X5LVA3_CAEEL Loading...

poly(ADP-ribose) glycohydrolase

AlphaFold DB , UniProt , Accession X5LVA3, Species CAEEL (Caenorhabditis elegans), Gene parg-1, Length 784 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	38.9	Very low	237 Å²	237	124 Å²	124	100%	1.167	67%	0.666	S	S	*	*				0	119.5	0	-71.1	175.4	-84.6	0	0	107.6
2	S	33.8	Very low	38.9	Very low	111 Å²	111	114.6 Å²	114.6	78%	0.776	62%	0.616	S	S	*	*			trans	-85.6	118.4	178.5	49.1	0	0	0	0	109.6	K4	S2-K4 PolarHBondContact O-N 2.88Å
3	K	35	Very low	39.2	Very low	113 Å²	113	111.2 Å²	111.2	49%	0.491	60%	0.601	S	S	.	*			trans	-58.5	135.8	170.4	-70.7	-170.6	168.1	-162.6	0	109.6	F5 T381	K3-F5 HydrophobicContact CB-CE2 4.49Å; K3-F5 HydrophobicContact CB-CZ 4.44Å; K3-F5 PolarHBondContact O-N 2.95Å; K3-T381 PolarHBondContact NZ-OG1 3.32Å
4	K	41	Very low	39.2	Very low	156 Å²	156	112.1 Å²	112.1	68%	0.678	60%	0.6	S	S	*	*			trans	-83.7	103.1	170.9	-77.7	-175	176.8	178.9	0	108.3	S2 I6 D379	S2-K4 PolarHBondContact O-N 2.88Å; K4-I6 PolarHBondContact O-N 3.47Å; K4-D379 PolarHBondContact N-O 3.23Å
5	F	43.6	Very low	39.2	Very low	142 Å²	142	109.8 Å²	109.8	62%	0.623	59%	0.588	S	S	*	*			trans	-71.7	126.5	166.4	-60.7	-76.4	0	0	0	108.6	K3	K3-F5 HydrophobicContact CB-CE2 4.49Å; K3-F5 HydrophobicContact CB-CZ 4.44Å; K3-F5 PolarHBondContact O-N 2.95Å
6	I	44.2	Very low	39.4	Very low	83 Å²	83	106.4 Å²	106.4	43%	0.426	57%	0.567	S	S	.	*			trans	-110	105.8	169.5	-63	-175.4	0	0	0	106.5	K4 I380	K4-I6 PolarHBondContact O-N 3.47Å; I6-I380 HydrophobicContact CB-CG2 4.19Å; I6-I380 HydrophobicContact CD1-CD1 4.34Å; I6-I380 HydrophobicContact CD1-CG2 3.49Å; I6-I380 VanDerWaalsContact CD1-CG2 3.49Å; I6-I380 HydrophobicContact CG1-CG2 3.81Å
7	E	41.4	Very low	39.3	Very low	174 Å²	174	104.6 Å²	104.6	81%	0.813	55%	0.553	S	S	*	*			trans	-68.6	132.9	149.8	-70.9	172.8	175.1	0	0	106.3	G9	E7-G9 VanDerWaalsContact C-N 3.3Å; E7-G9 PolarHBondContact O-N 3.22Å
8	L	42.5	Very low	39.6	Very low	74 Å²	74	100.4 Å²	100.4	39%	0.387	53%	0.531	S	S	.	.			trans	-72	88.6	-176	-83.3	168.4	0	0	0	109.7	D10 Y382	L8-D10 PolarHBondContact O-N 2.97Å; L8-D10 VanDerWaalsContact O-N 3.1Å; L8-Y382 HydrophobicContact CD1-CE1 4.1Å; L8-Y382 HydrophobicContact CD2-CE1 4.31Å; L8-Y382 HydrophobicContact CG-CE1 4.19Å
9	G	39.6	Very low	39.9	Very low	72 Å²	72	95.9 Å²	95.9	74%	0.742	51%	0.506	S	S	*	.			trans	-64.5	103	165	0	0	0	0	0	109.7	E7 P11	E7-G9 VanDerWaalsContact C-N 3.3Å; E7-G9 PolarHBondContact O-N 3.22Å; G9-P11 WeakPolarHBondContact O-CD 3.3Å
10	D	38.9	Very low	40.2	Very low	83 Å²	83	93.7 Å²	93.7	44%	0.444	49%	0.493	S	S	.	.			trans	-51.9	121.5	-168.5	-73.6	-41.7	0	0	0	117.5	L8 V12 K17	L8-D10 PolarHBondContact O-N 2.97Å; L8-D10 VanDerWaalsContact O-N 3.1Å; D10-V12 HydrophobicContact CB-CB 3.7Å; D10-V12 HydrophobicContact CB-CG2 3.52Å; D10-V12 PolarHBondContact O-N 2.67Å; D10-V12 VanDerWaalsContact OD1-CG2 3.22Å; D10-V12 WeakPolarHBondContact OD1-CG2 3.37Å; D10-K17 PolarHBondContact O-NZ 3.35Å
11	P	35.6	Very low	40.2	Very low	119 Å²	119	95 Å²	95	77%	0.773	50%	0.5	S	S	*	.			trans	-82.1	36.1	147.7	38.5	-34.4	0	0	0	111	G9	G9-P11 WeakPolarHBondContact O-CD 3.3Å
12	V	39.3	Very low	40.6	Very low	11 Å²	11	87.7 Å²	87.7	7%	0.067	46%	0.46	C	S	.	.			trans	-68.7	130.1	171.1	173.1	0	0	0	0	107.9	D10 E16 K17	D10-V12 HydrophobicContact CB-CB 3.7Å; D10-V12 HydrophobicContact CB-CG2 3.52Å; D10-V12 PolarHBondContact O-N 2.67Å; D10-V12 VanDerWaalsContact OD1-CG2 3.22Å; D10-V12 WeakPolarHBondContact OD1-CG2 3.37Å; V12-E16 HydrophobicContact CG1-CB 3.24Å; V12-E16 HydrophobicContact CG1-CG 4.27Å; V12-K17 HydrophobicContact CB-CD 4.37Å; V12-K17 HydrophobicContact CB-CG 4.28Å; V12-K17 HydrophobicContact CG1-CB 4.25Å; V12-K17 HydrophobicContact CG1-CD 4.37Å; V12-K17 HydrophobicContact CG1-CG 3.82Å
13	T	42.1	Very low	40.8	Very low	70 Å²	70	83.5 Å²	83.5	43%	0.429	43%	0.43	S	S	.	.			trans	-61.4	153.7	178.3	58.9	0	0	0	0	110.5	D15 E16 K17	T13-D15 PolarHBondContact O-N 2.85Å; T13-E16 WeakPolarHBondContact CB-OE2 3.24Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.4Å; T13-E16 PolarHBondContact N-OE2 2.63Å; T13-E16 PolarHBondContact O-N 3.23Å; T13-E16 VanDerWaalsContact O-N 3.11Å; T13-E16 WeakPolarHBondContact OG1-CB 3.38Å; T13-E16 VanDerWaalsContact OG1-CG 3.31Å; T13-E16 WeakPolarHBondContact OG1-CG 3.16Å; T13-E16 PolarHBondContact OG1-N 3.26Å; T13-E16 PolarHBondContact OG1-OE2 2.85Å; T13-K17 PolarHBondContact O-N 2.77Å
14	Q	39.2	Very low	40.7	Very low	125 Å²	125	81.2 Å²	81.2	58%	0.584	44%	0.439	S	S	*	.	H	α-helix	trans	-57.7	-36.7	-178.3	-171	62.2	49.2	0	0	111.6	K17 D18	Q14-K17 PolarHBondContact O-N 2.92Å; Q14-D18 PolarHBondContact NE2-OD1 3.01Å; Q14-D18 WeakPolarHBondContact O-CB 3.44Å; Q14-D18 PolarHBondContact O-N 3.12Å
15	D	39.4	Very low	40.4	Very low	77 Å²	77	78.7 Å²	78.7	41%	0.412	44%	0.436	S	S	.	.	H	α-helix	trans	-73.5	-30.8	178.5	-61	-60.5	0	0	0	113.8	T13 Y19 K638	T13-D15 PolarHBondContact O-N 2.85Å; D15-Y19 VanDerWaalsContact O-CB 3.26Å; D15-Y19 WeakPolarHBondContact O-CB 3.37Å; D15-Y19 PolarHBondContact O-N 2.84Å; D15-K638 IonicContact OD1-NZ 2.71Å; D15-K638 PolarHBondContact OD1-NZ 2.72Å
16	E	42.8	Very low	39.6	Very low	55 Å²	55	73.9 Å²	73.9	26%	0.257	43%	0.426	S	S	.	.	H	α-helix	trans	-68.1	-37.6	167.1	-78.1	167.3	110.8	0	0	111.4	V12 T13 Y19 E20 R462	V12-E16 HydrophobicContact CG1-CB 3.24Å; V12-E16 HydrophobicContact CG1-CG 4.27Å; T13-E16 WeakPolarHBondContact CB-OE2 3.24Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.4Å; T13-E16 PolarHBondContact N-OE2 2.63Å; T13-E16 PolarHBondContact O-N 3.23Å; T13-E16 VanDerWaalsContact O-N 3.11Å; T13-E16 WeakPolarHBondContact OG1-CB 3.38Å; T13-E16 VanDerWaalsContact OG1-CG 3.31Å; T13-E16 WeakPolarHBondContact OG1-CG 3.16Å; T13-E16 PolarHBondContact OG1-N 3.26Å; T13-E16 PolarHBondContact OG1-OE2 2.85Å; E16-Y19 WeakPolarHBondContact O-CB 3.12Å; E16-Y19 PolarHBondContact O-N 2.82Å; E16-E20 PolarHBondContact O-N 3.35Å; E16-R462 IonicContact OE1-NH1 2.65Å; E16-R462 PolarHBondContact OE1-NH1 3.41Å
17	K	37.7	Very low	38.8	Very low	76 Å²	76	78.7 Å²	78.7	33%	0.33	45%	0.445	S	S	.	.	H	α-helix	trans	-67.1	-47.4	177.7	-107.3	161.7	-174.1	156.8	0	111.7	D10 V12 T13 Q14 Y19 E20 D21	D10-K17 PolarHBondContact O-NZ 3.35Å; V12-K17 HydrophobicContact CB-CD 4.37Å; V12-K17 HydrophobicContact CB-CG 4.28Å; V12-K17 HydrophobicContact CG1-CB 4.25Å; V12-K17 HydrophobicContact CG1-CD 4.37Å; V12-K17 HydrophobicContact CG1-CG 3.82Å; T13-K17 PolarHBondContact O-N 2.77Å; Q14-K17 PolarHBondContact O-N 2.92Å; K17-Y19 PolarHBondContact O-N 3.48Å; K17-E20 PolarHBondContact O-N 3.37Å; K17-E20 VanDerWaalsContact O-N 3.17Å; K17-D21 PolarHBondContact O-N 3.44Å
18	D	44.2	Very low	38.1	Very low	29 Å²	29	73 Å²	73	16%	0.155	43%	0.428	C	S	.	.	H	α-helix	trans	-60.1	-35.6	173.3	-64.3	-8.8	0	0	0	110.4	Q14 Y22 K638	Q14-D18 PolarHBondContact NE2-OD1 3.01Å; Q14-D18 WeakPolarHBondContact O-CB 3.44Å; Q14-D18 PolarHBondContact O-N 3.12Å; D18-Y22 WeakPolarHBondContact O-CB 3.5Å; D18-Y22 WeakPolarHBondContact O-CD2 3.22Å; D18-Y22 PolarHBondContact O-N 3.08Å; D18-Y22 VanDerWaalsContact O-N 3.1Å; D18-K638 WeakPolarHBondContact OD2-CE 3.42Å; D18-K638 IonicContact OD2-NZ 3.45Å; D18-K638 PolarHBondContact OD2-NZ 3.23Å
19	Y	45.1	Very low	37.8	Very low	16 Å²	16	76.1 Å²	76.1	6%	0.063	44%	0.44	C	S	.	.	H	α-helix	trans	-66.1	-44.3	173.6	-175.8	-110.9	0	0	0	112.9	D15 E16 K17 Y22 V23 V555 E558 A686 F687	D15-Y19 VanDerWaalsContact O-CB 3.26Å; D15-Y19 WeakPolarHBondContact O-CB 3.37Å; D15-Y19 PolarHBondContact O-N 2.84Å; E16-Y19 WeakPolarHBondContact O-CB 3.12Å; E16-Y19 PolarHBondContact O-N 2.82Å; K17-Y19 PolarHBondContact O-N 3.48Å; Y19-Y22 PolarHBondContact O-N 3.36Å; Y19-V23 HydrophobicContact CD1-CG2 4.41Å; Y19-V23 HydrophobicContact CD2-CG2 4.37Å; Y19-V23 HydrophobicContact CE1-CG2 4.2Å; Y19-V23 HydrophobicContact CE2-CG2 4.17Å; Y19-V23 WeakPolarHBondContact O-CB 3.03Å; Y19-V23 VanDerWaalsContact O-CG2 3.26Å; Y19-V23 WeakPolarHBondContact O-CG2 3.46Å; Y19-V23 PolarHBondContact O-N 3.27Å; Y19-V555 WeakPolarHBondContact OH-CG2 3.32Å; Y19-E558 VanDerWaalsContact CE1-OE1 3.25Å; Y19-E558 WeakPolarHBondContact CE1-OE1 3.48Å; Y19-E558 PolarHBondContact OH-OE1 3.25Å; Y19-E558 PolarHBondContact OH-OE2 3.2Å; Y19-A686 HydrophobicContact CD2-CB 4.32Å; Y19-A686 HydrophobicContact CE2-CB 4.19Å; Y19-F687 HydrophobicContact CD2-CD1 4.47Å; Y19-F687 AromaticContact CD2-CE1 3.8Å; Y19-F687 HydrophobicContact CD2-CE1 3.8Å; Y19-F687 AromaticContact CE2-CE1 3.85Å; Y19-F687 HydrophobicContact CE2-CE1 3.85Å
20	E	46	Very low	37.2	Very low	50 Å²	50	81.8 Å²	81.8	23%	0.234	45%	0.447	C	S	.	.	H	α-helix	trans	-67.6	-41.4	178.6	-71	-165.8	-172.6	0	0	112.7	E16 K17 Y22 V23 G24 N551 H552	E16-E20 PolarHBondContact O-N 3.35Å; K17-E20 PolarHBondContact O-N 3.37Å; K17-E20 VanDerWaalsContact O-N 3.17Å; E20-Y22 PolarHBondContact O-N 3.17Å; E20-V23 PolarHBondContact O-N 3.08Å; E20-G24 PolarHBondContact O-N 3.22Å; E20-N551 WeakPolarHBondContact OE1-CB 3.24Å; E20-N551 PolarHBondContact OE1-ND2 3.22Å; E20-H552 IonicContact OE1-ND1 3.4Å; E20-H552 IonicContact OE2-CE1 2.68Å; E20-H552 IonicContact OE2-ND1 3.19Å; E20-H552 PolarHBondContact OE2-ND1 3.06Å
21	D	40.7	Very low	36.8	Very low	123 Å²	123	83.9 Å²	83.9	66%	0.658	46%	0.462	S	S	*	.	H	α-helix	trans	-61.1	-42.1	173.9	-85.7	-20.7	0	0	0	111.8	K17 G24 V25	K17-D21 PolarHBondContact O-N 3.44Å; D21-G24 PolarHBondContact O-N 3.1Å; D21-V25 WeakPolarHBondContact O-CG2 3.22Å
22	Y	40	Very low	36.4	Very low	82 Å²	82	83.8 Å²	83.8	32%	0.322	46%	0.462	S	S	.	.	H	α-helix	trans	-72.3	-36	178.2	-87.7	-107.4	0	0	0	113.3	D18 Y19 E20 G24 V25 N688	D18-Y22 WeakPolarHBondContact O-CB 3.5Å; D18-Y22 WeakPolarHBondContact O-CD2 3.22Å; D18-Y22 PolarHBondContact O-N 3.08Å; D18-Y22 VanDerWaalsContact O-N 3.1Å; Y19-Y22 PolarHBondContact O-N 3.36Å; E20-Y22 PolarHBondContact O-N 3.17Å; Y22-G24 PolarHBondContact O-N 2.8Å; Y22-V25 PolarHBondContact O-N 3.48Å; Y22-N688 WeakPolarHBondContact CE1-ND2 3.24Å
23	V	39.4	Very low	35.7	Very low	23 Å²	23	89.6 Å²	89.6	14%	0.139	50%	0.497	C	S	.	.	H	α-helix	trans	-64	-29.7	175.1	167.4	0	0	0	0	111.4	Y19 E20 V25 G26 A686	Y19-V23 HydrophobicContact CD1-CG2 4.41Å; Y19-V23 HydrophobicContact CD2-CG2 4.37Å; Y19-V23 HydrophobicContact CE1-CG2 4.2Å; Y19-V23 HydrophobicContact CE2-CG2 4.17Å; Y19-V23 WeakPolarHBondContact O-CB 3.03Å; Y19-V23 VanDerWaalsContact O-CG2 3.26Å; Y19-V23 WeakPolarHBondContact O-CG2 3.46Å; Y19-V23 PolarHBondContact O-N 3.27Å; E20-V23 PolarHBondContact O-N 3.08Å; V23-V25 PolarHBondContact O-N 3.42Å; V23-G26 PolarHBondContact O-N 2.83Å; V23-A686 HydrophobicContact CG2-CB 4.42Å
24	G	31.9	Very low	35	Very low	66 Å²	66	95.3 Å²	95.3	68%	0.68	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.4	173.7	0	0	0	0	0	115.3	E20 D21 Y22	E20-G24 PolarHBondContact O-N 3.22Å; D21-G24 PolarHBondContact O-N 3.1Å; Y22-G24 PolarHBondContact O-N 2.8Å
25	V	33.8	Very low	34.3	Very low	103 Å²	103	98.8 Å²	98.8	62%	0.624	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	6.7	-174.8	-145.1	0	0	0	0	113.6	D21 Y22 V23 F27	D21-V25 WeakPolarHBondContact O-CG2 3.22Å; Y22-V25 PolarHBondContact O-N 3.48Å; V23-V25 PolarHBondContact O-N 3.42Å; V25-F27 PolarHBondContact O-N 2.81Å; V25-F27 VanDerWaalsContact O-N 3.13Å
26	G	27.9	Very low	33.7	Very low	40 Å²	40	107 Å²	107	41%	0.412	56%	0.56	S	S	.	*			trans	-66.1	108	-177.3	0	0	0	0	0	113.8	V23 A28 H599	V23-G26 PolarHBondContact O-N 2.83Å; G26-A28 PolarHBondContact O-N 2.91Å; G26-H599 PolarHBondContact O-CE1 3.38Å
27	F	27.6	Very low	32.9	Very low	185 Å²	185	115.6 Å²	115.6	81%	0.811	59%	0.59	S	S	*	*			trans	-60.5	122.3	176.1	-83.1	-91.6	0	0	0	112.1	V25 H29	V25-F27 PolarHBondContact O-N 2.81Å; V25-F27 VanDerWaalsContact O-N 3.13Å; F27-H29 PolarHBondContact O-N 3.3Å; F27-H29 PolarHBondContact O-ND1 2.76Å
28	A	27.1	Very low	32.3	Very low	55 Å²	55	121.8 Å²	121.8	46%	0.455	62%	0.617	S	S	.	*			trans	-60.8	124.2	179.2	0	0	0	0	0	111.4	G26 Q30 T600	G26-A28 PolarHBondContact O-N 2.91Å; A28-Q30 PolarHBondContact O-N 3.2Å; A28-Q30 VanDerWaalsContact O-N 3.17Å; A28-T600 HydrophobicContact CB-CG2 4.29Å
29	H	36.1	Very low	31.5	Very low	139 Å²	139	128.4 Å²	128.4	64%	0.644	65%	0.652	S	S	*	*			trans	-74.1	106.7	177.6	-67.8	28.2	0	0	0	109.1	F27 V31	F27-H29 PolarHBondContact O-N 3.3Å; F27-H29 PolarHBondContact O-ND1 2.76Å; H29-V31 PolarHBondContact O-N 3.21Å; H29-V31 VanDerWaalsContact O-N 3.09Å
30	Q	25.9	Very low	30.7	Very low	190 Å²	190	133.7 Å²	133.7	89%	0.888	69%	0.685	S	S	*	*			trans	-70.9	105.2	178.5	-69.9	-170.7	0.8	0	0	110.7	A28	A28-Q30 PolarHBondContact O-N 3.2Å; A28-Q30 VanDerWaalsContact O-N 3.17Å
31	V	30.5	Very low	29.7	Very low	128 Å²	128	139 Å²	139	78%	0.776	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-58	127.2	164.8	180	0	0	0	0	108.3	H29 T33	H29-V31 PolarHBondContact O-N 3.21Å; H29-V31 VanDerWaalsContact O-N 3.09Å; V31-T33 PolarHBondContact O-N 3.4Å
32	P	26.7	Very low	29.2	Very low	116 Å²	116	141.8 Å²	141.8	75%	0.753	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-59.4	122.8	-174.5	-27.3	35.3	0	0	0	112.8	M34	P32-M34 PolarHBondContact O-N 3.34Å
33	T	25.5	Very low	28.5	Very low	133 Å²	133	140.9 Å²	140.9	82%	0.816	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-64.4	124.9	173.5	43.3	0	0	0	0	110.1	V31 K35	V31-T33 PolarHBondContact O-N 3.4Å; T33-K35 PolarHBondContact O-N 3.24Å
34	M	26.6	Very low	27.9	Very low	190 Å²	190	147.2 Å²	147.2	94%	0.936	77%	0.768	S	S	*	*			trans	-62	112.1	177.7	-77.6	-163.5	179.1	0	0	110.3	P32 R36	P32-M34 PolarHBondContact O-N 3.34Å; M34-R36 PolarHBondContact O-N 3.35Å
35	K	25.9	Very low	27.6	Very low	199 Å²	199	149.1 Å²	149.1	87%	0.865	77%	0.766	S	S	*	*			trans	-57.8	109.7	172.6	-70.7	-178	177.1	178.4	0	109.5	T33 R37	T33-K35 PolarHBondContact O-N 3.24Å; K35-R37 PolarHBondContact O-N 2.98Å
36	R	25.5	Very low	27.3	Very low	249 Å²	249	149.6 Å²	149.6	94%	0.94	77%	0.77	S	S	*	*			trans	-51.6	110.5	169.3	-88.9	-177.6	167	177	-4.3	108.9	M34 K38	M34-R36 PolarHBondContact O-N 3.35Å; R36-K38 PolarHBondContact O-N 3.11Å
37	R	26.9	Very low	27.4	Very low	236 Å²	236	155.7 Å²	155.7	89%	0.891	79%	0.787	S	S	*	*			trans	-66.4	129.4	166.1	-80.6	-176.7	167.9	-179.1	-4.9	108.1	K35 L39	K35-R37 PolarHBondContact O-N 2.98Å; R37-L39 PolarHBondContact O-N 2.9Å
38	K	25.9	Very low	27.4	Very low	205 Å²	205	151.6 Å²	151.6	89%	0.891	78%	0.782	S	S	*	*			trans	-60.5	124.9	163	-70.6	-176	175.3	-176	0	107.7	R36	R36-K38 PolarHBondContact O-N 3.11Å
39	L	26.9	Very low	27.5	Very low	169 Å²	169	156.5 Å²	156.5	89%	0.885	79%	0.793	S	S	*	*			trans	-104.8	127.9	162.9	-91.7	162.7	0	0	0	107.2	R37	R37-L39 PolarHBondContact O-N 2.9Å
40	T	27.1	Very low	27.1	Very low	126 Å²	126	156.6 Å²	156.6	77%	0.773	79%	0.793	S	S	*	*			trans	-82	129.5	177	44.5	0	0	0	0	110.4
41	E	26.6	Very low	27.3	Very low	163 Å²	163	155 Å²	155	76%	0.762	79%	0.791	S	S	*	*			trans	20	123.4	145.2	-67	171.1	-162.3	0	0	119
42	H	28.4	Very low	28.2	Very low	181 Å²	181	153.8 Å²	153.8	84%	0.838	79%	0.786	S	S	*	*				-172.4	137.9	103.8	-104.3	59.2	0	0	0	113.2
43	G	25.5	Very low	28.4	Very low	63 Å²	63	156.3 Å²	156.3	65%	0.649	79%	0.788	S	S	*	*			trans	86.6	105.1	141.9	0	0	0	0	0	120.8
44	N	26.6	Very low	28.6	Very low	156 Å²	156	157.6 Å²	157.6	83%	0.834	78%	0.784	S	S	*	*			trans	65.3	146.8	135.3	-65.7	4.3	0	0	0	119.8
45	T	27	Very low	29.6	Very low	105 Å²	105	152.5 Å²	152.5	64%	0.644	77%	0.765	S	S	*	*			cis	-163.5	155.9	-8.3	14.4	0	0	0	0	108.8
46	T	27.8	Very low	30	Very low	114 Å²	114	151 Å²	151	70%	0.699	76%	0.759	S	S	*	*			trans	59.6	144.1	153.1	52.1	0	0	0	0	118.4
47	E	28.5	Very low	30.3	Very low	168 Å²	168	143.1 Å²	143.1	79%	0.785	74%	0.742	S	S	*	*			cis	-164.7	153.9	-1.8	-126.4	169.5	170.8	0	0	109.9
48	S	27.5	Very low	30.7	Very low	99 Å²	99	142 Å²	142	69%	0.692	74%	0.738	S	S	*	*			trans	41.9	147.2	145.1	68.5	0	0	0	0	122.8
49	K	29.9	Very low	31	Very low	157 Å²	157	137.7 Å²	137.7	68%	0.683	72%	0.724	S	S	*	*			cis	-171.9	162.6	0.8	-118.3	166.2	155.1	-117.9	0	110.9
50	E	28.5	Very low	31	Very low	141 Å²	141	135.7 Å²	135.7	66%	0.659	72%	0.719	S	S	*	*			trans	58.3	103.3	143.9	-71.6	154.5	173.6	0	0	121.4
51	D	29.5	Very low	31.1	Very low	156 Å²	156	138.6 Å²	138.6	83%	0.834	72%	0.721	S	S	*	*				14.6	156.2	103.5	-78.7	-53.6	0	0	0	119.5
52	P	49.1	Very low	31.2	Very low	103 Å²	103	136.7 Å²	136.7	67%	0.669	72%	0.72	S	S	*	*			cis	-155.7	-179.6	42.8	44.7	-23.2	0	0	0	120.7
53	E	30.5	Very low	31.2	Very low	170 Å²	170	133 Å²	133	79%	0.794	72%	0.716	S	S	*	*			trans	68.7	108	141.7	-82.5	170.6	-151.1	0	0	122.7
54	E	31.1	Very low	31.5	Very low	160 Å²	160	134.8 Å²	134.8	75%	0.748	72%	0.718	S	S	*	*				24.3	154.9	99.7	-108.8	-148.8	-124.2	0	0	119.5	K56	E54-K56 PolarHBondContact OE2-N 2.97Å
55	P	47.4	Very low	31.5	Very low	83 Å²	83	135.8 Å²	135.8	54%	0.539	72%	0.717	S	S	.	*				-163.1	173.3	55.1	46.4	-24.7	0	0	0	122.4
56	K	33.2	Very low	31.7	Very low	166 Å²	166	135.6 Å²	135.6	72%	0.722	72%	0.72	S	S	*	*			trans	70.9	151.2	140.8	-77.2	149.5	-152.4	142.7	0	122.4	E54	E54-K56 PolarHBondContact OE2-N 2.97Å
57	S	33.4	Very low	31.9	Very low	85 Å²	85	134.4 Å²	134.4	59%	0.594	72%	0.716	S	S	*	*			cis	179.3	171.3	-24.6	51.8	0	0	0	0	113.7
58	R	33.3	Very low	31.9	Very low	212 Å²	212	132.5 Å²	132.5	80%	0.8	71%	0.712	S	S	*	*			trans	82.7	151.1	155.1	-60.9	-162.2	143.9	107.3	7.5	120.5
59	D	32.8	Very low	32.1	Very low	114 Å²	114	136.4 Å²	136.4	61%	0.61	72%	0.719	S	S	*	*			cis	-160.6	156.2	-25.7	-91.5	-22.2	0	0	0	105.1
60	V	27.9	Very low	32.2	Very low	127 Å²	127	132.7 Å²	132.7	77%	0.77	71%	0.713	S	S	*	*				176.3	117.4	82.5	163.8	0	0	0	0	104.9
61	F	27.6	Very low	32.3	Very low	187 Å²	187	133.3 Å²	133.3	82%	0.82	72%	0.716	S	S	*	*				55.6	132.4	93.8	-93.4	-123.7	0	0	0	113.8
62	V	29	Very low	32.4	Very low	123 Å²	123	133.1 Å²	133.1	75%	0.745	71%	0.71	S	S	*	*			cis	-153.3	162.4	10.6	179.1	0	0	0	0	105.2
63	S	29	Very low	31.5	Very low	105 Å²	105	135 Å²	135	73%	0.734	71%	0.714	S	S	*	*			cis	-168.4	178.7	21	18.1	0	0	0	0	107.7
64	S	31.6	Very low	31.5	Very low	99 Å²	99	132.9 Å²	132.9	69%	0.692	72%	0.718	S	S	*	*			cis	179.5	160.8	-26.5	60.3	0	0	0	0	109
65	Q	28	Very low	31.5	Very low	178 Å²	178	129.8 Å²	129.8	83%	0.832	72%	0.72	S	S	*	*			trans	68.7	123.2	176	-66.9	-179.8	-33.4	0	0	114.6
66	S	30.1	Very low	30.7	Very low	101 Å²	101	135.6 Å²	135.6	71%	0.706	74%	0.74	S	S	*	*			cis	87.2	133.8	44.5	74.7	0	0	0	0	113.3
67	S	31.9	Very low	30.8	Very low	88 Å²	88	134.7 Å²	134.7	62%	0.615	74%	0.743	S	S	*	*			cis	-169	-174.6	-0.2	39.4	0	0	0	0	111.6
68	D	27.6	Very low	31.5	Very low	128 Å²	128	135.2 Å²	135.2	68%	0.684	75%	0.745	S	S	*	*			trans	82.3	122.5	154.8	-48.7	-39.2	0	0	0	117.1
69	E	33.2	Very low	31.3	Very low	182 Å²	182	133.1 Å²	133.1	85%	0.85	74%	0.744	S	S	*	*				76.6	142.4	70.8	-76.1	-168.6	178.8	0	0	113.7
70	S	31.3	Very low	31.2	Very low	79 Å²	79	134.6 Å²	134.6	55%	0.552	75%	0.75	S	S	*	*			cis	-165.3	175.8	-6.6	55.5	0	0	0	0	110.7
71	Q	31.4	Very low	31.1	Very low	153 Å²	153	132.7 Å²	132.7	72%	0.715	75%	0.748	S	S	*	*			trans	65.4	161	144.7	-83.5	170.7	-56.2	0	0	120.1
72	E	31.6	Very low	31.2	Very low	152 Å²	152	131.8 Å²	131.8	71%	0.71	74%	0.744	S	S	*	*			cis	-153.8	-175	-18.8	-142.3	153.5	-136.1	0	0	111.4
73	D	29.3	Very low	31.3	Very low	143 Å²	143	132.4 Å²	132.4	77%	0.765	74%	0.738	S	S	*	*			trans	-29.7	146.7	175.1	-67.2	-26.4	0	0	0	119.9
74	S	30.1	Very low	31.3	Very low	125 Å²	125	133.8 Å²	133.8	87%	0.874	74%	0.742	S	S	*	*				172.8	166.8	104.2	47.3	0	0	0	0	112.3
75	A	32	Very low	31.1	Very low	96 Å²	96	132.7 Å²	132.7	79%	0.793	74%	0.735	S	S	*	*			trans	-135.3	118.6	175.4	0	0	0	0	0	110.7
76	E	30.4	Very low	31.2	Very low	204 Å²	204	132 Å²	132	95%	0.953	73%	0.731	S	S	*	*			trans	-157.4	157.2	161	-123	167.6	-149.3	0	0	111.8
77	N	35.4	Very low	31.2	Very low	148 Å²	148	133.5 Å²	133.5	79%	0.791	73%	0.731	S	S	*	*			trans	-144.5	139.7	-179.5	-174.1	53.7	0	0	0	103.3
78	P	47.5	Very low	31	Very low	96 Å²	96	134.1 Å²	134.1	62%	0.623	74%	0.735	S	S	*	*				-157	-178	50.8	42.5	-20.1	0	0	0	119
79	E	29.5	Very low	31.2	Very low	167 Å²	167	135.3 Å²	135.3	78%	0.78	74%	0.736	S	S	*	*			trans	73.4	153.7	137.1	-101.6	-177.4	167.4	0	0	124.9
80	I	29.9	Very low	31.1	Very low	145 Å²	145	132 Å²	132	74%	0.744	72%	0.724	S	S	*	*			trans	77	82.1	157	-61.5	153.8	0	0	0	119.3
81	A	27.1	Very low	30.9	Very low	87 Å²	87	135.3 Å²	135.3	72%	0.719	74%	0.735	S	S	*	*				57	158.9	112.5	0	0	0	0	0	124.5
82	K	30.4	Very low	30.9	Very low	169 Å²	169	132.9 Å²	132.9	74%	0.735	73%	0.731	S	S	*	*			trans	79.3	145.7	166.9	-66.4	-175.3	152.3	-120.1	0	116.7
83	E	30.8	Very low	31	Very low	135 Å²	135	133.6 Å²	133.6	63%	0.631	73%	0.734	S	S	*	*			cis	-163.9	163.1	-5.4	-121.9	167.2	170.5	0	0	112.5
84	V	27.9	Very low	31.1	Very low	134 Å²	134	131.7 Å²	131.7	81%	0.812	73%	0.728	S	S	*	*			trans	70.6	146	146	163.2	0	0	0	0	117
85	S	27.8	Very low	31	Very low	77 Å²	77	131.8 Å²	131.8	54%	0.538	72%	0.718	S	S	.	*			cis	-144.3	163.8	9.6	89.2	0	0	0	0	114.2
86	E	30.3	Very low	31	Very low	163 Å²	163	135.7 Å²	135.7	76%	0.762	72%	0.717	S	S	*	*			trans	48.4	157.1	134.6	-57	153.7	157.5	0	0	121.2
87	N	30.4	Very low	31	Very low	133 Å²	133	132.2 Å²	132.2	71%	0.711	70%	0.703	S	S	*	*			cis	-163.7	163.7	25.5	-140.5	-19.5	0	0	0	113.8
88	C	27.7	Very low	30.7	Very low	101 Å²	101	130.2 Å²	130.2	68%	0.682	70%	0.701	S	S	*	*			trans	60.6	159	156.2	-63.8	0	0	0	0	122
89	E	31.8	Very low	29.9	Very low	152 Å²	152	132.1 Å²	132.1	71%	0.71	71%	0.706	S	S	*	*			cis	-170.5	164.3	-41.3	-143.1	-179.5	-136	0	0	110.9
90	N	29.7	Very low	29.9	Very low	113 Å²	113	130.2 Å²	130.2	60%	0.604	70%	0.7	S	S	*	*			trans	71.9	116.9	161.7	-57.5	-44.1	0	0	0	118.8
91	L	28.8	Very low	29.9	Very low	148 Å²	148	131.1 Å²	131.1	78%	0.775	70%	0.701	S	S	*	*				75	137.8	72.5	-65.5	174.5	0	0	0	113.3
92	T	31.6	Very low	30.1	Very low	103 Å²	103	131.5 Å²	131.5	63%	0.632	70%	0.698	S	S	*	*			cis	-160.8	150.4	9.2	-0.3	0	0	0	0	112.3
93	E	32	Very low	30	Very low	167 Å²	167	130.5 Å²	130.5	78%	0.78	70%	0.7	S	S	*	*			trans	51.2	155.4	137.9	-68.6	-169	132.4	0	0	123.1
94	T	31.3	Very low	29.9	Very low	102 Å²	102	129.8 Å²	129.8	63%	0.626	70%	0.7	S	S	*	*			cis	-162.3	162.6	3	8.4	0	0	0	0	114.5
95	L	28.5	Very low	29.9	Very low	127 Å²	127	129.6 Å²	129.6	67%	0.665	70%	0.695	S	S	*	*			trans	67.5	117.3	148.6	-62.6	162.6	0	0	0	120.3
96	K	31.5	Very low	30	Very low	178 Å²	178	131.3 Å²	131.3	77%	0.774	70%	0.702	S	S	*	*				80.4	151.6	81.7	-78	-168.2	-165.5	168.7	0	116
97	I	30.8	Very low	29.8	Very low	132 Å²	132	128.8 Å²	128.8	68%	0.677	70%	0.698	S	S	*	*			cis	-165.6	143.2	-22	-110.6	173.1	0	0	0	108.7
98	S	30.2	Very low	29.8	Very low	106 Å²	106	129.3 Å²	129.3	74%	0.741	70%	0.696	S	S	*	*			trans	171.9	124.2	144.9	29.2	0	0	0	0	108.6
99	N	30.3	Very low	29.7	Very low	136 Å²	136	134.1 Å²	134.1	73%	0.727	70%	0.7	S	S	*	*				72.6	131.6	68.7	-69.7	26.9	0	0	0	112.1
100	I	29.3	Very low	29.6	Very low	127 Å²	127	131.2 Å²	131.2	65%	0.651	70%	0.696	S	S	*	*			cis	-156.5	166.1	11.3	-131.2	162.9	0	0	0	112.6
101	E	29.2	Very low	29.6	Very low	164 Å²	164	133.7 Å²	133.7	77%	0.766	70%	0.704	S	S	*	*			trans	-4.1	160.8	155.6	-63.6	159.2	175.9	0	0	121.3
102	S	31.1	Very low	29.7	Very low	94 Å²	94	133.9 Å²	133.9	66%	0.657	70%	0.701	S	S	*	*			cis	-173.7	167	-17.2	60.1	0	0	0	0	111.4
103	L	28.9	Very low	29.5	Very low	148 Å²	148	134.5 Å²	134.5	78%	0.775	71%	0.705	S	S	*	*			trans	42.7	141.2	148.1	-90.3	79.2	0	0	0	123.5
104	D	28.9	Very low	29.3	Very low	120 Å²	120	133.3 Å²	133.3	64%	0.642	70%	0.703	S	S	*	*			trans	81.9	101.8	134.4	-80.3	39.2	0	0	0	124.3
105	N	28.3	Very low	29.2	Very low	131 Å²	131	134.2 Å²	134.2	70%	0.701	70%	0.704	S	S	*	*				84.1	142.9	108	-89.3	-38.3	0	0	0	123.3
106	V	28.4	Very low	29.3	Very low	113 Å²	113	133.7 Å²	133.7	69%	0.685	70%	0.702	S	S	*	*			trans	84.9	100.3	136.7	163.6	0	0	0	0	120.3
107	T	27.8	Very low	29.4	Very low	110 Å²	110	131.3 Å²	131.3	68%	0.675	69%	0.693	S	S	*	*			trans	77.2	125.1	132.9	61.8	0	0	0	0	123.9
108	E	29.1	Very low	29.3	Very low	143 Å²	143	132.6 Å²	132.6	67%	0.668	69%	0.694	S	S	*	*				79.3	152.1	125.9	-78.1	-166.1	-177.3	0	0	122.8
109	R	27.1	Very low	29.3	Very low	203 Å²	203	132.9 Å²	132.9	77%	0.766	70%	0.695	S	S	*	*			trans	72.4	111.1	153.8	-79.1	168.5	-145.6	-119.4	-4.7	116.4
110	S	28.4	Very low	29.2	Very low	90 Å²	90	133.4 Å²	133.4	63%	0.629	70%	0.704	S	S	*	*				72.5	137.6	75.6	81.2	0	0	0	0	111.3
111	E	29.3	Very low	29.5	Very low	165 Å²	165	136.1 Å²	136.1	77%	0.771	71%	0.714	S	S	*	*			cis	-164.8	-157.3	8.1	-132	165.8	-145.4	0	0	108.2
112	H	30.7	Very low	30.8	Very low	152 Å²	152	133.7 Å²	133.7	70%	0.704	71%	0.713	S	S	*	*			trans	-8.5	134.7	158.6	-61.2	-72.7	0	0	0	118.1
113	T	27.7	Very low	30.6	Very low	117 Å²	117	136.5 Å²	136.5	72%	0.718	72%	0.717	S	S	*	*				-159.6	152.1	68.2	22.2	0	0	0	0	111
114	L	28.5	Very low	30.7	Very low	142 Å²	142	137.1 Å²	137.1	74%	0.743	72%	0.716	S	S	*	*				42.7	136.2	90.9	-51.4	174.2	0	0	0	113.3
115	D	29.6	Very low	30.9	Very low	120 Å²	120	139.5 Å²	139.5	64%	0.642	72%	0.723	S	S	*	*			cis	-165.4	166.3	17	-150.3	-2.9	0	0	0	112.3
116	N	30.5	Very low	31.2	Very low	116 Å²	116	139.2 Å²	139.2	62%	0.62	72%	0.722	S	S	*	*			trans	53.2	154.4	151.3	-82	-56	0	0	0	120.2
117	H	32.5	Very low	31.5	Very low	129 Å²	129	139.4 Å²	139.4	60%	0.597	72%	0.723	S	S	*	*			cis	-160.6	163.7	20.1	-136.2	20.7	0	0	0	111.9
118	K	30.1	Very low	31.8	Very low	159 Å²	159	138.8 Å²	138.8	69%	0.691	72%	0.715	S	S	*	*			trans	21.9	118.9	148.7	-68.1	167.9	-175.8	154.8	0	119.7
119	S	29.2	Very low	31.8	Very low	111 Å²	111	139.7 Å²	139.7	78%	0.776	73%	0.725	S	S	*	*				73.8	109	73.6	-58.2	0	0	0	0	116
120	T	28.5	Very low	32.3	Very low	148 Å²	148	137.1 Å²	137.1	91%	0.908	72%	0.719	S	S	*	*			trans	-171.4	142.7	134.3	26	0	0	0	0	111.7
121	E	35.7	Very low	32.5	Very low	183 Å²	183	138.3 Å²	138.3	86%	0.855	73%	0.728	S	S	*	*			trans	-89.5	-161.4	167.1	-55.7	-177.7	133.1	0	0	109.1
122	P	55.6	Low	32.6	Very low	114 Å²	114	136.5 Å²	136.5	74%	0.74	72%	0.723	S	S	*	*			cis	-144.9	-150.3	5.6	42.8	-18.6	0	0	0	116.1
123	M	27.3	Very low	32.6	Very low	152 Å²	152	137.2 Å²	137.2	75%	0.749	73%	0.73	S	S	*	*			trans	86.9	118	175.2	-60.7	-170.3	78.1	0	0	115.9
124	E	31.9	Very low	32.7	Very low	162 Å²	162	138.1 Å²	138.1	76%	0.757	73%	0.731	S	S	*	*				86.4	140.4	57.8	-76.6	169.4	-179.6	0	0	112.1
125	E	32.7	Very low	32.8	Very low	170 Å²	170	138.2 Å²	138.2	79%	0.794	74%	0.737	S	S	*	*			cis	-140.2	143.9	9.9	-108.1	169.2	160.6	0	0	109.3
126	D	34	Very low	32.9	Very low	125 Å²	125	136.7 Å²	136.7	67%	0.668	74%	0.741	S	S	*	*				72	147.8	92.3	-150.3	32.4	0	0	0	114.9
127	V	35.2	Very low	33	Very low	116 Å²	116	138.9 Å²	138.9	70%	0.703	75%	0.751	S	S	*	*				-168.8	127.1	69	163	0	0	0	0	113.7
128	N	35.2	Very low	32.9	Very low	98 Å²	98	139.5 Å²	139.5	52%	0.524	76%	0.759	S	S	.	*			trans	46.5	140.3	146.6	-86.3	-91.7	0	0	0	125.4	K130	N128-K130 VanDerWaalsContact OD1-CE 3.3Å; N128-K130 WeakPolarHBondContact OD1-CE 3.38Å; N128-K130 WeakPolarHBondContact OD1-CG 3.31Å
129	N	29.1	Very low	33	Very low	162 Å²	162	136.6 Å²	136.6	87%	0.866	76%	0.759	S	S	*	*				-154.2	164.9	101.6	-136	-29.6	0	0	0	114.6
130	K	37.5	Very low	33	Very low	149 Å²	149	138.7 Å²	138.7	65%	0.648	76%	0.761	S	S	*	*			trans	-118.8	154.8	-151.4	-58	175.5	177.8	178.4	0	117.7	N128	N128-K130 VanDerWaalsContact OD1-CE 3.3Å; N128-K130 WeakPolarHBondContact OD1-CE 3.38Å; N128-K130 WeakPolarHBondContact OD1-CG 3.31Å
131	S	31.9	Very low	33.3	Very low	115 Å²	115	139.9 Å²	139.9	80%	0.804	76%	0.757	S	S	*	*				169.3	123.3	120.3	37.8	0	0	0	0	110
132	N	32.2	Very low	33.4	Very low	127 Å²	127	138.5 Å²	138.5	68%	0.679	76%	0.755	S	S	*	*				83.6	111.6	53.3	-83.9	67.8	0	0	0	115.3
133	I	30.3	Very low	32.2	Very low	166 Å²	166	141 Å²	141	85%	0.851	76%	0.762	S	S	*	*				-171.2	151.2	122	-96.8	160.2	0	0	0	109.7
134	D	30.3	Very low	32.5	Very low	136 Å²	136	141.6 Å²	141.6	73%	0.727	76%	0.763	S	S	*	*			trans	-96.6	168	-158.7	-42.7	-97.7	0	0	0	115.7
135	V	29.7	Very low	32.5	Very low	144 Å²	144	140.6 Å²	140.6	87%	0.873	76%	0.762	S	S	*	*				-173.1	141.1	118.4	146.1	0	0	0	0	109.5
136	A	32.2	Very low	32.5	Very low	89 Å²	89	137.9 Å²	137.9	74%	0.736	76%	0.757	S	S	*	*			trans	-142	149	177.8	0	0	0	0	0	111.8
137	I	31.3	Very low	32.4	Very low	161 Å²	161	138.5 Å²	138.5	83%	0.826	76%	0.759	S	S	*	*			trans	-142.5	152.3	166.1	-62.6	-173.4	0	0	0	108
138	N	31.2	Very low	32.1	Very low	143 Å²	143	141 Å²	141	77%	0.765	76%	0.763	S	S	*	*			trans	-98.2	-161.9	-163.2	-51.8	-26.2	0	0	0	114.1
139	S	31.1	Very low	32.2	Very low	98 Å²	98	144.4 Å²	144.4	69%	0.685	78%	0.776	S	S	*	*			trans	82.7	139.4	154.5	59.6	0	0	0	0	119.7
140	D	29.4	Very low	32.5	Very low	154 Å²	154	142.8 Å²	142.8	82%	0.824	77%	0.768	S	S	*	*			cis	-157.8	-179.3	-13.7	-99.2	-22.2	0	0	0	110.5
141	E	35.4	Very low	32.2	Very low	174 Å²	174	141.3 Å²	141.3	81%	0.813	77%	0.767	S	S	*	*			trans	-72.9	162.6	-171.3	-60.8	168	144.7	0	0	116.2
142	D	37.7	Very low	32.4	Very low	153 Å²	153	143.9 Å²	143.9	82%	0.818	76%	0.764	S	S	*	*			trans	22.9	141.6	147	-55.5	-17.1	0	0	0	123.2
143	D	30.2	Very low	32.4	Very low	168 Å²	168	144.4 Å²	144.4	90%	0.898	76%	0.762	S	S	*	*				-158.3	168.8	127.8	-136	-27.4	0	0	0	113.6
144	E	34.9	Very low	32.4	Very low	163 Å²	163	144.1 Å²	144.1	76%	0.762	76%	0.759	S	S	*	*			trans	-109.8	-165.2	-159.8	-157.7	-177	-141.9	0	0	114.7
145	L	32.1	Very low	32.5	Very low	142 Å²	142	147.4 Å²	147.4	74%	0.743	76%	0.761	S	S	*	*			trans	86.2	146.3	158.9	-53.3	179.3	0	0	0	119.9
146	V	31.7	Very low	32.6	Very low	112 Å²	112	147.7 Å²	147.7	68%	0.679	76%	0.758	S	S	*	*			cis	-169.7	157.2	-25.2	79.6	0	0	0	0	112.4
147	L	31.1	Very low	32.4	Very low	138 Å²	138	146.7 Å²	146.7	72%	0.723	76%	0.756	S	S	*	*			trans	63.5	159.2	162.5	-58.5	175.3	0	0	0	118.7
148	E	30.1	Very low	32.4	Very low	169 Å²	169	146.9 Å²	146.9	79%	0.79	75%	0.753	S	S	*	*			cis	-148.1	178.3	0.4	-142.9	159	-131.7	0	0	112.8
149	E	36.5	Very low	32.3	Very low	169 Å²	169	147.5 Å²	147.5	79%	0.79	75%	0.752	S	S	*	*			trans	-102.8	175.5	-164.1	-58.9	-176.6	111.1	0	0	117.8
150	N	35.1	Very low	32.3	Very low	129 Å²	129	147.4 Å²	147.4	69%	0.69	75%	0.747	S	S	*	*			trans	117.5	141.2	150.3	-67.8	-81.5	0	0	0	116.1
151	N	32.6	Very low	32.2	Very low	118 Å²	118	147.7 Å²	147.7	63%	0.631	74%	0.743	S	S	*	*			cis	-159.2	140.9	7.7	-134.9	-40.7	0	0	0	113.2
152	K	36.3	Very low	31.9	Very low	169 Å²	169	146.2 Å²	146.2	74%	0.735	74%	0.736	S	S	*	*			trans	49.9	161	144.2	-82.7	177.5	163.6	-142.8	0	122.3
153	E	31	Very low	31.4	Very low	138 Å²	138	145.4 Å²	145.4	65%	0.645	73%	0.731	S	S	*	*			cis	-150.3	179.6	4.5	-141.7	163.6	-131.2	0	0	112.4
154	M	30.6	Very low	31.2	Very low	160 Å²	160	142.4 Å²	142.4	79%	0.788	72%	0.724	S	S	*	*			trans	-107.2	164	-173	-50.5	-171.6	-53.2	0	0	115.9
155	R	31.4	Very low	30.9	Very low	205 Å²	205	142.2 Å²	142.2	77%	0.774	72%	0.722	S	S	*	*				-172.2	141.5	128.2	-107.9	166.7	-78.4	-164.5	-5.7	116.3
156	D	31.9	Very low	30.7	Very low	149 Å²	149	141 Å²	141	80%	0.797	72%	0.717	S	S	*	*			trans	12.2	150.9	145.4	-34.3	-26.6	0	0	0	121
157	G	28.7	Very low	30.4	Very low	68 Å²	68	142 Å²	142	70%	0.701	72%	0.717	S	S	*	*			cis	166.4	165	-3.3	0	0	0	0	0	114
158	E	30.8	Very low	30.3	Very low	165 Å²	165	144.1 Å²	144.1	77%	0.771	72%	0.721	S	S	*	*			trans	59.2	119.7	155.4	-57.6	-147.3	109.4	0	0	121.5
159	Q	30.6	Very low	30.2	Very low	157 Å²	157	139.9 Å²	139.9	73%	0.734	72%	0.715	S	S	*	*				81.1	149.5	94.4	-69.6	-150.3	62.9	0	0	115.7
160	V	29.8	Very low	29.9	Very low	96 Å²	96	138.8 Å²	138.8	58%	0.582	72%	0.715	S	S	*	*			cis	-171.5	152.4	-15.8	121.6	0	0	0	0	110.2
161	Q	28.3	Very low	29.7	Very low	160 Å²	160	139 Å²	139	75%	0.748	72%	0.716	S	S	*	*			trans	61.4	176.2	158.6	-84	169.5	-4.8	0	0	119.6
162	Q	28.4	Very low	29.6	Very low	142 Å²	142	141.7 Å²	141.7	66%	0.664	73%	0.725	S	S	*	*			cis	-163.3	158.7	-41.7	-120.9	177.9	-24.6	0	0	111
163	L	27.7	Very low	29.4	Very low	137 Å²	137	141.4 Å²	141.4	72%	0.717	73%	0.726	S	S	*	*			trans	61.7	164.4	143.9	-74.1	165.6	0	0	0	123.4
164	S	26.5	Very low	29.1	Very low	105 Å²	105	141.1 Å²	141.1	73%	0.734	73%	0.728	S	S	*	*			trans	64.8	134.8	175.6	54.1	0	0	0	0	117.4
165	Q	27.7	Very low	29	Very low	158 Å²	158	139.5 Å²	139.5	74%	0.738	72%	0.721	S	S	*	*			cis	88.5	117.2	28.5	-73.3	-168.1	-100.7	0	0	116.9
166	D	27.3	Very low	28.6	Very low	118 Å²	118	137.8 Å²	137.8	63%	0.631	72%	0.722	S	S	*	*				88.4	109.6	129.6	-62.6	-0.6	0	0	0	123
167	L	25.8	Very low	28.6	Very low	131 Å²	131	141.2 Å²	141.2	69%	0.686	73%	0.726	S	S	*	*				92.6	152.6	127.2	-67.7	168.5	0	0	0	122.6
168	F	28.6	Very low	29.1	Very low	183 Å²	183	143.4 Å²	143.4	80%	0.803	73%	0.728	S	S	*	*			trans	75	118.5	170.1	-53.1	-64.9	0	0	0	116.1
169	A	28.2	Very low	29	Very low	80 Å²	80	138.8 Å²	138.8	66%	0.661	72%	0.724	S	S	*	*				91.2	144.6	55.4	0	0	0	0	0	111.8
170	D	31.5	Very low	28.8	Very low	147 Å²	147	139.5 Å²	139.5	79%	0.786	73%	0.731	S	S	*	*			cis	-157	-173	11.8	-126.9	-26.8	0	0	0	113.3
171	D	30.7	Very low	28.8	Very low	134 Å²	134	143 Å²	143	72%	0.717	74%	0.743	S	S	*	*			trans	75.9	102.5	150.1	-75.4	-15.2	0	0	0	124.1
172	Q	30.5	Very low	28.8	Very low	173 Å²	173	144.7 Å²	144.7	81%	0.808	75%	0.748	S	S	*	*				157.2	106.7	115.7	-85.9	178.4	8	0	0	111
173	E	30.7	Very low	28.8	Very low	163 Å²	163	144.5 Å²	144.5	76%	0.762	75%	0.751	S	S	*	*				70.9	136.9	81.7	-71.8	-153.6	139.9	0	0	115.9
174	L	26.1	Very low	28.8	Very low	132 Å²	132	144.4 Å²	144.4	69%	0.691	76%	0.757	S	S	*	*			cis	-168.7	167.4	-18.9	-115.2	-178.9	0	0	0	110.4
175	I	27.2	Very low	28.7	Very low	126 Å²	126	144.9 Å²	144.9	65%	0.646	76%	0.756	S	S	*	*			trans	78.6	106.6	148.1	-72.4	164.1	0	0	0	123
176	E	23.3	Very low	28.6	Very low	170 Å²	170	142.9 Å²	142.9	79%	0.794	75%	0.754	S	S	*	*				74.5	144.6	124	-57.5	-175.1	157.5	0	0	128.4
177	Y	32.2	Very low	28.5	Very low	220 Å²	220	145 Å²	145	86%	0.863	76%	0.76	S	S	*	*			trans	-55.9	-168.7	163.6	-64.1	-89.7	0	0	0	115.6
178	P	38.6	Very low	28.5	Very low	115 Å²	115	144.7 Å²	144.7	75%	0.747	76%	0.759	S	S	*	*			cis	-134.8	-161.7	1	47.1	-29.2	0	0	0	113.8
179	G	28.7	Very low	28.3	Very low	67 Å²	67	142.1 Å²	142.1	69%	0.691	75%	0.753	S	S	*	*			cis	113.7	94.8	-14.5	0	0	0	0	0	118
180	I	28	Very low	28.2	Very low	172 Å²	172	145 Å²	145	88%	0.882	76%	0.756	S	S	*	*			trans	-163.5	163	170.1	-106.4	150.7	0	0	0	114.5
181	M	28.4	Very low	28.1	Very low	169 Å²	169	143.2 Å²	143.2	83%	0.833	75%	0.75	S	S	*	*			trans	-106.2	164.8	-176.2	-44.3	162.8	-178.2	0	0	114
182	K	29.1	Very low	28.1	Very low	197 Å²	197	143.6 Å²	143.6	86%	0.857	75%	0.752	S	S	*	*				173.3	170.7	119.6	-98	179.6	178.1	-176.2	0	116.6
183	D	28.2	Very low	28.1	Very low	137 Å²	137	140.1 Å²	140.1	73%	0.733	75%	0.747	S	S	*	*			trans	-78.5	154.2	-172.1	-36.1	-101.5	0	0	0	115.8
184	T	27.1	Very low	28.3	Very low	135 Å²	135	141.1 Å²	141.1	83%	0.828	75%	0.752	S	S	*	*				175.7	141.2	108.2	28	0	0	0	0	116.2
185	T	25.3	Very low	28.4	Very low	116 Å²	116	140.6 Å²	140.6	71%	0.712	75%	0.754	S	S	*	*			trans	17.6	142.1	144.5	-18.7	0	0	0	0	125.1
186	T	25.5	Very low	28.5	Very low	115 Å²	115	142.3 Å²	142.3	71%	0.706	76%	0.759	S	S	*	*			trans	87.3	123.3	140.3	21.6	0	0	0	0	124.3
187	Q	24.9	Very low	28.6	Very low	163 Å²	163	139.9 Å²	139.9	76%	0.762	76%	0.756	S	S	*	*			trans	73.7	122.8	135.4	-82.3	178.3	-6.7	0	0	124.8
188	L	25.6	Very low	28.4	Very low	125 Å²	125	133.9 Å²	133.9	65%	0.654	75%	0.752	S	S	*	*				69.7	131.9	129.6	-65.1	166.6	0	0	0	122.5
189	D	24.7	Very low	27.8	Very low	128 Å²	128	136.9 Å²	136.9	68%	0.684	76%	0.756	S	S	*	*			trans	63	152.3	132.9	-61.4	-0.2	0	0	0	120.5
190	I	25.6	Very low	27.7	Very low	142 Å²	142	142.4 Å²	142.4	73%	0.728	76%	0.761	S	S	*	*			cis	-151.2	-179.4	-12.9	-116.6	166.4	0	0	0	109.6
191	T	29.1	Very low	27.5	Very low	108 Å²	108	140.3 Å²	140.3	66%	0.663	75%	0.749	S	S	*	*			trans	-63.6	168.8	-177.1	50.9	0	0	0	0	116.7
192	D	32.1	Very low	27.5	Very low	142 Å²	142	139.3 Å²	139.3	76%	0.759	74%	0.743	S	S	*	*				177.4	171.1	109.6	-90.1	-7.4	0	0	0	116.5
193	S	29.4	Very low	27.2	Very low	100 Å²	100	137.7 Å²	137.7	70%	0.699	74%	0.74	S	S	*	*			trans	71.7	110.6	-175.7	64.5	0	0	0	0	116
194	E	34.5	Very low	27.1	Very low	184 Å²	184	138 Å²	138	86%	0.86	74%	0.74	S	S	*	*				84.1	142.1	54.8	-65.5	171.2	150.7	0	0	112
195	V	28.4	Very low	26.9	Very low	121 Å²	121	140.4 Å²	140.4	73%	0.733	74%	0.742	S	S	*	*			cis	-149.8	127.1	42.4	159.7	0	0	0	0	108.3
196	E	29.8	Very low	27.1	Very low	163 Å²	163	143.6 Å²	143.6	76%	0.762	75%	0.749	S	S	*	*				73.8	145.5	88.2	-113.7	-151.1	130.3	0	0	115.1
197	T	26.4	Very low	27	Very low	119 Å²	119	145.1 Å²	145.1	73%	0.73	76%	0.758	S	S	*	*			cis	-152.1	178.4	-2.1	-24.3	0	0	0	0	110.3
198	A	27.8	Very low	27.2	Very low	93 Å²	93	146.8 Å²	146.8	77%	0.769	77%	0.766	S	S	*	*			trans	-136	167.9	-171.7	0	0	0	0	0	116.3
199	Q	24.8	Very low	27.2	Very low	179 Å²	179	145.4 Å²	145.4	84%	0.836	77%	0.772	S	S	*	*			trans	-150	130.4	166.5	-92.7	167.1	31.3	0	0	108.8
200	K	27.1	Very low	27.1	Very low	182 Å²	182	146.6 Å²	146.6	79%	0.791	78%	0.779	S	S	*	*				73.3	143.7	77.2	-75.4	-173	161.9	-159.3	0	114
201	M	24.3	Very low	27.1	Very low	128 Å²	128	144.1 Å²	144.1	63%	0.631	77%	0.774	S	S	*	*			cis	-157.3	153.2	10.8	-128	158	88.9	0	0	113.6
202	E	27.7	Very low	27	Very low	149 Å²	149	145.4 Å²	145.4	70%	0.696	78%	0.782	S	S	*	*			trans	44.6	136.8	138	-76.1	170.5	-163.2	0	0	126.5
203	M	22.6	Very low	26.5	Very low	163 Å²	163	147.5 Å²	147.5	80%	0.803	79%	0.785	S	S	*	*			trans	57.2	133.8	131.6	-57.9	-80.4	-76.5	0	0	122.3
204	I	25.5	Very low	26.4	Very low	143 Å²	143	148.6 Å²	148.6	73%	0.733	79%	0.787	S	S	*	*				170.8	132.6	115.5	-90.6	169.2	0	0	0	113.7
205	E	24.4	Very low	26	Very low	185 Å²	185	142.7 Å²	142.7	86%	0.864	78%	0.775	S	S	*	*			trans	44.2	151.3	149.4	-61.5	174.5	148.8	0	0	125.7
206	E	28.6	Very low	26	Very low	184 Å²	184	146 Å²	146	86%	0.86	78%	0.783	S	S	*	*			trans	-79.8	168.7	167.2	-57.3	161.8	131.1	0	0	111.2
207	T	24.4	Very low	26	Very low	146 Å²	146	144.5 Å²	144.5	90%	0.896	78%	0.78	S	S	*	*			trans	-157.4	127.6	152.8	-12.9	0	0	0	0	112.3
208	E	27.3	Very low	26.3	Very low	198 Å²	198	141.6 Å²	141.6	93%	0.925	76%	0.764	S	S	*	*			trans	-93.1	141	169.5	-59.4	-178	126.2	0	0	111.1
209	A	25.8	Very low	26.5	Very low	96 Å²	96	145 Å²	145	79%	0.793	76%	0.762	S	S	*	*			trans	-173.5	118.3	149.5	0	0	0	0	0	107.2
210	D	23.2	Very low	26.8	Very low	153 Å²	153	142 Å²	142	82%	0.818	75%	0.752	S	S	*	*				86.3	157.6	50.8	-168.3	35.9	0	0	0	113.3
211	S	25.9	Very low	27.1	Very low	91 Å²	91	139.4 Å²	139.4	64%	0.636	74%	0.742	S	S	*	*			trans	73.6	103.8	-173.8	73.9	0	0	0	0	114.6
212	T	25.9	Very low	27.3	Very low	135 Å²	135	142.1 Å²	142.1	83%	0.828	75%	0.746	S	S	*	*				68.5	153.5	82	61.6	0	0	0	0	114.7
213	F	23.2	Very low	27.5	Very low	186 Å²	186	142.7 Å²	142.7	82%	0.816	75%	0.748	S	S	*	*			cis	-174.5	172.3	-22.1	175.5	-115	0	0	0	106.5
214	V	27	Very low	27.9	Very low	122 Å²	122	140.7 Å²	140.7	74%	0.739	75%	0.75	S	S	*	*			trans	69.7	134.8	-178.7	-162.5	0	0	0	0	114.1
215	G	26.7	Very low	27.9	Very low	60 Å²	60	136.6 Å²	136.6	62%	0.619	74%	0.743	S	S	*	*			cis	155.2	165.6	-7	0	0	0	0	0	112
216	E	28.5	Very low	28.1	Very low	190 Å²	190	134.4 Å²	134.4	89%	0.888	74%	0.742	S	S	*	*			trans	64.3	150.9	169.2	-70	178.6	-174	0	0	116.1
217	D	28.8	Very low	28	Very low	132 Å²	132	131.2 Å²	131.2	71%	0.706	74%	0.736	S	S	*	*			cis	-161.5	167.3	-26.9	-143.1	4.8	0	0	0	104.6	K219	D217-K219 IonicContact OD2-NZ 3.53Å
218	S	32.3	Very low	28.2	Very low	58 Å²	58	128.5 Å²	128.5	41%	0.406	72%	0.723	S	S	.	*			cis	-168.1	150.9	-0.5	-143.5	0	0	0	0	111.4
219	K	33.1	Very low	28.2	Very low	166 Å²	166	126 Å²	126	72%	0.722	72%	0.716	S	S	*	*			trans	64.1	153.8	145.1	-67.8	157.9	-165.2	117	0	117.1	D217	D217-K219 IonicContact OD2-NZ 3.53Å
220	N	30.8	Very low	28.3	Very low	115 Å²	115	129.5 Å²	129.5	62%	0.615	72%	0.716	S	S	*	*			cis	-159	136.8	7.8	-130.7	-5	0	0	0	112.7
221	Q	32.7	Very low	28.6	Very low	128 Å²	128	127.7 Å²	127.7	60%	0.598	71%	0.71	S	S	*	*			trans	65.1	149.9	140.1	-71.1	171.5	41	0	0	119.5
222	R	29.8	Very low	28.6	Very low	184 Å²	184	130.6 Å²	130.6	69%	0.694	72%	0.719	S	S	*	*			cis	-158.6	149.3	11.2	-136	175.3	-126.6	-141.5	2.7	112.1
223	Q	31.9	Very low	28.7	Very low	162 Å²	162	127.8 Å²	127.8	76%	0.757	71%	0.709	S	S	*	*			trans	38.5	144.4	142.7	-73.2	166.5	-34.8	0	0	120.6
224	S	29.6	Very low	28.9	Very low	121 Å²	121	126.4 Å²	126.4	85%	0.846	71%	0.71	S	S	*	*			cis	-169.7	163.1	4.7	41.7	0	0	0	0	107.9
225	G	26.7	Very low	28.8	Very low	56 Å²	56	124.3 Å²	124.3	58%	0.577	70%	0.701	S	S	*	*			cis	148.7	157.5	1.9	0	0	0	0	0	110.2
226	T	28.3	Very low	28.8	Very low	139 Å²	139	129.5 Å²	129.5	85%	0.853	71%	0.709	S	S	*	*			trans	61.4	144.1	173.3	54.6	0	0	0	0	116.9
227	T	26.5	Very low	28.6	Very low	118 Å²	118	126.2 Å²	126.2	72%	0.724	70%	0.696	S	S	*	*			cis	-157.6	149.9	-2.1	4.2	0	0	0	0	109.2
228	S	27.7	Very low	28.4	Very low	88 Å²	88	126.3 Å²	126.3	62%	0.615	70%	0.697	S	S	*	*				35.3	152.7	129	85.3	0	0	0	0	121.6
229	D	27.9	Very low	28	Very low	145 Å²	145	130.5 Å²	130.5	78%	0.775	71%	0.714	S	S	*	*			cis	-140.8	179.1	19.4	-80.1	-76.4	0	0	0	113.9
230	E	28.1	Very low	27.6	Very low	170 Å²	170	126.1 Å²	126.1	79%	0.794	71%	0.708	S	S	*	*			trans	-61.4	177.7	173.9	-55.8	166.2	161.4	0	0	113.1
231	V	28.6	Very low	27.4	Very low	116 Å²	116	127.2 Å²	127.2	70%	0.703	72%	0.719	S	S	*	*			cis	-157.1	161	25.2	-136.1	0	0	0	0	111.8
232	D	26.6	Very low	27	Very low	152 Å²	152	130.7 Å²	130.7	81%	0.813	73%	0.732	S	S	*	*			trans	23	151.2	137.1	-70.3	-6	0	0	0	123.2
233	A	28.6	Very low	26.9	Very low	76 Å²	76	128.4 Å²	128.4	63%	0.628	74%	0.739	S	S	*	*			cis	-172	171.9	-12	0	0	0	0	0	110.5
234	D	25.6	Very low	26.5	Very low	156 Å²	156	126.7 Å²	126.7	83%	0.834	74%	0.74	S	S	*	*			trans	63.6	147.8	154.1	-84.3	-20.9	0	0	0	120.6
235	S	27	Very low	26.2	Very low	79 Å²	79	131.6 Å²	131.6	55%	0.552	74%	0.74	S	S	*	*			cis	-162.9	151.9	-8	49.8	0	0	0	0	112
236	Q	26	Very low	26.9	Very low	169 Å²	169	135.8 Å²	135.8	79%	0.79	75%	0.754	S	S	*	*			trans	62.8	156.9	145.2	-69.8	176.2	47.3	0	0	118
237	I	24.9	Very low	26.8	Very low	120 Å²	120	133.7 Å²	133.7	62%	0.615	75%	0.745	S	S	*	*			cis	-158	161.9	8.2	-139.7	167.4	0	0	0	111.4
238	N	24.4	Very low	27	Very low	134 Å²	134	134.3 Å²	134.3	72%	0.717	76%	0.755	S	S	*	*			trans	66.7	157.1	159.2	-77	-9	0	0	0	120.6
239	L	24.2	Very low	27	Very low	147 Å²	147	133.9 Å²	133.9	77%	0.77	75%	0.752	S	S	*	*			cis	-167.2	145.9	-21	175.5	63	0	0	0	111.1
240	A	22.9	Very low	27.2	Very low	73 Å²	73	131.1 Å²	131.1	60%	0.603	74%	0.743	S	S	*	*			trans	36.9	113.5	158.5	0	0	0	0	0	121.6
241	T	28.1	Very low	27.6	Very low	138 Å²	138	130.5 Å²	130.5	85%	0.847	74%	0.738	S	S	*	*			trans	-6.7	131	133.4	8.4	0	0	0	0	118
242	K	24.2	Very low	27.9	Very low	201 Å²	201	130.8 Å²	130.8	87%	0.874	74%	0.735	S	S	*	*			trans	-148.7	114.7	150.9	-154.1	169.7	-170	174.2	0	113.1
243	T	27.4	Very low	28.1	Very low	136 Å²	136	128.3 Å²	128.3	83%	0.834	73%	0.73	S	S	*	*			trans	-75.7	124.3	179.3	-49.1	0	0	0	0	111.5
244	V	23.3	Very low	28.4	Very low	127 Å²	127	129.2 Å²	129.2	77%	0.77	73%	0.728	S	S	*	*			trans	-136	135.9	165.8	-176.9	0	0	0	0	111.7
245	R	23.9	Very low	29	Very low	223 Å²	223	125.5 Å²	125.5	84%	0.842	71%	0.711	S	S	*	*			trans	-42.3	139	177.5	-63.7	159.5	175.5	152	-2.8	115.6
246	T	40.2	Very low	29.4	Very low	145 Å²	145	126.4 Å²	126.4	89%	0.89	72%	0.717	S	S	*	*			trans	1.6	114.9	144	53.6	0	0	0	0	117.4
247	S	26.3	Very low	29.8	Very low	95 Å²	95	125 Å²	125	66%	0.664	72%	0.72	S	S	*	*			trans	-133.1	144.5	161.5	57.8	0	0	0	0	110.2	S249	S247-S249 VanDerWaalsContact C-N 3.29Å; S247-S249 PolarHBondContact O-N 2.87Å; S247-S249 VanDerWaalsContact O-N 3.07Å
248	S	31.1	Very low	30.1	Very low	131 Å²	131	124.1 Å²	124.1	92%	0.916	72%	0.723	S	S	*	*	S	Bend	trans	-87.3	52.7	-170.3	53.9	0	0	0	0	113.3
249	S	27.9	Very low	30.5	Very low	79 Å²	79	126.3 Å²	126.3	55%	0.552	73%	0.729	S	S	*	*			trans	-116.3	5.5	-176	69.7	0	0	0	0	115.4	S247 F251	S247-S249 VanDerWaalsContact C-N 3.29Å; S247-S249 PolarHBondContact O-N 2.87Å; S247-S249 VanDerWaalsContact O-N 3.07Å; S249-F251 VanDerWaalsContact C-N 3.27Å; S249-F251 PolarHBondContact O-N 3.5Å
250	S	32.2	Very low	31	Very low	86 Å²	86	124 Å²	124	60%	0.601	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-9.9	-177	52	0	0	0	0	115.1	S253	S250-S253 PolarHBondContact O-OG 3.13Å
251	F	36.1	Very low	31.7	Very low	158 Å²	158	124.4 Å²	124.4	69%	0.693	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-13.2	-178.7	-100.8	-91.5	0	0	0	114.8	S249	S249-F251 VanDerWaalsContact C-N 3.27Å; S249-F251 PolarHBondContact O-N 3.5Å
252	L	34.6	Very low	32.2	Very low	121 Å²	121	120.4 Å²	120.4	63%	0.634	71%	0.709	S	S	*	*	S	Bend	trans	-101.4	-10.5	-174.8	-69.9	171.4	0	0	0	114.2
253	S	31.1	Very low	33.3	Very low	100 Å²	100	120.4 Å²	120.4	70%	0.699	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	0.2	-171.6	54	0	0	0	0	115.6	S250	S250-S253 PolarHBondContact O-OG 3.13Å
254	T	35.4	Very low	34.6	Very low	96 Å²	96	116.3 Å²	116.3	59%	0.589	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	2.9	-168.5	-20.3	0	0	0	0	114.5	S256	T254-S256 VanDerWaalsContact C-N 3.34Å; T254-S256 PolarHBondContact O-N 3.25Å
255	V	37.3	Very low	36.4	Very low	78 Å²	78	117.5 Å²	117.5	47%	0.473	68%	0.684	S	S	.	*	S	Bend	trans	-75.2	90.3	169.5	-174.9	0	0	0	0	108.3	T257	V255-T257 PolarHBondContact O-N 3.31Å
256	S	35.4	Very low	38.2	Very low	97 Å²	97	109 Å²	109	68%	0.678	66%	0.661	S	S	*	*			trans	-57.5	125.1	-173.1	-172.3	0	0	0	0	112.6	T254 C258	T254-S256 VanDerWaalsContact C-N 3.34Å; T254-S256 PolarHBondContact O-N 3.25Å; S256-C258 PolarHBondContact O-N 2.78Å
257	T	35.5	Very low	39.5	Very low	139 Å²	139	110.6 Å²	110.6	85%	0.853	65%	0.651	S	S	*	*			trans	-79.8	84.8	179.4	53.5	0	0	0	0	111.4	V255	V255-T257 PolarHBondContact O-N 3.31Å
258	C	30.3	Very low	41.6	Very low	102 Å²	102	110 Å²	110	69%	0.689	64%	0.639	S	S	*	*			trans	-89.6	115.9	170.6	-67.6	0	0	0	0	111.4	S256	S256-C258 PolarHBondContact O-N 2.78Å
259	E	34	Very low	43.7	Very low	180 Å²	180	104.5 Å²	104.5	84%	0.841	60%	0.598	S	S	*	*	S	Bend	trans	67.4	159.9	168	-53.2	-162.7	138	0	0	118.4
260	A	34.1	Very low	46.3	Very low	98 Å²	98	103.3 Å²	103.3	81%	0.81	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-75.2	121.3	-165.3	0	0	0	0	0	112.1	A262	A260-A262 PolarHBondContact O-N 2.79Å
261	P	37.3	Very low	48.8	Very low	83 Å²	83	105.1 Å²	105.1	54%	0.539	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-71.1	121.3	-169.2	26	-34.5	0	0	0	112.7
262	A	39.5	Very low	51.2	Low	54 Å²	54	97.9 Å²	97.9	45%	0.446	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-55.6	139.6	168.7	0	0	0	0	0	111.1	A260 G264	A260-A262 PolarHBondContact O-N 2.79Å; A262-G264 PolarHBondContact O-N 3.44Å
263	K	46.9	Very low	53.8	Low	201 Å²	201	92.5 Å²	92.5	87%	0.874	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	127.6	-167.5	-64.6	175.8	-179.6	176.5	0	113	R265	K263-R265 VanDerWaalsContact C-N 3.28Å; K263-R265 PolarHBondContact O-N 3.49Å
264	G	54.8	Low	56.6	Low	50 Å²	50	91.8 Å²	91.8	52%	0.515	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	-69	172.2	0	0	0	0	0	114.6	A262 A266 R267 M268	A262-G264 PolarHBondContact O-N 3.44Å; G264-A266 PolarHBondContact O-N 2.9Å; G264-R267 WeakPolarHBondContact O-CB 3.26Å; G264-R267 PolarHBondContact O-N 2.96Å; G264-M268 PolarHBondContact O-N 3.2Å
265	R	60.6	Low	59.3	Low	151 Å²	151	91.4 Å²	91.4	57%	0.57	50%	0.497	S	S	*	.	H	α-helix	trans	-50.9	-52.9	-163.2	-59.5	178.2	-64.3	-177.7	5.7	113.9	K263 R267 M268 E526	K263-R265 VanDerWaalsContact C-N 3.28Å; K263-R265 PolarHBondContact O-N 3.49Å; R265-R267 PolarHBondContact O-N 3.47Å; R265-M268 PolarHBondContact O-N 2.84Å; R265-E526 VanDerWaalsContact CD-CD 3.42Å; R265-E526 WeakPolarHBondContact CD-OE1 3.39Å; R265-E526 WeakPolarHBondContact CD-OE2 3.4Å; R265-E526 IonicContact CZ-OE2 2.72Å; R265-E526 IonicContact NE-OE2 3.82Å; R265-E526 IonicContact NH1-OE2 3.43Å; R265-E526 PolarHBondContact NH1-OE2 2.99Å
