; I499-D537 VanDerWaalsContact CD1-CB 3.46Å; T514-D537 WeakPolarHBondContact CG2-OD2 3.5Å; T514-D537 PolarHBondContact OG1-OD2 2.89Å; I517-D537 CarbonylContact C-O 3.45Å; I517-D537 WeakPolarHBondContact CA-O 3.5Å; I517-D537 VanDerWaalsContact CG2-O 3.29Å; I517-D537 WeakPolarHBondContact CG2-O 3.35Å; D518-D537 HydrophobicContact CB-CB 4.16Å; D518-D537 PolarHBondContact N-O 3.06Å; D518-D537 PolarHBondContact O-N 2.92Å
538	T	84	Confident	76.6	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	142.6	-179.8	72.3	0	0	0	0	111.9	I486 F487 K495 I517 G540 T548	I486-T538 HydrophobicContact CG2-CG2 3.71Å; F487-T538 WeakPolarHBondContact O-CB 3.19Å; F487-T538 VanDerWaalsContact O-CG2 3.31Å; F487-T538 WeakPolarHBondContact O-CG2 3.31Å; F487-T538 PolarHBondContact O-OG1 2.99Å; K495-T538 WeakPolarHBondContact CE-O 3.09Å; K495-T538 PolarHBondContact NZ-O 3.04Å; I517-T538 HydrophobicContact CD1-CG2 4.32Å; I517-T538 HydrophobicContact CG1-CG2 4.25Å; T538-G540 PolarHBondContact O-N 2.99Å; T538-G540 VanDerWaalsContact O-N 3.16Å; T538-T548 HydrophobicContact CG2-CG2 4.17Å
539	A	77.3	Confident	76.1	Confident	3 Å²	3	46.5 Å²	46.5	3%	0.025	22%	0.216	C	C	.	.			trans	-57.8	120.4	172.8	0	0	0	0	0	110.1	T514 A516 Q541 F544	T514-A539 WeakPolarHBondContact O-CB 3.49Å; A516-A539 VanDerWaalsContact O-CB 3.22Å; A516-A539 WeakPolarHBondContact O-CB 3.47Å; A516-A539 PolarHBondContact O-N 2.66Å; A539-Q541 PolarHBondContact O-N 2.93Å; A539-F544 HydrophobicContact CB-CD2 3.91Å
540	G	64.5	Low	75.4	Confident	10 Å²	10	52.7 Å²	52.7	10%	0.103	24%	0.243	C	C	.	.			trans	-74.8	14.6	-179.8	0	0	0	0	0	115.3	G489 D490 S491 K495 T538	G489-G540 VanDerWaalsContact O-CA 3.32Å; G489-G540 WeakPolarHBondContact O-CA 3.42Å; D490-G540 CarbonylContact C-O 3.59Å; S491-G540 PolarHBondContact N-O 3.34Å; K495-G540 VanDerWaalsContact NZ-CA 3.31Å; T538-G540 PolarHBondContact O-N 2.99Å; T538-G540 VanDerWaalsContact O-N 3.16Å
541	Q	66.7	Low	74.6	Confident	60 Å²	60	55.2 Å²	55.2	28%	0.28	25%	0.252	S	S	.	.			trans	-87.1	131.3	178.3	-94.7	-178.6	70.9	0	0	110.7	A539 K543 F544	A539-Q541 PolarHBondContact O-N 2.93Å; Q541-K543 PolarHBondContact O-N 2.65Å; Q541-K543 VanDerWaalsContact O-N 3.16Å; Q541-K543 VanDerWaalsContact OE1-CE 3.29Å; Q541-F544 HydrophobicContact CB-CD2 3.77Å; Q541-F544 HydrophobicContact CB-CE2 4.15Å; Q541-F544 PolarHBondContact O-N 3.06Å
542	E	54.3	Low	73.7	Confident	112 Å²	112	55.3 Å²	55.3	52%	0.523	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-49.1	-37.7	176.4	66.4	-55.4	132.2	0	0	113.6	F544 R545	E542-F544 PolarHBondContact O-N 2.93Å; E542-R545 PolarHBondContact O-N 2.92Å
543	K	60.6	Low	72.5	Confident	141 Å²	141	60.5 Å²	60.5	61%	0.613	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-60.4	-21.8	176.5	-76.5	171.9	-71.3	179.6	0	114.7	Q541	Q541-K543 PolarHBondContact O-N 2.65Å; Q541-K543 VanDerWaalsContact O-N 3.16Å; Q541-K543 VanDerWaalsContact OE1-CE 3.29Å
544	F	57.8	Low	71.6	Confident	64 Å²	64	68.6 Å²	68.6	28%	0.281	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-103.8	2	-177.7	-57.9	-60.8	0	0	0	114.3	A539 Q541 E542 S546 I547 T548	A539-F544 HydrophobicContact CB-CD2 3.91Å; Q541-F544 HydrophobicContact CB-CD2 3.77Å; Q541-F544 HydrophobicContact CB-CE2 4.15Å; Q541-F544 PolarHBondContact O-N 3.06Å; E542-F544 PolarHBondContact O-N 2.93Å; F544-S546 PolarHBondContact O-N 2.92Å; F544-I547 HydrophobicContact CB-CD1 4.45Å; F544-I547 HydrophobicContact CD1-CD1 3.72Å; F544-I547 HydrophobicContact CG-CD1 4.49Å; F544-I547 WeakPolarHBondContact O-CB 3.28Å; F544-I547 PolarHBondContact O-N 3.45Å; F544-T548 PolarHBondContact O-N 3.22Å; F544-T548 PolarHBondContact O-OG1 2.92Å
545	R	63.6	Low	71.2	Confident	78 Å²	78	66 Å²	66	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-52.5	-33.6	177.5	-77	-176.2	175	177.1	3.4	113.3	D490 E542 I547 T548 R549 W576	D490-R545 IonicContact OD1-NH2 3.47Å; E542-R545 PolarHBondContact O-N 2.92Å; R545-I547 VanDerWaalsContact C-N 3.32Å; R545-I547 PolarHBondContact O-N 3.1Å; R545-T548 PolarHBondContact O-N 2.67Å; R545-R549 VanDerWaalsContact O-CG 3.23Å; R545-R549 WeakPolarHBondContact O-CG 3.26Å; R545-R549 PolarHBondContact O-N 3.4Å; R545-W576 HydrophobicContact CG-CH2 3.57Å; R545-W576 HydrophobicContact CG-CZ2 4.35Å; R545-W576 HydrophobicContact CG-CZ3 3.94Å
546	S	61	Low	71.1	Confident	79 Å²	79	69.3 Å²	69.3	55%	0.552	31%	0.312	S	S	*	.	H	α-helix	trans	-65.5	-29.6	176.1	55.2	0	0	0	0	114	F544	F544-S546 PolarHBondContact O-N 2.92Å
547	I	60	Low	71.2	Confident	59 Å²	59	66.8 Å²	66.8	30%	0.303	30%	0.303	S	S	.	.	H	α-helix	trans	-73.1	-46.7	175.2	-59.3	-176.8	0	0	0	109.1	I517 F544 R545 R549 Q550 Y551	I517-I547 HydrophobicContact CD1-CG2 4.34Å; F544-I547 HydrophobicContact CB-CD1 4.45Å; F544-I547 HydrophobicContact CD1-CD1 3.72Å; F544-I547 HydrophobicContact CG-CD1 4.49Å; F544-I547 WeakPolarHBondContact O-CB 3.28Å; F544-I547 PolarHBondContact O-N 3.45Å; R545-I547 VanDerWaalsContact C-N 3.32Å; R545-I547 PolarHBondContact O-N 3.1Å; I547-R549 PolarHBondContact O-N 2.82Å; I547-R549 VanDerWaalsContact O-N 3.11Å; I547-Q550 PolarHBondContact O-N 2.92Å; I547-Y551 HydrophobicContact CG2-CD2 4.46Å; I547-Y551 HydrophobicContact CG2-CE2 3.83Å; I547-Y551 WeakPolarHBondContact O-CD2 3.07Å
548	T	66.2	Low	71.3	Confident	4 Å²	4	66.8 Å²	66.8	3%	0.025	30%	0.303	C	S	.	.	H	α-helix	trans	-52	-37.5	179.6	-40.6	0	0	0	0	112.5	V488 T538 F544 R545 Q550 Y551 Y552	V488-T548 HydrophobicContact CG1-CG2 3.99Å; T538-T548 HydrophobicContact CG2-CG2 4.17Å; F544-T548 PolarHBondContact O-N 3.22Å; F544-T548 PolarHBondContact O-OG1 2.92Å; R545-T548 PolarHBondContact O-N 2.67Å; T548-Q550 PolarHBondContact O-N 3.28Å; T548-Q550 VanDerWaalsContact O-N 3.1Å; T548-Y551 PolarHBondContact O-N 3.04Å; T548-Y552 HydrophobicContact CG2-CE1 3.96Å; T548-Y552 HydrophobicContact CG2-CE2 4.02Å; T548-Y552 PolarHBondContact O-N 2.92Å
549	R	70.8	Confident	71.7	Confident	131 Å²	131	66.8 Å²	66.8	49%	0.494	30%	0.303	S	S	.	.	H	α-helix	trans	-51.3	-35.8	178.3	-47.2	-164.1	122.2	165.2	-3.4	114.3	R545 I547 Y551 E583	R545-R549 VanDerWaalsContact O-CG 3.23Å; R545-R549 WeakPolarHBondContact O-CG 3.26Å; R545-R549 PolarHBondContact O-N 3.4Å; I547-R549 PolarHBondContact O-N 2.82Å; I547-R549 VanDerWaalsContact O-N 3.11Å; R549-Y551 VanDerWaalsContact C-N 3.3Å; R549-Y551 PolarHBondContact O-N 3.45Å; R549-E583 VanDerWaalsContact CA-OE2 3.27Å; R549-E583 WeakPolarHBondContact CA-OE2 3.5Å; R549-E583 WeakPolarHBondContact CB-OE2 3.42Å; R549-E583 WeakPolarHBondContact CG-OE2 3.42Å; R549-E583 IonicContact CZ-OE1 3.66Å; R549-E583 VanDerWaalsContact NE-CD 3.31Å; R549-E583 IonicContact NE-OE1 3.95Å; R549-E583 PolarHBondContact NE-OE1 3.27Å; R549-E583 IonicContact NE-OE2 3.35Å; R549-E583 PolarHBondContact NE-OE2 2.89Å; R549-E583 IonicContact NH2-OE1 2.87Å; R549-E583 PolarHBondContact NH2-OE1 3.45Å
550	Q	70.3	Confident	72.4	Confident	152 Å²	152	66.6 Å²	66.6	71%	0.71	30%	0.301	S	S	*	.	H	α-helix	trans	-73.9	-24.5	-177.6	-62.1	-172.2	-1.3	0	0	112.5	I547 T548	I547-Q550 PolarHBondContact O-N 2.92Å; T548-Q550 PolarHBondContact O-N 3.28Å; T548-Q550 VanDerWaalsContact O-N 3.1Å
551	Y	71.8	Confident	73.8	Confident	67 Å²	67	66.2 Å²	66.2	26%	0.263	30%	0.297	S	S	.	.	H	α-helix	trans	-88.6	-27.6	-176.2	-66.1	-94.9	0	0	0	112.6	K484 I486 I517 W536 I547 T548 R549 R553	K484-Y551 PolarHBondContact NZ-O 3.36Å; I486-Y551 VanDerWaalsContact CD1-C 3.42Å; I486-Y551 WeakPolarHBondContact CD1-O 3.16Å; I517-Y551 HydrophobicContact CD1-CD1 4.04Å; I517-Y551 HydrophobicContact CD1-CD2 3.39Å; I517-Y551 HydrophobicContact CD1-CE1 4Å; I517-Y551 HydrophobicContact CD1-CE2 3.36Å; I517-Y551 HydrophobicContact CD1-CG 3.76Å; W536-Y551 AromaticContact CE3-CD1 3.81Å; W536-Y551 HydrophobicContact CE3-CD1 3.81Å; W536-Y551 HydrophobicContact CE3-CE1 4.07Å; W536-Y551 AromaticContact CZ3-CD1 3.77Å; W536-Y551 HydrophobicContact CZ3-CD1 3.77Å; W536-Y551 AromaticContact CZ3-CE1 3.66Å; W536-Y551 HydrophobicContact CZ3-CE1 3.66Å; I547-Y551 HydrophobicContact CG2-CD2 4.46Å; I547-Y551 HydrophobicContact CG2-CE2 3.83Å; I547-Y551 WeakPolarHBondContact O-CD2 3.07Å; T548-Y551 PolarHBondContact O-N 3.04Å; R549-Y551 VanDerWaalsContact C-N 3.3Å; R549-Y551 PolarHBondContact O-N 3.45Å; Y551-R553 PolarHBondContact O-N 3.38Å
552	Y	72	Confident	75.1	Confident	3 Å²	3	63.4 Å²	63.4	1%	0.012	28%	0.284	C	S	.	.	H	α-helix	trans	-57.7	-32.5	173.4	-67.7	-42.5	0	0	0	113.6	I486 V488 T548 K554 S555 V558 V580 E583 T584	I486-Y552 HydrophobicContact CD1-CD1 4.24Å; V488-Y552 HydrophobicContact CG1-CE1 3.85Å; T548-Y552 HydrophobicContact CG2-CE1 3.96Å; T548-Y552 HydrophobicContact CG2-CE2 4.02Å; T548-Y552 PolarHBondContact O-N 2.92Å; Y552-K554 PolarHBondContact O-N 3.46Å; Y552-K554 VanDerWaalsContact O-N 3.07Å; Y552-S555 PolarHBondContact O-N 3.22Å; Y552-S555 PolarHBondContact O-OG 3.48Å; Y552-V558 HydrophobicContact CD1-CG2 4.25Å; Y552-V558 HydrophobicContact CE1-CG1 4.48Å; Y552-V558 HydrophobicContact CE1-CG2 4.44Å; Y552-V580 HydrophobicContact CE1-CG2 3.95Å; Y552-E583 HydrophobicContact CD2-CB 3.81Å; Y552-E583 VanDerWaalsContact CD2-OE2 3.24Å; Y552-E583 WeakPolarHBondContact CD2-OE2 3.37Å; Y552-E583 WeakPolarHBondContact CE2-OE2 3.38Å; Y552-E583 HydrophobicContact CG-CB 4.49Å; Y552-T584 HydrophobicContact CD1-CG2 4.1Å; Y552-T584 HydrophobicContact CG-CG2 4.06Å
553	R	66.9	Low	77	Confident	194 Å²	194	58.6 Å²	58.6	73%	0.732	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	115	172.5	-70	-176.3	175.7	177.3	-1.1	108.6	Y551	Y551-R553 PolarHBondContact O-N 3.38Å
554	K	72.5	Confident	78.5	Confident	172 Å²	172	51.9 Å²	51.9	75%	0.748	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	43.4	-168.9	-40	171	-177.1	-177.7	0	113.9	K484 Y552	K484-K554 WeakPolarHBondContact CD-O 3.43Å; K484-K554 PolarHBondContact NZ-O 3.17Å; Y552-K554 PolarHBondContact O-N 3.46Å; Y552-K554 VanDerWaalsContact O-N 3.07Å
555	S	83.6	Confident	80	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.028	24%	0.235	C	C	.	.			trans	-97.8	123.5	157.7	59	0	0	0	0	109.6	Y552 G557 T588	Y552-S555 PolarHBondContact O-N 3.22Å; Y552-S555 PolarHBondContact O-OG 3.48Å; S555-G557 VanDerWaalsContact C-N 3.33Å; S555-T588 WeakPolarHBondContact O-CG2 3.49Å; S555-T588 PolarHBondContact O-OG1 2.9Å
556	D	90	Very high	81.2	Confident	68 Å²	68	50.8 Å²	50.8	36%	0.364	24%	0.237	S	C	.	.	S	Bend	trans	-74.2	-32.8	174.7	-43.6	-64.3	0	0	0	110.2	Y483 K484 T588 V589 L647	Y483-D556 WeakPolarHBondContact CA-OD2 3.47Å; Y483-D556 HydrophobicContact CD1-CB 4.26Å; K484-D556 PolarHBondContact N-OD2 3.19Å; K484-D556 PolarHBondContact O-N 3.37Å; D556-T588 WeakPolarHBondContact O-CA 3.41Å; D556-V589 PolarHBondContact O-N 3.22Å; D556-L647 VanDerWaalsContact C-CD2 3.44Å; D556-L647 HydrophobicContact CB-CD2 3.67Å; D556-L647 WeakPolarHBondContact O-CD2 3.42Å
557	G	91.6	Very high	82.6	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.7	178.2	0	0	0	0	0	114.3	K484 V485 I486 S555 V589	K484-G557 PolarHBondContact O-N 3.01Å; K484-G557 VanDerWaalsContact O-N 3.07Å; V485-G557 VanDerWaalsContact CA-O 3.31Å; V485-G557 WeakPolarHBondContact CA-O 3.34Å; I486-G557 PolarHBondContact N-O 2.96Å; S555-G557 VanDerWaalsContact C-N 3.33Å; G557-V589 CarbonylContact C-O 3.52Å; G557-V589 VanDerWaalsContact CA-O 3.28Å; G557-V589 WeakPolarHBondContact CA-O 3.49Å
558	V	91.3	Very high	84	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.1	170.4	-179.7	0	0	0	0	110	I486 V488 Y552 I560 V580 T584 T588 V589 I590 L591	I486-V558 CarbonylContact O-C 3.55Å; I486-V558 WeakPolarHBondContact O-CA 3.32Å; V488-V558 HydrophobicContact CG1-CG1 4.41Å; V488-V558 HydrophobicContact CG2-CG1 3.77Å; Y552-V558 HydrophobicContact CD1-CG2 4.25Å; Y552-V558 HydrophobicContact CE1-CG1 4.48Å; Y552-V558 HydrophobicContact CE1-CG2 4.44Å; V558-I560 HydrophobicContact CG1-CG1 4.29Å; V558-V580 HydrophobicContact CB-CG1 4.17Å; V558-V580 HydrophobicContact CG1-CG1 4.22Å; V558-V580 HydrophobicContact CG1-CG2 3.87Å; V558-V580 HydrophobicContact CG2-CG1 4.09Å; V558-T584 HydrophobicContact CG2-CG2 4.24Å; V558-T588 HydrophobicContact CG2-CG2 3.91Å; V558-V589 PolarHBondContact N-O 3.46Å; V558-I590 WeakPolarHBondContact O-CA 3.07Å; V558-L591 PolarHBondContact O-N 2.97Å
559	I	93.7	Very high	85.1	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.2	175.3	-64.4	179.5	0	0	0	108.4	V485 I486 F487 V488 V561 L591 L593 F640 M643	V485-I559 HydrophobicContact CG1-CD1 3.57Å; V485-I559 HydrophobicContact CG1-CG1 3.7Å; I486-I559 PolarHBondContact O-N 3.49Å; F487-I559 CarbonylContact C-O 3.51Å; F487-I559 WeakPolarHBondContact CA-O 3.46Å; F487-I559 HydrophobicContact CD1-CB 4.17Å; F487-I559 HydrophobicContact CD1-CG2 3.94Å; F487-I559 HydrophobicContact CE1-CB 4.06Å; F487-I559 HydrophobicContact CE1-CD1 4.02Å; F487-I559 HydrophobicContact CE1-CG2 3.64Å; F487-I559 HydrophobicContact CE2-CB 4.41Å; F487-I559 HydrophobicContact CE2-CD1 3.69Å; F487-I559 HydrophobicContact CE2-CG1 4.48Å; F487-I559 HydrophobicContact CG-CB 4.39Å; F487-I559 HydrophobicContact CZ-CB 4.16Å; F487-I559 HydrophobicContact CZ-CD1 3.35Å; F487-I559 HydrophobicContact CZ-CG1 4.29Å; F487-I559 HydrophobicContact CZ-CG2 4.11Å; V488-I559 PolarHBondContact N-O 2.88Å; I559-V561 HydrophobicContact CG2-CG2 3.91Å; I559-L591 WeakPolarHBondContact CA-O 3.46Å; I559-L591 HydrophobicContact CD1-CD2 4.33Å; I559-L591 HydrophobicContact CG1-CB 4.21Å; I559-L591 HydrophobicContact CG1-CD2 4.22Å; I559-L593 HydrophobicContact CG2-CD1 3.47Å; I559-L593 VanDerWaalsContact CG2-CD1 3.47Å; I559-L593 HydrophobicContact CG2-CG 3.68Å; I559-F640 HydrophobicContact CD1-CD1 4.3Å; I559-F640 HydrophobicContact CD1-CE1 3.82Å; I559-F640 HydrophobicContact CD1-CZ 4.4Å; I559-M643 HydrophobicContact CD1-CE 4.38Å; I559-M643 HydrophobicContact CD1-SD 3.62Å; I559-M643 HydrophobicContact CG1-CE 3.66Å; I559-M643 HydrophobicContact CG1-SD 3.57Å; I559-M643 VanDerWaalsContact CG1-SD 3.57Å
560	I	92.2	Very high	86.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117.5	175.8	-48.7	-179.2	0	0	0	108.4	V488 V558 V573 W576 L577 I590 L591 I592 L593	V488-I560 HydrophobicContact CG2-CB 4.22Å; V488-I560 HydrophobicContact CG2-CG1 3.73Å; V488-I560 HydrophobicContact CG2-CG2 4.32Å; V488-I560 WeakPolarHBondContact O-CA 3.46Å; V558-I560 HydrophobicContact CG1-CG1 4.29Å; I560-V573 HydrophobicContact CG2-CG1 4.11Å; I560-V573 HydrophobicContact CG2-CG2 4.22Å; I560-W576 HydrophobicContact CD1-CB 4.45Å; I560-W576 HydrophobicContact CG2-CB 4.01Å; I560-L577 HydrophobicContact CD1-CB 4.4Å; I560-L577 HydrophobicContact CD1-CD2 3.49Å; I560-L577 VanDerWaalsContact CD1-CD2 3.49Å; I560-L577 HydrophobicContact CD1-CG 3.63Å; I560-I590 HydrophobicContact CD1-CG2 3.97Å; I560-I590 HydrophobicContact CG1-CG2 4.34Å; I560-L591 PolarHBondContact N-O 3.38Å; I560-I592 CarbonylContact O-C 3.1Å; I560-I592 WeakPolarHBondContact O-CA 3.24Å; I560-L593 PolarHBondContact O-N 2.78Å
561	V	93.9	Very high	87	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.4	-177.8	-171.1	0	0	0	0	110.3	F487 V488 V493 K495 I498 I559 L593 N595	F487-V561 HydrophobicContact CD1-CG2 3.85Å; F487-V561 HydrophobicContact CE1-CG2 4.24Å; V488-V561 PolarHBondContact O-N 2.64Å; V493-V561 HydrophobicContact CB-CG1 4.3Å; V493-V561 HydrophobicContact CG2-CB 3.93Å; V493-V561 HydrophobicContact CG2-CG1 3.83Å; K495-V561 HydrophobicContact CG-CB 3.9Å; K495-V561 HydrophobicContact CG-CG1 4.49Å; K495-V561 HydrophobicContact CG-CG2 3.92Å; I498-V561 HydrophobicContact CD1-CG1 3.7Å; I498-V561 HydrophobicContact CD1-CG2 4.12Å; I559-V561 HydrophobicContact CG2-CG2 3.91Å; V561-L593 WeakPolarHBondContact CA-O 3.49Å; V561-L593 HydrophobicContact CG2-CB 4.35Å; V561-L593 HydrophobicContact CG2-CD1 4.44Å; V561-N595 HydrophobicContact CG1-CB 3.9Å
562	F	94.1	Very high	87.7	Confident	1 Å²	1	42.8 Å²	42.8	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	171	166.7	74.5	-84.7	0	0	0	110.8	F570 V573 I592 L593 E594 N595 I614	F562-F570 HydrophobicContact CD1-CD2 4.47Å; F562-F570 HydrophobicContact CD2-CB 3.94Å; F562-F570 HydrophobicContact CD2-CD2 4.05Å; F562-F570 HydrophobicContact CD2-CG 4.5Å; F562-F570 HydrophobicContact CE1-CD2 4.23Å; F562-F570 HydrophobicContact CE2-CB 4.31Å; F562-F570 AromaticContact CE2-CD2 3.8Å; F562-F570 HydrophobicContact CE2-CD2 3.8Å; F562-F570 HydrophobicContact CE2-CG 4.48Å; F562-F570 HydrophobicContact CG-CB 4.47Å; F562-F570 HydrophobicContact CG-CD2 4.37Å; F562-F570 AromaticContact CZ-CD2 3.89Å; F562-F570 HydrophobicContact CZ-CD2 3.89Å; F562-F570 HydrophobicContact CZ-CE2 4.41Å; F562-V573 HydrophobicContact CB-CG2 3.63Å; F562-V573 HydrophobicContact CD1-CG2 3.88Å; F562-V573 HydrophobicContact CG-CG2 3.97Å; F562-I592 HydrophobicContact CD1-CG2 3.84Å; F562-I592 HydrophobicContact CE1-CG2 3.67Å; F562-L593 PolarHBondContact N-O 3.39Å; F562-E594 HydrophobicContact CD2-CG 4.49Å; F562-E594 HydrophobicContact CE1-CB 3.72Å; F562-E594 HydrophobicContact CE1-CG 4.32Å; F562-E594 HydrophobicContact CE2-CB 3.98Å; F562-E594 HydrophobicContact CE2-CG 3.63Å; F562-E594 HydrophobicContact CZ-CB 3.41Å; F562-E594 VanDerWaalsContact CZ-CB 3.41Å; F562-E594 HydrophobicContact CZ-CG 3.54Å; F562-N595 WeakPolarHBondContact O-CB 3.1Å; F562-N595 PolarHBondContact O-N 3.48Å; F562-I614 HydrophobicContact CE2-CD1 4.47Å; F562-I614 HydrophobicContact CZ-CD1 3.97Å; F562-I614 HydrophobicContact CZ-CG1 4.24Å
563	D	93.1	Very high	88.6	Confident	11 Å²	11	42.7 Å²	42.7	6%	0.059	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.3	-178	176.8	-12.1	0	0	0	109.6	V493 T565 N566 S569 K596	V493-D563 HydrophobicContact CB-CB 4.36Å; V493-D563 HydrophobicContact CG1-CB 4.3Å; D563-T565 PolarHBondContact O-N 3.29Å; D563-T565 VanDerWaalsContact O-N 3.1Å; D563-T565 WeakPolarHBondContact OD1-CB 3.2Å; D563-T565 PolarHBondContact OD1-N 3.13Å; D563-T565 PolarHBondContact OD1-OG1 3.49Å; D563-T565 PolarHBondContact OD2-OG1 2.87Å; D563-N566 HydrophobicContact CB-CB 4.1Å; D563-N566 PolarHBondContact O-N 3.28Å; D563-S569 PolarHBondContact N-OG 3.48Å; D563-S569 PolarHBondContact O-OG 2.93Å; D563-K596 WeakPolarHBondContact OD2-CD 3.36Å; D563-K596 VanDerWaalsContact OD2-CE 3.26Å; D563-K596 WeakPolarHBondContact OD2-CE 3.37Å; D563-K596 IonicContact OD2-NZ 3.48Å; D563-K596 PolarHBondContact OD2-NZ 2.97Å
564	A	92.1	Very high	89.5	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.008	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.5	-178.9	0	0	0	0	0	113.7	E594 N595 I600 A608	A564-E594 HydrophobicContact CB-CG 3.68Å; A564-E594 WeakPolarHBondContact CB-OE1 3.12Å; A564-N595 WeakPolarHBondContact CB-O 3.11Å; A564-N595 PolarHBondContact N-O 2.95Å; A564-I600 HydrophobicContact CB-CD1 3.65Å; A564-I600 HydrophobicContact CB-CG1 4.04Å; A564-A608 WeakPolarHBondContact O-CB 3.42Å; A564-A608 PolarHBondContact O-N 3.24Å
565	T	89.6	Confident	90.2	Very high	55 Å²	55	35.5 Å²	35.5	34%	0.337	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.9	-179.5	67.7	0	0	0	0	113.5	D563 L599	D563-T565 PolarHBondContact O-N 3.29Å; D563-T565 VanDerWaalsContact O-N 3.1Å; D563-T565 WeakPolarHBondContact OD1-CB 3.2Å; D563-T565 PolarHBondContact OD1-N 3.13Å; D563-T565 PolarHBondContact OD1-OG1 3.49Å; D563-T565 PolarHBondContact OD2-OG1 2.87Å; T565-L599 HydrophobicContact CG2-CB 3.66Å; T565-L599 HydrophobicContact CG2-CD1 3.88Å; T565-L599 HydrophobicContact CG2-CG 4.42Å
566	N	89.1	Confident	90.3	Very high	63 Å²	63	35.5 Å²	35.5	34%	0.337	19%	0.185	S	C	.	.			trans	-132.3	101.1	-173.3	-178.2	5.2	0	0	0	113	D563 S568 S569	D563-N566 HydrophobicContact CB-CB 4.1Å; D563-N566 PolarHBondContact O-N 3.28Å; N566-S568 VanDerWaalsContact C-N 3.26Å; N566-S568 PolarHBondContact ND2-OG 2.81Å; N566-S568 PolarHBondContact O-N 2.75Å; N566-S568 WeakPolarHBondContact OD1-CB 3.37Å; N566-S568 PolarHBondContact OD1-N 2.64Å; N566-S568 VanDerWaalsContact OD1-N 3.13Å; N566-S568 PolarHBondContact OD1-OG 3.08Å; N566-S569 WeakPolarHBondContact O-CB 3.36Å; N566-S569 PolarHBondContact O-N 3.38Å; N566-S569 VanDerWaalsContact O-N 3.1Å; N566-S569 PolarHBondContact O-OG 3.18Å
567	E	89.9	Confident	90.2	Very high	114 Å²	114	32.3 Å²	32.3	53%	0.533	17%	0.168	S	C	.	.	H	α-helix	trans	-55.1	-38.2	179.2	-168.2	-179.8	-176.1	0	0	112.7	S569 F570 L571 A608 V609	E567-S569 VanDerWaalsContact C-N 3.26Å; E567-S569 PolarHBondContact O-N 3.04Å; E567-F570 WeakPolarHBondContact O-CB 3.23Å; E567-F570 PolarHBondContact O-N 3.06Å; E567-L571 HydrophobicContact CG-CD1 4.4Å; E567-L571 HydrophobicContact CG-CG 4.43Å; E567-L571 WeakPolarHBondContact O-CG 3.41Å; E567-L571 PolarHBondContact O-N 3.31Å; E567-A608 HydrophobicContact CB-CB 4Å; E567-A608 VanDerWaalsContact N-CB 3.3Å; E567-V609 HydrophobicContact CG-CG2 4.3Å
568	S	89.5	Confident	89.9	Confident	67 Å²	67	36.8 Å²	36.8	47%	0.469	19%	0.189	S	C	.	.	H	α-helix	trans	-61	-36.6	-179.2	68.6	0	0	0	0	112.3	N566 F570 L571 A572	N566-S568 VanDerWaalsContact C-N 3.26Å; N566-S568 PolarHBondContact ND2-OG 2.81Å; N566-S568 PolarHBondContact O-N 2.75Å; N566-S568 WeakPolarHBondContact OD1-CB 3.37Å; N566-S568 PolarHBondContact OD1-N 2.64Å; N566-S568 VanDerWaalsContact OD1-N 3.13Å; N566-S568 PolarHBondContact OD1-OG 3.08Å; S568-F570 VanDerWaalsContact C-N 3.32Å; S568-F570 PolarHBondContact O-N 3.24Å; S568-L571 PolarHBondContact O-N 3.13Å; S568-A572 PolarHBondContact O-N 3.5Å; S568-A572 VanDerWaalsContact O-N 3.08Å
569	S	90	Very high	89.5	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-67.7	-33.4	177.2	77.3	0	0	0	0	112.3	D563 N566 E567 V573	D563-S569 PolarHBondContact N-OG 3.48Å; D563-S569 PolarHBondContact O-OG 2.93Å; N566-S569 WeakPolarHBondContact O-CB 3.36Å; N566-S569 PolarHBondContact O-N 3.38Å; N566-S569 VanDerWaalsContact O-N 3.1Å; N566-S569 PolarHBondContact O-OG 3.18Å; E567-S569 VanDerWaalsContact C-N 3.26Å; E567-S569 PolarHBondContact O-N 3.04Å; S569-V573 PolarHBondContact O-N 2.96Å
570	F	90.8	Very high	89	Confident	13 Å²	13	37.9 Å²	37.9	6%	0.057	20%	0.197	C	C	.	.	H	α-helix	trans	-73.5	-40.4	174.2	175.9	-98.7	0	0	0	112.2	F562 E567 S568 A572 V573 V609 T613 I614 I617	F562-F570 HydrophobicContact CD1-CD2 4.47Å; F562-F570 HydrophobicContact CD2-CB 3.94Å; F562-F570 HydrophobicContact CD2-CD2 4.05Å; F562-F570 HydrophobicContact CD2-CG 4.5Å; F562-F570 HydrophobicContact CE1-CD2 4.23Å; F562-F570 HydrophobicContact CE2-CB 4.31Å; F562-F570 AromaticContact CE2-CD2 3.8Å; F562-F570 HydrophobicContact CE2-CD2 3.8Å; F562-F570 HydrophobicContact CE2-CG 4.48Å; F562-F570 HydrophobicContact CG-CB 4.47Å; F562-F570 HydrophobicContact CG-CD2 4.37Å; F562-F570 AromaticContact CZ-CD2 3.89Å; F562-F570 HydrophobicContact CZ-CD2 3.89Å; F562-F570 HydrophobicContact CZ-CE2 4.41Å; E567-F570 WeakPolarHBondContact O-CB 3.23Å; E567-F570 PolarHBondContact O-N 3.06Å; S568-F570 VanDerWaalsContact C-N 3.32Å; S568-F570 PolarHBondContact O-N 3.24Å; F570-A572 PolarHBondContact O-N 3.36Å; F570-V573 VanDerWaalsContact O-CB 3.24Å; F570-V573 WeakPolarHBondContact O-CB 3.49Å; F570-V573 PolarHBondContact O-N 3.35Å; F570-V609 HydrophobicContact CB-CG2 3.67Å; F570-V609 HydrophobicContact CD1-CB 4.33Å; F570-V609 HydrophobicContact CD1-CG1 3.71Å; F570-V609 HydrophobicContact CD1-CG2 3.65Å; F570-V609 HydrophobicContact CD2-CG1 4.22Å; F570-V609 HydrophobicContact CD2-CG2 4.38Å; F570-V609 HydrophobicContact CE1-CG1 3.57Å; F570-V609 HydrophobicContact CE1-CG2 4.38Å; F570-V609 HydrophobicContact CE2-CG1 4.11Å; F570-V609 HydrophobicContact CG-CB 4.35Å; F570-V609 HydrophobicContact CG-CG1 4.03Å; F570-V609 HydrophobicContact CG-CG2 3.64Å; F570-V609 HydrophobicContact CZ-CG1 3.77Å; F570-T613 HydrophobicContact CE1-CG2 3.78Å; F570-T613 HydrophobicContact CZ-CG2 3.96Å; F570-I614 HydrophobicContact CD2-CG1 4.36Å; F570-I614 HydrophobicContact CE2-CB 4.39Å; F570-I614 HydrophobicContact CE2-CG1 3.69Å; F570-I614 HydrophobicContact CZ-CG1 4.17Å; F570-I617 HydrophobicContact CE1-CD1 3.93Å; F570-I617 HydrophobicContact CE2-CD1 3.89Å; F570-I617 HydrophobicContact CZ-CD1 3.34Å; F570-I617 HydrophobicContact CZ-CG1 4.16Å