266	A	61.1	Low	62	Low	44 Å²	44	88 Å²	88	36%	0.364	48%	0.476	S	S	.	.	H	α-helix	trans	-61.6	-30.4	-179.3	0	0	0	0	0	113.3	G264 Q270	G264-A266 PolarHBondContact O-N 2.9Å; A266-Q270 WeakPolarHBondContact O-CB 3.23Å; A266-Q270 PolarHBondContact O-N 3.3Å
267	R	68.1	Low	64.7	Low	180 Å²	180	84.7 Å²	84.7	68%	0.679	45%	0.452	S	S	*	.	H	α-helix	trans	-73.8	-31.1	-179.4	-61.1	-176.7	177	-174.5	-3.7	113	G264 R265 K271	G264-R267 WeakPolarHBondContact O-CB 3.26Å; G264-R267 PolarHBondContact O-N 2.96Å; R265-R267 PolarHBondContact O-N 3.47Å; R267-K271 WeakPolarHBondContact O-CB 3.43Å; R267-K271 PolarHBondContact O-N 3.05Å; R267-K271 VanDerWaalsContact O-N 3.15Å
268	M	70.8	Confident	67.5	Low	82 Å²	82	81.6 Å²	81.6	40%	0.404	43%	0.429	S	S	.	.	H	α-helix	trans	-66.3	-55.1	176.9	-175.9	177.4	-178.4	0	0	109.8	G264 R265 Q270 K271 E272 E522 F524	G264-M268 PolarHBondContact O-N 3.2Å; R265-M268 PolarHBondContact O-N 2.84Å; M268-Q270 VanDerWaalsContact C-N 3.33Å; M268-Q270 PolarHBondContact O-N 2.91Å; M268-K271 WeakPolarHBondContact O-CB 3.13Å; M268-K271 PolarHBondContact O-N 3.26Å; M268-E272 PolarHBondContact O-N 3.37Å; M268-E522 HydrophobicContact CE-CG 4.3Å; M268-E522 WeakPolarHBondContact CE-OE1 3.35Å; M268-F524 HydrophobicContact CE-CD1 4.1Å; M268-F524 HydrophobicContact CE-CE1 3.7Å; M268-F524 HydrophobicContact CE-CZ 4.31Å; M268-F524 HydrophobicContact CG-CE1 4.44Å; M268-F524 HydrophobicContact SD-CD1 4.43Å; M268-F524 HydrophobicContact SD-CE1 4.34Å
269	Y	74.8	Confident	70.5	Confident	16 Å²	16	77.7 Å²	77.7	6%	0.063	40%	0.404	C	S	.	.	H	α-helix	trans	-59.9	-41.4	177.4	173.6	-94.7	0	0	0	112.7	K271 E272 L273 M527 T532 A533	Y269-K271 VanDerWaalsContact C-N 3.31Å; Y269-K271 PolarHBondContact O-N 2.88Å; Y269-E272 PolarHBondContact O-N 3.43Å; Y269-E272 VanDerWaalsContact O-N 3.14Å; Y269-L273 HydrophobicContact CE1-CB 4.11Å; Y269-L273 HydrophobicContact CE1-CD2 4.01Å; Y269-L273 PolarHBondContact O-N 3Å; Y269-M527 HydrophobicContact CD2-SD 3.63Å; Y269-M527 HydrophobicContact CE2-SD 4.37Å; Y269-M527 HydrophobicContact CG-SD 4.47Å; Y269-T532 HydrophobicContact CD2-CG2 4.41Å; Y269-T532 HydrophobicContact CE2-CG2 3.85Å; Y269-T532 WeakPolarHBondContact OH-CA 3.45Å; Y269-A533 PolarHBondContact OH-N 3.01Å
270	Q	81.8	Confident	73.3	Confident	54 Å²	54	69.3 Å²	69.3	25%	0.252	37%	0.365	S	S	.	.	H	α-helix	trans	-58	-41.6	177.4	176.9	57.5	31.9	0	0	112.5	A266 M268 E272 L273 E274	A266-Q270 WeakPolarHBondContact O-CB 3.23Å; A266-Q270 PolarHBondContact O-N 3.3Å; M268-Q270 VanDerWaalsContact C-N 3.33Å; M268-Q270 PolarHBondContact O-N 2.91Å; Q270-E272 VanDerWaalsContact C-N 3.34Å; Q270-E272 PolarHBondContact O-N 3.1Å; Q270-L273 PolarHBondContact O-N 2.91Å; Q270-E274 WeakPolarHBondContact CG-OE1 3.4Å; Q270-E274 PolarHBondContact NE2-OE1 3.4Å; Q270-E274 WeakPolarHBondContact O-CG 3.47Å; Q270-E274 PolarHBondContact O-N 3.5Å
271	K	84.9	Confident	76.1	Confident	123 Å²	123	67.6 Å²	67.6	54%	0.535	34%	0.344	S	S	.	.	H	α-helix	trans	-63.2	-39.1	176.1	-175.9	-163.7	172.5	-156	0	112.2	R267 M268 Y269 E274 K275	R267-K271 WeakPolarHBondContact O-CB 3.43Å; R267-K271 PolarHBondContact O-N 3.05Å; R267-K271 VanDerWaalsContact O-N 3.15Å; M268-K271 WeakPolarHBondContact O-CB 3.13Å; M268-K271 PolarHBondContact O-N 3.26Å; Y269-K271 VanDerWaalsContact C-N 3.31Å; Y269-K271 PolarHBondContact O-N 2.88Å; K271-E274 WeakPolarHBondContact O-CB 3.35Å; K271-E274 PolarHBondContact O-N 3.42Å; K271-K275 PolarHBondContact O-N 3.16Å
272	E	86.4	Confident	78.7	Confident	6 Å²	6	71.4 Å²	71.4	3%	0.028	36%	0.355	C	S	.	.	H	α-helix	trans	-69.2	-40.9	177	-59.8	-49	120.3	0	0	111.3	M268 Y269 Q270 E274 K275 H276 F524 H710	M268-E272 PolarHBondContact O-N 3.37Å; Y269-E272 PolarHBondContact O-N 3.43Å; Y269-E272 VanDerWaalsContact O-N 3.14Å; Q270-E272 VanDerWaalsContact C-N 3.34Å; Q270-E272 PolarHBondContact O-N 3.1Å; E272-E274 VanDerWaalsContact C-N 3.3Å; E272-E274 PolarHBondContact O-N 3.04Å; E272-K275 VanDerWaalsContact CD-CE 3.49Å; E272-K275 WeakPolarHBondContact O-CB 3.34Å; E272-K275 PolarHBondContact O-N 2.89Å; E272-K275 WeakPolarHBondContact OE1-CE 3.11Å; E272-K275 IonicContact OE1-NZ 3.08Å; E272-K275 PolarHBondContact OE1-NZ 3.13Å; E272-K275 VanDerWaalsContact OE2-CD 3.3Å; E272-K275 WeakPolarHBondContact OE2-CD 3.2Å; E272-K275 WeakPolarHBondContact OE2-CE 3.48Å; E272-K275 IonicContact OE2-NZ 3.66Å; E272-K275 PolarHBondContact OE2-NZ 2.96Å; E272-H276 PolarHBondContact O-CD2 3.22Å; E272-H276 PolarHBondContact O-N 3.4Å; E272-F524 HydrophobicContact CG-CZ 4.47Å; E272-H710 IonicContact OE2-CE1 3.95Å
273	L	89.1	Confident	81	Confident	9 Å²	9	70.1 Å²	70.1	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-58.8	-40.7	171.6	-176.7	58.5	0	0	0	112.1	Y269 Q270 H276 V277 A533 L534 F618	Y269-L273 HydrophobicContact CE1-CB 4.11Å; Y269-L273 HydrophobicContact CE1-CD2 4.01Å; Y269-L273 PolarHBondContact O-N 3Å; Q270-L273 PolarHBondContact O-N 2.91Å; L273-H276 PolarHBondContact O-N 3.05Å; L273-V277 WeakPolarHBondContact O-CG2 3.4Å; L273-V277 PolarHBondContact O-N 2.88Å; L273-A533 HydrophobicContact CD1-CB 3.93Å; L273-L534 HydrophobicContact CD1-CB 4.4Å; L273-L534 HydrophobicContact CD1-CD1 4.02Å; L273-L534 HydrophobicContact CD1-CG 4.11Å; L273-F618 HydrophobicContact CD1-CE2 3.91Å; L273-F618 HydrophobicContact CD1-CZ 3.86Å; L273-F618 HydrophobicContact CD2-CE2 4.2Å; L273-F618 HydrophobicContact CD2-CZ 4.03Å; L273-F618 HydrophobicContact CG-CZ 4.16Å
274	E	90.6	Very high	83.1	Confident	85 Å²	85	66.2 Å²	66.2	40%	0.397	34%	0.336	S	S	.	.	H	α-helix	trans	-62	-44.1	174	-74.5	161.5	-165.4	0	0	112.4	Q270 K271 E272 H276 V277 I278	Q270-E274 WeakPolarHBondContact CG-OE1 3.4Å; Q270-E274 PolarHBondContact NE2-OE1 3.4Å; Q270-E274 WeakPolarHBondContact O-CG 3.47Å; Q270-E274 PolarHBondContact O-N 3.5Å; K271-E274 WeakPolarHBondContact O-CB 3.35Å; K271-E274 PolarHBondContact O-N 3.42Å; E272-E274 VanDerWaalsContact C-N 3.3Å; E272-E274 PolarHBondContact O-N 3.04Å; E274-H276 VanDerWaalsContact C-N 3.29Å; E274-H276 PolarHBondContact O-N 3.27Å; E274-V277 PolarHBondContact O-N 3.26Å; E274-I278 WeakPolarHBondContact O-CG1 3.47Å; E274-I278 PolarHBondContact O-N 3.2Å; E274-I278 VanDerWaalsContact O-N 3.15Å
275	K	92	Very high	85	Confident	87 Å²	87	64.4 Å²	64.4	38%	0.378	32%	0.315	S	S	.	.	H	α-helix	trans	-56.2	-44.9	171.1	-64.7	-175.9	-164.4	164	0	111.1	K271 E272 I278 A279	K271-K275 PolarHBondContact O-N 3.16Å; E272-K275 VanDerWaalsContact CD-CE 3.49Å; E272-K275 WeakPolarHBondContact O-CB 3.34Å; E272-K275 PolarHBondContact O-N 2.89Å; E272-K275 WeakPolarHBondContact OE1-CE 3.11Å; E272-K275 IonicContact OE1-NZ 3.08Å; E272-K275 PolarHBondContact OE1-NZ 3.13Å; E272-K275 VanDerWaalsContact OE2-CD 3.3Å; E272-K275 WeakPolarHBondContact OE2-CD 3.2Å; E272-K275 WeakPolarHBondContact OE2-CE 3.48Å; E272-K275 IonicContact OE2-NZ 3.66Å; E272-K275 PolarHBondContact OE2-NZ 2.96Å; K275-I278 PolarHBondContact O-N 3.32Å; K275-A279 WeakPolarHBondContact O-CB 3.35Å; K275-A279 PolarHBondContact O-N 2.95Å
276	H	93.1	Very high	86.5	Confident	8 Å²	8	58.1 Å²	58.1	4%	0.037	29%	0.293	C	S	.	.	H	α-helix	trans	-68	-38.2	-177.3	-56.7	170.8	0	0	0	112	E272 L273 E274 I278 A279 F280 A533 L534 P676	E272-H276 PolarHBondContact O-CD2 3.22Å; E272-H276 PolarHBondContact O-N 3.4Å; L273-H276 PolarHBondContact O-N 3.05Å; E274-H276 VanDerWaalsContact C-N 3.29Å; E274-H276 PolarHBondContact O-N 3.27Å; H276-I278 VanDerWaalsContact C-N 3.31Å; H276-I278 PolarHBondContact O-N 2.86Å; H276-A279 PolarHBondContact O-N 2.79Å; H276-F280 WeakPolarHBondContact O-CB 3.43Å; H276-F280 WeakPolarHBondContact O-CD2 3.32Å; H276-F280 PolarHBondContact O-N 2.99Å; H276-A533 PolarHBondContact ND1-O 3.16Å; H276-L534 HydrophobicContact CB-CB 3.48Å; H276-L534 VanDerWaalsContact CB-CB 3.48Å; H276-L534 HydrophobicContact CB-CD1 4.14Å; H276-L534 HydrophobicContact CB-CG 4.46Å; H276-L534 PolarHBondContact ND1-O 2.82Å; H276-P676 VanDerWaalsContact CE1-CG 3.49Å; H276-P676 WeakPolarHBondContact CE1-CG 3.49Å; H276-P676 WeakPolarHBondContact NE2-CD 3.41Å; H276-P676 VanDerWaalsContact NE2-CG 3.33Å; H276-P676 WeakPolarHBondContact NE2-CG 3.36Å
277	V	93.6	Very high	88.1	Confident	27 Å²	27	56 Å²	56	16%	0.164	28%	0.276	C	S	.	.	H	α-helix	trans	-56.2	-47.6	172.3	169.4	0	0	0	0	110.3	L273 E274 T281 L534 F618	L273-V277 WeakPolarHBondContact O-CG2 3.4Å; L273-V277 PolarHBondContact O-N 2.88Å; E274-V277 PolarHBondContact O-N 3.26Å; V277-T281 VanDerWaalsContact O-CB 3.27Å; V277-T281 WeakPolarHBondContact O-CB 3.29Å; V277-T281 PolarHBondContact O-N 3.1Å; V277-T281 VanDerWaalsContact O-N 3.12Å; V277-T281 PolarHBondContact O-OG1 3.31Å; V277-L534 HydrophobicContact CB-CD1 4.17Å; V277-L534 HydrophobicContact CG2-CD1 3.43Å; V277-L534 VanDerWaalsContact CG2-CD1 3.43Å; V277-F618 HydrophobicContact CG2-CE1 3.81Å; V277-F618 HydrophobicContact CG2-CZ 4.35Å
278	I	93.3	Very high	89.4	Confident	73 Å²	73	50.1 Å²	50.1	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-54.3	178.3	-64.7	166.3	0	0	0	110	E274 K275 H276 F280 T281 E282	E274-I278 WeakPolarHBondContact O-CG1 3.47Å; E274-I278 PolarHBondContact O-N 3.2Å; E274-I278 VanDerWaalsContact O-N 3.15Å; K275-I278 PolarHBondContact O-N 3.32Å; H276-I278 VanDerWaalsContact C-N 3.31Å; H276-I278 PolarHBondContact O-N 2.86Å; I278-F280 PolarHBondContact O-N 3.39Å; I278-T281 PolarHBondContact O-N 3.09Å; I278-E282 VanDerWaalsContact CG2-CD 3.43Å; I278-E282 HydrophobicContact CG2-CG 4.04Å; I278-E282 PolarHBondContact O-N 3.25Å
279	A	93.4	Very high	90.6	Very high	21 Å²	21	46.2 Å²	46.2	17%	0.174	24%	0.236	C	C	.	.	H	α-helix	trans	-58.5	-41.2	-177.2	0	0	0	0	0	113.5	K275 H276 G283 N674 I675	K275-A279 WeakPolarHBondContact O-CB 3.35Å; K275-A279 PolarHBondContact O-N 2.95Å; H276-A279 PolarHBondContact O-N 2.79Å; A279-G283 WeakPolarHBondContact O-CA 3.49Å; A279-G283 PolarHBondContact O-N 2.82Å; A279-G283 VanDerWaalsContact O-N 3.07Å; A279-N674 HydrophobicContact CB-CB 4.46Å; A279-I675 HydrophobicContact CB-CD1 3.65Å
280	F	94.1	Very high	91.5	Very high	3 Å²	3	45.6 Å²	45.6	1%	0.013	23%	0.234	C	C	.	.	H	α-helix	trans	-67.7	-34.1	174.5	-95.4	-91.5	0	0	0	113.2	H276 I278 N284 L285 L287 L534 R626 F672 I675	H276-F280 WeakPolarHBondContact O-CB 3.43Å; H276-F280 WeakPolarHBondContact O-CD2 3.32Å; H276-F280 PolarHBondContact O-N 2.99Å; I278-F280 PolarHBondContact O-N 3.39Å; F280-N284 PolarHBondContact O-N 3.23Å; F280-L285 HydrophobicContact CD1-CB 3.58Å; F280-L285 HydrophobicContact CE1-CB 4.03Å; F280-L285 HydrophobicContact CG-CB 4.13Å; F280-L285 HydrophobicContact CG-CD1 4.4Å; F280-L285 PolarHBondContact O-N 3.17Å; F280-L287 HydrophobicContact CE1-CG 4.38Å; F280-L534 HydrophobicContact CD2-CB 4Å; F280-L534 HydrophobicContact CD2-CD2 4.49Å; F280-L534 HydrophobicContact CE2-CB 3.95Å; F280-L534 WeakPolarHBondContact CE2-O 3.36Å; F280-R626 HydrophobicContact CD1-CB 4.43Å; F280-R626 HydrophobicContact CD1-CG 4.34Å; F280-R626 HydrophobicContact CE1-CB 3.97Å; F280-R626 HydrophobicContact CE1-CG 4.11Å; F280-R626 HydrophobicContact CZ-CB 4.29Å; F280-F672 AromaticContact CE1-CE1 3.85Å; F280-F672 HydrophobicContact CE1-CE1 3.85Å; F280-F672 HydrophobicContact CE1-CZ 4.26Å; F280-F672 AromaticContact CZ-CE1 3.72Å; F280-F672 HydrophobicContact CZ-CE1 3.72Å; F280-I675 HydrophobicContact CD2-CD1 3.5Å; F280-I675 HydrophobicContact CD2-CG1 4.22Å; F280-I675 HydrophobicContact CE2-CD1 3.59Å; F280-I675 HydrophobicContact CE2-CG1 3.91Å; F280-I675 HydrophobicContact CE2-CG2 3.8Å; F280-I675 HydrophobicContact CG-CD1 4.47Å; F280-I675 HydrophobicContact CZ-CG2 4.3Å
281	T	91	Very high	92	Very high	62 Å²	62	44 Å²	44	38%	0.38	23%	0.228	S	C	.	.	H	α-helix	trans	-79.8	-52.5	-175.8	-56.2	0	0	0	0	111.1	V277 I278 N284	V277-T281 VanDerWaalsContact O-CB 3.27Å; V277-T281 WeakPolarHBondContact O-CB 3.29Å; V277-T281 PolarHBondContact O-N 3.1Å; V277-T281 VanDerWaalsContact O-N 3.12Å; V277-T281 PolarHBondContact O-OG1 3.31Å; I278-T281 PolarHBondContact O-N 3.09Å; T281-N284 PolarHBondContact O-N 2.93Å
282	E	91.9	Very high	92.4	Very high	163 Å²	163	42.7 Å²	42.7	76%	0.762	23%	0.226	S	C	*	.	H	α-helix	trans	-66.9	-40.6	178.6	-64.4	-176.6	166.2	0	0	112	I278 N284	I278-E282 VanDerWaalsContact CG2-CD 3.43Å; I278-E282 HydrophobicContact CG2-CG 4.04Å; I278-E282 PolarHBondContact O-N 3.25Å; E282-N284 PolarHBondContact O-N 3.27Å
283	G	89.4	Confident	92.6	Very high	28 Å²	28	50 Å²	50	29%	0.289	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-11.2	175.7	0	0	0	0	0	114.5	A279 L285	A279-G283 WeakPolarHBondContact O-CA 3.49Å; A279-G283 PolarHBondContact O-N 2.82Å; A279-G283 VanDerWaalsContact O-N 3.07Å; G283-L285 VanDerWaalsContact C-N 3.25Å; G283-L285 PolarHBondContact O-N 3.34Å
284	N	90.3	Very high	92.8	Very high	119 Å²	119	51.2 Å²	51.2	64%	0.636	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	49.4	-168.8	-168.8	-4	0	0	0	111.1	F280 T281 E282	F280-N284 PolarHBondContact O-N 3.23Å; T281-N284 PolarHBondContact O-N 2.93Å; E282-N284 PolarHBondContact O-N 3.27Å
285	L	93.9	Very high	92.9	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.063	27%	0.265	C	S	.	.			trans	-78.4	127.7	-170.7	-58	-175.2	0	0	0	110.7	F280 G283 K671 F672 I675	F280-L285 HydrophobicContact CD1-CB 3.58Å; F280-L285 HydrophobicContact CE1-CB 4.03Å; F280-L285 HydrophobicContact CG-CB 4.13Å; F280-L285 HydrophobicContact CG-CD1 4.4Å; F280-L285 PolarHBondContact O-N 3.17Å; G283-L285 VanDerWaalsContact C-N 3.25Å; G283-L285 PolarHBondContact O-N 3.34Å; L285-K671 HydrophobicContact CD2-CB 3.55Å; L285-K671 HydrophobicContact CD2-CD 4.37Å; L285-K671 WeakPolarHBondContact CD2-O 3.46Å; L285-F672 HydrophobicContact CB-CE1 4.29Å; L285-F672 HydrophobicContact CB-CE2 4.33Å; L285-F672 HydrophobicContact CB-CZ 3.92Å; L285-F672 HydrophobicContact CD1-CD1 4.4Å; L285-F672 HydrophobicContact CD1-CE1 4.38Å; L285-I675 HydrophobicContact CD1-CD1 3.83Å; L285-I675 HydrophobicContact CD1-CG1 3.48Å; L285-I675 VanDerWaalsContact CD1-CG1 3.48Å
286	T	92.6	Very high	92.9	Very high	18 Å²	18	49.2 Å²	49.2	11%	0.11	27%	0.265	C	S	.	.			trans	-122.9	125	175.3	-56.6	0	0	0	0	107.4	D290 R621 F622	T286-D290 HydrophobicContact CG2-CB 4.43Å; T286-R621 PolarHBondContact OG1-NH1 2.71Å; T286-R621 PolarHBondContact OG1-NH2 2.81Å; T286-F622 HydrophobicContact CG2-CD2 4.02Å; T286-F622 HydrophobicContact CG2-CE2 3.51Å; T286-F622 HydrophobicContact CG2-CZ 4.49Å
287	L	95.3	Very high	92.8	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-66	151.7	178.6	-72	167.6	0	0	0	110.7	F280 P289 V586 R624 R626 E628 Q668 F672	F280-L287 HydrophobicContact CE1-CG 4.38Å; L287-P289 CarbonylContact O-C 3.35Å; L287-V586 HydrophobicContact CB-CG1 3.88Å; L287-V586 HydrophobicContact CB-CG2 4.15Å; L287-V586 HydrophobicContact CD1-CG1 3.6Å; L287-V586 HydrophobicContact CD1-CG2 4.18Å; L287-V586 HydrophobicContact CG-CG1 4.39Å; L287-R624 PolarHBondContact O-NH2 3.45Å; L287-R626 HydrophobicContact CD1-CB 4.39Å; L287-E628 HydrophobicContact CD2-CB 4.36Å; L287-Q668 VanDerWaalsContact CD2-CD 3.42Å; L287-Q668 HydrophobicContact CD2-CG 3.94Å; L287-F672 HydrophobicContact CD2-CD1 4.33Å; L287-F672 HydrophobicContact CD2-CE1 3.43Å; L287-F672 VanDerWaalsContact CD2-CE1 3.43Å; L287-F672 HydrophobicContact CD2-CZ 3.7Å; L287-F672 HydrophobicContact CG-CE1 4.21Å; L287-F672 HydrophobicContact CG-CZ 4.16Å
288	Q	95.8	Very high	92.8	Very high	55 Å²	55	53.5 Å²	53.5	26%	0.257	28%	0.282	S	S	.	.	S	Bend	trans	-72.6	151.3	172.2	-66.7	-66	-1	0	0	111.5	R497	Q288-R497 PolarHBondContact O-NH1 3.15Å
289	P	95.3	Very high	92.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.	S	Bend	cis	-66	130.3	-11.9	30	-36.1	0	0	0	111.1	L287 L291 V294 R624	L287-P289 CarbonylContact O-C 3.35Å; P289-L291 HydrophobicContact CB-CD2 4.09Å; P289-L291 HydrophobicContact CG-CD2 3.91Å; P289-L291 PolarHBondContact O-N 2.85Å; P289-V294 HydrophobicContact CB-CG1 4.05Å; P289-V294 HydrophobicContact CB-CG2 4.43Å; P289-R624 PolarHBondContact O-NH1 2.84Å; P289-R624 PolarHBondContact O-NH2 3.38Å
290	D	94.4	Very high	93	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	26%	0.259	C	S	.	.			trans	-80.8	99.8	169.8	-176.9	0.9	0	0	0	108.3	T286 N292 K293 V294 R621 F622	T286-D290 HydrophobicContact CG2-CB 4.43Å; D290-N292 PolarHBondContact O-N 3.1Å; D290-K293 PolarHBondContact O-N 3.02Å; D290-K293 WeakPolarHBondContact OD2-CE 3.42Å; D290-K293 IonicContact OD2-NZ 2.66Å; D290-K293 PolarHBondContact OD2-NZ 2.83Å; D290-V294 PolarHBondContact O-N 3.36Å; D290-R621 IonicContact OD1-CZ 3.21Å; D290-R621 IonicContact OD1-NE 2.87Å; D290-R621 IonicContact OD1-NH2 3.7Å; D290-R621 PolarHBondContact OD1-NH2 2.75Å; D290-R621 IonicContact OD2-NH2 2.6Å; D290-R621 PolarHBondContact OD2-NH2 3.37Å; D290-F622 WeakPolarHBondContact OD1-CE2 3.36Å; D290-F622 VanDerWaalsContact OD1-CZ 3.28Å; D290-F622 WeakPolarHBondContact OD1-CZ 3.36Å
291	L	92.6	Very high	93.1	Very high	21 Å²	21	50.7 Å²	50.7	11%	0.11	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-4.9	-169	-52.1	-179.6	0	0	0	114.8	P289 V294 R301 I305 F308 F622	P289-L291 HydrophobicContact CB-CD2 4.09Å; P289-L291 HydrophobicContact CG-CD2 3.91Å; P289-L291 PolarHBondContact O-N 2.85Å; L291-V294 HydrophobicContact CD2-CG2 4.31Å; L291-R301 HydrophobicContact CD1-CG 4.32Å; L291-I305 HydrophobicContact CD1-CD1 3.74Å; L291-F308 HydrophobicContact CB-CE1 4.29Å; L291-F308 HydrophobicContact CB-CZ 4.06Å; L291-F308 WeakPolarHBondContact O-CZ 3.34Å; L291-F622 HydrophobicContact CB-CD1 4.09Å; L291-F622 HydrophobicContact CB-CE1 3.66Å; L291-F622 HydrophobicContact CB-CE2 4.19Å; L291-F622 HydrophobicContact CB-CZ 3.69Å; L291-F622 HydrophobicContact CD1-CB 4.28Å; L291-F622 HydrophobicContact CD1-CD1 3.9Å; L291-F622 HydrophobicContact CD1-CD2 4.45Å; L291-F622 HydrophobicContact CD1-CE1 4.35Å; L291-F622 HydrophobicContact CD1-CG 3.95Å; L291-F622 HydrophobicContact CG-CD1 4.17Å; L291-F622 HydrophobicContact CG-CD2 4.22Å; L291-F622 HydrophobicContact CG-CE1 4.19Å; L291-F622 HydrophobicContact CG-CE2 4.2Å; L291-F622 HydrophobicContact CG-CG 4.18Å; L291-F622 HydrophobicContact CG-CZ 4.18Å
292	N	91.6	Very high	93.3	Very high	94 Å²	94	49.3 Å²	49.3	50%	0.503	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-12	169.7	-67.7	-67.9	0	0	0	114.4	D290 F308 R621 F622	D290-N292 PolarHBondContact O-N 3.1Å; N292-F308 WeakPolarHBondContact OD1-CE2 3.26Å; N292-R621 PolarHBondContact ND2-NE 3.24Å; N292-R621 VanDerWaalsContact ND2-NE 3.12Å; N292-F622 WeakPolarHBondContact ND2-CZ 3.49Å
293	K	92.1	Very high	93.5	Very high	160 Å²	160	42 Å²	42	70%	0.696	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.9	1.9	-166.3	-57.4	-170.8	-173.6	118	0	114.5	D290	D290-K293 PolarHBondContact O-N 3.02Å; D290-K293 WeakPolarHBondContact OD2-CE 3.42Å; D290-K293 IonicContact OD2-NZ 2.66Å; D290-K293 PolarHBondContact OD2-NZ 2.83Å
294	V	92.1	Very high	93.6	Very high	35 Å²	35	46.9 Å²	46.9	21%	0.212	24%	0.242	C	C	.	.	S	Bend	trans	-106.4	149.2	-178.1	-65.2	0	0	0	0	110.7	P289 D290 L291 P296 N299	P289-V294 HydrophobicContact CB-CG1 4.05Å; P289-V294 HydrophobicContact CB-CG2 4.43Å; D290-V294 PolarHBondContact O-N 3.36Å; L291-V294 HydrophobicContact CD2-CG2 4.31Å; V294-P296 WeakPolarHBondContact O-CD 3.49Å; V294-N299 HydrophobicContact CB-CB 3.86Å; V294-N299 HydrophobicContact CG2-CB 3.56Å
295	D	93	Very high	93.7	Very high	71 Å²	71	41.5 Å²	41.5	38%	0.38	21%	0.213	S	C	.	.			trans	-66.6	117.4	175	174.7	5	0	0	0	110.5	D297 R298 N299	D295-D297 VanDerWaalsContact C-N 3.25Å; D295-D297 PolarHBondContact O-N 2.7Å; D295-D297 WeakPolarHBondContact OD1-CB 3.19Å; D295-D297 PolarHBondContact OD1-N 2.84Å; D295-R298 HydrophobicContact CB-CB 4.32Å; D295-R298 HydrophobicContact CB-CG 4.45Å; D295-R298 CarbonylContact O-C 3.59Å; D295-R298 PolarHBondContact O-N 3.3Å; D295-R298 WeakPolarHBondContact OD2-CD 3.31Å; D295-R298 VanDerWaalsContact OD2-CG 3.24Å; D295-R298 WeakPolarHBondContact OD2-CG 3.45Å; D295-N299 VanDerWaalsContact O-CB 3.31Å; D295-N299 WeakPolarHBondContact O-CB 3.49Å; D295-N299 PolarHBondContact O-N 3.16Å; D295-N299 PolarHBondContact O-ND2 3.09Å; D295-N299 VanDerWaalsContact O-ND2 3.14Å
296	P	91.8	Very high	93.5	Very high	59 Å²	59	46 Å²	46	38%	0.383	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.6	-178.3	31	-37	0	0	0	113.6	V294 R298 G313	V294-P296 WeakPolarHBondContact O-CD 3.49Å; P296-R298 PolarHBondContact O-N 3.34Å; P296-G313 WeakPolarHBondContact O-CA 3.27Å
297	D	92.2	Very high	93.3	Very high	52 Å²	52	53.5 Å²	53.5	28%	0.278	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-16.1	172.4	-83.4	14.5	0	0	0	112	D295 Y300 K314 R316	D295-D297 VanDerWaalsContact C-N 3.25Å; D295-D297 PolarHBondContact O-N 2.7Å; D295-D297 WeakPolarHBondContact OD1-CB 3.19Å; D295-D297 PolarHBondContact OD1-N 2.84Å; D297-Y300 WeakPolarHBondContact O-CE2 3.47Å; D297-Y300 PolarHBondContact O-OH 3.37Å; D297-Y300 VanDerWaalsContact O-OH 3.1Å; D297-K314 HydrophobicContact CB-CB 4.34Å; D297-K314 VanDerWaalsContact OD1-CB 3.24Å; D297-K314 WeakPolarHBondContact OD1-CB 3.1Å; D297-K314 PolarHBondContact OD1-N 3.21Å; D297-K314 WeakPolarHBondContact OD2-CB 3.49Å; D297-K314 WeakPolarHBondContact OD2-CD 3.41Å; D297-R316 PolarHBondContact O-NE 2.59Å; D297-R316 PolarHBondContact O-NH2 2.8Å
298	R	93.6	Very high	93	Very high	73 Å²	73	56 Å²	56	28%	0.275	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-19.1	-177.3	-59.9	177.9	70.6	-128	-11.9	112.9	D295 P296 D431 E433 S434	D295-R298 HydrophobicContact CB-CB 4.32Å; D295-R298 HydrophobicContact CB-CG 4.45Å; D295-R298 CarbonylContact O-C 3.59Å; D295-R298 PolarHBondContact O-N 3.3Å; D295-R298 WeakPolarHBondContact OD2-CD 3.31Å; D295-R298 VanDerWaalsContact OD2-CG 3.24Å; D295-R298 WeakPolarHBondContact OD2-CG 3.45Å; P296-R298 PolarHBondContact O-N 3.34Å; R298-D431 PolarHBondContact NE-O 2.94Å; R298-D431 PolarHBondContact NH2-O 2.8Å; R298-E433 HydrophobicContact CB-CG 4.49Å; R298-E433 IonicContact CZ-OE1 3.5Å; R298-E433 IonicContact CZ-OE2 3.73Å; R298-E433 IonicContact NH1-OE1 3.85Å; R298-E433 PolarHBondContact NH1-OE1 2.83Å; R298-E433 IonicContact NH1-OE2 3.02Å; R298-E433 PolarHBondContact NH1-OE2 2.7Å; R298-E433 IonicContact NH2-OE1 2.7Å; R298-E433 PolarHBondContact NH2-OE1 3.02Å; R298-E433 IonicContact NH2-OE2 3.31Å; R298-E433 PolarHBondContact O-N 2.84Å; R298-S434 PolarHBondContact O-N 2.72Å
299	N	95.1	Very high	92.6	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.037	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	85.8	-174.8	-67.8	-92	0	0	0	110.3	V294 D295 E433 S434	V294-N299 HydrophobicContact CB-CB 3.86Å; V294-N299 HydrophobicContact CG2-CB 3.56Å; D295-N299 VanDerWaalsContact O-CB 3.31Å; D295-N299 WeakPolarHBondContact O-CB 3.49Å; D295-N299 PolarHBondContact O-N 3.16Å; D295-N299 PolarHBondContact O-ND2 3.09Å; D295-N299 VanDerWaalsContact O-ND2 3.14Å; N299-E433 PolarHBondContact ND2-OE2 2.75Å; N299-E433 WeakPolarHBondContact OD1-CB 3.46Å; N299-S434 WeakPolarHBondContact CA-OG 3.29Å; N299-S434 VanDerWaalsContact CB-OG 3.27Å; N299-S434 WeakPolarHBondContact CB-OG 3.45Å; N299-S434 VanDerWaalsContact CG-OG 3.32Å; N299-S434 WeakPolarHBondContact OD1-CB 3.5Å; N299-S434 PolarHBondContact OD1-OG 2.96Å
300	Y	96	Very high	92	Very high	9 Å²	9	61.9 Å²	61.9	4%	0.035	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	133.9	-170.4	-70.8	-84.3	0	0	0	112.4	D297 Y302 K314 R316 Y426 V432 S434 A435 T436	D297-Y300 WeakPolarHBondContact O-CE2 3.47Å; D297-Y300 PolarHBondContact O-OH 3.37Å; D297-Y300 VanDerWaalsContact O-OH 3.1Å; Y300-Y302 VanDerWaalsContact CB-CZ 3.43Å; Y300-Y302 WeakPolarHBondContact CB-OH 3.48Å; Y300-Y302 HydrophobicContact CD1-CE1 4.38Å; Y300-Y302 HydrophobicContact CG-CE1 4.34Å; Y300-K314 PolarHBondContact OH-O 3.04Å; Y300-R316 WeakPolarHBondContact OH-CD 3.07Å; Y300-R316 WeakPolarHBondContact OH-CG 3.12Å; Y300-R316 PolarHBondContact OH-NE 3.48Å; Y300-Y426 AromaticContact CD1-CD2 3.72Å; Y300-Y426 HydrophobicContact CD1-CD2 3.72Å; Y300-Y426 AromaticContact CD1-CE2 3.89Å; Y300-Y426 HydrophobicContact CD1-CE2 3.89Å; Y300-Y426 AromaticContact CD2-CD2 3.75Å; Y300-Y426 HydrophobicContact CD2-CD2 3.75Å; Y300-Y426 HydrophobicContact CD2-CG 4.43Å; Y300-Y426 AromaticContact CE1-CD2 3.54Å; Y300-Y426 HydrophobicContact CE1-CD2 3.54Å; Y300-Y426 AromaticContact CE1-CE2 3.44Å; Y300-Y426 HydrophobicContact CE1-CE2 3.44Å; Y300-Y426 VanDerWaalsContact CE1-CE2 3.44Å; Y300-Y426 AromaticContact CE2-CD2 3.56Å; Y300-Y426 HydrophobicContact CE2-CD2 3.56Å; Y300-Y426 HydrophobicContact CE2-CE2 4.24Å; Y300-Y426 HydrophobicContact CE2-CG 4.15Å; Y300-Y426 AromaticContact CG-CD2 3.82Å; Y300-Y426 HydrophobicContact CG-CD2 3.82Å; Y300-Y426 HydrophobicContact CG-CE2 4.45Å; Y300-Y426 AromaticContact CZ-CD2 3.45Å; Y300-Y426 VanDerWaalsContact CZ-CD2 3.45Å; Y300-Y426 AromaticContact CZ-CE2 3.64Å; Y300-V432 HydrophobicContact CD2-CG1 4.15Å; Y300-V432 HydrophobicContact CE2-CG1 4.34Å; Y300-V432 HydrophobicContact CE2-CG2 4.37Å; Y300-S434 PolarHBondContact N-O 3.18Å; Y300-A435 CarbonylContact O-C 3.57Å; Y300-A435 VanDerWaalsContact O-CA 3.3Å; Y300-A435 WeakPolarHBondContact O-CA 3.27Å; Y300-T436 PolarHBondContact O-N 2.91Å
301	R	95.8	Very high	91.2	Very high	21 Å²	21	64.1 Å²	64.1	8%	0.079	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.2	170.1	-176.5	-153.5	59.5	171.1	-6.9	110.5	L291 C303 I305 P309 S311 T436	L291-R301 HydrophobicContact CD1-CG 4.32Å; R301-C303 WeakPolarHBondContact CD-O 3.29Å; R301-C303 PolarHBondContact NE-O 3.42Å; R301-I305 HydrophobicContact CG-CD1 4.36Å; R301-P309 PolarHBondContact NH2-O 2.89Å; R301-S311 VanDerWaalsContact O-CB 3.24Å; R301-S311 WeakPolarHBondContact O-CB 3.49Å; R301-S311 PolarHBondContact O-OG 3.25Å; R301-T436 HydrophobicContact CG-CG2 4.04Å
302	Y	95.4	Very high	90.2	Very high	33 Å²	33	71.2 Å²	71.2	13%	0.129	39%	0.392	C	S	.	.			trans	-91.8	-7.9	-175.8	-51	-70	0	0	0	113.9	Y300 P422 I425 Y426 A435 T436 L437 Q441	Y300-Y302 VanDerWaalsContact CB-CZ 3.43Å; Y300-Y302 WeakPolarHBondContact CB-OH 3.48Å; Y300-Y302 HydrophobicContact CD1-CE1 4.38Å; Y300-Y302 HydrophobicContact CG-CE1 4.34Å; Y302-P422 HydrophobicContact CD1-CB 4.07Å; Y302-P422 HydrophobicContact CD1-CG 3.55Å; Y302-P422 HydrophobicContact CE1-CG 4.18Å; Y302-P422 HydrophobicContact CG-CG 3.95Å; Y302-I425 HydrophobicContact CE2-CG2 4.17Å; Y302-Y426 HydrophobicContact CE1-CD2 4.42Å; Y302-Y426 WeakPolarHBondContact OH-CD2 3.27Å; Y302-Y426 PolarHBondContact OH-N 2.76Å; Y302-A435 HydrophobicContact CE2-CB 3.91Å; Y302-T436 PolarHBondContact N-O 2.74Å; Y302-L437 HydrophobicContact CD2-CD1 4.23Å; Y302-L437 HydrophobicContact CD2-CG 4.02Å; Y302-Q441 PolarHBondContact O-NE2 2.98Å
303	C	94.9	Very high	89.5	Confident	9 Å²	9	67.8 Å²	67.8	6%	0.061	38%	0.379	C	S	.	.	S	Bend	trans	-103.9	149.1	175.8	56.8	0	0	0	0	112.9	R301	R301-C303 WeakPolarHBondContact CD-O 3.29Å; R301-C303 PolarHBondContact NE-O 3.42Å
304	T	93.1	Very high	89.2	Confident	131 Å²	131	66.6 Å²	66.6	80%	0.804	37%	0.373	S	S	*	.			trans	-69.1	136.8	162.1	-53.4	0	0	0	0	109.3
305	I	92.3	Very high	88.9	Confident	6 Å²	6	70.8 Å²	70.8	3%	0.031	39%	0.394	C	S	.	.			trans	-116.8	132.1	168.8	-64.8	169.5	0	0	0	106.6	L291 R301 N307 F308 F622	L291-I305 HydrophobicContact CD1-CD1 3.74Å; R301-I305 HydrophobicContact CG-CD1 4.36Å; I305-N307 PolarHBondContact O-N 3.45Å; I305-F308 HydrophobicContact CB-CB 3.92Å; I305-F308 HydrophobicContact CG2-CB 3.99Å; I305-F308 PolarHBondContact O-N 3.42Å; I305-F622 HydrophobicContact CD1-CB 3.85Å; I305-F622 HydrophobicContact CD1-CD1 4.21Å; I305-F622 HydrophobicContact CD1-CG 4.44Å
306	P	89.6	Confident	88.6	Confident	107 Å²	107	69.2 Å²	69.2	70%	0.695	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	136.7	176.9	-27.1	35.4	0	0	0	112.2	F308	P306-F308 PolarHBondContact O-N 2.98Å
307	N	87.3	Confident	88	Confident	175 Å²	175	73.8 Å²	73.8	94%	0.936	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	12.6	179.4	-51.5	-34	0	0	0	116	I305	I305-N307 PolarHBondContact O-N 3.45Å
308	F	89	Confident	87.3	Confident	54 Å²	54	72.7 Å²	72.7	24%	0.237	39%	0.393	C	S	.	.	S	Bend	trans	-108.3	134.1	175.6	-156.3	-93.8	0	0	0	111.3	L291 N292 I305 P306 F622	L291-F308 HydrophobicContact CB-CE1 4.29Å; L291-F308 HydrophobicContact CB-CZ 4.06Å; L291-F308 WeakPolarHBondContact O-CZ 3.34Å; N292-F308 WeakPolarHBondContact OD1-CE2 3.26Å; I305-F308 HydrophobicContact CB-CB 3.92Å; I305-F308 HydrophobicContact CG2-CB 3.99Å; I305-F308 PolarHBondContact O-N 3.42Å; P306-F308 PolarHBondContact O-N 2.98Å; F308-F622 HydrophobicContact CD2-CD1 4.31Å; F308-F622 AromaticContact CD2-CE1 3.95Å; F308-F622 HydrophobicContact CD2-CE1 3.95Å; F308-F622 HydrophobicContact CE2-CD1 4.34Å; F308-F622 AromaticContact CE2-CE1 3.58Å; F308-F622 HydrophobicContact CE2-CE1 3.58Å; F308-F622 HydrophobicContact CZ-CE1 4.1Å
309	P	87.1	Confident	86.2	Confident	94 Å²	94	73 Å²	73	61%	0.61	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-51.5	154.4	179	-28	35.4	0	0	0	113.8	R301	R301-P309 PolarHBondContact NH2-O 2.89Å
310	A	83.6	Confident	85	Confident	84 Å²	84	82.8 Å²	82.8	69%	0.694	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-59.5	147.7	176.4	0	0	0	0	0	111.6
311	S	78.2	Confident	83.7	Confident	51 Å²	51	92.3 Å²	92.3	36%	0.357	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-84.7	122	-179.5	-169.4	0	0	0	0	108.9	R301	R301-S311 VanDerWaalsContact O-CB 3.24Å; R301-S311 WeakPolarHBondContact O-CB 3.49Å; R301-S311 PolarHBondContact O-OG 3.25Å
312	Q	71.1	Confident	82.5	Confident	170 Å²	170	94.2 Å²	94.2	79%	0.794	50%	0.5	S	S	*	.			trans	-122	95.6	171.9	-66.4	-173.4	-3	0	0	107.5
313	G	77.3	Confident	81.5	Confident	22 Å²	22	95.8 Å²	95.8	23%	0.227	51%	0.514	C	S	.	.			trans	-116.7	143.9	168.1	0	0	0	0	0	109	P296	P296-G313 WeakPolarHBondContact O-CA 3.27Å
314	K	85	Confident	81.1	Confident	135 Å²	135	101.2 Å²	101.2	59%	0.587	54%	0.537	S	S	*	.			trans	-50.7	137.1	-177.6	177	176.2	179.6	-179.7	0	112.7	D297 Y300 R316	D297-K314 HydrophobicContact CB-CB 4.34Å; D297-K314 VanDerWaalsContact OD1-CB 3.24Å; D297-K314 WeakPolarHBondContact OD1-CB 3.1Å; D297-K314 PolarHBondContact OD1-N 3.21Å; D297-K314 WeakPolarHBondContact OD2-CB 3.49Å; D297-K314 WeakPolarHBondContact OD2-CD 3.41Å; Y300-K314 PolarHBondContact OH-O 3.04Å; K314-R316 PolarHBondContact O-N 2.9Å
315	L	85.8	Confident	80.9	Confident	124 Å²	124	95.4 Å²	95.4	65%	0.649	50%	0.501	S	S	*	.			trans	-69.1	129.1	170.3	-66.1	177.9	0	0	0	109.8	Y426	L315-Y426 WeakPolarHBondContact CA-OH 3.41Å
316	R	85.8	Confident	80.9	Confident	38 Å²	38	95.3 Å²	95.3	14%	0.143	50%	0.501	C	S	.	.			trans	-106.6	148	176.3	-61.8	172.2	176	-111	-0.3	110	D297 Y300 K314 R424 Y426 D431	D297-R316 PolarHBondContact O-NE 2.59Å; D297-R316 PolarHBondContact O-NH2 2.8Å; Y300-R316 WeakPolarHBondContact OH-CD 3.07Å; Y300-R316 WeakPolarHBondContact OH-CG 3.12Å; Y300-R316 PolarHBondContact OH-NE 3.48Å; K314-R316 PolarHBondContact O-N 2.9Å; R316-R424 PolarHBondContact O-NH1 3.2Å; R316-Y426 HydrophobicContact CB-CD1 4.05Å; R316-Y426 HydrophobicContact CB-CE1 3.62Å; R316-Y426 HydrophobicContact CG-CE1 4.46Å; R316-Y426 PolarHBondContact N-OH 2.84Å; R316-Y426 VanDerWaalsContact N-OH 3.08Å; R316-D431 IonicContact CZ-OD1 2.67Å; R316-D431 IonicContact CZ-OD2 3.33Å; R316-D431 VanDerWaalsContact CZ-OD2 3.31Å; R316-D431 VanDerWaalsContact NH1-CG 3.26Å; R316-D431 IonicContact NH1-OD1 3.76Å; R316-D431 PolarHBondContact NH1-OD1 2.99Å; R316-D431 IonicContact NH1-OD2 2.66Å; R316-D431 PolarHBondContact NH1-OD2 2.79Å; R316-D431 IonicContact NH2-OD1 3.83Å; R316-D431 IonicContact NH2-OD2 3.6Å; R316-D431 PolarHBondContact NH2-OD2 2.84Å
317	E	80.6	Confident	81	Confident	154 Å²	154	90.9 Å²	90.9	72%	0.72	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-100.8	161.5	172.3	-60.2	-153.3	135.7	0	0	110.9	I325	E317-I325 WeakPolarHBondContact O-CG2 3.24Å
318	D	77.8	Confident	81	Confident	30 Å²	30	86.4 Å²	86.4	16%	0.16	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-81.1	130.3	-178.8	-158	36.3	0	0	0	111.5	R320 K324 I325 V326	D318-R320 PolarHBondContact O-N 2.81Å; D318-K324 VanDerWaalsContact OD1-CA 3.24Å; D318-K324 WeakPolarHBondContact OD1-CA 3.15Å; D318-K324 WeakPolarHBondContact OD1-CB 3.46Å; D318-I325 PolarHBondContact OD1-N 3.12Å; D318-V326 HydrophobicContact CB-CG2 4.22Å; D318-V326 PolarHBondContact OD1-N 3.47Å
319	N	70.3	Confident	81	Confident	78 Å²	78	84.2 Å²	84.2	42%	0.417	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-54.2	132.8	-175.7	-72.2	-44.8	0	0	0	111.6	Y321 P323	N319-Y321 VanDerWaalsContact C-N 3.29Å; N319-P323 PolarHBondContact ND2-O 3.1Å
320	R	69.9	Low	81	Confident	214 Å²	214	83 Å²	83	81%	0.808	43%	0.425	S	S	*	.	S	Bend	trans	-68.7	-30.9	173.2	-74.6	-166	-76.1	-174	-4.2	112.4	D318	D318-R320 PolarHBondContact O-N 2.81Å
321	Y	67.8	Low	81.3	Confident	209 Å²	209	79.8 Å²	79.8	82%	0.82	40%	0.395	S	S	*	.	S	Bend	trans	-139.8	129.4	177.1	-50.3	-79.8	0	0	0	108.1	N319	N319-Y321 VanDerWaalsContact C-N 3.29Å
322	G	71.1	Confident	81.9	Confident	60 Å²	60	79.4 Å²	79.4	62%	0.619	39%	0.386	S	S	*	.	S	Bend	trans	110.1	-171.7	-177.2	0	0	0	0	0	114.5
323	P	74.8	Confident	82.8	Confident	67 Å²	67	73.7 Å²	73.7	44%	0.435	36%	0.359	S	S	.	.	S	Bend	trans	-60.1	142.8	-177.9	-25.2	35.3	0	0	0	113.2	N319 I325	N319-P323 PolarHBondContact ND2-O 3.1Å; P323-I325 PolarHBondContact O-N 2.72Å
324	K	85.1	Confident	83.3	Confident	122 Å²	122	77.6 Å²	77.6	53%	0.53	37%	0.37	S	S	.	.			trans	-73.8	122.7	175.5	-68.4	-173.4	179.4	169.6	0	110.4	D318 R427	D318-K324 VanDerWaalsContact OD1-CA 3.24Å; D318-K324 WeakPolarHBondContact OD1-CA 3.15Å; D318-K324 WeakPolarHBondContact OD1-CB 3.46Å; K324-R427 PolarHBondContact O-NH1 2.68Å
325	I	89.5	Confident	83.2	Confident	9 Å²	9	72 Å²	72	5%	0.046	35%	0.347	C	S	.	.			trans	-91.2	-24.4	-179.4	-166.5	165.2	0	0	0	111.6	E317 D318 P323 Y426 R427 V429 V432	E317-I325 WeakPolarHBondContact O-CG2 3.24Å; D318-I325 PolarHBondContact OD1-N 3.12Å; P323-I325 PolarHBondContact O-N 2.72Å; I325-Y426 CarbonylContact O-C 3.52Å; I325-Y426 VanDerWaalsContact O-CA 3.23Å; I325-Y426 WeakPolarHBondContact O-CA 3.24Å; I325-R427 PolarHBondContact O-N 3.17Å; I325-V429 HydrophobicContact CB-CG2 3.91Å; I325-V429 HydrophobicContact CD1-CG2 4.48Å; I325-V429 HydrophobicContact CG1-CG2 3.85Å; I325-V432 HydrophobicContact CD1-CG2 3.85Å; I325-V432 HydrophobicContact CG1-CG2 4.25Å
326	V	91.7	Very high	82.6	Confident	5 Å²	5	67.5 Å²	67.5	3%	0.03	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-96.4	126	175.6	-169.3	0	0	0	0	110.4	D318 R424 Y426	D318-V326 HydrophobicContact CB-CG2 4.22Å; D318-V326 PolarHBondContact OD1-N 3.47Å; V326-R424 HydrophobicContact CG1-CB 4.17Å; V326-R424 HydrophobicContact CG1-CG 4.34Å; V326-Y426 HydrophobicContact CG2-CD1 4.16Å; V326-Y426 HydrophobicContact CG2-CE1 4.03Å
327	L	91.9	Very high	82.2	Confident	14 Å²	14	72.7 Å²	72.7	7%	0.073	35%	0.345	C	S	.	.			trans	-61.4	131.2	175.6	-174	67.1	0	0	0	110.7	Q329 W331 I425 R427 L445 L572	L327-Q329 WeakPolarHBondContact O-CG 3.44Å; L327-Q329 PolarHBondContact O-N 3.2Å; L327-W331 HydrophobicContact CD2-CH2 4.37Å; L327-I425 HydrophobicContact CB-CB 4.08Å; L327-I425 HydrophobicContact CB-CG2 4.32Å; L327-I425 WeakPolarHBondContact CB-O 3.44Å; L327-I425 HydrophobicContact CD2-CB 4.18Å; L327-I425 HydrophobicContact CD2-CD1 4.25Å; L327-I425 HydrophobicContact CD2-CG2 4.07Å; L327-I425 PolarHBondContact N-O 3.1Å; L327-R427 HydrophobicContact CB-CG 4.33Å; L327-R427 HydrophobicContact CD1-CG 4.33Å; L327-L445 HydrophobicContact CD2-CD2 4.19Å; L327-L572 HydrophobicContact CD1-CB 4.06Å; L327-L572 WeakPolarHBondContact CD1-O 3.37Å
328	P	87.9	Confident	82.3	Confident	81 Å²	81	67.9 Å²	67.9	53%	0.526	34%	0.337	S	S	.	.			trans	-66.4	87.9	-178.2	-26.6	37.5	0	0	0	115.2	R330	P328-R330 PolarHBondContact O-N 3.38Å; P328-R330 VanDerWaalsContact O-N 3.11Å
329	Q	89	Confident	82.6	Confident	8 Å²	8	73.6 Å²	73.6	4%	0.037	36%	0.357	C	S	.	.			trans	-77	98	-178.2	-44.5	-146.3	124	0	0	111.7	L327 W331 R341 P422 E423 I425	L327-Q329 WeakPolarHBondContact O-CG 3.44Å; L327-Q329 PolarHBondContact O-N 3.2Å; Q329-W331 VanDerWaalsContact C-N 3.3Å; Q329-W331 HydrophobicContact CB-CD2 4.15Å; Q329-W331 HydrophobicContact CB-CE3 4.43Å; Q329-W331 HydrophobicContact CB-CH2 4.08Å; Q329-W331 HydrophobicContact CB-CZ2 3.78Å; Q329-W331 HydrophobicContact CB-CZ3 4.39Å; Q329-W331 VanDerWaalsContact CD-CZ2 3.5Å; Q329-W331 HydrophobicContact CG-CH2 4.06Å; Q329-W331 HydrophobicContact CG-CZ2 3.72Å; Q329-R341 PolarHBondContact O-NE 3.04Å; Q329-R341 PolarHBondContact O-NH2 2.73Å; Q329-P422 PolarHBondContact NE2-O 2.9Å; Q329-E423 PolarHBondContact NE2-O 3.48Å; Q329-I425 VanDerWaalsContact OE1-CD1 3.32Å; Q329-I425 VanDerWaalsContact OE1-CG1 3.3Å
330	R	86.5	Confident	83.5	Confident	68 Å²	68	76.4 Å²	76.4	26%	0.257	36%	0.361	S	S	.	.			trans	-82	2.7	176	-78.4	175.6	71	-124.6	3.2	114.2	P328 M373 E375 F451	P328-R330 PolarHBondContact O-N 3.38Å; P328-R330 VanDerWaalsContact O-N 3.11Å; R330-M373 PolarHBondContact NH2-O 3.12Å; R330-M373 VanDerWaalsContact NH2-O 3.14Å; R330-E375 IonicContact CZ-OE1 3.83Å; R330-E375 IonicContact NE-OE1 3.76Å; R330-E375 PolarHBondContact NE-OE1 2.93Å; R330-E375 IonicContact NH2-OE1 3.78Å; R330-E375 PolarHBondContact NH2-OE1 3.33Å; R330-F451 PolarHBondContact NH1-O 3.19Å
331	W	90.9	Very high	84.3	Confident	17 Å²	17	69.2 Å²	69.2	6%	0.064	33%	0.334	C	S	.	.	S	Bend	trans	-107.4	24	-174.6	57.4	86.8	0	0	0	114.2	L327 Q329 A417 L421 L445 R448	L327-W331 HydrophobicContact CD2-CH2 4.37Å; Q329-W331 VanDerWaalsContact C-N 3.3Å; Q329-W331 HydrophobicContact CB-CD2 4.15Å; Q329-W331 HydrophobicContact CB-CE3 4.43Å; Q329-W331 HydrophobicContact CB-CH2 4.08Å; Q329-W331 HydrophobicContact CB-CZ2 3.78Å; Q329-W331 HydrophobicContact CB-CZ3 4.39Å; Q329-W331 VanDerWaalsContact CD-CZ2 3.5Å; Q329-W331 HydrophobicContact CG-CH2 4.06Å; Q329-W331 HydrophobicContact CG-CZ2 3.72Å; W331-A417 HydrophobicContact CB-CB 4.29Å; W331-A417 VanDerWaalsContact CD1-C 3.48Å; W331-A417 HydrophobicContact CD2-CB 4.29Å; W331-A417 HydrophobicContact CG-CB 3.88Å; W331-A417 PolarHBondContact NE1-O 3.02Å; W331-A417 VanDerWaalsContact NE1-O 3.17Å; W331-L421 HydrophobicContact CH2-CD1 4.49Å; W331-L421 HydrophobicContact CZ2-CD1 3.56Å; W331-L445 HydrophobicContact CH2-CD2 3.63Å; W331-L445 HydrophobicContact CZ2-CD2 3.87Å; W331-R448 VanDerWaalsContact CB-CZ 3.44Å; W331-R448 HydrophobicContact CE3-CG 4.24Å
332	R	89.6	Confident	85.2	Confident	42 Å²	42	64.2 Å²	64.2	16%	0.158	32%	0.322	C	S	.	.	S	Bend	trans	-133	152.4	177.6	-60.5	-165.1	179.6	-67.4	-9.4	111.2	F334 Y344 E418 L421 P422	R332-F334 VanDerWaalsContact C-N 3.27Å; R332-F334 PolarHBondContact O-N 3.43Å; R332-Y344 VanDerWaalsContact C-CD2 3.49Å; R332-Y344 VanDerWaalsContact C-CG 3.46Å; R332-Y344 WeakPolarHBondContact O-CB 3.4Å; R332-E418 PolarHBondContact NH1-O 3.27Å; R332-L421 VanDerWaalsContact NH2-C 3.27Å; R332-L421 PolarHBondContact NH2-O 3.39Å; R332-P422 PolarHBondContact NE-O 3.46Å; R332-P422 PolarHBondContact NH2-O 2.99Å
333	E	90.9	Very high	85.9	Confident	51 Å²	51	64 Å²	64	24%	0.238	31%	0.311	C	S	.	.	S	Bend	trans	-60.8	-36.7	172.9	178.5	167.9	-166	0	0	112.1	R340 R341 Y344 F345	E333-R340 HydrophobicContact CG-CG 3.94Å; E333-R340 CarbonylContact O-C 3.48Å; E333-R340 WeakPolarHBondContact O-CA 3.3Å; E333-R340 IonicContact OE1-CZ 2.97Å; E333-R340 VanDerWaalsContact OE1-CZ 3.23Å; E333-R340 IonicContact OE1-NE 3.31Å; E333-R340 PolarHBondContact OE1-NE 3.17Å; E333-R340 IonicContact OE1-NH2 3.01Å; E333-R340 PolarHBondContact OE1-NH2 3.07Å; E333-R341 PolarHBondContact O-N 2.8Å; E333-Y344 HydrophobicContact CB-CD1 3.8Å; E333-Y344 HydrophobicContact CB-CE1 3.66Å; E333-Y344 HydrophobicContact CG-CD1 4.48Å; E333-F345 HydrophobicContact CB-CE2 4.46Å; E333-F345 HydrophobicContact CB-CZ 4.45Å; E333-F345 HydrophobicContact CG-CE2 3.74Å; E333-F345 HydrophobicContact CG-CZ 3.92Å; E333-F345 WeakPolarHBondContact OE1-CE2 3.28Å; E333-F345 VanDerWaalsContact OE1-CZ 3.27Å; E333-F345 WeakPolarHBondContact OE1-CZ 3.21Å
334	F	87.9	Confident	86.6	Confident	104 Å²	104	61.6 Å²	61.6	46%	0.456	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-109.6	150.8	-177.7	-59.4	-79.8	0	0	0	111.8	R332 G338 R339 R340	R332-F334 VanDerWaalsContact C-N 3.27Å; R332-F334 PolarHBondContact O-N 3.43Å; F334-G338 WeakPolarHBondContact CD1-O 3.42Å; F334-R339 CarbonylContact C-O 3.59Å; F334-R339 WeakPolarHBondContact CA-O 3.21Å; F334-R340 HydrophobicContact CD1-CB 4.33Å; F334-R340 HydrophobicContact CE1-CB 4.12Å; F334-R340 HydrophobicContact CE1-CG 4.26Å
335	D	81.8	Confident	86.9	Confident	17 Å²	17	59.7 Å²	59.7	9%	0.091	29%	0.285	C	S	.	.			trans	-86.8	174.8	168.8	85.5	-7.9	0	0	0	112.3	R337 G338 R339	D335-R337 PolarHBondContact O-N 2.85Å; D335-R337 VanDerWaalsContact OD1-C 3.3Å; D335-R337 VanDerWaalsContact OD1-CA 3.31Å; D335-R337 WeakPolarHBondContact OD1-CA 3.29Å; D335-R337 WeakPolarHBondContact OD1-CB 3.28Å; D335-R337 PolarHBondContact OD1-N 3.44Å; D335-G338 PolarHBondContact O-N 3.18Å; D335-G338 PolarHBondContact OD1-N 3.37Å; D335-R339 PolarHBondContact N-O 2.95Å; D335-R339 WeakPolarHBondContact OD1-CB 3.45Å; D335-R339 PolarHBondContact OD1-N 2.92Å; D335-R339 IonicContact OD1-NE 3.38Å; D335-R339 IonicContact OD2-CZ 2.9Å; D335-R339 IonicContact OD2-NE 2.72Å; D335-R339 PolarHBondContact OD2-NE 3.22Å; D335-R339 IonicContact OD2-NH2 2.73Å; D335-R339 PolarHBondContact OD2-NH2 2.69Å
336	S	73.4	Confident	87	Confident	29 Å²	29	63.5 Å²	63.5	20%	0.203	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	0.4	179.6	49	0	0	0	0	114.7	R424	S336-R424 PolarHBondContact O-NH2 2.94Å
337	R	77.4	Confident	87	Confident	147 Å²	147	63.7 Å²	63.7	56%	0.555	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	16.1	172.6	-56.3	-176	-179.2	-176.3	0.2	111.8	D335 R339	D335-R337 PolarHBondContact O-N 2.85Å; D335-R337 VanDerWaalsContact OD1-C 3.3Å; D335-R337 VanDerWaalsContact OD1-CA 3.31Å; D335-R337 WeakPolarHBondContact OD1-CA 3.29Å; D335-R337 WeakPolarHBondContact OD1-CB 3.28Å; D335-R337 PolarHBondContact OD1-N 3.44Å; R337-R339 VanDerWaalsContact C-N 3.26Å; R337-R339 HydrophobicContact CB-CG 4.4Å; R337-R339 PolarHBondContact O-N 3.3Å
338	G	82	Confident	87	Confident	54 Å²	54	65.9 Å²	65.9	56%	0.557	31%	0.309	S	S	*	.	S	Bend	trans	72.4	10.2	179.7	0	0	0	0	0	115	F334 D335	F334-G338 WeakPolarHBondContact CD1-O 3.42Å; D335-G338 PolarHBondContact O-N 3.18Å; D335-G338 PolarHBondContact OD1-N 3.37Å
339	R	85.3	Confident	87.4	Confident	150 Å²	150	70.2 Å²	70.2	57%	0.566	32%	0.315	S	S	*	.			trans	-85.9	134	-178.3	-55.2	179.9	-61.5	167.7	4.4	110.6	F334 D335 R337	F334-R339 CarbonylContact C-O 3.59Å; F334-R339 WeakPolarHBondContact CA-O 3.21Å; D335-R339 PolarHBondContact N-O 2.95Å; D335-R339 WeakPolarHBondContact OD1-CB 3.45Å; D335-R339 PolarHBondContact OD1-N 2.92Å; D335-R339 IonicContact OD1-NE 3.38Å; D335-R339 IonicContact OD2-CZ 2.9Å; D335-R339 IonicContact OD2-NE 2.72Å; D335-R339 PolarHBondContact OD2-NE 3.22Å; D335-R339 IonicContact OD2-NH2 2.73Å; D335-R339 PolarHBondContact OD2-NH2 2.69Å; R337-R339 VanDerWaalsContact C-N 3.26Å; R337-R339 HydrophobicContact CB-CG 4.4Å; R337-R339 PolarHBondContact O-N 3.3Å
340	R	89.6	Confident	87.6	Confident	137 Å²	137	72.8 Å²	72.8	52%	0.517	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-64.9	145.4	179.1	-160.4	-176.3	-159.2	-135.3	8.7	112.1	E333 F334 D342 F345	E333-R340 HydrophobicContact CG-CG 3.94Å; E333-R340 CarbonylContact O-C 3.48Å; E333-R340 WeakPolarHBondContact O-CA 3.3Å; E333-R340 IonicContact OE1-CZ 2.97Å; E333-R340 VanDerWaalsContact OE1-CZ 3.23Å; E333-R340 IonicContact OE1-NE 3.31Å; E333-R340 PolarHBondContact OE1-NE 3.17Å; E333-R340 IonicContact OE1-NH2 3.01Å; E333-R340 PolarHBondContact OE1-NH2 3.07Å; F334-R340 HydrophobicContact CD1-CB 4.33Å; F334-R340 HydrophobicContact CE1-CB 4.12Å; F334-R340 HydrophobicContact CE1-CG 4.26Å; R340-D342 IonicContact CZ-OD1 3.14Å; R340-D342 IonicContact NE-OD1 3.81Å; R340-D342 IonicContact NH1-OD1 3.76Å; R340-D342 PolarHBondContact NH1-OD1 3.42Å; R340-F345 VanDerWaalsContact NH2-CE2 3.31Å
341	R	86.9	Confident	88	Confident	63 Å²	63	69.7 Å²	69.7	24%	0.238	31%	0.314	C	S	.	.			trans	-119.4	93.9	175.1	-53.1	-173.1	-161.8	-89.5	19	109.9	Q329 E333 S343 Y344	Q329-R341 PolarHBondContact O-NE 3.04Å; Q329-R341 PolarHBondContact O-NH2 2.73Å; E333-R341 PolarHBondContact O-N 2.8Å; R341-S343 PolarHBondContact O-N 3.31Å; R341-S343 VanDerWaalsContact O-N 3.15Å; R341-Y344 WeakPolarHBondContact O-CB 3.36Å; R341-Y344 PolarHBondContact O-N 2.94Å
342	D	86.1	Confident	88.3	Confident	104 Å²	104	71 Å²	71	56%	0.556	32%	0.323	S	S	*	.	H	α-helix	trans	-63.9	-23.6	179.5	-59	-58.4	0	0	0	113	R340 Y344 F345	R340-D342 IonicContact CZ-OD1 3.14Å; R340-D342 IonicContact NE-OD1 3.81Å; R340-D342 IonicContact NH1-OD1 3.76Å; R340-D342 PolarHBondContact NH1-OD1 3.42Å; D342-Y344 VanDerWaalsContact C-N 3.28Å; D342-Y344 PolarHBondContact O-N 2.66Å; D342-F345 PolarHBondContact O-N 3.43Å
343	S	85.9	Confident	88.5	Confident	56 Å²	56	70.6 Å²	70.6	39%	0.392	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-27.5	173	59.8	0	0	0	0	113.9	R341 F345 Y346 F347	R341-S343 PolarHBondContact O-N 3.31Å; R341-S343 VanDerWaalsContact O-N 3.15Å; S343-F345 VanDerWaalsContact C-N 3.33Å; S343-F345 PolarHBondContact O-N 3.39Å; S343-Y346 WeakPolarHBondContact O-CB 3.14Å; S343-Y346 PolarHBondContact O-N 3.13Å; S343-F347 WeakPolarHBondContact O-CD2 3.47Å; S343-F347 WeakPolarHBondContact O-CE2 3.34Å; S343-F347 WeakPolarHBondContact O-CG 3.36Å; S343-F347 PolarHBondContact O-N 3.38Å
344	Y	90.1	Very high	88.8	Confident	16 Å²	16	68.4 Å²	68.4	6%	0.063	32%	0.321	C	S	.	.	H	α-helix	trans	-61.7	-40.3	176.1	145.1	-90.1	0	0	0	111.7	R332 E333 R341 D342 Y346 F347 K348 E418	R332-Y344 VanDerWaalsContact C-CD2 3.49Å; R332-Y344 VanDerWaalsContact C-CG 3.46Å; R332-Y344 WeakPolarHBondContact O-CB 3.4Å; E333-Y344 HydrophobicContact CB-CD1 3.8Å; E333-Y344 HydrophobicContact CB-CE1 3.66Å; E333-Y344 HydrophobicContact CG-CD1 4.48Å; R341-Y344 WeakPolarHBondContact O-CB 3.36Å; R341-Y344 PolarHBondContact O-N 2.94Å; D342-Y344 VanDerWaalsContact C-N 3.28Å; D342-Y344 PolarHBondContact O-N 2.66Å; Y344-Y346 VanDerWaalsContact C-N 3.3Å; Y344-Y346 PolarHBondContact O-N 3.04Å; Y344-F347 PolarHBondContact O-N 3.04Å; Y344-K348 HydrophobicContact CE1-CD 4.48Å; Y344-K348 HydrophobicContact CE2-CD 3.98Å; Y344-K348 WeakPolarHBondContact O-CB 3.47Å; Y344-K348 PolarHBondContact O-N 2.93Å; Y344-K348 VanDerWaalsContact OH-CD 3.32Å; Y344-K348 WeakPolarHBondContact OH-CD 3.49Å; Y344-K348 PolarHBondContact OH-NZ 3.38Å; Y344-E418 PolarHBondContact OH-OE1 2.98Å; Y344-E418 PolarHBondContact OH-OE2 3.35Å; Y344-E418 VanDerWaalsContact OH-OE2 3.07Å
345	F	90.8	Very high	89.2	Confident	81 Å²	81	65.2 Å²	65.2	36%	0.355	31%	0.308	S	S	.	.	H	α-helix	trans	-64.4	-36.3	176.3	-71.2	-76.4	0	0	0	112.2	E333 R340 D342 S343 R349	E333-F345 HydrophobicContact CB-CE2 4.46Å; E333-F345 HydrophobicContact CB-CZ 4.45Å; E333-F345 HydrophobicContact CG-CE2 3.74Å; E333-F345 HydrophobicContact CG-CZ 3.92Å; E333-F345 WeakPolarHBondContact OE1-CE2 3.28Å; E333-F345 VanDerWaalsContact OE1-CZ 3.27Å; E333-F345 WeakPolarHBondContact OE1-CZ 3.21Å; R340-F345 VanDerWaalsContact NH2-CE2 3.31Å; D342-F345 PolarHBondContact O-N 3.43Å; S343-F345 VanDerWaalsContact C-N 3.33Å; S343-F345 PolarHBondContact O-N 3.39Å; F345-R349 VanDerWaalsContact O-CB 3.32Å; F345-R349 WeakPolarHBondContact O-CB 3.39Å; F345-R349 PolarHBondContact O-N 2.71Å
346	Y	91.1	Very high	89.8	Confident	89 Å²	89	73 Å²	73	35%	0.349	34%	0.341	S	S	.	.	H	α-helix	trans	-61.8	-49	173.7	178.6	-95.2	0	0	0	111.3	S343 Y344 R349 K350 N372	S343-Y346 WeakPolarHBondContact O-CB 3.14Å; S343-Y346 PolarHBondContact O-N 3.13Å; Y344-Y346 VanDerWaalsContact C-N 3.3Å; Y344-Y346 PolarHBondContact O-N 3.04Å; Y346-R349 PolarHBondContact O-N 3.49Å; Y346-K350 HydrophobicContact CD1-CG 4.4Å; Y346-K350 HydrophobicContact CE1-CG 4.13Å; Y346-K350 VanDerWaalsContact CZ-CE 3.41Å; Y346-K350 VanDerWaalsContact O-CG 3.29Å; Y346-K350 WeakPolarHBondContact O-CG 3.38Å; Y346-K350 PolarHBondContact O-N 2.88Å; Y346-K350 VanDerWaalsContact OH-CE 3.26Å; Y346-K350 WeakPolarHBondContact OH-CE 3.42Å; Y346-K350 PolarHBondContact OH-NZ 3.36Å; Y346-N372 PolarHBondContact OH-OD1 3.19Å
347	F	91.4	Very high	90.8	Very high	10 Å²	10	73.4 Å²	73.4	4%	0.044	34%	0.344	C	S	.	.	H	α-helix	trans	-64.6	-43.8	178.2	-58.6	-43.3	0	0	0	113	S343 Y344 R349 K350 L351 M373 E375	S343-F347 WeakPolarHBondContact O-CD2 3.47Å; S343-F347 WeakPolarHBondContact O-CE2 3.34Å; S343-F347 WeakPolarHBondContact O-CG 3.36Å; S343-F347 PolarHBondContact O-N 3.38Å; Y344-F347 PolarHBondContact O-N 3.04Å; F347-R349 VanDerWaalsContact C-N 3.35Å; F347-R349 PolarHBondContact O-N 3.38Å; F347-K350 PolarHBondContact O-N 3.47Å; F347-K350 VanDerWaalsContact O-N 3.1Å; F347-L351 PolarHBondContact O-N 3.21Å; F347-M373 HydrophobicContact CB-CE 3.9Å; F347-M373 HydrophobicContact CB-SD 3.64Å; F347-M373 HydrophobicContact CD1-CE 4.48Å; F347-M373 HydrophobicContact CD1-SD 3.71Å; F347-M373 HydrophobicContact CG-CE 4.33Å; F347-M373 HydrophobicContact CG-SD 4Å; F347-E375 HydrophobicContact CE1-CG 4.07Å; F347-E375 HydrophobicContact CZ-CG 3.53Å; F347-E375 VanDerWaalsContact CZ-OE1 3.31Å; F347-E375 WeakPolarHBondContact CZ-OE1 3.3Å
348	K	93.4	Very high	91.6	Very high	60 Å²	60	67.9 Å²	67.9	26%	0.261	32%	0.323	S	S	.	.	H	α-helix	trans	-57.8	-47.1	176.1	-173.8	161.4	-179.9	166.3	0	111.1	Y344 K350 L351 D352 E418	Y344-K348 HydrophobicContact CE1-CD 4.48Å; Y344-K348 HydrophobicContact CE2-CD 3.98Å; Y344-K348 WeakPolarHBondContact O-CB 3.47Å; Y344-K348 PolarHBondContact O-N 2.93Å; Y344-K348 VanDerWaalsContact OH-CD 3.32Å; Y344-K348 WeakPolarHBondContact OH-CD 3.49Å; Y344-K348 PolarHBondContact OH-NZ 3.38Å; K348-K350 VanDerWaalsContact C-N 3.33Å; K348-K350 PolarHBondContact O-N 3.42Å; K348-L351 PolarHBondContact O-N 2.63Å; K348-D352 WeakPolarHBondContact O-CB 3.48Å; K348-D352 PolarHBondContact O-N 2.76Å; K348-E418 WeakPolarHBondContact CE-OE2 3.23Å; K348-E418 IonicContact NZ-OE1 3.84Å; K348-E418 PolarHBondContact NZ-OE1 2.68Å; K348-E418 IonicContact NZ-OE2 2.9Å; K348-E418 PolarHBondContact NZ-OE2 3.38Å
349	R	94.3	Very high	91.9	Very high	172 Å²	172	70.2 Å²	70.2	65%	0.649	32%	0.318	S	S	*	.	H	α-helix	trans	-62.6	-33.3	174.8	-173.9	176.4	64.4	151.9	-1.5	113.4	F345 Y346 F347 G353	F345-R349 VanDerWaalsContact O-CB 3.32Å; F345-R349 WeakPolarHBondContact O-CB 3.39Å; F345-R349 PolarHBondContact O-N 2.71Å; Y346-R349 PolarHBondContact O-N 3.49Å; F347-R349 VanDerWaalsContact C-N 3.35Å; F347-R349 PolarHBondContact O-N 3.38Å; R349-G353 PolarHBondContact O-N 2.65Å
350	K	94.8	Very high	91.8	Very high	61 Å²	61	68.5 Å²	68.5	27%	0.265	32%	0.324	S	S	.	.	H	α-helix	trans	-72.1	-43	177.2	-70	-77.8	174.7	158.7	0	111.9	Y346 F347 K348 G353 Y354 L369 N372 M373	Y346-K350 HydrophobicContact CD1-CG 4.4Å; Y346-K350 HydrophobicContact CE1-CG 4.13Å; Y346-K350 VanDerWaalsContact CZ-CE 3.41Å; Y346-K350 VanDerWaalsContact O-CG 3.29Å; Y346-K350 WeakPolarHBondContact O-CG 3.38Å; Y346-K350 PolarHBondContact O-N 2.88Å; Y346-K350 VanDerWaalsContact OH-CE 3.26Å; Y346-K350 WeakPolarHBondContact OH-CE 3.42Å; Y346-K350 PolarHBondContact OH-NZ 3.36Å; F347-K350 PolarHBondContact O-N 3.47Å; F347-K350 VanDerWaalsContact O-N 3.1Å; K348-K350 VanDerWaalsContact C-N 3.33Å; K348-K350 PolarHBondContact O-N 3.42Å; K350-G353 PolarHBondContact O-N 3.34Å; K350-Y354 WeakPolarHBondContact O-CB 3.3Å; K350-Y354 PolarHBondContact O-N 2.8Å; K350-L369 HydrophobicContact CB-CD1 4.01Å; K350-N372 HydrophobicContact CD-CB 3.87Å; K350-N372 WeakPolarHBondContact CE-OD1 3.49Å; K350-N372 HydrophobicContact CG-CB 4.19Å; K350-N372 PolarHBondContact NZ-OD1 2.68Å; K350-M373 HydrophobicContact CB-SD 4.41Å
351	L	95	Very high	90.8	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.016	32%	0.323	C	S	.	.	H	α-helix	trans	-60	-49.2	171.5	-72.6	166.1	0	0	0	111.3	F347 K348 G353 Y354 L355 L369 M373 A411 F451	F347-L351 PolarHBondContact O-N 3.21Å; K348-L351 PolarHBondContact O-N 2.63Å; L351-G353 VanDerWaalsContact C-N 3.33Å; L351-G353 PolarHBondContact O-N 3.47Å; L351-Y354 PolarHBondContact O-N 3.33Å; L351-L355 WeakPolarHBondContact O-CB 3.44Å; L351-L355 WeakPolarHBondContact O-CG 2.99Å; L351-L355 PolarHBondContact O-N 2.86Å; L351-L369 HydrophobicContact CD2-CD1 4.26Å; L351-L369 HydrophobicContact CD2-CD2 4.05Å; L351-M373 HydrophobicContact CD1-CE 3.9Å; L351-M373 HydrophobicContact CD2-CE 4.35Å; L351-M373 HydrophobicContact CG-CE 4.03Å; L351-M373 HydrophobicContact CG-SD 4.21Å; L351-A411 HydrophobicContact CD2-CB 4.09Å; L351-F451 HydrophobicContact CD2-CE2 4.25Å; L351-F451 HydrophobicContact CD2-CZ 4.18Å
352	D	95.7	Very high	90.7	Very high	46 Å²	46	63.4 Å²	63.4	25%	0.246	32%	0.317	C	S	.	.	H	α-helix	trans	-65.6	-32.6	178.9	-76.6	-30.4	0	0	0	113.4	K348 K356 K415	K348-D352 WeakPolarHBondContact O-CB 3.48Å; K348-D352 PolarHBondContact O-N 2.76Å; D352-K356 WeakPolarHBondContact O-CD 3.38Å; D352-K356 VanDerWaalsContact O-CG 3.29Å; D352-K356 WeakPolarHBondContact O-CG 3.4Å; D352-K415 WeakPolarHBondContact OD1-CE 3.44Å; D352-K415 IonicContact OD1-NZ 3.82Å; D352-K415 PolarHBondContact OD1-NZ 3.46Å; D352-K415 IonicContact OD2-NZ 3Å
353	G	95.4	Very high	91	Very high	33 Å²	33	59.1 Å²	59.1	34%	0.34	29%	0.294	S	S	.	.	H	α-helix	trans	-67	-50.9	173.1	0	0	0	0	0	111.6	R349 K350 L351 L355 K356 C357	R349-G353 PolarHBondContact O-N 2.65Å; K350-G353 PolarHBondContact O-N 3.34Å; L351-G353 VanDerWaalsContact C-N 3.33Å; L351-G353 PolarHBondContact O-N 3.47Å; G353-L355 PolarHBondContact O-N 2.79Å; G353-K356 PolarHBondContact O-N 2.86Å; G353-C357 PolarHBondContact O-SG 3.21Å; G353-C357 VanDerWaalsContact O-SG 3.35Å
354	Y	96.8	Very high	91.3	Very high	5 Å²	5	63.7 Å²	63.7	2%	0.02	31%	0.307	C	S	.	.	H	α-helix	trans	-57	-48.7	177.5	171.6	-104.2	0	0	0	112.2	K350 L351 K356 C357 Y358 M365 F366 L369 F407 A408 A411	K350-Y354 WeakPolarHBondContact O-CB 3.3Å; K350-Y354 PolarHBondContact O-N 2.8Å; L351-Y354 PolarHBondContact O-N 3.33Å; Y354-K356 PolarHBondContact O-N 2.81Å; Y354-K356 VanDerWaalsContact O-N 3.1Å; Y354-C357 PolarHBondContact O-N 3.19Å; Y354-Y358 WeakPolarHBondContact O-CB 3.18Å; Y354-Y358 PolarHBondContact O-N 2.95Å; Y354-M365 HydrophobicContact CD2-CB 3.92Å; Y354-M365 HydrophobicContact CD2-CE 4.48Å; Y354-M365 HydrophobicContact CE2-CB 3.93Å; Y354-F366 HydrophobicContact CE1-CD2 4.12Å; Y354-F366 HydrophobicContact CE2-CB 3.89Å; Y354-F366 HydrophobicContact CE2-CD2 4.17Å; Y354-F366 AromaticContact CZ-CD2 3.7Å; Y354-L369 HydrophobicContact CD1-CD2 3.59Å; Y354-L369 HydrophobicContact CD2-CB 4.29Å; Y354-L369 HydrophobicContact CD2-CD2 4.32Å; Y354-L369 HydrophobicContact CE1-CD2 4.12Å; Y354-L369 HydrophobicContact CG-CB 4.33Å; Y354-L369 HydrophobicContact CG-CD2 3.7Å; Y354-L369 HydrophobicContact CG-CG 4.49Å; Y354-F407 VanDerWaalsContact OH-CB 3.23Å; Y354-F407 WeakPolarHBondContact OH-CB 3.42Å; Y354-A408 HydrophobicContact CE1-CB 4.47Å; Y354-A411 HydrophobicContact CD1-CB 3.74Å; Y354-A411 HydrophobicContact CE1-CB 3.74Å
355	L	96.3	Very high	91.4	Very high	37 Å²	37	65.8 Å²	65.8	19%	0.194	32%	0.318	C	S	.	.	H	α-helix	trans	-63.2	-18.6	-178.6	-71.7	174.7	0	0	0	114	L351 G353 A408 A411 R412	L351-L355 WeakPolarHBondContact O-CB 3.44Å; L351-L355 WeakPolarHBondContact O-CG 2.99Å; L351-L355 PolarHBondContact O-N 2.86Å; G353-L355 PolarHBondContact O-N 2.79Å; L355-A408 HydrophobicContact CD2-CB 4.13Å; L355-A411 HydrophobicContact CD2-CB 3.87Å; L355-A411 HydrophobicContact CG-CB 4.26Å; L355-R412 HydrophobicContact CD1-CG 4.08Å; L355-R412 HydrophobicContact CD2-CG 3.78Å
356	K	94.9	Very high	91.6	Very high	179 Å²	179	61.9 Å²	61.9	78%	0.778	30%	0.301	S	S	*	.	H	α-helix	trans	-84.4	-20.7	174.6	-72.6	171.1	-177.2	-179	0	114.2	D352 G353 Y354	D352-K356 WeakPolarHBondContact O-CD 3.38Å; D352-K356 VanDerWaalsContact O-CG 3.29Å; D352-K356 WeakPolarHBondContact O-CG 3.4Å; G353-K356 PolarHBondContact O-N 2.86Å; Y354-K356 PolarHBondContact O-N 2.81Å; Y354-K356 VanDerWaalsContact O-N 3.1Å
357	C	93.5	Very high	91.8	Very high	38 Å²	38	58.4 Å²	58.4	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-139.6	6.5	-172	65.6	0	0	0	0	116.4	G353 Y354 K359 T360 T361	G353-C357 PolarHBondContact O-SG 3.21Å; G353-C357 VanDerWaalsContact O-SG 3.35Å; Y354-C357 PolarHBondContact O-N 3.19Å; C357-K359 PolarHBondContact O-N 2.66Å; C357-T360 PolarHBondContact O-N 3Å; C357-T360 PolarHBondContact O-OG1 2.91Å; C357-T361 PolarHBondContact O-OG1 3Å
358	Y	94.3	Very high	91.9	Very high	32 Å²	32	59 Å²	59	13%	0.125	30%	0.298	C	S	.	.	H	α-helix	trans	-49.4	-36.9	-179.9	70.8	-79.2	0	0	0	114	Y354 G362 L404 E405 A408	Y354-Y358 WeakPolarHBondContact O-CB 3.18Å; Y354-Y358 PolarHBondContact O-N 2.95Å; Y358-G362 PolarHBondContact O-N 2.76Å; Y358-G362 VanDerWaalsContact O-N 3.14Å; Y358-L404 HydrophobicContact CD2-CB 4.18Å; Y358-L404 WeakPolarHBondContact CD2-O 3.43Å; Y358-E405 PolarHBondContact OH-OE2 2.86Å; Y358-E405 VanDerWaalsContact OH-OE2 3.13Å; Y358-A408 HydrophobicContact CD1-CB 4.12Å; Y358-A408 HydrophobicContact CD2-CB 3.64Å; Y358-A408 HydrophobicContact CE1-CB 4.09Å; Y358-A408 HydrophobicContact CE2-CB 3.6Å; Y358-A408 HydrophobicContact CG-CB 3.93Å
359	K	89.3	Confident	91.9	Very high	103 Å²	103	56.4 Å²	56.4	45%	0.448	29%	0.287	S	S	.	.	H	α-helix	trans	-69.5	-33.7	175.6	-67.9	-156	169.2	-160.1	0	114.9	C357 E401	C357-K359 PolarHBondContact O-N 2.66Å; K359-E401 WeakPolarHBondContact CE-OE2 3.34Å; K359-E401 IonicContact NZ-OE2 2.68Å; K359-E401 PolarHBondContact NZ-OE2 3.5Å
360	T	81.9	Confident	91.9	Very high	113 Å²	113	48.2 Å²	48.2	69%	0.693	26%	0.256	S	S	*	.	H	α-helix	trans	-79.7	-22.9	-170	65.8	0	0	0	0	113.7	C357	C357-T360 PolarHBondContact O-N 3Å; C357-T360 PolarHBondContact O-OG1 2.91Å
361	T	69.6	Low	91.8	Very high	82 Å²	82	47 Å²	47	50%	0.503	25%	0.251	S	S	.	.	H	α-helix	trans	-132	-0.7	-171.3	28.2	0	0	0	0	113.4	C357 M365	C357-T361 PolarHBondContact O-OG1 3Å; T361-M365 WeakPolarHBondContact OG1-CG 3.28Å
362	G	84.6	Confident	91.6	Very high	11 Å²	11	49.1 Å²	49.1	11%	0.113	26%	0.262	C	S	.	.			trans	68.5	-152.8	159.4	0	0	0	0	0	115.7	Y358 F364 M365 L404	Y358-G362 PolarHBondContact O-N 2.76Å; Y358-G362 VanDerWaalsContact O-N 3.14Å; G362-F364 VanDerWaalsContact C-N 3.29Å; G362-F364 PolarHBondContact O-N 3.32Å; G362-F364 VanDerWaalsContact O-N 3.13Å; G362-M365 WeakPolarHBondContact O-CB 3.38Å; G362-M365 PolarHBondContact O-N 2.93Å; G362-L404 VanDerWaalsContact C-CD2 3.46Å
363	Y	92.4	Very high	91.4	Very high	14 Å²	14	47.1 Å²	47.1	6%	0.055	25%	0.252	C	S	.	.	H	α-helix	trans	-43.5	-49.6	-171.7	175.6	-109.2	0	0	0	114.1	M365 F366 V367 L387 E388 Y391 F407	Y363-M365 PolarHBondContact O-N 3.46Å; Y363-M365 VanDerWaalsContact O-N 3.14Å; Y363-F366 PolarHBondContact O-N 2.99Å; Y363-V367 HydrophobicContact CD1-CG2 4.09Å; Y363-V367 HydrophobicContact CE1-CG2 3.54Å; Y363-V367 HydrophobicContact CE2-CG2 4.04Å; Y363-V367 VanDerWaalsContact CZ-CG2 3.48Å; Y363-V367 PolarHBondContact O-N 3.19Å; Y363-L387 HydrophobicContact CE2-CD2 4.37Å; Y363-L387 HydrophobicContact CE2-CG 4.02Å; Y363-E388 HydrophobicContact CE1-CB 4.44Å; Y363-E388 HydrophobicContact CE1-CG 4.23Å; Y363-E388 VanDerWaalsContact OH-CA 3.26Å; Y363-E388 WeakPolarHBondContact OH-CA 3.34Å; Y363-E388 WeakPolarHBondContact OH-CB 3.32Å; Y363-E388 PolarHBondContact OH-N 2.88Å; Y363-E388 VanDerWaalsContact OH-N 3.15Å; Y363-Y391 AromaticContact CD2-CD1 3.69Å; Y363-Y391 HydrophobicContact CD2-CD1 3.69Å; Y363-Y391 AromaticContact CD2-CD2 3.79Å; Y363-Y391 HydrophobicContact CD2-CD2 3.79Å; Y363-Y391 HydrophobicContact CD2-CE1 4.35Å; Y363-Y391 HydrophobicContact CD2-CE2 4.43Å; Y363-Y391 AromaticContact CD2-CG 3.37Å; Y363-Y391 HydrophobicContact CD2-CG 3.37Å; Y363-Y391 HydrophobicContact CE2-CD1 4.38Å; Y363-Y391 HydrophobicContact CE2-CG 4Å; Y363-Y391 AromaticContact CG-CD1 3.88Å; Y363-Y391 HydrophobicContact CG-CD1 3.88Å; Y363-Y391 HydrophobicContact CG-CD2 4.41Å; Y363-Y391 HydrophobicContact CG-CE1 4.17Å; Y363-Y391 HydrophobicContact CG-CG 4.02Å; Y363-F407 HydrophobicContact CD2-CE2 4.1Å
364	F	91.7	Very high	91.2	Very high	153 Å²	153	45.8 Å²	45.8	67%	0.671	24%	0.236	S	C	*	.	H	α-helix	trans	-64.4	-20.5	-175.3	-60.5	-68.4	0	0	0	113.9	G362 G368	G362-F364 VanDerWaalsContact C-N 3.29Å; G362-F364 PolarHBondContact O-N 3.32Å; G362-F364 VanDerWaalsContact O-N 3.13Å; F364-G368 PolarHBondContact O-N 3.32Å
365	M	92.8	Very high	90.2	Very high	59 Å²	59	49.3 Å²	49.3	29%	0.291	25%	0.253	S	S	.	.	H	α-helix	trans	-69	-33.5	171.4	-76.9	-60.5	-55.7	0	0	112.9	Y354 T361 G362 Y363 L369	Y354-M365 HydrophobicContact CD2-CB 3.92Å; Y354-M365 HydrophobicContact CD2-CE 4.48Å; Y354-M365 HydrophobicContact CE2-CB 3.93Å; T361-M365 WeakPolarHBondContact OG1-CG 3.28Å; G362-M365 WeakPolarHBondContact O-CB 3.38Å; G362-M365 PolarHBondContact O-N 2.93Å; Y363-M365 PolarHBondContact O-N 3.46Å; Y363-M365 VanDerWaalsContact O-N 3.14Å; M365-L369 WeakPolarHBondContact O-CB 3.29Å; M365-L369 PolarHBondContact O-N 2.76Å
366	F	95.6	Very high	88.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-77.3	-43.2	178.1	-171.7	-123.6	0	0	0	111	Y354 Y363 G368 L369 L370 L387 F407 F450 F451 F479	Y354-F366 HydrophobicContact CE1-CD2 4.12Å; Y354-F366 HydrophobicContact CE2-CB 3.89Å; Y354-F366 HydrophobicContact CE2-CD2 4.17Å; Y354-F366 AromaticContact CZ-CD2 3.7Å; Y363-F366 PolarHBondContact O-N 2.99Å; F366-G368 VanDerWaalsContact C-N 3.28Å; F366-G368 PolarHBondContact O-N 3Å; F366-L369 HydrophobicContact CD2-CD2 4.27Å; F366-L369 HydrophobicContact CE2-CD2 4.45Å; F366-L369 WeakPolarHBondContact O-CB 3.26Å; F366-L369 PolarHBondContact O-N 2.82Å; F366-L369 VanDerWaalsContact O-N 3.12Å; F366-L370 HydrophobicContact CD1-CD1 4.18Å; F366-L370 HydrophobicContact CE1-CD1 4.01Å; F366-L370 HydrophobicContact CZ-CD1 4.42Å; F366-L370 HydrophobicContact CZ-CD2 4.41Å; F366-L370 WeakPolarHBondContact O-CG 3.4Å; F366-L370 PolarHBondContact O-N 3.16Å; F366-L387 HydrophobicContact CD1-CD1 4.48Å; F366-L387 HydrophobicContact CD1-CD2 4.02Å; F366-L387 HydrophobicContact CE1-CD1 4.26Å; F366-L387 HydrophobicContact CE1-CD2 4.21Å; F366-F407 HydrophobicContact CB-CB 4.34Å; F366-F407 HydrophobicContact CB-CD2 3.89Å; F366-F407 HydrophobicContact CB-CG 4.38Å; F366-F407 HydrophobicContact CD1-CB 3.87Å; F366-F407 AromaticContact CD1-CD1 3.94Å; F366-F407 HydrophobicContact CD1-CD1 3.94Å; F366-F407 AromaticContact CD1-CD2 3.6Å; F366-F407 HydrophobicContact CD1-CD2 3.6Å; F366-F407 HydrophobicContact CD1-CE1 4.37Å; F366-F407 HydrophobicContact CD1-CE2 4.07Å; F366-F407 AromaticContact CD1-CG 3.53Å; F366-F407 HydrophobicContact CD1-CG 3.53Å; F366-F407 HydrophobicContact CD1-CZ 4.42Å; F366-F407 HydrophobicContact CD2-CB 3.87Å; F366-F407 HydrophobicContact CD2-CG 4.45Å; F366-F407 HydrophobicContact CE1-CB 4.08Å; F366-F407 AromaticContact CE1-CD1 3.84Å; F366-F407 HydrophobicContact CE1-CD1 3.84Å; F366-F407 HydrophobicContact CE1-CD2 4.34Å; F366-F407 HydrophobicContact CE1-CE1 4.35Å; F366-F407 AromaticContact CE1-CG 3.84Å; F366-F407 HydrophobicContact CE1-CG 3.84Å; F366-F407 HydrophobicContact CE2-CB 4.08Å; F366-F407 HydrophobicContact CG-CB 3.77Å; F366-F407 AromaticContact CG-CD2 3.87Å; F366-F407 HydrophobicContact CG-CD2 3.87Å; F366-F407 AromaticContact CG-CG 3.89Å; F366-F407 HydrophobicContact CG-CG 3.89Å; F366-F407 HydrophobicContact CZ-CB 4.19Å; F366-F407 HydrophobicContact CZ-CG 4.42Å; F366-F450 HydrophobicContact CZ-CD1 4.15Å; F366-F450 HydrophobicContact CZ-CE1 4.45Å; F366-F451 HydrophobicContact CE2-CZ 4.32Å; F366-F479 HydrophobicContact CE1-CZ 4.42Å
367	V	94.5	Very high	87.3	Confident	16 Å²	16	45.8 Å²	45.8	10%	0.097	24%	0.24	C	C	.	.	H	α-helix	trans	-54.9	-46.4	168.6	179.8	0	0	0	0	110.8	Y363 L369 L370 H371 L384 L387	Y363-V367 HydrophobicContact CD1-CG2 4.09Å; Y363-V367 HydrophobicContact CE1-CG2 3.54Å; Y363-V367 HydrophobicContact CE2-CG2 4.04Å; Y363-V367 VanDerWaalsContact CZ-CG2 3.48Å; Y363-V367 PolarHBondContact O-N 3.19Å; V367-L369 PolarHBondContact O-N 3.42Å; V367-L370 PolarHBondContact O-N 3.37Å; V367-H371 PolarHBondContact O-N 3.22Å; V367-L384 HydrophobicContact CB-CD1 4.49Å; V367-L384 HydrophobicContact CG1-CD1 4.02Å; V367-L384 HydrophobicContact CG2-CD1 4.31Å; V367-L387 HydrophobicContact CG2-CD2 4.4Å
368	G	92.3	Very high	85.8	Confident	22 Å²	22	48.6 Å²	48.6	23%	0.227	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-43.8	174.7	0	0	0	0	0	112.8	F364 F366 N372	F364-G368 PolarHBondContact O-N 3.32Å; F366-G368 VanDerWaalsContact C-N 3.28Å; F366-G368 PolarHBondContact O-N 3Å; G368-N372 WeakPolarHBondContact O-CB 3.17Å; G368-N372 PolarHBondContact O-N 2.84Å; G368-N372 PolarHBondContact O-ND2 3.49Å
369	L	94.4	Very high	84.3	Confident	6 Å²	6	51.4 Å²	51.4	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-49.3	174.8	175	65.9	0	0	0	111.3	K350 L351 Y354 M365 F366 V367 H371 N372 M373 A411 F451	K350-L369 HydrophobicContact CB-CD1 4.01Å; L351-L369 HydrophobicContact CD2-CD1 4.26Å; L351-L369 HydrophobicContact CD2-CD2 4.05Å; Y354-L369 HydrophobicContact CD1-CD2 3.59Å; Y354-L369 HydrophobicContact CD2-CB 4.29Å; Y354-L369 HydrophobicContact CD2-CD2 4.32Å; Y354-L369 HydrophobicContact CE1-CD2 4.12Å; Y354-L369 HydrophobicContact CG-CB 4.33Å; Y354-L369 HydrophobicContact CG-CD2 3.7Å; Y354-L369 HydrophobicContact CG-CG 4.49Å; M365-L369 WeakPolarHBondContact O-CB 3.29Å; M365-L369 PolarHBondContact O-N 2.76Å; F366-L369 HydrophobicContact CD2-CD2 4.27Å; F366-L369 HydrophobicContact CE2-CD2 4.45Å; F366-L369 WeakPolarHBondContact O-CB 3.26Å; F366-L369 PolarHBondContact O-N 2.82Å; F366-L369 VanDerWaalsContact O-N 3.12Å; V367-L369 PolarHBondContact O-N 3.42Å; L369-H371 PolarHBondContact O-N 2.91Å; L369-N372 PolarHBondContact O-N 3.16Å; L369-N372 VanDerWaalsContact O-N 3.14Å; L369-M373 HydrophobicContact CD1-CG 3.75Å; L369-M373 HydrophobicContact CD1-SD 4.23Å; L369-M373 HydrophobicContact CG-CG 4.17Å; L369-M373 WeakPolarHBondContact O-CG 3.35Å; L369-M373 PolarHBondContact O-N 2.71Å; L369-A411 HydrophobicContact CD2-CB 4.22Å; L369-F451 HydrophobicContact CD2-CE1 3.7Å; L369-F451 HydrophobicContact CD2-CZ 3.91Å; L369-F451 HydrophobicContact CG-CE1 3.87Å
370	L	94.9	Very high	83.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-54.6	-54.9	179.5	-69.4	167.7	0	0	0	110.8	F366 V367 N372 M373 W374 L384 L387 F450 F451 L464	F366-L370 HydrophobicContact CD1-CD1 4.18Å; F366-L370 HydrophobicContact CE1-CD1 4.01Å; F366-L370 HydrophobicContact CZ-CD1 4.42Å; F366-L370 HydrophobicContact CZ-CD2 4.41Å; F366-L370 WeakPolarHBondContact O-CG 3.4Å; F366-L370 PolarHBondContact O-N 3.16Å; V367-L370 PolarHBondContact O-N 3.37Å; L370-N372 VanDerWaalsContact C-N 3.3Å; L370-N372 PolarHBondContact O-N 3.31Å; L370-M373 PolarHBondContact O-N 2.76Å; L370-W374 HydrophobicContact CB-CD2 4.47Å; L370-W374 HydrophobicContact CB-CH2 4.19Å; L370-W374 HydrophobicContact CB-CZ2 3.94Å; L370-W374 HydrophobicContact CD2-CZ2 4.11Å; L370-W374 HydrophobicContact CG-CZ2 4.42Å; L370-W374 WeakPolarHBondContact O-CB 3.45Å; L370-W374 PolarHBondContact O-N 3.1Å; L370-L384 HydrophobicContact CD1-CD1 3.84Å; L370-L387 HydrophobicContact CD1-CD2 3.73Å; L370-F450 HydrophobicContact CD2-CB 4.22Å; L370-F450 HydrophobicContact CD2-CD1 4.26Å; L370-F450 VanDerWaalsContact CD2-O 3.3Å; L370-F450 WeakPolarHBondContact CD2-O 3.42Å; L370-F451 HydrophobicContact CD2-CD1 4.02Å; L370-F451 HydrophobicContact CD2-CE1 3.83Å; L370-L464 HydrophobicContact CD1-CD1 4.24Å; L370-L464 HydrophobicContact CD2-CD1 4.48Å
371	H	91.9	Very high	82.6	Confident	34 Å²	34	44.5 Å²	44.5	16%	0.157	24%	0.24	C	C	.	.	H	α-helix	trans	-56.9	-41.4	176.7	-63.9	172.6	0	0	0	112.3	V367 L369 M373 W374 F376 T381 Y382	V367-H371 PolarHBondContact O-N 3.22Å; L369-H371 PolarHBondContact O-N 2.91Å; H371-M373 VanDerWaalsContact C-N 3.32Å; H371-M373 PolarHBondContact O-N 3.27Å; H371-W374 AromaticContact CD2-CE3 3.71Å; H371-W374 AromaticContact CD2-CZ3 3.63Å; H371-W374 PolarHBondContact O-N 2.74Å; H371-F376 HydrophobicContact CB-CD1 4.43Å; H371-F376 HydrophobicContact CB-CG 4.42Å; H371-F376 WeakPolarHBondContact O-CB 3.2Å; H371-T381 WeakPolarHBondContact NE2-CG2 3.22Å; H371-Y382 PolarHBondContact NE2-O 3Å
372	N	90.8	Very high	83.1	Confident	49 Å²	49	42.6 Å²	42.6	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-65.6	-30.5	177.1	-82.9	-80.5	0	0	0	114.1	Y346 K350 G368 L369 L370	Y346-N372 PolarHBondContact OH-OD1 3.19Å; K350-N372 HydrophobicContact CD-CB 3.87Å; K350-N372 WeakPolarHBondContact CE-OD1 3.49Å; K350-N372 HydrophobicContact CG-CB 4.19Å; K350-N372 PolarHBondContact NZ-OD1 2.68Å; G368-N372 WeakPolarHBondContact O-CB 3.17Å; G368-N372 PolarHBondContact O-N 2.84Å; G368-N372 PolarHBondContact O-ND2 3.49Å; L369-N372 PolarHBondContact O-N 3.16Å; L369-N372 VanDerWaalsContact O-N 3.14Å; L370-N372 VanDerWaalsContact C-N 3.3Å; L370-N372 PolarHBondContact O-N 3.31Å
373	M	91.4	Very high	83.4	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.02	25%	0.247	C	C	.	.	H	α-helix	trans	-84.5	-23.7	-179.2	-65.4	-72.2	-69.5	0	0	112.7	R330 F347 K350 L351 L369 L370 H371 E375 F451	R330-M373 PolarHBondContact NH2-O 3.12Å; R330-M373 VanDerWaalsContact NH2-O 3.14Å; F347-M373 HydrophobicContact CB-CE 3.9Å; F347-M373 HydrophobicContact CB-SD 3.64Å; F347-M373 HydrophobicContact CD1-CE 4.48Å; F347-M373 HydrophobicContact CD1-SD 3.71Å; F347-M373 HydrophobicContact CG-CE 4.33Å; F347-M373 HydrophobicContact CG-SD 4Å; K350-M373 HydrophobicContact CB-SD 4.41Å; L351-M373 HydrophobicContact CD1-CE 3.9Å; L351-M373 HydrophobicContact CD2-CE 4.35Å; L351-M373 HydrophobicContact CG-CE 4.03Å; L351-M373 HydrophobicContact CG-SD 4.21Å; L369-M373 HydrophobicContact CD1-CG 3.75Å; L369-M373 HydrophobicContact CD1-SD 4.23Å; L369-M373 HydrophobicContact CG-CG 4.17Å; L369-M373 WeakPolarHBondContact O-CG 3.35Å; L369-M373 PolarHBondContact O-N 2.71Å; L370-M373 PolarHBondContact O-N 2.76Å; H371-M373 VanDerWaalsContact C-N 3.32Å; H371-M373 PolarHBondContact O-N 3.27Å; M373-E375 PolarHBondContact O-N 3.07Å; M373-F451 HydrophobicContact CB-CB 3.99Å; M373-F451 HydrophobicContact CB-CD1 3.77Å; M373-F451 HydrophobicContact CB-CG 4.27Å; M373-F451 HydrophobicContact CE-CB 3.76Å; M373-F451 HydrophobicContact CE-CD1 4.19Å; M373-F451 HydrophobicContact CE-CG 3.89Å; M373-F451 HydrophobicContact CG-CB 4.43Å; M373-F451 HydrophobicContact CG-CD1 3.66Å; M373-F451 HydrophobicContact CG-CE1 4.31Å; M373-F451 HydrophobicContact CG-CG 4.27Å
374	W	90.6	Very high	83.5	Confident	5 Å²	5	48.3 Å²	48.3	2%	0.019	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	7.2	178	-69.9	-8.2	0	0	0	114.8	L370 H371 F376 Y382 L384 F450 A452 P454 C461 L464	L370-W374 HydrophobicContact CB-CD2 4.47Å; L370-W374 HydrophobicContact CB-CH2 4.19Å; L370-W374 HydrophobicContact CB-CZ2 3.94Å; L370-W374 HydrophobicContact CD2-CZ2 4.11Å; L370-W374 HydrophobicContact CG-CZ2 4.42Å; L370-W374 WeakPolarHBondContact O-CB 3.45Å; L370-W374 PolarHBondContact O-N 3.1Å; H371-W374 AromaticContact CD2-CE3 3.71Å; H371-W374 AromaticContact CD2-CZ3 3.63Å; H371-W374 PolarHBondContact O-N 2.74Å; W374-F376 VanDerWaalsContact C-N 3.29Å; W374-F376 PolarHBondContact O-N 3.41Å; W374-Y382 HydrophobicContact CE3-CD2 4.3Å; W374-Y382 HydrophobicContact CZ3-CD2 4.44Å; W374-Y382 HydrophobicContact CZ3-CG 4.43Å; W374-L384 HydrophobicContact CH2-CD1 4.29Å; W374-L384 HydrophobicContact CH2-CD2 3.7Å; W374-L384 HydrophobicContact CZ3-CD2 3.99Å; W374-F450 PolarHBondContact NE1-O 2.94Å; W374-A452 PolarHBondContact NE1-O 3.1Å; W374-P454 HydrophobicContact CB-CG 4.29Å; W374-P454 HydrophobicContact CD2-CG 3.97Å; W374-P454 HydrophobicContact CE3-CG 3.88Å; W374-P454 HydrophobicContact CG-CG 4.16Å; W374-C461 HydrophobicContact CH2-CB 3.96Å; W374-C461 VanDerWaalsContact CH2-SG 3.58Å; W374-C461 HydrophobicContact CZ2-CB 3.85Å; W374-L464 HydrophobicContact CH2-CD1 4.39Å; W374-L464 HydrophobicContact CZ2-CD1 4.04Å
375	E	77.4	Confident	83.8	Confident	79 Å²	79	43.3 Å²	43.3	37%	0.369	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	44.8	-179.1	-71.6	168.2	-167.9	0	0	112.4	R330 F347 M373 R453	R330-E375 IonicContact CZ-OE1 3.83Å; R330-E375 IonicContact NE-OE1 3.76Å; R330-E375 PolarHBondContact NE-OE1 2.93Å; R330-E375 IonicContact NH2-OE1 3.78Å; R330-E375 PolarHBondContact NH2-OE1 3.33Å; F347-E375 HydrophobicContact CE1-CG 4.07Å; F347-E375 HydrophobicContact CZ-CG 3.53Å; F347-E375 VanDerWaalsContact CZ-OE1 3.31Å; F347-E375 WeakPolarHBondContact CZ-OE1 3.3Å; M373-E375 PolarHBondContact O-N 3.07Å; E375-R453 VanDerWaalsContact CB-NH1 3.33Å; E375-R453 WeakPolarHBondContact OE2-CD 3.39Å; E375-R453 IonicContact OE2-CZ 3.43Å; E375-R453 IonicContact OE2-NE 2.68Å; E375-R453 IonicContact OE2-NH1 3.45Å; E375-R453 PolarHBondContact OE2-NH1 3.22Å
376	F	67.4	Low	84	Confident	56 Å²	56	40.5 Å²	40.5	25%	0.246	22%	0.215	C	C	.	.			trans	-68.5	129.2	-169.1	178.9	-115.7	0	0	0	114.9	H371 W374 I380 Y382	H371-F376 HydrophobicContact CB-CD1 4.43Å; H371-F376 HydrophobicContact CB-CG 4.42Å; H371-F376 WeakPolarHBondContact O-CB 3.2Å; W374-F376 VanDerWaalsContact C-N 3.29Å; W374-F376 PolarHBondContact O-N 3.41Å; F376-I380 HydrophobicContact CE2-CB 4Å; F376-I380 VanDerWaalsContact CE2-O 3.25Å; F376-I380 WeakPolarHBondContact CE2-O 3.31Å; F376-Y382 HydrophobicContact CD2-CD2 4.4Å; F376-Y382 HydrophobicContact CD2-CE2 4.49Å; F376-Y382 HydrophobicContact CE2-CD2 4.3Å
377	D	62.9	Low	84.2	Confident	85 Å²	85	40.5 Å²	40.5	46%	0.455	22%	0.215	S	C	.	.			trans	-67.7	121.7	159.2	177.1	-23.4	0	0	0	108.8	D379 I380	D377-D379 PolarHBondContact O-N 3.14Å; D377-D379 PolarHBondContact OD1-N 2.85Å; D377-D379 VanDerWaalsContact OD1-N 3.1Å; D377-I380 HydrophobicContact CB-CD1 3.92Å; D377-I380 HydrophobicContact CB-CG1 4.23Å; D377-I380 PolarHBondContact O-N 2.93Å
378	P	60.9	Low	84.3	Confident	98 Å²	98	45 Å²	45	64%	0.636	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-21.1	-173.3	21.4	-33.5	0	0	0	116.1
379	D	61.8	Low	84.6	Confident	90 Å²	90	47.3 Å²	47.3	48%	0.481	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-12.1	-175.1	-80.3	-26.3	0	0	0	115.5	K4 D377	K4-D379 PolarHBondContact N-O 3.23Å; D377-D379 PolarHBondContact O-N 3.14Å; D377-D379 PolarHBondContact OD1-N 2.85Å; D377-D379 VanDerWaalsContact OD1-N 3.1Å
380	I	65.6	Low	84.8	Confident	38 Å²	38	47.1 Å²	47.1	20%	0.195	24%	0.24	C	C	.	.			trans	-107	40.2	-160.7	-54.4	-178.7	0	0	0	113.5	I6 F376 D377 Y382	I6-I380 HydrophobicContact CB-CG2 4.19Å; I6-I380 HydrophobicContact CD1-CD1 4.34Å; I6-I380 HydrophobicContact CD1-CG2 3.49Å; I6-I380 VanDerWaalsContact CD1-CG2 3.49Å; I6-I380 HydrophobicContact CG1-CG2 3.81Å; F376-I380 HydrophobicContact CE2-CB 4Å; F376-I380 VanDerWaalsContact CE2-O 3.25Å; F376-I380 WeakPolarHBondContact CE2-O 3.31Å; D377-I380 HydrophobicContact CB-CD1 3.92Å; D377-I380 HydrophobicContact CB-CG1 4.23Å; D377-I380 PolarHBondContact O-N 2.93Å; I380-Y382 PolarHBondContact O-N 3.32Å
381	T	71.4	Confident	85	Confident	34 Å²	34	49 Å²	49	21%	0.209	25%	0.247	C	C	.	.			trans	-56.7	107.6	-162.2	-47.1	0	0	0	0	114.7	K3 H371	K3-T381 PolarHBondContact NZ-OG1 3.32Å; H371-T381 WeakPolarHBondContact NE2-CG2 3.22Å
382	Y	79.3	Confident	85.3	Confident	42 Å²	42	53.3 Å²	53.3	17%	0.165	27%	0.265	C	S	.	.			trans	-61.8	137.1	172.7	-70.3	-84.2	0	0	0	111.2	L8 H371 W374 F376 I380 P454	L8-Y382 HydrophobicContact CD1-CE1 4.1Å; L8-Y382 HydrophobicContact CD2-CE1 4.31Å; L8-Y382 HydrophobicContact CG-CE1 4.19Å; H371-Y382 PolarHBondContact NE2-O 3Å; W374-Y382 HydrophobicContact CE3-CD2 4.3Å; W374-Y382 HydrophobicContact CZ3-CD2 4.44Å; W374-Y382 HydrophobicContact CZ3-CG 4.43Å; F376-Y382 HydrophobicContact CD2-CD2 4.4Å; F376-Y382 HydrophobicContact CD2-CE2 4.49Å; F376-Y382 HydrophobicContact CE2-CD2 4.3Å; I380-Y382 PolarHBondContact O-N 3.32Å; Y382-P454 HydrophobicContact CD2-CG 4.48Å; Y382-P454 HydrophobicContact CE1-CB 4.29Å; Y382-P454 HydrophobicContact CE1-CG 4.44Å; Y382-P454 HydrophobicContact CE2-CB 4.39Å; Y382-P454 HydrophobicContact CE2-CG 3.81Å
383	K	90.4	Very high	85.6	Confident	139 Å²	139	54.3 Å²	54.3	60%	0.604	27%	0.268	S	S	*	.			trans	-89.7	142.2	167.7	-61.7	176.2	-176.2	168.6	0	108.5	P385 S465	K383-P385 WeakPolarHBondContact O-CD 3.35Å; K383-S465 WeakPolarHBondContact O-CA 3.26Å; K383-S465 WeakPolarHBondContact O-CB 3.31Å
384	L	95.4	Very high	85.9	Confident	6 Å²	6	55.1 Å²	55.1	3%	0.031	27%	0.272	C	S	.	.			trans	-120.3	59.1	179.5	-53.2	-179	0	0	0	112.3	V367 L370 W374 A386 L387 E388 L464	V367-L384 HydrophobicContact CB-CD1 4.49Å; V367-L384 HydrophobicContact CG1-CD1 4.02Å; V367-L384 HydrophobicContact CG2-CD1 4.31Å; L370-L384 HydrophobicContact CD1-CD1 3.84Å; W374-L384 HydrophobicContact CH2-CD1 4.29Å; W374-L384 HydrophobicContact CH2-CD2 3.7Å; W374-L384 HydrophobicContact CZ3-CD2 3.99Å; L384-A386 PolarHBondContact O-N 3.33Å; L384-L387 HydrophobicContact CB-CB 3.94Å; L384-L387 HydrophobicContact CB-CD2 4.39Å; L384-L387 HydrophobicContact CD1-CD2 3.83Å; L384-L387 PolarHBondContact O-N 2.65Å; L384-L387 VanDerWaalsContact O-N 3.09Å; L384-E388 PolarHBondContact O-N 3.08Å; L384-L464 CarbonylContact C-O 3.48Å; L384-L464 WeakPolarHBondContact CA-O 3.45Å; L384-L464 HydrophobicContact CD2-CB 4.04Å
385	P	97.4	Very high	86.2	Confident	47 Å²	47	55.7 Å²	55.7	31%	0.305	28%	0.277	S	S	.	.	H	α-helix	trans	-59.3	-39.2	-172.1	18.9	-30.2	0	0	0	114.5	K383 L387 E388 M389 S465 S466	K383-P385 WeakPolarHBondContact O-CD 3.35Å; P385-L387 PolarHBondContact O-N 2.87Å; P385-E388 PolarHBondContact O-N 2.89Å; P385-M389 WeakPolarHBondContact O-CB 3.45Å; P385-M389 PolarHBondContact O-N 2.9Å; P385-S465 WeakPolarHBondContact CD-O 3.33Å; P385-S465 WeakPolarHBondContact CG-O 3.28Å; P385-S466 WeakPolarHBondContact CG-O 3.39Å
386	A	98.1	Very high	87.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-40	174	0	0	0	0	0	112.2	L384 E388 Y390 I463 L464 S466 C471 V472 L475	L384-A386 PolarHBondContact O-N 3.33Å; A386-E388 VanDerWaalsContact C-N 3.34Å; A386-Y390 WeakPolarHBondContact O-CB 3.32Å; A386-Y390 PolarHBondContact O-N 2.8Å; A386-I463 WeakPolarHBondContact CB-O 3.25Å; A386-L464 PolarHBondContact N-O 3.46Å; A386-S466 WeakPolarHBondContact CB-O 3.24Å; A386-S466 PolarHBondContact N-O 2.83Å; A386-C471 HydrophobicContact CB-CB 3.94Å; A386-V472 HydrophobicContact CB-CG2 4.11Å; A386-L475 HydrophobicContact CB-CD1 4.17Å
387	L	98.5	Very high	88.6	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-68.2	-34.7	176.4	-173.5	63.7	0	0	0	112	Y363 F366 V367 L370 L384 P385 Y391 F407 L464 L475 F479	Y363-L387 HydrophobicContact CE2-CD2 4.37Å; Y363-L387 HydrophobicContact CE2-CG 4.02Å; F366-L387 HydrophobicContact CD1-CD1 4.48Å; F366-L387 HydrophobicContact CD1-CD2 4.02Å; F366-L387 HydrophobicContact CE1-CD1 4.26Å; F366-L387 HydrophobicContact CE1-CD2 4.21Å; V367-L387 HydrophobicContact CG2-CD2 4.4Å; L370-L387 HydrophobicContact CD1-CD2 3.73Å; L384-L387 HydrophobicContact CB-CB 3.94Å; L384-L387 HydrophobicContact CB-CD2 4.39Å; L384-L387 HydrophobicContact CD1-CD2 3.83Å; L384-L387 PolarHBondContact O-N 2.65Å; L384-L387 VanDerWaalsContact O-N 3.09Å; P385-L387 PolarHBondContact O-N 2.87Å; L387-Y391 VanDerWaalsContact O-CB 3.28Å; L387-Y391 WeakPolarHBondContact O-CB 3.43Å; L387-Y391 PolarHBondContact O-N 2.83Å; L387-F407 HydrophobicContact CD1-CE1 3.9Å; L387-F407 HydrophobicContact CD1-CZ 3.9Å; L387-L464 HydrophobicContact CB-CD2 3.92Å; L387-L464 HydrophobicContact CD1-CD2 3.79Å; L387-L464 HydrophobicContact CD2-CD2 4.14Å; L387-L464 HydrophobicContact CG-CD2 4.13Å; L387-L475 HydrophobicContact CB-CD1 4.49Å; L387-L475 HydrophobicContact CD1-CD1 4.41Å; L387-F479 HydrophobicContact CD1-CE2 4.19Å; L387-F479 HydrophobicContact CD1-CZ 4.05Å
388	E	98.1	Very high	90.2	Very high	110 Å²	110	61.3 Å²	61.3	51%	0.514	31%	0.309	S	S	.	.	H	α-helix	trans	-70.7	-44.2	177.6	-166.9	168	171.7	0	0	111.6	Y363 L384 P385 A386 Y391 K392	Y363-E388 HydrophobicContact CE1-CB 4.44Å; Y363-E388 HydrophobicContact CE1-CG 4.23Å; Y363-E388 VanDerWaalsContact OH-CA 3.26Å; Y363-E388 WeakPolarHBondContact OH-CA 3.34Å; Y363-E388 WeakPolarHBondContact OH-CB 3.32Å; Y363-E388 PolarHBondContact OH-N 2.88Å; Y363-E388 VanDerWaalsContact OH-N 3.15Å; L384-E388 PolarHBondContact O-N 3.08Å; P385-E388 PolarHBondContact O-N 2.89Å; A386-E388 VanDerWaalsContact C-N 3.34Å; E388-Y391 PolarHBondContact O-N 3.42Å; E388-K392 PolarHBondContact O-N 2.88Å
389	M	98.4	Very high	91.9	Very high	72 Å²	72	58.1 Å²	58.1	36%	0.355	29%	0.294	S	S	.	.	H	α-helix	trans	-67.3	-42.2	175.9	-172.9	153.6	70	0	0	111.5	P385 Y391 K392 E393 V472	P385-M389 WeakPolarHBondContact O-CB 3.45Å; P385-M389 PolarHBondContact O-N 2.9Å; M389-Y391 PolarHBondContact O-N 2.87Å; M389-K392 PolarHBondContact O-N 2.98Å; M389-E393 WeakPolarHBondContact O-CG 3.35Å; M389-E393 PolarHBondContact O-N 2.7Å; M389-V472 HydrophobicContact CB-CG2 3.9Å; M389-V472 HydrophobicContact CE-CB 4.5Å; M389-V472 HydrophobicContact CE-CG2 3.48Å; M389-V472 VanDerWaalsContact CE-CG2 3.48Å; M389-V472 HydrophobicContact CG-CG2 4.02Å
390	Y	98.6	Very high	93.5	Very high	2 Å²	2	62 Å²	62	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-57.1	-48.5	169.5	176	-89.2	0	0	0	111.7	A386 K392 E393 M394 V403 K406 F407 L475 K476 F479	A386-Y390 WeakPolarHBondContact O-CB 3.32Å; A386-Y390 PolarHBondContact O-N 2.8Å; Y390-K392 VanDerWaalsContact C-N 3.29Å; Y390-K392 PolarHBondContact O-N 3.43Å; Y390-E393 PolarHBondContact O-N 3.12Å; Y390-M394 HydrophobicContact CD1-CG 4.4Å; Y390-M394 HydrophobicContact CD2-CG 3.94Å; Y390-M394 HydrophobicContact CE1-CB 4.41Å; Y390-M394 HydrophobicContact CE1-CG 4.03Å; Y390-M394 HydrophobicContact CE2-CG 3.53Å; Y390-M394 HydrophobicContact CE2-SD 4.4Å; Y390-M394 HydrophobicContact CG-CG 4.34Å; Y390-M394 WeakPolarHBondContact O-CB 3.44Å; Y390-M394 WeakPolarHBondContact O-CG 3.5Å; Y390-M394 PolarHBondContact O-N 3.26Å; Y390-V403 HydrophobicContact CE1-CG1 4Å; Y390-K406 WeakPolarHBondContact OH-CD 3.13Å; Y390-F407 HydrophobicContact CD1-CE1 4.06Å; Y390-F407 HydrophobicContact CD1-CZ 4.25Å; Y390-F407 AromaticContact CE1-CE1 3.9Å; Y390-F407 HydrophobicContact CE1-CE1 3.9Å; Y390-F407 HydrophobicContact CE1-CZ 4.39Å; Y390-L475 HydrophobicContact CD2-CB 3.64Å; Y390-L475 HydrophobicContact CE2-CB 4.18Å; Y390-L475 HydrophobicContact CG-CB 4Å; Y390-L475 HydrophobicContact CG-CD1 4.3Å; Y390-K476 HydrophobicContact CD2-CG 4.01Å; Y390-K476 HydrophobicContact CE2-CB 4.41Å; Y390-K476 HydrophobicContact CE2-CG 3.73Å; Y390-F479 AromaticContact CD1-CD2 3.98Å; Y390-F479 HydrophobicContact CD1-CD2 3.98Å; Y390-F479 AromaticContact CD1-CE2 3.82Å; Y390-F479 HydrophobicContact CD1-CE2 3.82Å; Y390-F479 HydrophobicContact CD2-CD2 4.36Å; Y390-F479 AromaticContact CE1-CD2 3.37Å; Y390-F479 HydrophobicContact CE1-CD2 3.37Å; Y390-F479 AromaticContact CE1-CE2 3.61Å; Y390-F479 HydrophobicContact CE1-CE2 3.61Å; Y390-F479 HydrophobicContact CE1-CG 4.17Å; Y390-F479 AromaticContact CE2-CD2 3.79Å; Y390-F479 HydrophobicContact CE2-CD2 3.79Å; Y390-F479 HydrophobicContact CE2-CE2 4.49Å; Y390-F479 HydrophobicContact CG-CD2 4.45Å; Y390-F479 HydrophobicContact CG-CE2 4.37Å; Y390-F479 AromaticContact CZ-CD2 3.27Å; Y390-F479 AromaticContact CZ-CE2 3.99Å; Y390-F479 AromaticContact CZ-CG 3.96Å; Y390-F479 WeakPolarHBondContact OH-CB 3.41Å
391	Y	98.4	Very high	95	Very high	40 Å²	40	65.9 Å²	65.9	16%	0.157	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-40.2	178.9	171.9	-101	0	0	0	111.6	Y363 L387 E388 M389 S395 V403 L404 F407	Y363-Y391 AromaticContact CD2-CD1 3.69Å; Y363-Y391 HydrophobicContact CD2-CD1 3.69Å; Y363-Y391 AromaticContact CD2-CD2 3.79Å; Y363-Y391 HydrophobicContact CD2-CD2 3.79Å; Y363-Y391 HydrophobicContact CD2-CE1 4.35Å; Y363-Y391 HydrophobicContact CD2-CE2 4.43Å; Y363-Y391 AromaticContact CD2-CG 3.37Å; Y363-Y391 HydrophobicContact CD2-CG 3.37Å; Y363-Y391 HydrophobicContact CE2-CD1 4.38Å; Y363-Y391 HydrophobicContact CE2-CG 4Å; Y363-Y391 AromaticContact CG-CD1 3.88Å; Y363-Y391 HydrophobicContact CG-CD1 3.88Å; Y363-Y391 HydrophobicContact CG-CD2 4.41Å; Y363-Y391 HydrophobicContact CG-CE1 4.17Å; Y363-Y391 HydrophobicContact CG-CG 4.02Å; L387-Y391 VanDerWaalsContact O-CB 3.28Å; L387-Y391 WeakPolarHBondContact O-CB 3.43Å; L387-Y391 PolarHBondContact O-N 2.83Å; E388-Y391 PolarHBondContact O-N 3.42Å; M389-Y391 PolarHBondContact O-N 2.87Å; Y391-S395 WeakPolarHBondContact CE2-OG 3.31Å; Y391-S395 WeakPolarHBondContact O-CB 3.31Å; Y391-S395 PolarHBondContact O-N 2.81Å; Y391-S395 PolarHBondContact O-OG 2.92Å; Y391-V403 HydrophobicContact CD2-CB 4.28Å; Y391-V403 HydrophobicContact CD2-CG1 3.75Å; Y391-V403 HydrophobicContact CE2-CG1 4.45Å; Y391-L404 HydrophobicContact CE2-CD2 4.06Å; Y391-L404 HydrophobicContact CE2-CG 4.36Å; Y391-F407 AromaticContact CD2-CE2 3.89Å; Y391-F407 HydrophobicContact CD2-CE2 3.89Å; Y391-F407 HydrophobicContact CD2-CZ 4.21Å
392	K	97.9	Very high	96.2	Very high	124 Å²	124	67.1 Å²	67.1	54%	0.539	32%	0.323	S	S	.	.	H	α-helix	trans	-63.9	-60.5	175.4	-175	-169.8	168.8	-168.4	0	111.6	E388 M389 Y390 M394 S395 E396	E388-K392 PolarHBondContact O-N 2.88Å; M389-K392 PolarHBondContact O-N 2.98Å; Y390-K392 VanDerWaalsContact C-N 3.29Å; Y390-K392 PolarHBondContact O-N 3.43Å; K392-M394 VanDerWaalsContact C-N 3.32Å; K392-M394 PolarHBondContact O-N 2.8Å; K392-S395 PolarHBondContact O-N 3.17Å; K392-S395 VanDerWaalsContact O-N 3.08Å; K392-E396 WeakPolarHBondContact CE-OE1 3.2Å; K392-E396 WeakPolarHBondContact CG-OE1 3.48Å; K392-E396 IonicContact NZ-OE1 3.99Å; K392-E396 PolarHBondContact O-N 3.32Å
393	E	97.8	Very high	97	Very high	69 Å²	69	65.1 Å²	65.1	32%	0.322	32%	0.315	S	S	.	.	H	α-helix	trans	-52.5	-49.3	-177.5	-75.3	179.7	-152.7	0	0	111.5	M389 Y390 E396 L397 K476	M389-E393 WeakPolarHBondContact O-CG 3.35Å; M389-E393 PolarHBondContact O-N 2.7Å; Y390-E393 PolarHBondContact O-N 3.12Å; E393-E396 PolarHBondContact O-N 2.89Å; E393-L397 PolarHBondContact O-N 2.73Å; E393-K476 VanDerWaalsContact OE2-CE 3.29Å; E393-K476 WeakPolarHBondContact OE2-CE 3.21Å; E393-K476 IonicContact OE2-NZ 3.71Å; E393-K476 PolarHBondContact OE2-NZ 3.17Å
394	M	97.8	Very high	97.4	Very high	22 Å²	22	58.9 Å²	58.9	11%	0.108	29%	0.288	C	S	.	.	H	α-helix	trans	-75.5	-26	-177.7	-58.8	-55	-62.4	0	0	112.5	Y390 K392 E396 L397 V398 V403 K476	Y390-M394 HydrophobicContact CD1-CG 4.4Å; Y390-M394 HydrophobicContact CD2-CG 3.94Å; Y390-M394 HydrophobicContact CE1-CB 4.41Å; Y390-M394 HydrophobicContact CE1-CG 4.03Å; Y390-M394 HydrophobicContact CE2-CG 3.53Å; Y390-M394 HydrophobicContact CE2-SD 4.4Å; Y390-M394 HydrophobicContact CG-CG 4.34Å; Y390-M394 WeakPolarHBondContact O-CB 3.44Å; Y390-M394 WeakPolarHBondContact O-CG 3.5Å; Y390-M394 PolarHBondContact O-N 3.26Å; K392-M394 VanDerWaalsContact C-N 3.32Å; K392-M394 PolarHBondContact O-N 2.8Å; M394-E396 VanDerWaalsContact C-N 3.3Å; M394-L397 HydrophobicContact CE-CD2 4.05Å; M394-L397 PolarHBondContact O-N 3.07Å; M394-L397 HydrophobicContact SD-CD2 4.22Å; M394-V398 HydrophobicContact CE-CG1 4.44Å; M394-V398 HydrophobicContact CE-CG2 4.42Å; M394-V398 VanDerWaalsContact O-CG2 3.24Å; M394-V398 WeakPolarHBondContact O-CG2 3.44Å; M394-V398 PolarHBondContact O-N 3.33Å; M394-V403 VanDerWaalsContact C-CG2 3.43Å; M394-V403 HydrophobicContact CB-CG1 4.41Å; M394-V403 HydrophobicContact CB-CG2 3.58Å; M394-V403 WeakPolarHBondContact O-CG2 3.4Å; M394-K476 HydrophobicContact SD-CG 4.44Å
395	S	97.4	Very high	97.5	Very high	17 Å²	17	60.1 Å²	60.1	12%	0.119	29%	0.293	C	S	.	.	H	α-helix	trans	-70.2	-29.2	173.2	-71.7	0	0	0	0	112.5	Y391 K392 G399	Y391-S395 WeakPolarHBondContact CE2-OG 3.31Å; Y391-S395 WeakPolarHBondContact O-CB 3.31Å; Y391-S395 PolarHBondContact O-N 2.81Å; Y391-S395 PolarHBondContact O-OG 2.92Å; K392-S395 PolarHBondContact O-N 3.17Å; K392-S395 VanDerWaalsContact O-N 3.08Å; S395-G399 VanDerWaalsContact O-CA 3.26Å; S395-G399 WeakPolarHBondContact O-CA 3.48Å; S395-G399 PolarHBondContact O-N 3.23Å
396	E	97.9	Very high	97.5	Very high	141 Å²	141	58.9 Å²	58.9	66%	0.659	28%	0.283	S	S	*	.	H	α-helix	trans	-76.9	-34.8	173.3	-70.2	169.2	-168.6	0	0	111	K392 E393 M394	K392-E396 WeakPolarHBondContact CE-OE1 3.2Å; K392-E396 WeakPolarHBondContact CG-OE1 3.48Å; K392-E396 IonicContact NZ-OE1 3.99Å; K392-E396 PolarHBondContact O-N 3.32Å; E393-E396 PolarHBondContact O-N 2.89Å; M394-E396 VanDerWaalsContact C-N 3.3Å
397	L	96.8	Very high	97.5	Very high	131 Å²	131	58.9 Å²	58.9	69%	0.686	28%	0.283	S	S	*	.	H	α-helix	trans	-83.2	-46.7	-178.1	-174.9	63.2	0	0	0	115.2	E393 M394	E393-L397 PolarHBondContact O-N 2.73Å; M394-L397 HydrophobicContact CE-CD2 4.05Å; M394-L397 PolarHBondContact O-N 3.07Å; M394-L397 HydrophobicContact SD-CD2 4.22Å
398	V	96.4	Very high	97.5	Very high	65 Å²	65	58.9 Å²	58.9	39%	0.394	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	2.9	-174.6	-57	0	0	0	0	114.1	M394 E402 V403	M394-V398 HydrophobicContact CE-CG1 4.44Å; M394-V398 HydrophobicContact CE-CG2 4.42Å; M394-V398 VanDerWaalsContact O-CG2 3.24Å; M394-V398 WeakPolarHBondContact O-CG2 3.44Å; M394-V398 PolarHBondContact O-N 3.33Å; V398-E402 HydrophobicContact CB-CG 4.37Å; V398-E402 HydrophobicContact CG2-CB 4.15Å; V398-E402 HydrophobicContact CG2-CG 3.93Å; V398-V403 HydrophobicContact CG2-CG2 4.02Å
399	G	97.1	Very high	97.5	Very high	31 Å²	31	54.1 Å²	54.1	32%	0.32	26%	0.261	S	S	.	.			trans	83.1	144.8	-179.4	0	0	0	0	0	113.9	S395 E401 E402 V403	S395-G399 VanDerWaalsContact O-CA 3.26Å; S395-G399 WeakPolarHBondContact O-CA 3.48Å; S395-G399 PolarHBondContact O-N 3.23Å; G399-E401 VanDerWaalsContact C-N 3.3Å; G399-E401 PolarHBondContact O-N 2.88Å; G399-E402 PolarHBondContact O-N 2.84Å; G399-V403 PolarHBondContact O-N 2.93Å
400	R	95.7	Very high	97.6	Very high	172 Å²	172	50.7 Å²	50.7	65%	0.649	24%	0.244	S	C	*	.	H	α-helix	trans	-54.5	-40.5	-173.7	-66.5	175.6	-175.4	-177.9	2.5	113.8	E402 V403 L404	R400-E402 PolarHBondContact O-N 3.19Å; R400-V403 PolarHBondContact O-N 3.42Å; R400-L404 VanDerWaalsContact O-CG 3.27Å; R400-L404 WeakPolarHBondContact O-CG 3.23Å; R400-L404 PolarHBondContact O-N 3.22Å
401	E	95.5	Very high	97.5	Very high	119 Å²	119	50.6 Å²	50.6	56%	0.556	24%	0.244	S	C	*	.	H	α-helix	trans	-64.9	-38.4	-176.8	-77.2	-154.1	-142.7	0	0	113.4	K359 G399 L404 E405	K359-E401 WeakPolarHBondContact CE-OE2 3.34Å; K359-E401 IonicContact NZ-OE2 2.68Å; K359-E401 PolarHBondContact NZ-OE2 3.5Å; G399-E401 VanDerWaalsContact C-N 3.3Å; G399-E401 PolarHBondContact O-N 2.88Å; E401-L404 PolarHBondContact O-N 3.19Å; E401-E405 VanDerWaalsContact O-CB 3.32Å; E401-E405 WeakPolarHBondContact O-CB 3.34Å; E401-E405 PolarHBondContact O-N 3.25Å
402	E	96.4	Very high	97.5	Very high	61 Å²	61	52.4 Å²	52.4	29%	0.285	25%	0.25	S	C	.	.	H	α-helix	trans	-68.9	-39.9	176.9	174.3	54.6	-158.5	0	0	110.3	V398 G399 R400 L404 E405 K406 R409	V398-E402 HydrophobicContact CB-CG 4.37Å; V398-E402 HydrophobicContact CG2-CB 4.15Å; V398-E402 HydrophobicContact CG2-CG 3.93Å; G399-E402 PolarHBondContact O-N 2.84Å; R400-E402 PolarHBondContact O-N 3.19Å; E402-L404 PolarHBondContact O-N 3Å; E402-E405 CarbonylContact O-C 3.54Å; E402-E405 WeakPolarHBondContact O-CA 3.22Å; E402-E405 WeakPolarHBondContact O-CB 3.29Å; E402-E405 PolarHBondContact O-N 3.07Å; E402-E405 VanDerWaalsContact O-N 3.11Å; E402-K406 WeakPolarHBondContact O-CG 3.39Å; E402-K406 PolarHBondContact O-N 2.94Å; E402-K406 IonicContact OE1-NZ 2.97Å; E402-K406 PolarHBondContact OE1-NZ 2.9Å; E402-R409 IonicContact OE1-CZ 2.72Å; E402-R409 IonicContact OE1-NH1 3.33Å; E402-R409 PolarHBondContact OE1-NH1 2.77Å; E402-R409 IonicContact OE1-NH2 2.66Å; E402-R409 PolarHBondContact OE1-NH2 3.19Å; E402-R409 IonicContact OE2-CZ 3.37Å; E402-R409 IonicContact OE2-NH1 2.62Å; E402-R409 IonicContact OE2-NH2 2.74Å; E402-R409 PolarHBondContact OE2-NH2 3.13Å
403	V	97.8	Very high	97.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.3	-40.5	175.6	-170	0	0	0	0	112.3	Y390 Y391 M394 V398 G399 R400 E405 K406 F407	Y390-V403 HydrophobicContact CE1-CG1 4Å; Y391-V403 HydrophobicContact CD2-CB 4.28Å; Y391-V403 HydrophobicContact CD2-CG1 3.75Å; Y391-V403 HydrophobicContact CE2-CG1 4.45Å; M394-V403 VanDerWaalsContact C-CG2 3.43Å; M394-V403 HydrophobicContact CB-CG1 4.41Å; M394-V403 HydrophobicContact CB-CG2 3.58Å; M394-V403 WeakPolarHBondContact O-CG2 3.4Å; V398-V403 HydrophobicContact CG2-CG2 4.02Å; G399-V403 PolarHBondContact O-N 2.93Å; R400-V403 PolarHBondContact O-N 3.42Å; V403-E405 VanDerWaalsContact C-N 3.27Å; V403-E405 PolarHBondContact O-N 2.83Å; V403-K406 WeakPolarHBondContact O-CB 3.5Å; V403-K406 PolarHBondContact O-N 2.93Å; V403-F407 HydrophobicContact CG1-CE1 4.08Å; V403-F407 HydrophobicContact CG1-CE2 4.17Å; V403-F407 HydrophobicContact CG1-CZ 3.76Å; V403-F407 WeakPolarHBondContact O-CG 3.18Å; V403-F407 PolarHBondContact O-N 3.22Å
404	L	97.9	Very high	97.6	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.042	21%	0.212	C	C	.	.	H	α-helix	trans	-65.1	-34	173.9	-66.2	173.3	0	0	0	112	Y358 G362 Y391 R400 E401 E402 F407 A408	Y358-L404 HydrophobicContact CD2-CB 4.18Å; Y358-L404 WeakPolarHBondContact CD2-O 3.43Å; G362-L404 VanDerWaalsContact C-CD2 3.46Å; Y391-L404 HydrophobicContact CE2-CD2 4.06Å; Y391-L404 HydrophobicContact CE2-CG 4.36Å; R400-L404 VanDerWaalsContact O-CG 3.27Å; R400-L404 WeakPolarHBondContact O-CG 3.23Å; R400-L404 PolarHBondContact O-N 3.22Å; E401-L404 PolarHBondContact O-N 3.19Å; E402-L404 PolarHBondContact O-N 3Å; L404-F407 HydrophobicContact CD2-CD2 4.34Å; L404-F407 PolarHBondContact O-N 3.49Å; L404-A408 PolarHBondContact O-N 2.9Å
405	E	97.8	Very high	97.5	Very high	31 Å²	31	46.1 Å²	46.1	15%	0.145	22%	0.222	C	C	.	.	H	α-helix	trans	-67.4	-41.5	172.6	169.2	60.1	-154.9	0	0	111.8	Y358 E401 E402 V403 F407 A408 R409 R412	Y358-E405 PolarHBondContact OH-OE2 2.86Å; Y358-E405 VanDerWaalsContact OH-OE2 3.13Å; E401-E405 VanDerWaalsContact O-CB 3.32Å; E401-E405 WeakPolarHBondContact O-CB 3.34Å; E401-E405 PolarHBondContact O-N 3.25Å; E402-E405 CarbonylContact O-C 3.54Å; E402-E405 WeakPolarHBondContact O-CA 3.22Å; E402-E405 WeakPolarHBondContact O-CB 3.29Å; E402-E405 PolarHBondContact O-N 3.07Å; E402-E405 VanDerWaalsContact O-N 3.11Å; V403-E405 VanDerWaalsContact C-N 3.27Å; V403-E405 PolarHBondContact O-N 2.83Å; E405-F407 VanDerWaalsContact C-N 3.3Å; E405-F407 PolarHBondContact O-N 3.16Å; E405-A408 CarbonylContact O-C 3.54Å; E405-A408 WeakPolarHBondContact O-CA 3.22Å; E405-A408 WeakPolarHBondContact O-CB 3.47Å; E405-A408 PolarHBondContact O-N 2.84Å; E405-R409 VanDerWaalsContact CG-CZ 3.46Å; E405-R409 WeakPolarHBondContact O-CG 3.34Å; E405-R409 PolarHBondContact O-N 2.91Å; E405-R409 WeakPolarHBondContact OE1-CG 3.14Å; E405-R409 IonicContact OE1-CZ 2.68Å; E405-R409 IonicContact OE1-NE 2.86Å; E405-R409 PolarHBondContact OE1-NE 3.5Å; E405-R409 IonicContact OE1-NH2 3.84Å; E405-R412 VanDerWaalsContact CD-NH2 3.29Å; E405-R412 IonicContact OE1-CZ 2.74Å; E405-R412 IonicContact OE1-NH1 2.7Å; E405-R412 PolarHBondContact OE1-NH1 3.41Å; E405-R412 IonicContact OE1-NH2 3.83Å; E405-R412 PolarHBondContact OE1-NH2 3.01Å; E405-R412 IonicContact OE2-CZ 3.58Å; E405-R412 IonicContact OE2-NH1 3.23Å; E405-R412 IonicContact OE2-NH2 2.73Å; E405-R412 PolarHBondContact OE2-NH2 2.7Å