571	L	89.4	Confident	88.6	Confident	114 Å²	114	41.4 Å²	41.4	60%	0.597	22%	0.218	S	C	*	.	H	α-helix	trans	-59.1	-36.1	173.7	-67.5	174.4	0	0	0	111.3	E567 S568 V573	E567-L571 HydrophobicContact CG-CD1 4.4Å; E567-L571 HydrophobicContact CG-CG 4.43Å; E567-L571 WeakPolarHBondContact O-CG 3.41Å; E567-L571 PolarHBondContact O-N 3.31Å; S568-L571 PolarHBondContact O-N 3.13Å; L571-V573 VanDerWaalsContact C-N 3.34Å; L571-V573 PolarHBondContact O-N 3.13Å
572	A	87.7	Confident	88	Confident	13 Å²	13	47.2 Å²	47.2	11%	0.107	25%	0.245	C	C	.	.	H	α-helix	trans	-66	-29.1	173.5	0	0	0	0	0	113.8	D490 S568 F570 R574 S575 W576	D490-A572 WeakPolarHBondContact OD2-CB 3.31Å; S568-A572 PolarHBondContact O-N 3.5Å; S568-A572 VanDerWaalsContact O-N 3.08Å; F570-A572 PolarHBondContact O-N 3.36Å; A572-R574 PolarHBondContact O-N 2.81Å; A572-R574 VanDerWaalsContact O-N 3.14Å; A572-S575 WeakPolarHBondContact O-CA 3.45Å; A572-S575 WeakPolarHBondContact O-CB 3.33Å; A572-S575 PolarHBondContact O-N 3.4Å; A572-W576 PolarHBondContact O-N 3.08Å
573	V	89.1	Confident	87.2	Confident	1 Å²	1	49 Å²	49	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-53	-36.8	177.9	173.5	0	0	0	0	111.7	I560 F562 S569 F570 L571 S575 W576 L577 I592	I560-V573 HydrophobicContact CG2-CG1 4.11Å; I560-V573 HydrophobicContact CG2-CG2 4.22Å; F562-V573 HydrophobicContact CB-CG2 3.63Å; F562-V573 HydrophobicContact CD1-CG2 3.88Å; F562-V573 HydrophobicContact CG-CG2 3.97Å; S569-V573 PolarHBondContact O-N 2.96Å; F570-V573 VanDerWaalsContact O-CB 3.24Å; F570-V573 WeakPolarHBondContact O-CB 3.49Å; F570-V573 PolarHBondContact O-N 3.35Å; L571-V573 VanDerWaalsContact C-N 3.34Å; L571-V573 PolarHBondContact O-N 3.13Å; V573-S575 PolarHBondContact O-N 2.76Å; V573-W576 PolarHBondContact O-N 3.41Å; V573-L577 HydrophobicContact CG1-CD1 3.79Å; V573-L577 HydrophobicContact CG1-CG 4.17Å; V573-L577 WeakPolarHBondContact O-CB 3.23Å; V573-L577 WeakPolarHBondContact O-CG 3.17Å; V573-L577 PolarHBondContact O-N 2.94Å; V573-I592 HydrophobicContact CG1-CD1 4.33Å
574	R	87.1	Confident	86.5	Confident	168 Å²	168	49.5 Å²	49.5	63%	0.634	26%	0.257	S	S	*	.	H	α-helix	trans	-64.2	-40.1	176.3	-175.1	177.9	175.7	-178.4	-1.9	112.6	A572 Q578	A572-R574 PolarHBondContact O-N 2.81Å; A572-R574 VanDerWaalsContact O-N 3.14Å; R574-Q578 WeakPolarHBondContact O-CB 3.29Å; R574-Q578 PolarHBondContact O-N 3.44Å
575	S	86.4	Confident	85.6	Confident	47 Å²	47	54.7 Å²	54.7	33%	0.329	29%	0.285	S	S	.	.	H	α-helix	trans	-68.9	-38.2	175.6	179.7	0	0	0	0	111.4	A572 V573 S579	A572-S575 WeakPolarHBondContact O-CA 3.45Å; A572-S575 WeakPolarHBondContact O-CB 3.33Å; A572-S575 PolarHBondContact O-N 3.4Å; V573-S575 PolarHBondContact O-N 2.76Å; S575-S579 WeakPolarHBondContact O-CB 3.48Å; S575-S579 PolarHBondContact O-N 2.96Å; S575-S579 VanDerWaalsContact O-N 3.08Å; S575-S579 PolarHBondContact O-OG 3.48Å
576	W	86.9	Confident	85	Confident	5 Å²	5	61.2 Å²	61.2	2%	0.019	31%	0.312	C	S	.	.	H	α-helix	trans	-66.3	-47.8	174.8	-69.2	115.1	0	0	0	111.6	V488 D490 R545 I560 A572 V573 Q578 S579 V580	V488-W576 HydrophobicContact CB-CE3 4.15Å; V488-W576 HydrophobicContact CB-CZ3 4.37Å; V488-W576 HydrophobicContact CG2-CE3 4.47Å; D490-W576 PolarHBondContact OD1-NE1 2.97Å; R545-W576 HydrophobicContact CG-CH2 3.57Å; R545-W576 HydrophobicContact CG-CZ2 4.35Å; R545-W576 HydrophobicContact CG-CZ3 3.94Å; I560-W576 HydrophobicContact CD1-CB 4.45Å; I560-W576 HydrophobicContact CG2-CB 4.01Å; A572-W576 PolarHBondContact O-N 3.08Å; V573-W576 PolarHBondContact O-N 3.41Å; W576-Q578 PolarHBondContact O-N 3.37Å; W576-S579 PolarHBondContact O-N 3.43Å; W576-V580 VanDerWaalsContact O-CG2 3.27Å; W576-V580 WeakPolarHBondContact O-CG2 3.12Å; W576-V580 PolarHBondContact O-N 2.97Å
577	L	87.2	Confident	84.4	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-54.3	-50.9	174.8	-81.9	166.5	0	0	0	111.7	I560 V573 S579 V580 T581 I590 I592 I617 Y621 T623	I560-L577 HydrophobicContact CD1-CB 4.4Å; I560-L577 HydrophobicContact CD1-CD2 3.49Å; I560-L577 VanDerWaalsContact CD1-CD2 3.49Å; I560-L577 HydrophobicContact CD1-CG 3.63Å; V573-L577 HydrophobicContact CG1-CD1 3.79Å; V573-L577 HydrophobicContact CG1-CG 4.17Å; V573-L577 WeakPolarHBondContact O-CB 3.23Å; V573-L577 WeakPolarHBondContact O-CG 3.17Å; V573-L577 PolarHBondContact O-N 2.94Å; L577-S579 PolarHBondContact O-N 3.45Å; L577-V580 PolarHBondContact O-N 2.83Å; L577-T581 WeakPolarHBondContact O-CG2 3.12Å; L577-T581 PolarHBondContact O-N 3.1Å; L577-T581 PolarHBondContact O-OG1 2.74Å; L577-T581 VanDerWaalsContact O-OG1 3.06Å; L577-I590 HydrophobicContact CD2-CG2 4Å; L577-I592 HydrophobicContact CD1-CD1 4.26Å; L577-I592 HydrophobicContact CD2-CD1 4.5Å; L577-I617 HydrophobicContact CD1-CG2 3.43Å; L577-I617 VanDerWaalsContact CD1-CG2 3.43Å; L577-Y621 HydrophobicContact CB-CD1 4.27Å; L577-Y621 HydrophobicContact CB-CE1 4.06Å; L577-Y621 HydrophobicContact CD1-CD1 4.49Å; L577-Y621 HydrophobicContact CD1-CD2 3.79Å; L577-Y621 HydrophobicContact CD1-CE2 4.02Å; L577-Y621 HydrophobicContact CD1-CG 4.05Å; L577-Y621 HydrophobicContact CD2-CD1 4.37Å; L577-Y621 HydrophobicContact CD2-CG 4.29Å; L577-T623 HydrophobicContact CD2-CG2 4.12Å
578	Q	85.2	Confident	84.3	Confident	95 Å²	95	56.9 Å²	56.9	44%	0.444	29%	0.292	S	S	.	.	H	α-helix	trans	-57.8	-48	177.7	-178.3	173.6	-8.1	0	0	111.7	R574 W576 V580 T581 E582	R574-Q578 WeakPolarHBondContact O-CB 3.29Å; R574-Q578 PolarHBondContact O-N 3.44Å; W576-Q578 PolarHBondContact O-N 3.37Å; Q578-V580 VanDerWaalsContact C-N 3.33Å; Q578-V580 PolarHBondContact O-N 2.83Å; Q578-T581 WeakPolarHBondContact CA-OG1 3.47Å; Q578-T581 PolarHBondContact O-N 3.07Å; Q578-T581 PolarHBondContact O-OG1 3.27Å; Q578-E582 HydrophobicContact CG-CG 4.48Å; Q578-E582 WeakPolarHBondContact CG-OE1 3.4Å; Q578-E582 PolarHBondContact NE2-OE1 3.47Å; Q578-E582 WeakPolarHBondContact O-CG 3.25Å; Q578-E582 PolarHBondContact O-N 2.94Å
579	S	83.2	Confident	84.3	Confident	23 Å²	23	54 Å²	54	16%	0.161	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-41.9	179.2	-50.7	0	0	0	0	111.8	S575 W576 L577 E582 E583	S575-S579 WeakPolarHBondContact O-CB 3.48Å; S575-S579 PolarHBondContact O-N 2.96Å; S575-S579 VanDerWaalsContact O-N 3.08Å; S575-S579 PolarHBondContact O-OG 3.48Å; W576-S579 PolarHBondContact O-N 3.43Å; L577-S579 PolarHBondContact O-N 3.45Å; S579-E582 PolarHBondContact O-N 2.91Å; S579-E583 VanDerWaalsContact O-CB 3.24Å; S579-E583 WeakPolarHBondContact O-CB 3.27Å; S579-E583 WeakPolarHBondContact O-CG 3.27Å; S579-E583 PolarHBondContact O-N 2.92Å; S579-E583 VanDerWaalsContact O-N 3.13Å
580	V	83.5	Confident	84.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-44.9	177.1	173	0	0	0	0	110.9	V488 Y552 V558 W576 L577 Q578 E582 E583 T584 I590	V488-V580 HydrophobicContact CG2-CG2 4.5Å; Y552-V580 HydrophobicContact CE1-CG2 3.95Å; V558-V580 HydrophobicContact CB-CG1 4.17Å; V558-V580 HydrophobicContact CG1-CG1 4.22Å; V558-V580 HydrophobicContact CG1-CG2 3.87Å; V558-V580 HydrophobicContact CG2-CG1 4.09Å; W576-V580 VanDerWaalsContact O-CG2 3.27Å; W576-V580 WeakPolarHBondContact O-CG2 3.12Å; W576-V580 PolarHBondContact O-N 2.97Å; L577-V580 PolarHBondContact O-N 2.83Å; Q578-V580 VanDerWaalsContact C-N 3.33Å; Q578-V580 PolarHBondContact O-N 2.83Å; V580-E582 VanDerWaalsContact C-N 3.26Å; V580-E582 PolarHBondContact O-N 3.33Å; V580-E583 PolarHBondContact O-N 3.45Å; V580-T584 HydrophobicContact CG1-CG2 3.9Å; V580-T584 WeakPolarHBondContact O-CB 3.24Å; V580-T584 PolarHBondContact O-N 3.49Å; V580-T584 PolarHBondContact O-OG1 2.9Å; V580-I590 HydrophobicContact CG1-CD1 3.63Å; V580-I590 HydrophobicContact CG1-CG1 3.99Å
581	T	82.8	Confident	84.6	Confident	74 Å²	74	54.7 Å²	54.7	45%	0.454	28%	0.276	S	S	.	.	H	α-helix	trans	-67.4	-22.4	178.1	51.9	0	0	0	0	114.2	L577 Q578 I590 Y621	L577-T581 WeakPolarHBondContact O-CG2 3.12Å; L577-T581 PolarHBondContact O-N 3.1Å; L577-T581 PolarHBondContact O-OG1 2.74Å; L577-T581 VanDerWaalsContact O-OG1 3.06Å; Q578-T581 WeakPolarHBondContact CA-OG1 3.47Å; Q578-T581 PolarHBondContact O-N 3.07Å; Q578-T581 PolarHBondContact O-OG1 3.27Å; T581-I590 HydrophobicContact CG2-CD1 4.29Å; T581-Y621 HydrophobicContact CG2-CD1 4.47Å
582	E	82.4	Confident	84.8	Confident	124 Å²	124	49.4 Å²	49.4	58%	0.579	25%	0.248	S	C	*	.	H	α-helix	trans	-87	-21.6	175.3	-72.6	174.4	-166	0	0	113.1	Q578 S579 V580	Q578-E582 HydrophobicContact CG-CG 4.48Å; Q578-E582 WeakPolarHBondContact CG-OE1 3.4Å; Q578-E582 PolarHBondContact NE2-OE1 3.47Å; Q578-E582 WeakPolarHBondContact O-CG 3.25Å; Q578-E582 PolarHBondContact O-N 2.94Å; S579-E582 PolarHBondContact O-N 2.91Å; V580-E582 VanDerWaalsContact C-N 3.26Å; V580-E582 PolarHBondContact O-N 3.33Å
583	E	77.1	Confident	85.2	Confident	37 Å²	37	49 Å²	49	17%	0.173	24%	0.244	C	C	.	.	H	α-helix	trans	-118.6	-11.4	-167.2	-63.1	173.5	-150.3	0	0	114.9	R549 Y552 S579 V580	R549-E583 VanDerWaalsContact CA-OE2 3.27Å; R549-E583 WeakPolarHBondContact CA-OE2 3.5Å; R549-E583 WeakPolarHBondContact CB-OE2 3.42Å; R549-E583 WeakPolarHBondContact CG-OE2 3.42Å; R549-E583 IonicContact CZ-OE1 3.66Å; R549-E583 VanDerWaalsContact NE-CD 3.31Å; R549-E583 IonicContact NE-OE1 3.95Å; R549-E583 PolarHBondContact NE-OE1 3.27Å; R549-E583 IonicContact NE-OE2 3.35Å; R549-E583 PolarHBondContact NE-OE2 2.89Å; R549-E583 IonicContact NH2-OE1 2.87Å; R549-E583 PolarHBondContact NH2-OE1 3.45Å; Y552-E583 HydrophobicContact CD2-CB 3.81Å; Y552-E583 VanDerWaalsContact CD2-OE2 3.24Å; Y552-E583 WeakPolarHBondContact CD2-OE2 3.37Å; Y552-E583 WeakPolarHBondContact CE2-OE2 3.38Å; Y552-E583 HydrophobicContact CG-CB 4.49Å; S579-E583 VanDerWaalsContact O-CB 3.24Å; S579-E583 WeakPolarHBondContact O-CB 3.27Å; S579-E583 WeakPolarHBondContact O-CG 3.27Å; S579-E583 PolarHBondContact O-N 2.92Å; S579-E583 VanDerWaalsContact O-N 3.13Å; V580-E583 PolarHBondContact O-N 3.45Å
584	T	77	Confident	85.5	Confident	23 Å²	23	49 Å²	49	14%	0.141	24%	0.244	C	C	.	.	S	Bend	trans	-108.9	157.4	176.2	64.9	0	0	0	0	112.5	Y552 V558 V580 T588	Y552-T584 HydrophobicContact CD1-CG2 4.1Å; Y552-T584 HydrophobicContact CG-CG2 4.06Å; V558-T584 HydrophobicContact CG2-CG2 4.24Å; V580-T584 HydrophobicContact CG1-CG2 3.9Å; V580-T584 WeakPolarHBondContact O-CB 3.24Å; V580-T584 PolarHBondContact O-N 3.49Å; V580-T584 PolarHBondContact O-OG1 2.9Å; T584-T588 WeakPolarHBondContact CB-OG1 3.27Å; T584-T588 HydrophobicContact CG2-CG2 4.19Å
585	D	74.8	Confident	85.8	Confident	110 Å²	110	41.2 Å²	41.2	59%	0.588	22%	0.215	S	C	*	.			trans	-70.3	150.4	174.7	-58	-61.1	0	0	0	110.8	N587 T588	D585-N587 PolarHBondContact O-N 2.91Å; D585-T588 VanDerWaalsContact O-CB 3.31Å; D585-T588 WeakPolarHBondContact O-CB 3.48Å; D585-T588 PolarHBondContact O-N 3.22Å; D585-T588 PolarHBondContact O-OG1 3.38Å