406	K	98	Very high	97.5	Very high	21 Å²	21	47.7 Å²	47.7	9%	0.091	23%	0.231	C	C	.	.	H	α-helix	trans	-54.7	-45.1	171.5	-59.2	-172.2	-170.2	-56.5	0	111.8	Y390 E402 V403 A408 R409 V410 F479 D483	Y390-K406 WeakPolarHBondContact OH-CD 3.13Å; E402-K406 WeakPolarHBondContact O-CG 3.39Å; E402-K406 PolarHBondContact O-N 2.94Å; E402-K406 IonicContact OE1-NZ 2.97Å; E402-K406 PolarHBondContact OE1-NZ 2.9Å; V403-K406 WeakPolarHBondContact O-CB 3.5Å; V403-K406 PolarHBondContact O-N 2.93Å; K406-A408 VanDerWaalsContact C-N 3.34Å; K406-A408 PolarHBondContact O-N 3.28Å; K406-R409 WeakPolarHBondContact O-CB 3.21Å; K406-R409 PolarHBondContact O-N 3.24Å; K406-V410 PolarHBondContact O-N 3.16Å; K406-F479 HydrophobicContact CB-CB 4.48Å; K406-F479 HydrophobicContact CB-CD1 4.32Å; K406-F479 HydrophobicContact CD-CB 4.26Å; K406-D483 WeakPolarHBondContact CD-OD2 3.1Å; K406-D483 WeakPolarHBondContact CG-OD1 3.36Å; K406-D483 IonicContact NZ-OD2 3.25Å; K406-D483 PolarHBondContact NZ-OD2 2.83Å
407	F	98.3	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-37.3	175.5	-59.7	-17	0	0	0	112.5	Y354 Y363 F366 L387 Y390 Y391 V403 L404 E405 V410 A411 F479	Y354-F407 VanDerWaalsContact OH-CB 3.23Å; Y354-F407 WeakPolarHBondContact OH-CB 3.42Å; Y363-F407 HydrophobicContact CD2-CE2 4.1Å; F366-F407 HydrophobicContact CB-CB 4.34Å; F366-F407 HydrophobicContact CB-CD2 3.89Å; F366-F407 HydrophobicContact CB-CG 4.38Å; F366-F407 HydrophobicContact CD1-CB 3.87Å; F366-F407 AromaticContact CD1-CD1 3.94Å; F366-F407 HydrophobicContact CD1-CD1 3.94Å; F366-F407 AromaticContact CD1-CD2 3.6Å; F366-F407 HydrophobicContact CD1-CD2 3.6Å; F366-F407 HydrophobicContact CD1-CE1 4.37Å; F366-F407 HydrophobicContact CD1-CE2 4.07Å; F366-F407 AromaticContact CD1-CG 3.53Å; F366-F407 HydrophobicContact CD1-CG 3.53Å; F366-F407 HydrophobicContact CD1-CZ 4.42Å; F366-F407 HydrophobicContact CD2-CB 3.87Å; F366-F407 HydrophobicContact CD2-CG 4.45Å; F366-F407 HydrophobicContact CE1-CB 4.08Å; F366-F407 AromaticContact CE1-CD1 3.84Å; F366-F407 HydrophobicContact CE1-CD1 3.84Å; F366-F407 HydrophobicContact CE1-CD2 4.34Å; F366-F407 HydrophobicContact CE1-CE1 4.35Å; F366-F407 AromaticContact CE1-CG 3.84Å; F366-F407 HydrophobicContact CE1-CG 3.84Å; F366-F407 HydrophobicContact CE2-CB 4.08Å; F366-F407 HydrophobicContact CG-CB 3.77Å; F366-F407 AromaticContact CG-CD2 3.87Å; F366-F407 HydrophobicContact CG-CD2 3.87Å; F366-F407 AromaticContact CG-CG 3.89Å; F366-F407 HydrophobicContact CG-CG 3.89Å; F366-F407 HydrophobicContact CZ-CB 4.19Å; F366-F407 HydrophobicContact CZ-CG 4.42Å; L387-F407 HydrophobicContact CD1-CE1 3.9Å; L387-F407 HydrophobicContact CD1-CZ 3.9Å; Y390-F407 HydrophobicContact CD1-CE1 4.06Å; Y390-F407 HydrophobicContact CD1-CZ 4.25Å; Y390-F407 AromaticContact CE1-CE1 3.9Å; Y390-F407 HydrophobicContact CE1-CE1 3.9Å; Y390-F407 HydrophobicContact CE1-CZ 4.39Å; Y391-F407 AromaticContact CD2-CE2 3.89Å; Y391-F407 HydrophobicContact CD2-CE2 3.89Å; Y391-F407 HydrophobicContact CD2-CZ 4.21Å; V403-F407 HydrophobicContact CG1-CE1 4.08Å; V403-F407 HydrophobicContact CG1-CE2 4.17Å; V403-F407 HydrophobicContact CG1-CZ 3.76Å; V403-F407 WeakPolarHBondContact O-CG 3.18Å; V403-F407 PolarHBondContact O-N 3.22Å; L404-F407 HydrophobicContact CD2-CD2 4.34Å; L404-F407 PolarHBondContact O-N 3.49Å; E405-F407 VanDerWaalsContact C-N 3.3Å; E405-F407 PolarHBondContact O-N 3.16Å; F407-V410 PolarHBondContact O-N 3.21Å; F407-A411 PolarHBondContact O-N 3.11Å; F407-F479 HydrophobicContact CD1-CD1 4.26Å; F407-F479 AromaticContact CD1-CE1 3.54Å; F407-F479 HydrophobicContact CD1-CE1 3.54Å; F407-F479 HydrophobicContact CD1-CE2 4.31Å; F407-F479 AromaticContact CD1-CZ 3.57Å; F407-F479 HydrophobicContact CD1-CZ 3.57Å; F407-F479 AromaticContact CE1-CE1 3.92Å; F407-F479 HydrophobicContact CE1-CE1 3.92Å; F407-F479 AromaticContact CE1-CE2 3.81Å; F407-F479 HydrophobicContact CE1-CE2 3.81Å; F407-F479 AromaticContact CE1-CZ 3.47Å; F407-F479 HydrophobicContact CE1-CZ 3.47Å; F407-F479 VanDerWaalsContact CE1-CZ 3.47Å
408	A	98.2	Very high	97.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69	-33.8	174.6	0	0	0	0	0	113.2	Y354 L355 Y358 L404 E405 K406 A411 R412	Y354-A408 HydrophobicContact CE1-CB 4.47Å; L355-A408 HydrophobicContact CD2-CB 4.13Å; Y358-A408 HydrophobicContact CD1-CB 4.12Å; Y358-A408 HydrophobicContact CD2-CB 3.64Å; Y358-A408 HydrophobicContact CE1-CB 4.09Å; Y358-A408 HydrophobicContact CE2-CB 3.6Å; Y358-A408 HydrophobicContact CG-CB 3.93Å; L404-A408 PolarHBondContact O-N 2.9Å; E405-A408 CarbonylContact O-C 3.54Å; E405-A408 WeakPolarHBondContact O-CA 3.22Å; E405-A408 WeakPolarHBondContact O-CB 3.47Å; E405-A408 PolarHBondContact O-N 2.84Å; K406-A408 VanDerWaalsContact C-N 3.34Å; K406-A408 PolarHBondContact O-N 3.28Å; A408-A411 PolarHBondContact O-N 3.3Å; A408-R412 WeakPolarHBondContact O-CG 3.48Å; A408-R412 PolarHBondContact O-N 3.39Å
409	R	98.5	Very high	97.1	Very high	11 Å²	11	39.3 Å²	39.3	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-44.9	172.5	-67.4	169.8	-170	152.1	3.5	111	E402 E405 K406 A411 R412 I413 D483	E402-R409 IonicContact OE1-CZ 2.72Å; E402-R409 IonicContact OE1-NH1 3.33Å; E402-R409 PolarHBondContact OE1-NH1 2.77Å; E402-R409 IonicContact OE1-NH2 2.66Å; E402-R409 PolarHBondContact OE1-NH2 3.19Å; E402-R409 IonicContact OE2-CZ 3.37Å; E402-R409 IonicContact OE2-NH1 2.62Å; E402-R409 IonicContact OE2-NH2 2.74Å; E402-R409 PolarHBondContact OE2-NH2 3.13Å; E405-R409 VanDerWaalsContact CG-CZ 3.46Å; E405-R409 WeakPolarHBondContact O-CG 3.34Å; E405-R409 PolarHBondContact O-N 2.91Å; E405-R409 WeakPolarHBondContact OE1-CG 3.14Å; E405-R409 IonicContact OE1-CZ 2.68Å; E405-R409 IonicContact OE1-NE 2.86Å; E405-R409 PolarHBondContact OE1-NE 3.5Å; E405-R409 IonicContact OE1-NH2 3.84Å; K406-R409 WeakPolarHBondContact O-CB 3.21Å; K406-R409 PolarHBondContact O-N 3.24Å; R409-A411 PolarHBondContact O-N 2.94Å; R409-R412 PolarHBondContact O-N 3.18Å; R409-I413 WeakPolarHBondContact O-CG1 3.38Å; R409-I413 PolarHBondContact O-N 2.86Å; R409-D483 WeakPolarHBondContact CD-OD1 3.21Å; R409-D483 IonicContact CZ-OD1 2.81Å; R409-D483 IonicContact NE-OD1 3.44Å; R409-D483 IonicContact NH1-OD1 2.97Å; R409-D483 PolarHBondContact NH1-OD1 2.91Å; R409-D483 IonicContact NH1-OD2 3.91Å
410	V	98.6	Very high	97	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.9	-47.1	173	-176.2	0	0	0	0	111.9	K406 F407 R412 I413 A414 A447 F450 F451 F479 F482	K406-V410 PolarHBondContact O-N 3.16Å; F407-V410 PolarHBondContact O-N 3.21Å; V410-R412 PolarHBondContact O-N 3.13Å; V410-I413 PolarHBondContact O-N 3.34Å; V410-A414 WeakPolarHBondContact O-CB 3.31Å; V410-A414 PolarHBondContact O-N 3.34Å; V410-A447 HydrophobicContact CG1-CB 4.33Å; V410-F450 HydrophobicContact CG1-CB 4.27Å; V410-F450 HydrophobicContact CG1-CD1 4.46Å; V410-F450 HydrophobicContact CG1-CD2 3.79Å; V410-F450 HydrophobicContact CG1-CE2 4.3Å; V410-F450 HydrophobicContact CG1-CG 3.92Å; V410-F451 HydrophobicContact CG1-CE2 4.26Å; V410-F479 HydrophobicContact CG2-CD1 3.83Å; V410-F479 HydrophobicContact CG2-CE1 3.69Å; V410-F482 HydrophobicContact CG2-CB 3.96Å; V410-F482 HydrophobicContact CG2-CD2 3.59Å; V410-F482 HydrophobicContact CG2-CE2 4.31Å; V410-F482 HydrophobicContact CG2-CG 3.79Å
411	A	98.1	Very high	97	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.9	-33.9	-179.9	0	0	0	0	0	113.2	L351 Y354 L355 L369 F407 A408 R409 K415	L351-A411 HydrophobicContact CD2-CB 4.09Å; Y354-A411 HydrophobicContact CD1-CB 3.74Å; Y354-A411 HydrophobicContact CE1-CB 3.74Å; L355-A411 HydrophobicContact CD2-CB 3.87Å; L355-A411 HydrophobicContact CG-CB 4.26Å; L369-A411 HydrophobicContact CD2-CB 4.22Å; F407-A411 PolarHBondContact O-N 3.11Å; A408-A411 PolarHBondContact O-N 3.3Å; R409-A411 PolarHBondContact O-N 2.94Å; A411-K415 PolarHBondContact O-N 2.86Å; A411-K415 VanDerWaalsContact O-N 3.14Å
412	R	97.9	Very high	96.8	Very high	77 Å²	77	28.9 Å²	28.9	29%	0.291	14%	0.142	S	C	.	.	H	α-helix	trans	-67.3	-50	172.4	-69.9	172.6	-144.5	138.3	4.9	111.9	L355 E405 A408 R409 V410 A414 K415 T416	L355-R412 HydrophobicContact CD1-CG 4.08Å; L355-R412 HydrophobicContact CD2-CG 3.78Å; E405-R412 VanDerWaalsContact CD-NH2 3.29Å; E405-R412 IonicContact OE1-CZ 2.74Å; E405-R412 IonicContact OE1-NH1 2.7Å; E405-R412 PolarHBondContact OE1-NH1 3.41Å; E405-R412 IonicContact OE1-NH2 3.83Å; E405-R412 PolarHBondContact OE1-NH2 3.01Å; E405-R412 IonicContact OE2-CZ 3.58Å; E405-R412 IonicContact OE2-NH1 3.23Å; E405-R412 IonicContact OE2-NH2 2.73Å; E405-R412 PolarHBondContact OE2-NH2 2.7Å; A408-R412 WeakPolarHBondContact O-CG 3.48Å; A408-R412 PolarHBondContact O-N 3.39Å; R409-R412 PolarHBondContact O-N 3.18Å; V410-R412 PolarHBondContact O-N 3.13Å; R412-A414 VanDerWaalsContact C-N 3.3Å; R412-A414 PolarHBondContact O-N 2.89Å; R412-K415 WeakPolarHBondContact O-CA 3.46Å; R412-K415 WeakPolarHBondContact O-CB 3.3Å; R412-K415 PolarHBondContact O-N 3.41Å; R412-T416 PolarHBondContact O-N 2.82Å
413	I	98.6	Very high	96.4	Very high	14 Å²	14	31.5 Å²	31.5	7%	0.072	15%	0.154	C	C	.	.	H	α-helix	trans	-64.2	-37.3	-179	-67.4	170.6	0	0	0	110.6	R409 V410 K415 T416 A443 A447 F482 M485	R409-I413 WeakPolarHBondContact O-CG1 3.38Å; R409-I413 PolarHBondContact O-N 2.86Å; V410-I413 PolarHBondContact O-N 3.34Å; I413-K415 VanDerWaalsContact C-N 3.32Å; I413-K415 PolarHBondContact O-N 3.33Å; I413-T416 PolarHBondContact O-OG1 3.28Å; I413-A443 VanDerWaalsContact CG2-C 3.45Å; I413-A443 HydrophobicContact CG2-CB 3.78Å; I413-A443 VanDerWaalsContact CG2-O 3.32Å; I413-A443 WeakPolarHBondContact CG2-O 3.34Å; I413-A447 HydrophobicContact CB-CB 4.13Å; I413-A447 HydrophobicContact CG2-CB 3.73Å; I413-F482 HydrophobicContact CD1-CB 4.18Å; I413-F482 HydrophobicContact CD1-CD1 3.84Å; I413-F482 HydrophobicContact CD1-CG 4.5Å; I413-F482 WeakPolarHBondContact CD1-O 3.39Å; I413-F482 HydrophobicContact CG2-CD1 4.26Å; I413-F482 HydrophobicContact CG2-CE1 4.37Å; I413-M485 HydrophobicContact CD1-CB 3.89Å
414	A	98.1	Very high	96.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-40	170.6	0	0	0	0	0	111.7	V410 R412 T416 A417 A447 R448 F451	V410-A414 WeakPolarHBondContact O-CB 3.31Å; V410-A414 PolarHBondContact O-N 3.34Å; R412-A414 VanDerWaalsContact C-N 3.3Å; R412-A414 PolarHBondContact O-N 2.89Å; A414-T416 PolarHBondContact O-N 3.07Å; A414-A417 WeakPolarHBondContact O-CB 3.4Å; A414-A417 PolarHBondContact O-N 2.94Å; A414-A447 HydrophobicContact CB-CB 3.87Å; A414-R448 HydrophobicContact CB-CG 4.48Å; A414-R448 PolarHBondContact O-NE 3.2Å; A414-R448 PolarHBondContact O-NH2 2.89Å; A414-F451 HydrophobicContact CB-CD2 3.73Å; A414-F451 HydrophobicContact CB-CE2 3.54Å
415	K	96.3	Very high	95.9	Very high	70 Å²	70	32.9 Å²	32.9	30%	0.304	16%	0.159	S	C	.	.	H	α-helix	trans	-61	-43.3	-179	-174.1	179.1	171.1	178.7	0	112.4	D352 A411 R412 I413 A417 E418	D352-K415 WeakPolarHBondContact OD1-CE 3.44Å; D352-K415 IonicContact OD1-NZ 3.82Å; D352-K415 PolarHBondContact OD1-NZ 3.46Å; D352-K415 IonicContact OD2-NZ 3Å; A411-K415 PolarHBondContact O-N 2.86Å; A411-K415 VanDerWaalsContact O-N 3.14Å; R412-K415 WeakPolarHBondContact O-CA 3.46Å; R412-K415 WeakPolarHBondContact O-CB 3.3Å; R412-K415 PolarHBondContact O-N 3.41Å; I413-K415 VanDerWaalsContact C-N 3.32Å; I413-K415 PolarHBondContact O-N 3.33Å; K415-A417 PolarHBondContact O-N 3.11Å; K415-E418 PolarHBondContact O-N 3.3Å
416	T	96.9	Very high	95.8	Very high	50 Å²	50	31.7 Å²	31.7	31%	0.307	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.2	-178	65.2	0	0	0	0	114.4	R412 I413 A414 E418 D419 I420	R412-T416 PolarHBondContact O-N 2.82Å; I413-T416 PolarHBondContact O-OG1 3.28Å; A414-T416 PolarHBondContact O-N 3.07Å; T416-E418 PolarHBondContact O-N 3.34Å; T416-E418 VanDerWaalsContact O-N 3.07Å; T416-D419 WeakPolarHBondContact CA-OD2 3.43Å; T416-D419 PolarHBondContact O-N 2.84Å; T416-I420 WeakPolarHBondContact O-CG1 3.28Å; T416-I420 PolarHBondContact O-N 3.32Å
417	A	96.2	Very high	95.7	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-51.3	-28	173.5	0	0	0	0	0	114.1	W331 A414 K415 L421 A444 R448	W331-A417 HydrophobicContact CB-CB 4.29Å; W331-A417 VanDerWaalsContact CD1-C 3.48Å; W331-A417 HydrophobicContact CD2-CB 4.29Å; W331-A417 HydrophobicContact CG-CB 3.88Å; W331-A417 PolarHBondContact NE1-O 3.02Å; W331-A417 VanDerWaalsContact NE1-O 3.17Å; A414-A417 WeakPolarHBondContact O-CB 3.4Å; A414-A417 PolarHBondContact O-N 2.94Å; K415-A417 PolarHBondContact O-N 3.11Å; A417-L421 HydrophobicContact CB-CD1 3.78Å; A417-L421 WeakPolarHBondContact O-CB 3.26Å; A417-A444 HydrophobicContact CB-CB 4.14Å; A417-R448 HydrophobicContact CB-CG 4.21Å
418	E	92.2	Very high	95.6	Very high	45 Å²	45	32.1 Å²	32.1	21%	0.21	15%	0.154	C	C	.	.	H	α-helix	trans	-68.1	-43	173.7	-171.1	178.7	148.9	0	0	111.8	R332 Y344 K348 K415 T416	R332-E418 PolarHBondContact NH1-O 3.27Å; Y344-E418 PolarHBondContact OH-OE1 2.98Å; Y344-E418 PolarHBondContact OH-OE2 3.35Å; Y344-E418 VanDerWaalsContact OH-OE2 3.07Å; K348-E418 WeakPolarHBondContact CE-OE2 3.23Å; K348-E418 IonicContact NZ-OE1 3.84Å; K348-E418 PolarHBondContact NZ-OE1 2.68Å; K348-E418 IonicContact NZ-OE2 2.9Å; K348-E418 PolarHBondContact NZ-OE2 3.38Å; K415-E418 PolarHBondContact O-N 3.3Å; T416-E418 PolarHBondContact O-N 3.34Å; T416-E418 VanDerWaalsContact O-N 3.07Å
419	D	93.9	Very high	95.2	Very high	116 Å²	116	32.5 Å²	32.5	62%	0.62	16%	0.156	S	C	*	.	H	α-helix	trans	-86.7	-39	-170	-42.6	-67.9	0	0	0	113	T416	T416-D419 WeakPolarHBondContact CA-OD2 3.43Å; T416-D419 PolarHBondContact O-N 2.84Å
420	I	95.8	Very high	94.7	Very high	61 Å²	61	34.9 Å²	34.9	31%	0.313	18%	0.184	S	C	.	.	H	α-helix	trans	-104.7	-16.6	-168.4	76.8	175.1	0	0	0	115.2	T416 K440 Q441 A444	T416-I420 WeakPolarHBondContact O-CG1 3.28Å; T416-I420 PolarHBondContact O-N 3.32Å; I420-K440 HydrophobicContact CD1-CB 4.24Å; I420-K440 WeakPolarHBondContact CD1-O 3.39Å; I420-Q441 HydrophobicContact CD1-CG 4.38Å; I420-Q441 HydrophobicContact CG1-CG 4.25Å; I420-Q441 WeakPolarHBondContact O-CG 3.31Å; I420-Q441 PolarHBondContact O-NE2 2.96Å; I420-A444 HydrophobicContact CD1-CB 4.03Å; I420-A444 HydrophobicContact CG1-CB 4.3Å
421	L	95.9	Very high	94.3	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.052	20%	0.201	C	C	.	.	S	Bend	trans	-88.5	157.6	174.8	-62.5	174.9	0	0	0	110.2	W331 R332 A417 I425 Q441 A444 L445	W331-L421 HydrophobicContact CH2-CD1 4.49Å; W331-L421 HydrophobicContact CZ2-CD1 3.56Å; R332-L421 VanDerWaalsContact NH2-C 3.27Å; R332-L421 PolarHBondContact NH2-O 3.39Å; A417-L421 HydrophobicContact CB-CD1 3.78Å; A417-L421 WeakPolarHBondContact O-CB 3.26Å; L421-I425 HydrophobicContact CD2-CD1 4.22Å; L421-Q441 HydrophobicContact CD2-CB 3.7Å; L421-Q441 HydrophobicContact CD2-CG 3.91Å; L421-A444 HydrophobicContact CD1-CB 4.34Å; L421-A444 HydrophobicContact CG-CB 4.45Å; L421-L445 HydrophobicContact CD1-CD2 3.69Å; L421-L445 HydrophobicContact CD1-CG 4Å; L421-L445 HydrophobicContact CD2-CD1 4.41Å; L421-L445 HydrophobicContact CD2-CD2 4.49Å; L421-L445 HydrophobicContact CD2-CG 4.1Å
422	P	91.9	Very high	94.1	Very high	31 Å²	31	38.1 Å²	38.1	20%	0.201	20%	0.201	C	C	.	.			trans	-73.7	167.8	175.1	34.1	-41	0	0	0	112.5	Y302 Q329 R332 R424 I425	Y302-P422 HydrophobicContact CD1-CB 4.07Å; Y302-P422 HydrophobicContact CD1-CG 3.55Å; Y302-P422 HydrophobicContact CE1-CG 4.18Å; Y302-P422 HydrophobicContact CG-CG 3.95Å; Q329-P422 PolarHBondContact NE2-O 2.9Å; R332-P422 PolarHBondContact NE-O 3.46Å; R332-P422 PolarHBondContact NH2-O 2.99Å; P422-R424 VanDerWaalsContact CG-O 3.28Å; P422-R424 WeakPolarHBondContact CG-O 3.39Å; P422-R424 PolarHBondContact O-N 3.41Å; P422-I425 HydrophobicContact CG-CD1 4.34Å; P422-I425 HydrophobicContact CG-CG1 3.49Å; P422-I425 VanDerWaalsContact CG-CG1 3.49Å
423	E	88.1	Confident	94	Very high	116 Å²	116	37.2 Å²	37.2	54%	0.542	20%	0.201	S	C	.	.	S	Bend	trans	-59.6	-34.5	173.8	-169.1	-148.5	111.7	0	0	112.2	Q329	Q329-E423 PolarHBondContact NE2-O 3.48Å
424	R	90.9	Very high	93.9	Very high	37 Å²	37	36.6 Å²	36.6	14%	0.14	20%	0.197	C	C	.	.			trans	-135.5	131.8	178.4	-57	-179.9	-168.4	-155	-1.4	109.5	R316 V326 S336 P422 Y426	R316-R424 PolarHBondContact O-NH1 3.2Å; V326-R424 HydrophobicContact CG1-CB 4.17Å; V326-R424 HydrophobicContact CG1-CG 4.34Å; S336-R424 PolarHBondContact O-NH2 2.94Å; P422-R424 VanDerWaalsContact CG-O 3.28Å; P422-R424 WeakPolarHBondContact CG-O 3.39Å; P422-R424 PolarHBondContact O-N 3.41Å; R424-Y426 HydrophobicContact CB-CE1 3.99Å; R424-Y426 WeakPolarHBondContact CD-OH 3.49Å
425	I	94.5	Very high	93.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.197	C	C	.	.			trans	-110.4	126.8	164.9	-63.5	172.8	0	0	0	106.1	Y302 L327 Q329 L421 P422 L445 L573	Y302-I425 HydrophobicContact CE2-CG2 4.17Å; L327-I425 HydrophobicContact CB-CB 4.08Å; L327-I425 HydrophobicContact CB-CG2 4.32Å; L327-I425 WeakPolarHBondContact CB-O 3.44Å; L327-I425 HydrophobicContact CD2-CB 4.18Å; L327-I425 HydrophobicContact CD2-CD1 4.25Å; L327-I425 HydrophobicContact CD2-CG2 4.07Å; L327-I425 PolarHBondContact N-O 3.1Å; Q329-I425 VanDerWaalsContact OE1-CD1 3.32Å; Q329-I425 VanDerWaalsContact OE1-CG1 3.3Å; L421-I425 HydrophobicContact CD2-CD1 4.22Å; P422-I425 HydrophobicContact CG-CD1 4.34Å; P422-I425 HydrophobicContact CG-CG1 3.49Å; P422-I425 VanDerWaalsContact CG-CG1 3.49Å; I425-L445 HydrophobicContact CD1-CD1 4.12Å; I425-L445 HydrophobicContact CD1-CD2 3.99Å; I425-L573 HydrophobicContact CG2-CD2 3.51Å
426	Y	95.1	Very high	94	Very high	6 Å²	6	33.2 Å²	33.2	2%	0.024	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-91.1	136.2	176.8	-52.6	-66.4	0	0	0	111.3	Y300 Y302 L315 R316 I325 V326 R424	Y300-Y426 AromaticContact CD1-CD2 3.72Å; Y300-Y426 HydrophobicContact CD1-CD2 3.72Å; Y300-Y426 AromaticContact CD1-CE2 3.89Å; Y300-Y426 HydrophobicContact CD1-CE2 3.89Å; Y300-Y426 AromaticContact CD2-CD2 3.75Å; Y300-Y426 HydrophobicContact CD2-CD2 3.75Å; Y300-Y426 HydrophobicContact CD2-CG 4.43Å; Y300-Y426 AromaticContact CE1-CD2 3.54Å; Y300-Y426 HydrophobicContact CE1-CD2 3.54Å; Y300-Y426 AromaticContact CE1-CE2 3.44Å; Y300-Y426 HydrophobicContact CE1-CE2 3.44Å; Y300-Y426 VanDerWaalsContact CE1-CE2 3.44Å; Y300-Y426 AromaticContact CE2-CD2 3.56Å; Y300-Y426 HydrophobicContact CE2-CD2 3.56Å; Y300-Y426 HydrophobicContact CE2-CE2 4.24Å; Y300-Y426 HydrophobicContact CE2-CG 4.15Å; Y300-Y426 AromaticContact CG-CD2 3.82Å; Y300-Y426 HydrophobicContact CG-CD2 3.82Å; Y300-Y426 HydrophobicContact CG-CE2 4.45Å; Y300-Y426 AromaticContact CZ-CD2 3.45Å; Y300-Y426 VanDerWaalsContact CZ-CD2 3.45Å; Y300-Y426 AromaticContact CZ-CE2 3.64Å; Y302-Y426 HydrophobicContact CE1-CD2 4.42Å; Y302-Y426 WeakPolarHBondContact OH-CD2 3.27Å; Y302-Y426 PolarHBondContact OH-N 2.76Å; L315-Y426 WeakPolarHBondContact CA-OH 3.41Å; R316-Y426 HydrophobicContact CB-CD1 4.05Å; R316-Y426 HydrophobicContact CB-CE1 3.62Å; R316-Y426 HydrophobicContact CG-CE1 4.46Å; R316-Y426 PolarHBondContact N-OH 2.84Å; R316-Y426 VanDerWaalsContact N-OH 3.08Å; I325-Y426 CarbonylContact O-C 3.52Å; I325-Y426 VanDerWaalsContact O-CA 3.23Å; I325-Y426 WeakPolarHBondContact O-CA 3.24Å; V326-Y426 HydrophobicContact CG2-CD1 4.16Å; V326-Y426 HydrophobicContact CG2-CE1 4.03Å; R424-Y426 HydrophobicContact CB-CE1 3.99Å; R424-Y426 WeakPolarHBondContact CD-OH 3.49Å
427	R	95.8	Very high	94.1	Very high	29 Å²	29	30.9 Å²	30.9	11%	0.109	17%	0.168	C	C	.	.			trans	-78.1	150.4	172.3	-66.9	-179.2	67.4	-121.6	4.2	109.5	K324 I325 L327 V429 L572 L573 C574 E575	K324-R427 PolarHBondContact O-NH1 2.68Å; I325-R427 PolarHBondContact O-N 3.17Å; L327-R427 HydrophobicContact CB-CG 4.33Å; L327-R427 HydrophobicContact CD1-CG 4.33Å; R427-V429 HydrophobicContact CB-CG1 4.28Å; R427-V429 HydrophobicContact CB-CG2 4.32Å; R427-V429 PolarHBondContact O-N 3.35Å; R427-L572 PolarHBondContact NE-O 2.87Å; R427-L573 CarbonylContact C-O 3.59Å; R427-L573 VanDerWaalsContact CA-O 3.22Å; R427-L573 WeakPolarHBondContact CA-O 3.45Å; R427-L573 WeakPolarHBondContact CB-O 3.37Å; R427-C574 PolarHBondContact NH2-O 3.18Å; R427-E575 IonicContact CZ-OE1 3.17Å; R427-E575 IonicContact NH1-OE1 3.2Å; R427-E575 PolarHBondContact NH1-OE1 3.48Å; R427-E575 IonicContact NH2-OE1 2.81Å; R427-E575 PolarHBondContact NH2-OE1 3.43Å
428	L	95.7	Very high	94.2	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	18%	0.177	C	C	.	.	S	Bend	trans	-79.4	67.8	-179.9	-72.3	81.8	0	0	0	109.8	E433 A435 L498 L573	L428-E433 WeakPolarHBondContact CD2-O 3.4Å; L428-A435 HydrophobicContact CD1-CB 3.97Å; L428-L498 HydrophobicContact CB-CB 3.95Å; L428-L498 HydrophobicContact CB-CD2 4.24Å; L428-L498 HydrophobicContact CD2-CB 3.65Å; L428-L498 HydrophobicContact CG-CB 4.43Å; L428-L498 WeakPolarHBondContact O-CD2 3.13Å; L428-L573 HydrophobicContact CD1-CB 3.66Å; L428-L573 HydrophobicContact CD1-CD1 4.18Å; L428-L573 HydrophobicContact CD1-CG 4.38Å; L428-L573 PolarHBondContact N-O 2.97Å
429	V	90.9	Very high	94.5	Very high	8 Å²	8	30 Å²	30	5%	0.048	17%	0.167	C	C	.	.			trans	-125	153	-179.4	-62	0	0	0	0	110.4	I325 R427 D431 V432 E575	I325-V429 HydrophobicContact CB-CG2 3.91Å; I325-V429 HydrophobicContact CD1-CG2 4.48Å; I325-V429 HydrophobicContact CG1-CG2 3.85Å; R427-V429 HydrophobicContact CB-CG1 4.28Å; R427-V429 HydrophobicContact CB-CG2 4.32Å; R427-V429 PolarHBondContact O-N 3.35Å; V429-D431 PolarHBondContact O-N 2.72Å; V429-V432 PolarHBondContact O-N 2.88Å; V429-E575 VanDerWaalsContact CG1-CD 3.46Å; V429-E575 HydrophobicContact CG1-CG 3.8Å
430	G	87.6	Confident	94.7	Very high	60 Å²	60	28.3 Å²	28.3	62%	0.619	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	-119.6	-173.3	0	0	0	0	0	111.4	K500	G430-K500 PolarHBondContact O-NZ 2.78Å
431	D	89.7	Confident	94.8	Very high	68 Å²	68	26 Å²	26	36%	0.364	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-3.6	-177	67.8	-53.7	0	0	0	114.6	R298 R316 V429 E433	R298-D431 PolarHBondContact NE-O 2.94Å; R298-D431 PolarHBondContact NH2-O 2.8Å; R316-D431 IonicContact CZ-OD1 2.67Å; R316-D431 IonicContact CZ-OD2 3.33Å; R316-D431 VanDerWaalsContact CZ-OD2 3.31Å; R316-D431 VanDerWaalsContact NH1-CG 3.26Å; R316-D431 IonicContact NH1-OD1 3.76Å; R316-D431 PolarHBondContact NH1-OD1 2.99Å; R316-D431 IonicContact NH1-OD2 2.66Å; R316-D431 PolarHBondContact NH1-OD2 2.79Å; R316-D431 IonicContact NH2-OD1 3.83Å; R316-D431 IonicContact NH2-OD2 3.6Å; R316-D431 PolarHBondContact NH2-OD2 2.84Å; V429-D431 PolarHBondContact O-N 2.72Å; D431-E433 PolarHBondContact O-N 3.28Å
432	V	94.1	Very high	95	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.			trans	-72.6	119.5	174.5	-179.2	0	0	0	0	109.7	Y300 I325 V429	Y300-V432 HydrophobicContact CD2-CG1 4.15Å; Y300-V432 HydrophobicContact CE2-CG1 4.34Å; Y300-V432 HydrophobicContact CE2-CG2 4.37Å; I325-V432 HydrophobicContact CD1-CG2 3.85Å; I325-V432 HydrophobicContact CG1-CG2 4.25Å; V429-V432 PolarHBondContact O-N 2.88Å
433	E	95.3	Very high	95.3	Very high	59 Å²	59	24.1 Å²	24.1	28%	0.276	13%	0.13	S	C	.	.			trans	-98.6	-36.9	-171.3	-68.5	178.1	152	0	0	113.3	R298 N299 L428 D431 R497 L498	R298-E433 HydrophobicContact CB-CG 4.49Å; R298-E433 IonicContact CZ-OE1 3.5Å; R298-E433 IonicContact CZ-OE2 3.73Å; R298-E433 IonicContact NH1-OE1 3.85Å; R298-E433 PolarHBondContact NH1-OE1 2.83Å; R298-E433 IonicContact NH1-OE2 3.02Å; R298-E433 PolarHBondContact NH1-OE2 2.7Å; R298-E433 IonicContact NH2-OE1 2.7Å; R298-E433 PolarHBondContact NH2-OE1 3.02Å; R298-E433 IonicContact NH2-OE2 3.31Å; R298-E433 PolarHBondContact O-N 2.84Å; N299-E433 PolarHBondContact ND2-OE2 2.75Å; N299-E433 WeakPolarHBondContact OD1-CB 3.46Å; L428-E433 WeakPolarHBondContact CD2-O 3.4Å; D431-E433 PolarHBondContact O-N 3.28Å; E433-R497 CarbonylContact O-C 3.58Å; E433-R497 VanDerWaalsContact O-CA 3.29Å; E433-R497 WeakPolarHBondContact O-CA 3.31Å; E433-L498 PolarHBondContact O-N 2.89Å
434	S	97.6	Very high	95.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	159.7	-178.6	72.1	0	0	0	0	115.6	R298 N299 Y300 F496	R298-S434 PolarHBondContact O-N 2.72Å; N299-S434 WeakPolarHBondContact CA-OG 3.29Å; N299-S434 VanDerWaalsContact CB-OG 3.27Å; N299-S434 WeakPolarHBondContact CB-OG 3.45Å; N299-S434 VanDerWaalsContact CG-OG 3.32Å; N299-S434 WeakPolarHBondContact OD1-CB 3.5Å; N299-S434 PolarHBondContact OD1-OG 2.96Å; Y300-S434 PolarHBondContact N-O 3.18Å; S434-F496 CarbonylContact C-O 3.59Å; S434-F496 WeakPolarHBondContact CA-O 3.35Å; S434-F496 WeakPolarHBondContact CB-O 3.46Å
435	A	97.9	Very high	96.2	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	128.8	175.2	0	0	0	0	0	109.3	Y300 Y302 L428 L437 S495 F496 L573	Y300-A435 CarbonylContact O-C 3.57Å; Y300-A435 VanDerWaalsContact O-CA 3.3Å; Y300-A435 WeakPolarHBondContact O-CA 3.27Å; Y302-A435 HydrophobicContact CE2-CB 3.91Å; L428-A435 HydrophobicContact CD1-CB 3.97Å; A435-L437 HydrophobicContact CB-CD1 4.21Å; A435-S495 WeakPolarHBondContact O-CA 3.28Å; A435-F496 PolarHBondContact N-O 2.88Å; A435-F496 PolarHBondContact O-N 3.33Å; A435-L573 HydrophobicContact CB-CD1 3.87Å
436	T	98.3	Very high	96.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.9	177.9	-56.9	0	0	0	0	110.6	Y300 R301 Y302 A493 V494 S495	Y300-T436 PolarHBondContact O-N 2.91Å; R301-T436 HydrophobicContact CG-CG2 4.04Å; Y302-T436 PolarHBondContact N-O 2.74Å; T436-A493 HydrophobicContact CG2-CB 4.08Å; T436-V494 WeakPolarHBondContact CA-O 3.39Å; T436-S495 WeakPolarHBondContact CG2-OG 3.28Å; T436-S495 PolarHBondContact OG1-OG 2.7Å
437	L	98.3	Very high	96.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	157.2	-173.9	-63.4	94.4	0	0	0	110.1	Y302 A435 Q441 L445 A493 V494 F496 V569 L573	Y302-L437 HydrophobicContact CD2-CD1 4.23Å; Y302-L437 HydrophobicContact CD2-CG 4.02Å; A435-L437 HydrophobicContact CB-CD1 4.21Å; L437-Q441 HydrophobicContact CB-CB 4.09Å; L437-Q441 HydrophobicContact CD2-CB 4.19Å; L437-L445 HydrophobicContact CD2-CD1 3.62Å; L437-A493 CarbonylContact O-C 3.52Å; L437-A493 WeakPolarHBondContact O-CA 3.24Å; L437-A493 VanDerWaalsContact O-CB 3.3Å; L437-A493 WeakPolarHBondContact O-CB 3.21Å; L437-V494 PolarHBondContact N-O 3.04Å; L437-V494 PolarHBondContact O-N 3.35Å; L437-F496 HydrophobicContact CD1-CD2 4Å; L437-F496 HydrophobicContact CD1-CE2 4.04Å; L437-V569 HydrophobicContact CD1-CG1 4.47Å; L437-L573 HydrophobicContact CD1-CD1 4.32Å
438	S	98.2	Very high	96.6	Very high	26 Å²	26	16.9 Å²	16.9	18%	0.182	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	156.2	169.4	68.2	0	0	0	0	111.1	K440 Q441 C442 G492	S438-K440 PolarHBondContact O-N 2.76Å; S438-K440 VanDerWaalsContact O-N 3.14Å; S438-Q441 WeakPolarHBondContact O-CA 3.41Å; S438-Q441 WeakPolarHBondContact O-CB 3.3Å; S438-Q441 PolarHBondContact O-N 2.53Å; S438-Q441 WeakPolarHBondContact OG-CG 3.34Å; S438-Q441 PolarHBondContact OG-N 3.13Å; S438-C442 PolarHBondContact O-N 3.42Å; S438-C442 PolarHBondContact O-SG 3.14Å; S438-G492 WeakPolarHBondContact CA-O 3.49Å
439	H	98.4	Very high	96.7	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-49.7	-41.3	173.9	-62.3	-70.4	0	0	0	112	Q441 C442 A443 M485 P490 D491 G492 E566 G587 R619	H439-Q441 PolarHBondContact O-N 3.42Å; H439-C442 WeakPolarHBondContact O-CB 3.26Å; H439-C442 PolarHBondContact O-N 2.86Å; H439-A443 PolarHBondContact O-N 2.79Å; H439-M485 HydrophobicContact CB-CE 4.05Å; H439-M485 WeakPolarHBondContact O-CE 3.48Å; H439-P490 HydrophobicContact CB-CG 4.08Å; H439-P490 WeakPolarHBondContact CB-O 3.26Å; H439-P490 PolarHBondContact CD2-O 3.08Å; H439-D491 PolarHBondContact CD2-O 2.95Å; H439-D491 VanDerWaalsContact CD2-O 3.28Å; H439-D491 PolarHBondContact NE2-O 2.84Å; H439-G492 VanDerWaalsContact CD2-C 3.44Å; H439-E566 WeakPolarHBondContact CA-OE1 3.47Å; H439-E566 WeakPolarHBondContact CB-OE1 3.4Å; H439-E566 IonicContact CE1-OE2 2.62Å; H439-E566 IonicContact CG-OE1 3.82Å; H439-E566 VanDerWaalsContact ND1-CD 3.26Å; H439-E566 IonicContact ND1-OE1 3.41Å; H439-E566 PolarHBondContact ND1-OE1 3.05Å; H439-E566 IonicContact ND1-OE2 2.7Å; H439-E566 PolarHBondContact ND1-OE2 2.63Å; H439-G587 PolarHBondContact CE1-O 3.24Å; H439-R619 PolarHBondContact NE2-NH1 3.1Å
440	K	98.5	Very high	97.1	Very high	81 Å²	81	16.6 Å²	16.6	35%	0.352	10%	0.097	S	C	.	.	H	α-helix	trans	-62.8	-40.3	176.3	-67.9	157.2	-177.2	164	0	112.5	I420 S438 A443 A444 M485 P489 D491	I420-K440 HydrophobicContact CD1-CB 4.24Å; I420-K440 WeakPolarHBondContact CD1-O 3.39Å; S438-K440 PolarHBondContact O-N 2.76Å; S438-K440 VanDerWaalsContact O-N 3.14Å; K440-A443 PolarHBondContact O-N 2.9Å; K440-A444 PolarHBondContact O-N 3.29Å; K440-A444 VanDerWaalsContact O-N 3.16Å; K440-M485 HydrophobicContact CG-CE 4.14Å; K440-P489 HydrophobicContact CD-CG 4.49Å; K440-P489 HydrophobicContact CG-CB 4.04Å; K440-P489 HydrophobicContact CG-CG 4.43Å; K440-D491 IonicContact NZ-OD1 2.69Å; K440-D491 PolarHBondContact NZ-OD1 2.83Å
441	Q	98.6	Very high	97.4	Very high	12 Å²	12	13.9 Å²	13.9	6%	0.056	7%	0.068	C	C	.	.	H	α-helix	trans	-68.4	-39.8	173.4	-73.6	174.9	-30.3	0	0	112.1	Y302 I420 L421 L437 S438 H439 A443 A444 L445	Y302-Q441 PolarHBondContact O-NE2 2.98Å; I420-Q441 HydrophobicContact CD1-CG 4.38Å; I420-Q441 HydrophobicContact CG1-CG 4.25Å; I420-Q441 WeakPolarHBondContact O-CG 3.31Å; I420-Q441 PolarHBondContact O-NE2 2.96Å; L421-Q441 HydrophobicContact CD2-CB 3.7Å; L421-Q441 HydrophobicContact CD2-CG 3.91Å; L437-Q441 HydrophobicContact CB-CB 4.09Å; L437-Q441 HydrophobicContact CD2-CB 4.19Å; S438-Q441 WeakPolarHBondContact O-CA 3.41Å; S438-Q441 WeakPolarHBondContact O-CB 3.3Å; S438-Q441 PolarHBondContact O-N 2.53Å; S438-Q441 WeakPolarHBondContact OG-CG 3.34Å; S438-Q441 PolarHBondContact OG-N 3.13Å; H439-Q441 PolarHBondContact O-N 3.42Å; Q441-A443 PolarHBondContact O-N 2.85Å; Q441-A444 PolarHBondContact O-N 2.98Å; Q441-L445 PolarHBondContact O-N 3.2Å
442	C	98.9	Very high	97.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58.4	-47.8	173.1	-65.2	0	0	0	0	110.9	S438 H439 A444 L445 V446 E566 V569	S438-C442 PolarHBondContact O-N 3.42Å; S438-C442 PolarHBondContact O-SG 3.14Å; H439-C442 WeakPolarHBondContact O-CB 3.26Å; H439-C442 PolarHBondContact O-N 2.86Å; C442-A444 VanDerWaalsContact C-N 3.32Å; C442-A444 PolarHBondContact O-N 3.38Å; C442-L445 WeakPolarHBondContact O-CB 3.39Å; C442-L445 PolarHBondContact O-N 3.49Å; C442-V446 WeakPolarHBondContact O-CG2 3.43Å; C442-V446 PolarHBondContact O-N 2.85Å; C442-E566 HydrophobicContact CB-CB 4.13Å; C442-E566 HydrophobicContact CB-CG 4.11Å; C442-V569 HydrophobicContact CB-CG2 3.88Å
443	A	98.8	Very high	97.4	Very high	2 Å²	2	15.3 Å²	15.3	2%	0.017	7%	0.071	C	C	.	.	H	α-helix	trans	-59.7	-39.4	178	0	0	0	0	0	113.1	I413 H439 K440 Q441 L445 V446 A447 Y481 M485	I413-A443 VanDerWaalsContact CG2-C 3.45Å; I413-A443 HydrophobicContact CG2-CB 3.78Å; I413-A443 VanDerWaalsContact CG2-O 3.32Å; I413-A443 WeakPolarHBondContact CG2-O 3.34Å; H439-A443 PolarHBondContact O-N 2.79Å; K440-A443 PolarHBondContact O-N 2.9Å; Q441-A443 PolarHBondContact O-N 2.85Å; A443-L445 VanDerWaalsContact C-N 3.32Å; A443-L445 PolarHBondContact O-N 3.22Å; A443-V446 PolarHBondContact O-N 3.11Å; A443-A447 WeakPolarHBondContact O-CB 3.15Å; A443-A447 PolarHBondContact O-N 2.93Å; A443-Y481 WeakPolarHBondContact CA-OH 3.33Å; A443-Y481 HydrophobicContact CB-CE1 4.3Å; A443-Y481 WeakPolarHBondContact CB-OH 3.14Å; A443-Y481 PolarHBondContact N-OH 3.3Å; A443-M485 HydrophobicContact CB-CB 4.05Å; A443-M485 HydrophobicContact CB-CE 3.79Å; A443-M485 HydrophobicContact CB-CG 3.85Å
444	A	98.7	Very high	97.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.4	-35.5	175.1	0	0	0	0	0	113	A417 I420 L421 K440 Q441 C442 R448	A417-A444 HydrophobicContact CB-CB 4.14Å; I420-A444 HydrophobicContact CD1-CB 4.03Å; I420-A444 HydrophobicContact CG1-CB 4.3Å; L421-A444 HydrophobicContact CD1-CB 4.34Å; L421-A444 HydrophobicContact CG-CB 4.45Å; K440-A444 PolarHBondContact O-N 3.29Å; K440-A444 VanDerWaalsContact O-N 3.16Å; Q441-A444 PolarHBondContact O-N 2.98Å; C442-A444 VanDerWaalsContact C-N 3.32Å; C442-A444 PolarHBondContact O-N 3.38Å; A444-R448 VanDerWaalsContact O-CG 3.22Å; A444-R448 WeakPolarHBondContact O-CG 3.38Å; A444-R448 PolarHBondContact O-N 3.18Å
445	L	98.7	Very high	96.7	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.016	9%	0.092	C	C	.	.	H	α-helix	trans	-71.5	-47.8	174.7	-71.6	171.5	0	0	0	112.1	L327 W331 L421 I425 L437 Q441 C442 A443 A447 R448 M449 V569 L572	L327-L445 HydrophobicContact CD2-CD2 4.19Å; W331-L445 HydrophobicContact CH2-CD2 3.63Å; W331-L445 HydrophobicContact CZ2-CD2 3.87Å; L421-L445 HydrophobicContact CD1-CD2 3.69Å; L421-L445 HydrophobicContact CD1-CG 4Å; L421-L445 HydrophobicContact CD2-CD1 4.41Å; L421-L445 HydrophobicContact CD2-CD2 4.49Å; L421-L445 HydrophobicContact CD2-CG 4.1Å; I425-L445 HydrophobicContact CD1-CD1 4.12Å; I425-L445 HydrophobicContact CD1-CD2 3.99Å; L437-L445 HydrophobicContact CD2-CD1 3.62Å; Q441-L445 PolarHBondContact O-N 3.2Å; C442-L445 WeakPolarHBondContact O-CB 3.39Å; C442-L445 PolarHBondContact O-N 3.49Å; A443-L445 VanDerWaalsContact C-N 3.32Å; A443-L445 PolarHBondContact O-N 3.22Å; L445-A447 VanDerWaalsContact C-N 3.34Å; L445-A447 PolarHBondContact O-N 2.85Å; L445-R448 WeakPolarHBondContact O-CB 3.46Å; L445-R448 PolarHBondContact O-N 2.89Å; L445-M449 PolarHBondContact O-N 2.81Å; L445-V569 HydrophobicContact CB-CG2 4.11Å; L445-V569 HydrophobicContact CD1-CG1 3.73Å; L445-V569 HydrophobicContact CD1-CG2 4.26Å; L445-L572 HydrophobicContact CB-CD1 3.96Å; L445-L572 HydrophobicContact CD2-CD1 4.43Å
446	V	98.8	Very high	96.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.2	-37	179.2	-172.7	0	0	0	0	110.7	C442 A443 R448 M449 F460 Y481 F482 P565 M568 V569	C442-V446 WeakPolarHBondContact O-CG2 3.43Å; C442-V446 PolarHBondContact O-N 2.85Å; A443-V446 PolarHBondContact O-N 3.11Å; V446-R448 PolarHBondContact O-N 2.89Å; V446-M449 HydrophobicContact CB-SD 4.48Å; V446-M449 HydrophobicContact CG1-SD 4.25Å; V446-M449 VanDerWaalsContact O-CB 3.3Å; V446-M449 WeakPolarHBondContact O-CB 3.28Å; V446-M449 PolarHBondContact O-N 3.08Å; V446-F460 HydrophobicContact CG1-CE2 3.93Å; V446-F460 HydrophobicContact CG1-CZ 3.8Å; V446-F460 WeakPolarHBondContact O-CE2 3.14Å; V446-Y481 HydrophobicContact CB-CE1 4.2Å; V446-Y481 HydrophobicContact CG1-CE1 4.31Å; V446-F482 HydrophobicContact CB-CZ 4.18Å; V446-F482 HydrophobicContact CG1-CZ 3.91Å; V446-P565 WeakPolarHBondContact CG2-O 3.47Å; V446-M568 HydrophobicContact CG1-SD 4.21Å; V446-M568 HydrophobicContact CG2-CB 4.29Å; V446-V569 HydrophobicContact CG2-CG2 3.85Å
447	A	98.7	Very high	96	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.7	-28.4	172.7	0	0	0	0	0	112.7	V410 I413 A414 A443 L445 M449 F450 F451 F482	V410-A447 HydrophobicContact CG1-CB 4.33Å; I413-A447 HydrophobicContact CB-CB 4.13Å; I413-A447 HydrophobicContact CG2-CB 3.73Å; A414-A447 HydrophobicContact CB-CB 3.87Å; A443-A447 WeakPolarHBondContact O-CB 3.15Å; A443-A447 PolarHBondContact O-N 2.93Å; L445-A447 VanDerWaalsContact C-N 3.34Å; L445-A447 PolarHBondContact O-N 2.85Å; A447-M449 VanDerWaalsContact C-N 3.3Å; A447-M449 PolarHBondContact O-N 2.9Å; A447-F450 PolarHBondContact O-N 2.84Å; A447-F451 VanDerWaalsContact O-CD2 3.3Å; A447-F451 WeakPolarHBondContact O-CD2 3.18Å; A447-F482 HydrophobicContact CB-CD1 4.34Å; A447-F482 HydrophobicContact CB-CE1 3.62Å; A447-F482 HydrophobicContact CB-CZ 4.08Å
448	R	97.4	Very high	95.8	Very high	34 Å²	34	26.4 Å²	26.4	13%	0.128	14%	0.137	C	C	.	.	H	α-helix	trans	-74.1	-17.5	174.3	-71.8	-75.5	175.5	166	1.7	113.2	W331 A414 A417 A444 L445 V446 F450 F451 A452	W331-R448 VanDerWaalsContact CB-CZ 3.44Å; W331-R448 HydrophobicContact CE3-CG 4.24Å; A414-R448 HydrophobicContact CB-CG 4.48Å; A414-R448 PolarHBondContact O-NE 3.2Å; A414-R448 PolarHBondContact O-NH2 2.89Å; A417-R448 HydrophobicContact CB-CG 4.21Å; A444-R448 VanDerWaalsContact O-CG 3.22Å; A444-R448 WeakPolarHBondContact O-CG 3.38Å; A444-R448 PolarHBondContact O-N 3.18Å; L445-R448 WeakPolarHBondContact O-CB 3.46Å; L445-R448 PolarHBondContact O-N 2.89Å; V446-R448 PolarHBondContact O-N 2.89Å; R448-F450 VanDerWaalsContact C-N 3.29Å; R448-F450 PolarHBondContact O-N 2.83Å; R448-F451 CarbonylContact O-C 3.46Å; R448-F451 WeakPolarHBondContact O-CA 3.39Å; R448-F451 PolarHBondContact O-N 3.45Å; R448-A452 PolarHBondContact O-N 3.09Å
449	M	97.9	Very high	95.6	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.02	13%	0.129	C	C	.	.	H	α-helix	trans	-68.7	-23.9	173.7	-63.5	169.5	62.6	0	0	112.9	L445 V446 A447 F451 F458 F460 L550 M568 L572	L445-M449 PolarHBondContact O-N 2.81Å; V446-M449 HydrophobicContact CB-SD 4.48Å; V446-M449 HydrophobicContact CG1-SD 4.25Å; V446-M449 VanDerWaalsContact O-CB 3.3Å; V446-M449 WeakPolarHBondContact O-CB 3.28Å; V446-M449 PolarHBondContact O-N 3.08Å; A447-M449 VanDerWaalsContact C-N 3.3Å; A447-M449 PolarHBondContact O-N 2.9Å; M449-F451 PolarHBondContact O-N 3.37Å; M449-F458 VanDerWaalsContact CB-O 3.31Å; M449-F458 WeakPolarHBondContact CB-O 3.35Å; M449-F458 HydrophobicContact CE-CB 4.43Å; M449-F458 WeakPolarHBondContact CG-O 3.27Å; M449-F460 HydrophobicContact CB-CD2 3.62Å; M449-F460 HydrophobicContact CB-CE2 3.58Å; M449-F460 HydrophobicContact CB-CG 4.35Å; M449-F460 HydrophobicContact CB-CZ 4.28Å; M449-F460 HydrophobicContact CE-CE1 4.3Å; M449-F460 HydrophobicContact CE-CZ 4.15Å; M449-F460 PolarHBondContact O-N 2.91Å; M449-F460 HydrophobicContact SD-CZ 4.48Å; M449-L550 HydrophobicContact CE-CD1 3.96Å; M449-L550 HydrophobicContact CE-CD2 3.8Å; M449-M568 HydrophobicContact CE-CB 4.3Å; M449-M568 HydrophobicContact SD-CB 4.21Å; M449-L572 HydrophobicContact CG-CD2 4.37Å; M449-L572 HydrophobicContact SD-CD1 4.48Å; M449-L572 HydrophobicContact SD-CD2 4.44Å
450	F	97.8	Very high	95.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.8	167.7	-86.5	-98.7	0	0	0	111.8	F366 L370 W374 V410 A447 R448 F460 L464 L475 F479 F482	F366-F450 HydrophobicContact CZ-CD1 4.15Å; F366-F450 HydrophobicContact CZ-CE1 4.45Å; L370-F450 HydrophobicContact CD2-CB 4.22Å; L370-F450 HydrophobicContact CD2-CD1 4.26Å; L370-F450 VanDerWaalsContact CD2-O 3.3Å; L370-F450 WeakPolarHBondContact CD2-O 3.42Å; W374-F450 PolarHBondContact NE1-O 2.94Å; V410-F450 HydrophobicContact CG1-CB 4.27Å; V410-F450 HydrophobicContact CG1-CD1 4.46Å; V410-F450 HydrophobicContact CG1-CD2 3.79Å; V410-F450 HydrophobicContact CG1-CE2 4.3Å; V410-F450 HydrophobicContact CG1-CG 3.92Å; A447-F450 PolarHBondContact O-N 2.84Å; R448-F450 VanDerWaalsContact C-N 3.29Å; R448-F450 PolarHBondContact O-N 2.83Å; F450-F460 AromaticContact CD2-CD2 3.27Å; F450-F460 HydrophobicContact CD2-CD2 3.27Å; F450-F460 AromaticContact CD2-CE2 3.67Å; F450-F460 HydrophobicContact CD2-CE2 3.67Å; F450-F460 HydrophobicContact CD2-CG 4.32Å; F450-F460 AromaticContact CE2-CD2 3.42Å; F450-F460 HydrophobicContact CE2-CD2 3.42Å; F450-F460 VanDerWaalsContact CE2-CD2 3.42Å; F450-F460 AromaticContact CE2-CE2 3.63Å; F450-F460 HydrophobicContact CE2-CE2 3.63Å; F450-F460 HydrophobicContact CE2-CG 4.27Å; F450-F460 AromaticContact CG-CD2 3.95Å; F450-F460 HydrophobicContact CG-CD2 3.95Å; F450-F460 HydrophobicContact CZ-CD2 4.25Å; F450-L464 HydrophobicContact CD1-CD1 4.03Å; F450-L464 HydrophobicContact CE1-CD1 4.26Å; F450-L464 HydrophobicContact CE1-CD2 4Å; F450-L475 HydrophobicContact CZ-CD2 4.49Å; F450-F479 HydrophobicContact CE1-CE1 4.12Å; F450-F479 AromaticContact CE1-CZ 3.85Å; F450-F479 HydrophobicContact CE1-CZ 3.85Å; F450-F479 HydrophobicContact CZ-CE1 4.04Å; F450-F479 AromaticContact CZ-CZ 3.98Å; F450-F479 HydrophobicContact CZ-CZ 3.98Å; F450-F482 HydrophobicContact CD2-CE2 4.29Å; F450-F482 HydrophobicContact CE2-CD2 4.44Å; F450-F482 AromaticContact CE2-CE2 3.71Å; F450-F482 HydrophobicContact CE2-CE2 3.71Å; F450-F482 HydrophobicContact CE2-CZ 4.44Å
451	F	95.5	Very high	95.4	Very high	3 Å²	3	21.4 Å²	21.4	1%	0.013	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	8.6	-173	-54.3	-60.7	0	0	0	113	R330 L351 F366 L369 L370 M373 V410 A414 A447 R448 M449	R330-F451 PolarHBondContact NH1-O 3.19Å; L351-F451 HydrophobicContact CD2-CE2 4.25Å; L351-F451 HydrophobicContact CD2-CZ 4.18Å; F366-F451 HydrophobicContact CE2-CZ 4.32Å; L369-F451 HydrophobicContact CD2-CE1 3.7Å; L369-F451 HydrophobicContact CD2-CZ 3.91Å; L369-F451 HydrophobicContact CG-CE1 3.87Å; L370-F451 HydrophobicContact CD2-CD1 4.02Å; L370-F451 HydrophobicContact CD2-CE1 3.83Å; M373-F451 HydrophobicContact CB-CB 3.99Å; M373-F451 HydrophobicContact CB-CD1 3.77Å; M373-F451 HydrophobicContact CB-CG 4.27Å; M373-F451 HydrophobicContact CE-CB 3.76Å; M373-F451 HydrophobicContact CE-CD1 4.19Å; M373-F451 HydrophobicContact CE-CG 3.89Å; M373-F451 HydrophobicContact CG-CB 4.43Å; M373-F451 HydrophobicContact CG-CD1 3.66Å; M373-F451 HydrophobicContact CG-CE1 4.31Å; M373-F451 HydrophobicContact CG-CG 4.27Å; V410-F451 HydrophobicContact CG1-CE2 4.26Å; A414-F451 HydrophobicContact CB-CD2 3.73Å; A414-F451 HydrophobicContact CB-CE2 3.54Å; A447-F451 VanDerWaalsContact O-CD2 3.3Å; A447-F451 WeakPolarHBondContact O-CD2 3.18Å; R448-F451 CarbonylContact O-C 3.46Å; R448-F451 WeakPolarHBondContact O-CA 3.39Å; R448-F451 PolarHBondContact O-N 3.45Å; M449-F451 PolarHBondContact O-N 3.37Å
452	A	93.1	Very high	95.2	Very high	15 Å²	15	23.8 Å²	23.8	12%	0.124	12%	0.121	C	C	.	.	S	Bend	trans	-74	139.1	167.3	0	0	0	0	0	109.8	W374 R448 S459	W374-A452 PolarHBondContact NE1-O 3.1Å; R448-A452 PolarHBondContact O-N 3.09Å; A452-S459 PolarHBondContact O-OG 2.79Å
453	R	90.9	Very high	95.2	Very high	82 Å²	82	23.8 Å²	23.8	31%	0.309	12%	0.121	S	C	.	.			trans	-54.8	150.5	179.8	-65.9	168.3	56.3	88.2	9.6	111.3	E375 D455 S456 S459	E375-R453 VanDerWaalsContact CB-NH1 3.33Å; E375-R453 WeakPolarHBondContact OE2-CD 3.39Å; E375-R453 IonicContact OE2-CZ 3.43Å; E375-R453 IonicContact OE2-NE 2.68Å; E375-R453 IonicContact OE2-NH1 3.45Å; E375-R453 PolarHBondContact OE2-NH1 3.22Å; R453-D455 WeakPolarHBondContact CB-OD1 3.47Å; R453-D455 IonicContact CZ-OD1 2.76Å; R453-D455 IonicContact CZ-OD2 2.63Å; R453-D455 VanDerWaalsContact CZ-OD2 3.31Å; R453-D455 IonicContact NE-OD1 2.68Å; R453-D455 PolarHBondContact NE-OD1 3.07Å; R453-D455 IonicContact NE-OD2 3.38Å; R453-D455 PolarHBondContact NE-OD2 3.06Å; R453-D455 VanDerWaalsContact NE-OD2 3.08Å; R453-D455 IonicContact NH2-OD1 3.74Å; R453-D455 IonicContact NH2-OD2 3.66Å; R453-D455 PolarHBondContact NH2-OD2 3.43Å; R453-D455 PolarHBondContact O-N 3.4Å; R453-D455 VanDerWaalsContact O-N 3.14Å; R453-S456 WeakPolarHBondContact O-CB 3.49Å; R453-S456 PolarHBondContact O-N 2.72Å; R453-S459 VanDerWaalsContact O-CB 3.23Å; R453-S459 WeakPolarHBondContact O-CB 3.3Å
454	P	90.1	Very high	95.1	Very high	20 Å²	20	23.7 Å²	23.7	13%	0.13	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.9	178.8	-28	36	0	0	0	115.3	W374 Y382 S456 C461	W374-P454 HydrophobicContact CB-CG 4.29Å; W374-P454 HydrophobicContact CD2-CG 3.97Å; W374-P454 HydrophobicContact CE3-CG 3.88Å; W374-P454 HydrophobicContact CG-CG 4.16Å; Y382-P454 HydrophobicContact CD2-CG 4.48Å; Y382-P454 HydrophobicContact CE1-CB 4.29Å; Y382-P454 HydrophobicContact CE1-CG 4.44Å; Y382-P454 HydrophobicContact CE2-CB 4.39Å; Y382-P454 HydrophobicContact CE2-CG 3.81Å; P454-S456 VanDerWaalsContact C-N 3.34Å; P454-C461 HydrophobicContact CB-CB 4.21Å; P454-C461 HydrophobicContact CG-CB 4.32Å
455	D	88.2	Confident	94.9	Very high	110 Å²	110	25.2 Å²	25.2	59%	0.588	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.8	174.8	58.3	5.2	0	0	0	113.9	R453	R453-D455 WeakPolarHBondContact CB-OD1 3.47Å; R453-D455 IonicContact CZ-OD1 2.76Å; R453-D455 IonicContact CZ-OD2 2.63Å; R453-D455 VanDerWaalsContact CZ-OD2 3.31Å; R453-D455 IonicContact NE-OD1 2.68Å; R453-D455 PolarHBondContact NE-OD1 3.07Å; R453-D455 IonicContact NE-OD2 3.38Å; R453-D455 PolarHBondContact NE-OD2 3.06Å; R453-D455 VanDerWaalsContact NE-OD2 3.08Å; R453-D455 IonicContact NH2-OD1 3.74Å; R453-D455 IonicContact NH2-OD2 3.66Å; R453-D455 PolarHBondContact NH2-OD2 3.43Å; R453-D455 PolarHBondContact O-N 3.4Å; R453-D455 VanDerWaalsContact O-N 3.14Å
456	S	90.6	Very high	94.8	Very high	32 Å²	32	25.4 Å²	25.4	22%	0.224	13%	0.133	C	C	.	.	S	Bend	trans	-79.3	128.5	172.4	173.4	0	0	0	0	110.2	R453 P454 F458 S459	R453-S456 WeakPolarHBondContact O-CB 3.49Å; R453-S456 PolarHBondContact O-N 2.72Å; P454-S456 VanDerWaalsContact C-N 3.34Å; S456-F458 PolarHBondContact O-N 2.9Å; S456-F458 VanDerWaalsContact O-N 3.1Å; S456-F458 PolarHBondContact OG-N 2.66Å; S456-S459 WeakPolarHBondContact O-CB 3.4Å; S456-S459 PolarHBondContact O-N 2.84Å; S456-S459 VanDerWaalsContact O-N 3.07Å
457	P	90.2	Very high	94.6	Very high	73 Å²	73	30.4 Å²	30.4	47%	0.474	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.3	176.2	25.7	-34.3	0	0	0	112.1	S459 L550	P457-S459 VanDerWaalsContact C-N 3.32Å; P457-S459 PolarHBondContact O-N 3.42Å; P457-L550 WeakPolarHBondContact O-CD1 3.37Å
458	F	94.1	Very high	94.4	Very high	58 Å²	58	35 Å²	35	25%	0.254	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	23.1	178.2	-43.5	-60	0	0	0	114.5	M449 S456 M571 L572	M449-F458 VanDerWaalsContact CB-O 3.31Å; M449-F458 WeakPolarHBondContact CB-O 3.35Å; M449-F458 HydrophobicContact CE-CB 4.43Å; M449-F458 WeakPolarHBondContact CG-O 3.27Å; S456-F458 PolarHBondContact O-N 2.9Å; S456-F458 VanDerWaalsContact O-N 3.1Å; S456-F458 PolarHBondContact OG-N 2.66Å; F458-M571 HydrophobicContact CD1-CB 4.06Å; F458-M571 HydrophobicContact CE1-CB 4.06Å; F458-M571 WeakPolarHBondContact CE1-O 3.46Å; F458-M571 VanDerWaalsContact CZ-O 3.29Å; F458-M571 WeakPolarHBondContact CZ-O 3.42Å; F458-L572 HydrophobicContact CB-CD2 3.58Å; F458-L572 HydrophobicContact CD1-CD2 4.17Å; F458-L572 HydrophobicContact CD2-CD2 3.83Å; F458-L572 HydrophobicContact CG-CD2 3.59Å
459	S	94.9	Very high	94.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	20%	0.197	C	C	.	.			trans	-95.8	130.5	179.3	-173.7	0	0	0	0	112.3	A452 R453 S456 P457 C461	A452-S459 PolarHBondContact O-OG 2.79Å; R453-S459 VanDerWaalsContact O-CB 3.23Å; R453-S459 WeakPolarHBondContact O-CB 3.3Å; S456-S459 WeakPolarHBondContact O-CB 3.4Å; S456-S459 PolarHBondContact O-N 2.84Å; S456-S459 VanDerWaalsContact O-N 3.07Å; P457-S459 VanDerWaalsContact C-N 3.32Å; P457-S459 PolarHBondContact O-N 3.42Å; S459-C461 PolarHBondContact O-N 3Å; S459-C461 VanDerWaalsContact O-N 3.13Å; S459-C461 VanDerWaalsContact OG-CB 3.27Å; S459-C461 WeakPolarHBondContact OG-CB 3.38Å; S459-C461 PolarHBondContact OG-N 3.43Å; S459-C461 VanDerWaalsContact OG-N 3.12Å
460	F	97.6	Very high	94.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-3	168.4	-70.4	-53.3	0	0	0	113.3	V446 M449 F450 R462 I463 L464 L478 L550 M568	V446-F460 HydrophobicContact CG1-CE2 3.93Å; V446-F460 HydrophobicContact CG1-CZ 3.8Å; V446-F460 WeakPolarHBondContact O-CE2 3.14Å; M449-F460 HydrophobicContact CB-CD2 3.62Å; M449-F460 HydrophobicContact CB-CE2 3.58Å; M449-F460 HydrophobicContact CB-CG 4.35Å; M449-F460 HydrophobicContact CB-CZ 4.28Å; M449-F460 HydrophobicContact CE-CE1 4.3Å; M449-F460 HydrophobicContact CE-CZ 4.15Å; M449-F460 PolarHBondContact O-N 2.91Å; M449-F460 HydrophobicContact SD-CZ 4.48Å; F450-F460 AromaticContact CD2-CD2 3.27Å; F450-F460 HydrophobicContact CD2-CD2 3.27Å; F450-F460 AromaticContact CD2-CE2 3.67Å; F450-F460 HydrophobicContact CD2-CE2 3.67Å; F450-F460 HydrophobicContact CD2-CG 4.32Å; F450-F460 AromaticContact CE2-CD2 3.42Å; F450-F460 HydrophobicContact CE2-CD2 3.42Å; F450-F460 VanDerWaalsContact CE2-CD2 3.42Å; F450-F460 AromaticContact CE2-CE2 3.63Å; F450-F460 HydrophobicContact CE2-CE2 3.63Å; F450-F460 HydrophobicContact CE2-CG 4.27Å; F450-F460 AromaticContact CG-CD2 3.95Å; F450-F460 HydrophobicContact CG-CD2 3.95Å; F450-F460 HydrophobicContact CZ-CD2 4.25Å; F460-R462 PolarHBondContact O-N 2.7Å; F460-R462 VanDerWaalsContact O-N 3.14Å; F460-I463 HydrophobicContact CD1-CD1 3.63Å; F460-I463 HydrophobicContact CD1-CG1 4.32Å; F460-I463 HydrophobicContact CE1-CD1 4.08Å; F460-I463 PolarHBondContact O-N 2.91Å; F460-I463 VanDerWaalsContact O-N 3.1Å; F460-L464 HydrophobicContact CB-CD1 4.19Å; F460-L464 WeakPolarHBondContact O-CD1 3.29Å; F460-L464 VanDerWaalsContact O-CG 3.22Å; F460-L464 WeakPolarHBondContact O-CG 3.15Å; F460-L464 PolarHBondContact O-N 3.32Å; F460-L478 HydrophobicContact CD1-CD1 3.93Å; F460-L478 HydrophobicContact CE1-CD1 3.62Å; F460-L478 HydrophobicContact CE1-CD2 3.93Å; F460-L478 HydrophobicContact CE1-CG 4.46Å; F460-L478 HydrophobicContact CE2-CD1 4.48Å; F460-L478 HydrophobicContact CE2-CD2 4.36Å; F460-L478 HydrophobicContact CG-CD1 4.5Å; F460-L478 HydrophobicContact CZ-CD1 3.92Å; F460-L478 HydrophobicContact CZ-CD2 3.58Å; F460-L478 HydrophobicContact CZ-CG 4.43Å; F460-L550 HydrophobicContact CD1-CD2 3.49Å; F460-L550 VanDerWaalsContact CD1-CD2 3.49Å; F460-L550 HydrophobicContact CE1-CD2 3.36Å; F460-L550 HydrophobicContact CZ-CD2 4.41Å; F460-M568 HydrophobicContact CE1-CE 4.45Å; F460-M568 HydrophobicContact CE1-SD 3.81Å; F460-M568 HydrophobicContact CZ-SD 3.65Å