586	E	75.5	Confident	86.1	Confident	192 Å²	192	41.5 Å²	41.5	90%	0.897	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.3	-178.3	-61.8	-174.7	169.2	0	0	113.5	T588 K650	E586-T588 VanDerWaalsContact C-N 3.3Å; E586-T588 PolarHBondContact O-N 2.84Å; E586-K650 PolarHBondContact O-NZ 3.46Å; E586-K650 VanDerWaalsContact O-NZ 3.13Å
587	N	78.1	Confident	86.2	Confident	74 Å²	74	42 Å²	42	40%	0.396	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-3.5	178.9	-63.4	-16.7	0	0	0	113.7	D585 K650 E654	D585-N587 PolarHBondContact O-N 2.91Å; N587-K650 WeakPolarHBondContact O-CD 3.33Å; N587-K650 WeakPolarHBondContact O-CE 3.46Å; N587-K650 PolarHBondContact O-NZ 3.29Å; N587-E654 WeakPolarHBondContact CB-OE1 3.24Å; N587-E654 VanDerWaalsContact CG-OE1 3.23Å; N587-E654 PolarHBondContact ND2-OE1 3.09Å
588	T	86.1	Confident	86.3	Confident	11 Å²	11	44.2 Å²	44.2	7%	0.067	23%	0.226	C	C	.	.			trans	-65.6	136.3	176.4	-50.6	0	0	0	0	112.1	S555 D556 V558 T584 D585 E586 K650	S555-T588 WeakPolarHBondContact O-CG2 3.49Å; S555-T588 PolarHBondContact O-OG1 2.9Å; D556-T588 WeakPolarHBondContact O-CA 3.41Å; V558-T588 HydrophobicContact CG2-CG2 3.91Å; T584-T588 WeakPolarHBondContact CB-OG1 3.27Å; T584-T588 HydrophobicContact CG2-CG2 4.19Å; D585-T588 VanDerWaalsContact O-CB 3.31Å; D585-T588 WeakPolarHBondContact O-CB 3.48Å; D585-T588 PolarHBondContact O-N 3.22Å; D585-T588 PolarHBondContact O-OG1 3.38Å; E586-T588 VanDerWaalsContact C-N 3.3Å; E586-T588 PolarHBondContact O-N 2.84Å; T588-K650 PolarHBondContact O-NZ 3.03Å
589	V	90.7	Very high	86.4	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.5	176.2	177.2	0	0	0	0	110	D556 G557 V558 M643 K646 L647 K650	D556-V589 PolarHBondContact O-N 3.22Å; G557-V589 CarbonylContact C-O 3.52Å; G557-V589 VanDerWaalsContact CA-O 3.28Å; G557-V589 WeakPolarHBondContact CA-O 3.49Å; V558-V589 PolarHBondContact N-O 3.46Å; V589-M643 HydrophobicContact CG1-CE 4.35Å; V589-M643 HydrophobicContact CG1-CG 4.14Å; V589-M643 VanDerWaalsContact O-CE 3.26Å; V589-M643 WeakPolarHBondContact O-CE 3.39Å; V589-K646 HydrophobicContact CG1-CB 3.78Å; V589-K646 HydrophobicContact CG1-CD 4.09Å; V589-K646 HydrophobicContact CG2-CB 4.16Å; V589-L647 HydrophobicContact CB-CD2 3.87Å; V589-L647 HydrophobicContact CB-CG 4.22Å; V589-L647 HydrophobicContact CG2-CD2 3.67Å; V589-L647 HydrophobicContact CG2-CG 4.01Å; V589-K650 HydrophobicContact CG2-CD 3.81Å; V589-K650 HydrophobicContact CG2-CG 4.34Å
590	I	91.6	Very high	86.4	Confident	29 Å²	29	43.2 Å²	43.2	15%	0.149	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.8	179.3	-53.9	174.3	0	0	0	110.4	V558 I560 L577 V580 T581 T623	V558-I590 WeakPolarHBondContact O-CA 3.07Å; I560-I590 HydrophobicContact CD1-CG2 3.97Å; I560-I590 HydrophobicContact CG1-CG2 4.34Å; L577-I590 HydrophobicContact CD2-CG2 4Å; V580-I590 HydrophobicContact CG1-CD1 3.63Å; V580-I590 HydrophobicContact CG1-CG1 3.99Å; T581-I590 HydrophobicContact CG2-CD1 4.29Å; I590-T623 HydrophobicContact CB-CG2 3.91Å; I590-T623 HydrophobicContact CG2-CG2 3.73Å
591	L	94.2	Very high	85.9	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	143.4	175.8	-169.2	69.8	0	0	0	109.7	V558 I559 I560 L593 T624 F626 A639 M643	V558-L591 PolarHBondContact O-N 2.97Å; I559-L591 WeakPolarHBondContact CA-O 3.46Å; I559-L591 HydrophobicContact CD1-CD2 4.33Å; I559-L591 HydrophobicContact CG1-CB 4.21Å; I559-L591 HydrophobicContact CG1-CD2 4.22Å; I560-L591 PolarHBondContact N-O 3.38Å; L591-L593 HydrophobicContact CD2-CD2 3.95Å; L591-L593 HydrophobicContact CG-CD2 4.23Å; L591-T624 VanDerWaalsContact CD1-OG1 3.26Å; L591-T624 WeakPolarHBondContact CD1-OG1 3.4Å; L591-F626 HydrophobicContact CD1-CD2 3.75Å; L591-F626 HydrophobicContact CD1-CE2 3.76Å; L591-A639 HydrophobicContact CD2-CB 4.33Å; L591-M643 HydrophobicContact CB-CE 4.1Å; L591-M643 HydrophobicContact CD2-CB 4.22Å; L591-M643 HydrophobicContact CD2-CG 4.46Å; L591-M643 HydrophobicContact CD2-SD 4.36Å
592	I	94.7	Very high	85.1	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.7	173.5	-54.5	179.1	0	0	0	108.4	I560 F562 V573 L577 I617 T623 T624 C625 F626	I560-I592 CarbonylContact O-C 3.1Å; I560-I592 WeakPolarHBondContact O-CA 3.24Å; F562-I592 HydrophobicContact CD1-CG2 3.84Å; F562-I592 HydrophobicContact CE1-CG2 3.67Å; V573-I592 HydrophobicContact CG1-CD1 4.33Å; L577-I592 HydrophobicContact CD1-CD1 4.26Å; L577-I592 HydrophobicContact CD2-CD1 4.5Å; I592-I617 HydrophobicContact CD1-CG2 4.43Å; I592-T623 WeakPolarHBondContact CD1-OG1 3.42Å; I592-T624 PolarHBondContact N-O 3.37Å; I592-C625 HydrophobicContact CB-CB 4.24Å; I592-C625 VanDerWaalsContact O-CA 3.27Å; I592-C625 WeakPolarHBondContact O-CA 3.05Å; I592-F626 PolarHBondContact O-N 3.41Å
593	L	95.3	Very high	84.4	Confident	3 Å²	3	53 Å²	53	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.3	173.8	-58.9	-177.3	0	0	0	110	F487 I498 I559 I560 V561 F562 L591 N595 F626 V628 A639	F487-L593 HydrophobicContact CE1-CD1 4.42Å; I498-L593 HydrophobicContact CD1-CD1 4.09Å; I498-L593 HydrophobicContact CG2-CD1 4.32Å; I559-L593 HydrophobicContact CG2-CD1 3.47Å; I559-L593 VanDerWaalsContact CG2-CD1 3.47Å; I559-L593 HydrophobicContact CG2-CG 3.68Å; I560-L593 PolarHBondContact O-N 2.78Å; V561-L593 WeakPolarHBondContact CA-O 3.49Å; V561-L593 HydrophobicContact CG2-CB 4.35Å; V561-L593 HydrophobicContact CG2-CD1 4.44Å; F562-L593 PolarHBondContact N-O 3.39Å; L591-L593 HydrophobicContact CD2-CD2 3.95Å; L591-L593 HydrophobicContact CG-CD2 4.23Å; L593-N595 PolarHBondContact O-N 3.08Å; L593-F626 WeakPolarHBondContact CA-O 3.4Å; L593-F626 HydrophobicContact CD2-CB 3.92Å; L593-V628 HydrophobicContact CB-CG2 4Å; L593-V628 HydrophobicContact CD1-CG2 4.48Å; L593-V628 HydrophobicContact CD2-CG1 4.03Å; L593-A639 HydrophobicContact CD2-CB 3.77Å
594	E	95	Very high	84.1	Confident	3 Å²	3	53.6 Å²	53.6	1%	0.014	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	97.9	168	178.9	169.5	-167.6	0	0	107.8	F562 A564 R607 I614 F626 V628	F562-E594 HydrophobicContact CD2-CG 4.49Å; F562-E594 HydrophobicContact CE1-CB 3.72Å; F562-E594 HydrophobicContact CE1-CG 4.32Å; F562-E594 HydrophobicContact CE2-CB 3.98Å; F562-E594 HydrophobicContact CE2-CG 3.63Å; F562-E594 HydrophobicContact CZ-CB 3.41Å; F562-E594 VanDerWaalsContact CZ-CB 3.41Å; F562-E594 HydrophobicContact CZ-CG 3.54Å; A564-E594 HydrophobicContact CB-CG 3.68Å; A564-E594 WeakPolarHBondContact CB-OE1 3.12Å; E594-R607 IonicContact OE1-CZ 3.44Å; E594-R607 VanDerWaalsContact OE1-CZ 3.31Å; E594-R607 IonicContact OE1-NE 2.79Å; E594-R607 PolarHBondContact OE1-NE 2.89Å; E594-R607 IonicContact OE1-NH2 3.54Å; E594-R607 PolarHBondContact OE1-NH2 2.88Å; E594-R607 IonicContact OE2-CZ 3.31Å; E594-R607 IonicContact OE2-NE 2.82Å; E594-R607 IonicContact OE2-NH2 3.05Å; E594-R607 PolarHBondContact OE2-NH2 3.12Å; E594-I614 VanDerWaalsContact OE2-CD1 3.31Å; E594-I614 WeakPolarHBondContact OE2-CD1 3.32Å; E594-F626 PolarHBondContact N-O 3.15Å; E594-V628 PolarHBondContact O-N 3.21Å
595	N	94.6	Very high	83.6	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	163.6	-177	-167.8	28.1	0	0	0	112.3	V493 I498 V561 F562 A564 L593 V628 A630	V493-N595 PolarHBondContact O-ND2 3.24Å; I498-N595 HydrophobicContact CD1-CB 4.08Å; V561-N595 HydrophobicContact CG1-CB 3.9Å; F562-N595 WeakPolarHBondContact O-CB 3.1Å; F562-N595 PolarHBondContact O-N 3.48Å; A564-N595 WeakPolarHBondContact CB-O 3.11Å; A564-N595 PolarHBondContact N-O 2.95Å; L593-N595 PolarHBondContact O-N 3.08Å; N595-V628 CarbonylContact C-O 3.5Å; N595-V628 VanDerWaalsContact CA-O 3.29Å; N595-V628 WeakPolarHBondContact CA-O 3.34Å; N595-V628 HydrophobicContact CB-CG2 4.13Å; N595-V628 PolarHBondContact OD1-O 3.42Å; N595-A630 PolarHBondContact OD1-N 2.85Å; N595-A630 VanDerWaalsContact OD1-N 3.08Å
596	K	92	Very high	83.5	Confident	53 Å²	53	58.4 Å²	58.4	23%	0.23	29%	0.293	C	S	.	.			trans	68	34.8	-179.5	-45	-172.8	-165.9	167	0	113.4	G492 D563 D598 L599 V628	G492-K596 PolarHBondContact O-NZ 3.07Å; D563-K596 WeakPolarHBondContact OD2-CD 3.36Å; D563-K596 VanDerWaalsContact OD2-CE 3.26Å; D563-K596 WeakPolarHBondContact OD2-CE 3.37Å; D563-K596 IonicContact OD2-NZ 3.48Å; D563-K596 PolarHBondContact OD2-NZ 2.97Å; K596-D598 PolarHBondContact O-N 2.83Å; K596-D598 VanDerWaalsContact O-N 3.1Å; K596-L599 HydrophobicContact CB-CD1 4.05Å; K596-L599 HydrophobicContact CB-CG 4.32Å; K596-L599 HydrophobicContact CD-CD1 4.18Å; K596-L599 PolarHBondContact O-N 3.48Å; K596-V628 PolarHBondContact N-O 2.94Å
597	S	90.5	Very high	83.8	Confident	15 Å²	15	50.5 Å²	50.5	11%	0.105	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-56.2	-23.1	171.5	62.1	0	0	0	0	113.3	L599 I600 V628	S597-L599 PolarHBondContact O-N 3.26Å; S597-L599 VanDerWaalsContact O-N 3.16Å; S597-I600 PolarHBondContact O-N 3.4Å; S597-I600 VanDerWaalsContact O-N 3.09Å; S597-V628 PolarHBondContact N-O 3.13Å; S597-V628 VanDerWaalsContact N-O 3.15Å; S597-V628 VanDerWaalsContact OG-C 3.27Å; S597-V628 PolarHBondContact OG-O 3.42Å
598	D	89.1	Confident	84	Confident	47 Å²	47	48.6 Å²	48.6	25%	0.251	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-67.5	-6.7	174.1	68.5	-81.7	0	0	0	115.2	K596 S629 K631 T632	K596-D598 PolarHBondContact O-N 2.83Å; K596-D598 VanDerWaalsContact O-N 3.1Å; D598-S629 VanDerWaalsContact CG-OG 3.3Å; D598-S629 WeakPolarHBondContact OD1-CB 3.34Å; D598-S629 PolarHBondContact OD1-OG 2.83Å; D598-K631 HydrophobicContact CB-CD 4.5Å; D598-K631 WeakPolarHBondContact OD2-CD 3.32Å; D598-K631 IonicContact OD2-NZ 3.68Å; D598-K631 PolarHBondContact OD2-NZ 3.46Å; D598-T632 HydrophobicContact CB-CG2 4.1Å
599	L	86.4	Confident	84	Confident	68 Å²	68	48.7 Å²	48.7	36%	0.356	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-101.3	-3.7	173.8	-58	-178.7	0	0	0	112.9	T565 K596 S597 K606	T565-L599 HydrophobicContact CG2-CB 3.66Å; T565-L599 HydrophobicContact CG2-CD1 3.88Å; T565-L599 HydrophobicContact CG2-CG 4.42Å; K596-L599 HydrophobicContact CB-CD1 4.05Å; K596-L599 HydrophobicContact CB-CG 4.32Å; K596-L599 HydrophobicContact CD-CD1 4.18Å; K596-L599 PolarHBondContact O-N 3.48Å; S597-L599 PolarHBondContact O-N 3.26Å; S597-L599 VanDerWaalsContact O-N 3.16Å; L599-K606 WeakPolarHBondContact O-CD 3.41Å
600	I	82.6	Confident	83.8	Confident	30 Å²	30	51.7 Å²	51.7	15%	0.154	27%	0.271	C	S	.	.			trans	-91.6	113.5	177.1	-47.7	173.8	0	0	0	108	A564 S597 D604 R607	A564-I600 HydrophobicContact CB-CD1 3.65Å; A564-I600 HydrophobicContact CB-CG1 4.04Å; S597-I600 PolarHBondContact O-N 3.4Å; S597-I600 VanDerWaalsContact O-N 3.09Å; I600-D604 WeakPolarHBondContact CG2-OD1 3.24Å; I600-R607 HydrophobicContact CD1-CG 4.28Å; I600-R607 HydrophobicContact CG2-CB 4.32Å
601	D	73	Confident	83.5	Confident	77 Å²	77	55.7 Å²	55.7	41%	0.412	28%	0.284	S	S	.	.			trans	-74.8	161.3	171.6	-51.9	-40.6	0	0	0	110.2	N603 D604 K606	D601-N603 PolarHBondContact O-N 2.91Å; D601-D604 PolarHBondContact O-N 2.89Å; D601-K606 IonicContact OD1-NZ 3.76Å; D601-K606 PolarHBondContact OD1-NZ 3.06Å; D601-K606 WeakPolarHBondContact OD2-CD 3.4Å; D601-K606 WeakPolarHBondContact OD2-CE 3.36Å; D601-K606 IonicContact OD2-NZ 2.77Å; D601-K606 PolarHBondContact OD2-NZ 2.9Å
602	E	67	Low	83.3	Confident	200 Å²	200	58.4 Å²	58.4	94%	0.935	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.2	-173.9	-64.2	-171.5	154.8	0	0	115.3	D604	E602-D604 VanDerWaalsContact C-N 3.3Å; E602-D604 PolarHBondContact O-N 2.68Å