461	C	95.1	Very high	94.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-48.1	-42	174.3	-175.6	0	0	0	0	111.9	W374 P454 S459 L464 S465	W374-C461 HydrophobicContact CH2-CB 3.96Å; W374-C461 VanDerWaalsContact CH2-SG 3.58Å; W374-C461 HydrophobicContact CZ2-CB 3.85Å; P454-C461 HydrophobicContact CB-CB 4.21Å; P454-C461 HydrophobicContact CG-CB 4.32Å; S459-C461 PolarHBondContact O-N 3Å; S459-C461 VanDerWaalsContact O-N 3.13Å; S459-C461 VanDerWaalsContact OG-CB 3.27Å; S459-C461 WeakPolarHBondContact OG-CB 3.38Å; S459-C461 PolarHBondContact OG-N 3.43Å; S459-C461 VanDerWaalsContact OG-N 3.12Å; C461-L464 PolarHBondContact O-N 3.23Å; C461-L464 VanDerWaalsContact O-N 3.17Å; C461-S465 WeakPolarHBondContact O-CB 3.38Å; C461-S465 PolarHBondContact O-N 2.65Å; C461-S465 PolarHBondContact O-OG 3.22Å
462	R	93.9	Very high	94.4	Very high	62 Å²	62	37.3 Å²	37.3	23%	0.234	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-46.6	179.1	-65	-175.1	-175.9	-177	-3.9	112.7	E16 F460 S466 L550 N551	E16-R462 IonicContact OE1-NH1 2.65Å; E16-R462 PolarHBondContact OE1-NH1 3.41Å; F460-R462 PolarHBondContact O-N 2.7Å; F460-R462 VanDerWaalsContact O-N 3.14Å; R462-S466 WeakPolarHBondContact O-CB 3.44Å; R462-S466 PolarHBondContact O-N 2.83Å; R462-L550 WeakPolarHBondContact CB-O 3.21Å; R462-N551 WeakPolarHBondContact CD-OD1 3.19Å; R462-N551 PolarHBondContact NH1-ND2 2.83Å; R462-N551 PolarHBondContact NH1-OD1 3.32Å
463	I	97.4	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.4	-49.3	171.8	-53.7	-173.1	0	0	0	110.2	A386 F460 S465 S466 C471 K474 L475 L478 L550	A386-I463 WeakPolarHBondContact CB-O 3.25Å; F460-I463 HydrophobicContact CD1-CD1 3.63Å; F460-I463 HydrophobicContact CD1-CG1 4.32Å; F460-I463 HydrophobicContact CE1-CD1 4.08Å; F460-I463 PolarHBondContact O-N 2.91Å; F460-I463 VanDerWaalsContact O-N 3.1Å; I463-S465 VanDerWaalsContact C-N 3.33Å; I463-S465 PolarHBondContact O-N 3Å; I463-S466 PolarHBondContact O-N 3.13Å; I463-C471 HydrophobicContact CG2-CB 3.78Å; I463-C471 WeakPolarHBondContact O-CB 2.92Å; I463-K474 HydrophobicContact CD1-CB 4.3Å; I463-K474 HydrophobicContact CD1-CD 4.08Å; I463-K474 HydrophobicContact CG2-CB 4.11Å; I463-L475 HydrophobicContact CG2-CD2 4.12Å; I463-L475 HydrophobicContact CG2-CG 4.05Å; I463-L478 HydrophobicContact CD1-CD1 3.91Å; I463-L550 WeakPolarHBondContact CG1-O 3.4Å; I463-L550 PolarHBondContact N-O 2.95Å
464	L	97.7	Very high	95	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.9	-33.4	-172.1	-63.5	164.1	0	0	0	112.8	L370 W374 L384 A386 L387 F450 F460 C461 L475	L370-L464 HydrophobicContact CD1-CD1 4.24Å; L370-L464 HydrophobicContact CD2-CD1 4.48Å; W374-L464 HydrophobicContact CH2-CD1 4.39Å; W374-L464 HydrophobicContact CZ2-CD1 4.04Å; L384-L464 CarbonylContact C-O 3.48Å; L384-L464 WeakPolarHBondContact CA-O 3.45Å; L384-L464 HydrophobicContact CD2-CB 4.04Å; A386-L464 PolarHBondContact N-O 3.46Å; L387-L464 HydrophobicContact CB-CD2 3.92Å; L387-L464 HydrophobicContact CD1-CD2 3.79Å; L387-L464 HydrophobicContact CD2-CD2 4.14Å; L387-L464 HydrophobicContact CG-CD2 4.13Å; F450-L464 HydrophobicContact CD1-CD1 4.03Å; F450-L464 HydrophobicContact CE1-CD1 4.26Å; F450-L464 HydrophobicContact CE1-CD2 4Å; F460-L464 HydrophobicContact CB-CD1 4.19Å; F460-L464 WeakPolarHBondContact O-CD1 3.29Å; F460-L464 VanDerWaalsContact O-CG 3.22Å; F460-L464 WeakPolarHBondContact O-CG 3.15Å; F460-L464 PolarHBondContact O-N 3.32Å; C461-L464 PolarHBondContact O-N 3.23Å; C461-L464 VanDerWaalsContact O-N 3.17Å; L464-L475 HydrophobicContact CD2-CD1 4.24Å; L464-L475 HydrophobicContact CD2-CD2 3.66Å
465	S	95.1	Very high	95.4	Very high	31 Å²	31	32.2 Å²	32.2	22%	0.217	18%	0.175	C	C	.	.	H	α-helix	trans	-90.2	-8.5	180	65.8	0	0	0	0	115	K383 P385 C461 I463	K383-S465 WeakPolarHBondContact O-CA 3.26Å; K383-S465 WeakPolarHBondContact O-CB 3.31Å; P385-S465 WeakPolarHBondContact CD-O 3.33Å; P385-S465 WeakPolarHBondContact CG-O 3.28Å; C461-S465 WeakPolarHBondContact O-CB 3.38Å; C461-S465 PolarHBondContact O-N 2.65Å; C461-S465 PolarHBondContact O-OG 3.22Å; I463-S465 VanDerWaalsContact C-N 3.33Å; I463-S465 PolarHBondContact O-N 3Å
466	S	95.2	Very high	95.9	Very high	8 Å²	8	28.1 Å²	28.1	6%	0.056	15%	0.152	C	C	.	.			trans	-70.1	142.9	-177.8	-176.7	0	0	0	0	112.4	P385 A386 R462 I463 K468 C471 H552	P385-S466 WeakPolarHBondContact CG-O 3.39Å; A386-S466 WeakPolarHBondContact CB-O 3.24Å; A386-S466 PolarHBondContact N-O 2.83Å; R462-S466 WeakPolarHBondContact O-CB 3.44Å; R462-S466 PolarHBondContact O-N 2.83Å; I463-S466 PolarHBondContact O-N 3.13Å; S466-K468 VanDerWaalsContact C-N 3.35Å; S466-K468 PolarHBondContact OG-N 2.93Å; S466-K468 VanDerWaalsContact OG-N 3.17Å; S466-C471 WeakPolarHBondContact CB-SG 3.08Å; S466-C471 PolarHBondContact OG-SG 3.11Å; S466-H552 PolarHBondContact OG-CD2 3.13Å; S466-H552 PolarHBondContact OG-NE2 3.43Å
467	D	94.4	Very high	96.3	Very high	105 Å²	105	26.6 Å²	26.6	56%	0.561	14%	0.142	S	C	*	.			trans	-82.8	-12.3	171.8	70	-40.7	0	0	0	112.8
468	K	94.6	Very high	96.7	Very high	95 Å²	95	23.1 Å²	23.1	41%	0.413	12%	0.119	S	C	.	.	S	Bend	trans	-78.7	131.7	-173.1	-49.4	-53.9	179.1	-131.8	0	111.2	S466 I470 C471	S466-K468 VanDerWaalsContact C-N 3.35Å; S466-K468 PolarHBondContact OG-N 2.93Å; S466-K468 VanDerWaalsContact OG-N 3.17Å; K468-I470 HydrophobicContact CB-CG2 3.75Å; K468-I470 PolarHBondContact O-N 3.24Å; K468-I470 VanDerWaalsContact O-N 3.12Å; K468-C471 WeakPolarHBondContact O-CB 3.29Å; K468-C471 PolarHBondContact O-N 3.46Å
469	S	95	Very high	96.9	Very high	73 Å²	73	20.4 Å²	20.4	51%	0.51	11%	0.107	S	C	.	.	H	α-helix	trans	-57	-28.4	179.3	54.9	0	0	0	0	114	C471 V472 E473	S469-C471 PolarHBondContact O-N 3.18Å; S469-V472 WeakPolarHBondContact O-CB 3.41Å; S469-V472 PolarHBondContact O-N 3.38Å; S469-V472 VanDerWaalsContact O-N 3.08Å; S469-E473 PolarHBondContact O-N 2.75Å
470	I	96.8	Very high	97.1	Very high	16 Å²	16	22 Å²	22	8%	0.082	12%	0.117	C	C	.	.	H	α-helix	trans	-55.3	-35.3	172.4	-173.1	59.4	0	0	0	112.6	K468 V472 E473 K474 L601	K468-I470 HydrophobicContact CB-CG2 3.75Å; K468-I470 PolarHBondContact O-N 3.24Å; K468-I470 VanDerWaalsContact O-N 3.12Å; I470-V472 VanDerWaalsContact C-N 3.33Å; I470-V472 PolarHBondContact O-N 3.01Å; I470-E473 WeakPolarHBondContact O-CB 3.26Å; I470-E473 PolarHBondContact O-N 2.93Å; I470-K474 WeakPolarHBondContact O-CG 3.22Å; I470-K474 PolarHBondContact O-N 2.62Å; I470-L601 HydrophobicContact CD1-CB 3.72Å; I470-L601 HydrophobicContact CD1-CD2 3.99Å; I470-L601 HydrophobicContact CD1-CG 4.18Å
471	C	98.1	Very high	97.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-71.9	-27.3	179.6	-66	0	0	0	0	112.4	A386 I463 S466 K468 S469 K474 L475	A386-C471 HydrophobicContact CB-CB 3.94Å; I463-C471 HydrophobicContact CG2-CB 3.78Å; I463-C471 WeakPolarHBondContact O-CB 2.92Å; S466-C471 WeakPolarHBondContact CB-SG 3.08Å; S466-C471 PolarHBondContact OG-SG 3.11Å; K468-C471 WeakPolarHBondContact O-CB 3.29Å; K468-C471 PolarHBondContact O-N 3.46Å; S469-C471 PolarHBondContact O-N 3.18Å; C471-K474 PolarHBondContact O-N 2.69Å; C471-L475 WeakPolarHBondContact O-CG 2.96Å; C471-L475 PolarHBondContact O-N 3.18Å
472	V	98.4	Very high	97.4	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-68.7	-37.8	170.4	178.8	0	0	0	0	111.2	A386 M389 S469 I470 L475 K476	A386-V472 HydrophobicContact CB-CG2 4.11Å; M389-V472 HydrophobicContact CB-CG2 3.9Å; M389-V472 HydrophobicContact CE-CB 4.5Å; M389-V472 HydrophobicContact CE-CG2 3.48Å; M389-V472 VanDerWaalsContact CE-CG2 3.48Å; M389-V472 HydrophobicContact CG-CG2 4.02Å; S469-V472 WeakPolarHBondContact O-CB 3.41Å; S469-V472 PolarHBondContact O-N 3.38Å; S469-V472 VanDerWaalsContact O-N 3.08Å; I470-V472 VanDerWaalsContact C-N 3.33Å; I470-V472 PolarHBondContact O-N 3.01Å; V472-L475 PolarHBondContact O-N 3.41Å; V472-K476 PolarHBondContact O-N 3.36Å
473	E	98.4	Very high	97.6	Very high	10 Å²	10	19.7 Å²	19.7	5%	0.047	11%	0.109	C	C	.	.	H	α-helix	trans	-65	-44.2	172.4	-60.6	-62.3	146.8	0	0	111.3	S469 I470 L475 K476 F477 K602 W603	S469-E473 PolarHBondContact O-N 2.75Å; I470-E473 WeakPolarHBondContact O-CB 3.26Å; I470-E473 PolarHBondContact O-N 2.93Å; E473-L475 VanDerWaalsContact C-N 3.26Å; E473-L475 PolarHBondContact O-N 3.48Å; E473-K476 WeakPolarHBondContact O-CA 3.5Å; E473-K476 WeakPolarHBondContact O-CB 3.48Å; E473-K476 PolarHBondContact O-N 3.17Å; E473-K476 IonicContact OE1-NZ 2.89Å; E473-K476 PolarHBondContact OE1-NZ 3.43Å; E473-K476 IonicContact OE2-NZ 3.23Å; E473-F477 VanDerWaalsContact O-CD2 3.24Å; E473-F477 WeakPolarHBondContact O-CD2 3.36Å; E473-F477 PolarHBondContact O-N 2.93Å; E473-K602 HydrophobicContact CG-CD 3.76Å; E473-K602 WeakPolarHBondContact OE1-CD 3.34Å; E473-K602 IonicContact OE1-NZ 2.72Å; E473-K602 PolarHBondContact OE1-NZ 3.44Å; E473-K602 WeakPolarHBondContact OE2-CD 3.39Å; E473-W603 PolarHBondContact OE2-N 2.88Å
474	K	98.8	Very high	97.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-55.3	-39.4	172.6	-68.3	-170.8	176	-171.9	0	112.9	I463 I470 C471 K476 F477 L478 G548 V549 N551 G553 L562	I463-K474 HydrophobicContact CD1-CB 4.3Å; I463-K474 HydrophobicContact CD1-CD 4.08Å; I463-K474 HydrophobicContact CG2-CB 4.11Å; I470-K474 WeakPolarHBondContact O-CG 3.22Å; I470-K474 PolarHBondContact O-N 2.62Å; C471-K474 PolarHBondContact O-N 2.69Å; K474-K476 VanDerWaalsContact C-N 3.32Å; K474-K476 PolarHBondContact O-N 2.83Å; K474-F477 PolarHBondContact O-N 3.1Å; K474-L478 WeakPolarHBondContact O-CG 3.3Å; K474-L478 PolarHBondContact O-N 2.69Å; K474-G548 PolarHBondContact NZ-O 3.23Å; K474-V549 WeakPolarHBondContact CD-O 3.35Å; K474-V549 VanDerWaalsContact NZ-C 3.34Å; K474-V549 PolarHBondContact NZ-O 3.48Å; K474-N551 PolarHBondContact NZ-O 3Å; K474-G553 WeakPolarHBondContact CE-O 3.39Å; K474-G553 PolarHBondContact NZ-O 3.29Å; K474-L562 HydrophobicContact CB-CD2 3.94Å; K474-L562 HydrophobicContact CD-CD1 4.31Å; K474-L562 HydrophobicContact CD-CD2 4.36Å; K474-L562 HydrophobicContact CG-CD1 3.81Å; K474-L562 HydrophobicContact CG-CD2 3.87Å
475	L	98.8	Very high	97.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65	-32.9	174.9	-69.1	173.4	0	0	0	112.4	A386 L387 Y390 F450 I463 L464 C471 V472 E473 L478 F479	A386-L475 HydrophobicContact CB-CD1 4.17Å; L387-L475 HydrophobicContact CB-CD1 4.49Å; L387-L475 HydrophobicContact CD1-CD1 4.41Å; Y390-L475 HydrophobicContact CD2-CB 3.64Å; Y390-L475 HydrophobicContact CE2-CB 4.18Å; Y390-L475 HydrophobicContact CG-CB 4Å; Y390-L475 HydrophobicContact CG-CD1 4.3Å; F450-L475 HydrophobicContact CZ-CD2 4.49Å; I463-L475 HydrophobicContact CG2-CD2 4.12Å; I463-L475 HydrophobicContact CG2-CG 4.05Å; L464-L475 HydrophobicContact CD2-CD1 4.24Å; L464-L475 HydrophobicContact CD2-CD2 3.66Å; C471-L475 WeakPolarHBondContact O-CG 2.96Å; C471-L475 PolarHBondContact O-N 3.18Å; V472-L475 PolarHBondContact O-N 3.41Å; E473-L475 VanDerWaalsContact C-N 3.26Å; E473-L475 PolarHBondContact O-N 3.48Å; L475-L478 HydrophobicContact CD2-CD1 4.48Å; L475-L478 PolarHBondContact O-N 3.5Å; L475-F479 HydrophobicContact CB-CD2 4.06Å; L475-F479 HydrophobicContact CB-CE2 3.99Å; L475-F479 HydrophobicContact CD2-CE2 3.87Å; L475-F479 HydrophobicContact CD2-CZ 4.47Å; L475-F479 HydrophobicContact CG-CE2 4.36Å; L475-F479 WeakPolarHBondContact O-CD2 3.4Å; L475-F479 PolarHBondContact O-N 3.12Å
476	K	98.8	Very high	97.8	Very high	25 Å²	25	24.1 Å²	24.1	11%	0.109	13%	0.13	C	C	.	.	H	α-helix	trans	-62.5	-44.4	173.7	-63.7	166.4	-169.3	170.8	0	111.7	Y390 E393 M394 V472 E473 K474 T480 W603	Y390-K476 HydrophobicContact CD2-CG 4.01Å; Y390-K476 HydrophobicContact CE2-CB 4.41Å; Y390-K476 HydrophobicContact CE2-CG 3.73Å; E393-K476 VanDerWaalsContact OE2-CE 3.29Å; E393-K476 WeakPolarHBondContact OE2-CE 3.21Å; E393-K476 IonicContact OE2-NZ 3.71Å; E393-K476 PolarHBondContact OE2-NZ 3.17Å; M394-K476 HydrophobicContact SD-CG 4.44Å; V472-K476 PolarHBondContact O-N 3.36Å; E473-K476 WeakPolarHBondContact O-CA 3.5Å; E473-K476 WeakPolarHBondContact O-CB 3.48Å; E473-K476 PolarHBondContact O-N 3.17Å; E473-K476 IonicContact OE1-NZ 2.89Å; E473-K476 PolarHBondContact OE1-NZ 3.43Å; E473-K476 IonicContact OE2-NZ 3.23Å; K474-K476 VanDerWaalsContact C-N 3.32Å; K474-K476 PolarHBondContact O-N 2.83Å; K476-T480 WeakPolarHBondContact O-CB 3.1Å; K476-T480 PolarHBondContact O-N 3.01Å; K476-T480 VanDerWaalsContact O-N 3.14Å; K476-T480 PolarHBondContact O-OG1 3.37Å; K476-T480 VanDerWaalsContact O-OG1 3.09Å; K476-W603 HydrophobicContact CB-CB 3.57Å; K476-W603 HydrophobicContact CB-CD2 3.81Å; K476-W603 HydrophobicContact CB-CE3 4.18Å; K476-W603 HydrophobicContact CB-CG 3.52Å; K476-W603 HydrophobicContact CD-CB 4.28Å
477	F	98.9	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-57.8	-52.6	170.8	-69	-91.3	0	0	0	112.1	E473 K474 F479 T480 Y481 L562 M563 S593 L601 W603	E473-F477 VanDerWaalsContact O-CD2 3.24Å; E473-F477 WeakPolarHBondContact O-CD2 3.36Å; E473-F477 PolarHBondContact O-N 2.93Å; K474-F477 PolarHBondContact O-N 3.1Å; F477-F479 PolarHBondContact O-N 3.5Å; F477-T480 PolarHBondContact O-N 3.29Å; F477-Y481 PolarHBondContact O-N 3.4Å; F477-L562 HydrophobicContact CB-CB 4.14Å; F477-L562 HydrophobicContact CB-CD2 4.08Å; F477-L562 HydrophobicContact CD1-CB 3.8Å; F477-L562 WeakPolarHBondContact CD1-O 3.4Å; F477-L562 HydrophobicContact CD2-CB 4.11Å; F477-L562 HydrophobicContact CD2-CD1 4.42Å; F477-L562 HydrophobicContact CD2-CD2 4.33Å; F477-L562 HydrophobicContact CE1-CB 4.21Å; F477-L562 HydrophobicContact CE2-CB 4.5Å; F477-L562 HydrophobicContact CG-CB 3.76Å; F477-L562 HydrophobicContact CG-CD2 4.31Å; F477-M563 HydrophobicContact CE1-CG 4.34Å; F477-S593 WeakPolarHBondContact CE1-O 3.3Å; F477-L601 HydrophobicContact CZ-CD1 4.33Å; F477-W603 AromaticContact CD1-CD1 3.66Å; F477-W603 HydrophobicContact CD2-CB 3.98Å; F477-W603 AromaticContact CD2-CD1 3.89Å; F477-W603 HydrophobicContact CD2-CG 4.35Å; F477-W603 AromaticContact CE1-CD1 3.95Å; F477-W603 HydrophobicContact CE2-CB 3.74Å; F477-W603 HydrophobicContact CE2-CG 4.41Å; F477-W603 AromaticContact CG-CD1 3.61Å; F477-W603 HydrophobicContact CG-CG 4.46Å; F477-W603 HydrophobicContact CZ-CB 4.15Å
478	L	98.9	Very high	97.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-44.5	-173.4	-71.7	171	0	0	0	112.5	F460 I463 K474 L475 Y481 F482 P565 M568	F460-L478 HydrophobicContact CD1-CD1 3.93Å; F460-L478 HydrophobicContact CE1-CD1 3.62Å; F460-L478 HydrophobicContact CE1-CD2 3.93Å; F460-L478 HydrophobicContact CE1-CG 4.46Å; F460-L478 HydrophobicContact CE2-CD1 4.48Å; F460-L478 HydrophobicContact CE2-CD2 4.36Å; F460-L478 HydrophobicContact CG-CD1 4.5Å; F460-L478 HydrophobicContact CZ-CD1 3.92Å; F460-L478 HydrophobicContact CZ-CD2 3.58Å; F460-L478 HydrophobicContact CZ-CG 4.43Å; I463-L478 HydrophobicContact CD1-CD1 3.91Å; K474-L478 WeakPolarHBondContact O-CG 3.3Å; K474-L478 PolarHBondContact O-N 2.69Å; L475-L478 HydrophobicContact CD2-CD1 4.48Å; L475-L478 PolarHBondContact O-N 3.5Å; L478-Y481 WeakPolarHBondContact O-CB 3.34Å; L478-Y481 PolarHBondContact O-N 2.95Å; L478-F482 WeakPolarHBondContact O-CD2 3.5Å; L478-F482 PolarHBondContact O-N 2.79Å; L478-F482 VanDerWaalsContact O-N 3.17Å; L478-P565 HydrophobicContact CD2-CB 4.39Å; L478-M568 HydrophobicContact CD2-CE 4.09Å; L478-M568 HydrophobicContact CD2-SD 4.23Å
479	F	98.8	Very high	98	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-70.9	-36.7	178.5	-70.2	-62.2	0	0	0	112.2	F366 L387 Y390 K406 F407 V410 F450 L475 F477 Y481 F482 D483	F366-F479 HydrophobicContact CE1-CZ 4.42Å; L387-F479 HydrophobicContact CD1-CE2 4.19Å; L387-F479 HydrophobicContact CD1-CZ 4.05Å; Y390-F479 AromaticContact CD1-CD2 3.98Å; Y390-F479 HydrophobicContact CD1-CD2 3.98Å; Y390-F479 AromaticContact CD1-CE2 3.82Å; Y390-F479 HydrophobicContact CD1-CE2 3.82Å; Y390-F479 HydrophobicContact CD2-CD2 4.36Å; Y390-F479 AromaticContact CE1-CD2 3.37Å; Y390-F479 HydrophobicContact CE1-CD2 3.37Å; Y390-F479 AromaticContact CE1-CE2 3.61Å; Y390-F479 HydrophobicContact CE1-CE2 3.61Å; Y390-F479 HydrophobicContact CE1-CG 4.17Å; Y390-F479 AromaticContact CE2-CD2 3.79Å; Y390-F479 HydrophobicContact CE2-CD2 3.79Å; Y390-F479 HydrophobicContact CE2-CE2 4.49Å; Y390-F479 HydrophobicContact CG-CD2 4.45Å; Y390-F479 HydrophobicContact CG-CE2 4.37Å; Y390-F479 AromaticContact CZ-CD2 3.27Å; Y390-F479 AromaticContact CZ-CE2 3.99Å; Y390-F479 AromaticContact CZ-CG 3.96Å; Y390-F479 WeakPolarHBondContact OH-CB 3.41Å; K406-F479 HydrophobicContact CB-CB 4.48Å; K406-F479 HydrophobicContact CB-CD1 4.32Å; K406-F479 HydrophobicContact CD-CB 4.26Å; F407-F479 HydrophobicContact CD1-CD1 4.26Å; F407-F479 AromaticContact CD1-CE1 3.54Å; F407-F479 HydrophobicContact CD1-CE1 3.54Å; F407-F479 HydrophobicContact CD1-CE2 4.31Å; F407-F479 AromaticContact CD1-CZ 3.57Å; F407-F479 HydrophobicContact CD1-CZ 3.57Å; F407-F479 AromaticContact CE1-CE1 3.92Å; F407-F479 HydrophobicContact CE1-CE1 3.92Å; F407-F479 AromaticContact CE1-CE2 3.81Å; F407-F479 HydrophobicContact CE1-CE2 3.81Å; F407-F479 AromaticContact CE1-CZ 3.47Å; F407-F479 HydrophobicContact CE1-CZ 3.47Å; F407-F479 VanDerWaalsContact CE1-CZ 3.47Å; V410-F479 HydrophobicContact CG2-CD1 3.83Å; V410-F479 HydrophobicContact CG2-CE1 3.69Å; F450-F479 HydrophobicContact CE1-CE1 4.12Å; F450-F479 AromaticContact CE1-CZ 3.85Å; F450-F479 HydrophobicContact CE1-CZ 3.85Å; F450-F479 HydrophobicContact CZ-CE1 4.04Å; F450-F479 AromaticContact CZ-CZ 3.98Å; F450-F479 HydrophobicContact CZ-CZ 3.98Å; L475-F479 HydrophobicContact CB-CD2 4.06Å; L475-F479 HydrophobicContact CB-CE2 3.99Å; L475-F479 HydrophobicContact CD2-CE2 3.87Å; L475-F479 HydrophobicContact CD2-CZ 4.47Å; L475-F479 HydrophobicContact CG-CE2 4.36Å; L475-F479 WeakPolarHBondContact O-CD2 3.4Å; L475-F479 PolarHBondContact O-N 3.12Å; F477-F479 PolarHBondContact O-N 3.5Å; F479-Y481 VanDerWaalsContact C-N 3.28Å; F479-Y481 PolarHBondContact O-N 3.22Å; F479-F482 PolarHBondContact O-N 3.31Å; F479-F482 VanDerWaalsContact O-N 3.16Å; F479-D483 PolarHBondContact O-N 2.86Å
480	T	98.6	Very high	98	Very high	36 Å²	36	24 Å²	24	22%	0.221	13%	0.128	C	C	.	.	H	α-helix	trans	-60.3	-36.8	172	-68.7	0	0	0	0	112.3	K476 F477 D483 K484 S592 W603	K476-T480 WeakPolarHBondContact O-CB 3.1Å; K476-T480 PolarHBondContact O-N 3.01Å; K476-T480 VanDerWaalsContact O-N 3.14Å; K476-T480 PolarHBondContact O-OG1 3.37Å; K476-T480 VanDerWaalsContact O-OG1 3.09Å; F477-T480 PolarHBondContact O-N 3.29Å; T480-D483 PolarHBondContact O-N 2.84Å; T480-K484 PolarHBondContact O-N 2.74Å; T480-K484 VanDerWaalsContact O-N 3.08Å; T480-S592 WeakPolarHBondContact CG2-OG 3.38Å; T480-W603 HydrophobicContact CG2-CZ2 4.03Å; T480-W603 WeakPolarHBondContact OG1-CZ2 3.34Å
481	Y	98.9	Very high	97.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-50.7	171.1	167.8	-113.5	0	0	0	112.2	A443 V446 F477 L478 F479 D483 K484 M485 P565 E566 F591	A443-Y481 WeakPolarHBondContact CA-OH 3.33Å; A443-Y481 HydrophobicContact CB-CE1 4.3Å; A443-Y481 WeakPolarHBondContact CB-OH 3.14Å; A443-Y481 PolarHBondContact N-OH 3.3Å; V446-Y481 HydrophobicContact CB-CE1 4.2Å; V446-Y481 HydrophobicContact CG1-CE1 4.31Å; F477-Y481 PolarHBondContact O-N 3.4Å; L478-Y481 WeakPolarHBondContact O-CB 3.34Å; L478-Y481 PolarHBondContact O-N 2.95Å; F479-Y481 VanDerWaalsContact C-N 3.28Å; F479-Y481 PolarHBondContact O-N 3.22Å; Y481-D483 VanDerWaalsContact C-N 3.28Å; Y481-D483 PolarHBondContact O-N 2.72Å; Y481-K484 PolarHBondContact O-N 3.34Å; Y481-M485 HydrophobicContact CD2-CG 3.79Å; Y481-M485 HydrophobicContact CE1-CG 4.44Å; Y481-M485 HydrophobicContact CE2-CG 3.47Å; Y481-M485 VanDerWaalsContact CE2-CG 3.47Å; Y481-M485 HydrophobicContact CE2-SD 4.03Å; Y481-M485 HydrophobicContact CG-CG 4.42Å; Y481-M485 WeakPolarHBondContact O-CB 3.22Å; Y481-M485 VanDerWaalsContact O-CG 3.27Å; Y481-M485 WeakPolarHBondContact O-CG 3.43Å; Y481-M485 PolarHBondContact O-N 2.89Å; Y481-P565 HydrophobicContact CD1-CB 3.81Å; Y481-P565 HydrophobicContact CD1-CG 4.23Å; Y481-P565 HydrophobicContact CD2-CB 4.27Å; Y481-P565 HydrophobicContact CD2-CG 4.26Å; Y481-P565 HydrophobicContact CE1-CB 4.05Å; Y481-P565 HydrophobicContact CE2-CB 4.49Å; Y481-P565 HydrophobicContact CG-CB 3.91Å; Y481-P565 HydrophobicContact CG-CG 3.87Å; Y481-E566 HydrophobicContact CE2-CG 3.81Å; Y481-E566 WeakPolarHBondContact OH-CG 3.45Å; Y481-F591 HydrophobicContact CD2-CB 4.36Å; Y481-F591 AromaticContact CD2-CD1 3.69Å; Y481-F591 HydrophobicContact CD2-CD1 3.69Å; Y481-F591 AromaticContact CD2-CD2 3.53Å; Y481-F591 HydrophobicContact CD2-CD2 3.53Å; Y481-F591 AromaticContact CD2-CE1 3.74Å; Y481-F591 HydrophobicContact CD2-CE1 3.74Å; Y481-F591 AromaticContact CD2-CE2 3.59Å; Y481-F591 HydrophobicContact CD2-CE2 3.59Å; Y481-F591 AromaticContact CD2-CG 3.59Å; Y481-F591 HydrophobicContact CD2-CG 3.59Å; Y481-F591 AromaticContact CD2-CZ 3.69Å; Y481-F591 HydrophobicContact CD2-CZ 3.69Å; Y481-F591 HydrophobicContact CE2-CD1 4.37Å; Y481-F591 AromaticContact CE2-CD2 3.94Å; Y481-F591 HydrophobicContact CE2-CD2 3.94Å; Y481-F591 AromaticContact CE2-CE1 3.97Å; Y481-F591 HydrophobicContact CE2-CE1 3.97Å; Y481-F591 AromaticContact CE2-CE2 3.5Å; Y481-F591 HydrophobicContact CE2-CE2 3.5Å; Y481-F591 HydrophobicContact CE2-CG 4.36Å; Y481-F591 AromaticContact CE2-CZ 3.52Å; Y481-F591 HydrophobicContact CE2-CZ 3.52Å
482	F	98.8	Very high	97.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68	-26.1	179.2	-66.4	-62.4	0	0	0	113.9	V410 I413 V446 A447 F450 L478 F479 S486	V410-F482 HydrophobicContact CG2-CB 3.96Å; V410-F482 HydrophobicContact CG2-CD2 3.59Å; V410-F482 HydrophobicContact CG2-CE2 4.31Å; V410-F482 HydrophobicContact CG2-CG 3.79Å; I413-F482 HydrophobicContact CD1-CB 4.18Å; I413-F482 HydrophobicContact CD1-CD1 3.84Å; I413-F482 HydrophobicContact CD1-CG 4.5Å; I413-F482 WeakPolarHBondContact CD1-O 3.39Å; I413-F482 HydrophobicContact CG2-CD1 4.26Å; I413-F482 HydrophobicContact CG2-CE1 4.37Å; V446-F482 HydrophobicContact CB-CZ 4.18Å; V446-F482 HydrophobicContact CG1-CZ 3.91Å; A447-F482 HydrophobicContact CB-CD1 4.34Å; A447-F482 HydrophobicContact CB-CE1 3.62Å; A447-F482 HydrophobicContact CB-CZ 4.08Å; F450-F482 HydrophobicContact CD2-CE2 4.29Å; F450-F482 HydrophobicContact CE2-CD2 4.44Å; F450-F482 AromaticContact CE2-CE2 3.71Å; F450-F482 HydrophobicContact CE2-CE2 3.71Å; F450-F482 HydrophobicContact CE2-CZ 4.44Å; L478-F482 WeakPolarHBondContact O-CD2 3.5Å; L478-F482 PolarHBondContact O-N 2.79Å; L478-F482 VanDerWaalsContact O-N 3.17Å; F479-F482 PolarHBondContact O-N 3.31Å; F479-F482 VanDerWaalsContact O-N 3.16Å; F482-S486 VanDerWaalsContact O-CB 3.22Å; F482-S486 WeakPolarHBondContact O-CB 3.26Å; F482-S486 PolarHBondContact O-N 2.72Å
483	D	98.3	Very high	97.6	Very high	14 Å²	14	30.1 Å²	30.1	8%	0.075	17%	0.167	C	C	.	.	H	α-helix	trans	-64.9	-55.9	171	-68.3	-23	0	0	0	110.8	K406 R409 F479 T480 Y481 M485 S486 M487	K406-D483 WeakPolarHBondContact CD-OD2 3.1Å; K406-D483 WeakPolarHBondContact CG-OD1 3.36Å; K406-D483 IonicContact NZ-OD2 3.25Å; K406-D483 PolarHBondContact NZ-OD2 2.83Å; R409-D483 WeakPolarHBondContact CD-OD1 3.21Å; R409-D483 IonicContact CZ-OD1 2.81Å; R409-D483 IonicContact NE-OD1 3.44Å; R409-D483 IonicContact NH1-OD1 2.97Å; R409-D483 PolarHBondContact NH1-OD1 2.91Å; R409-D483 IonicContact NH1-OD2 3.91Å; F479-D483 PolarHBondContact O-N 2.86Å; T480-D483 PolarHBondContact O-N 2.84Å; Y481-D483 VanDerWaalsContact C-N 3.28Å; Y481-D483 PolarHBondContact O-N 2.72Å; D483-M485 VanDerWaalsContact C-N 3.3Å; D483-M485 PolarHBondContact O-N 3.38Å; D483-S486 PolarHBondContact O-N 2.7Å; D483-M487 WeakPolarHBondContact O-CB 3.44Å; D483-M487 VanDerWaalsContact O-CG 3.3Å; D483-M487 WeakPolarHBondContact O-CG 3.47Å; D483-M487 PolarHBondContact O-N 2.74Å
484	K	98.3	Very high	97.7	Very high	67 Å²	67	29.6 Å²	29.6	29%	0.291	17%	0.165	S	C	.	.	H	α-helix	trans	-56.4	-46	176	-177.4	60	173	177.3	0	111	T480 Y481 S486 M487 D488 F591	T480-K484 PolarHBondContact O-N 2.74Å; T480-K484 VanDerWaalsContact O-N 3.08Å; Y481-K484 PolarHBondContact O-N 3.34Å; K484-S486 VanDerWaalsContact C-N 3.27Å; K484-S486 PolarHBondContact O-N 2.91Å; K484-M487 PolarHBondContact O-N 2.73Å; K484-D488 HydrophobicContact CD-CB 4.38Å; K484-D488 VanDerWaalsContact CD-O 3.27Å; K484-D488 WeakPolarHBondContact CD-O 3.39Å; K484-D488 WeakPolarHBondContact CE-O 3.37Å; K484-D488 PolarHBondContact NZ-O 2.71Å; K484-D488 IonicContact NZ-OD2 3.69Å; K484-D488 PolarHBondContact NZ-OD2 3.43Å; K484-D488 CarbonylContact O-C 3.06Å; K484-D488 PolarHBondContact O-N 2.86Å; K484-F591 HydrophobicContact CB-CD1 3.92Å; K484-F591 HydrophobicContact CB-CE1 4.28Å; K484-F591 HydrophobicContact CG-CD1 3.77Å; K484-F591 HydrophobicContact CG-CE1 3.86Å
485	M	98.6	Very high	97.7	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.059	17%	0.165	C	C	.	.	H	α-helix	trans	-67.5	-20	178.8	-67.2	-52.8	-57.7	0	0	114.6	I413 H439 K440 A443 Y481 D483 P489 P490 F591	I413-M485 HydrophobicContact CD1-CB 3.89Å; H439-M485 HydrophobicContact CB-CE 4.05Å; H439-M485 WeakPolarHBondContact O-CE 3.48Å; K440-M485 HydrophobicContact CG-CE 4.14Å; A443-M485 HydrophobicContact CB-CB 4.05Å; A443-M485 HydrophobicContact CB-CE 3.79Å; A443-M485 HydrophobicContact CB-CG 3.85Å; Y481-M485 HydrophobicContact CD2-CG 3.79Å; Y481-M485 HydrophobicContact CE1-CG 4.44Å; Y481-M485 HydrophobicContact CE2-CG 3.47Å; Y481-M485 VanDerWaalsContact CE2-CG 3.47Å; Y481-M485 HydrophobicContact CE2-SD 4.03Å; Y481-M485 HydrophobicContact CG-CG 4.42Å; Y481-M485 WeakPolarHBondContact O-CB 3.22Å; Y481-M485 VanDerWaalsContact O-CG 3.27Å; Y481-M485 WeakPolarHBondContact O-CG 3.43Å; Y481-M485 PolarHBondContact O-N 2.89Å; D483-M485 VanDerWaalsContact C-N 3.3Å; D483-M485 PolarHBondContact O-N 3.38Å; M485-P489 HydrophobicContact CE-CB 3.57Å; M485-P489 WeakPolarHBondContact O-CB 3.32Å; M485-P489 HydrophobicContact SD-CB 4.14Å; M485-P490 HydrophobicContact SD-CG 4.32Å; M485-F591 HydrophobicContact CG-CE1 4.17Å; M485-F591 HydrophobicContact CG-CZ 4.47Å; M485-F591 HydrophobicContact SD-CE1 3.65Å; M485-F591 HydrophobicContact SD-CZ 3.72Å
486	S	97.8	Very high	97.7	Very high	44 Å²	44	29.6 Å²	29.6	31%	0.308	17%	0.165	S	C	.	.	H	α-helix	trans	-94.9	-20.4	175.9	-171.6	0	0	0	0	113.8	F482 D483 K484	F482-S486 VanDerWaalsContact O-CB 3.22Å; F482-S486 WeakPolarHBondContact O-CB 3.26Å; F482-S486 PolarHBondContact O-N 2.72Å; D483-S486 PolarHBondContact O-N 2.7Å; K484-S486 VanDerWaalsContact C-N 3.27Å; K484-S486 PolarHBondContact O-N 2.91Å
487	M	96.2	Very high	97.6	Very high	132 Å²	132	29.4 Å²	29.4	65%	0.65	16%	0.164	S	C	*	.	H	α-helix	trans	-109.1	-44.1	-172.5	-61.4	174.8	86.9	0	0	112.2	D483 K484	D483-M487 WeakPolarHBondContact O-CB 3.44Å; D483-M487 VanDerWaalsContact O-CG 3.3Å; D483-M487 WeakPolarHBondContact O-CG 3.47Å; D483-M487 PolarHBondContact O-N 2.74Å; K484-M487 PolarHBondContact O-N 2.73Å
488	D	96.6	Very high	97.5	Very high	99 Å²	99	29.9 Å²	29.9	53%	0.529	17%	0.166	S	C	.	.	S	Bend	trans	-151	70.1	-179	179.3	37.1	0	0	0	110.3	K484	K484-D488 HydrophobicContact CD-CB 4.38Å; K484-D488 VanDerWaalsContact CD-O 3.27Å; K484-D488 WeakPolarHBondContact CD-O 3.39Å; K484-D488 WeakPolarHBondContact CE-O 3.37Å; K484-D488 PolarHBondContact NZ-O 2.71Å; K484-D488 IonicContact NZ-OD2 3.69Å; K484-D488 PolarHBondContact NZ-OD2 3.43Å; K484-D488 CarbonylContact O-C 3.06Å; K484-D488 PolarHBondContact O-N 2.86Å
489	P	96.6	Very high	97.2	Very high	34 Å²	34	31 Å²	31	22%	0.221	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-70.6	129.2	-178.1	26.2	-34.3	0	0	0	111.8	K440 M485 D491	K440-P489 HydrophobicContact CD-CG 4.49Å; K440-P489 HydrophobicContact CG-CB 4.04Å; K440-P489 HydrophobicContact CG-CG 4.43Å; M485-P489 HydrophobicContact CE-CB 3.57Å; M485-P489 WeakPolarHBondContact O-CB 3.32Å; M485-P489 HydrophobicContact SD-CB 4.14Å; P489-D491 PolarHBondContact O-N 2.82Å
490	P	95.4	Very high	96.8	Very high	14 Å²	14	34.8 Å²	34.8	9%	0.091	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-59.1	139.6	176.7	25.2	-34	0	0	0	111.7	H439 M485 Y589 F591	H439-P490 HydrophobicContact CB-CG 4.08Å; H439-P490 WeakPolarHBondContact CB-O 3.26Å; H439-P490 PolarHBondContact CD2-O 3.08Å; M485-P490 HydrophobicContact SD-CG 4.32Å; P490-Y589 HydrophobicContact CB-CD2 3.72Å; P490-Y589 HydrophobicContact CB-CE2 3.69Å; P490-Y589 HydrophobicContact CB-CG 4.27Å; P490-Y589 HydrophobicContact CG-CD1 4.15Å; P490-Y589 HydrophobicContact CG-CD2 3.87Å; P490-Y589 HydrophobicContact CG-CE1 4.42Å; P490-Y589 HydrophobicContact CG-CE2 4.16Å; P490-Y589 HydrophobicContact CG-CG 3.88Å; P490-F591 HydrophobicContact CG-CE1 4.31Å; P490-F591 HydrophobicContact CG-CZ 4.13Å
491	D	92.6	Very high	96	Very high	116 Å²	116	35 Å²	35	62%	0.62	19%	0.188	S	C	*	.	P	Polyproline II helix	trans	-80.4	161.6	167.1	-75.6	-40.9	0	0	0	111.3	H439 K440 P489 R619	H439-D491 PolarHBondContact CD2-O 2.95Å; H439-D491 VanDerWaalsContact CD2-O 3.28Å; H439-D491 PolarHBondContact NE2-O 2.84Å; K440-D491 IonicContact NZ-OD1 2.69Å; K440-D491 PolarHBondContact NZ-OD1 2.83Å; P489-D491 PolarHBondContact O-N 2.82Å; D491-R619 PolarHBondContact O-NH1 2.85Å; D491-R619 PolarHBondContact O-NH2 3.15Å
492	G	95.3	Very high	94.9	Very high	27 Å²	27	40.1 Å²	40.1	28%	0.278	22%	0.216	S	C	.	.	S	Bend	trans	107.8	-161.1	-173.8	0	0	0	0	0	113.6	S438 H439 G623	S438-G492 WeakPolarHBondContact CA-O 3.49Å; H439-G492 VanDerWaalsContact CD2-C 3.44Å; G492-G623 VanDerWaalsContact CA-O 3.23Å; G492-G623 WeakPolarHBondContact CA-O 3.33Å
493	A	97.3	Very high	93.4	Very high	2 Å²	2	47.4 Å²	47.4	2%	0.017	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	160.9	-168.6	0	0	0	0	0	113.7	T436 L437 G623 R624	T436-A493 HydrophobicContact CG2-CB 4.08Å; L437-A493 CarbonylContact O-C 3.52Å; L437-A493 WeakPolarHBondContact O-CA 3.24Å; L437-A493 VanDerWaalsContact O-CB 3.3Å; L437-A493 WeakPolarHBondContact O-CB 3.21Å; A493-G623 PolarHBondContact N-O 3.31Å; A493-R624 HydrophobicContact CB-CG 4.1Å; A493-R624 WeakPolarHBondContact O-CA 3.37Å; A493-R624 WeakPolarHBondContact O-CG 3.4Å
494	V	98.7	Very high	92	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.7	172.1	-170.5	0	0	0	0	108.4	T436 L437 F496 E566 I585 V586 A588	T436-V494 WeakPolarHBondContact CA-O 3.39Å; L437-V494 PolarHBondContact N-O 3.04Å; L437-V494 PolarHBondContact O-N 3.35Å; V494-F496 HydrophobicContact CB-CE2 4.09Å; V494-F496 HydrophobicContact CB-CZ 4.29Å; V494-F496 HydrophobicContact CG1-CE1 4.3Å; V494-F496 HydrophobicContact CG1-CE2 3.75Å; V494-F496 HydrophobicContact CG1-CZ 3.61Å; V494-E566 HydrophobicContact CG2-CB 4.43Å; V494-E566 WeakPolarHBondContact CG2-OE2 3.28Å; V494-I585 HydrophobicContact CG1-CG2 3.81Å; V494-V586 CarbonylContact C-O 3.39Å; V494-V586 WeakPolarHBondContact CA-O 3.12Å; V494-A588 HydrophobicContact CG1-CB 4.21Å
495	S	98.7	Very high	90.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.4	172.6	-68.7	0	0	0	0	110.8	A435 T436 I585 V586 R624	A435-S495 WeakPolarHBondContact O-CA 3.28Å; T436-S495 WeakPolarHBondContact CG2-OG 3.28Å; T436-S495 PolarHBondContact OG1-OG 2.7Å; S495-I585 CarbonylContact O-C 3.52Å; S495-I585 WeakPolarHBondContact O-CA 3.45Å; S495-V586 PolarHBondContact N-O 3.2Å; S495-V586 PolarHBondContact O-N 3.31Å; S495-R624 WeakPolarHBondContact OG-CD 3.49Å; S495-R624 PolarHBondContact OG-NH1 3.17Å
496	F	98.8	Very high	89.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.8	170.3	-54.6	-93.5	0	0	0	107.8	S434 A435 L437 V494 E566 V569 L573 S584 I585	S434-F496 CarbonylContact C-O 3.59Å; S434-F496 WeakPolarHBondContact CA-O 3.35Å; S434-F496 WeakPolarHBondContact CB-O 3.46Å; A435-F496 PolarHBondContact N-O 2.88Å; A435-F496 PolarHBondContact O-N 3.33Å; L437-F496 HydrophobicContact CD1-CD2 4Å; L437-F496 HydrophobicContact CD1-CE2 4.04Å; V494-F496 HydrophobicContact CB-CE2 4.09Å; V494-F496 HydrophobicContact CB-CZ 4.29Å; V494-F496 HydrophobicContact CG1-CE1 4.3Å; V494-F496 HydrophobicContact CG1-CE2 3.75Å; V494-F496 HydrophobicContact CG1-CZ 3.61Å; F496-E566 WeakPolarHBondContact CZ-O 3.38Å; F496-V569 HydrophobicContact CD2-CG1 4.48Å; F496-V569 HydrophobicContact CE1-CB 4.14Å; F496-V569 HydrophobicContact CE2-CB 4.11Å; F496-V569 HydrophobicContact CE2-CG1 3.9Å; F496-V569 HydrophobicContact CZ-CB 3.65Å; F496-V569 HydrophobicContact CZ-CG1 3.97Å; F496-L573 HydrophobicContact CB-CD1 4.17Å; F496-L573 HydrophobicContact CD2-CD1 3.9Å; F496-L573 HydrophobicContact CG-CD1 3.98Å; F496-S584 CarbonylContact C-O 3.51Å; F496-I585 HydrophobicContact CD1-CB 4.48Å; F496-I585 HydrophobicContact CD1-CD1 4.06Å; F496-I585 HydrophobicContact CD1-CG1 3.92Å; F496-I585 HydrophobicContact CD1-CG2 3.94Å; F496-I585 HydrophobicContact CE1-CD1 4.08Å; F496-I585 HydrophobicContact CE1-CG1 4.29Å; F496-I585 HydrophobicContact CE1-CG2 3.72Å; F496-I585 HydrophobicContact CZ-CG2 4.36Å
497	R	98.1	Very high	88.5	Confident	20 Å²	20	57.7 Å²	57.7	8%	0.075	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	129	-178.7	-177.6	177	76.7	-83.8	-0.1	110.8	Q288 E433 T499 S584 E628 S667	Q288-R497 PolarHBondContact O-NH1 3.15Å; E433-R497 CarbonylContact O-C 3.58Å; E433-R497 VanDerWaalsContact O-CA 3.29Å; E433-R497 WeakPolarHBondContact O-CA 3.31Å; R497-T499 PolarHBondContact O-N 2.86Å; R497-S584 VanDerWaalsContact CZ-CB 3.45Å; R497-S584 VanDerWaalsContact CZ-OG 3.31Å; R497-S584 PolarHBondContact N-O 3.35Å; R497-S584 VanDerWaalsContact NH1-CB 3.29Å; R497-S584 PolarHBondContact NH1-OG 2.79Å; R497-S584 VanDerWaalsContact NH2-CB 3.29Å; R497-S584 PolarHBondContact NH2-OG 3.44Å; R497-S584 VanDerWaalsContact NH2-OG 3.13Å; R497-S584 PolarHBondContact O-N 2.75Å; R497-E628 IonicContact NH2-OE1 2.7Å; R497-E628 PolarHBondContact NH2-OE1 3.38Å; R497-E628 VanDerWaalsContact NH2-OE1 3.14Å; R497-S667 PolarHBondContact NH2-O 3.35Å
498	L	96.6	Very high	87.9	Confident	11 Å²	11	54.9 Å²	54.9	6%	0.058	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	96.7	174.2	-178	61.9	0	0	0	107.5	L428 E433 K500 E581 I583	L428-L498 HydrophobicContact CB-CB 3.95Å; L428-L498 HydrophobicContact CB-CD2 4.24Å; L428-L498 HydrophobicContact CD2-CB 3.65Å; L428-L498 HydrophobicContact CG-CB 4.43Å; L428-L498 WeakPolarHBondContact O-CD2 3.13Å; E433-L498 PolarHBondContact O-N 2.89Å; L498-K500 HydrophobicContact CG-CG 4.27Å; L498-K500 PolarHBondContact O-N 2.83Å; L498-E581 HydrophobicContact CD1-CB 4.01Å; L498-I583 HydrophobicContact CD1-CD1 4.43Å; L498-I583 HydrophobicContact CD1-CG1 3.64Å
499	T	92.5	Very high	87.1	Confident	22 Å²	22	56 Å²	56	14%	0.135	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	125.4	176.6	-54.1	0	0	0	0	108.1	R497 E581 A582 I663 S667	R497-T499 PolarHBondContact O-N 2.86Å; T499-E581 CarbonylContact O-C 3.51Å; T499-E581 VanDerWaalsContact O-CA 3.29Å; T499-E581 WeakPolarHBondContact O-CA 3.22Å; T499-A582 WeakPolarHBondContact CA-O 3.27Å; T499-A582 WeakPolarHBondContact CB-O 3.34Å; T499-A582 PolarHBondContact N-O 2.82Å; T499-A582 PolarHBondContact O-N 3.4Å; T499-I663 HydrophobicContact CG2-CG2 4.12Å; T499-S667 WeakPolarHBondContact OG1-CB 3.46Å
500	K	90.1	Very high	86.4	Confident	81 Å²	81	55 Å²	55	35%	0.352	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.8	178.2	-43.6	-163.9	-177.8	-150.9	0	109.1	G430 L498 E581	G430-K500 PolarHBondContact O-NZ 2.78Å; L498-K500 HydrophobicContact CG-CG 4.27Å; L498-K500 PolarHBondContact O-N 2.83Å; K500-E581 HydrophobicContact CB-CG 4.44Å; K500-E581 HydrophobicContact CD-CG 4.3Å; K500-E581 WeakPolarHBondContact CD-OE1 3.35Å; K500-E581 WeakPolarHBondContact CE-OE1 3.2Å; K500-E581 HydrophobicContact CG-CG 4.09Å; K500-E581 IonicContact NZ-OE1 3.72Å; K500-E581 PolarHBondContact NZ-OE1 3.18Å
501	M	82.8	Confident	85.8	Confident	40 Å²	40	56.7 Å²	56.7	20%	0.197	29%	0.291	C	S	.	.			trans	-130	130.1	165.5	-167.6	162.7	-73.8	0	0	109.3	F506 L580 I663 M666	M501-F506 HydrophobicContact CG-CB 4.22Å; M501-F506 HydrophobicContact CG-CD2 4.48Å; M501-F506 HydrophobicContact SD-CB 3.8Å; M501-F506 HydrophobicContact SD-CD2 3.4Å; M501-F506 WeakPolarHBondContact SD-CD2 3.48Å; M501-F506 HydrophobicContact SD-CE2 4.26Å; M501-F506 HydrophobicContact SD-CG 3.92Å; M501-L580 PolarHBondContact N-O 2.79Å; M501-L580 VanDerWaalsContact N-O 3.12Å; M501-L580 WeakPolarHBondContact O-CB 3.39Å; M501-I663 HydrophobicContact CB-CD1 3.73Å; M501-I663 HydrophobicContact CB-CG1 3.77Å; M501-I663 HydrophobicContact SD-CG1 4.11Å; M501-M666 HydrophobicContact CE-CE 3.87Å; M501-M666 HydrophobicContact CE-SD 4.21Å
502	D	74.4	Confident	85	Confident	107 Å²	107	56.1 Å²	56.1	57%	0.572	29%	0.288	S	S	*	.			trans	-70.9	150.1	173.6	-151.5	-21.3	0	0	0	110.2	D504 T505 F506	D502-D504 PolarHBondContact O-N 2.72Å; D502-T505 PolarHBondContact O-N 3.37Å; D502-T505 VanDerWaalsContact O-N 3.12Å; D502-F506 PolarHBondContact O-N 3.16Å
503	K	67.9	Low	83.4	Confident	153 Å²	153	61.4 Å²	61.4	67%	0.665	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-42.5	-178.8	-74.5	-179.2	176	-177.9	0	111.5	T505 L580	K503-T505 VanDerWaalsContact C-N 3.33Å; K503-L580 HydrophobicContact CB-CD1 4.46Å; K503-L580 HydrophobicContact CG-CD1 3.58Å
504	D	68.4	Low	81.9	Confident	153 Å²	153	70.7 Å²	70.7	82%	0.818	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-7.4	-173.5	-52.4	-25.7	0	0	0	112.2	D502	D502-D504 PolarHBondContact O-N 2.72Å
505	T	68.6	Low	80.3	Confident	100 Å²	100	75.8 Å²	75.8	61%	0.613	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-10.4	178.5	-53.6	0	0	0	0	112.9	D502 K503 N507	D502-T505 PolarHBondContact O-N 3.37Å; D502-T505 VanDerWaalsContact O-N 3.12Å; K503-T505 VanDerWaalsContact C-N 3.33Å; T505-N507 PolarHBondContact O-N 3.07Å
506	F	78.4	Confident	79.5	Confident	13 Å²	13	79 Å²	79	6%	0.057	38%	0.382	C	S	.	.	S	Bend	trans	-68.9	99.8	170.9	-170.6	-73.6	0	0	0	109.2	M501 D502 E508 W510 M658 K659 I663	M501-F506 HydrophobicContact CG-CB 4.22Å; M501-F506 HydrophobicContact CG-CD2 4.48Å; M501-F506 HydrophobicContact SD-CB 3.8Å; M501-F506 HydrophobicContact SD-CD2 3.4Å; M501-F506 WeakPolarHBondContact SD-CD2 3.48Å; M501-F506 HydrophobicContact SD-CE2 4.26Å; M501-F506 HydrophobicContact SD-CG 3.92Å; D502-F506 PolarHBondContact O-N 3.16Å; F506-E508 HydrophobicContact CD1-CG 3.7Å; F506-E508 HydrophobicContact CE1-CG 4.1Å; F506-E508 PolarHBondContact O-N 3.14Å; F506-W510 AromaticContact CE1-CZ2 3.97Å; F506-W510 HydrophobicContact CE1-CZ2 3.97Å; F506-W510 AromaticContact CE1-NE1 3.69Å; F506-W510 HydrophobicContact CZ-CZ2 4.33Å; F506-M658 HydrophobicContact CZ-CE 4.44Å; F506-M658 HydrophobicContact CZ-SD 3.99Å; F506-K659 HydrophobicContact CD1-CD 4.19Å; F506-K659 HydrophobicContact CD2-CB 4.43Å; F506-K659 HydrophobicContact CD2-CD 3.9Å; F506-K659 HydrophobicContact CD2-CG 4.06Å; F506-K659 HydrophobicContact CE1-CD 4.35Å; F506-K659 HydrophobicContact CE1-CG 4.27Å; F506-K659 HydrophobicContact CE2-CB 4.04Å; F506-K659 HydrophobicContact CE2-CD 4.08Å; F506-K659 HydrophobicContact CE2-CG 3.72Å; F506-K659 HydrophobicContact CG-CD 3.99Å; F506-K659 HydrophobicContact CZ-CD 4.31Å; F506-K659 HydrophobicContact CZ-CG 3.84Å; F506-I663 HydrophobicContact CD2-CG1 4.45Å
507	N	74.8	Confident	79	Confident	87 Å²	87	83.3 Å²	83.3	47%	0.465	41%	0.412	S	S	.	.			trans	-62.5	127.5	176.8	-174.2	-10.1	0	0	0	110.3	T505 E509 W510	T505-N507 PolarHBondContact O-N 3.07Å; N507-E509 PolarHBondContact ND2-OE2 3.03Å; N507-E509 VanDerWaalsContact OD1-CB 3.24Å; N507-E509 WeakPolarHBondContact OD1-CB 3.45Å; N507-E509 WeakPolarHBondContact OD1-CG 3.44Å; N507-E509 PolarHBondContact OD1-N 2.84Å; N507-E509 PolarHBondContact OD1-OE2 2.95Å; N507-W510 PolarHBondContact O-NE1 3.12Å
508	E	82.4	Confident	78.9	Confident	74 Å²	74	83 Å²	83	35%	0.346	41%	0.412	S	S	.	.			trans	-111.7	4.3	179	-61.3	-157.9	145.3	0	0	114.3	F506 W510 K511 K659	F506-E508 HydrophobicContact CD1-CG 3.7Å; F506-E508 HydrophobicContact CE1-CG 4.1Å; F506-E508 PolarHBondContact O-N 3.14Å; E508-W510 PolarHBondContact O-N 2.8Å; E508-W510 VanDerWaalsContact O-N 3.11Å; E508-K511 HydrophobicContact CB-CD 4.08Å; E508-K511 VanDerWaalsContact O-CB 3.24Å; E508-K511 WeakPolarHBondContact O-CB 3.32Å; E508-K511 VanDerWaalsContact O-CG 3.32Å; E508-K511 WeakPolarHBondContact O-CG 3.29Å; E508-K511 PolarHBondContact O-N 3.01Å; E508-K511 IonicContact OE1-NZ 2.84Å; E508-K511 PolarHBondContact OE1-NZ 3.44Å; E508-K511 WeakPolarHBondContact OE2-CE 3.4Å; E508-K511 IonicContact OE2-NZ 2.94Å; E508-K511 PolarHBondContact OE2-NZ 3.49Å; E508-K659 WeakPolarHBondContact OE1-CE 3.46Å; E508-K659 IonicContact OE1-NZ 2.72Å; E508-K659 PolarHBondContact OE1-NZ 2.93Å
509	E	81	Confident	78.8	Confident	123 Å²	123	83.2 Å²	83.2	58%	0.575	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-52.8	-33	177.6	-70.9	168.2	156.8	0	0	112.6	N507 K511 D512 L515	N507-E509 PolarHBondContact ND2-OE2 3.03Å; N507-E509 VanDerWaalsContact OD1-CB 3.24Å; N507-E509 WeakPolarHBondContact OD1-CB 3.45Å; N507-E509 WeakPolarHBondContact OD1-CG 3.44Å; N507-E509 PolarHBondContact OD1-N 2.84Å; N507-E509 PolarHBondContact OD1-OE2 2.95Å; E509-K511 PolarHBondContact O-N 2.91Å; E509-D512 WeakPolarHBondContact O-CB 3.45Å; E509-D512 PolarHBondContact O-N 2.81Å; E509-L515 HydrophobicContact CB-CD1 4.27Å
510	W	82.4	Confident	79	Confident	13 Å²	13	87.7 Å²	87.7	5%	0.049	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-59.2	-13.3	175.7	61.5	-97	0	0	0	114.3	F506 N507 E508 D512 M658 I700 V704 L737 G738 F741	F506-W510 AromaticContact CE1-CZ2 3.97Å; F506-W510 HydrophobicContact CE1-CZ2 3.97Å; F506-W510 AromaticContact CE1-NE1 3.69Å; F506-W510 HydrophobicContact CZ-CZ2 4.33Å; N507-W510 PolarHBondContact O-NE1 3.12Å; E508-W510 PolarHBondContact O-N 2.8Å; E508-W510 VanDerWaalsContact O-N 3.11Å; W510-D512 VanDerWaalsContact C-N 3.28Å; W510-M658 HydrophobicContact CH2-CE 3.84Å; W510-M658 HydrophobicContact CH2-SD 3.79Å; W510-M658 HydrophobicContact CZ2-CE 3.81Å; W510-M658 HydrophobicContact CZ2-SD 3.7Å; W510-I700 HydrophobicContact CH2-CG2 3.93Å; W510-I700 HydrophobicContact CZ3-CG2 3.78Å; W510-V704 HydrophobicContact CD2-CG2 3.55Å; W510-V704 HydrophobicContact CE3-CG2 3.95Å; W510-V704 HydrophobicContact CG-CG2 3.92Å; W510-V704 HydrophobicContact CH2-CG2 4.32Å; W510-V704 HydrophobicContact CZ2-CG2 3.95Å; W510-V704 HydrophobicContact CZ3-CG2 4.31Å; W510-L737 HydrophobicContact CE3-CB 4.24Å; W510-G738 PolarHBondContact O-N 3.28Å; W510-F741 HydrophobicContact CH2-CB 4.41Å; W510-F741 HydrophobicContact CH2-CD2 4.1Å; W510-F741 HydrophobicContact CH2-CG 4.09Å; W510-F741 HydrophobicContact CZ3-CB 3.86Å; W510-F741 HydrophobicContact CZ3-CD2 4.4Å; W510-F741 AromaticContact CZ3-CG 4Å; W510-F741 HydrophobicContact CZ3-CG 4Å
511	K	82.7	Confident	79.4	Confident	49 Å²	49	85 Å²	85	21%	0.213	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-72.4	-19.4	171	-64.5	-178.9	-175.1	176.3	0	113	E508 E509 K513 G738 F741	E508-K511 HydrophobicContact CB-CD 4.08Å; E508-K511 VanDerWaalsContact O-CB 3.24Å; E508-K511 WeakPolarHBondContact O-CB 3.32Å; E508-K511 VanDerWaalsContact O-CG 3.32Å; E508-K511 WeakPolarHBondContact O-CG 3.29Å; E508-K511 PolarHBondContact O-N 3.01Å; E508-K511 IonicContact OE1-NZ 2.84Å; E508-K511 PolarHBondContact OE1-NZ 3.44Å; E508-K511 WeakPolarHBondContact OE2-CE 3.4Å; E508-K511 IonicContact OE2-NZ 2.94Å; E508-K511 PolarHBondContact OE2-NZ 3.49Å; E509-K511 PolarHBondContact O-N 2.91Å; K511-K513 PolarHBondContact O-N 2.78Å; K511-G738 WeakPolarHBondContact O-CA 3.37Å; K511-F741 HydrophobicContact CD-CD1 4Å; K511-F741 HydrophobicContact CD-CE1 3.73Å; K511-F741 HydrophobicContact CD-CZ 4.5Å; K511-F741 HydrophobicContact CG-CD1 3.99Å; K511-F741 HydrophobicContact CG-CE1 4.24Å
512	D	75.9	Confident	79.9	Confident	104 Å²	104	85.6 Å²	85.6	56%	0.556	43%	0.426	S	S	*	.	S	Bend	trans	-69	128.5	174.6	-81.9	-28.5	0	0	0	110.9	E509 W510 K514 L515	E509-D512 WeakPolarHBondContact O-CB 3.45Å; E509-D512 PolarHBondContact O-N 2.81Å; W510-D512 VanDerWaalsContact C-N 3.28Å; D512-K514 PolarHBondContact O-N 3.41Å; D512-L515 HydrophobicContact CB-CD1 4.02Å; D512-L515 HydrophobicContact CB-CG 4.12Å; D512-L515 PolarHBondContact O-N 3.12Å; D512-L515 VanDerWaalsContact O-N 3.13Å
513	K	60.7	Low	80.9	Confident	138 Å²	138	81.1 Å²	81.1	60%	0.6	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-5.6	-166.5	-62.7	-176.6	179.5	179.8	0	115.9	K511 T736 M739	K511-K513 PolarHBondContact O-N 2.78Å; K513-T736 WeakPolarHBondContact O-CG2 3.37Å; K513-T736 PolarHBondContact O-OG1 2.9Å; K513-M739 HydrophobicContact CB-CG 4.08Å; K513-M739 HydrophobicContact CD-CG 4.3Å; K513-M739 HydrophobicContact CG-CG 4Å
514	K	65.7	Low	82	Confident	196 Å²	196	74.3 Å²	74.3	85%	0.852	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-15.8	-176.9	-64.6	-174.9	178.4	-178.5	0	114.7	D512	D512-K514 PolarHBondContact O-N 3.41Å
515	L	66.1	Low	82.8	Confident	108 Å²	108	69.2 Å²	69.2	57%	0.565	35%	0.345	S	S	*	.	S	Bend	trans	-92.5	-14.1	-156.8	-64.1	-172.8	0	0	0	116.4	E509 D512	E509-L515 HydrophobicContact CB-CD1 4.27Å; D512-L515 HydrophobicContact CB-CD1 4.02Å; D512-L515 HydrophobicContact CB-CG 4.12Å; D512-L515 PolarHBondContact O-N 3.12Å; D512-L515 VanDerWaalsContact O-N 3.13Å
516	R	80.9	Confident	83.5	Confident	66 Å²	66	71 Å²	71	25%	0.249	35%	0.346	C	S	.	.			trans	-159.1	132.1	-176.9	-143.1	156.1	-179.2	-166.3	-4	115.2	G703 V704 D706 T736 L737	R516-G703 PolarHBondContact NE-O 3.14Å; R516-G703 PolarHBondContact NH1-O 2.99Å; R516-G703 PolarHBondContact NH2-O 3.39Å; R516-G703 VanDerWaalsContact NH2-O 3.17Å; R516-V704 PolarHBondContact NH1-O 2.94Å; R516-V704 PolarHBondContact NH2-O 3.4Å; R516-V704 VanDerWaalsContact NH2-O 3.1Å; R516-D706 IonicContact CZ-OD1 3.84Å; R516-D706 IonicContact NE-OD1 3.78Å; R516-D706 PolarHBondContact NE-OD1 3.22Å; R516-D706 VanDerWaalsContact NH2-CG 3.26Å; R516-D706 IonicContact NH2-OD1 2.75Å; R516-D706 PolarHBondContact NH2-OD1 2.98Å; R516-T736 CarbonylContact O-C 3.46Å; R516-T736 WeakPolarHBondContact O-CA 3.29Å; R516-T736 WeakPolarHBondContact O-CB 3.47Å; R516-L737 HydrophobicContact CB-CD1 3.84Å; R516-L737 HydrophobicContact CB-CG 4.22Å; R516-L737 HydrophobicContact CG-CD1 3.83Å; R516-L737 PolarHBondContact O-N 2.9Å
517	S	89.3	Confident	83.9	Confident	92 Å²	92	71.2 Å²	71.2	64%	0.643	35%	0.348	S	S	*	.	B	Isolated β-bridge	trans	-72.6	164.3	172.7	50.6	0	0	0	0	112.7	L737	S517-L737 WeakPolarHBondContact O-CG 3.29Å
518	L	94.6	Very high	84.7	Confident	14 Å²	14	69.4 Å²	69.4	7%	0.073	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-64.6	147.7	167.5	-55.4	-170.9	0	0	0	111.1	M730 K731 V735 L737 L740	L518-M730 HydrophobicContact CD1-CB 3.7Å; L518-M730 HydrophobicContact CD1-CE 4Å; L518-M730 HydrophobicContact CD1-SD 4.43Å; L518-K731 HydrophobicContact CD1-CG 4.47Å; L518-V735 WeakPolarHBondContact CG-O 3.21Å; L518-L737 HydrophobicContact CD2-CD2 3.85Å; L518-L740 HydrophobicContact CD1-CD2 4.49Å; L518-L740 HydrophobicContact CD2-CB 4.34Å; L518-L740 HydrophobicContact CD2-CD2 3.65Å
519	P	95.8	Very high	85.3	Confident	15 Å²	15	66 Å²	66	10%	0.097	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-67.5	172.3	177.4	30.4	-37.6	0	0	0	112.7	V521 V699 A702 K731	P519-V521 HydrophobicContact CG-CG2 4.15Å; P519-V699 HydrophobicContact CG-CG1 4.17Å; P519-V699 WeakPolarHBondContact CG-O 3.49Å; P519-A702 HydrophobicContact CG-CB 4.27Å; P519-K731 WeakPolarHBondContact O-CE 3.38Å; P519-K731 PolarHBondContact O-NZ 3.16Å
520	E	96.3	Very high	86	Confident	115 Å²	115	60.6 Å²	60.6	54%	0.537	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-65.2	137.5	157.8	-174.4	161	-149.4	0	0	109.6	P708 L709	E520-P708 HydrophobicContact CB-CB 4.08Å; E520-P708 HydrophobicContact CB-CG 4.27Å; E520-P708 WeakPolarHBondContact O-CA 3.36Å; E520-L709 PolarHBondContact O-N 3.26Å
521	V	97.3	Very high	86.4	Confident	26 Å²	26	60.9 Å²	60.9	16%	0.158	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	110.9	-179.7	-175.4	0	0	0	0	107.3	P519 F523 F695 V699 L709 I727	P519-V521 HydrophobicContact CG-CG2 4.15Å; V521-F523 HydrophobicContact CG1-CD2 4.14Å; V521-F523 HydrophobicContact CG1-CE2 3.9Å; V521-F695 HydrophobicContact CG1-CE2 4Å; V521-F695 HydrophobicContact CG1-CZ 4.13Å; V521-V699 HydrophobicContact CG2-CG1 4.44Å; V521-V699 HydrophobicContact CG2-CG2 4.18Å; V521-L709 WeakPolarHBondContact CA-O 3.33Å; V521-L709 HydrophobicContact CG1-CB 4.44Å; V521-L709 HydrophobicContact CG2-CB 4.3Å; V521-I727 HydrophobicContact CG2-CD1 4.23Å
522	E	94.8	Very high	86.8	Confident	51 Å²	51	58.7 Å²	58.7	24%	0.238	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	148.9	175.4	-170.6	165.3	-144.4	0	0	109.5	M268 F524 L709 F711	M268-E522 HydrophobicContact CE-CG 4.3Å; M268-E522 WeakPolarHBondContact CE-OE1 3.35Å; E522-F524 HydrophobicContact CB-CE2 3.88Å; E522-F524 HydrophobicContact CB-CZ 4.26Å; E522-F524 HydrophobicContact CG-CD2 4.46Å; E522-F524 HydrophobicContact CG-CE2 3.68Å; E522-F524 HydrophobicContact CG-CZ 3.73Å; E522-F524 VanDerWaalsContact OE2-CZ 3.31Å; E522-F524 WeakPolarHBondContact OE2-CZ 3.31Å; E522-L709 PolarHBondContact N-O 3.24Å; E522-F711 PolarHBondContact O-N 3.33Å
523	F	93.9	Very high	87.7	Confident	13 Å²	13	53.7 Å²	53.7	6%	0.057	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.6	-171	-99.1	-88.5	0	0	0	110.4	V521 W681 F695 F711 A720 C723 K724	V521-F523 HydrophobicContact CG1-CD2 4.14Å; V521-F523 HydrophobicContact CG1-CE2 3.9Å; F523-W681 HydrophobicContact CE1-CH2 4.46Å; F523-F695 HydrophobicContact CE2-CD2 4.4Å; F523-F695 AromaticContact CE2-CE2 3.49Å; F523-F695 HydrophobicContact CE2-CE2 3.49Å; F523-F695 VanDerWaalsContact CE2-CE2 3.49Å; F523-F695 AromaticContact CE2-CZ 3.66Å; F523-F695 HydrophobicContact CE2-CZ 3.66Å; F523-F695 AromaticContact CZ-CD2 3.82Å; F523-F695 HydrophobicContact CZ-CD2 3.82Å; F523-F695 AromaticContact CZ-CE2 3.35Å; F523-F695 HydrophobicContact CZ-CE2 3.35Å; F523-F695 AromaticContact CZ-CZ 3.81Å; F523-F695 HydrophobicContact CZ-CZ 3.81Å; F523-F711 WeakPolarHBondContact CA-O 3.39Å; F523-F711 HydrophobicContact CD1-CB 3.93Å; F523-F711 AromaticContact CD1-CD1 3.88Å; F523-F711 HydrophobicContact CD1-CD1 3.88Å; F523-F711 HydrophobicContact CD1-CG 4.25Å; F523-F711 HydrophobicContact CD2-CB 4.37Å; F523-F711 HydrophobicContact CE1-CB 3.88Å; F523-F711 AromaticContact CE1-CD1 3.28Å; F523-F711 HydrophobicContact CE1-CD1 3.28Å; F523-F711 AromaticContact CE1-CE1 3.99Å; F523-F711 HydrophobicContact CE1-CE1 3.99Å; F523-F711 AromaticContact CE1-CG 3.74Å; F523-F711 HydrophobicContact CE1-CG 3.74Å; F523-F711 HydrophobicContact CE2-CB 4.31Å; F523-F711 HydrophobicContact CG-CB 4.18Å; F523-F711 HydrophobicContact CZ-CB 4.06Å; F523-F711 AromaticContact CZ-CD1 3.85Å; F523-F711 HydrophobicContact CZ-CD1 3.85Å; F523-F711 HydrophobicContact CZ-CE1 4.47Å; F523-F711 AromaticContact CZ-CG 3.92Å; F523-F711 HydrophobicContact CZ-CG 3.92Å; F523-A720 HydrophobicContact CD1-CB 3.6Å; F523-A720 HydrophobicContact CE1-CB 3.99Å; F523-A720 HydrophobicContact CG-CB 4.28Å; F523-C723 HydrophobicContact CE1-CB 4.03Å; F523-C723 HydrophobicContact CE2-CB 3.62Å; F523-C723 HydrophobicContact CZ-CB 3.23Å; F523-K724 HydrophobicContact CB-CD 4.41Å; F523-K724 HydrophobicContact CB-CG 4.42Å; F523-K724 HydrophobicContact CD2-CG 4.01Å; F523-K724 HydrophobicContact CG-CG 4.39Å
524	F	91.4	Very high	89.3	Confident	11 Å²	11	47.1 Å²	47.1	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	113.1	-175	-58.7	-99.1	0	0	0	109.3	M268 E272 E522 M527 H710 F711 C712 S713	M268-F524 HydrophobicContact CE-CD1 4.1Å; M268-F524 HydrophobicContact CE-CE1 3.7Å; M268-F524 HydrophobicContact CE-CZ 4.31Å; M268-F524 HydrophobicContact CG-CE1 4.44Å; M268-F524 HydrophobicContact SD-CD1 4.43Å; M268-F524 HydrophobicContact SD-CE1 4.34Å; E272-F524 HydrophobicContact CG-CZ 4.47Å; E522-F524 HydrophobicContact CB-CE2 3.88Å; E522-F524 HydrophobicContact CB-CZ 4.26Å; E522-F524 HydrophobicContact CG-CD2 4.46Å; E522-F524 HydrophobicContact CG-CE2 3.68Å; E522-F524 HydrophobicContact CG-CZ 3.73Å; E522-F524 VanDerWaalsContact OE2-CZ 3.31Å; E522-F524 WeakPolarHBondContact OE2-CZ 3.31Å; F524-M527 HydrophobicContact CB-CB 3.66Å; F524-M527 HydrophobicContact CB-CE 3.92Å; F524-M527 HydrophobicContact CB-SD 4.39Å; F524-M527 HydrophobicContact CD1-CB 4.42Å; F524-M527 HydrophobicContact CD1-CE 3.88Å; F524-M527 HydrophobicContact CD1-SD 3.76Å; F524-M527 HydrophobicContact CD2-CE 3.77Å; F524-M527 HydrophobicContact CE1-CE 4.34Å; F524-M527 HydrophobicContact CE1-SD 4.21Å; F524-M527 HydrophobicContact CE2-CE 4.27Å; F524-M527 HydrophobicContact CG-CB 4.33Å; F524-M527 HydrophobicContact CG-CE 3.57Å; F524-M527 HydrophobicContact CG-SD 4.05Å; F524-H710 HydrophobicContact CD2-CB 4.21Å; F524-H710 HydrophobicContact CE2-CB 3.66Å; F524-H710 AromaticContact CE2-CG 3.62Å; F524-H710 AromaticContact CE2-ND1 3.48Å; F524-H710 WeakPolarHBondContact CE2-ND1 3.27Å; F524-H710 AromaticContact CZ-ND1 3.54Å; F524-F711 PolarHBondContact N-O 3.27Å; F524-C712 WeakPolarHBondContact O-CA 3.31Å; F524-S713 PolarHBondContact O-N 3.31Å
525	D	86.6	Confident	90.8	Very high	46 Å²	46	37.8 Å²	37.8	25%	0.246	19%	0.194	C	C	.	.	S	Bend	trans	-85.4	-22.3	-170.4	-62.4	-59.6	0	0	0	113.7	S713 G715 A720 K724	D525-S713 WeakPolarHBondContact CA-OG 3.49Å; D525-S713 WeakPolarHBondContact OD1-CB 3.43Å; D525-S713 PolarHBondContact OD1-OG 3.35Å; D525-G715 PolarHBondContact O-N 3.36Å; D525-A720 VanDerWaalsContact OD1-CB 3.25Å; D525-A720 WeakPolarHBondContact OD1-CB 3.38Å; D525-K724 IonicContact OD2-NZ 2.81Å; D525-K724 PolarHBondContact OD2-NZ 3.37Å
526	E	82.3	Confident	92.3	Very high	137 Å²	137	32.7 Å²	32.7	64%	0.64	17%	0.167	S	C	*	.	S	Bend	trans	-120.8	2	-178.2	-63.3	-174.3	-122.6	0	0	114.4	R265	R265-E526 VanDerWaalsContact CD-CD 3.42Å; R265-E526 WeakPolarHBondContact CD-OE1 3.39Å; R265-E526 WeakPolarHBondContact CD-OE2 3.4Å; R265-E526 IonicContact CZ-OE2 2.72Å; R265-E526 IonicContact NE-OE2 3.82Å; R265-E526 IonicContact NH1-OE2 3.43Å; R265-E526 PolarHBondContact NH1-OE2 2.99Å
527	M	86.8	Confident	93.1	Very high	18 Å²	18	29.6 Å²	29.6	9%	0.089	16%	0.155	C	C	.	.			trans	-95.6	136.1	-178.3	-169.7	-177.2	76.3	0	0	110.3	Y269 F524 D531 T532 V678 C712	Y269-M527 HydrophobicContact CD2-SD 3.63Å; Y269-M527 HydrophobicContact CE2-SD 4.37Å; Y269-M527 HydrophobicContact CG-SD 4.47Å; F524-M527 HydrophobicContact CB-CB 3.66Å; F524-M527 HydrophobicContact CB-CE 3.92Å; F524-M527 HydrophobicContact CB-SD 4.39Å; F524-M527 HydrophobicContact CD1-CB 4.42Å; F524-M527 HydrophobicContact CD1-CE 3.88Å; F524-M527 HydrophobicContact CD1-SD 3.76Å; F524-M527 HydrophobicContact CD2-CE 3.77Å; F524-M527 HydrophobicContact CE1-CE 4.34Å; F524-M527 HydrophobicContact CE1-SD 4.21Å; F524-M527 HydrophobicContact CE2-CE 4.27Å; F524-M527 HydrophobicContact CG-CB 4.33Å; F524-M527 HydrophobicContact CG-CE 3.57Å; F524-M527 HydrophobicContact CG-SD 4.05Å; M527-D531 HydrophobicContact CG-CB 4.1Å; M527-T532 HydrophobicContact CE-CG2 3.64Å; M527-T532 HydrophobicContact CG-CG2 4.42Å; M527-T532 HydrophobicContact SD-CG2 3.79Å; M527-V678 HydrophobicContact CE-CG1 4.18Å; M527-C712 WeakPolarHBondContact O-CB 3.35Å; M527-C712 PolarHBondContact O-SG 2.87Å
528	L	92.1	Very high	93.6	Very high	49 Å²	49	25.2 Å²	25.2	26%	0.257	13%	0.125	S	C	.	.			trans	-89	165	171.7	-56.2	177.1	0	0	0	111.1	E530 D531 F714	L528-E530 WeakPolarHBondContact CB-OE1 3.27Å; L528-E530 WeakPolarHBondContact CD1-OE1 3.37Å; L528-D531 PolarHBondContact N-OD2 3.13Å; L528-F714 HydrophobicContact CD2-CD1 3.97Å; L528-F714 HydrophobicContact CD2-CE1 4.12Å
529	I	95.8	Very high	93.8	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.015	12%	0.121	C	C	.	.	S	Bend	trans	-68.2	-42.3	-177.5	-67.1	175.1	0	0	0	109.6	D531 T532 Q537 F540 V678 C712 F714	I529-D531 PolarHBondContact O-N 3.08Å; I529-T532 WeakPolarHBondContact O-CB 3.35Å; I529-T532 WeakPolarHBondContact O-CG2 3.38Å; I529-T532 PolarHBondContact O-N 2.77Å; I529-T532 PolarHBondContact O-OG1 3.18Å; I529-Q537 HydrophobicContact CG2-CB 3.61Å; I529-Q537 HydrophobicContact CG2-CG 3.85Å; I529-Q537 PolarHBondContact O-NE2 3.32Å; I529-F540 HydrophobicContact CD1-CE1 3.97Å; I529-F540 HydrophobicContact CD1-CE2 4.45Å; I529-F540 HydrophobicContact CD1-CZ 3.67Å; I529-V678 HydrophobicContact CB-CG1 4.35Å; I529-V678 HydrophobicContact CG1-CG1 4.29Å; I529-V678 HydrophobicContact CG2-CB 4.47Å; I529-V678 HydrophobicContact CG2-CG1 4.13Å; I529-C712 HydrophobicContact CG1-CB 4.31Å; I529-F714 HydrophobicContact CD1-CZ 3.88Å; I529-F714 HydrophobicContact CG1-CE1 4.49Å; I529-F714 HydrophobicContact CG1-CZ 4.02Å
530	E	93.8	Very high	93.9	Very high	8 Å²	8	25.7 Å²	25.7	4%	0.037	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-6	-178.6	64.6	-76.7	175.8	0	0	115.3	L528 T532 M563 Y594	L528-E530 WeakPolarHBondContact CB-OE1 3.27Å; L528-E530 WeakPolarHBondContact CD1-OE1 3.37Å; E530-T532 PolarHBondContact O-N 2.91Å; E530-M563 HydrophobicContact CG-CE 3.96Å; E530-M563 HydrophobicContact CG-SD 3.94Å; E530-Y594 PolarHBondContact OE1-OH 2.89Å; E530-Y594 VanDerWaalsContact OE1-OH 3.05Å
531	D	90.9	Very high	94	Very high	19 Å²	19	20.2 Å²	20.2	10%	0.102	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.4	165.6	-103.4	-57.4	0	0	0	112.1	M527 L528 I529 N609 R612	M527-D531 HydrophobicContact CG-CB 4.1Å; L528-D531 PolarHBondContact N-OD2 3.13Å; I529-D531 PolarHBondContact O-N 3.08Å; D531-N609 WeakPolarHBondContact OD1-CB 3.31Å; D531-N609 PolarHBondContact OD1-ND2 3.14Å; D531-R612 PolarHBondContact O-NH1 3.39Å; D531-R612 IonicContact OD1-CZ 3.68Å; D531-R612 IonicContact OD1-NH1 3.78Å; D531-R612 PolarHBondContact OD1-NH1 3.42Å; D531-R612 IonicContact OD1-NH2 2.74Å
532	T	92.4	Very high	94	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.018	10%	0.097	C	C	.	.			trans	-90.2	163	-166.1	68.7	0	0	0	0	113.9	Y269 M527 I529 E530 C535 Q537 V678	Y269-T532 HydrophobicContact CD2-CG2 4.41Å; Y269-T532 HydrophobicContact CE2-CG2 3.85Å; Y269-T532 WeakPolarHBondContact OH-CA 3.45Å; M527-T532 HydrophobicContact CE-CG2 3.64Å; M527-T532 HydrophobicContact CG-CG2 4.42Å; M527-T532 HydrophobicContact SD-CG2 3.79Å; I529-T532 WeakPolarHBondContact O-CB 3.35Å; I529-T532 WeakPolarHBondContact O-CG2 3.38Å; I529-T532 PolarHBondContact O-N 2.77Å; I529-T532 PolarHBondContact O-OG1 3.18Å; E530-T532 PolarHBondContact O-N 2.91Å; T532-C535 PolarHBondContact OG1-SG 3.25Å; T532-Q537 PolarHBondContact O-NE2 3.28Å; T532-Q537 WeakPolarHBondContact OG1-CG 3.27Å; T532-Q537 PolarHBondContact OG1-NE2 3.22Å; T532-V678 HydrophobicContact CG2-CG1 3.89Å; T532-V678 HydrophobicContact CG2-CG2 4.23Å
533	A	93.4	Very high	94.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.			trans	-145	166.3	172.9	0	0	0	0	0	110.7	Y269 L273 H276 C535 Q613 F618 V627	Y269-A533 PolarHBondContact OH-N 3.01Å; L273-A533 HydrophobicContact CD1-CB 3.93Å; H276-A533 PolarHBondContact ND1-O 3.16Å; A533-C535 PolarHBondContact O-N 3.25Å; A533-C535 PolarHBondContact O-SG 2.92Å; A533-C535 VanDerWaalsContact O-SG 3.37Å; A533-Q613 HydrophobicContact CB-CB 4.16Å; A533-F618 HydrophobicContact CB-CD2 4.08Å; A533-F618 HydrophobicContact CB-CE2 4.05Å; A533-V627 HydrophobicContact CB-CG2 4.18Å
534	L	95.6	Very high	94.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	54.7	47.6	-179.7	-56.4	-175.8	0	0	0	113.1	L273 H276 V277 F280 F618 R626	L273-L534 HydrophobicContact CD1-CB 4.4Å; L273-L534 HydrophobicContact CD1-CD1 4.02Å; L273-L534 HydrophobicContact CD1-CG 4.11Å; H276-L534 HydrophobicContact CB-CB 3.48Å; H276-L534 VanDerWaalsContact CB-CB 3.48Å; H276-L534 HydrophobicContact CB-CD1 4.14Å; H276-L534 HydrophobicContact CB-CG 4.46Å; H276-L534 PolarHBondContact ND1-O 2.82Å; V277-L534 HydrophobicContact CB-CD1 4.17Å; V277-L534 HydrophobicContact CG2-CD1 3.43Å; V277-L534 VanDerWaalsContact CG2-CD1 3.43Å; F280-L534 HydrophobicContact CD2-CB 4Å; F280-L534 HydrophobicContact CD2-CD2 4.49Å; F280-L534 HydrophobicContact CE2-CB 3.95Å; F280-L534 WeakPolarHBondContact CE2-O 3.36Å; L534-F618 HydrophobicContact CD1-CD1 3.96Å; L534-F618 HydrophobicContact CD1-CE1 3.95Å; L534-F618 HydrophobicContact CD1-CG 4.37Å; L534-F618 HydrophobicContact CD1-CZ 4.33Å; L534-F618 HydrophobicContact CD2-CB 3.86Å; L534-F618 HydrophobicContact CD2-CD1 4.08Å; L534-F618 HydrophobicContact CD2-CD2 4.34Å; L534-F618 HydrophobicContact CD2-CG 3.84Å; L534-F618 HydrophobicContact CG-CD1 4.24Å; L534-F618 HydrophobicContact CG-CD2 4.27Å; L534-F618 HydrophobicContact CG-CG 4.14Å; L534-R626 VanDerWaalsContact CA-O 3.25Å; L534-R626 WeakPolarHBondContact CA-O 3.49Å; L534-R626 HydrophobicContact CD2-CB 3.57Å; L534-R626 PolarHBondContact N-O 3.31Å
535	C	96.3	Very high	94.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-158.4	178.2	-175.9	54.3	0	0	0	0	112.1	T532 A533 E628 P676 V678	T532-C535 PolarHBondContact OG1-SG 3.25Å; A533-C535 PolarHBondContact O-N 3.25Å; A533-C535 PolarHBondContact O-SG 2.92Å; A533-C535 VanDerWaalsContact O-SG 3.37Å; C535-E628 PolarHBondContact O-N 2.72Å; C535-P676 HydrophobicContact CB-CG 4.02Å; C535-V678 HydrophobicContact CB-CG2 3.95Å
536	T	98.1	Very high	95.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.6	167.8	-64.5	0	0	0	0	108.8	E628 I630 P676 I677 V678 R707	T536-E628 CarbonylContact C-O 3.45Å; T536-E628 WeakPolarHBondContact CB-OE2 3.47Å; T536-E628 HydrophobicContact CG2-CG 4.13Å; T536-E628 WeakPolarHBondContact CG2-OE2 3.21Å; T536-E628 PolarHBondContact OG1-OE2 3.17Å; T536-I630 HydrophobicContact CG2-CB 3.99Å; T536-I630 HydrophobicContact CG2-CG2 3.35Å; T536-P676 PolarHBondContact N-O 3.27Å; T536-P676 VanDerWaalsContact N-O 3.16Å; T536-I677 HydrophobicContact CG2-CD1 3.85Å; T536-I677 CarbonylContact O-C 3.58Å; T536-V678 PolarHBondContact O-N 2.93Å; T536-R707 PolarHBondContact OG1-NH1 2.98Å; T536-R707 VanDerWaalsContact OG1-NH1 3.08Å; T536-R707 PolarHBondContact OG1-NH2 3.42Å
537	Q	98.6	Very high	95.7	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.2	176.5	-71.7	171.5	-5.7	0	0	110.3	I529 T532 V627 E628 T629 I630	I529-Q537 HydrophobicContact CG2-CB 3.61Å; I529-Q537 HydrophobicContact CG2-CG 3.85Å; I529-Q537 PolarHBondContact O-NE2 3.32Å; T532-Q537 PolarHBondContact O-NE2 3.28Å; T532-Q537 WeakPolarHBondContact OG1-CG 3.27Å; T532-Q537 PolarHBondContact OG1-NE2 3.22Å; Q537-V627 HydrophobicContact CG-CG1 4.2Å; Q537-E628 PolarHBondContact N-O 3.07Å; Q537-T629 CarbonylContact O-C 3.26Å; Q537-T629 VanDerWaalsContact O-CA 3.29Å; Q537-T629 WeakPolarHBondContact O-CA 3.03Å; Q537-T629 PolarHBondContact OE1-OG1 3.3Å; Q537-I630 PolarHBondContact O-N 2.68Å
538	V	98.9	Very high	96.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.3	178.6	-176.1	0	0	0	0	110.9	F540 Q556 I630 I632 F665 I677 V678	V538-F540 HydrophobicContact CB-CE1 4.32Å; V538-F540 HydrophobicContact CG1-CD1 3.92Å; V538-F540 HydrophobicContact CG1-CE1 4Å; V538-Q556 PolarHBondContact O-NE2 3Å; V538-I630 HydrophobicContact CB-CG2 4.49Å; V538-I630 HydrophobicContact CG2-CG2 4.05Å; V538-I632 HydrophobicContact CG1-CD1 3.82Å; V538-I632 HydrophobicContact CG1-CG1 3.78Å; V538-F665 HydrophobicContact CG2-CD1 4.44Å; V538-F665 HydrophobicContact CG2-CE1 3.63Å; V538-F665 HydrophobicContact CG2-CZ 4.27Å; V538-I677 HydrophobicContact CG2-CG2 3.57Å; V538-V678 WeakPolarHBondContact CG2-O 3.23Å; V538-V678 PolarHBondContact N-O 3.34Å
539	D	98.8	Very high	96.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122	171.2	169.9	27.9	0	0	0	108.4	A541 E557 T629 I630 A631 I632	D539-A541 PolarHBondContact O-N 3.28Å; D539-E557 WeakPolarHBondContact OD1-CA 3.49Å; D539-E557 WeakPolarHBondContact OD1-CB 3.37Å; D539-E557 WeakPolarHBondContact OD1-CG 3.24Å; D539-T629 HydrophobicContact CB-CG2 3.63Å; D539-I630 PolarHBondContact N-O 2.93Å; D539-A631 HydrophobicContact CB-CB 4.38Å; D539-A631 WeakPolarHBondContact OD2-CB 3.48Å; D539-I632 PolarHBondContact O-N 3.25Å
540	F	98.4	Very high	96.5	Very high	39 Å²	39	12.9 Å²	12.9	17%	0.171	7%	0.07	C	C	.	.			trans	-81.4	53	-174.4	-56.9	-18.5	0	0	0	111	I529 V538 Q556 W682 F714	I529-F540 HydrophobicContact CD1-CE1 3.97Å; I529-F540 HydrophobicContact CD1-CE2 4.45Å; I529-F540 HydrophobicContact CD1-CZ 3.67Å; V538-F540 HydrophobicContact CB-CE1 4.32Å; V538-F540 HydrophobicContact CG1-CD1 3.92Å; V538-F540 HydrophobicContact CG1-CE1 4Å; F540-Q556 HydrophobicContact CD2-CB 4.12Å; F540-Q556 HydrophobicContact CD2-CG 4.18Å; F540-Q556 HydrophobicContact CE2-CG 4.43Å; F540-Q556 VanDerWaalsContact CG-OE1 3.3Å; F540-W682 HydrophobicContact CD1-CB 3.81Å; F540-W682 AromaticContact CD1-CD1 3.66Å; F540-W682 HydrophobicContact CD1-CG 4.13Å; F540-W682 HydrophobicContact CE1-CB 3.82Å; F540-W682 HydrophobicContact CG-CB 4.46Å; F540-W682 HydrophobicContact CZ-CB 4.46Å; F540-F714 HydrophobicContact CE2-CE2 4.08Å; F540-F714 HydrophobicContact CE2-CZ 4.39Å; F540-F714 HydrophobicContact CZ-CE2 4.21Å; F540-F714 HydrophobicContact CZ-CZ 4.44Å
541	A	98	Very high	96.4	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.008	7%	0.071	C	C	.	.			trans	-63.7	158.4	-160.7	0	0	0	0	0	114.7	D539 E557 M577 A631 I632 D633	D539-A541 PolarHBondContact O-N 3.28Å; A541-E557 VanDerWaalsContact CA-CD 3.47Å; A541-E557 WeakPolarHBondContact CA-OE1 3.48Å; A541-E557 VanDerWaalsContact CB-OE1 3.3Å; A541-E557 WeakPolarHBondContact CB-OE1 2.94Å; A541-M577 HydrophobicContact CB-CE 4.06Å; A541-A631 HydrophobicContact CB-CB 3.75Å; A541-I632 PolarHBondContact N-O 3.33Å; A541-D633 VanDerWaalsContact O-CA 3.26Å; A541-D633 WeakPolarHBondContact O-CA 3.17Å
542	N	98	Very high	96.5	Very high	19 Å²	19	15 Å²	15	10%	0.102	8%	0.079	C	C	.	.			trans	-71.8	156.6	154	-166.3	-72.8	0	0	0	109.8	H544 E557 M577	N542-H544 CarbonylContact O-C 3.53Å; N542-H544 PolarHBondContact O-N 3.33Å; N542-H544 PolarHBondContact OD1-N 3.44Å; N542-E557 PolarHBondContact N-OE1 2.84Å; N542-E557 PolarHBondContact N-OE2 2.69Å; N542-M577 VanDerWaalsContact O-CE 3.31Å; N542-M577 WeakPolarHBondContact O-CE 3.42Å
543	E	97.2	Very high	96.5	Very high	45 Å²	45	14.9 Å²	14.9	21%	0.21	8%	0.079	C	C	.	.	S	Bend	trans	-59.6	-27.3	170.9	45.2	156.9	-128.3	0	0	112.2	K576 M577 D633	E543-K576 HydrophobicContact CB-CG 4.27Å; E543-K576 CarbonylContact O-C 3.59Å; E543-K576 WeakPolarHBondContact O-CA 3.49Å; E543-K576 WeakPolarHBondContact OE1-CD 3.35Å; E543-K576 WeakPolarHBondContact OE1-CE 3.34Å; E543-K576 IonicContact OE1-NZ 2.74Å; E543-K576 PolarHBondContact OE1-NZ 3.47Å; E543-K576 WeakPolarHBondContact OE2-CE 3.25Å; E543-K576 IonicContact OE2-NZ 2.76Å; E543-K576 PolarHBondContact OE2-NZ 3.43Å; E543-M577 PolarHBondContact O-N 3.26Å; E543-D633 HydrophobicContact CB-CB 4.04Å
544	H	97.1	Very high	96.5	Very high	91 Å²	91	15 Å²	15	42%	0.421	8%	0.08	S	C	.	.	S	Bend	trans	-92.7	96.6	163.1	-59.7	89.7	0	0	0	109.3	N542 G546 G547	N542-H544 CarbonylContact O-C 3.53Å; N542-H544 PolarHBondContact O-N 3.33Å; N542-H544 PolarHBondContact OD1-N 3.44Å; H544-G546 PolarHBondContact O-N 2.83Å; H544-G547 PolarHBondContact O-N 3.27Å
545	L	98	Very high	96.5	Very high	10 Å²	10	16.3 Å²	16.3	5%	0.052	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.2	133.3	-178.1	-175.3	75.1	0	0	0	113.3	F561 M571 I583 I585 A631	L545-F561 HydrophobicContact CD1-CE2 4.37Å; L545-F561 HydrophobicContact CD1-CZ 3.76Å; L545-F561 HydrophobicContact CD2-CZ 4.17Å; L545-F561 HydrophobicContact CG-CE1 4.24Å; L545-F561 HydrophobicContact CG-CZ 3.67Å; L545-M571 WeakPolarHBondContact O-CG 3.44Å; L545-I583 HydrophobicContact CB-CD1 4.02Å; L545-I583 HydrophobicContact CD1-CD1 4.38Å; L545-I583 HydrophobicContact CD2-CD1 4.01Å; L545-I583 HydrophobicContact CD2-CG2 4.02Å; L545-I583 HydrophobicContact CG-CD1 4.37Å; L545-I585 HydrophobicContact CD2-CD1 4.37Å; L545-A631 HydrophobicContact CD1-CB 3.36Å
546	G	97.1	Very high	96.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	-8	-176.1	0	0	0	0	0	113.9	H544 G548 V549 E557	H544-G546 PolarHBondContact O-N 2.83Å; G546-G548 PolarHBondContact O-N 3.1Å; G546-V549 WeakPolarHBondContact O-CB 3.48Å; G546-V549 WeakPolarHBondContact O-CG1 3.35Å; G546-V549 PolarHBondContact O-N 2.95Å; G546-E557 WeakPolarHBondContact CA-OE1 3.22Å; G546-E557 PolarHBondContact N-OE1 2.96Å
547	G	95.3	Very high	96.6	Very high	25 Å²	25	17.3 Å²	17.3	26%	0.258	9%	0.092	S	C	.	.	G	3₁₀ helix	trans	48.2	-131	170.6	0	0	0	0	0	114	H544 V549 E557	H544-G547 PolarHBondContact O-N 3.27Å; G547-V549 PolarHBondContact O-N 3.45Å; G547-E557 VanDerWaalsContact CA-OE2 3.3Å; G547-E557 WeakPolarHBondContact CA-OE2 3.15Å; G547-E557 PolarHBondContact N-OE2 2.93Å
548	G	95.5	Very high	96.6	Very high	5 Å²	5	17.2 Å²	17.2	5%	0.052	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-80.6	16.9	179.4	0	0	0	0	0	114.8	K474 G546 L550 N551 G553 E558	K474-G548 PolarHBondContact NZ-O 3.23Å; G546-G548 PolarHBondContact O-N 3.1Å; G548-L550 PolarHBondContact O-N 3.45Å; G548-N551 CarbonylContact O-C 3.54Å; G548-N551 WeakPolarHBondContact O-CA 3.28Å; G548-N551 PolarHBondContact O-N 3.4Å; G548-G553 PolarHBondContact O-N 3.35Å; G548-G553 VanDerWaalsContact O-N 3.16Å; G548-E558 WeakPolarHBondContact CA-OE1 3.15Å; G548-E558 PolarHBondContact N-OE1 3.13Å
549	V	97.8	Very high	96.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-63.7	-28.7	-169.6	76.1	0	0	0	0	112.7	K474 G546 G547 E558 F561 L562 M568 M571	K474-V549 WeakPolarHBondContact CD-O 3.35Å; K474-V549 VanDerWaalsContact NZ-C 3.34Å; K474-V549 PolarHBondContact NZ-O 3.48Å; G546-V549 WeakPolarHBondContact O-CB 3.48Å; G546-V549 WeakPolarHBondContact O-CG1 3.35Å; G546-V549 PolarHBondContact O-N 2.95Å; G547-V549 PolarHBondContact O-N 3.45Å; V549-E558 HydrophobicContact CB-CB 3.95Å; V549-E558 HydrophobicContact CB-CG 3.8Å; V549-E558 HydrophobicContact CG2-CB 4Å; V549-E558 HydrophobicContact CG2-CG 4.41Å; V549-E558 VanDerWaalsContact N-CG 3.25Å; V549-F561 HydrophobicContact CB-CB 4.45Å; V549-F561 HydrophobicContact CG2-CB 3.95Å; V549-L562 HydrophobicContact CG2-CD1 4.47Å; V549-L562 HydrophobicContact CG2-CD2 4.2Å; V549-L562 HydrophobicContact CG2-CG 3.89Å; V549-M568 HydrophobicContact CG1-CE 4.23Å; V549-M568 HydrophobicContact CG2-CE 3.65Å; V549-M571 HydrophobicContact CG1-CE 3.9Å; V549-M571 HydrophobicContact CG1-SD 3.84Å
550	L	96.7	Very high	96.5	Very high	5 Å²	5	17.7 Å²	17.7	3%	0.026	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-87	-9.1	175.3	-53.4	-179.9	0	0	0	113.7	M449 P457 F460 R462 I463 G548 M571	M449-L550 HydrophobicContact CE-CD1 3.96Å; M449-L550 HydrophobicContact CE-CD2 3.8Å; P457-L550 WeakPolarHBondContact O-CD1 3.37Å; F460-L550 HydrophobicContact CD1-CD2 3.49Å; F460-L550 VanDerWaalsContact CD1-CD2 3.49Å; F460-L550 HydrophobicContact CE1-CD2 3.36Å; F460-L550 HydrophobicContact CZ-CD2 4.41Å; R462-L550 WeakPolarHBondContact CB-O 3.21Å; I463-L550 WeakPolarHBondContact CG1-O 3.4Å; I463-L550 PolarHBondContact N-O 2.95Å; G548-L550 PolarHBondContact O-N 3.45Å; L550-M571 HydrophobicContact CD1-CE 3.87Å; L550-M571 HydrophobicContact CD1-SD 4.44Å; L550-M571 HydrophobicContact CG-CE 4.07Å
551	N	93.2	Very high	96.5	Very high	12 Å²	12	15.8 Å²	15.8	6%	0.064	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-131.1	176.9	-59.1	16.7	0	0	0	109.9	E20 R462 K474 G548	E20-N551 WeakPolarHBondContact OE1-CB 3.24Å; E20-N551 PolarHBondContact OE1-ND2 3.22Å; R462-N551 WeakPolarHBondContact CD-OD1 3.19Å; R462-N551 PolarHBondContact NH1-ND2 2.83Å; R462-N551 PolarHBondContact NH1-OD1 3.32Å; K474-N551 PolarHBondContact NZ-O 3Å; G548-N551 CarbonylContact O-C 3.54Å; G548-N551 WeakPolarHBondContact O-CA 3.28Å; G548-N551 PolarHBondContact O-N 3.4Å
552	H	91.6	Very high	96.6	Very high	58 Å²	58	15.8 Å²	15.8	27%	0.269	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-14.1	-177.7	-49.6	109.6	0	0	0	114.1	E20 S466 S554	E20-H552 IonicContact OE1-ND1 3.4Å; E20-H552 IonicContact OE2-CE1 2.68Å; E20-H552 IonicContact OE2-ND1 3.19Å; E20-H552 PolarHBondContact OE2-ND1 3.06Å; S466-H552 PolarHBondContact OG-CD2 3.13Å; S466-H552 PolarHBondContact OG-NE2 3.43Å; H552-S554 PolarHBondContact O-N 3.33Å; H552-S554 PolarHBondContact O-OG 3.42Å; H552-S554 VanDerWaalsContact O-OG 3.05Å
553	G	92.4	Very high	96.6	Very high	2 Å²	2	14.9 Å²	14.9	2%	0.021	8%	0.08	C	C	.	.			trans	-53.2	133.8	-178.9	0	0	0	0	0	112.6	K474 G548 E558	K474-G553 WeakPolarHBondContact CE-O 3.39Å; K474-G553 PolarHBondContact NZ-O 3.29Å; G548-G553 PolarHBondContact O-N 3.35Å; G548-G553 VanDerWaalsContact O-N 3.16Å; G553-E558 VanDerWaalsContact C-CD 3.42Å; G553-E558 VanDerWaalsContact C-CG 3.48Å; G553-E558 WeakPolarHBondContact CA-OE1 3.39Å; G553-E558 WeakPolarHBondContact O-CB 3.48Å; G553-E558 WeakPolarHBondContact O-CG 3.25Å
554	S	94.8	Very high	96.7	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.021	7%	0.07	C	C	.	.			trans	-155.8	30.7	-166.9	38.6	0	0	0	0	111.8	H552 E558 I559 G598	H552-S554 PolarHBondContact O-N 3.33Å; H552-S554 PolarHBondContact O-OG 3.42Å; H552-S554 VanDerWaalsContact O-OG 3.05Å; S554-E558 PolarHBondContact N-OE2 2.8Å; S554-I559 WeakPolarHBondContact O-CD1 3.44Å; S554-G598 WeakPolarHBondContact O-CA 3.21Å; S554-G598 PolarHBondContact O-N 3.2Å; S554-G598 VanDerWaalsContact OG-C 3.29Å; S554-G598 WeakPolarHBondContact OG-CA 3.41Å; S554-G598 PolarHBondContact OG-O 3.4Å
555	V	95	Very high	96.8	Very high	27 Å²	27	8.4 Å²	8.4	16%	0.164	5%	0.05	C	C	.	.	S	Bend	trans	-100	-164.2	174	-64.1	0	0	0	0	109.5	Y19 E557 E558 I559 Y597	Y19-V555 WeakPolarHBondContact OH-CG2 3.32Å; V555-E557 PolarHBondContact O-N 2.87Å; V555-E558 WeakPolarHBondContact CA-OE2 3.35Å; V555-E558 WeakPolarHBondContact CG2-OE2 3.27Å; V555-E558 PolarHBondContact N-OE2 2.86Å; V555-E558 PolarHBondContact O-N 2.78Å; V555-I559 WeakPolarHBondContact O-CB 3.46Å; V555-I559 VanDerWaalsContact O-CG1 3.27Å; V555-I559 WeakPolarHBondContact O-CG1 3.36Å; V555-I559 PolarHBondContact O-N 3.06Å; V555-Y597 HydrophobicContact CB-CE1 4.04Å; V555-Y597 HydrophobicContact CB-CE2 4.4Å; V555-Y597 WeakPolarHBondContact CB-OH 3.39Å; V555-Y597 HydrophobicContact CG1-CE1 3.75Å
556	Q	97.1	Very high	96.8	Very high	18 Å²	18	7.9 Å²	7.9	8%	0.084	5%	0.048	C	C	.	.	H	α-helix	trans	-58	-42.3	-164.5	-170.5	-98	-10	0	0	114.8	V538 F540 R560 Y597	V538-Q556 PolarHBondContact O-NE2 3Å; F540-Q556 HydrophobicContact CD2-CB 4.12Å; F540-Q556 HydrophobicContact CD2-CG 4.18Å; F540-Q556 HydrophobicContact CE2-CG 4.43Å; F540-Q556 VanDerWaalsContact CG-OE1 3.3Å; Q556-R560 WeakPolarHBondContact O-CB 3.36Å; Q556-R560 PolarHBondContact O-N 3.44Å; Q556-R560 VanDerWaalsContact O-N 3.08Å; Q556-Y597 HydrophobicContact CB-CE2 4.38Å; Q556-Y597 PolarHBondContact N-OH 3.03Å
557	E	98.3	Very high	96.9	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.009	5%	0.048	C	C	.	.	H	α-helix	trans	-61.6	-55.3	175	177.4	174.8	-142.7	0	0	110.9	D539 A541 N542 G546 G547 V555 I559 R560 F561	D539-E557 WeakPolarHBondContact OD1-CA 3.49Å; D539-E557 WeakPolarHBondContact OD1-CB 3.37Å; D539-E557 WeakPolarHBondContact OD1-CG 3.24Å; A541-E557 VanDerWaalsContact CA-CD 3.47Å; A541-E557 WeakPolarHBondContact CA-OE1 3.48Å; A541-E557 VanDerWaalsContact CB-OE1 3.3Å; A541-E557 WeakPolarHBondContact CB-OE1 2.94Å; N542-E557 PolarHBondContact N-OE1 2.84Å; N542-E557 PolarHBondContact N-OE2 2.69Å; G546-E557 WeakPolarHBondContact CA-OE1 3.22Å; G546-E557 PolarHBondContact N-OE1 2.96Å; G547-E557 VanDerWaalsContact CA-OE2 3.3Å; G547-E557 WeakPolarHBondContact CA-OE2 3.15Å; G547-E557 PolarHBondContact N-OE2 2.93Å; V555-E557 PolarHBondContact O-N 2.87Å; E557-I559 VanDerWaalsContact C-N 3.32Å; E557-I559 PolarHBondContact O-N 3.12Å; E557-R560 PolarHBondContact O-N 2.99Å; E557-R560 VanDerWaalsContact O-N 3.16Å; E557-F561 HydrophobicContact CG-CD2 4.08Å; E557-F561 HydrophobicContact CG-CE2 4.06Å; E557-F561 VanDerWaalsContact O-CD2 3.28Å; E557-F561 WeakPolarHBondContact O-CD2 3.39Å; E557-F561 PolarHBondContact O-N 3.07Å
558	E	98.6	Very high	97	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-65.9	-35.8	-175.1	-58.1	94.1	169.7	0	0	112.5	Y19 G548 V549 G553 S554 V555 F561 L562	Y19-E558 VanDerWaalsContact CE1-OE1 3.25Å; Y19-E558 WeakPolarHBondContact CE1-OE1 3.48Å; Y19-E558 PolarHBondContact OH-OE1 3.25Å; Y19-E558 PolarHBondContact OH-OE2 3.2Å; G548-E558 WeakPolarHBondContact CA-OE1 3.15Å; G548-E558 PolarHBondContact N-OE1 3.13Å; V549-E558 HydrophobicContact CB-CB 3.95Å; V549-E558 HydrophobicContact CB-CG 3.8Å; V549-E558 HydrophobicContact CG2-CB 4Å; V549-E558 HydrophobicContact CG2-CG 4.41Å; V549-E558 VanDerWaalsContact N-CG 3.25Å; G553-E558 VanDerWaalsContact C-CD 3.42Å; G553-E558 VanDerWaalsContact C-CG 3.48Å; G553-E558 WeakPolarHBondContact CA-OE1 3.39Å; G553-E558 WeakPolarHBondContact O-CB 3.48Å; G553-E558 WeakPolarHBondContact O-CG 3.25Å; S554-E558 PolarHBondContact N-OE2 2.8Å; V555-E558 WeakPolarHBondContact CA-OE2 3.35Å; V555-E558 WeakPolarHBondContact CG2-OE2 3.27Å; V555-E558 PolarHBondContact N-OE2 2.86Å; V555-E558 PolarHBondContact O-N 2.78Å; E558-F561 PolarHBondContact O-N 2.83Å; E558-L562 WeakPolarHBondContact O-CB 3.39Å; E558-L562 WeakPolarHBondContact O-CD1 3.5Å; E558-L562 WeakPolarHBondContact O-CG 3.08Å; E558-L562 PolarHBondContact O-N 2.93Å
559	I	98.6	Very high	97.2	Very high	3 Å²	3	6.5 Å²	6.5	2%	0.015	3%	0.033	C	C	.	.	H	α-helix	trans	-61	-47.4	174	-71.6	169.2	0	0	0	110.3	S554 V555 E557 F561 L562 M563 Y594 Y597 L601	S554-I559 WeakPolarHBondContact O-CD1 3.44Å; V555-I559 WeakPolarHBondContact O-CB 3.46Å; V555-I559 VanDerWaalsContact O-CG1 3.27Å; V555-I559 WeakPolarHBondContact O-CG1 3.36Å; V555-I559 PolarHBondContact O-N 3.06Å; E557-I559 VanDerWaalsContact C-N 3.32Å; E557-I559 PolarHBondContact O-N 3.12Å; I559-F561 VanDerWaalsContact C-N 3.33Å; I559-F561 PolarHBondContact O-N 3.43Å; I559-L562 PolarHBondContact O-N 3.31Å; I559-L562 VanDerWaalsContact O-N 3.14Å; I559-M563 HydrophobicContact CG2-CG 4.46Å; I559-M563 HydrophobicContact CG2-SD 4.07Å; I559-M563 WeakPolarHBondContact O-CG 3.39Å; I559-M563 PolarHBondContact O-N 3.02Å; I559-Y594 HydrophobicContact CD1-CD2 4.4Å; I559-Y594 HydrophobicContact CD1-CE2 4.03Å; I559-Y594 HydrophobicContact CG2-CD1 3.68Å; I559-Y594 HydrophobicContact CG2-CD2 4.11Å; I559-Y594 HydrophobicContact CG2-CE1 3.53Å; I559-Y594 HydrophobicContact CG2-CE2 3.97Å; I559-Y594 HydrophobicContact CG2-CG 3.97Å; I559-Y597 HydrophobicContact CD1-CD2 3.46Å; I559-Y597 VanDerWaalsContact CD1-CD2 3.46Å; I559-Y597 HydrophobicContact CD1-CE2 3.88Å; I559-Y597 HydrophobicContact CD1-CG 4.34Å; I559-L601 HydrophobicContact CD1-CD1 4.02Å; I559-L601 HydrophobicContact CD1-CD2 4.39Å; I559-L601 HydrophobicContact CG1-CD1 3.88Å; I559-L601 HydrophobicContact CG1-CD2 3.7Å; I559-L601 HydrophobicContact CG1-CG 4.4Å
560	R	98.4	Very high	97.2	Very high	6 Å²	6	6.5 Å²	6.5	2%	0.023	3%	0.033	C	C	.	.	H	α-helix	trans	-62.9	-40.4	179.2	-178.4	58.8	-179.4	-177.1	-1	111.6	Q556 E557 M563 C564 M567 T629	Q556-R560 WeakPolarHBondContact O-CB 3.36Å; Q556-R560 PolarHBondContact O-N 3.44Å; Q556-R560 VanDerWaalsContact O-N 3.08Å; E557-R560 PolarHBondContact O-N 2.99Å; E557-R560 VanDerWaalsContact O-N 3.16Å; R560-M563 PolarHBondContact O-N 3.25Å; R560-C564 PolarHBondContact O-N 3.4Å; R560-M567 HydrophobicContact CG-CE 3.97Å; R560-M567 HydrophobicContact CG-SD 3.85Å; R560-T629 HydrophobicContact CG-CG2 4.4Å; R560-T629 PolarHBondContact NE-OG1 3.17Å; R560-T629 PolarHBondContact NH2-OG1 2.92Å
561	F	98.8	Very high	97.3	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-68.2	-29.4	174.4	-84.2	-115.8	0	0	0	113.3	L545 V549 E557 E558 I559 C564 P565 M567 M568 M571 I585	L545-F561 HydrophobicContact CD1-CE2 4.37Å; L545-F561 HydrophobicContact CD1-CZ 3.76Å; L545-F561 HydrophobicContact CD2-CZ 4.17Å; L545-F561 HydrophobicContact CG-CE1 4.24Å; L545-F561 HydrophobicContact CG-CZ 3.67Å; V549-F561 HydrophobicContact CB-CB 4.45Å; V549-F561 HydrophobicContact CG2-CB 3.95Å; E557-F561 HydrophobicContact CG-CD2 4.08Å; E557-F561 HydrophobicContact CG-CE2 4.06Å; E557-F561 VanDerWaalsContact O-CD2 3.28Å; E557-F561 WeakPolarHBondContact O-CD2 3.39Å; E557-F561 PolarHBondContact O-N 3.07Å; E558-F561 PolarHBondContact O-N 2.83Å; I559-F561 VanDerWaalsContact C-N 3.33Å; I559-F561 PolarHBondContact O-N 3.43Å; F561-C564 CarbonylContact O-C 3.57Å; F561-C564 VanDerWaalsContact O-C 3.26Å; F561-P565 WeakPolarHBondContact O-CA 3.27Å; F561-M567 HydrophobicContact CD1-CB 3.7Å; F561-M567 HydrophobicContact CD2-CB 4.25Å; F561-M567 HydrophobicContact CD2-CE 3.83Å; F561-M567 HydrophobicContact CD2-SD 4.44Å; F561-M567 VanDerWaalsContact CE1-C 3.46Å; F561-M567 HydrophobicContact CE1-CB 3.66Å; F561-M567 VanDerWaalsContact CE1-O 3.27Å; F561-M567 WeakPolarHBondContact CE1-O 3.42Å; F561-M567 HydrophobicContact CE2-CB 4.23Å; F561-M567 HydrophobicContact CE2-CE 3.47Å; F561-M567 VanDerWaalsContact CE2-CE 3.47Å; F561-M567 HydrophobicContact CG-CB 3.99Å; F561-M567 HydrophobicContact CZ-CB 3.92Å; F561-M567 HydrophobicContact CZ-CE 4.01Å; F561-M568 HydrophobicContact CB-CE 4.47Å; F561-M568 HydrophobicContact CD1-CG 4.01Å; F561-M571 HydrophobicContact CE1-CG 4.16Å; F561-I585 HydrophobicContact CZ-CD1 4.4Å
562	L	98.8	Very high	97.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-76.5	-37.2	173.9	-72.6	162.5	0	0	0	112.4	K474 F477 V549 E558 I559 C564 P565 M568 L601	K474-L562 HydrophobicContact CB-CD2 3.94Å; K474-L562 HydrophobicContact CD-CD1 4.31Å; K474-L562 HydrophobicContact CD-CD2 4.36Å; K474-L562 HydrophobicContact CG-CD1 3.81Å; K474-L562 HydrophobicContact CG-CD2 3.87Å; F477-L562 HydrophobicContact CB-CB 4.14Å; F477-L562 HydrophobicContact CB-CD2 4.08Å; F477-L562 HydrophobicContact CD1-CB 3.8Å; F477-L562 WeakPolarHBondContact CD1-O 3.4Å; F477-L562 HydrophobicContact CD2-CB 4.11Å; F477-L562 HydrophobicContact CD2-CD1 4.42Å; F477-L562 HydrophobicContact CD2-CD2 4.33Å; F477-L562 HydrophobicContact CE1-CB 4.21Å; F477-L562 HydrophobicContact CE2-CB 4.5Å; F477-L562 HydrophobicContact CG-CB 3.76Å; F477-L562 HydrophobicContact CG-CD2 4.31Å; V549-L562 HydrophobicContact CG2-CD1 4.47Å; V549-L562 HydrophobicContact CG2-CD2 4.2Å; V549-L562 HydrophobicContact CG2-CG 3.89Å; E558-L562 WeakPolarHBondContact O-CB 3.39Å; E558-L562 WeakPolarHBondContact O-CD1 3.5Å; E558-L562 WeakPolarHBondContact O-CG 3.08Å; E558-L562 PolarHBondContact O-N 2.93Å; I559-L562 PolarHBondContact O-N 3.31Å; I559-L562 VanDerWaalsContact O-N 3.14Å; L562-C564 VanDerWaalsContact C-N 3.31Å; L562-P565 WeakPolarHBondContact O-CD 3.33Å; L562-P565 WeakPolarHBondContact O-CG 3.25Å; L562-M568 HydrophobicContact CD2-CE 4.42Å; L562-L601 HydrophobicContact CD1-CD2 4.06Å
563	M	98.6	Very high	97.8	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-66.4	-34	172.1	-70.4	177.7	76.7	0	0	112.2	F477 E530 I559 R560 V590 F591 Y594 H610	F477-M563 HydrophobicContact CE1-CG 4.34Å; E530-M563 HydrophobicContact CG-CE 3.96Å; E530-M563 HydrophobicContact CG-SD 3.94Å; I559-M563 HydrophobicContact CG2-CG 4.46Å; I559-M563 HydrophobicContact CG2-SD 4.07Å; I559-M563 WeakPolarHBondContact O-CG 3.39Å; I559-M563 PolarHBondContact O-N 3.02Å; R560-M563 PolarHBondContact O-N 3.25Å; M563-V590 HydrophobicContact CB-CG1 4.33Å; M563-V590 HydrophobicContact CE-CG1 4.01Å; M563-F591 PolarHBondContact O-N 3.45Å; M563-Y594 HydrophobicContact CE-CD1 4.24Å; M563-Y594 HydrophobicContact CE-CE1 4.47Å; M563-Y594 HydrophobicContact CG-CD1 4.26Å; M563-Y594 HydrophobicContact SD-CD1 3.5Å; M563-Y594 VanDerWaalsContact SD-CD1 3.5Å; M563-Y594 HydrophobicContact SD-CE1 3.66Å; M563-H610 HydrophobicContact CE-CB 3.76Å
564	C	98.7	Very high	98	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.026	C	C	.	.	S	Bend	trans	-127.2	69	-177.5	-48	0	0	0	0	111.8	R560 F561 L562 E566 M567 A588 Y589	R560-C564 PolarHBondContact O-N 3.4Å; F561-C564 CarbonylContact O-C 3.57Å; F561-C564 VanDerWaalsContact O-C 3.26Å; L562-C564 VanDerWaalsContact C-N 3.31Å; C564-E566 PolarHBondContact O-N 2.9Å; C564-M567 HydrophobicContact CB-CG 4.03Å; C564-M567 HydrophobicContact CB-SD 3.76Å; C564-M567 WeakPolarHBondContact O-CB 3.31Å; C564-M567 WeakPolarHBondContact O-CG 3.25Å; C564-M567 PolarHBondContact O-N 3.07Å; C564-A588 HydrophobicContact CB-CB 4.36Å; C564-Y589 WeakPolarHBondContact CA-O 3.36Å; C564-Y589 WeakPolarHBondContact CB-O 3.04Å
565	P	98.8	Very high	98	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-59	-16.8	-171.4	-29.2	39.8	0	0	0	115.9	V446 L478 Y481 F561 L562 M567 M568	V446-P565 WeakPolarHBondContact CG2-O 3.47Å; L478-P565 HydrophobicContact CD2-CB 4.39Å; Y481-P565 HydrophobicContact CD1-CB 3.81Å; Y481-P565 HydrophobicContact CD1-CG 4.23Å; Y481-P565 HydrophobicContact CD2-CB 4.27Å; Y481-P565 HydrophobicContact CD2-CG 4.26Å; Y481-P565 HydrophobicContact CE1-CB 4.05Å; Y481-P565 HydrophobicContact CE2-CB 4.49Å; Y481-P565 HydrophobicContact CG-CB 3.91Å; Y481-P565 HydrophobicContact CG-CG 3.87Å; F561-P565 WeakPolarHBondContact O-CA 3.27Å; L562-P565 WeakPolarHBondContact O-CD 3.33Å; L562-P565 WeakPolarHBondContact O-CG 3.25Å; P565-M567 PolarHBondContact O-N 3.32Å; P565-M568 VanDerWaalsContact O-CB 3.25Å; P565-M568 WeakPolarHBondContact O-CB 3.3Å; P565-M568 WeakPolarHBondContact O-CG 3.39Å; P565-M568 PolarHBondContact O-N 3.17Å
566	E	98.8	Very high	98	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-55.9	-30	169.3	-56	-173.1	132.8	0	0	112.9	H439 C442 Y481 V494 F496 C564 M568 V569 Y589 F591	H439-E566 WeakPolarHBondContact CA-OE1 3.47Å; H439-E566 WeakPolarHBondContact CB-OE1 3.4Å; H439-E566 IonicContact CE1-OE2 2.62Å; H439-E566 IonicContact CG-OE1 3.82Å; H439-E566 VanDerWaalsContact ND1-CD 3.26Å; H439-E566 IonicContact ND1-OE1 3.41Å; H439-E566 PolarHBondContact ND1-OE1 3.05Å; H439-E566 IonicContact ND1-OE2 2.7Å; H439-E566 PolarHBondContact ND1-OE2 2.63Å; C442-E566 HydrophobicContact CB-CB 4.13Å; C442-E566 HydrophobicContact CB-CG 4.11Å; Y481-E566 HydrophobicContact CE2-CG 3.81Å; Y481-E566 WeakPolarHBondContact OH-CG 3.45Å; V494-E566 HydrophobicContact CG2-CB 4.43Å; V494-E566 WeakPolarHBondContact CG2-OE2 3.28Å; F496-E566 WeakPolarHBondContact CZ-O 3.38Å; C564-E566 PolarHBondContact O-N 2.9Å; E566-M568 PolarHBondContact O-N 3Å; E566-V569 VanDerWaalsContact O-CB 3.32Å; E566-V569 WeakPolarHBondContact O-CB 3.36Å; E566-V569 WeakPolarHBondContact O-CG2 3.22Å; E566-V569 PolarHBondContact O-N 3.07Å; E566-V569 VanDerWaalsContact O-N 3.11Å; E566-Y589 PolarHBondContact OE2-N 2.98Å; E566-F591 HydrophobicContact CG-CE2 3.9Å; E566-F591 HydrophobicContact CG-CZ 4.42Å
567	M	98.8	Very high	98	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-60.9	-27	175.5	-66	177.4	67.8	0	0	112.4	R560 F561 C564 P565 V569 G570 I585 A588 T629	R560-M567 HydrophobicContact CG-CE 3.97Å; R560-M567 HydrophobicContact CG-SD 3.85Å; F561-M567 HydrophobicContact CD1-CB 3.7Å; F561-M567 HydrophobicContact CD2-CB 4.25Å; F561-M567 HydrophobicContact CD2-CE 3.83Å; F561-M567 HydrophobicContact CD2-SD 4.44Å; F561-M567 VanDerWaalsContact CE1-C 3.46Å; F561-M567 HydrophobicContact CE1-CB 3.66Å; F561-M567 VanDerWaalsContact CE1-O 3.27Å; F561-M567 WeakPolarHBondContact CE1-O 3.42Å; F561-M567 HydrophobicContact CE2-CB 4.23Å; F561-M567 HydrophobicContact CE2-CE 3.47Å; F561-M567 VanDerWaalsContact CE2-CE 3.47Å; F561-M567 HydrophobicContact CG-CB 3.99Å; F561-M567 HydrophobicContact CZ-CB 3.92Å; F561-M567 HydrophobicContact CZ-CE 4.01Å; C564-M567 HydrophobicContact CB-CG 4.03Å; C564-M567 HydrophobicContact CB-SD 3.76Å; C564-M567 WeakPolarHBondContact O-CB 3.31Å; C564-M567 WeakPolarHBondContact O-CG 3.25Å; C564-M567 PolarHBondContact O-N 3.07Å; P565-M567 PolarHBondContact O-N 3.32Å; M567-V569 PolarHBondContact O-N 2.92Å; M567-V569 VanDerWaalsContact O-N 3.12Å; M567-G570 PolarHBondContact O-N 3.31Å; M567-I585 HydrophobicContact CB-CD1 4.04Å; M567-I585 HydrophobicContact CE-CD1 3.95Å; M567-I585 HydrophobicContact CG-CD1 4.09Å; M567-I585 HydrophobicContact CG-CG2 4.27Å; M567-A588 HydrophobicContact CG-CB 3.87Å; M567-T629 HydrophobicContact CE-CG2 3.57Å
568	M	98.8	Very high	97.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.8	-20.2	176.2	-60.6	-178.9	-178.6	0	0	113.1	V446 M449 F460 L478 V549 F561 L562 P565 E566 G570 M571	V446-M568 HydrophobicContact CG1-SD 4.21Å; V446-M568 HydrophobicContact CG2-CB 4.29Å; M449-M568 HydrophobicContact CE-CB 4.3Å; M449-M568 HydrophobicContact SD-CB 4.21Å; F460-M568 HydrophobicContact CE1-CE 4.45Å; F460-M568 HydrophobicContact CE1-SD 3.81Å; F460-M568 HydrophobicContact CZ-SD 3.65Å; L478-M568 HydrophobicContact CD2-CE 4.09Å; L478-M568 HydrophobicContact CD2-SD 4.23Å; V549-M568 HydrophobicContact CG1-CE 4.23Å; V549-M568 HydrophobicContact CG2-CE 3.65Å; F561-M568 HydrophobicContact CB-CE 4.47Å; F561-M568 HydrophobicContact CD1-CG 4.01Å; L562-M568 HydrophobicContact CD2-CE 4.42Å; P565-M568 VanDerWaalsContact O-CB 3.25Å; P565-M568 WeakPolarHBondContact O-CB 3.3Å; P565-M568 WeakPolarHBondContact O-CG 3.39Å; P565-M568 PolarHBondContact O-N 3.17Å; E566-M568 PolarHBondContact O-N 3Å; M568-G570 PolarHBondContact O-N 3.18Å; M568-M571 HydrophobicContact CB-SD 4.03Å; M568-M571 HydrophobicContact CG-SD 4.15Å; M568-M571 VanDerWaalsContact O-CB 3.26Å; M568-M571 WeakPolarHBondContact O-CB 3.13Å; M568-M571 WeakPolarHBondContact O-CG 3.2Å; M568-M571 PolarHBondContact O-N 2.92Å; M568-M571 VanDerWaalsContact O-N 3.09Å
569	V	98.8	Very high	97.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-31.2	171	177	0	0	0	0	111.3	L437 C442 L445 V446 F496 E566 M567 M571 L572 L573	L437-V569 HydrophobicContact CD1-CG1 4.47Å; C442-V569 HydrophobicContact CB-CG2 3.88Å; L445-V569 HydrophobicContact CB-CG2 4.11Å; L445-V569 HydrophobicContact CD1-CG1 3.73Å; L445-V569 HydrophobicContact CD1-CG2 4.26Å; V446-V569 HydrophobicContact CG2-CG2 3.85Å; F496-V569 HydrophobicContact CD2-CG1 4.48Å; F496-V569 HydrophobicContact CE1-CB 4.14Å; F496-V569 HydrophobicContact CE2-CB 4.11Å; F496-V569 HydrophobicContact CE2-CG1 3.9Å; F496-V569 HydrophobicContact CZ-CB 3.65Å; F496-V569 HydrophobicContact CZ-CG1 3.97Å; E566-V569 VanDerWaalsContact O-CB 3.32Å; E566-V569 WeakPolarHBondContact O-CB 3.36Å; E566-V569 WeakPolarHBondContact O-CG2 3.22Å; E566-V569 PolarHBondContact O-N 3.07Å; E566-V569 VanDerWaalsContact O-N 3.11Å; M567-V569 PolarHBondContact O-N 2.92Å; M567-V569 VanDerWaalsContact O-N 3.12Å; V569-M571 PolarHBondContact O-N 3.26Å; V569-L572 WeakPolarHBondContact O-CB 3.32Å; V569-L572 PolarHBondContact O-N 3.5Å; V569-L573 HydrophobicContact CG1-CD1 3.75Å; V569-L573 HydrophobicContact CG1-CG 4.17Å; V569-L573 VanDerWaalsContact O-CG 3.28Å; V569-L573 WeakPolarHBondContact O-CG 3.4Å; V569-L573 PolarHBondContact O-N 3.5Å
570	G	98.4	Very high	97.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.7	-35.4	172.4	0	0	0	0	0	112.8	M567 M568 L572 L573 C574	M567-G570 PolarHBondContact O-N 3.31Å; M568-G570 PolarHBondContact O-N 3.18Å; G570-L572 VanDerWaalsContact C-N 3.34Å; G570-L572 PolarHBondContact O-N 3.14Å; G570-L573 PolarHBondContact O-N 2.82Å; G570-C574 WeakPolarHBondContact O-CB 3.45Å; G570-C574 PolarHBondContact O-N 3.5Å
571	M	98.1	Very high	97.3	Very high	20 Å²	20	25.7 Å²	25.7	10%	0.099	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-42.4	177.4	-46.7	177	73.8	0	0	111.3	F458 L545 V549 L550 F561 M568 V569 L573	F458-M571 HydrophobicContact CD1-CB 4.06Å; F458-M571 HydrophobicContact CE1-CB 4.06Å; F458-M571 WeakPolarHBondContact CE1-O 3.46Å; F458-M571 VanDerWaalsContact CZ-O 3.29Å; F458-M571 WeakPolarHBondContact CZ-O 3.42Å; L545-M571 WeakPolarHBondContact O-CG 3.44Å; V549-M571 HydrophobicContact CG1-CE 3.9Å; V549-M571 HydrophobicContact CG1-SD 3.84Å; L550-M571 HydrophobicContact CD1-CE 3.87Å; L550-M571 HydrophobicContact CD1-SD 4.44Å; L550-M571 HydrophobicContact CG-CE 4.07Å; F561-M571 HydrophobicContact CE1-CG 4.16Å; M568-M571 HydrophobicContact CB-SD 4.03Å; M568-M571 HydrophobicContact CG-SD 4.15Å; M568-M571 VanDerWaalsContact O-CB 3.26Å; M568-M571 WeakPolarHBondContact O-CB 3.13Å; M568-M571 WeakPolarHBondContact O-CG 3.2Å; M568-M571 PolarHBondContact O-N 2.92Å; M568-M571 VanDerWaalsContact O-N 3.09Å; V569-M571 PolarHBondContact O-N 3.26Å; M571-L573 VanDerWaalsContact C-N 3.32Å; M571-L573 PolarHBondContact O-N 3.39Å
572	L	97.4	Very high	97.3	Very high	16 Å²	16	25.7 Å²	25.7	8%	0.084	12%	0.119	C	C	.	.	H	α-helix	trans	-65.7	-36.6	177.6	-57	175.4	0	0	0	112	L327 R427 L445 M449 F458 V569 G570	L327-L572 HydrophobicContact CD1-CB 4.06Å; L327-L572 WeakPolarHBondContact CD1-O 3.37Å; R427-L572 PolarHBondContact NE-O 2.87Å; L445-L572 HydrophobicContact CB-CD1 3.96Å; L445-L572 HydrophobicContact CD2-CD1 4.43Å; M449-L572 HydrophobicContact CG-CD2 4.37Å; M449-L572 HydrophobicContact SD-CD1 4.48Å; M449-L572 HydrophobicContact SD-CD2 4.44Å; F458-L572 HydrophobicContact CB-CD2 3.58Å; F458-L572 HydrophobicContact CD1-CD2 4.17Å; F458-L572 HydrophobicContact CD2-CD2 3.83Å; F458-L572 HydrophobicContact CG-CD2 3.59Å; V569-L572 WeakPolarHBondContact O-CB 3.32Å; V569-L572 PolarHBondContact O-N 3.5Å; G570-L572 VanDerWaalsContact C-N 3.34Å; G570-L572 PolarHBondContact O-N 3.14Å
573	L	97.8	Very high	97.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-87.7	-31.7	-170	-68.8	176.5	0	0	0	114	I425 R427 L428 A435 L437 F496 V569 G570 M571	I425-L573 HydrophobicContact CG2-CD2 3.51Å; R427-L573 CarbonylContact C-O 3.59Å; R427-L573 VanDerWaalsContact CA-O 3.22Å; R427-L573 WeakPolarHBondContact CA-O 3.45Å; R427-L573 WeakPolarHBondContact CB-O 3.37Å; L428-L573 HydrophobicContact CD1-CB 3.66Å; L428-L573 HydrophobicContact CD1-CD1 4.18Å; L428-L573 HydrophobicContact CD1-CG 4.38Å; L428-L573 PolarHBondContact N-O 2.97Å; A435-L573 HydrophobicContact CB-CD1 3.87Å; L437-L573 HydrophobicContact CD1-CD1 4.32Å; F496-L573 HydrophobicContact CB-CD1 4.17Å; F496-L573 HydrophobicContact CD2-CD1 3.9Å; F496-L573 HydrophobicContact CG-CD1 3.98Å; V569-L573 HydrophobicContact CG1-CD1 3.75Å; V569-L573 HydrophobicContact CG1-CG 4.17Å; V569-L573 VanDerWaalsContact O-CG 3.28Å; V569-L573 WeakPolarHBondContact O-CG 3.4Å; V569-L573 PolarHBondContact O-N 3.5Å; G570-L573 PolarHBondContact O-N 2.82Å; M571-L573 VanDerWaalsContact C-N 3.32Å; M571-L573 PolarHBondContact O-N 3.39Å
574	C	96.6	Very high	97.3	Very high	7 Å²	7	25.7 Å²	25.7	5%	0.047	12%	0.119	C	C	.	.			trans	-96.7	-179.5	-173.2	-67.6	0	0	0	0	113.1	R427 G570 I583	R427-C574 PolarHBondContact NH2-O 3.18Å; G570-C574 WeakPolarHBondContact O-CB 3.45Å; G570-C574 PolarHBondContact O-N 3.5Å; C574-I583 HydrophobicContact CB-CD1 3.73Å
575	E	93.8	Very high	97.3	Very high	78 Å²	78	25.8 Å²	25.8	36%	0.364	12%	0.119	S	C	.	.			trans	-126.8	174.8	166.8	-72.3	-173.1	164.6	0	0	109.1	R427 V429 M577	R427-E575 IonicContact CZ-OE1 3.17Å; R427-E575 IonicContact NH1-OE1 3.2Å; R427-E575 PolarHBondContact NH1-OE1 3.48Å; R427-E575 IonicContact NH2-OE1 2.81Å; R427-E575 PolarHBondContact NH2-OE1 3.43Å; V429-E575 VanDerWaalsContact CG1-CD 3.46Å; V429-E575 HydrophobicContact CG1-CG 3.8Å; E575-M577 PolarHBondContact O-N 3.11Å; E575-M577 VanDerWaalsContact O-N 3.16Å