603	N	66.5	Low	83	Confident	125 Å²	125	60.6 Å²	60.6	67%	0.668	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.6	177.4	-66.5	-12.5	0	0	0	114.5	D601 D605	D601-N603 PolarHBondContact O-N 2.91Å; N603-D605 HydrophobicContact CB-CB 4.37Å; N603-D605 WeakPolarHBondContact CB-OD2 3.45Å; N603-D605 PolarHBondContact ND2-OD2 3.03Å; N603-D605 VanDerWaalsContact ND2-OD2 3.1Å; N603-D605 PolarHBondContact O-N 3.02Å; N603-D605 VanDerWaalsContact O-N 3.07Å
604	D	72.1	Confident	82.7	Confident	51 Å²	51	61 Å²	61	27%	0.273	32%	0.322	S	S	.	.			trans	59.5	6.3	-169	-91.4	-34.1	0	0	0	114.3	I600 D601 E602 K606 R607 R611	I600-D604 WeakPolarHBondContact CG2-OD1 3.24Å; D601-D604 PolarHBondContact O-N 2.89Å; E602-D604 VanDerWaalsContact C-N 3.3Å; E602-D604 PolarHBondContact O-N 2.68Å; D604-K606 VanDerWaalsContact C-N 3.27Å; D604-K606 PolarHBondContact O-N 2.79Å; D604-K606 VanDerWaalsContact O-N 3.1Å; D604-R607 HydrophobicContact CB-CB 4.47Å; D604-R607 WeakPolarHBondContact O-CB 3.36Å; D604-R607 PolarHBondContact O-N 2.95Å; D604-R607 WeakPolarHBondContact OD1-CD 3.29Å; D604-R607 IonicContact OD1-CZ 3.76Å; D604-R607 IonicContact OD1-NH1 3.57Å; D604-R607 PolarHBondContact OD1-NH1 3.07Å; D604-R607 IonicContact OD2-NH1 2.96Å; D604-R611 IonicContact OD1-CZ 3.37Å; D604-R611 IonicContact OD1-NE 3.38Å; D604-R611 IonicContact OD1-NH2 2.81Å; D604-R611 PolarHBondContact OD1-NH2 3.49Å; D604-R611 IonicContact OD2-CZ 3.58Å; D604-R611 IonicContact OD2-NE 3.04Å; D604-R611 PolarHBondContact OD2-NE 3.01Å; D604-R611 IonicContact OD2-NH2 3.64Å; D604-R611 PolarHBondContact OD2-NH2 3.41Å
605	D	66.5	Low	82.4	Confident	125 Å²	125	64.4 Å²	64.4	67%	0.668	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.7	-173.4	-75.5	-40	0	0	0	115.2	N603	N603-D605 HydrophobicContact CB-CB 4.37Å; N603-D605 WeakPolarHBondContact CB-OD2 3.45Å; N603-D605 PolarHBondContact ND2-OD2 3.03Å; N603-D605 VanDerWaalsContact ND2-OD2 3.1Å; N603-D605 PolarHBondContact O-N 3.02Å; N603-D605 VanDerWaalsContact O-N 3.07Å
606	K	71.3	Confident	82.2	Confident	109 Å²	109	70.6 Å²	70.6	47%	0.474	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-2.2	179.6	-70.7	170.3	-178.4	155.5	0	113.5	L599 D601 D604 A608	L599-K606 WeakPolarHBondContact O-CD 3.41Å; D601-K606 IonicContact OD1-NZ 3.76Å; D601-K606 PolarHBondContact OD1-NZ 3.06Å; D601-K606 WeakPolarHBondContact OD2-CD 3.4Å; D601-K606 WeakPolarHBondContact OD2-CE 3.36Å; D601-K606 IonicContact OD2-NZ 2.77Å; D601-K606 PolarHBondContact OD2-NZ 2.9Å; D604-K606 VanDerWaalsContact C-N 3.27Å; D604-K606 PolarHBondContact O-N 2.79Å; D604-K606 VanDerWaalsContact O-N 3.1Å; K606-A608 PolarHBondContact O-N 2.98Å
607	R	83.3	Confident	82	Confident	26 Å²	26	69.4 Å²	69.4	10%	0.098	36%	0.364	C	S	.	.			trans	-79.3	118.4	-176.6	-159.4	-177.4	-154.1	136.9	-7	109.7	E594 I600 D604 V609 R611 E627	E594-R607 IonicContact OE1-CZ 3.44Å; E594-R607 VanDerWaalsContact OE1-CZ 3.31Å; E594-R607 IonicContact OE1-NE 2.79Å; E594-R607 PolarHBondContact OE1-NE 2.89Å; E594-R607 IonicContact OE1-NH2 3.54Å; E594-R607 PolarHBondContact OE1-NH2 2.88Å; E594-R607 IonicContact OE2-CZ 3.31Å; E594-R607 IonicContact OE2-NE 2.82Å; E594-R607 IonicContact OE2-NH2 3.05Å; E594-R607 PolarHBondContact OE2-NH2 3.12Å; I600-R607 HydrophobicContact CD1-CG 4.28Å; I600-R607 HydrophobicContact CG2-CB 4.32Å; D604-R607 HydrophobicContact CB-CB 4.47Å; D604-R607 WeakPolarHBondContact O-CB 3.36Å; D604-R607 PolarHBondContact O-N 2.95Å; D604-R607 WeakPolarHBondContact OD1-CD 3.29Å; D604-R607 IonicContact OD1-CZ 3.76Å; D604-R607 IonicContact OD1-NH1 3.57Å; D604-R607 PolarHBondContact OD1-NH1 3.07Å; D604-R607 IonicContact OD2-NH1 2.96Å; R607-V609 VanDerWaalsContact CD-O 3.26Å; R607-V609 WeakPolarHBondContact CD-O 3.5Å; R607-V609 WeakPolarHBondContact CG-O 3.3Å; R607-V609 PolarHBondContact O-N 3.46Å; R607-R611 VanDerWaalsContact NH1-NE 3.15Å; R607-E627 IonicContact CZ-OE1 3.57Å; R607-E627 IonicContact NH1-OE1 3.06Å; R607-E627 PolarHBondContact NH1-OE1 3.4Å; R607-E627 IonicContact NH2-OE1 2.65Å; R607-E627 PolarHBondContact NH2-OE1 3.02Å; R607-E627 IonicContact NH2-OE2 3.26Å
608	A	82.4	Confident	82	Confident	34 Å²	34	69.9 Å²	69.9	28%	0.281	37%	0.365	S	S	.	.	S	Bend	trans	-71.7	-14	-175.6	0	0	0	0	0	113.5	A564 E567 K606	A564-A608 WeakPolarHBondContact O-CB 3.42Å; A564-A608 PolarHBondContact O-N 3.24Å; E567-A608 HydrophobicContact CB-CB 4Å; E567-A608 VanDerWaalsContact N-CB 3.3Å; K606-A608 PolarHBondContact O-N 2.98Å
609	V	85.1	Confident	82.1	Confident	13 Å²	13	76.6 Å²	76.6	8%	0.079	39%	0.387	C	S	.	.	S	Bend	trans	-141.2	129.6	-174.6	-176.2	0	0	0	0	110.2	E567 F570 R607 T613 I614	E567-V609 HydrophobicContact CG-CG2 4.3Å; F570-V609 HydrophobicContact CB-CG2 3.67Å; F570-V609 HydrophobicContact CD1-CB 4.33Å; F570-V609 HydrophobicContact CD1-CG1 3.71Å; F570-V609 HydrophobicContact CD1-CG2 3.65Å; F570-V609 HydrophobicContact CD2-CG1 4.22Å; F570-V609 HydrophobicContact CD2-CG2 4.38Å; F570-V609 HydrophobicContact CE1-CG1 3.57Å; F570-V609 HydrophobicContact CE1-CG2 4.38Å; F570-V609 HydrophobicContact CE2-CG1 4.11Å; F570-V609 HydrophobicContact CG-CB 4.35Å; F570-V609 HydrophobicContact CG-CG1 4.03Å; F570-V609 HydrophobicContact CG-CG2 3.64Å; F570-V609 HydrophobicContact CZ-CG1 3.77Å; R607-V609 VanDerWaalsContact CD-O 3.26Å; R607-V609 WeakPolarHBondContact CD-O 3.5Å; R607-V609 WeakPolarHBondContact CG-O 3.3Å; R607-V609 PolarHBondContact O-N 3.46Å; V609-T613 HydrophobicContact CG1-CG2 4.21Å; V609-I614 HydrophobicContact CG1-CD1 4.4Å; V609-I614 HydrophobicContact CG1-CG1 3.92Å
610	S	87.2	Confident	82.2	Confident	70 Å²	70	78.6 Å²	78.6	49%	0.49	40%	0.402	S	S	.	.			trans	-67.5	141	176.8	67.5	0	0	0	0	112.1	A612 T613 I614	S610-A612 PolarHBondContact O-N 3.35Å; S610-A612 VanDerWaalsContact O-N 3.12Å; S610-T613 WeakPolarHBondContact O-CA 3.39Å; S610-T613 WeakPolarHBondContact O-CB 2.96Å; S610-T613 PolarHBondContact O-N 3.18Å; S610-T613 PolarHBondContact OG-OG1 3.47Å; S610-I614 PolarHBondContact O-N 3.48Å
611	R	85.9	Confident	82.3	Confident	113 Å²	113	80.7 Å²	80.7	43%	0.426	41%	0.409	S	S	.	.	H	α-helix	trans	-50.9	-38.8	176.2	-56.3	-175.8	-161.7	-129.2	7.3	112.4	D604 R607 T613 I614 D615 E627	D604-R611 IonicContact OD1-CZ 3.37Å; D604-R611 IonicContact OD1-NE 3.38Å; D604-R611 IonicContact OD1-NH2 2.81Å; D604-R611 PolarHBondContact OD1-NH2 3.49Å; D604-R611 IonicContact OD2-CZ 3.58Å; D604-R611 IonicContact OD2-NE 3.04Å; D604-R611 PolarHBondContact OD2-NE 3.01Å; D604-R611 IonicContact OD2-NH2 3.64Å; D604-R611 PolarHBondContact OD2-NH2 3.41Å; R607-R611 VanDerWaalsContact NH1-NE 3.15Å; R611-T613 PolarHBondContact O-N 2.84Å; R611-I614 PolarHBondContact O-N 3.46Å; R611-I614 VanDerWaalsContact O-N 3.15Å; R611-D615 WeakPolarHBondContact O-CB 3.47Å; R611-D615 PolarHBondContact O-N 3.4Å; R611-E627 IonicContact CZ-OE1 2.72Å; R611-E627 IonicContact NH1-OE1 3.6Å; R611-E627 PolarHBondContact NH1-OE1 3.03Å; R611-E627 IonicContact NH1-OE2 2.83Å
612	A	88.3	Confident	82.9	Confident	58 Å²	58	86.1 Å²	86.1	48%	0.479	43%	0.429	S	S	.	.	H	α-helix	trans	-63.4	-19.3	176.2	0	0	0	0	0	114.8	S610 K616	S610-A612 PolarHBondContact O-N 3.35Å; S610-A612 VanDerWaalsContact O-N 3.12Å; A612-K616 WeakPolarHBondContact O-CD 3.12Å; A612-K616 WeakPolarHBondContact O-CE 3.5Å; A612-K616 VanDerWaalsContact O-CG 3.26Å; A612-K616 WeakPolarHBondContact O-CG 3.35Å
613	T	88.8	Confident	83.9	Confident	50 Å²	50	77.3 Å²	77.3	31%	0.307	39%	0.388	S	S	.	.	H	α-helix	trans	-85.8	-40	173.5	-52.9	0	0	0	0	111	F570 V609 S610 R611 K616 I617	F570-T613 HydrophobicContact CE1-CG2 3.78Å; F570-T613 HydrophobicContact CZ-CG2 3.96Å; V609-T613 HydrophobicContact CG1-CG2 4.21Å; S610-T613 WeakPolarHBondContact O-CA 3.39Å; S610-T613 WeakPolarHBondContact O-CB 2.96Å; S610-T613 PolarHBondContact O-N 3.18Å; S610-T613 PolarHBondContact OG-OG1 3.47Å; R611-T613 PolarHBondContact O-N 2.84Å; T613-K616 PolarHBondContact O-N 3.1Å; T613-I617 PolarHBondContact O-N 2.89Å
614	I	88.8	Confident	85.1	Confident	10 Å²	10	73 Å²	73	5%	0.051	37%	0.367	C	S	.	.	H	α-helix	trans	-60.2	-50.3	173.3	-60	165.7	0	0	0	109.5	F562 F570 E594 V609 S610 R611 K616 I617 V618 C625	F562-I614 HydrophobicContact CE2-CD1 4.47Å; F562-I614 HydrophobicContact CZ-CD1 3.97Å; F562-I614 HydrophobicContact CZ-CG1 4.24Å; F570-I614 HydrophobicContact CD2-CG1 4.36Å; F570-I614 HydrophobicContact CE2-CB 4.39Å; F570-I614 HydrophobicContact CE2-CG1 3.69Å; F570-I614 HydrophobicContact CZ-CG1 4.17Å; E594-I614 VanDerWaalsContact OE2-CD1 3.31Å; E594-I614 WeakPolarHBondContact OE2-CD1 3.32Å; V609-I614 HydrophobicContact CG1-CD1 4.4Å; V609-I614 HydrophobicContact CG1-CG1 3.92Å; S610-I614 PolarHBondContact O-N 3.48Å; R611-I614 PolarHBondContact O-N 3.46Å; R611-I614 VanDerWaalsContact O-N 3.15Å; I614-K616 PolarHBondContact O-N 3.13Å; I614-I617 PolarHBondContact O-N 3.4Å; I614-V618 HydrophobicContact CG2-CG2 4.23Å; I614-V618 WeakPolarHBondContact O-CG2 3.4Å; I614-V618 PolarHBondContact O-N 3.21Å; I614-C625 HydrophobicContact CG2-CB 4.18Å
615	D	89.9	Confident	86.1	Confident	75 Å²	75	72.4 Å²	72.4	40%	0.401	37%	0.366	S	S	.	.	H	α-helix	trans	-52.9	-37.3	175.8	-88.6	-0.2	0	0	0	113.7	R611 R619	R611-D615 WeakPolarHBondContact O-CB 3.47Å; R611-D615 PolarHBondContact O-N 3.4Å; D615-R619 WeakPolarHBondContact O-CB 3.3Å; D615-R619 WeakPolarHBondContact O-CG 3.41Å; D615-R619 PolarHBondContact O-N 2.8Å; D615-R619 IonicContact OD2-NH2 2.92Å
616	K	90	Very high	87.5	Confident	134 Å²	134	68.1 Å²	68.1	58%	0.583	34%	0.341	S	S	*	.	H	α-helix	trans	-65.1	-44.7	177.1	-74.4	165.2	-170.3	171	0	111.1	A612 T613 I614 R619 V620	A612-K616 WeakPolarHBondContact O-CD 3.12Å; A612-K616 WeakPolarHBondContact O-CE 3.5Å; A612-K616 VanDerWaalsContact O-CG 3.26Å; A612-K616 WeakPolarHBondContact O-CG 3.35Å; T613-K616 PolarHBondContact O-N 3.1Å; I614-K616 PolarHBondContact O-N 3.13Å; K616-R619 PolarHBondContact O-N 3.03Å; K616-V620 WeakPolarHBondContact O-CB 3.37Å; K616-V620 WeakPolarHBondContact O-CG2 3.37Å; K616-V620 PolarHBondContact O-N 3.46Å
617	I	88	Confident	88.5	Confident	28 Å²	28	66 Å²	66	14%	0.144	33%	0.333	C	S	.	.	H	α-helix	trans	-64.7	-46.2	177.3	-62.5	-170	0	0	0	110.2	F570 L577 I592 T613 I614 R619 V620 Y621	F570-I617 HydrophobicContact CE1-CD1 3.93Å; F570-I617 HydrophobicContact CE2-CD1 3.89Å; F570-I617 HydrophobicContact CZ-CD1 3.34Å; F570-I617 HydrophobicContact CZ-CG1 4.16Å; L577-I617 HydrophobicContact CD1-CG2 3.43Å; L577-I617 VanDerWaalsContact CD1-CG2 3.43Å; I592-I617 HydrophobicContact CD1-CG2 4.43Å; T613-I617 PolarHBondContact O-N 2.89Å; I614-I617 PolarHBondContact O-N 3.4Å; I617-R619 VanDerWaalsContact C-N 3.33Å; I617-R619 PolarHBondContact O-N 3.02Å; I617-V620 PolarHBondContact O-N 3.49Å; I617-Y621 HydrophobicContact CG2-CD2 3.89Å; I617-Y621 HydrophobicContact CG2-CE2 4.32Å; I617-Y621 WeakPolarHBondContact O-CD2 3.4Å; I617-Y621 PolarHBondContact O-N 3.22Å
618	V	90.3	Very high	89.1	Confident	24 Å²	24	64.8 Å²	64.8	15%	0.145	33%	0.329	C	S	.	.	H	α-helix	trans	-56.5	-45.3	178.4	173.9	0	0	0	0	111.5	I614 K622 T623 C625	I614-V618 HydrophobicContact CG2-CG2 4.23Å; I614-V618 WeakPolarHBondContact O-CG2 3.4Å; I614-V618 PolarHBondContact O-N 3.21Å; V618-K622 WeakPolarHBondContact O-CA 3.32Å; V618-K622 PolarHBondContact O-N 2.84Å; V618-T623 WeakPolarHBondContact CG1-O 3.27Å; V618-T623 PolarHBondContact O-N 3.38Å; V618-C625 HydrophobicContact CG2-CB 3.56Å
619	R	90.1	Very high	89.6	Confident	189 Å²	189	63.1 Å²	63.1	71%	0.713	32%	0.315	S	S	*	.	H	α-helix	trans	-68	-39.2	176.9	-70.1	172.4	-161.8	-171	8.6	113.3	D615 K616 I617	D615-R619 WeakPolarHBondContact O-CB 3.3Å; D615-R619 WeakPolarHBondContact O-CG 3.41Å; D615-R619 PolarHBondContact O-N 2.8Å; D615-R619 IonicContact OD2-NH2 2.92Å; K616-R619 PolarHBondContact O-N 3.03Å; I617-R619 VanDerWaalsContact C-N 3.33Å; I617-R619 PolarHBondContact O-N 3.02Å
620	V	88.7	Confident	90	Very high	110 Å²	110	62.7 Å²	62.7	67%	0.667	31%	0.313	S	S	*	.	H	α-helix	trans	-67.1	-44.5	-179.6	166.9	0	0	0	0	111.6	K616 I617	K616-V620 WeakPolarHBondContact O-CB 3.37Å; K616-V620 WeakPolarHBondContact O-CG2 3.37Å; K616-V620 PolarHBondContact O-N 3.46Å; I617-V620 PolarHBondContact O-N 3.49Å
621	Y	85.1	Confident	90.2	Very high	74 Å²	74	64.4 Å²	64.4	29%	0.29	31%	0.312	S	S	.	.	H	α-helix	trans	-94.8	1	-177.2	-69.8	-89.6	0	0	0	114.1	L577 T581 I617 T623	L577-Y621 HydrophobicContact CB-CD1 4.27Å; L577-Y621 HydrophobicContact CB-CE1 4.06Å; L577-Y621 HydrophobicContact CD1-CD1 4.49Å; L577-Y621 HydrophobicContact CD1-CD2 3.79Å; L577-Y621 HydrophobicContact CD1-CE2 4.02Å; L577-Y621 HydrophobicContact CD1-CG 4.05Å; L577-Y621 HydrophobicContact CD2-CD1 4.37Å; L577-Y621 HydrophobicContact CD2-CG 4.29Å; T581-Y621 HydrophobicContact CG2-CD1 4.47Å; I617-Y621 HydrophobicContact CG2-CD2 3.89Å; I617-Y621 HydrophobicContact CG2-CE2 4.32Å; I617-Y621 WeakPolarHBondContact O-CD2 3.4Å; I617-Y621 PolarHBondContact O-N 3.22Å; Y621-T623 PolarHBondContact O-N 3Å
622	K	86.8	Confident	90.4	Very high	191 Å²	191	62.9 Å²	62.9	83%	0.83	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	33.2	-177.3	-57.1	-179.7	-178.8	176.2	0	114.1	V618	V618-K622 WeakPolarHBondContact O-CA 3.32Å; V618-K622 PolarHBondContact O-N 2.84Å
623	T	87.8	Confident	90.5	Very high	14 Å²	14	61.2 Å²	61.2	9%	0.086	30%	0.304	C	S	.	.			trans	-86.8	-175.1	178.4	58.6	0	0	0	0	111	L577 I590 I592 V618 Y621	L577-T623 HydrophobicContact CD2-CG2 4.12Å; I590-T623 HydrophobicContact CB-CG2 3.91Å; I590-T623 HydrophobicContact CG2-CG2 3.73Å; I592-T623 WeakPolarHBondContact CD1-OG1 3.42Å; V618-T623 WeakPolarHBondContact CG1-O 3.27Å; V618-T623 PolarHBondContact O-N 3.38Å; Y621-T623 PolarHBondContact O-N 3Å
624	T	91	Very high	90.7	Very high	36 Å²	36	63.8 Å²	63.8	22%	0.221	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.2	164.4	28.1	0	0	0	0	109.3	L591 I592 K646	L591-T624 VanDerWaalsContact CD1-OG1 3.26Å; L591-T624 WeakPolarHBondContact CD1-OG1 3.4Å; I592-T624 PolarHBondContact N-O 3.37Å; T624-K646 PolarHBondContact OG1-NZ 2.84Å
625	C	93.6	Very high	90.9	Very high	38 Å²	38	66 Å²	66	26%	0.257	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.3	177.4	-167	0	0	0	0	110.1	I592 I614 V618	I592-C625 HydrophobicContact CB-CB 4.24Å; I592-C625 VanDerWaalsContact O-CA 3.27Å; I592-C625 WeakPolarHBondContact O-CA 3.05Å; I614-C625 HydrophobicContact CG2-CB 4.18Å; V618-C625 HydrophobicContact CG2-CB 3.56Å
626	F	94.5	Very high	91.1	Very high	34 Å²	34	62.7 Å²	62.7	15%	0.149	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.5	174.4	-72.1	-95.5	0	0	0	110.4	L591 I592 L593 E594 V628 E638 A639 V642	L591-F626 HydrophobicContact CD1-CD2 3.75Å; L591-F626 HydrophobicContact CD1-CE2 3.76Å; I592-F626 PolarHBondContact O-N 3.41Å; L593-F626 WeakPolarHBondContact CA-O 3.4Å; L593-F626 HydrophobicContact CD2-CB 3.92Å; E594-F626 PolarHBondContact N-O 3.15Å; F626-V628 HydrophobicContact CB-CG1 4.12Å; F626-E638 HydrophobicContact CE1-CG 4.35Å; F626-A639 HydrophobicContact CB-CB 4.02Å; F626-A639 HydrophobicContact CD1-CB 4.23Å; F626-A639 HydrophobicContact CD2-CB 4.04Å; F626-A639 HydrophobicContact CG-CB 3.83Å; F626-V642 HydrophobicContact CE2-CB 4.33Å; F626-V642 HydrophobicContact CE2-CG1 4.1Å; F626-V642 HydrophobicContact CZ-CB 3.94Å; F626-V642 HydrophobicContact CZ-CG1 3.91Å; F626-V642 HydrophobicContact CZ-CG2 3.91Å
627	E	93.6	Very high	91.2	Very high	65 Å²	65	61.1 Å²	61.1	30%	0.304	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	120.2	166.2	-61.9	178.4	-174	0	0	108.1	R607 R611 N635	R607-E627 IonicContact CZ-OE1 3.57Å; R607-E627 IonicContact NH1-OE1 3.06Å; R607-E627 PolarHBondContact NH1-OE1 3.4Å; R607-E627 IonicContact NH2-OE1 2.65Å; R607-E627 PolarHBondContact NH2-OE1 3.02Å; R607-E627 IonicContact NH2-OE2 3.26Å; R611-E627 IonicContact CZ-OE1 2.72Å; R611-E627 IonicContact NH1-OE1 3.6Å; R611-E627 PolarHBondContact NH1-OE1 3.03Å; R611-E627 IonicContact NH1-OE2 2.83Å; E627-N635 VanDerWaalsContact O-CB 3.24Å; E627-N635 WeakPolarHBondContact O-CB 3.36Å; E627-N635 PolarHBondContact O-ND2 3.29Å
628	V	94.9	Very high	91.4	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157	-177.3	-58.4	0	0	0	0	112.1	I498 L593 E594 N595 K596 S597 F626 Q634 N635 I636 A639	I498-V628 HydrophobicContact CD1-CG2 4.13Å; L593-V628 HydrophobicContact CB-CG2 4Å; L593-V628 HydrophobicContact CD1-CG2 4.48Å; L593-V628 HydrophobicContact CD2-CG1 4.03Å; E594-V628 PolarHBondContact O-N 3.21Å; N595-V628 CarbonylContact C-O 3.5Å; N595-V628 VanDerWaalsContact CA-O 3.29Å; N595-V628 WeakPolarHBondContact CA-O 3.34Å; N595-V628 HydrophobicContact CB-CG2 4.13Å; N595-V628 PolarHBondContact OD1-O 3.42Å; K596-V628 PolarHBondContact N-O 2.94Å; S597-V628 PolarHBondContact N-O 3.13Å; S597-V628 VanDerWaalsContact N-O 3.15Å; S597-V628 VanDerWaalsContact OG-C 3.27Å; S597-V628 PolarHBondContact OG-O 3.42Å; F626-V628 HydrophobicContact CB-CG1 4.12Å; V628-Q634 WeakPolarHBondContact CA-O 3.46Å; V628-N635 HydrophobicContact CG1-CB 4.11Å; V628-I636 HydrophobicContact CB-CG1 4.12Å; V628-I636 HydrophobicContact CG1-CG1 4.45Å; V628-A639 HydrophobicContact CG1-CB 4.48Å
629	S	94.3	Very high	91.7	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.313	C	S	.	.			trans	-131.1	114.4	167.3	170.5	0	0	0	0	110.9	D598 K631 T632 G633 Q634	D598-S629 VanDerWaalsContact CG-OG 3.3Å; D598-S629 WeakPolarHBondContact OD1-CB 3.34Å; D598-S629 PolarHBondContact OD1-OG 2.83Å; S629-K631 PolarHBondContact O-N 3.03Å; S629-K631 PolarHBondContact OG-N 3.2Å; S629-T632 WeakPolarHBondContact CB-OG1 3.45Å; S629-T632 PolarHBondContact OG-N 2.68Å; S629-T632 PolarHBondContact OG-OG1 3.09Å; S629-G633 WeakPolarHBondContact O-CA 3.43Å; S629-G633 PolarHBondContact O-N 3.43Å; S629-Q634 PolarHBondContact N-O 3.15Å
630	A	92.6	Very high	91.9	Very high	3 Å²	3	55.2 Å²	55.2	3%	0.025	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-28	169.7	0	0	0	0	0	113.3	I498 K501 F507 N595	I498-A630 HydrophobicContact CG1-CB 3.96Å; K501-A630 WeakPolarHBondContact CD-O 3.48Å; K501-A630 VanDerWaalsContact CG-O 3.29Å; K501-A630 WeakPolarHBondContact CG-O 3.2Å; F507-A630 VanDerWaalsContact CD2-C 3.49Å; F507-A630 HydrophobicContact CD2-CB 4.06Å; F507-A630 WeakPolarHBondContact CD2-O 3.36Å; F507-A630 HydrophobicContact CE2-CB 3.99Å; N595-A630 PolarHBondContact OD1-N 2.85Å; N595-A630 VanDerWaalsContact OD1-N 3.08Å
631	K	91.4	Very high	92.1	Very high	107 Å²	107	52.2 Å²	52.2	47%	0.465	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-52	-176.7	-177.6	-166.1	-179.1	-177.9	0	111.9	F507 D598 S629	F507-K631 HydrophobicContact CD1-CB 4.1Å; F507-K631 HydrophobicContact CD1-CG 3.96Å; F507-K631 HydrophobicContact CD2-CB 4.37Å; F507-K631 HydrophobicContact CE1-CB 3.97Å; F507-K631 HydrophobicContact CE1-CG 3.85Å; F507-K631 HydrophobicContact CE2-CB 4.24Å; F507-K631 HydrophobicContact CG-CB 4.3Å; F507-K631 HydrophobicContact CZ-CB 4.04Å; F507-K631 HydrophobicContact CZ-CG 4.39Å; D598-K631 HydrophobicContact CB-CD 4.5Å; D598-K631 WeakPolarHBondContact OD2-CD 3.32Å; D598-K631 IonicContact OD2-NZ 3.68Å; D598-K631 PolarHBondContact OD2-NZ 3.46Å; S629-K631 PolarHBondContact O-N 3.03Å; S629-K631 PolarHBondContact OG-N 3.2Å
632	T	90.7	Very high	92.5	Very high	80 Å²	80	50.1 Å²	50.1	49%	0.491	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-31.3	179.6	63.9	0	0	0	0	112	D598 S629 Q634	D598-T632 HydrophobicContact CB-CG2 4.1Å; S629-T632 WeakPolarHBondContact CB-OG1 3.45Å; S629-T632 PolarHBondContact OG-N 2.68Å; S629-T632 PolarHBondContact OG-OG1 3.09Å; T632-Q634 VanDerWaalsContact OG1-CB 3.26Å; T632-Q634 WeakPolarHBondContact OG1-CB 3.46Å; T632-Q634 PolarHBondContact OG1-N 3.34Å; T632-Q634 VanDerWaalsContact OG1-N 3.16Å
633	G	90.6	Very high	92.8	Very high	24 Å²	24	41.1 Å²	41.1	25%	0.247	21%	0.214	C	C	.	.			trans	93.2	-0.4	-168.6	0	0	0	0	0	113.8	K501 S629 N635 I636	K501-G633 VanDerWaalsContact CE-CA 3.42Å; S629-G633 WeakPolarHBondContact O-CA 3.43Å; S629-G633 PolarHBondContact O-N 3.43Å; G633-N635 PolarHBondContact O-N 3.49Å; G633-I636 PolarHBondContact O-N 2.88Å
634	Q	92.1	Very high	93	Very high	103 Å²	103	40.4 Å²	40.4	48%	0.481	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	131.9	-175.5	-176.7	173.2	9.1	0	0	112.1	V628 S629 T632 I636	V628-Q634 WeakPolarHBondContact CA-O 3.46Å; S629-Q634 PolarHBondContact N-O 3.15Å; T632-Q634 VanDerWaalsContact OG1-CB 3.26Å; T632-Q634 WeakPolarHBondContact OG1-CB 3.46Å; T632-Q634 PolarHBondContact OG1-N 3.34Å; T632-Q634 VanDerWaalsContact OG1-N 3.16Å; Q634-I636 PolarHBondContact O-N 2.98Å
635	N	92.7	Very high	93.1	Very high	56 Å²	56	42.9 Å²	42.9	30%	0.299	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	4	176.8	-55.1	-7	0	0	0	116.4	E627 V628 G633 A639	E627-N635 VanDerWaalsContact O-CB 3.24Å; E627-N635 WeakPolarHBondContact O-CB 3.36Å; E627-N635 PolarHBondContact O-ND2 3.29Å; V628-N635 HydrophobicContact CG1-CB 4.11Å; G633-N635 PolarHBondContact O-N 3.49Å; N635-A639 VanDerWaalsContact O-CB 3.3Å; N635-A639 WeakPolarHBondContact O-CB 3.43Å; N635-A639 PolarHBondContact O-N 3.34Å
636	I	94	Very high	93	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-65.9	-52.8	180	-65.3	-178.8	0	0	0	110.5	I498 K501 F502 V628 G633 Q634 E638 A639 F640	I498-I636 HydrophobicContact CG2-CD1 4.28Å; I498-I636 HydrophobicContact CG2-CG2 4.16Å; K501-I636 HydrophobicContact CB-CD1 4.08Å; K501-I636 HydrophobicContact CG-CD1 3.78Å; F502-I636 HydrophobicContact CB-CG2 3.81Å; F502-I636 HydrophobicContact CD2-CG2 4.22Å; F502-I636 HydrophobicContact CG-CG2 4.3Å; V628-I636 HydrophobicContact CB-CG1 4.12Å; V628-I636 HydrophobicContact CG1-CG1 4.45Å; G633-I636 PolarHBondContact O-N 2.88Å; Q634-I636 PolarHBondContact O-N 2.98Å; I636-E638 VanDerWaalsContact C-N 3.29Å; I636-E638 PolarHBondContact O-N 2.87Å; I636-A639 PolarHBondContact O-N 2.89Å; I636-F640 HydrophobicContact CG2-CD2 3.75Å; I636-F640 HydrophobicContact CG2-CE2 3.69Å; I636-F640 VanDerWaalsContact O-CD2 3.28Å; I636-F640 WeakPolarHBondContact O-CD2 3.44Å; I636-F640 PolarHBondContact O-N 3.5Å
637	E	92.2	Very high	92.8	Very high	102 Å²	102	42.5 Å²	42.5	48%	0.477	21%	0.21	S	C	.	.	H	α-helix	trans	-57.4	-43.6	179.4	-157.1	73.1	-167	0	0	111.4	F502 F640 M641	F502-E637 WeakPolarHBondContact CD2-OE2 3.46Å; F502-E637 WeakPolarHBondContact CE2-OE2 3.33Å; E637-F640 PolarHBondContact O-N 3Å; E637-M641 WeakPolarHBondContact O-CB 3.22Å; E637-M641 VanDerWaalsContact O-CG 3.29Å; E637-M641 WeakPolarHBondContact O-CG 3.48Å; E637-M641 PolarHBondContact O-N 2.89Å
638	E	93.5	Very high	92.6	Very high	112 Å²	112	41.1 Å²	41.1	52%	0.523	20%	0.203	S	C	.	.	H	α-helix	trans	-64	-45.1	178.8	-174.3	178.1	-173.2	0	0	112	F626 I636 F640 M641 V642	F626-E638 HydrophobicContact CE1-CG 4.35Å; I636-E638 VanDerWaalsContact C-N 3.29Å; I636-E638 PolarHBondContact O-N 2.87Å; E638-F640 VanDerWaalsContact C-N 3.35Å; E638-F640 PolarHBondContact O-N 3.35Å; E638-M641 PolarHBondContact O-N 3.35Å; E638-V642 WeakPolarHBondContact O-CG2 3.44Å; E638-V642 PolarHBondContact O-N 2.88Å
639	A	95.1	Very high	92.3	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-40.9	178.2	0	0	0	0	0	112	L591 L593 F626 V628 N635 I636 M643	L591-A639 HydrophobicContact CD2-CB 4.33Å; L593-A639 HydrophobicContact CD2-CB 3.77Å; F626-A639 HydrophobicContact CB-CB 4.02Å; F626-A639 HydrophobicContact CD1-CB 4.23Å; F626-A639 HydrophobicContact CD2-CB 4.04Å; F626-A639 HydrophobicContact CG-CB 3.83Å; V628-A639 HydrophobicContact CG1-CB 4.48Å; N635-A639 VanDerWaalsContact O-CB 3.3Å; N635-A639 WeakPolarHBondContact O-CB 3.43Å; N635-A639 PolarHBondContact O-N 3.34Å; I636-A639 PolarHBondContact O-N 2.89Å; A639-M643 PolarHBondContact O-N 3.38Å