576	K	95.4	Very high	97.3	Very high	101 Å²	101	25.8 Å²	25.8	44%	0.439	12%	0.119	S	C	.	.			trans	-45.6	119.4	170.5	175.4	176	164.6	135.1	0	110.5	E543 K578	E543-K576 HydrophobicContact CB-CG 4.27Å; E543-K576 CarbonylContact O-C 3.59Å; E543-K576 WeakPolarHBondContact O-CA 3.49Å; E543-K576 WeakPolarHBondContact OE1-CD 3.35Å; E543-K576 WeakPolarHBondContact OE1-CE 3.34Å; E543-K576 IonicContact OE1-NZ 2.74Å; E543-K576 PolarHBondContact OE1-NZ 3.47Å; E543-K576 WeakPolarHBondContact OE2-CE 3.25Å; E543-K576 IonicContact OE2-NZ 2.76Å; E543-K576 PolarHBondContact OE2-NZ 3.43Å; K576-K578 PolarHBondContact O-N 2.84Å
577	M	96.9	Very high	97.2	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.02	12%	0.12	C	C	.	.			trans	-62.5	129.3	180	-70.4	-169.4	-79.2	0	0	110.7	A541 N542 E543 E575 I583 A631 D633	A541-M577 HydrophobicContact CB-CE 4.06Å; N542-M577 VanDerWaalsContact O-CE 3.31Å; N542-M577 WeakPolarHBondContact O-CE 3.42Å; E543-M577 PolarHBondContact O-N 3.26Å; E575-M577 PolarHBondContact O-N 3.11Å; E575-M577 VanDerWaalsContact O-N 3.16Å; M577-I583 HydrophobicContact CG-CD1 3.57Å; M577-I583 HydrophobicContact CG-CG1 4.01Å; M577-I583 HydrophobicContact SD-CB 4.28Å; M577-I583 HydrophobicContact SD-CD1 3.69Å; M577-I583 HydrophobicContact SD-CG1 3.75Å; M577-A631 HydrophobicContact CE-CB 4.29Å; M577-D633 WeakPolarHBondContact CB-OD1 3.37Å; M577-D633 HydrophobicContact CE-CB 4.18Å; M577-D633 WeakPolarHBondContact CE-OD1 3.3Å
578	K	95.8	Very high	97.2	Very high	131 Å²	131	26 Å²	26	57%	0.57	12%	0.122	S	C	*	.			trans	-77.9	169	170.4	-62.7	165.6	-159.5	142.4	0	110.6	K576 L580 E581 K660	K576-K578 PolarHBondContact O-N 2.84Å; K578-L580 PolarHBondContact O-N 3.39Å; K578-E581 HydrophobicContact CB-CG 4.16Å; K578-E581 VanDerWaalsContact CB-OE2 3.28Å; K578-E581 WeakPolarHBondContact CB-OE2 3.14Å; K578-E581 VanDerWaalsContact CD-OE2 3.28Å; K578-E581 WeakPolarHBondContact CD-OE2 3.39Å; K578-E581 WeakPolarHBondContact CG-OE2 3.48Å; K578-E581 PolarHBondContact N-OE2 3.17Å; K578-E581 VanDerWaalsContact N-OE2 3.12Å; K578-E581 IonicContact NZ-OE1 2.85Å; K578-E581 PolarHBondContact NZ-OE1 2.97Å; K578-E581 IonicContact NZ-OE2 2.63Å; K578-E581 PolarHBondContact O-N 3.42Å; K578-E581 VanDerWaalsContact O-N 3.07Å; K578-K660 PolarHBondContact O-NZ 3.2Å
579	Q	94.8	Very high	97.1	Very high	129 Å²	129	27.7 Å²	27.7	60%	0.603	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-27.5	-178.9	-65.1	178.6	-6.6	0	0	114.3	R656 K660	Q579-R656 HydrophobicContact CG-CG 4.46Å; Q579-K660 WeakPolarHBondContact O-CE 3.33Å
580	L	94.3	Very high	97.1	Very high	36 Å²	36	27.7 Å²	27.7	19%	0.188	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	26.3	-179.6	-54	178.8	0	0	0	113.4	M501 K503 K578 K659 I663	M501-L580 PolarHBondContact N-O 2.79Å; M501-L580 VanDerWaalsContact N-O 3.12Å; M501-L580 WeakPolarHBondContact O-CB 3.39Å; K503-L580 HydrophobicContact CB-CD1 4.46Å; K503-L580 HydrophobicContact CG-CD1 3.58Å; K578-L580 PolarHBondContact O-N 3.39Å; L580-K659 HydrophobicContact CD2-CB 3.98Å; L580-K659 HydrophobicContact CD2-CD 4.2Å; L580-I663 HydrophobicContact CB-CD1 3.8Å; L580-I663 HydrophobicContact CD2-CD1 3.69Å; L580-I663 HydrophobicContact CG-CD1 4.34Å
581	E	96	Very high	97.1	Very high	17 Å²	17	28.2 Å²	28.2	8%	0.079	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	147.8	173.9	-66	177.4	142.7	0	0	110.1	L498 T499 K500 K578 K660	L498-E581 HydrophobicContact CD1-CB 4.01Å; T499-E581 CarbonylContact O-C 3.51Å; T499-E581 VanDerWaalsContact O-CA 3.29Å; T499-E581 WeakPolarHBondContact O-CA 3.22Å; K500-E581 HydrophobicContact CB-CG 4.44Å; K500-E581 HydrophobicContact CD-CG 4.3Å; K500-E581 WeakPolarHBondContact CD-OE1 3.35Å; K500-E581 WeakPolarHBondContact CE-OE1 3.2Å; K500-E581 HydrophobicContact CG-CG 4.09Å; K500-E581 IonicContact NZ-OE1 3.72Å; K500-E581 PolarHBondContact NZ-OE1 3.18Å; K578-E581 HydrophobicContact CB-CG 4.16Å; K578-E581 VanDerWaalsContact CB-OE2 3.28Å; K578-E581 WeakPolarHBondContact CB-OE2 3.14Å; K578-E581 VanDerWaalsContact CD-OE2 3.28Å; K578-E581 WeakPolarHBondContact CD-OE2 3.39Å; K578-E581 WeakPolarHBondContact CG-OE2 3.48Å; K578-E581 PolarHBondContact N-OE2 3.17Å; K578-E581 VanDerWaalsContact N-OE2 3.12Å; K578-E581 IonicContact NZ-OE1 2.85Å; K578-E581 PolarHBondContact NZ-OE1 2.97Å; K578-E581 IonicContact NZ-OE2 2.63Å; K578-E581 PolarHBondContact O-N 3.42Å; K578-E581 VanDerWaalsContact O-N 3.07Å; E581-K660 PolarHBondContact O-NZ 2.91Å
582	A	97.7	Very high	97.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	145.8	174.2	0	0	0	0	0	109.9	T499 I630 I632 I663	T499-A582 WeakPolarHBondContact CA-O 3.27Å; T499-A582 WeakPolarHBondContact CB-O 3.34Å; T499-A582 PolarHBondContact N-O 2.82Å; T499-A582 PolarHBondContact O-N 3.4Å; A582-I630 HydrophobicContact CB-CD1 4.25Å; A582-I632 HydrophobicContact CB-CG2 3.84Å; A582-I663 HydrophobicContact CB-CG2 4.19Å
583	I	98.7	Very high	97.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.8	-174.4	-60.9	161	0	0	0	110.5	L498 L545 C574 M577 I585 A631	L498-I583 HydrophobicContact CD1-CD1 4.43Å; L498-I583 HydrophobicContact CD1-CG1 3.64Å; L545-I583 HydrophobicContact CB-CD1 4.02Å; L545-I583 HydrophobicContact CD1-CD1 4.38Å; L545-I583 HydrophobicContact CD2-CD1 4.01Å; L545-I583 HydrophobicContact CD2-CG2 4.02Å; L545-I583 HydrophobicContact CG-CD1 4.37Å; C574-I583 HydrophobicContact CB-CD1 3.73Å; M577-I583 HydrophobicContact CG-CD1 3.57Å; M577-I583 HydrophobicContact CG-CG1 4.01Å; M577-I583 HydrophobicContact SD-CB 4.28Å; M577-I583 HydrophobicContact SD-CD1 3.69Å; M577-I583 HydrophobicContact SD-CG1 3.75Å; I583-I585 HydrophobicContact CG2-CG1 4.28Å; I583-A631 HydrophobicContact CB-CB 4.25Å; I583-A631 PolarHBondContact N-O 2.88Å; I583-A631 PolarHBondContact O-N 3.26Å
584	S	98.6	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.3	175.2	167.6	0	0	0	0	110.1	F496 R497 E628	F496-S584 CarbonylContact C-O 3.51Å; R497-S584 VanDerWaalsContact CZ-CB 3.45Å; R497-S584 VanDerWaalsContact CZ-OG 3.31Å; R497-S584 PolarHBondContact N-O 3.35Å; R497-S584 VanDerWaalsContact NH1-CB 3.29Å; R497-S584 PolarHBondContact NH1-OG 2.79Å; R497-S584 VanDerWaalsContact NH2-CB 3.29Å; R497-S584 PolarHBondContact NH2-OG 3.44Å; R497-S584 VanDerWaalsContact NH2-OG 3.13Å; R497-S584 PolarHBondContact O-N 2.75Å; S584-E628 VanDerWaalsContact CB-OE1 3.29Å; S584-E628 WeakPolarHBondContact CB-OE1 3.25Å; S584-E628 PolarHBondContact OG-OE1 2.97Å
585	I	98.8	Very high	97.2	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.9	173.8	-50.3	-178.9	0	0	0	108	V494 S495 F496 L545 F561 M567 I583 A588 E628 T629	V494-I585 HydrophobicContact CG1-CG2 3.81Å; S495-I585 CarbonylContact O-C 3.52Å; S495-I585 WeakPolarHBondContact O-CA 3.45Å; F496-I585 HydrophobicContact CD1-CB 4.48Å; F496-I585 HydrophobicContact CD1-CD1 4.06Å; F496-I585 HydrophobicContact CD1-CG1 3.92Å; F496-I585 HydrophobicContact CD1-CG2 3.94Å; F496-I585 HydrophobicContact CE1-CD1 4.08Å; F496-I585 HydrophobicContact CE1-CG1 4.29Å; F496-I585 HydrophobicContact CE1-CG2 3.72Å; F496-I585 HydrophobicContact CZ-CG2 4.36Å; L545-I585 HydrophobicContact CD2-CD1 4.37Å; F561-I585 HydrophobicContact CZ-CD1 4.4Å; M567-I585 HydrophobicContact CB-CD1 4.04Å; M567-I585 HydrophobicContact CE-CD1 3.95Å; M567-I585 HydrophobicContact CG-CD1 4.09Å; M567-I585 HydrophobicContact CG-CG2 4.27Å; I583-I585 HydrophobicContact CG2-CG1 4.28Å; I585-A588 HydrophobicContact CG2-CB 4.26Å; I585-E628 CarbonylContact O-C 3.14Å; I585-E628 WeakPolarHBondContact O-CA 3.42Å; I585-T629 PolarHBondContact N-O 3.07Å; I585-T629 PolarHBondContact O-N 3.06Å
586	V	98.7	Very high	97.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.6	-176.8	170.4	0	0	0	0	109.9	L287 V494 S495 R624 V627 E628	L287-V586 HydrophobicContact CB-CG1 3.88Å; L287-V586 HydrophobicContact CB-CG2 4.15Å; L287-V586 HydrophobicContact CD1-CG1 3.6Å; L287-V586 HydrophobicContact CD1-CG2 4.18Å; L287-V586 HydrophobicContact CG-CG1 4.39Å; V494-V586 CarbonylContact C-O 3.39Å; V494-V586 WeakPolarHBondContact CA-O 3.12Å; S495-V586 PolarHBondContact N-O 3.2Å; S495-V586 PolarHBondContact O-N 3.31Å; V586-R624 HydrophobicContact CG1-CB 4.17Å; V586-V627 WeakPolarHBondContact CA-O 3.41Å; V586-E628 HydrophobicContact CG2-CB 3.98Å; V586-E628 HydrophobicContact CG2-CG 4.27Å
587	G	97.7	Very high	97.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	15%	0.15	C	C	.	.	S	Bend	trans	94.6	2.2	171.3	0	0	0	0	0	117.1	H439 Y589 L625 V627	H439-G587 PolarHBondContact CE1-O 3.24Å; G587-Y589 PolarHBondContact O-N 3.11Å; G587-L625 WeakPolarHBondContact CA-O 3.08Å; G587-L625 PolarHBondContact N-O 2.95Å; G587-V627 PolarHBondContact N-O 3.34Å
588	A	97.9	Very high	97.1	Very high	5 Å²	5	30.1 Å²	30.1	4%	0.041	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-60.2	134.7	178.4	0	0	0	0	0	111.8	V494 C564 M567 I585 Q613	V494-A588 HydrophobicContact CG1-CB 4.21Å; C564-A588 HydrophobicContact CB-CB 4.36Å; M567-A588 HydrophobicContact CG-CB 3.87Å; I585-A588 HydrophobicContact CG2-CB 4.26Å; A588-Q613 PolarHBondContact O-NE2 3.37Å
589	Y	98.1	Very high	96.9	Very high	35 Å²	35	29.5 Å²	29.5	14%	0.137	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-91.6	145.4	-174.5	-165.1	-82.4	0	0	0	111.5	P490 C564 E566 G587 F591 N614 L625	P490-Y589 HydrophobicContact CB-CD2 3.72Å; P490-Y589 HydrophobicContact CB-CE2 3.69Å; P490-Y589 HydrophobicContact CB-CG 4.27Å; P490-Y589 HydrophobicContact CG-CD1 4.15Å; P490-Y589 HydrophobicContact CG-CD2 3.87Å; P490-Y589 HydrophobicContact CG-CE1 4.42Å; P490-Y589 HydrophobicContact CG-CE2 4.16Å; P490-Y589 HydrophobicContact CG-CG 3.88Å; C564-Y589 WeakPolarHBondContact CA-O 3.36Å; C564-Y589 WeakPolarHBondContact CB-O 3.04Å; E566-Y589 PolarHBondContact OE2-N 2.98Å; G587-Y589 PolarHBondContact O-N 3.11Å; Y589-F591 HydrophobicContact CD1-CD1 4.11Å; Y589-F591 HydrophobicContact CD1-CD2 4.18Å; Y589-F591 AromaticContact CD1-CE1 3.79Å; Y589-F591 HydrophobicContact CD1-CE1 3.79Å; Y589-F591 AromaticContact CD1-CE2 3.86Å; Y589-F591 HydrophobicContact CD1-CE2 3.86Å; Y589-F591 HydrophobicContact CD1-CG 4.3Å; Y589-F591 AromaticContact CD1-CZ 3.65Å; Y589-F591 HydrophobicContact CD1-CZ 3.65Å; Y589-F591 HydrophobicContact CE1-CE1 4.37Å; Y589-F591 HydrophobicContact CG-CE2 4.21Å; Y589-F591 HydrophobicContact CG-CZ 4.05Å; Y589-F591 WeakPolarHBondContact O-CD2 3.38Å; Y589-F591 WeakPolarHBondContact O-CE2 3.3Å; Y589-N614 HydrophobicContact CD2-CB 4.15Å; Y589-N614 HydrophobicContact CE1-CB 4.26Å; Y589-N614 WeakPolarHBondContact CE1-ND2 3.5Å; Y589-N614 HydrophobicContact CE2-CB 3.56Å; Y589-L625 HydrophobicContact CD2-CD1 3.91Å; Y589-L625 HydrophobicContact CG-CD1 4.45Å
590	V	98.3	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-91.4	124.4	178	-170.1	0	0	0	0	110	M563 S592 L606 H610 Q613 N614	M563-V590 HydrophobicContact CB-CG1 4.33Å; M563-V590 HydrophobicContact CE-CG1 4.01Å; V590-S592 WeakPolarHBondContact CG1-O 3.42Å; V590-L606 HydrophobicContact CB-CD1 4.38Å; V590-L606 HydrophobicContact CG1-CD1 3.72Å; V590-L606 WeakPolarHBondContact O-CD2 3.48Å; V590-H610 HydrophobicContact CG1-CB 4.38Å; V590-Q613 HydrophobicContact CG2-CG 3.42Å; V590-Q613 VanDerWaalsContact CG2-CG 3.42Å; V590-N614 PolarHBondContact N-OD1 3.24Å; V590-N614 PolarHBondContact O-ND2 2.88Å
591	F	98.5	Very high	97.1	Very high	11 Å²	11	24.4 Å²	24.4	5%	0.048	13%	0.131	C	C	.	.			trans	-112.4	-11.7	-174.2	-66.7	-89	0	0	0	114.4	Y481 K484 M485 P490 M563 E566 Y589	Y481-F591 HydrophobicContact CD2-CB 4.36Å; Y481-F591 AromaticContact CD2-CD1 3.69Å; Y481-F591 HydrophobicContact CD2-CD1 3.69Å; Y481-F591 AromaticContact CD2-CD2 3.53Å; Y481-F591 HydrophobicContact CD2-CD2 3.53Å; Y481-F591 AromaticContact CD2-CE1 3.74Å; Y481-F591 HydrophobicContact CD2-CE1 3.74Å; Y481-F591 AromaticContact CD2-CE2 3.59Å; Y481-F591 HydrophobicContact CD2-CE2 3.59Å; Y481-F591 AromaticContact CD2-CG 3.59Å; Y481-F591 HydrophobicContact CD2-CG 3.59Å; Y481-F591 AromaticContact CD2-CZ 3.69Å; Y481-F591 HydrophobicContact CD2-CZ 3.69Å; Y481-F591 HydrophobicContact CE2-CD1 4.37Å; Y481-F591 AromaticContact CE2-CD2 3.94Å; Y481-F591 HydrophobicContact CE2-CD2 3.94Å; Y481-F591 AromaticContact CE2-CE1 3.97Å; Y481-F591 HydrophobicContact CE2-CE1 3.97Å; Y481-F591 AromaticContact CE2-CE2 3.5Å; Y481-F591 HydrophobicContact CE2-CE2 3.5Å; Y481-F591 HydrophobicContact CE2-CG 4.36Å; Y481-F591 AromaticContact CE2-CZ 3.52Å; Y481-F591 HydrophobicContact CE2-CZ 3.52Å; K484-F591 HydrophobicContact CB-CD1 3.92Å; K484-F591 HydrophobicContact CB-CE1 4.28Å; K484-F591 HydrophobicContact CG-CD1 3.77Å; K484-F591 HydrophobicContact CG-CE1 3.86Å; M485-F591 HydrophobicContact CG-CE1 4.17Å; M485-F591 HydrophobicContact CG-CZ 4.47Å; M485-F591 HydrophobicContact SD-CE1 3.65Å; M485-F591 HydrophobicContact SD-CZ 3.72Å; P490-F591 HydrophobicContact CG-CE1 4.31Å; P490-F591 HydrophobicContact CG-CZ 4.13Å; M563-F591 PolarHBondContact O-N 3.45Å; E566-F591 HydrophobicContact CG-CE2 3.9Å; E566-F591 HydrophobicContact CG-CZ 4.42Å; Y589-F591 HydrophobicContact CD1-CD1 4.11Å; Y589-F591 HydrophobicContact CD1-CD2 4.18Å; Y589-F591 AromaticContact CD1-CE1 3.79Å; Y589-F591 HydrophobicContact CD1-CE1 3.79Å; Y589-F591 AromaticContact CD1-CE2 3.86Å; Y589-F591 HydrophobicContact CD1-CE2 3.86Å; Y589-F591 HydrophobicContact CD1-CG 4.3Å; Y589-F591 AromaticContact CD1-CZ 3.65Å; Y589-F591 HydrophobicContact CD1-CZ 3.65Å; Y589-F591 HydrophobicContact CE1-CE1 4.37Å; Y589-F591 HydrophobicContact CG-CE2 4.21Å; Y589-F591 HydrophobicContact CG-CZ 4.05Å; Y589-F591 WeakPolarHBondContact O-CD2 3.38Å; Y589-F591 WeakPolarHBondContact O-CE2 3.3Å
592	S	98.5	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.			trans	-155.9	160.3	-178	-70.4	0	0	0	0	110.9	T480 V590 W603	T480-S592 WeakPolarHBondContact CG2-OG 3.38Å; V590-S592 WeakPolarHBondContact CG1-O 3.42Å; S592-W603 PolarHBondContact OG-NE1 2.91Å
593	S	98.4	Very high	97.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-180	165.8	-66.1	0	0	0	0	110.1	F477 A604 E605 Q607 H610	F477-S593 WeakPolarHBondContact CE1-O 3.3Å; S593-A604 CarbonylContact C-O 3.53Å; S593-A604 PolarHBondContact N-O 2.92Å; S593-A604 PolarHBondContact O-N 3.24Å; S593-E605 WeakPolarHBondContact CB-O 3.31Å; S593-E605 PolarHBondContact OG-O 2.62Å; S593-Q607 PolarHBondContact OG-N 2.97Å; S593-H610 VanDerWaalsContact CB-ND1 3.34Å; S593-H610 WeakPolarHBondContact CB-ND1 3.26Å; S593-H610 PolarHBondContact OG-ND1 2.89Å
594	Y	97.9	Very high	97.2	Very high	31 Å²	31	32.5 Å²	32.5	12%	0.122	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	168.9	176.5	76.4	-81.1	0	0	0	111.1	E530 I559 M563 G596 L601 K602	E530-Y594 PolarHBondContact OE1-OH 2.89Å; E530-Y594 VanDerWaalsContact OE1-OH 3.05Å; I559-Y594 HydrophobicContact CD1-CD2 4.4Å; I559-Y594 HydrophobicContact CD1-CE2 4.03Å; I559-Y594 HydrophobicContact CG2-CD1 3.68Å; I559-Y594 HydrophobicContact CG2-CD2 4.11Å; I559-Y594 HydrophobicContact CG2-CE1 3.53Å; I559-Y594 HydrophobicContact CG2-CE2 3.97Å; I559-Y594 HydrophobicContact CG2-CG 3.97Å; M563-Y594 HydrophobicContact CE-CD1 4.24Å; M563-Y594 HydrophobicContact CE-CE1 4.47Å; M563-Y594 HydrophobicContact CG-CD1 4.26Å; M563-Y594 HydrophobicContact SD-CD1 3.5Å; M563-Y594 VanDerWaalsContact SD-CD1 3.5Å; M563-Y594 HydrophobicContact SD-CE1 3.66Å; Y594-G596 VanDerWaalsContact CD2-O 3.27Å; Y594-G596 WeakPolarHBondContact CD2-O 3.25Å; Y594-G596 WeakPolarHBondContact CE2-O 3.47Å; Y594-L601 HydrophobicContact CD2-CD1 3.48Å; Y594-L601 VanDerWaalsContact CD2-CD1 3.48Å; Y594-L601 HydrophobicContact CE2-CD1 4.41Å; Y594-L601 HydrophobicContact CG-CD1 3.92Å; Y594-K602 CarbonylContact C-O 3.6Å; Y594-K602 VanDerWaalsContact CA-O 3.25Å; Y594-K602 WeakPolarHBondContact CA-O 3.46Å; Y594-K602 WeakPolarHBondContact CB-O 3.47Å
595	T	96.9	Very high	97.1	Very high	85 Å²	85	39.4 Å²	39.4	52%	0.521	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158.8	162	56.4	0	0	0	0	109.3	L601 K602	T595-L601 CarbonylContact O-C 3.58Å; T595-L601 WeakPolarHBondContact O-CA 3.48Å; T595-K602 PolarHBondContact N-O 3.23Å; T595-K602 PolarHBondContact O-N 3.05Å
596	G	95.4	Very high	97	Very high	38 Å²	38	41.9 Å²	41.9	39%	0.392	21%	0.214	S	C	.	.	S	Bend	trans	71.4	-178.3	-175.3	0	0	0	0	0	113.7	Y594	Y594-G596 VanDerWaalsContact CD2-O 3.27Å; Y594-G596 WeakPolarHBondContact CD2-O 3.25Å; Y594-G596 WeakPolarHBondContact CE2-O 3.47Å
597	Y	94.1	Very high	96.8	Very high	102 Å²	102	46 Å²	46	40%	0.4	23%	0.233	S	C	.	.			trans	-154.4	148.3	-175.9	-169.3	-99.6	0	0	0	110.5	V555 Q556 I559 H599 T600	V555-Y597 HydrophobicContact CB-CE1 4.04Å; V555-Y597 HydrophobicContact CB-CE2 4.4Å; V555-Y597 WeakPolarHBondContact CB-OH 3.39Å; V555-Y597 HydrophobicContact CG1-CE1 3.75Å; Q556-Y597 HydrophobicContact CB-CE2 4.38Å; Q556-Y597 PolarHBondContact N-OH 3.03Å; I559-Y597 HydrophobicContact CD1-CD2 3.46Å; I559-Y597 VanDerWaalsContact CD1-CD2 3.46Å; I559-Y597 HydrophobicContact CD1-CE2 3.88Å; I559-Y597 HydrophobicContact CD1-CG 4.34Å; Y597-H599 PolarHBondContact O-N 3.04Å; Y597-T600 PolarHBondContact N-OG1 3.04Å; Y597-T600 PolarHBondContact O-N 3.02Å; Y597-T600 PolarHBondContact O-OG1 3.44Å
598	G	93.1	Very high	96.4	Very high	8 Å²	8	50.2 Å²	50.2	8%	0.082	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	55.4	-131.7	-174.5	0	0	0	0	0	111.5	S554 T600 L601	S554-G598 WeakPolarHBondContact O-CA 3.21Å; S554-G598 PolarHBondContact O-N 3.2Å; S554-G598 VanDerWaalsContact OG-C 3.29Å; S554-G598 WeakPolarHBondContact OG-CA 3.41Å; S554-G598 PolarHBondContact OG-O 3.4Å; G598-T600 PolarHBondContact O-N 3.5Å; G598-L601 VanDerWaalsContact O-CB 3.25Å; G598-L601 WeakPolarHBondContact O-CB 3.43Å; G598-L601 PolarHBondContact O-N 3.27Å
599	H	92.1	Very high	95.8	Very high	118 Å²	118	52.1 Å²	52.1	55%	0.546	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-59.1	-14	177.3	70.9	-96.9	0	0	0	115.1	G26 Y597	G26-H599 PolarHBondContact O-CE1 3.38Å; Y597-H599 PolarHBondContact O-N 3.04Å
600	T	95.5	Very high	95.4	Very high	56 Å²	56	51.1 Å²	51.1	34%	0.344	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-95.8	-2.5	176.3	65.5	0	0	0	0	114.1	A28 Y597 G598 K602	A28-T600 HydrophobicContact CB-CG2 4.29Å; Y597-T600 PolarHBondContact N-OG1 3.04Å; Y597-T600 PolarHBondContact O-N 3.02Å; Y597-T600 PolarHBondContact O-OG1 3.44Å; G598-T600 PolarHBondContact O-N 3.5Å; T600-K602 PolarHBondContact O-N 3.45Å
601	L	97.6	Very high	95.1	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	28%	0.277	C	S	.	.			trans	-57.7	128.1	-179	175.7	65.3	0	0	0	111.7	I470 F477 I559 L562 Y594 T595 G598	I470-L601 HydrophobicContact CD1-CB 3.72Å; I470-L601 HydrophobicContact CD1-CD2 3.99Å; I470-L601 HydrophobicContact CD1-CG 4.18Å; F477-L601 HydrophobicContact CZ-CD1 4.33Å; I559-L601 HydrophobicContact CD1-CD1 4.02Å; I559-L601 HydrophobicContact CD1-CD2 4.39Å; I559-L601 HydrophobicContact CG1-CD1 3.88Å; I559-L601 HydrophobicContact CG1-CD2 3.7Å; I559-L601 HydrophobicContact CG1-CG 4.4Å; L562-L601 HydrophobicContact CD1-CD2 4.06Å; Y594-L601 HydrophobicContact CD2-CD1 3.48Å; Y594-L601 VanDerWaalsContact CD2-CD1 3.48Å; Y594-L601 HydrophobicContact CE2-CD1 4.41Å; Y594-L601 HydrophobicContact CG-CD1 3.92Å; T595-L601 CarbonylContact O-C 3.58Å; T595-L601 WeakPolarHBondContact O-CA 3.48Å; G598-L601 VanDerWaalsContact O-CB 3.25Å; G598-L601 WeakPolarHBondContact O-CB 3.43Å; G598-L601 PolarHBondContact O-N 3.27Å
602	K	98.3	Very high	94.6	Very high	93 Å²	93	55 Å²	55	40%	0.404	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.9	173.1	-70.3	-55.5	-168.3	-174.6	0	110.9	E473 Y594 T595 T600	E473-K602 HydrophobicContact CG-CD 3.76Å; E473-K602 WeakPolarHBondContact OE1-CD 3.34Å; E473-K602 IonicContact OE1-NZ 2.72Å; E473-K602 PolarHBondContact OE1-NZ 3.44Å; E473-K602 WeakPolarHBondContact OE2-CD 3.39Å; Y594-K602 CarbonylContact C-O 3.6Å; Y594-K602 VanDerWaalsContact CA-O 3.25Å; Y594-K602 WeakPolarHBondContact CA-O 3.46Å; Y594-K602 WeakPolarHBondContact CB-O 3.47Å; T595-K602 PolarHBondContact N-O 3.23Å; T595-K602 PolarHBondContact O-N 3.05Å; T600-K602 PolarHBondContact O-N 3.45Å
603	W	98.5	Very high	94.3	Very high	71 Å²	71	55.2 Å²	55.2	27%	0.269	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	144.3	169.5	173.6	80.2	0	0	0	111	E473 K476 F477 T480 S592 E605	E473-W603 PolarHBondContact OE2-N 2.88Å; K476-W603 HydrophobicContact CB-CB 3.57Å; K476-W603 HydrophobicContact CB-CD2 3.81Å; K476-W603 HydrophobicContact CB-CE3 4.18Å; K476-W603 HydrophobicContact CB-CG 3.52Å; K476-W603 HydrophobicContact CD-CB 4.28Å; F477-W603 AromaticContact CD1-CD1 3.66Å; F477-W603 HydrophobicContact CD2-CB 3.98Å; F477-W603 AromaticContact CD2-CD1 3.89Å; F477-W603 HydrophobicContact CD2-CG 4.35Å; F477-W603 AromaticContact CE1-CD1 3.95Å; F477-W603 HydrophobicContact CE2-CB 3.74Å; F477-W603 HydrophobicContact CE2-CG 4.41Å; F477-W603 AromaticContact CG-CD1 3.61Å; F477-W603 HydrophobicContact CG-CG 4.46Å; F477-W603 HydrophobicContact CZ-CB 4.15Å; T480-W603 HydrophobicContact CG2-CZ2 4.03Å; T480-W603 WeakPolarHBondContact OG1-CZ2 3.34Å; S592-W603 PolarHBondContact OG-NE1 2.91Å; W603-E605 HydrophobicContact CH2-CB 4.3Å
604	A	98.3	Very high	94.2	Very high	22 Å²	22	55.6 Å²	55.6	18%	0.182	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	151.8	171.2	0	0	0	0	0	111.7	S593	S593-A604 CarbonylContact C-O 3.53Å; S593-A604 PolarHBondContact N-O 2.92Å; S593-A604 PolarHBondContact O-N 3.24Å
605	E	97.3	Very high	93.9	Very high	145 Å²	145	56.4 Å²	56.4	68%	0.678	30%	0.297	S	S	*	.			trans	-60.2	145.7	173	-175.2	166.3	-144.9	0	0	111.3	S593 W603 Q607	S593-E605 WeakPolarHBondContact CB-O 3.31Å; S593-E605 PolarHBondContact OG-O 2.62Å; W603-E605 HydrophobicContact CH2-CB 4.3Å; E605-Q607 PolarHBondContact O-N 3.27Å; E605-Q607 VanDerWaalsContact O-N 3.1Å; E605-Q607 PolarHBondContact O-NE2 3.47Å
606	L	96.9	Very high	93.6	Very high	55 Å²	55	57.3 Å²	57.3	29%	0.288	30%	0.298	S	S	.	.			trans	-62.9	111	-169.9	-179.4	59.4	0	0	0	112.7	V590 H610	V590-L606 HydrophobicContact CB-CD1 4.38Å; V590-L606 HydrophobicContact CG1-CD1 3.72Å; V590-L606 WeakPolarHBondContact O-CD2 3.48Å; L606-H610 HydrophobicContact CD1-CB 4.28Å
607	Q	93.6	Very high	93.4	Very high	87 Å²	87	61.2 Å²	61.2	41%	0.407	31%	0.307	S	S	.	.			trans	-85.7	150.1	-179.4	-60.3	-54.8	-64.7	0	0	112.7	S593 E605 N609 H610 S611	S593-Q607 PolarHBondContact OG-N 2.97Å; E605-Q607 PolarHBondContact O-N 3.27Å; E605-Q607 VanDerWaalsContact O-N 3.1Å; E605-Q607 PolarHBondContact O-NE2 3.47Å; Q607-N609 WeakPolarHBondContact CB-OD1 3.1Å; Q607-N609 PolarHBondContact O-N 2.62Å; Q607-H610 PolarHBondContact O-N 3.37Å; Q607-S611 PolarHBondContact O-N 3.14Å; Q607-S611 VanDerWaalsContact O-N 3.12Å; Q607-S611 PolarHBondContact O-OG 3.01Å
608	P	89.4	Confident	93.3	Very high	88 Å²	88	57.2 Å²	57.2	57%	0.571	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-23	-178.5	-28.4	36	0	0	0	115.9	S611 R612	P608-S611 WeakPolarHBondContact CA-OG 3.19Å; P608-S611 PolarHBondContact O-OG 3.28Å; P608-R612 WeakPolarHBondContact O-CG 3.44Å
609	N	84.3	Confident	93.4	Very high	45 Å²	45	58.6 Å²	58.6	24%	0.241	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-42.2	179.8	73.4	-65.9	0	0	0	112.4	D531 Q607 R612	D531-N609 WeakPolarHBondContact OD1-CB 3.31Å; D531-N609 PolarHBondContact OD1-ND2 3.14Å; Q607-N609 WeakPolarHBondContact CB-OD1 3.1Å; Q607-N609 PolarHBondContact O-N 2.62Å; N609-R612 VanDerWaalsContact CA-CZ 3.5Å; N609-R612 VanDerWaalsContact O-CG 3.31Å; N609-R612 WeakPolarHBondContact O-CG 3.3Å; N609-R612 PolarHBondContact O-NH1 3.3Å
610	H	90.4	Very high	93.5	Very high	14 Å²	14	53.8 Å²	53.8	7%	0.065	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-77.6	-27.4	176.3	-56	128.8	0	0	0	112.1	M563 V590 S593 L606 Q607 R612	M563-H610 HydrophobicContact CE-CB 3.76Å; V590-H610 HydrophobicContact CG1-CB 4.38Å; S593-H610 VanDerWaalsContact CB-ND1 3.34Å; S593-H610 WeakPolarHBondContact CB-ND1 3.26Å; S593-H610 PolarHBondContact OG-ND1 2.89Å; L606-H610 HydrophobicContact CD1-CB 4.28Å; Q607-H610 PolarHBondContact O-N 3.37Å; H610-R612 VanDerWaalsContact C-N 3.26Å; H610-R612 PolarHBondContact O-N 3.01Å
611	S	91.9	Very high	93.3	Very high	35 Å²	35	56.3 Å²	56.3	25%	0.245	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-77.7	-2.9	179.1	68.5	0	0	0	0	114.6	Q607 P608 Q613 N614	Q607-S611 PolarHBondContact O-N 3.14Å; Q607-S611 VanDerWaalsContact O-N 3.12Å; Q607-S611 PolarHBondContact O-OG 3.01Å; P608-S611 WeakPolarHBondContact CA-OG 3.19Å; P608-S611 PolarHBondContact O-OG 3.28Å; S611-Q613 PolarHBondContact O-N 3.03Å; S611-N614 VanDerWaalsContact O-CB 3.26Å; S611-N614 WeakPolarHBondContact O-CB 3.38Å; S611-N614 PolarHBondContact O-N 3.38Å
612	R	89.2	Confident	93.2	Very high	59 Å²	59	56.2 Å²	56.2	22%	0.223	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-56.4	-35.9	-176.3	-66.1	-176.1	-162.7	107.4	-1.2	113.4	D531 P608 N609 H610 N614 T615 F618	D531-R612 PolarHBondContact O-NH1 3.39Å; D531-R612 IonicContact OD1-CZ 3.68Å; D531-R612 IonicContact OD1-NH1 3.78Å; D531-R612 PolarHBondContact OD1-NH1 3.42Å; D531-R612 IonicContact OD1-NH2 2.74Å; P608-R612 WeakPolarHBondContact O-CG 3.44Å; N609-R612 VanDerWaalsContact CA-CZ 3.5Å; N609-R612 VanDerWaalsContact O-CG 3.31Å; N609-R612 WeakPolarHBondContact O-CG 3.3Å; N609-R612 PolarHBondContact O-NH1 3.3Å; H610-R612 VanDerWaalsContact C-N 3.26Å; H610-R612 PolarHBondContact O-N 3.01Å; R612-N614 PolarHBondContact O-N 3.4Å; R612-T615 WeakPolarHBondContact O-CB 3.38Å; R612-T615 PolarHBondContact O-OG1 3.06Å; R612-F618 WeakPolarHBondContact O-CD2 3.06Å; R612-F618 WeakPolarHBondContact O-CE2 3.48Å
613	Q	92.1	Very high	93.1	Very high	3 Å²	3	52.7 Å²	52.7	1%	0.014	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-68.5	-19.1	177.7	65.5	172.1	72.2	0	0	113.8	A533 A588 V590 S611 T615 L625 V627	A533-Q613 HydrophobicContact CB-CB 4.16Å; A588-Q613 PolarHBondContact O-NE2 3.37Å; V590-Q613 HydrophobicContact CG2-CG 3.42Å; V590-Q613 VanDerWaalsContact CG2-CG 3.42Å; S611-Q613 PolarHBondContact O-N 3.03Å; Q613-T615 VanDerWaalsContact C-N 3.29Å; Q613-T615 PolarHBondContact O-N 2.96Å; Q613-L625 WeakPolarHBondContact O-CD1 3.22Å; Q613-L625 WeakPolarHBondContact O-CD2 3.5Å; Q613-V627 HydrophobicContact CB-CB 4.44Å; Q613-V627 HydrophobicContact CB-CG2 3.65Å
614	N	95.3	Very high	93	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.053	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-78	-11.2	-177.9	-64.1	-13.4	0	0	0	114.1	Y589 V590 S611 R612 N616	Y589-N614 HydrophobicContact CD2-CB 4.15Å; Y589-N614 HydrophobicContact CE1-CB 4.26Å; Y589-N614 WeakPolarHBondContact CE1-ND2 3.5Å; Y589-N614 HydrophobicContact CE2-CB 3.56Å; V590-N614 PolarHBondContact N-OD1 3.24Å; V590-N614 PolarHBondContact O-ND2 2.88Å; S611-N614 VanDerWaalsContact O-CB 3.26Å; S611-N614 WeakPolarHBondContact O-CB 3.38Å; S611-N614 PolarHBondContact O-N 3.38Å; R612-N614 PolarHBondContact O-N 3.4Å; N614-N616 PolarHBondContact O-N 3.14Å
615	T	92.3	Very high	92.9	Very high	48 Å²	48	48.2 Å²	48.2	29%	0.294	24%	0.243	S	C	.	.			trans	-47.4	122.9	177.7	-57.8	0	0	0	0	111.1	R612 Q613 E617 F618	R612-T615 WeakPolarHBondContact O-CB 3.38Å; R612-T615 PolarHBondContact O-OG1 3.06Å; Q613-T615 VanDerWaalsContact C-N 3.29Å; Q613-T615 PolarHBondContact O-N 2.96Å; T615-E617 VanDerWaalsContact C-N 3.28Å; T615-E617 HydrophobicContact CG2-CB 4.09Å; T615-E617 WeakPolarHBondContact CG2-OE2 3.34Å; T615-E617 PolarHBondContact O-N 3.42Å; T615-F618 HydrophobicContact CG2-CD1 4.09Å; T615-F618 HydrophobicContact CG2-CD2 4.01Å; T615-F618 HydrophobicContact CG2-CE1 4.14Å; T615-F618 HydrophobicContact CG2-CE2 4.06Å; T615-F618 HydrophobicContact CG2-CG 4Å; T615-F618 HydrophobicContact CG2-CZ 4.12Å; T615-F618 WeakPolarHBondContact O-CA 3.14Å; T615-F618 WeakPolarHBondContact O-CB 3.32Å; T615-F618 PolarHBondContact O-N 3.41Å
616	N	90.6	Very high	92.9	Very high	103 Å²	103	43 Å²	43	55%	0.551	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-68.7	-29.8	-171.9	-79	-43.7	0	0	0	112.5	N614 F618 R619	N614-N616 PolarHBondContact O-N 3.14Å; N616-F618 PolarHBondContact O-N 3.44Å; N616-R619 WeakPolarHBondContact O-CB 3.22Å; N616-R619 WeakPolarHBondContact O-CG 3.07Å; N616-R619 PolarHBondContact O-N 3.05Å; N616-R619 PolarHBondContact OD1-NE 2.98Å; N616-R619 PolarHBondContact OD1-NH2 2.88Å
617	E	90.5	Very high	92.8	Very high	121 Å²	121	40.6 Å²	40.6	57%	0.565	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-61.6	-22.8	172.1	-61.3	65.9	-150.1	0	0	111.3	T615 R619 R626	T615-E617 VanDerWaalsContact C-N 3.28Å; T615-E617 HydrophobicContact CG2-CB 4.09Å; T615-E617 WeakPolarHBondContact CG2-OE2 3.34Å; T615-E617 PolarHBondContact O-N 3.42Å; E617-R619 VanDerWaalsContact C-N 3.29Å; E617-R626 PolarHBondContact O-NH2 2.98Å
618	F	93.3	Very high	93	Very high	18 Å²	18	36.4 Å²	36.4	8%	0.079	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-84.6	4.4	174.1	-60.3	-13.3	0	0	0	113	L273 V277 A533 L534 R612 T615 N616 R626	L273-F618 HydrophobicContact CD1-CE2 3.91Å; L273-F618 HydrophobicContact CD1-CZ 3.86Å; L273-F618 HydrophobicContact CD2-CE2 4.2Å; L273-F618 HydrophobicContact CD2-CZ 4.03Å; L273-F618 HydrophobicContact CG-CZ 4.16Å; V277-F618 HydrophobicContact CG2-CE1 3.81Å; V277-F618 HydrophobicContact CG2-CZ 4.35Å; A533-F618 HydrophobicContact CB-CD2 4.08Å; A533-F618 HydrophobicContact CB-CE2 4.05Å; L534-F618 HydrophobicContact CD1-CD1 3.96Å; L534-F618 HydrophobicContact CD1-CE1 3.95Å; L534-F618 HydrophobicContact CD1-CG 4.37Å; L534-F618 HydrophobicContact CD1-CZ 4.33Å; L534-F618 HydrophobicContact CD2-CB 3.86Å; L534-F618 HydrophobicContact CD2-CD1 4.08Å; L534-F618 HydrophobicContact CD2-CD2 4.34Å; L534-F618 HydrophobicContact CD2-CG 3.84Å; L534-F618 HydrophobicContact CG-CD1 4.24Å; L534-F618 HydrophobicContact CG-CD2 4.27Å; L534-F618 HydrophobicContact CG-CG 4.14Å; R612-F618 WeakPolarHBondContact O-CD2 3.06Å; R612-F618 WeakPolarHBondContact O-CE2 3.48Å; T615-F618 HydrophobicContact CG2-CD1 4.09Å; T615-F618 HydrophobicContact CG2-CD2 4.01Å; T615-F618 HydrophobicContact CG2-CE1 4.14Å; T615-F618 HydrophobicContact CG2-CE2 4.06Å; T615-F618 HydrophobicContact CG2-CG 4Å; T615-F618 HydrophobicContact CG2-CZ 4.12Å; T615-F618 WeakPolarHBondContact O-CA 3.14Å; T615-F618 WeakPolarHBondContact O-CB 3.32Å; T615-F618 PolarHBondContact O-N 3.41Å; N616-F618 PolarHBondContact O-N 3.44Å; F618-R626 WeakPolarHBondContact O-CB 3.43Å; F618-R626 WeakPolarHBondContact O-CG 3.46Å; F618-R626 PolarHBondContact O-N 2.88Å; F618-R626 PolarHBondContact O-NE 2.98Å
619	R	93.8	Very high	93.5	Very high	37 Å²	37	32.5 Å²	32.5	14%	0.14	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-71.6	150.7	171.7	-67.6	178.2	-171.1	-84.7	2.3	112.5	H439 D491 N616 E617 G623 R624 L625 R626	H439-R619 PolarHBondContact NE2-NH1 3.1Å; D491-R619 PolarHBondContact O-NH1 2.85Å; D491-R619 PolarHBondContact O-NH2 3.15Å; N616-R619 WeakPolarHBondContact O-CB 3.22Å; N616-R619 WeakPolarHBondContact O-CG 3.07Å; N616-R619 PolarHBondContact O-N 3.05Å; N616-R619 PolarHBondContact OD1-NE 2.98Å; N616-R619 PolarHBondContact OD1-NH2 2.88Å; E617-R619 VanDerWaalsContact C-N 3.29Å; R619-G623 PolarHBondContact NH1-O 2.68Å; R619-R624 CarbonylContact C-O 3.45Å; R619-R624 VanDerWaalsContact CA-O 3.22Å; R619-R624 WeakPolarHBondContact CA-O 3.48Å; R619-L625 HydrophobicContact CG-CD2 3.81Å; R619-R626 PolarHBondContact O-NE 3.15Å
620	D	94.1	Very high	94.2	Very high	16 Å²	16	30.3 Å²	30.3	9%	0.086	15%	0.148	C	C	.	.			trans	-88.2	176.4	166.1	71.4	12	0	0	0	111.7	F622 G623 R624 R626	D620-F622 PolarHBondContact O-N 3.06Å; D620-F622 VanDerWaalsContact OD1-CA 3.31Å; D620-F622 WeakPolarHBondContact OD1-CA 3.49Å; D620-F622 WeakPolarHBondContact OD1-CB 3.44Å; D620-F622 PolarHBondContact OD1-N 2.61Å; D620-G623 PolarHBondContact O-N 2.98Å; D620-G623 PolarHBondContact OD1-N 3.39Å; D620-R624 PolarHBondContact N-O 3.26Å; D620-R624 PolarHBondContact OD1-N 3.34Å; D620-R624 IonicContact OD1-NE 3.41Å; D620-R624 IonicContact OD2-CZ 2.7Å; D620-R624 VanDerWaalsContact OD2-CZ 3.23Å; D620-R624 IonicContact OD2-NE 2.73Å; D620-R624 PolarHBondContact OD2-NE 3.38Å; D620-R624 IonicContact OD2-NH2 2.68Å; D620-R624 PolarHBondContact OD2-NH2 3.05Å; D620-R626 HydrophobicContact CB-CG 3.9Å
621	R	92.8	Very high	94.6	Very high	110 Å²	110	29.7 Å²	29.7	42%	0.415	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-6.9	176.9	63	170.3	169.6	-119.1	0.4	115.1	T286 D290 N292	T286-R621 PolarHBondContact OG1-NH1 2.71Å; T286-R621 PolarHBondContact OG1-NH2 2.81Å; D290-R621 IonicContact OD1-CZ 3.21Å; D290-R621 IonicContact OD1-NE 2.87Å; D290-R621 IonicContact OD1-NH2 3.7Å; D290-R621 PolarHBondContact OD1-NH2 2.75Å; D290-R621 IonicContact OD2-NH2 2.6Å; D290-R621 PolarHBondContact OD2-NH2 3.37Å; N292-R621 PolarHBondContact ND2-NE 3.24Å; N292-R621 VanDerWaalsContact ND2-NE 3.12Å
622	F	95	Very high	94.9	Very high	1 Å²	1	28 Å²	28	0%	0.004	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	4.8	175.5	-53.7	-52.7	0	0	0	112.2	T286 D290 L291 N292 I305 F308 D620 R624	T286-F622 HydrophobicContact CG2-CD2 4.02Å; T286-F622 HydrophobicContact CG2-CE2 3.51Å; T286-F622 HydrophobicContact CG2-CZ 4.49Å; D290-F622 WeakPolarHBondContact OD1-CE2 3.36Å; D290-F622 VanDerWaalsContact OD1-CZ 3.28Å; D290-F622 WeakPolarHBondContact OD1-CZ 3.36Å; L291-F622 HydrophobicContact CB-CD1 4.09Å; L291-F622 HydrophobicContact CB-CE1 3.66Å; L291-F622 HydrophobicContact CB-CE2 4.19Å; L291-F622 HydrophobicContact CB-CZ 3.69Å; L291-F622 HydrophobicContact CD1-CB 4.28Å; L291-F622 HydrophobicContact CD1-CD1 3.9Å; L291-F622 HydrophobicContact CD1-CD2 4.45Å; L291-F622 HydrophobicContact CD1-CE1 4.35Å; L291-F622 HydrophobicContact CD1-CG 3.95Å; L291-F622 HydrophobicContact CG-CD1 4.17Å; L291-F622 HydrophobicContact CG-CD2 4.22Å; L291-F622 HydrophobicContact CG-CE1 4.19Å; L291-F622 HydrophobicContact CG-CE2 4.2Å; L291-F622 HydrophobicContact CG-CG 4.18Å; L291-F622 HydrophobicContact CG-CZ 4.18Å; N292-F622 WeakPolarHBondContact ND2-CZ 3.49Å; I305-F622 HydrophobicContact CD1-CB 3.85Å; I305-F622 HydrophobicContact CD1-CD1 4.21Å; I305-F622 HydrophobicContact CD1-CG 4.44Å; F308-F622 HydrophobicContact CD2-CD1 4.31Å; F308-F622 AromaticContact CD2-CE1 3.95Å; F308-F622 HydrophobicContact CD2-CE1 3.95Å; F308-F622 HydrophobicContact CE2-CD1 4.34Å; F308-F622 AromaticContact CE2-CE1 3.58Å; F308-F622 HydrophobicContact CE2-CE1 3.58Å; F308-F622 HydrophobicContact CZ-CE1 4.1Å; D620-F622 PolarHBondContact O-N 3.06Å; D620-F622 VanDerWaalsContact OD1-CA 3.31Å; D620-F622 WeakPolarHBondContact OD1-CA 3.49Å; D620-F622 WeakPolarHBondContact OD1-CB 3.44Å; D620-F622 PolarHBondContact OD1-N 2.61Å; F622-R624 VanDerWaalsContact C-N 3.28Å; F622-R624 HydrophobicContact CB-CG 4.16Å
623	G	95.3	Very high	95.3	Very high	18 Å²	18	25.3 Å²	25.3	19%	0.186	12%	0.123	C	C	.	.	S	Bend	trans	78.6	7.6	-178.9	0	0	0	0	0	113.9	G492 A493 R619 D620	G492-G623 VanDerWaalsContact CA-O 3.23Å; G492-G623 WeakPolarHBondContact CA-O 3.33Å; A493-G623 PolarHBondContact N-O 3.31Å; R619-G623 PolarHBondContact NH1-O 2.68Å; D620-G623 PolarHBondContact O-N 2.98Å; D620-G623 PolarHBondContact OD1-N 3.39Å
624	R	97.1	Very high	95.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.			trans	-89.2	136.8	-177.6	-49.2	177.6	-60.1	-168.1	3.5	109.5	L287 P289 A493 S495 V586 R619 D620 F622 R626	L287-R624 PolarHBondContact O-NH2 3.45Å; P289-R624 PolarHBondContact O-NH1 2.84Å; P289-R624 PolarHBondContact O-NH2 3.38Å; A493-R624 HydrophobicContact CB-CG 4.1Å; A493-R624 WeakPolarHBondContact O-CA 3.37Å; A493-R624 WeakPolarHBondContact O-CG 3.4Å; S495-R624 WeakPolarHBondContact OG-CD 3.49Å; S495-R624 PolarHBondContact OG-NH1 3.17Å; V586-R624 HydrophobicContact CG1-CB 4.17Å; R619-R624 CarbonylContact C-O 3.45Å; R619-R624 VanDerWaalsContact CA-O 3.22Å; R619-R624 WeakPolarHBondContact CA-O 3.48Å; D620-R624 PolarHBondContact N-O 3.26Å; D620-R624 PolarHBondContact OD1-N 3.34Å; D620-R624 IonicContact OD1-NE 3.41Å; D620-R624 IonicContact OD2-CZ 2.7Å; D620-R624 VanDerWaalsContact OD2-CZ 3.23Å; D620-R624 IonicContact OD2-NE 2.73Å; D620-R624 PolarHBondContact OD2-NE 3.38Å; D620-R624 IonicContact OD2-NH2 2.68Å; D620-R624 PolarHBondContact OD2-NH2 3.05Å; F622-R624 VanDerWaalsContact C-N 3.28Å; F622-R624 HydrophobicContact CB-CG 4.16Å; R624-R626 PolarHBondContact O-N 2.95Å
625	L	96.6	Very high	95.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-58.1	135.6	170.6	-53.7	171.1	0	0	0	109.3	G587 Y589 Q613 R619 V627	G587-L625 WeakPolarHBondContact CA-O 3.08Å; G587-L625 PolarHBondContact N-O 2.95Å; Y589-L625 HydrophobicContact CD2-CD1 3.91Å; Y589-L625 HydrophobicContact CG-CD1 4.45Å; Q613-L625 WeakPolarHBondContact O-CD1 3.22Å; Q613-L625 WeakPolarHBondContact O-CD2 3.5Å; R619-L625 HydrophobicContact CG-CD2 3.81Å; L625-V627 PolarHBondContact O-N 2.86Å
626	R	95.9	Very high	95.9	Very high	34 Å²	34	26.1 Å²	26.1	13%	0.128	13%	0.126	C	C	.	.	S	Bend	trans	-77.4	50.7	-179.4	-72	177.3	-74.9	168.6	-2.1	112.4	F280 L287 L534 E617 F618 R619 D620 R624	F280-R626 HydrophobicContact CD1-CB 4.43Å; F280-R626 HydrophobicContact CD1-CG 4.34Å; F280-R626 HydrophobicContact CE1-CB 3.97Å; F280-R626 HydrophobicContact CE1-CG 4.11Å; F280-R626 HydrophobicContact CZ-CB 4.29Å; L287-R626 HydrophobicContact CD1-CB 4.39Å; L534-R626 VanDerWaalsContact CA-O 3.25Å; L534-R626 WeakPolarHBondContact CA-O 3.49Å; L534-R626 HydrophobicContact CD2-CB 3.57Å; L534-R626 PolarHBondContact N-O 3.31Å; E617-R626 PolarHBondContact O-NH2 2.98Å; F618-R626 WeakPolarHBondContact O-CB 3.43Å; F618-R626 WeakPolarHBondContact O-CG 3.46Å; F618-R626 PolarHBondContact O-N 2.88Å; F618-R626 PolarHBondContact O-NE 2.98Å; R619-R626 PolarHBondContact O-NE 3.15Å; D620-R626 HydrophobicContact CB-CG 3.9Å; R624-R626 PolarHBondContact O-N 2.95Å
627	V	95.9	Very high	96.1	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.03	10%	0.102	C	C	.	.			trans	-124.4	130.4	166.5	174.5	0	0	0	0	107.9	A533 Q537 V586 G587 Q613 L625	A533-V627 HydrophobicContact CB-CG2 4.18Å; Q537-V627 HydrophobicContact CG-CG1 4.2Å; V586-V627 WeakPolarHBondContact CA-O 3.41Å; G587-V627 PolarHBondContact N-O 3.34Å; Q613-V627 HydrophobicContact CB-CB 4.44Å; Q613-V627 HydrophobicContact CB-CG2 3.65Å; L625-V627 PolarHBondContact O-N 2.86Å
628	E	98.3	Very high	96.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.2	164.7	170.8	172.9	-113.9	0	0	108.5	L287 R497 C535 T536 Q537 S584 I585 V586 I630 S667 Q668	L287-E628 HydrophobicContact CD2-CB 4.36Å; R497-E628 IonicContact NH2-OE1 2.7Å; R497-E628 PolarHBondContact NH2-OE1 3.38Å; R497-E628 VanDerWaalsContact NH2-OE1 3.14Å; C535-E628 PolarHBondContact O-N 2.72Å; T536-E628 CarbonylContact C-O 3.45Å; T536-E628 WeakPolarHBondContact CB-OE2 3.47Å; T536-E628 HydrophobicContact CG2-CG 4.13Å; T536-E628 WeakPolarHBondContact CG2-OE2 3.21Å; T536-E628 PolarHBondContact OG1-OE2 3.17Å; Q537-E628 PolarHBondContact N-O 3.07Å; S584-E628 VanDerWaalsContact CB-OE1 3.29Å; S584-E628 WeakPolarHBondContact CB-OE1 3.25Å; S584-E628 PolarHBondContact OG-OE1 2.97Å; I585-E628 CarbonylContact O-C 3.14Å; I585-E628 WeakPolarHBondContact O-CA 3.42Å; V586-E628 HydrophobicContact CG2-CB 3.98Å; V586-E628 HydrophobicContact CG2-CG 4.27Å; E628-I630 HydrophobicContact CG-CB 4.34Å; E628-S667 PolarHBondContact OE1-OG 2.78Å; E628-Q668 VanDerWaalsContact CD-NE2 3.3Å; E628-Q668 PolarHBondContact OE1-NE2 2.73Å; E628-Q668 WeakPolarHBondContact OE2-CG 3.3Å
629	T	98.7	Very high	96.2	Very high	5 Å²	5	22 Å²	22	3%	0.031	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.4	157.2	-59.4	0	0	0	0	107.8	Q537 D539 R560 M567 I585	Q537-T629 CarbonylContact O-C 3.26Å; Q537-T629 VanDerWaalsContact O-CA 3.29Å; Q537-T629 WeakPolarHBondContact O-CA 3.03Å; Q537-T629 PolarHBondContact OE1-OG1 3.3Å; D539-T629 HydrophobicContact CB-CG2 3.63Å; R560-T629 HydrophobicContact CG-CG2 4.4Å; R560-T629 PolarHBondContact NE-OG1 3.17Å; R560-T629 PolarHBondContact NH2-OG1 2.92Å; M567-T629 HydrophobicContact CE-CG2 3.57Å; I585-T629 PolarHBondContact N-O 3.07Å; I585-T629 PolarHBondContact O-N 3.06Å
630	I	98.7	Very high	96.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	111.4	-177.5	-172.9	71.6	0	0	0	110.4	T536 Q537 V538 D539 A582 E628	T536-I630 HydrophobicContact CG2-CB 3.99Å; T536-I630 HydrophobicContact CG2-CG2 3.35Å; Q537-I630 PolarHBondContact O-N 2.68Å; V538-I630 HydrophobicContact CB-CG2 4.49Å; V538-I630 HydrophobicContact CG2-CG2 4.05Å; D539-I630 PolarHBondContact N-O 2.93Å; A582-I630 HydrophobicContact CB-CD1 4.25Å; E628-I630 HydrophobicContact CG-CB 4.34Å
631	A	98.8	Very high	96.2	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	122.6	176.1	0	0	0	0	0	110.6	D539 A541 L545 M577 I583	D539-A631 HydrophobicContact CB-CB 4.38Å; D539-A631 WeakPolarHBondContact OD2-CB 3.48Å; A541-A631 HydrophobicContact CB-CB 3.75Å; L545-A631 HydrophobicContact CD1-CB 3.36Å; M577-A631 HydrophobicContact CE-CB 4.29Å; I583-A631 HydrophobicContact CB-CB 4.25Å; I583-A631 PolarHBondContact N-O 2.88Å; I583-A631 PolarHBondContact O-N 3.26Å
632	I	98.8	Very high	96.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.			trans	-135.1	118.5	172.2	45.6	167.5	0	0	0	110.4	V538 D539 A541 A582 K660 A661 F665 W682	V538-I632 HydrophobicContact CG1-CD1 3.82Å; V538-I632 HydrophobicContact CG1-CG1 3.78Å; D539-I632 PolarHBondContact O-N 3.25Å; A541-I632 PolarHBondContact N-O 3.33Å; A582-I632 HydrophobicContact CB-CG2 3.84Å; I632-K660 HydrophobicContact CB-CD 4.02Å; I632-K660 HydrophobicContact CB-CG 4.1Å; I632-K660 HydrophobicContact CG2-CD 3.99Å; I632-K660 HydrophobicContact CG2-CG 4.31Å; I632-A661 HydrophobicContact CD1-CB 4.22Å; I632-F665 HydrophobicContact CD1-CE1 3.85Å; I632-F665 HydrophobicContact CD1-CZ 4.36Å; I632-W682 HydrophobicContact CB-CZ2 4.28Å; I632-W682 HydrophobicContact CD1-CD2 4.21Å; I632-W682 HydrophobicContact CD1-CZ2 4.02Å; I632-W682 HydrophobicContact CG1-CZ2 4.29Å; I632-W682 PolarHBondContact O-NE1 2.84Å
633	D	98.4	Very high	96.2	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-75.8	134.6	176.2	55.3	-79.9	0	0	0	112.8	A541 E543 M577 R656 K660 W682	A541-D633 VanDerWaalsContact O-CA 3.26Å; A541-D633 WeakPolarHBondContact O-CA 3.17Å; E543-D633 HydrophobicContact CB-CB 4.04Å; M577-D633 WeakPolarHBondContact CB-OD1 3.37Å; M577-D633 HydrophobicContact CE-CB 4.18Å; M577-D633 WeakPolarHBondContact CE-OD1 3.3Å; D633-R656 PolarHBondContact O-NH1 2.88Å; D633-R656 IonicContact OD2-CZ 3.55Å; D633-R656 IonicContact OD2-NH1 3.71Å; D633-R656 PolarHBondContact OD2-NH1 2.87Å; D633-R656 IonicContact OD2-NH2 2.66Å; D633-R656 PolarHBondContact OD2-NH2 3.06Å; D633-K660 WeakPolarHBondContact O-CG 3.44Å; D633-K660 WeakPolarHBondContact OD1-CE 3.48Å; D633-K660 IonicContact OD1-NZ 3.08Å; D633-K660 PolarHBondContact OD1-NZ 2.94Å; D633-K660 WeakPolarHBondContact OD2-CE 3.32Å; D633-K660 IonicContact OD2-NZ 3.96Å; D633-K660 PolarHBondContact OD2-NZ 3.33Å; D633-W682 WeakPolarHBondContact O-CZ2 3.38Å
634	A	98.2	Very high	96.2	Very high	7 Å²	7	30.3 Å²	30.3	6%	0.058	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-86.3	167.7	169	0	0	0	0	0	111.2	W682 F687 K694	A634-W682 HydrophobicContact CB-CZ2 4.05Å; A634-F687 HydrophobicContact CB-CD2 3.77Å; A634-F687 HydrophobicContact CB-CE2 4.38Å; A634-F687 WeakPolarHBondContact O-CD2 3.38Å; A634-F687 VanDerWaalsContact O-CE2 3.29Å; A634-F687 WeakPolarHBondContact O-CE2 3.35Å; A634-K694 VanDerWaalsContact CB-NZ 3.29Å
635	I	97.8	Very high	96.1	Very high	33 Å²	33	30.5 Å²	30.5	17%	0.169	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-74.7	133.3	162.7	-61.6	171.3	0	0	0	108.9	F637 N653 R656 E657	I635-F637 HydrophobicContact CB-CD2 4.31Å; I635-F637 HydrophobicContact CB-CE1 4.26Å; I635-F637 HydrophobicContact CB-CE2 3.54Å; I635-F637 HydrophobicContact CB-CZ 3.51Å; I635-F637 HydrophobicContact CD1-CZ 3.98Å; I635-F637 HydrophobicContact CG1-CZ 4.32Å; I635-F637 HydrophobicContact CG2-CD1 4.08Å; I635-F637 HydrophobicContact CG2-CD2 4.13Å; I635-F637 HydrophobicContact CG2-CE1 3.65Å; I635-F637 HydrophobicContact CG2-CE2 3.69Å; I635-F637 HydrophobicContact CG2-CG 4.31Å; I635-F637 HydrophobicContact CG2-CZ 3.43Å; I635-F637 VanDerWaalsContact CG2-CZ 3.43Å; I635-F637 WeakPolarHBondContact O-CD2 3.27Å; I635-F637 WeakPolarHBondContact O-CE2 3.39Å; I635-N653 HydrophobicContact CD1-CB 3.98Å; I635-R656 HydrophobicContact CD1-CB 4.38Å; I635-R656 HydrophobicContact CD1-CG 4.12Å; I635-R656 VanDerWaalsContact CG1-NE 3.31Å; I635-E657 HydrophobicContact CD1-CG 4.15Å; I635-E657 HydrophobicContact CG1-CG 4.39Å; I635-E657 PolarHBondContact N-OE1 2.9Å; I635-E657 PolarHBondContact N-OE2 3.46Å
636	L	96.1	Very high	96	Very high	38 Å²	38	32.2 Å²	32.2	20%	0.199	18%	0.176	C	C	.	.			trans	-82	112	166.9	165.9	57.5	0	0	0	109.3	K638 A686 F687	L636-K638 HydrophobicContact CD1-CG 4.43Å; L636-K638 HydrophobicContact CG-CG 4.14Å; L636-A686 WeakPolarHBondContact CD1-O 3.37Å; L636-F687 HydrophobicContact CB-CD1 4.33Å; L636-F687 HydrophobicContact CB-CD2 4.03Å; L636-F687 HydrophobicContact CB-CE2 4.38Å; L636-F687 HydrophobicContact CB-CG 4.02Å; L636-F687 HydrophobicContact CD1-CB 4.46Å; L636-F687 HydrophobicContact CD1-CD1 4.32Å; L636-F687 HydrophobicContact CD1-CG 4.41Å
637	F	95.1	Very high	96	Very high	11 Å²	11	34.9 Å²	34.9	5%	0.048	19%	0.191	C	C	.	.			trans	-91.8	133.9	176	-62.4	-83.6	0	0	0	110.7	I635 C644 E647 Q648 N653 F687 N688	I635-F637 HydrophobicContact CB-CD2 4.31Å; I635-F637 HydrophobicContact CB-CE1 4.26Å; I635-F637 HydrophobicContact CB-CE2 3.54Å; I635-F637 HydrophobicContact CB-CZ 3.51Å; I635-F637 HydrophobicContact CD1-CZ 3.98Å; I635-F637 HydrophobicContact CG1-CZ 4.32Å; I635-F637 HydrophobicContact CG2-CD1 4.08Å; I635-F637 HydrophobicContact CG2-CD2 4.13Å; I635-F637 HydrophobicContact CG2-CE1 3.65Å; I635-F637 HydrophobicContact CG2-CE2 3.69Å; I635-F637 HydrophobicContact CG2-CG 4.31Å; I635-F637 HydrophobicContact CG2-CZ 3.43Å; I635-F637 VanDerWaalsContact CG2-CZ 3.43Å; I635-F637 WeakPolarHBondContact O-CD2 3.27Å; I635-F637 WeakPolarHBondContact O-CE2 3.39Å; F637-C644 HydrophobicContact CB-CB 3.94Å; F637-E647 HydrophobicContact CD1-CB 3.81Å; F637-E647 HydrophobicContact CE1-CB 4.02Å; F637-Q648 HydrophobicContact CD1-CG 3.79Å; F637-Q648 HydrophobicContact CD2-CG 3.53Å; F637-Q648 HydrophobicContact CE1-CB 4.46Å; F637-Q648 HydrophobicContact CE1-CG 3.55Å; F637-Q648 HydrophobicContact CE2-CG 3.27Å; F637-Q648 HydrophobicContact CG-CG 3.78Å; F637-Q648 HydrophobicContact CZ-CB 4.36Å; F637-Q648 HydrophobicContact CZ-CG 3.28Å; F637-N653 HydrophobicContact CZ-CB 4.45Å; F637-F687 PolarHBondContact N-O 3.39Å; F637-N688 HydrophobicContact CB-CB 4.45Å; F637-N688 PolarHBondContact O-ND2 3.28Å
638	K	92.6	Very high	96	Very high	94 Å²	94	35 Å²	35	41%	0.409	19%	0.191	S	C	.	.			trans	-124.3	140.9	-175.9	-54.8	178.2	-169.9	177	0	108.7	D15 D18 L636	D15-K638 IonicContact OD1-NZ 2.71Å; D15-K638 PolarHBondContact OD1-NZ 2.72Å; D18-K638 WeakPolarHBondContact OD2-CE 3.42Å; D18-K638 IonicContact OD2-NZ 3.45Å; D18-K638 PolarHBondContact OD2-NZ 3.23Å; L636-K638 HydrophobicContact CD1-CG 4.43Å; L636-K638 HydrophobicContact CG-CG 4.14Å
639	G	92.6	Very high	95.9	Very high	51 Å²	51	35.5 Å²	35.5	53%	0.526	19%	0.193	S	C	.	.	S	Bend	trans	128.7	-164.2	-176	0	0	0	0	0	113.3