640	F	94.2	Very high	91.8	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.013	24%	0.244	C	C	.	.	H	α-helix	trans	-67.5	-41.6	173.9	-82.3	-71.7	0	0	0	112.7	F487 I498 F502 M524 L533 L535 I559 I636 E637 E638 M643 A644	F487-F640 HydrophobicContact CE2-CE1 4.15Å; F487-F640 HydrophobicContact CE2-CZ 4.08Å; F487-F640 AromaticContact CZ-CE1 3.87Å; F487-F640 HydrophobicContact CZ-CE1 3.87Å; F487-F640 HydrophobicContact CZ-CE2 4.48Å; F487-F640 AromaticContact CZ-CZ 3.49Å; F487-F640 HydrophobicContact CZ-CZ 3.49Å; F487-F640 VanDerWaalsContact CZ-CZ 3.49Å; I498-F640 HydrophobicContact CG2-CE2 4.26Å; F502-F640 HydrophobicContact CB-CD2 4.14Å; F502-F640 HydrophobicContact CB-CE2 3.57Å; F502-F640 HydrophobicContact CB-CZ 4.24Å; F502-F640 HydrophobicContact CD1-CD1 4.15Å; F502-F640 AromaticContact CD1-CD2 3.58Å; F502-F640 HydrophobicContact CD1-CD2 3.58Å; F502-F640 AromaticContact CD1-CE1 3.88Å; F502-F640 HydrophobicContact CD1-CE1 3.88Å; F502-F640 AromaticContact CD1-CE2 3.29Å; F502-F640 HydrophobicContact CD1-CE2 3.29Å; F502-F640 AromaticContact CD1-CG 3.99Å; F502-F640 HydrophobicContact CD1-CG 3.99Å; F502-F640 AromaticContact CD1-CZ 3.4Å; F502-F640 HydrophobicContact CD1-CZ 3.4Å; F502-F640 VanDerWaalsContact CD1-CZ 3.4Å; F502-F640 AromaticContact CD2-CD2 3.51Å; F502-F640 HydrophobicContact CD2-CD2 3.51Å; F502-F640 AromaticContact CD2-CE2 3.85Å; F502-F640 HydrophobicContact CD2-CE2 3.85Å; F502-F640 HydrophobicContact CD2-CG 4.19Å; F502-F640 HydrophobicContact CE1-CB 4.21Å; F502-F640 AromaticContact CE1-CD1 3.71Å; F502-F640 HydrophobicContact CE1-CD1 3.71Å; F502-F640 AromaticContact CE1-CD2 3.71Å; F502-F640 HydrophobicContact CE1-CD2 3.71Å; F502-F640 AromaticContact CE1-CE1 3.81Å; F502-F640 HydrophobicContact CE1-CE1 3.81Å; F502-F640 AromaticContact CE1-CE2 3.84Å; F502-F640 HydrophobicContact CE1-CE2 3.84Å; F502-F640 AromaticContact CE1-CG 3.63Å; F502-F640 HydrophobicContact CE1-CG 3.63Å; F502-F640 AromaticContact CE1-CZ 3.84Å; F502-F640 HydrophobicContact CE1-CZ 3.84Å; F502-F640 HydrophobicContact CE2-CB 3.85Å; F502-F640 AromaticContact CE2-CD2 3.67Å; F502-F640 HydrophobicContact CE2-CD2 3.67Å; F502-F640 HydrophobicContact CE2-CE2 4.34Å; F502-F640 AromaticContact CE2-CG 3.87Å; F502-F640 HydrophobicContact CE2-CG 3.87Å; F502-F640 AromaticContact CG-CD2 3.47Å; F502-F640 HydrophobicContact CG-CD2 3.47Å; F502-F640 VanDerWaalsContact CG-CD2 3.47Å; F502-F640 AromaticContact CG-CE2 3.29Å; F502-F640 HydrophobicContact CG-CE2 3.29Å; F502-F640 HydrophobicContact CG-CG 4.25Å; F502-F640 AromaticContact CG-CZ 3.91Å; F502-F640 HydrophobicContact CG-CZ 3.91Å; F502-F640 HydrophobicContact CZ-CB 3.65Å; F502-F640 HydrophobicContact CZ-CD1 4.04Å; F502-F640 AromaticContact CZ-CD2 3.76Å; F502-F640 HydrophobicContact CZ-CD2 3.76Å; F502-F640 HydrophobicContact CZ-CE2 4.34Å; F502-F640 AromaticContact CZ-CG 3.57Å; F502-F640 HydrophobicContact CZ-CG 3.57Å; M524-F640 HydrophobicContact SD-CB 4.34Å; L533-F640 HydrophobicContact CD1-CB 4.47Å; L533-F640 HydrophobicContact CD1-CD1 3.78Å; L533-F640 HydrophobicContact CD1-CE1 4.44Å; L533-F640 HydrophobicContact CD1-CG 4.49Å; L535-F640 HydrophobicContact CD1-CE1 4.42Å; L535-F640 HydrophobicContact CD1-CZ 4.31Å; L535-F640 HydrophobicContact CD2-CE1 3.73Å; L535-F640 HydrophobicContact CD2-CZ 4.35Å; I559-F640 HydrophobicContact CD1-CD1 4.3Å; I559-F640 HydrophobicContact CD1-CE1 3.82Å; I559-F640 HydrophobicContact CD1-CZ 4.4Å; I636-F640 HydrophobicContact CG2-CD2 3.75Å; I636-F640 HydrophobicContact CG2-CE2 3.69Å; I636-F640 VanDerWaalsContact O-CD2 3.28Å; I636-F640 WeakPolarHBondContact O-CD2 3.44Å; I636-F640 PolarHBondContact O-N 3.5Å; E637-F640 PolarHBondContact O-N 3Å; E638-F640 VanDerWaalsContact C-N 3.35Å; E638-F640 PolarHBondContact O-N 3.35Å; F640-M643 WeakPolarHBondContact O-CB 3.4Å; F640-M643 PolarHBondContact O-N 2.89Å; F640-A644 PolarHBondContact O-N 3.35Å
641	M	92.6	Very high	91.4	Very high	46 Å²	46	52.4 Å²	52.4	23%	0.227	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-43.4	175.7	-78.4	-68.9	-69.6	0	0	112.1	M524 C526 E637 E638 M643 A644 R645	M524-M641 HydrophobicContact CE-CG 4.48Å; M524-M641 HydrophobicContact CE-SD 3.86Å; M524-M641 HydrophobicContact CG-SD 3.79Å; M524-M641 HydrophobicContact SD-CG 4Å; M524-M641 HydrophobicContact SD-SD 3.59Å; C526-M641 HydrophobicContact CB-CE 4.33Å; C526-M641 HydrophobicContact CB-SD 4.36Å; E637-M641 WeakPolarHBondContact O-CB 3.22Å; E637-M641 VanDerWaalsContact O-CG 3.29Å; E637-M641 WeakPolarHBondContact O-CG 3.48Å; E637-M641 PolarHBondContact O-N 2.89Å; E638-M641 PolarHBondContact O-N 3.35Å; M641-M643 VanDerWaalsContact C-N 3.31Å; M641-M643 PolarHBondContact O-N 3.15Å; M641-A644 PolarHBondContact O-N 2.85Å; M641-R645 PolarHBondContact O-N 3.48Å
642	V	93.7	Very high	91	Very high	30 Å²	30	50 Å²	50	18%	0.182	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-36.4	174.5	171.4	0	0	0	0	111.3	F626 E638 K646	F626-V642 HydrophobicContact CE2-CB 4.33Å; F626-V642 HydrophobicContact CE2-CG1 4.1Å; F626-V642 HydrophobicContact CZ-CB 3.94Å; F626-V642 HydrophobicContact CZ-CG1 3.91Å; F626-V642 HydrophobicContact CZ-CG2 3.91Å; E638-V642 WeakPolarHBondContact O-CG2 3.44Å; E638-V642 PolarHBondContact O-N 2.88Å; V642-K646 WeakPolarHBondContact O-CG 3.42Å; V642-K646 PolarHBondContact O-N 3.4Å; V642-K646 VanDerWaalsContact O-N 3.12Å
643	M	93.2	Very high	90.5	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-48	174.1	-159.2	-178.2	-156.8	0	0	112	V485 I559 V589 L591 A639 F640 M641 R645 K646 L647	V485-M643 HydrophobicContact CG1-CE 4.01Å; V485-M643 HydrophobicContact CG1-SD 3.71Å; V485-M643 HydrophobicContact CG2-SD 4.09Å; I559-M643 HydrophobicContact CD1-CE 4.38Å; I559-M643 HydrophobicContact CD1-SD 3.62Å; I559-M643 HydrophobicContact CG1-CE 3.66Å; I559-M643 HydrophobicContact CG1-SD 3.57Å; I559-M643 VanDerWaalsContact CG1-SD 3.57Å; V589-M643 HydrophobicContact CG1-CE 4.35Å; V589-M643 HydrophobicContact CG1-CG 4.14Å; V589-M643 VanDerWaalsContact O-CE 3.26Å; V589-M643 WeakPolarHBondContact O-CE 3.39Å; L591-M643 HydrophobicContact CB-CE 4.1Å; L591-M643 HydrophobicContact CD2-CB 4.22Å; L591-M643 HydrophobicContact CD2-CG 4.46Å; L591-M643 HydrophobicContact CD2-SD 4.36Å; A639-M643 PolarHBondContact O-N 3.38Å; F640-M643 WeakPolarHBondContact O-CB 3.4Å; F640-M643 PolarHBondContact O-N 2.89Å; M641-M643 VanDerWaalsContact C-N 3.31Å; M641-M643 PolarHBondContact O-N 3.15Å; M643-R645 VanDerWaalsContact C-N 3.32Å; M643-R645 PolarHBondContact O-N 2.84Å; M643-K646 PolarHBondContact O-N 3.15Å; M643-L647 HydrophobicContact CG-CD1 4.04Å; M643-L647 VanDerWaalsContact O-CG 3.26Å; M643-L647 WeakPolarHBondContact O-CG 3.29Å; M643-L647 PolarHBondContact O-N 3.34Å
644	A	92.8	Very high	89.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-38.3	179.4	0	0	0	0	0	112.6	M524 C526 L531 F640 M641 L647 K648	M524-A644 HydrophobicContact CE-CB 3.28Å; C526-A644 HydrophobicContact CB-CB 4.3Å; L531-A644 HydrophobicContact CD1-CB 4.41Å; L531-A644 HydrophobicContact CD2-CB 4Å; F640-A644 PolarHBondContact O-N 3.35Å; M641-A644 PolarHBondContact O-N 2.85Å; A644-L647 PolarHBondContact O-N 2.96Å; A644-K648 WeakPolarHBondContact O-CB 3.43Å; A644-K648 PolarHBondContact O-N 2.98Å
645	R	92.8	Very high	89.2	Confident	87 Å²	87	54.9 Å²	54.9	33%	0.328	26%	0.256	S	S	.	.	H	α-helix	trans	-61	-48.5	172.5	-173.2	174.1	-63	119.2	3.9	112	D527 M641 M643 L647 K648 E649	D527-R645 IonicContact OD1-CZ 3.72Å; D527-R645 IonicContact OD1-NE 3.87Å; D527-R645 IonicContact OD1-NH2 2.73Å; D527-R645 PolarHBondContact OD1-NH2 3.15Å; D527-R645 IonicContact OD2-CZ 3.56Å; D527-R645 IonicContact OD2-NE 2.72Å; D527-R645 PolarHBondContact OD2-NE 2.82Å; D527-R645 IonicContact OD2-NH2 2.58Å; D527-R645 PolarHBondContact OD2-NH2 2.66Å; M641-R645 PolarHBondContact O-N 3.48Å; M643-R645 VanDerWaalsContact C-N 3.32Å; M643-R645 PolarHBondContact O-N 2.84Å; R645-L647 VanDerWaalsContact C-N 3.32Å; R645-L647 PolarHBondContact O-N 3.14Å; R645-K648 WeakPolarHBondContact O-CB 3.38Å; R645-K648 PolarHBondContact O-N 3.16Å; R645-E649 WeakPolarHBondContact CG-OE1 3.4Å; R645-E649 WeakPolarHBondContact O-CG 3.33Å; R645-E649 PolarHBondContact O-N 3.06Å
646	K	91.5	Very high	88.3	Confident	58 Å²	58	57.1 Å²	57.1	25%	0.252	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-37.4	176.5	-76.8	-175.4	170.2	-169.5	0	113.3	V589 T624 V642 M643 K650	V589-K646 HydrophobicContact CG1-CB 3.78Å; V589-K646 HydrophobicContact CG1-CD 4.09Å; V589-K646 HydrophobicContact CG2-CB 4.16Å; T624-K646 PolarHBondContact OG1-NZ 2.84Å; V642-K646 WeakPolarHBondContact O-CG 3.42Å; V642-K646 PolarHBondContact O-N 3.4Å; V642-K646 VanDerWaalsContact O-N 3.12Å; M643-K646 PolarHBondContact O-N 3.15Å; K646-K650 PolarHBondContact O-N 3.22Å
647	L	90.7	Very high	87.4	Confident	7 Å²	7	59.5 Å²	59.5	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-47.4	175.5	-71.6	163	0	0	0	110.7	Y483 V485 D556 V589 M643 A644 R645 E649 K650 E651	Y483-L647 HydrophobicContact CD1-CB 4.15Å; Y483-L647 HydrophobicContact CD2-CB 3.97Å; Y483-L647 HydrophobicContact CD2-CD1 3.98Å; Y483-L647 HydrophobicContact CE1-CB 4.06Å; Y483-L647 HydrophobicContact CE2-CB 3.86Å; Y483-L647 HydrophobicContact CG-CB 4.12Å; Y483-L647 HydrophobicContact CG-CD1 3.94Å; Y483-L647 HydrophobicContact CG-CG 4.47Å; V485-L647 HydrophobicContact CG2-CD1 4.26Å; D556-L647 VanDerWaalsContact C-CD2 3.44Å; D556-L647 HydrophobicContact CB-CD2 3.67Å; D556-L647 WeakPolarHBondContact O-CD2 3.42Å; V589-L647 HydrophobicContact CB-CD2 3.87Å; V589-L647 HydrophobicContact CB-CG 4.22Å; V589-L647 HydrophobicContact CG2-CD2 3.67Å; V589-L647 HydrophobicContact CG2-CG 4.01Å; M643-L647 HydrophobicContact CG-CD1 4.04Å; M643-L647 VanDerWaalsContact O-CG 3.26Å; M643-L647 WeakPolarHBondContact O-CG 3.29Å; M643-L647 PolarHBondContact O-N 3.34Å; A644-L647 PolarHBondContact O-N 2.96Å; R645-L647 VanDerWaalsContact C-N 3.32Å; R645-L647 PolarHBondContact O-N 3.14Å; L647-E649 PolarHBondContact O-N 3.08Å; L647-K650 PolarHBondContact O-N 2.84Å; L647-E651 WeakPolarHBondContact O-CB 3.36Å; L647-E651 PolarHBondContact O-N 3.04Å
648	K	89	Confident	86.5	Confident	36 Å²	36	59.5 Å²	59.5	16%	0.157	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-42.9	176.1	-177.9	176.6	176.4	176	0	112.6	Y483 C526 D527 T529 A644 R645 V652	Y483-K648 WeakPolarHBondContact OH-CA 3.35Å; C526-K648 PolarHBondContact O-NZ 3.43Å; D527-K648 PolarHBondContact O-NZ 3.07Å; T529-K648 VanDerWaalsContact CG2-NZ 3.29Å; T529-K648 WeakPolarHBondContact OG1-CE 3.44Å; T529-K648 PolarHBondContact OG1-NZ 3.29Å; A644-K648 WeakPolarHBondContact O-CB 3.43Å; A644-K648 PolarHBondContact O-N 2.98Å; R645-K648 WeakPolarHBondContact O-CB 3.38Å; R645-K648 PolarHBondContact O-N 3.16Å; K648-V652 VanDerWaalsContact O-CG2 3.29Å; K648-V652 WeakPolarHBondContact O-CG2 3.46Å; K648-V652 PolarHBondContact O-N 3.31Å; K648-V652 VanDerWaalsContact O-N 3.11Å
649	E	87.8	Confident	84.9	Confident	116 Å²	116	59.9 Å²	59.9	54%	0.542	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-48	175.3	-75	168.1	-175.9	0	0	112.1	R645 L647 V652 Y653	R645-E649 WeakPolarHBondContact CG-OE1 3.4Å; R645-E649 WeakPolarHBondContact O-CG 3.33Å; R645-E649 PolarHBondContact O-N 3.06Å; L647-E649 PolarHBondContact O-N 3.08Å; E649-V652 PolarHBondContact O-N 3.16Å; E649-Y653 PolarHBondContact O-N 2.75Å; E649-Y653 VanDerWaalsContact O-N 3.09Å
650	K	84.9	Confident	83.6	Confident	72 Å²	72	64.5 Å²	64.5	31%	0.313	31%	0.308	S	S	.	.	H	α-helix	trans	-64.7	-43	178.8	-79.5	-158.7	-179.7	-170.8	0	112.8	E586 N587 T588 V589 K646 L647 V652 Y653 E654	E586-K650 PolarHBondContact O-NZ 3.46Å; E586-K650 VanDerWaalsContact O-NZ 3.13Å; N587-K650 WeakPolarHBondContact O-CD 3.33Å; N587-K650 WeakPolarHBondContact O-CE 3.46Å; N587-K650 PolarHBondContact O-NZ 3.29Å; T588-K650 PolarHBondContact O-NZ 3.03Å; V589-K650 HydrophobicContact CG2-CD 3.81Å; V589-K650 HydrophobicContact CG2-CG 4.34Å; K646-K650 PolarHBondContact O-N 3.22Å; L647-K650 PolarHBondContact O-N 2.84Å; K650-V652 VanDerWaalsContact C-N 3.31Å; K650-V652 PolarHBondContact O-N 3.47Å; K650-Y653 WeakPolarHBondContact O-CB 3.43Å; K650-Y653 PolarHBondContact O-N 3.02Å; K650-Y653 VanDerWaalsContact O-N 3.12Å; K650-E654 PolarHBondContact O-N 3.3Å
651	E	84	Confident	82	Confident	51 Å²	51	69.3 Å²	69.3	24%	0.238	33%	0.333	C	S	.	.	H	α-helix	trans	-61.8	-39.2	177	-172.8	-168	157.5	0	0	111.9	R481 Y483 L647 Y653 E654 L655	R481-E651 VanDerWaalsContact CD-OE2 3.28Å; R481-E651 WeakPolarHBondContact CD-OE2 3.43Å; R481-E651 IonicContact CZ-OE1 2.72Å; R481-E651 IonicContact CZ-OE2 2.77Å; R481-E651 IonicContact NE-OE1 3.2Å; R481-E651 IonicContact NE-OE2 2.7Å; R481-E651 IonicContact NH1-OE1 2.58Å; R481-E651 PolarHBondContact NH1-OE1 2.97Å; R481-E651 IonicContact NH1-OE2 3.67Å; R481-E651 PolarHBondContact NH1-OE2 3.34Å; Y483-E651 VanDerWaalsContact CE1-OE2 3.25Å; Y483-E651 WeakPolarHBondContact CE1-OE2 3.37Å; Y483-E651 VanDerWaalsContact CZ-OE2 3.29Å; Y483-E651 PolarHBondContact OH-OE2 3.28Å; L647-E651 WeakPolarHBondContact O-CB 3.36Å; L647-E651 PolarHBondContact O-N 3.04Å; E651-Y653 VanDerWaalsContact C-N 3.33Å; E651-Y653 PolarHBondContact O-N 3.01Å; E651-E654 PolarHBondContact O-N 3.16Å; E651-L655 HydrophobicContact CG-CD1 4.25Å; E651-L655 WeakPolarHBondContact O-CB 3.49Å; E651-L655 VanDerWaalsContact O-CG 3.26Å; E651-L655 WeakPolarHBondContact O-CG 3.49Å; E651-L655 PolarHBondContact O-N 3.02Å
652	V	82.8	Confident	80.4	Confident	58 Å²	58	74.1 Å²	74.1	35%	0.352	35%	0.353	S	S	.	.	H	α-helix	trans	-62.8	-40.8	173.7	169.2	0	0	0	0	111.2	K648 E649 K650 L655 Q656	K648-V652 VanDerWaalsContact O-CG2 3.29Å; K648-V652 WeakPolarHBondContact O-CG2 3.46Å; K648-V652 PolarHBondContact O-N 3.31Å; K648-V652 VanDerWaalsContact O-N 3.11Å; E649-V652 PolarHBondContact O-N 3.16Å; K650-V652 VanDerWaalsContact C-N 3.31Å; K650-V652 PolarHBondContact O-N 3.47Å; V652-L655 PolarHBondContact O-N 3.15Å; V652-Q656 VanDerWaalsContact O-CG 3.3Å; V652-Q656 WeakPolarHBondContact O-CG 3.3Å; V652-Q656 PolarHBondContact O-N 2.77Å
653	Y	81	Confident	78.5	Confident	152 Å²	152	77.4 Å²	77.4	60%	0.596	37%	0.37	S	S	*	.	H	α-helix	trans	-65.3	-40.3	176.3	-178.4	-98	0	0	0	112.9	E649 K650 E651 T657	E649-Y653 PolarHBondContact O-N 2.75Å; E649-Y653 VanDerWaalsContact O-N 3.09Å; K650-Y653 WeakPolarHBondContact O-CB 3.43Å; K650-Y653 PolarHBondContact O-N 3.02Å; K650-Y653 VanDerWaalsContact O-N 3.12Å; E651-Y653 VanDerWaalsContact C-N 3.33Å; E651-Y653 PolarHBondContact O-N 3.01Å; Y653-T657 WeakPolarHBondContact O-CB 3.29Å; Y653-T657 PolarHBondContact O-N 3.36Å; Y653-T657 PolarHBondContact O-OG1 3.06Å
654	E	77.4	Confident	76.8	Confident	74 Å²	74	81.5 Å²	81.5	35%	0.346	39%	0.392	S	S	.	.	H	α-helix	trans	-62	-47.7	173.5	-72.7	-175.6	169.4	0	0	111.7	N587 K650 E651 Q656 T657 L658	N587-E654 WeakPolarHBondContact CB-OE1 3.24Å; N587-E654 VanDerWaalsContact CG-OE1 3.23Å; N587-E654 PolarHBondContact ND2-OE1 3.09Å; K650-E654 PolarHBondContact O-N 3.3Å; E651-E654 PolarHBondContact O-N 3.16Å; E654-Q656 PolarHBondContact O-N 3.28Å; E654-T657 PolarHBondContact O-N 3.14Å; E654-L658 WeakPolarHBondContact O-CB 3.41Å; E654-L658 WeakPolarHBondContact O-CG 3.38Å; E654-L658 PolarHBondContact O-N 3.24Å
655	L	77.4	Confident	75	Confident	83 Å²	83	83.8 Å²	83.8	44%	0.435	41%	0.411	S	S	.	.	H	α-helix	trans	-61.2	-42.7	179.5	-73.2	169.9	0	0	0	111.9	E651 V652 L658 Q659	E651-L655 HydrophobicContact CG-CD1 4.25Å; E651-L655 WeakPolarHBondContact O-CB 3.49Å; E651-L655 VanDerWaalsContact O-CG 3.26Å; E651-L655 WeakPolarHBondContact O-CG 3.49Å; E651-L655 PolarHBondContact O-N 3.02Å; V652-L655 PolarHBondContact O-N 3.15Å; L655-L658 PolarHBondContact O-N 3.17Å; L655-Q659 VanDerWaalsContact O-CG 3.32Å; L655-Q659 WeakPolarHBondContact O-CG 3.49Å; L655-Q659 PolarHBondContact O-N 3.45Å
656	Q	74.2	Confident	73.1	Confident	103 Å²	103	84.5 Å²	84.5	48%	0.481	42%	0.421	S	S	.	.	H	α-helix	trans	-61.6	-45.2	173.7	-73.8	174	-2.3	0	0	111.8	V652 E654 L658 Q659 N660	V652-Q656 VanDerWaalsContact O-CG 3.3Å; V652-Q656 WeakPolarHBondContact O-CG 3.3Å; V652-Q656 PolarHBondContact O-N 2.77Å; E654-Q656 PolarHBondContact O-N 3.28Å; Q656-L658 VanDerWaalsContact C-N 3.35Å; Q656-L658 PolarHBondContact O-N 3.17Å; Q656-Q659 PolarHBondContact O-N 3.34Å; Q656-N660 VanDerWaalsContact O-CG 3.3Å; Q656-N660 PolarHBondContact O-N 2.8Å; Q656-N660 PolarHBondContact O-ND2 3.42Å
657	T	74.6	Confident	71.2	Confident	55 Å²	55	86.3 Å²	86.3	34%	0.337	44%	0.437	S	S	.	.	H	α-helix	trans	-61.3	-42.7	177.6	-57.4	0	0	0	0	111.6	Y653 E654 N660 L661	Y653-T657 WeakPolarHBondContact O-CB 3.29Å; Y653-T657 PolarHBondContact O-N 3.36Å; Y653-T657 PolarHBondContact O-OG1 3.06Å; E654-T657 PolarHBondContact O-N 3.14Å; T657-N660 PolarHBondContact O-N 3.4Å; T657-L661 HydrophobicContact CG2-CD1 4.3Å; T657-L661 WeakPolarHBondContact O-CG 3.31Å; T657-L661 PolarHBondContact O-N 3.28Å
658	L	72.2	Confident	69.5	Low	102 Å²	102	93.6 Å²	93.6	53%	0.534	47%	0.468	S	S	.	.	H	α-helix	trans	-67.9	-32.6	175.9	-71.3	172.5	0	0	0	113.3	E654 L655 Q656 K662	E654-L658 WeakPolarHBondContact O-CB 3.41Å; E654-L658 WeakPolarHBondContact O-CG 3.38Å; E654-L658 PolarHBondContact O-N 3.24Å; L655-L658 PolarHBondContact O-N 3.17Å; Q656-L658 VanDerWaalsContact C-N 3.35Å; Q656-L658 PolarHBondContact O-N 3.17Å; L658-K662 WeakPolarHBondContact O-CG 3.32Å; L658-K662 PolarHBondContact O-N 2.91Å
659	Q	61.7	Low	67.7	Low	120 Å²	120	99.4 Å²	99.4	56%	0.561	49%	0.493	S	S	*	.	H	α-helix	trans	-66.9	-45.6	172.6	-76.4	175.9	-0.2	0	0	111.3	L655 Q656 L661 K662 N663	L655-Q659 VanDerWaalsContact O-CG 3.32Å; L655-Q659 WeakPolarHBondContact O-CG 3.49Å; L655-Q659 PolarHBondContact O-N 3.45Å; Q656-Q659 PolarHBondContact O-N 3.34Å; Q659-L661 PolarHBondContact O-N 2.88Å; Q659-K662 WeakPolarHBondContact O-CB 3.3Å; Q659-K662 PolarHBondContact O-N 2.92Å; Q659-K662 VanDerWaalsContact O-N 3.13Å; Q659-N663 PolarHBondContact O-N 3.31Å; Q659-N663 VanDerWaalsContact O-N 3.08Å
660	N	66.8	Low	66.1	Low	100 Å²	100	100.7 Å²	100.7	54%	0.535	50%	0.504	S	S	.	.	H	α-helix	trans	-60.2	-44.3	177	-67.2	-18.9	0	0	0	111.6	Q656 T657 K662 N663 D664	Q656-N660 VanDerWaalsContact O-CG 3.3Å; Q656-N660 PolarHBondContact O-N 2.8Å; Q656-N660 PolarHBondContact O-ND2 3.42Å; T657-N660 PolarHBondContact O-N 3.4Å; N660-K662 VanDerWaalsContact C-N 3.3Å; N660-K662 PolarHBondContact O-N 3.44Å; N660-N663 PolarHBondContact O-N 2.76Å; N660-N663 VanDerWaalsContact O-N 3.15Å; N660-D664 PolarHBondContact O-N 2.87Å
661	L	60.3	Low	64.6	Low	103 Å²	103	103.3 Å²	103.3	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-62.6	-31.6	175.5	-71.4	169.1	0	0	0	113.6	T657 Q659 A665	T657-L661 HydrophobicContact CG2-CD1 4.3Å; T657-L661 WeakPolarHBondContact O-CG 3.31Å; T657-L661 PolarHBondContact O-N 3.28Å; Q659-L661 PolarHBondContact O-N 2.88Å; L661-A665 WeakPolarHBondContact O-CB 3.41Å; L661-A665 PolarHBondContact O-N 3.11Å; L661-A665 VanDerWaalsContact O-N 3.14Å
662	K	58.7	Low	62.6	Low	147 Å²	147	106.8 Å²	106.8	64%	0.639	56%	0.555	S	S	*	*	H	α-helix	trans	-71.2	-37.1	173.4	-80.2	179.2	177.1	177.2	0	112.4	L658 Q659 N660 A665 N666	L658-K662 WeakPolarHBondContact O-CG 3.32Å; L658-K662 PolarHBondContact O-N 2.91Å; Q659-K662 WeakPolarHBondContact O-CB 3.3Å; Q659-K662 PolarHBondContact O-N 2.92Å; Q659-K662 VanDerWaalsContact O-N 3.13Å; N660-K662 VanDerWaalsContact C-N 3.3Å; N660-K662 PolarHBondContact O-N 3.44Å; K662-A665 PolarHBondContact O-N 2.98Å; K662-N666 PolarHBondContact O-N 3.13Å
663	N	55.7	Low	61.1	Low	99 Å²	99	110.3 Å²	110.3	53%	0.529	58%	0.58	S	S	.	*	H	α-helix	trans	-66.3	-43.9	177.4	-66.2	-18.5	0	0	0	110.8	Q659 N660 A665 N666 T667	Q659-N663 PolarHBondContact O-N 3.31Å; Q659-N663 VanDerWaalsContact O-N 3.08Å; N660-N663 PolarHBondContact O-N 2.76Å; N660-N663 VanDerWaalsContact O-N 3.15Å; N663-A665 VanDerWaalsContact C-N 3.29Å; N663-A665 PolarHBondContact O-N 2.98Å; N663-N666 PolarHBondContact O-N 2.98Å; N663-N666 VanDerWaalsContact O-N 3.16Å; N663-T667 PolarHBondContact O-N 3.13Å; N663-T667 VanDerWaalsContact O-N 3.13Å; N663-T667 PolarHBondContact O-OG1 2.94Å
664	D	56.5	Low	59.3	Low	89 Å²	89	118.5 Å²	118.5	48%	0.476	61%	0.61	S	S	.	*	H	α-helix	trans	-64.4	-28.5	173.5	-81	-15.1	0	0	0	114.2	N660 T667 K668	N660-D664 PolarHBondContact O-N 2.87Å; D664-T667 PolarHBondContact O-OG1 2.99Å; D664-K668 WeakPolarHBondContact O-CG 3.3Å
665	A	55	Low	58.3	Low	48 Å²	48	120.7 Å²	120.7	40%	0.397	62%	0.623	S	S	.	*	H	α-helix	trans	-77.3	-21.3	175.9	0	0	0	0	0	113.2	L661 K662 N663	L661-A665 WeakPolarHBondContact O-CB 3.41Å; L661-A665 PolarHBondContact O-N 3.11Å; L661-A665 VanDerWaalsContact O-N 3.14Å; K662-A665 PolarHBondContact O-N 2.98Å; N663-A665 VanDerWaalsContact C-N 3.29Å; N663-A665 PolarHBondContact O-N 2.98Å
666	N	51.9	Low	57.3	Low	102 Å²	102	122.7 Å²	122.7	55%	0.545	63%	0.633	S	S	.	*	H	α-helix	trans	-88	-37.7	176.1	-79.8	-15.4	0	0	0	112.1	K662 N663 K668 K669	K662-N666 PolarHBondContact O-N 3.13Å; N663-N666 PolarHBondContact O-N 2.98Å; N663-N666 VanDerWaalsContact O-N 3.16Å; N666-K668 VanDerWaalsContact C-N 3.28Å; N666-K668 PolarHBondContact O-N 3.33Å; N666-K669 PolarHBondContact O-N 2.87Å
667	T	53.7	Low	56.4	Low	95 Å²	95	123.8 Å²	123.8	58%	0.583	64%	0.642	S	S	*	*	H	α-helix	trans	-64.2	-31.4	175.7	51.2	0	0	0	0	112.9	N663 D664 K669	N663-T667 PolarHBondContact O-N 3.13Å; N663-T667 VanDerWaalsContact O-N 3.13Å; N663-T667 PolarHBondContact O-OG1 2.94Å; D664-T667 PolarHBondContact O-OG1 2.99Å; T667-K669 VanDerWaalsContact C-N 3.32Å; T667-K669 PolarHBondContact O-N 2.86Å
668	K	53.5	Low	55.3	Low	161 Å²	161	127.8 Å²	127.8	70%	0.7	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	3	179.6	-70.6	174.2	-176.7	162.5	0	115.7	D664 N666	D664-K668 WeakPolarHBondContact O-CG 3.3Å; N666-K668 VanDerWaalsContact C-N 3.28Å; N666-K668 PolarHBondContact O-N 3.33Å
669	K	52.5	Low	54.3	Low	157 Å²	157	129.4 Å²	129.4	68%	0.683	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-5.7	-178	-80.2	178.9	179.6	173.8	0	115.7	N666 T667	N666-K669 PolarHBondContact O-N 2.87Å; T667-K669 VanDerWaalsContact C-N 3.32Å; T667-K669 PolarHBondContact O-N 2.86Å
670	N	53.5	Low	53.8	Low	144 Å²	144	130.1 Å²	130.1	77%	0.77	68%	0.675	S	S	*	*	S	Bend	trans	-99.5	15.5	-171.4	-68	-5.7	0	0	0	114.8
671	T	53.2	Low	52.9	Low	126 Å²	126	132.2 Å²	132.2	77%	0.773	69%	0.685	S	S	*	*			trans	-136.9	57.7	-171.9	23.8	0	0	0	0	114
672	C	43.1	Very low	52.3	Low	124 Å²	124	134.5 Å²	134.5	84%	0.838	70%	0.696	S	S	*	*			trans	-153.2	135	158.1	-154.9	0	0	0	0	111.7
673	C	49.6	Very low	51.8	Low	132 Å²	132	133.4 Å²	133.4	89%	0.892	70%	0.701	S	S	*	*			trans	96.3	92.9	-174.2	-64.5	0	0	0	0	116.1
674	R	43	Very low	51.4	Low	324 Å²	324	136.5 Å²	136.5	100%	1.223	72%	0.716	S	S	*	*			trans	-142	0	154	-153.3	-178.1	-159.9	-173.7	7.5	108.6

Retrieved 674 of 674 residues in 1095.5 ms (Link to these results)

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