640	S	94.3	Very high	95.8	Very high	59 Å²	59	37.8 Å²	37.8	41%	0.413	21%	0.205	S	C	.	.			trans	-73.7	168.5	171.5	80.6	0	0	0	0	111.5	L642 D643 C644	S640-L642 PolarHBondContact O-N 2.97Å; S640-L642 VanDerWaalsContact O-N 3.16Å; S640-L642 PolarHBondContact OG-N 2.73Å; S640-D643 WeakPolarHBondContact CA-OD2 3.23Å; S640-D643 WeakPolarHBondContact CB-OD2 3.41Å; S640-D643 PolarHBondContact N-OD2 3.3Å; S640-D643 PolarHBondContact O-N 2.81Å; S640-D643 VanDerWaalsContact O-N 3.09Å; S640-D643 PolarHBondContact OG-N 3.23Å; S640-D643 PolarHBondContact OG-OD2 2.74Å; S640-C644 PolarHBondContact O-N 2.66Å; S640-C644 PolarHBondContact O-SG 2.9Å
641	K	92.8	Very high	95.6	Very high	154 Å²	154	42.7 Å²	42.7	67%	0.67	23%	0.227	S	C	*	.	H	α-helix	trans	-58.9	-27.4	175.4	-64.4	-165.9	176.2	-170.2	0	113.5	Q645 H753	K641-Q645 VanDerWaalsContact O-CB 3.26Å; K641-Q645 WeakPolarHBondContact O-CB 3.11Å; K641-Q645 PolarHBondContact O-N 2.99Å; K641-H753 HydrophobicContact CB-CB 4.15Å; K641-H753 PolarHBondContact O-CD2 2.86Å
642	L	94.9	Very high	95.4	Very high	54 Å²	54	46.1 Å²	46.1	28%	0.283	26%	0.255	S	S	.	.	H	α-helix	trans	-77.3	-40.9	175.1	177	57.2	0	0	0	111.2	S640 Q645 T646 P750 H753	S640-L642 PolarHBondContact O-N 2.97Å; S640-L642 VanDerWaalsContact O-N 3.16Å; S640-L642 PolarHBondContact OG-N 2.73Å; L642-Q645 PolarHBondContact O-N 3.02Å; L642-T646 VanDerWaalsContact O-CB 3.26Å; L642-T646 WeakPolarHBondContact O-CB 3.48Å; L642-T646 PolarHBondContact O-N 3.33Å; L642-T646 PolarHBondContact O-OG1 3.22Å; L642-P750 HydrophobicContact CD1-CB 4.49Å; L642-P750 HydrophobicContact CD1-CG 3.94Å; L642-H753 HydrophobicContact CB-CB 4.27Å
643	D	94.4	Very high	95.3	Very high	81 Å²	81	47.8 Å²	47.8	43%	0.433	26%	0.264	S	S	.	.	H	α-helix	trans	-65	-48.7	178.8	-47.5	-47.7	0	0	0	110.1	S640 Q645 T646 E647	S640-D643 WeakPolarHBondContact CA-OD2 3.23Å; S640-D643 WeakPolarHBondContact CB-OD2 3.41Å; S640-D643 PolarHBondContact N-OD2 3.3Å; S640-D643 PolarHBondContact O-N 2.81Å; S640-D643 VanDerWaalsContact O-N 3.09Å; S640-D643 PolarHBondContact OG-N 3.23Å; S640-D643 PolarHBondContact OG-OD2 2.74Å; D643-Q645 VanDerWaalsContact C-N 3.33Å; D643-Q645 PolarHBondContact O-N 2.95Å; D643-T646 PolarHBondContact O-N 3.15Å; D643-T646 VanDerWaalsContact O-N 3.16Å; D643-E647 WeakPolarHBondContact O-CB 3.38Å; D643-E647 PolarHBondContact O-N 3.47Å
644	C	94.8	Very high	95.2	Very high	9 Å²	9	47.8 Å²	47.8	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-38.5	176.2	-65.8	0	0	0	0	112.6	F637 S640 Q648	F637-C644 HydrophobicContact CB-CB 3.94Å; S640-C644 PolarHBondContact O-N 2.66Å; S640-C644 PolarHBondContact O-SG 2.9Å; C644-Q648 VanDerWaalsContact O-CB 3.31Å; C644-Q648 WeakPolarHBondContact O-CB 3.32Å; C644-Q648 WeakPolarHBondContact O-CG 3.47Å; C644-Q648 PolarHBondContact O-N 3.5Å; C644-Q648 VanDerWaalsContact O-N 3.15Å; C644-Q648 PolarHBondContact O-NE2 3.16Å
645	Q	94.7	Very high	95	Very high	4 Å²	4	50 Å²	50	2%	0.019	27%	0.274	C	S	.	.	H	α-helix	trans	-73.3	-35	176.5	-171.2	172	60	0	0	111.8	K641 L642 D643 L649 D690 P750 F754	K641-Q645 VanDerWaalsContact O-CB 3.26Å; K641-Q645 WeakPolarHBondContact O-CB 3.11Å; K641-Q645 PolarHBondContact O-N 2.99Å; L642-Q645 PolarHBondContact O-N 3.02Å; D643-Q645 VanDerWaalsContact C-N 3.33Å; D643-Q645 PolarHBondContact O-N 2.95Å; Q645-L649 HydrophobicContact CG-CD1 4.25Å; Q645-L649 VanDerWaalsContact O-CG 3.27Å; Q645-L649 WeakPolarHBondContact O-CG 3.46Å; Q645-L649 PolarHBondContact O-N 2.94Å; Q645-D690 PolarHBondContact NE2-OD2 2.95Å; Q645-P750 HydrophobicContact CG-CG 4.28Å; Q645-F754 PolarHBondContact NE2-O 3.19Å
646	T	95.1	Very high	95	Very high	35 Å²	35	50.3 Å²	50.3	22%	0.215	27%	0.273	C	S	.	.	H	α-helix	trans	-67.6	-48.9	177.1	-59.9	0	0	0	0	110.9	L642 D643 Q648 L649 N650 L749	L642-T646 VanDerWaalsContact O-CB 3.26Å; L642-T646 WeakPolarHBondContact O-CB 3.48Å; L642-T646 PolarHBondContact O-N 3.33Å; L642-T646 PolarHBondContact O-OG1 3.22Å; D643-T646 PolarHBondContact O-N 3.15Å; D643-T646 VanDerWaalsContact O-N 3.16Å; T646-Q648 VanDerWaalsContact C-N 3.3Å; T646-Q648 PolarHBondContact O-N 3.49Å; T646-L649 PolarHBondContact O-N 2.84Å; T646-L649 VanDerWaalsContact O-N 3.1Å; T646-N650 PolarHBondContact O-N 3.33Å; T646-L749 HydrophobicContact CG2-CD1 4Å; T646-L749 HydrophobicContact CG2-CD2 4.04Å; T646-L749 HydrophobicContact CG2-CG 4.45Å
647	E	96.1	Very high	95.1	Very high	91 Å²	91	48.7 Å²	48.7	43%	0.425	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-36.5	176.2	-84.3	-55.4	133.1	0	0	112.6	F637 D643 L649 N650 N653	F637-E647 HydrophobicContact CD1-CB 3.81Å; F637-E647 HydrophobicContact CE1-CB 4.02Å; D643-E647 WeakPolarHBondContact O-CB 3.38Å; D643-E647 PolarHBondContact O-N 3.47Å; E647-L649 VanDerWaalsContact C-N 3.26Å; E647-L649 PolarHBondContact O-N 2.99Å; E647-N650 WeakPolarHBondContact O-CB 3.33Å; E647-N650 PolarHBondContact O-N 3.24Å; E647-N650 PolarHBondContact OE1-ND2 3.44Å; E647-N650 PolarHBondContact OE2-ND2 3.35Å; E647-N653 PolarHBondContact O-ND2 3.02Å; E647-N653 PolarHBondContact OE2-ND2 3.44Å
648	Q	95.8	Very high	95.1	Very high	7 Å²	7	48.1 Å²	48.1	3%	0.033	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-29.2	175.2	-83.2	178	86.1	0	0	113.9	F637 C644 T646 N650 I654 N688 G689 L693	F637-Q648 HydrophobicContact CD1-CG 3.79Å; F637-Q648 HydrophobicContact CD2-CG 3.53Å; F637-Q648 HydrophobicContact CE1-CB 4.46Å; F637-Q648 HydrophobicContact CE1-CG 3.55Å; F637-Q648 HydrophobicContact CE2-CG 3.27Å; F637-Q648 HydrophobicContact CG-CG 3.78Å; F637-Q648 HydrophobicContact CZ-CB 4.36Å; F637-Q648 HydrophobicContact CZ-CG 3.28Å; C644-Q648 VanDerWaalsContact O-CB 3.31Å; C644-Q648 WeakPolarHBondContact O-CB 3.32Å; C644-Q648 WeakPolarHBondContact O-CG 3.47Å; C644-Q648 PolarHBondContact O-N 3.5Å; C644-Q648 VanDerWaalsContact O-N 3.15Å; C644-Q648 PolarHBondContact O-NE2 3.16Å; T646-Q648 VanDerWaalsContact C-N 3.3Å; T646-Q648 PolarHBondContact O-N 3.49Å; Q648-N650 VanDerWaalsContact C-N 3.34Å; Q648-I654 VanDerWaalsContact O-CG1 3.27Å; Q648-I654 WeakPolarHBondContact O-CG1 3.12Å; Q648-N688 PolarHBondContact NE2-O 2.93Å; Q648-G689 VanDerWaalsContact OE1-CA 3.23Å; Q648-L693 HydrophobicContact CB-CD2 3.78Å; Q648-L693 WeakPolarHBondContact O-CD2 3.39Å
649	L	95.8	Very high	95.3	Very high	10 Å²	10	45.1 Å²	45.1	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-87.2	-2.6	177.4	-63.3	170.8	0	0	0	113.1	Q645 T646 E647 K651 L693 L749 P750 Y757 V758	Q645-L649 HydrophobicContact CG-CD1 4.25Å; Q645-L649 VanDerWaalsContact O-CG 3.27Å; Q645-L649 WeakPolarHBondContact O-CG 3.46Å; Q645-L649 PolarHBondContact O-N 2.94Å; T646-L649 PolarHBondContact O-N 2.84Å; T646-L649 VanDerWaalsContact O-N 3.1Å; E647-L649 VanDerWaalsContact C-N 3.26Å; E647-L649 PolarHBondContact O-N 2.99Å; L649-K651 PolarHBondContact O-N 2.91Å; L649-L693 HydrophobicContact CD2-CD1 4.14Å; L649-L693 HydrophobicContact CD2-CD2 4Å; L649-L749 HydrophobicContact CB-CD2 3.96Å; L649-P750 HydrophobicContact CD1-CG 4.38Å; L649-Y757 HydrophobicContact CD1-CD1 3.87Å; L649-Y757 HydrophobicContact CD1-CE1 3.99Å; L649-V758 HydrophobicContact CD2-CG2 3.76Å
650	N	95.1	Very high	95.5	Very high	54 Å²	54	42.7 Å²	42.7	29%	0.289	22%	0.224	S	C	.	.	S	Bend	trans	-63.1	127.3	168.1	-77.6	-30.2	0	0	0	110.1	T646 E647 Q648 A652 N653 I654	T646-N650 PolarHBondContact O-N 3.33Å; E647-N650 WeakPolarHBondContact O-CB 3.33Å; E647-N650 PolarHBondContact O-N 3.24Å; E647-N650 PolarHBondContact OE1-ND2 3.44Å; E647-N650 PolarHBondContact OE2-ND2 3.35Å; Q648-N650 VanDerWaalsContact C-N 3.34Å; N650-A652 PolarHBondContact O-N 3.37Å; N650-A652 VanDerWaalsContact O-N 3.08Å; N650-N653 PolarHBondContact O-N 3.37Å; N650-I654 PolarHBondContact O-N 3.42Å; N650-I654 VanDerWaalsContact O-N 3.1Å
651	K	94.5	Very high	95.7	Very high	103 Å²	103	39.9 Å²	39.9	45%	0.448	20%	0.204	S	C	.	.	H	α-helix	trans	-53.5	-37.2	-172.6	-57.6	-166.3	-177.9	-140.2	0	113.5	L649 I655 N745 N746	L649-K651 PolarHBondContact O-N 2.91Å; K651-I655 WeakPolarHBondContact O-CB 3.4Å; K651-I655 WeakPolarHBondContact O-CD1 3.44Å; K651-I655 VanDerWaalsContact O-CG1 3.23Å; K651-I655 WeakPolarHBondContact O-CG1 3.4Å; K651-I655 PolarHBondContact O-N 3.18Å; K651-N745 VanDerWaalsContact CB-OD1 3.31Å; K651-N745 WeakPolarHBondContact CB-OD1 3.4Å; K651-N745 WeakPolarHBondContact CD-OD1 3.48Å; K651-N745 WeakPolarHBondContact CE-O 3.44Å; K651-N745 VanDerWaalsContact CG-OD1 3.26Å; K651-N745 WeakPolarHBondContact CG-OD1 3.34Å; K651-N745 PolarHBondContact NZ-O 3.04Å; K651-N746 PolarHBondContact NZ-OD1 3.05Å
652	A	95.2	Very high	95.9	Very high	73 Å²	73	32.5 Å²	32.5	60%	0.603	17%	0.172	S	C	*	.	H	α-helix	trans	-62.7	-41.4	176.3	0	0	0	0	0	112.6	N650 I655 R656	N650-A652 PolarHBondContact O-N 3.37Å; N650-A652 VanDerWaalsContact O-N 3.08Å; A652-I655 PolarHBondContact O-N 3.37Å; A652-R656 WeakPolarHBondContact O-CB 3.46Å; A652-R656 PolarHBondContact O-N 3.45Å
653	N	96.7	Very high	95.9	Very high	35 Å²	35	30 Å²	30	19%	0.187	16%	0.159	C	C	.	.	H	α-helix	trans	-72.1	-42.7	179.7	-66.4	-22.8	0	0	0	111	I635 F637 E647 N650 I655 R656 E657	I635-N653 HydrophobicContact CD1-CB 3.98Å; F637-N653 HydrophobicContact CZ-CB 4.45Å; E647-N653 PolarHBondContact O-ND2 3.02Å; E647-N653 PolarHBondContact OE2-ND2 3.44Å; N650-N653 PolarHBondContact O-N 3.37Å; N653-I655 VanDerWaalsContact C-N 3.31Å; N653-I655 PolarHBondContact O-N 3.37Å; N653-R656 PolarHBondContact O-N 3.42Å; N653-E657 VanDerWaalsContact O-CG 3.29Å; N653-E657 WeakPolarHBondContact O-CG 3.44Å; N653-E657 PolarHBondContact O-N 2.95Å
654	I	96.6	Very high	96	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-54.8	-47.5	171.2	-60.2	179	0	0	0	110.8	Q648 N650 M658 I697 I744	Q648-I654 VanDerWaalsContact O-CG1 3.27Å; Q648-I654 WeakPolarHBondContact O-CG1 3.12Å; N650-I654 PolarHBondContact O-N 3.42Å; N650-I654 VanDerWaalsContact O-N 3.1Å; I654-M658 VanDerWaalsContact O-CB 3.23Å; I654-M658 WeakPolarHBondContact O-CB 3.35Å; I654-M658 PolarHBondContact O-N 2.93Å; I654-I697 HydrophobicContact CG2-CD1 4.47Å; I654-I744 WeakPolarHBondContact CD1-O 3.19Å; I654-I744 HydrophobicContact CG2-CD1 3.62Å; I654-I744 HydrophobicContact CG2-CG1 4.14Å
655	I	95.1	Very high	96.1	Very high	54 Å²	54	25.7 Å²	25.7	28%	0.277	14%	0.136	S	C	.	.	H	α-helix	trans	-67	-41.8	-179.6	-69.6	167	0	0	0	111.4	K651 A652 N653 M658 K659 F741	K651-I655 WeakPolarHBondContact O-CB 3.4Å; K651-I655 WeakPolarHBondContact O-CD1 3.44Å; K651-I655 VanDerWaalsContact O-CG1 3.23Å; K651-I655 WeakPolarHBondContact O-CG1 3.4Å; K651-I655 PolarHBondContact O-N 3.18Å; A652-I655 PolarHBondContact O-N 3.37Å; N653-I655 VanDerWaalsContact C-N 3.31Å; N653-I655 PolarHBondContact O-N 3.37Å; I655-M658 PolarHBondContact O-N 2.99Å; I655-K659 HydrophobicContact CG2-CD 4.42Å; I655-K659 HydrophobicContact CG2-CG 4.38Å; I655-K659 WeakPolarHBondContact O-CB 3.39Å; I655-K659 WeakPolarHBondContact O-CG 3.48Å; I655-K659 PolarHBondContact O-N 3.14Å; I655-F741 HydrophobicContact CD1-CZ 4.4Å; I655-F741 HydrophobicContact CG1-CE2 4.16Å; I655-F741 HydrophobicContact CG1-CZ 4Å
656	R	96.4	Very high	96.1	Very high	38 Å²	38	29.1 Å²	29.1	14%	0.143	15%	0.152	C	C	.	.	H	α-helix	trans	-57.4	-52.6	176.2	-177.7	-75.4	-159.8	-152.8	-8.3	111	Q579 D633 I635 A652 N653 K659 K660	Q579-R656 HydrophobicContact CG-CG 4.46Å; D633-R656 PolarHBondContact O-NH1 2.88Å; D633-R656 IonicContact OD2-CZ 3.55Å; D633-R656 IonicContact OD2-NH1 3.71Å; D633-R656 PolarHBondContact OD2-NH1 2.87Å; D633-R656 IonicContact OD2-NH2 2.66Å; D633-R656 PolarHBondContact OD2-NH2 3.06Å; I635-R656 HydrophobicContact CD1-CB 4.38Å; I635-R656 HydrophobicContact CD1-CG 4.12Å; I635-R656 VanDerWaalsContact CG1-NE 3.31Å; A652-R656 WeakPolarHBondContact O-CB 3.46Å; A652-R656 PolarHBondContact O-N 3.45Å; N653-R656 PolarHBondContact O-N 3.42Å; R656-K659 PolarHBondContact O-N 3.2Å; R656-K660 VanDerWaalsContact O-CB 3.3Å; R656-K660 WeakPolarHBondContact O-CB 3.32Å; R656-K660 PolarHBondContact O-N 2.89Å
657	E	98.1	Very high	96	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.019	15%	0.145	C	C	.	.	H	α-helix	trans	-67.7	-38.1	-176.9	-61.8	-70.3	-119.6	0	0	112	I635 N653 A661 W682 K694 I697	I635-E657 HydrophobicContact CD1-CG 4.15Å; I635-E657 HydrophobicContact CG1-CG 4.39Å; I635-E657 PolarHBondContact N-OE1 2.9Å; I635-E657 PolarHBondContact N-OE2 3.46Å; N653-E657 VanDerWaalsContact O-CG 3.29Å; N653-E657 WeakPolarHBondContact O-CG 3.44Å; N653-E657 PolarHBondContact O-N 2.95Å; E657-A661 WeakPolarHBondContact O-CB 3.18Å; E657-A661 PolarHBondContact O-N 3.19Å; E657-W682 HydrophobicContact CB-CH2 4.21Å; E657-W682 HydrophobicContact CB-CZ3 4.26Å; E657-K694 WeakPolarHBondContact OE1-CE 3.46Å; E657-K694 IonicContact OE1-NZ 2.79Å; E657-K694 PolarHBondContact OE1-NZ 2.84Å; E657-I697 HydrophobicContact CB-CD1 4.14Å; E657-I697 HydrophobicContact CB-CG2 4.2Å
658	M	96.3	Very high	95.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.6	-45.3	173.9	178.9	-78.3	-61.7	0	0	112.1	F506 W510 I654 I655 S662 I697 I700 F741	F506-M658 HydrophobicContact CZ-CE 4.44Å; F506-M658 HydrophobicContact CZ-SD 3.99Å; W510-M658 HydrophobicContact CH2-CE 3.84Å; W510-M658 HydrophobicContact CH2-SD 3.79Å; W510-M658 HydrophobicContact CZ2-CE 3.81Å; W510-M658 HydrophobicContact CZ2-SD 3.7Å; I654-M658 VanDerWaalsContact O-CB 3.23Å; I654-M658 WeakPolarHBondContact O-CB 3.35Å; I654-M658 PolarHBondContact O-N 2.93Å; I655-M658 PolarHBondContact O-N 2.99Å; M658-S662 VanDerWaalsContact O-CB 3.3Å; M658-S662 WeakPolarHBondContact O-CB 3.12Å; M658-S662 PolarHBondContact O-N 2.93Å; M658-S662 PolarHBondContact O-OG 3.34Å; M658-I697 HydrophobicContact CB-CG2 4.19Å; M658-I700 HydrophobicContact CG-CG2 3.85Å; M658-F741 HydrophobicContact CE-CE2 4.19Å
659	K	95.8	Very high	95.3	Very high	30 Å²	30	24.7 Å²	24.7	13%	0.13	14%	0.136	C	C	.	.	H	α-helix	trans	-66.9	-42.5	177.9	-70.7	-158.1	175.3	-166	0	111.8	F506 E508 L580 I655 R656 S662 I663	F506-K659 HydrophobicContact CD1-CD 4.19Å; F506-K659 HydrophobicContact CD2-CB 4.43Å; F506-K659 HydrophobicContact CD2-CD 3.9Å; F506-K659 HydrophobicContact CD2-CG 4.06Å; F506-K659 HydrophobicContact CE1-CD 4.35Å; F506-K659 HydrophobicContact CE1-CG 4.27Å; F506-K659 HydrophobicContact CE2-CB 4.04Å; F506-K659 HydrophobicContact CE2-CD 4.08Å; F506-K659 HydrophobicContact CE2-CG 3.72Å; F506-K659 HydrophobicContact CG-CD 3.99Å; F506-K659 HydrophobicContact CZ-CD 4.31Å; F506-K659 HydrophobicContact CZ-CG 3.84Å; E508-K659 WeakPolarHBondContact OE1-CE 3.46Å; E508-K659 IonicContact OE1-NZ 2.72Å; E508-K659 PolarHBondContact OE1-NZ 2.93Å; L580-K659 HydrophobicContact CD2-CB 3.98Å; L580-K659 HydrophobicContact CD2-CD 4.2Å; I655-K659 HydrophobicContact CG2-CD 4.42Å; I655-K659 HydrophobicContact CG2-CG 4.38Å; I655-K659 WeakPolarHBondContact O-CB 3.39Å; I655-K659 WeakPolarHBondContact O-CG 3.48Å; I655-K659 PolarHBondContact O-N 3.14Å; R656-K659 PolarHBondContact O-N 3.2Å; K659-S662 PolarHBondContact O-N 2.89Å; K659-I663 WeakPolarHBondContact O-CB 3.14Å; K659-I663 WeakPolarHBondContact O-CD1 3.49Å; K659-I663 WeakPolarHBondContact O-CG1 3.48Å; K659-I663 PolarHBondContact O-N 2.93Å
660	K	97.8	Very high	94.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-54.7	-53.5	174.4	172.7	65	60.1	168.5	0	112	K578 Q579 E581 I632 D633 R656 I663 G664 W682	K578-K660 PolarHBondContact O-NZ 3.2Å; Q579-K660 WeakPolarHBondContact O-CE 3.33Å; E581-K660 PolarHBondContact O-NZ 2.91Å; I632-K660 HydrophobicContact CB-CD 4.02Å; I632-K660 HydrophobicContact CB-CG 4.1Å; I632-K660 HydrophobicContact CG2-CD 3.99Å; I632-K660 HydrophobicContact CG2-CG 4.31Å; D633-K660 WeakPolarHBondContact O-CG 3.44Å; D633-K660 WeakPolarHBondContact OD1-CE 3.48Å; D633-K660 IonicContact OD1-NZ 3.08Å; D633-K660 PolarHBondContact OD1-NZ 2.94Å; D633-K660 WeakPolarHBondContact OD2-CE 3.32Å; D633-K660 IonicContact OD2-NZ 3.96Å; D633-K660 PolarHBondContact OD2-NZ 3.33Å; R656-K660 VanDerWaalsContact O-CB 3.3Å; R656-K660 WeakPolarHBondContact O-CB 3.32Å; R656-K660 PolarHBondContact O-N 2.89Å; K660-I663 PolarHBondContact O-N 3.48Å; K660-G664 PolarHBondContact O-N 3.26Å; K660-W682 HydrophobicContact CB-CH2 4.4Å; K660-W682 HydrophobicContact CG-CH2 4.05Å; K660-W682 HydrophobicContact CG-CZ2 3.91Å
661	A	98.1	Very high	94.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-43	178.2	0	0	0	0	0	112	I632 E657 I663 G664 F665 W682 A701	I632-A661 HydrophobicContact CD1-CB 4.22Å; E657-A661 WeakPolarHBondContact O-CB 3.18Å; E657-A661 PolarHBondContact O-N 3.19Å; A661-I663 PolarHBondContact O-N 3.14Å; A661-G664 PolarHBondContact O-N 3.36Å; A661-F665 HydrophobicContact CB-CE2 4.31Å; A661-F665 HydrophobicContact CB-CZ 4.19Å; A661-F665 VanDerWaalsContact O-CD1 3.3Å; A661-F665 WeakPolarHBondContact O-CD1 3.38Å; A661-F665 WeakPolarHBondContact O-CG 3.08Å; A661-F665 PolarHBondContact O-N 3.15Å; A661-W682 HydrophobicContact CB-CH2 4.22Å; A661-W682 HydrophobicContact CB-CZ3 4.03Å; A661-A701 HydrophobicContact CB-CB 3.61Å
662	S	95.7	Very high	94.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.2	-44.6	178.8	-57.7	0	0	0	0	111.9	M658 K659 G664 F665 M666 A701	M658-S662 VanDerWaalsContact O-CB 3.3Å; M658-S662 WeakPolarHBondContact O-CB 3.12Å; M658-S662 PolarHBondContact O-N 2.93Å; M658-S662 PolarHBondContact O-OG 3.34Å; K659-S662 PolarHBondContact O-N 2.89Å; S662-G664 VanDerWaalsContact C-N 3.31Å; S662-G664 PolarHBondContact O-N 3.22Å; S662-F665 PolarHBondContact O-N 3.1Å; S662-M666 WeakPolarHBondContact O-CB 3.41Å; S662-M666 WeakPolarHBondContact O-CG 3.47Å; S662-M666 PolarHBondContact O-N 3.03Å; S662-A701 WeakPolarHBondContact OG-CA 3.49Å
663	I	95	Very high	94.5	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-63.6	-37.5	178.4	-69.1	164.6	0	0	0	111.3	T499 M501 F506 L580 A582 K659 K660 A661 S667	T499-I663 HydrophobicContact CG2-CG2 4.12Å; M501-I663 HydrophobicContact CB-CD1 3.73Å; M501-I663 HydrophobicContact CB-CG1 3.77Å; M501-I663 HydrophobicContact SD-CG1 4.11Å; F506-I663 HydrophobicContact CD2-CG1 4.45Å; L580-I663 HydrophobicContact CB-CD1 3.8Å; L580-I663 HydrophobicContact CD2-CD1 3.69Å; L580-I663 HydrophobicContact CG-CD1 4.34Å; A582-I663 HydrophobicContact CB-CG2 4.19Å; K659-I663 WeakPolarHBondContact O-CB 3.14Å; K659-I663 WeakPolarHBondContact O-CD1 3.49Å; K659-I663 WeakPolarHBondContact O-CG1 3.48Å; K659-I663 PolarHBondContact O-N 2.93Å; K660-I663 PolarHBondContact O-N 3.48Å; A661-I663 PolarHBondContact O-N 3.14Å; I663-S667 PolarHBondContact O-N 2.97Å
664	G	97.1	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-49.3	170.9	0	0	0	0	0	112.5	K660 A661 S662 M666 S667	K660-G664 PolarHBondContact O-N 3.26Å; A661-G664 PolarHBondContact O-N 3.36Å; S662-G664 VanDerWaalsContact C-N 3.31Å; S662-G664 PolarHBondContact O-N 3.22Å; G664-M666 PolarHBondContact O-N 2.97Å; G664-S667 WeakPolarHBondContact O-CB 3.29Å; G664-S667 PolarHBondContact O-N 2.86Å; G664-S667 PolarHBondContact O-OG 2.72Å
665	F	97.4	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-74.2	-30.3	-173	-59.1	-4.8	0	0	0	112.8	V538 I632 A661 S662 S667 I677 Q698 A701 A702 A705 R707 L709	V538-F665 HydrophobicContact CG2-CD1 4.44Å; V538-F665 HydrophobicContact CG2-CE1 3.63Å; V538-F665 HydrophobicContact CG2-CZ 4.27Å; I632-F665 HydrophobicContact CD1-CE1 3.85Å; I632-F665 HydrophobicContact CD1-CZ 4.36Å; A661-F665 HydrophobicContact CB-CE2 4.31Å; A661-F665 HydrophobicContact CB-CZ 4.19Å; A661-F665 VanDerWaalsContact O-CD1 3.3Å; A661-F665 WeakPolarHBondContact O-CD1 3.38Å; A661-F665 WeakPolarHBondContact O-CG 3.08Å; A661-F665 PolarHBondContact O-N 3.15Å; S662-F665 PolarHBondContact O-N 3.1Å; F665-S667 VanDerWaalsContact C-N 3.28Å; F665-I677 HydrophobicContact CB-CD1 3.64Å; F665-I677 HydrophobicContact CB-CG1 3.96Å; F665-I677 HydrophobicContact CD1-CD1 3.91Å; F665-I677 HydrophobicContact CD1-CG1 4.18Å; F665-I677 HydrophobicContact CD1-CG2 3.73Å; F665-I677 HydrophobicContact CD2-CG1 4.04Å; F665-I677 HydrophobicContact CD2-CG2 4.17Å; F665-I677 HydrophobicContact CE1-CG2 3.58Å; F665-I677 HydrophobicContact CE2-CG2 4.01Å; F665-I677 HydrophobicContact CG-CD1 3.76Å; F665-I677 HydrophobicContact CG-CG1 3.79Å; F665-I677 HydrophobicContact CG-CG2 4.06Å; F665-I677 HydrophobicContact CZ-CG2 3.73Å; F665-Q698 HydrophobicContact CE2-CB 4.37Å; F665-Q698 HydrophobicContact CZ-CG 4.28Å; F665-A701 HydrophobicContact CD2-CB 3.69Å; F665-A701 HydrophobicContact CE2-CB 3.74Å; F665-A702 HydrophobicContact CD2-CB 4.22Å; F665-A702 HydrophobicContact CE2-CB 4.45Å; F665-A705 HydrophobicContact CB-CB 3.72Å; F665-R707 PolarHBondContact O-NH1 3.35Å; F665-L709 HydrophobicContact CE2-CD1 4.46Å
666	M	94.3	Very high	94.4	Very high	75 Å²	75	30.3 Å²	30.3	37%	0.369	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	2.2	171.1	-66.2	174.4	72.8	0	0	114.1	M501 S662 G664 Q668 V704 A705	M501-M666 HydrophobicContact CE-CE 3.87Å; M501-M666 HydrophobicContact CE-SD 4.21Å; S662-M666 WeakPolarHBondContact O-CB 3.41Å; S662-M666 WeakPolarHBondContact O-CG 3.47Å; S662-M666 PolarHBondContact O-N 3.03Å; G664-M666 PolarHBondContact O-N 2.97Å; M666-Q668 PolarHBondContact O-N 3.49Å; M666-Q668 VanDerWaalsContact O-N 3.12Å; M666-V704 HydrophobicContact SD-CG1 3.77Å; M666-A705 HydrophobicContact CG-CB 3.86Å
667	S	93.8	Very high	94.5	Very high	9 Å²	9	28.5 Å²	28.5	6%	0.063	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.1	-178.3	67.5	0	0	0	0	113.7	R497 T499 E628 I663 G664 F665	R497-S667 PolarHBondContact NH2-O 3.35Å; T499-S667 WeakPolarHBondContact OG1-CB 3.46Å; E628-S667 PolarHBondContact OE1-OG 2.78Å; I663-S667 PolarHBondContact O-N 2.97Å; G664-S667 WeakPolarHBondContact O-CB 3.29Å; G664-S667 PolarHBondContact O-N 2.86Å; G664-S667 PolarHBondContact O-OG 2.72Å; F665-S667 VanDerWaalsContact C-N 3.28Å
668	Q	94.3	Very high	94.5	Very high	11 Å²	11	28.3 Å²	28.3	5%	0.051	15%	0.154	C	C	.	.	S	Bend	trans	-102.4	152.1	172.7	-65.2	-60.8	-26.8	0	0	111.5	L287 E628 M666 F672	L287-Q668 VanDerWaalsContact CD2-CD 3.42Å; L287-Q668 HydrophobicContact CD2-CG 3.94Å; E628-Q668 VanDerWaalsContact CD-NE2 3.3Å; E628-Q668 PolarHBondContact OE1-NE2 2.73Å; E628-Q668 WeakPolarHBondContact OE2-CG 3.3Å; M666-Q668 PolarHBondContact O-N 3.49Å; M666-Q668 VanDerWaalsContact O-N 3.12Å; Q668-F672 HydrophobicContact CB-CB 4.1Å; Q668-F672 HydrophobicContact CB-CD1 4.19Å; Q668-F672 HydrophobicContact CB-CD2 3.88Å; Q668-F672 HydrophobicContact CB-CE2 4.37Å; Q668-F672 HydrophobicContact CB-CG 3.78Å; Q668-F672 HydrophobicContact CG-CD1 4.48Å
669	G	83.3	Confident	94.6	Very high	20 Å²	20	28.3 Å²	28.3	21%	0.206	15%	0.154	C	C	.	.			trans	-66.1	162.5	-174.1	0	0	0	0	0	114.1	K671 F672	G669-K671 PolarHBondContact O-N 3.32Å; G669-F672 WeakPolarHBondContact O-CB 3.35Å; G669-F672 WeakPolarHBondContact O-CD2 3.4Å; G669-F672 PolarHBondContact O-N 2.92Å
670	P	85.2	Confident	94.7	Very high	131 Å²	131	26.9 Å²	26.9	85%	0.851	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	9.1	-172.5	28.8	-37.6	0	0	0	115.7	T673	P670-T673 WeakPolarHBondContact O-CG2 2.98Å
671	K	91	Very high	94.7	Very high	151 Å²	151	27.6 Å²	27.6	66%	0.657	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-8.4	167.4	-68.1	-164.3	168.4	-158.2	0	113.6	L285 G669 T673	L285-K671 HydrophobicContact CD2-CB 3.55Å; L285-K671 HydrophobicContact CD2-CD 4.37Å; L285-K671 WeakPolarHBondContact CD2-O 3.46Å; G669-K671 PolarHBondContact O-N 3.32Å; K671-T673 PolarHBondContact O-N 3.49Å
672	F	94.7	Very high	94.7	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.035	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-83.8	16.1	-177.7	-79.8	-99.7	0	0	0	113.6	F280 L285 L287 Q668 G669 N674 I675 R707	F280-F672 AromaticContact CE1-CE1 3.85Å; F280-F672 HydrophobicContact CE1-CE1 3.85Å; F280-F672 HydrophobicContact CE1-CZ 4.26Å; F280-F672 AromaticContact CZ-CE1 3.72Å; F280-F672 HydrophobicContact CZ-CE1 3.72Å; L285-F672 HydrophobicContact CB-CE1 4.29Å; L285-F672 HydrophobicContact CB-CE2 4.33Å; L285-F672 HydrophobicContact CB-CZ 3.92Å; L285-F672 HydrophobicContact CD1-CD1 4.4Å; L285-F672 HydrophobicContact CD1-CE1 4.38Å; L287-F672 HydrophobicContact CD2-CD1 4.33Å; L287-F672 HydrophobicContact CD2-CE1 3.43Å; L287-F672 VanDerWaalsContact CD2-CE1 3.43Å; L287-F672 HydrophobicContact CD2-CZ 3.7Å; L287-F672 HydrophobicContact CG-CE1 4.21Å; L287-F672 HydrophobicContact CG-CZ 4.16Å; Q668-F672 HydrophobicContact CB-CB 4.1Å; Q668-F672 HydrophobicContact CB-CD1 4.19Å; Q668-F672 HydrophobicContact CB-CD2 3.88Å; Q668-F672 HydrophobicContact CB-CE2 4.37Å; Q668-F672 HydrophobicContact CB-CG 3.78Å; Q668-F672 HydrophobicContact CG-CD1 4.48Å; G669-F672 WeakPolarHBondContact O-CB 3.35Å; G669-F672 WeakPolarHBondContact O-CD2 3.4Å; G669-F672 PolarHBondContact O-N 2.92Å; F672-N674 PolarHBondContact O-N 3.48Å; F672-I675 HydrophobicContact CB-CB 4.41Å; F672-I675 HydrophobicContact CD1-CB 3.89Å; F672-I675 HydrophobicContact CD1-CG1 3.81Å; F672-I675 HydrophobicContact CD1-CG2 4.06Å; F672-I675 HydrophobicContact CE1-CG1 4.42Å; F672-I675 PolarHBondContact O-N 2.88Å; F672-R707 PolarHBondContact O-NE 3.05Å
673	T	92.1	Very high	94.8	Very high	38 Å²	38	28 Å²	28	23%	0.233	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-52.2	-42.2	-178.2	64.4	0	0	0	0	112.1	P670 K671 I675 D706 P708	P670-T673 WeakPolarHBondContact O-CG2 2.98Å; K671-T673 PolarHBondContact O-N 3.49Å; T673-I675 VanDerWaalsContact C-N 3.32Å; T673-I675 PolarHBondContact O-N 3.12Å; T673-D706 VanDerWaalsContact CA-O 3.25Å; T673-D706 WeakPolarHBondContact CA-O 3.37Å; T673-D706 HydrophobicContact CG2-CB 4.07Å; T673-P708 WeakPolarHBondContact O-CD 3.42Å
674	N	92.9	Very high	94.8	Very high	118 Å²	118	29 Å²	29	63%	0.631	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-90.1	9.6	-177	-59	-3.1	0	0	0	113.4	A279 F672	A279-N674 HydrophobicContact CB-CB 4.46Å; F672-N674 PolarHBondContact O-N 3.48Å
675	I	96.3	Very high	94.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	19%	0.189	C	C	.	.	S	Bend	trans	-111	116.3	-178.7	-56.9	-53.8	0	0	0	109.1	A279 F280 L285 F672 T673 R707	A279-I675 HydrophobicContact CB-CD1 3.65Å; F280-I675 HydrophobicContact CD2-CD1 3.5Å; F280-I675 HydrophobicContact CD2-CG1 4.22Å; F280-I675 HydrophobicContact CE2-CD1 3.59Å; F280-I675 HydrophobicContact CE2-CG1 3.91Å; F280-I675 HydrophobicContact CE2-CG2 3.8Å; F280-I675 HydrophobicContact CG-CD1 4.47Å; F280-I675 HydrophobicContact CZ-CG2 4.3Å; L285-I675 HydrophobicContact CD1-CD1 3.83Å; L285-I675 HydrophobicContact CD1-CG1 3.48Å; L285-I675 VanDerWaalsContact CD1-CG1 3.48Å; F672-I675 HydrophobicContact CB-CB 4.41Å; F672-I675 HydrophobicContact CD1-CB 3.89Å; F672-I675 HydrophobicContact CD1-CG1 3.81Å; F672-I675 HydrophobicContact CD1-CG2 4.06Å; F672-I675 HydrophobicContact CE1-CG1 4.42Å; F672-I675 PolarHBondContact O-N 2.88Å; T673-I675 VanDerWaalsContact C-N 3.32Å; T673-I675 PolarHBondContact O-N 3.12Å; I675-R707 VanDerWaalsContact O-CZ 3.31Å; I675-R707 PolarHBondContact O-NE 3.37Å; I675-R707 PolarHBondContact O-NH2 2.9Å
676	P	96.6	Very high	94.2	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	20%	0.199	C	C	.	.			trans	-70	157.2	-168.5	27.8	-35.8	0	0	0	114	H276 C535 T536 R707 P708 H710	H276-P676 VanDerWaalsContact CE1-CG 3.49Å; H276-P676 WeakPolarHBondContact CE1-CG 3.49Å; H276-P676 WeakPolarHBondContact NE2-CD 3.41Å; H276-P676 VanDerWaalsContact NE2-CG 3.33Å; H276-P676 WeakPolarHBondContact NE2-CG 3.36Å; C535-P676 HydrophobicContact CB-CG 4.02Å; T536-P676 PolarHBondContact N-O 3.27Å; T536-P676 VanDerWaalsContact N-O 3.16Å; P676-R707 PolarHBondContact O-NH2 3.42Å; P676-P708 WeakPolarHBondContact CA-O 3.34Å; P676-P708 HydrophobicContact CB-CB 4.22Å; P676-H710 HydrophobicContact CB-CB 4.26Å; P676-H710 WeakPolarHBondContact CB-CD2 3.35Å
677	I	98.6	Very high	94.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	117	156.2	-55.9	-60.8	0	0	0	107.3	T536 V538 F665 R707 P708 L709 H710	T536-I677 HydrophobicContact CG2-CD1 3.85Å; T536-I677 CarbonylContact O-C 3.58Å; V538-I677 HydrophobicContact CG2-CG2 3.57Å; F665-I677 HydrophobicContact CB-CD1 3.64Å; F665-I677 HydrophobicContact CB-CG1 3.96Å; F665-I677 HydrophobicContact CD1-CD1 3.91Å; F665-I677 HydrophobicContact CD1-CG1 4.18Å; F665-I677 HydrophobicContact CD1-CG2 3.73Å; F665-I677 HydrophobicContact CD2-CG1 4.04Å; F665-I677 HydrophobicContact CD2-CG2 4.17Å; F665-I677 HydrophobicContact CE1-CG2 3.58Å; F665-I677 HydrophobicContact CE2-CG2 4.01Å; F665-I677 HydrophobicContact CG-CD1 3.76Å; F665-I677 HydrophobicContact CG-CG1 3.79Å; F665-I677 HydrophobicContact CG-CG2 4.06Å; F665-I677 HydrophobicContact CZ-CG2 3.73Å; I677-R707 VanDerWaalsContact CD1-CZ 3.44Å; I677-R707 HydrophobicContact CG1-CB 4.14Å; I677-P708 PolarHBondContact N-O 2.97Å; I677-L709 HydrophobicContact CB-CD1 3.94Å; I677-L709 HydrophobicContact CG2-CD1 3.9Å; I677-H710 PolarHBondContact O-N 3.06Å
678	V	98.4	Very high	94.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	114.5	174.5	-173.2	0	0	0	0	108.5	M527 I529 T532 C535 T536 V538 H710	M527-V678 HydrophobicContact CE-CG1 4.18Å; I529-V678 HydrophobicContact CB-CG1 4.35Å; I529-V678 HydrophobicContact CG1-CG1 4.29Å; I529-V678 HydrophobicContact CG2-CB 4.47Å; I529-V678 HydrophobicContact CG2-CG1 4.13Å; T532-V678 HydrophobicContact CG2-CG1 3.89Å; T532-V678 HydrophobicContact CG2-CG2 4.23Å; C535-V678 HydrophobicContact CB-CG2 3.95Å; T536-V678 PolarHBondContact O-N 2.93Å; V538-V678 WeakPolarHBondContact CG2-O 3.23Å; V538-V678 PolarHBondContact N-O 3.34Å; V678-H710 CarbonylContact C-O 3.58Å; V678-H710 WeakPolarHBondContact CA-O 3.42Å; V678-H710 HydrophobicContact CG2-CB 4.18Å
679	T	98.7	Very high	94.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	-171.7	-172.6	-164.3	0	0	0	0	111.9	Q698 L709 H710 F711 C712	T679-Q698 VanDerWaalsContact CG2-OE1 3.22Å; T679-Q698 PolarHBondContact OG1-OE1 3.33Å; T679-L709 HydrophobicContact CG2-CD1 3.5Å; T679-L709 VanDerWaalsContact CG2-CD1 3.5Å; T679-L709 HydrophobicContact CG2-CG 4.19Å; T679-H710 PolarHBondContact N-O 3.44Å; T679-F711 HydrophobicContact CG2-CD2 3.72Å; T679-F711 HydrophobicContact CG2-CE2 4.01Å; T679-F711 CarbonylContact O-C 3.38Å; T679-F711 WeakPolarHBondContact O-CA 3.43Å; T679-C712 WeakPolarHBondContact O-CB 3.19Å; T679-C712 PolarHBondContact O-N 3.36Å
680	G	98	Very high	95	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.194	C	C	.	.			trans	-164.2	-136.3	171.3	0	0	0	0	0	111.7	W682 Q698 F711 C712	G680-W682 PolarHBondContact O-N 2.84Å; G680-Q698 PolarHBondContact O-NE2 3.07Å; G680-F711 WeakPolarHBondContact O-CE2 3.24Å; G680-F711 WeakPolarHBondContact O-CZ 3.26Å; G680-C712 WeakPolarHBondContact CA-O 3.46Å
681	W	97.5	Very high	95.6	Very high	15 Å²	15	28.3 Å²	28.3	6%	0.057	16%	0.163	C	C	.	.	S	Bend	trans	-72.5	55.1	-177.3	-53.3	130.5	0	0	0	114.9	F523 G683 C684 K691 F695 F711 S713 F714 E716 L719	F523-W681 HydrophobicContact CE1-CH2 4.46Å; W681-G683 PolarHBondContact O-N 3.39Å; W681-C684 HydrophobicContact CB-CB 3.95Å; W681-C684 WeakPolarHBondContact O-CB 3.4Å; W681-C684 PolarHBondContact O-N 3.32Å; W681-K691 HydrophobicContact CB-CG 4.46Å; W681-K691 HydrophobicContact CD2-CB 4.43Å; W681-K691 HydrophobicContact CD2-CD 3.88Å; W681-K691 HydrophobicContact CD2-CG 3.99Å; W681-K691 HydrophobicContact CE3-CB 3.74Å; W681-K691 HydrophobicContact CE3-CD 4.05Å; W681-K691 HydrophobicContact CE3-CG 3.74Å; W681-K691 HydrophobicContact CG-CD 4.13Å; W681-K691 HydrophobicContact CG-CG 4.28Å; W681-K691 HydrophobicContact CZ3-CB 3.95Å; W681-K691 HydrophobicContact CZ3-CG 4.4Å; W681-F695 HydrophobicContact CZ3-CB 4.36Å; W681-F711 AromaticContact CD2-CE1 3.82Å; W681-F711 HydrophobicContact CD2-CE1 3.82Å; W681-F711 HydrophobicContact CD2-CZ 4.15Å; W681-F711 AromaticContact CE2-CE1 3.97Å; W681-F711 AromaticContact CE3-CE1 3.56Å; W681-F711 HydrophobicContact CE3-CE1 3.56Å; W681-F711 AromaticContact CE3-CZ 3.54Å; W681-F711 HydrophobicContact CE3-CZ 3.54Å; W681-F711 HydrophobicContact CH2-CD1 4.43Å; W681-F711 AromaticContact CH2-CE1 3.56Å; W681-F711 HydrophobicContact CH2-CE1 3.56Å; W681-F711 HydrophobicContact CH2-CZ 4.14Å; W681-F711 AromaticContact CZ2-CE1 3.85Å; W681-F711 HydrophobicContact CZ2-CE1 3.85Å; W681-F711 AromaticContact CZ3-CE1 3.43Å; W681-F711 HydrophobicContact CZ3-CE1 3.43Å; W681-F711 VanDerWaalsContact CZ3-CE1 3.43Å; W681-F711 AromaticContact CZ3-CZ 3.54Å; W681-F711 HydrophobicContact CZ3-CZ 3.54Å; W681-S713 PolarHBondContact NE1-O 3.45Å; W681-F714 AromaticContact CD1-CD2 3.84Å; W681-E716 PolarHBondContact NE1-OE1 3.35Å; W681-L719 HydrophobicContact CH2-CD2 3.46Å; W681-L719 VanDerWaalsContact CH2-CD2 3.46Å; W681-L719 HydrophobicContact CH2-CG 3.56Å; W681-L719 HydrophobicContact CZ2-CB 4.4Å; W681-L719 HydrophobicContact CZ2-CD2 3.45Å; W681-L719 VanDerWaalsContact CZ2-CD2 3.45Å; W681-L719 HydrophobicContact CZ2-CG 3.77Å; W681-L719 HydrophobicContact CZ3-CD2 3.99Å; W681-L719 HydrophobicContact CZ3-CG 4.38Å
682	W	98.4	Very high	95.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	115.9	-179.7	173.2	56.4	0	0	0	113.3	F540 I632 D633 A634 E657 K660 A661 G680 C684 K694 I697 Q698	F540-W682 HydrophobicContact CD1-CB 3.81Å; F540-W682 AromaticContact CD1-CD1 3.66Å; F540-W682 HydrophobicContact CD1-CG 4.13Å; F540-W682 HydrophobicContact CE1-CB 3.82Å; F540-W682 HydrophobicContact CG-CB 4.46Å; F540-W682 HydrophobicContact CZ-CB 4.46Å; I632-W682 HydrophobicContact CB-CZ2 4.28Å; I632-W682 HydrophobicContact CD1-CD2 4.21Å; I632-W682 HydrophobicContact CD1-CZ2 4.02Å; I632-W682 HydrophobicContact CG1-CZ2 4.29Å; I632-W682 PolarHBondContact O-NE1 2.84Å; D633-W682 WeakPolarHBondContact O-CZ2 3.38Å; A634-W682 HydrophobicContact CB-CZ2 4.05Å; E657-W682 HydrophobicContact CB-CH2 4.21Å; E657-W682 HydrophobicContact CB-CZ3 4.26Å; K660-W682 HydrophobicContact CB-CH2 4.4Å; K660-W682 HydrophobicContact CG-CH2 4.05Å; K660-W682 HydrophobicContact CG-CZ2 3.91Å; A661-W682 HydrophobicContact CB-CH2 4.22Å; A661-W682 HydrophobicContact CB-CZ3 4.03Å; G680-W682 PolarHBondContact O-N 2.84Å; W682-C684 PolarHBondContact O-N 3.07Å; W682-K694 HydrophobicContact CE3-CD 3.8Å; W682-K694 HydrophobicContact CZ3-CD 4.14Å; W682-K694 VanDerWaalsContact O-CD 3.28Å; W682-K694 WeakPolarHBondContact O-CD 3.14Å; W682-I697 HydrophobicContact CZ3-CG2 4.39Å; W682-Q698 HydrophobicContact CE3-CG 4.14Å
683	G	96.9	Very high	96.1	Very high	10 Å²	10	20.9 Å²	20.9	10%	0.103	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	-0.7	-178.7	0	0	0	0	0	115.4	W681 G685 F687 N688 G689	W681-G683 PolarHBondContact O-N 3.39Å; G683-G685 VanDerWaalsContact C-N 3.33Å; G683-G685 PolarHBondContact O-N 2.85Å; G683-F687 CarbonylContact O-C 3.6Å; G683-F687 VanDerWaalsContact O-CB 3.26Å; G683-F687 WeakPolarHBondContact O-CB 3.32Å; G683-N688 PolarHBondContact O-N 3.46Å; G683-G689 WeakPolarHBondContact O-CA 3.34Å; G683-G689 PolarHBondContact O-N 3.43Å
684	C	96.3	Very high	96.4	Very high	20 Å²	20	19.1 Å²	19.1	14%	0.135	12%	0.12	C	C	.	.	S	Bend	trans	-86.9	-0.2	-176.6	-45.5	0	0	0	0	114.5	W681 W682 G689 K691	W681-C684 HydrophobicContact CB-CB 3.95Å; W681-C684 WeakPolarHBondContact O-CB 3.4Å; W681-C684 PolarHBondContact O-N 3.32Å; W682-C684 PolarHBondContact O-N 3.07Å; C684-G689 WeakPolarHBondContact CA-O 3.47Å; C684-G689 VanDerWaalsContact CB-O 3.3Å; C684-G689 WeakPolarHBondContact CB-O 3.16Å; C684-K691 HydrophobicContact CB-CD 4.48Å; C684-K691 HydrophobicContact CB-CG 3.53Å
685	G	91.1	Very high	96.6	Very high	54 Å²	54	13.5 Å²	13.5	56%	0.557	9%	0.09	S	C	*	.	S	Bend	trans	-87	-120.5	171.5	0	0	0	0	0	111.2	G683 F687 N688	G683-G685 VanDerWaalsContact C-N 3.33Å; G683-G685 PolarHBondContact O-N 2.85Å; G685-F687 PolarHBondContact O-N 3.28Å; G685-N688 PolarHBondContact O-N 2.94Å
686	A	88.8	Confident	96.7	Very high	27 Å²	27	13.5 Å²	13.5	22%	0.223	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-20.6	-179.3	0	0	0	0	0	115	Y19 V23 L636 N688	Y19-A686 HydrophobicContact CD2-CB 4.32Å; Y19-A686 HydrophobicContact CE2-CB 4.19Å; V23-A686 HydrophobicContact CG2-CB 4.42Å; L636-A686 WeakPolarHBondContact CD1-O 3.37Å; A686-N688 PolarHBondContact O-ND2 3.05Å
687	F	94.8	Very high	96.8	Very high	22 Å²	22	13.6 Å²	13.6	10%	0.096	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	0.6	-179.5	-77.8	34.3	0	0	0	113.8	Y19 A634 L636 F637 G683 G685 G689	Y19-F687 HydrophobicContact CD2-CD1 4.47Å; Y19-F687 AromaticContact CD2-CE1 3.8Å; Y19-F687 HydrophobicContact CD2-CE1 3.8Å; Y19-F687 AromaticContact CE2-CE1 3.85Å; Y19-F687 HydrophobicContact CE2-CE1 3.85Å; A634-F687 HydrophobicContact CB-CD2 3.77Å; A634-F687 HydrophobicContact CB-CE2 4.38Å; A634-F687 WeakPolarHBondContact O-CD2 3.38Å; A634-F687 VanDerWaalsContact O-CE2 3.29Å; A634-F687 WeakPolarHBondContact O-CE2 3.35Å; L636-F687 HydrophobicContact CB-CD1 4.33Å; L636-F687 HydrophobicContact CB-CD2 4.03Å; L636-F687 HydrophobicContact CB-CE2 4.38Å; L636-F687 HydrophobicContact CB-CG 4.02Å; L636-F687 HydrophobicContact CD1-CB 4.46Å; L636-F687 HydrophobicContact CD1-CD1 4.32Å; L636-F687 HydrophobicContact CD1-CG 4.41Å; F637-F687 PolarHBondContact N-O 3.39Å; G683-F687 CarbonylContact O-C 3.6Å; G683-F687 VanDerWaalsContact O-CB 3.26Å; G683-F687 WeakPolarHBondContact O-CB 3.32Å; G685-F687 PolarHBondContact O-N 3.28Å; F687-G689 VanDerWaalsContact C-N 3.3Å; F687-G689 PolarHBondContact O-N 3.34Å
688	N	95.6	Very high	96.8	Very high	57 Å²	57	13.6 Å²	13.6	31%	0.305	9%	0.09	S	C	.	.			trans	61.9	27.7	173.4	-51.4	-66.5	0	0	0	115.6	Y22 F637 Q648 G683 G685 A686	Y22-N688 WeakPolarHBondContact CE1-ND2 3.24Å; F637-N688 HydrophobicContact CB-CB 4.45Å; F637-N688 PolarHBondContact O-ND2 3.28Å; Q648-N688 PolarHBondContact NE2-O 2.93Å; G683-N688 PolarHBondContact O-N 3.46Å; G685-N688 PolarHBondContact O-N 2.94Å; A686-N688 PolarHBondContact O-ND2 3.05Å
689	G	96.6	Very high	96.8	Very high	9 Å²	9	13.6 Å²	13.6	9%	0.093	9%	0.09	C	C	.	.			trans	-63.9	137.3	176.2	0	0	0	0	0	114.9	Q648 G683 C684 F687 K691	Q648-G689 VanDerWaalsContact OE1-CA 3.23Å; G683-G689 WeakPolarHBondContact O-CA 3.34Å; G683-G689 PolarHBondContact O-N 3.43Å; C684-G689 WeakPolarHBondContact CA-O 3.47Å; C684-G689 VanDerWaalsContact CB-O 3.3Å; C684-G689 WeakPolarHBondContact CB-O 3.16Å; F687-G689 VanDerWaalsContact C-N 3.3Å; F687-G689 PolarHBondContact O-N 3.34Å; G689-K691 PolarHBondContact O-N 3.47Å
690	D	96.6	Very high	96.8	Very high	16 Å²	16	13.6 Å²	13.6	9%	0.086	9%	0.09	C	C	.	.			trans	-72.1	113.5	171.6	180	-72.5	0	0	0	109.6	Q645 P692 L693 K694	Q645-D690 PolarHBondContact NE2-OD2 2.95Å; D690-P692 WeakPolarHBondContact OD1-CD 3.27Å; D690-L693 HydrophobicContact CB-CB 3.99Å; D690-L693 PolarHBondContact O-N 3.28Å; D690-L693 VanDerWaalsContact OD1-CB 3.29Å; D690-L693 WeakPolarHBondContact OD1-CB 3.47Å; D690-L693 PolarHBondContact OD1-N 3.36Å; D690-K694 VanDerWaalsContact O-CB 3.28Å; D690-K694 WeakPolarHBondContact O-CB 3.32Å; D690-K694 WeakPolarHBondContact O-CG 3.36Å; D690-K694 PolarHBondContact O-N 3.46Å
691	K	97.4	Very high	96.7	Very high	47 Å²	47	13.6 Å²	13.6	20%	0.204	9%	0.09	C	C	.	.	H	α-helix	trans	-61	-48	-173.7	-72.7	175.2	176.3	171.2	0	113.1	W681 C684 G689 L693 K694 F695 E716 L719	W681-K691 HydrophobicContact CB-CG 4.46Å; W681-K691 HydrophobicContact CD2-CB 4.43Å; W681-K691 HydrophobicContact CD2-CD 3.88Å; W681-K691 HydrophobicContact CD2-CG 3.99Å; W681-K691 HydrophobicContact CE3-CB 3.74Å; W681-K691 HydrophobicContact CE3-CD 4.05Å; W681-K691 HydrophobicContact CE3-CG 3.74Å; W681-K691 HydrophobicContact CG-CD 4.13Å; W681-K691 HydrophobicContact CG-CG 4.28Å; W681-K691 HydrophobicContact CZ3-CB 3.95Å; W681-K691 HydrophobicContact CZ3-CG 4.4Å; C684-K691 HydrophobicContact CB-CD 4.48Å; C684-K691 HydrophobicContact CB-CG 3.53Å; G689-K691 PolarHBondContact O-N 3.47Å; K691-L693 PolarHBondContact O-N 3.18Å; K691-K694 PolarHBondContact O-N 3.08Å; K691-F695 WeakPolarHBondContact O-CB 3.36Å; K691-F695 PolarHBondContact O-N 3.29Å; K691-E716 IonicContact NZ-OE1 2.81Å; K691-E716 PolarHBondContact NZ-OE1 3.09Å; K691-E716 IonicContact NZ-OE2 2.66Å; K691-E716 PolarHBondContact NZ-OE2 3.49Å; K691-L719 HydrophobicContact CB-CD2 3.99Å; K691-L719 HydrophobicContact CD-CD2 3.55Å; K691-L719 HydrophobicContact CG-CD2 4.4Å
692	P	97.7	Very high	96.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.4	-44.1	173.8	-33.7	43.6	0	0	0	114.4	D690 I696 E755 F756 F759	D690-P692 WeakPolarHBondContact OD1-CD 3.27Å; P692-I696 WeakPolarHBondContact O-CG1 3.45Å; P692-I696 PolarHBondContact O-N 3.26Å; P692-E755 HydrophobicContact CG-CG 4.38Å; P692-E755 WeakPolarHBondContact CG-O 3.49Å; P692-F756 HydrophobicContact CG-CD1 4.07Å; P692-F756 HydrophobicContact CG-CE1 4.2Å; P692-F759 HydrophobicContact CB-CD1 3.75Å; P692-F759 HydrophobicContact CB-CD2 4.37Å; P692-F759 HydrophobicContact CB-CE1 3.56Å; P692-F759 HydrophobicContact CB-CE2 4.22Å; P692-F759 HydrophobicContact CB-CG 4.15Å; P692-F759 HydrophobicContact CB-CZ 3.81Å; P692-F759 HydrophobicContact CG-CE2 4.38Å; P692-F759 HydrophobicContact CG-CZ 4.34Å
693	L	97.9	Very high	96.6	Very high	3 Å²	3	13 Å²	13	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-65	-50.2	176.2	-175.8	62.1	0	0	0	111.9	Q648 L649 D690 K691 F695 I696 I697 V758	Q648-L693 HydrophobicContact CB-CD2 3.78Å; Q648-L693 WeakPolarHBondContact O-CD2 3.39Å; L649-L693 HydrophobicContact CD2-CD1 4.14Å; L649-L693 HydrophobicContact CD2-CD2 4Å; D690-L693 HydrophobicContact CB-CB 3.99Å; D690-L693 PolarHBondContact O-N 3.28Å; D690-L693 VanDerWaalsContact OD1-CB 3.29Å; D690-L693 WeakPolarHBondContact OD1-CB 3.47Å; D690-L693 PolarHBondContact OD1-N 3.36Å; K691-L693 PolarHBondContact O-N 3.18Å; L693-F695 VanDerWaalsContact C-N 3.26Å; L693-F695 PolarHBondContact O-N 2.92Å; L693-I696 PolarHBondContact O-N 2.94Å; L693-I696 VanDerWaalsContact O-N 3.11Å; L693-I697 HydrophobicContact CD1-CD1 4.1Å; L693-I697 HydrophobicContact CD1-CG1 4.34Å; L693-I697 HydrophobicContact CD2-CD1 4.33Å; L693-I697 HydrophobicContact CG-CD1 3.78Å; L693-I697 HydrophobicContact CG-CG1 4.38Å; L693-I697 WeakPolarHBondContact O-CG1 3.42Å; L693-I697 PolarHBondContact O-N 2.81Å; L693-V758 HydrophobicContact CB-CG2 4.1Å; L693-V758 HydrophobicContact CD1-CG1 4.38Å; L693-V758 HydrophobicContact CD1-CG2 4.06Å
694	K	98.4	Very high	96.4	Very high	2 Å²	2	13 Å²	13	1%	0.009	9%	0.087	C	C	.	.	H	α-helix	trans	-62.5	-31.5	-179.6	-79.4	-74.5	-168.3	158.8	0	112.8	A634 E657 W682 D690 K691 Q698	A634-K694 VanDerWaalsContact CB-NZ 3.29Å; E657-K694 WeakPolarHBondContact OE1-CE 3.46Å; E657-K694 IonicContact OE1-NZ 2.79Å; E657-K694 PolarHBondContact OE1-NZ 2.84Å; W682-K694 HydrophobicContact CE3-CD 3.8Å; W682-K694 HydrophobicContact CZ3-CD 4.14Å; W682-K694 VanDerWaalsContact O-CD 3.28Å; W682-K694 WeakPolarHBondContact O-CD 3.14Å; D690-K694 VanDerWaalsContact O-CB 3.28Å; D690-K694 WeakPolarHBondContact O-CB 3.32Å; D690-K694 WeakPolarHBondContact O-CG 3.36Å; D690-K694 PolarHBondContact O-N 3.46Å; K691-K694 PolarHBondContact O-N 3.08Å; K694-Q698 VanDerWaalsContact O-CG 3.31Å; K694-Q698 WeakPolarHBondContact O-CG 3.33Å; K694-Q698 PolarHBondContact O-N 3.12Å; K694-Q698 PolarHBondContact O-NE2 3.21Å; K694-Q698 VanDerWaalsContact O-NE2 3.16Å
695	F	98.7	Very high	96.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-53.3	169.3	171.3	-113.4	0	0	0	111.4	V521 F523 W681 K691 L693 I697 Q698 V699 F711 C723 I727 F759	V521-F695 HydrophobicContact CG1-CE2 4Å; V521-F695 HydrophobicContact CG1-CZ 4.13Å; F523-F695 HydrophobicContact CE2-CD2 4.4Å; F523-F695 AromaticContact CE2-CE2 3.49Å; F523-F695 HydrophobicContact CE2-CE2 3.49Å; F523-F695 VanDerWaalsContact CE2-CE2 3.49Å; F523-F695 AromaticContact CE2-CZ 3.66Å; F523-F695 HydrophobicContact CE2-CZ 3.66Å; F523-F695 AromaticContact CZ-CD2 3.82Å; F523-F695 HydrophobicContact CZ-CD2 3.82Å; F523-F695 AromaticContact CZ-CE2 3.35Å; F523-F695 HydrophobicContact CZ-CE2 3.35Å; F523-F695 AromaticContact CZ-CZ 3.81Å; F523-F695 HydrophobicContact CZ-CZ 3.81Å; W681-F695 HydrophobicContact CZ3-CB 4.36Å; K691-F695 WeakPolarHBondContact O-CB 3.36Å; K691-F695 PolarHBondContact O-N 3.29Å; L693-F695 VanDerWaalsContact C-N 3.26Å; L693-F695 PolarHBondContact O-N 2.92Å; F695-I697 VanDerWaalsContact C-N 3.33Å; F695-I697 PolarHBondContact O-N 2.89Å; F695-Q698 PolarHBondContact O-N 3.09Å; F695-Q698 VanDerWaalsContact O-N 3.13Å; F695-V699 HydrophobicContact CD2-CG2 4.09Å; F695-V699 HydrophobicContact CE1-CG2 4.11Å; F695-V699 HydrophobicContact CE2-CG2 3.59Å; F695-V699 HydrophobicContact CZ-CG2 3.61Å; F695-V699 WeakPolarHBondContact O-CG2 3.13Å; F695-V699 PolarHBondContact O-N 2.66Å; F695-F711 AromaticContact CD2-CD2 3.86Å; F695-F711 HydrophobicContact CD2-CD2 3.86Å; F695-F711 AromaticContact CD2-CE2 3.68Å; F695-F711 HydrophobicContact CD2-CE2 3.68Å; F695-F711 HydrophobicContact CD2-CG 4.43Å; F695-F711 HydrophobicContact CD2-CZ 4.1Å; F695-F711 HydrophobicContact CE2-CD2 4.2Å; F695-F711 HydrophobicContact CE2-CE2 4.46Å; F695-C723 HydrophobicContact CD1-CB 4.05Å; F695-C723 HydrophobicContact CE1-CB 3.71Å; F695-C723 HydrophobicContact CE2-CB 4.37Å; F695-C723 HydrophobicContact CZ-CB 3.89Å; F695-I727 HydrophobicContact CE1-CD1 4.06Å; F695-I727 HydrophobicContact CE1-CG1 3.91Å; F695-I727 HydrophobicContact CZ-CD1 3.88Å; F695-I727 HydrophobicContact CZ-CG1 3.66Å; F695-F759 HydrophobicContact CD1-CE1 4.12Å; F695-F759 AromaticContact CD1-CZ 3.9Å; F695-F759 HydrophobicContact CD1-CZ 3.9Å
696	I	98.6	Very high	96.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-37.3	-178.6	-61.7	-65.5	0	0	0	112	P692 L693 Q698 V699 I700 M730 L740 I744 F759 I762	P692-I696 WeakPolarHBondContact O-CG1 3.45Å; P692-I696 PolarHBondContact O-N 3.26Å; L693-I696 PolarHBondContact O-N 2.94Å; L693-I696 VanDerWaalsContact O-N 3.11Å; I696-Q698 VanDerWaalsContact C-N 3.34Å; I696-Q698 PolarHBondContact O-N 3.36Å; I696-V699 PolarHBondContact O-N 3.3Å; I696-I700 HydrophobicContact CG2-CD1 4.18Å; I696-I700 WeakPolarHBondContact O-CG1 3.42Å; I696-I700 PolarHBondContact O-N 3.34Å; I696-M730 HydrophobicContact CD1-CE 4.04Å; I696-L740 HydrophobicContact CG2-CD1 3.67Å; I696-L740 HydrophobicContact CG2-CD2 4.05Å; I696-L740 HydrophobicContact CG2-CG 3.84Å; I696-I744 HydrophobicContact CB-CG2 4.39Å; I696-I744 HydrophobicContact CG2-CD1 4.36Å; I696-I744 HydrophobicContact CG2-CG2 3.58Å; I696-F759 HydrophobicContact CD1-CE1 4.13Å; I696-F759 HydrophobicContact CG1-CD1 4.45Å; I696-F759 HydrophobicContact CG1-CE1 3.91Å; I696-I762 HydrophobicContact CD1-CD1 4.15Å; I696-I762 HydrophobicContact CG1-CD1 4.04Å; I696-I762 HydrophobicContact CG2-CD1 4.42Å
697	I	98.5	Very high	96.7	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.015	7%	0.073	C	C	.	.	H	α-helix	trans	-59.4	-43.9	173.6	-73	174.4	0	0	0	111.2	I654 E657 M658 W682 L693 F695 I700 A701 I744	I654-I697 HydrophobicContact CG2-CD1 4.47Å; E657-I697 HydrophobicContact CB-CD1 4.14Å; E657-I697 HydrophobicContact CB-CG2 4.2Å; M658-I697 HydrophobicContact CB-CG2 4.19Å; W682-I697 HydrophobicContact CZ3-CG2 4.39Å; L693-I697 HydrophobicContact CD1-CD1 4.1Å; L693-I697 HydrophobicContact CD1-CG1 4.34Å; L693-I697 HydrophobicContact CD2-CD1 4.33Å; L693-I697 HydrophobicContact CG-CD1 3.78Å; L693-I697 HydrophobicContact CG-CG1 4.38Å; L693-I697 WeakPolarHBondContact O-CG1 3.42Å; L693-I697 PolarHBondContact O-N 2.81Å; F695-I697 VanDerWaalsContact C-N 3.33Å; F695-I697 PolarHBondContact O-N 2.89Å; I697-I700 PolarHBondContact O-N 2.87Å; I697-A701 WeakPolarHBondContact O-CB 3.43Å; I697-A701 PolarHBondContact O-N 3.32Å; I697-I744 HydrophobicContact CG1-CD1 4.09Å
698	Q	98.7	Very high	96.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-70.3	-34.2	177.1	-71.6	178.7	95.6	0	0	112.7	F665 T679 G680 W682 K694 F695 I696 A701 A702 L709	F665-Q698 HydrophobicContact CE2-CB 4.37Å; F665-Q698 HydrophobicContact CZ-CG 4.28Å; T679-Q698 VanDerWaalsContact CG2-OE1 3.22Å; T679-Q698 PolarHBondContact OG1-OE1 3.33Å; G680-Q698 PolarHBondContact O-NE2 3.07Å; W682-Q698 HydrophobicContact CE3-CG 4.14Å; K694-Q698 VanDerWaalsContact O-CG 3.31Å; K694-Q698 WeakPolarHBondContact O-CG 3.33Å; K694-Q698 PolarHBondContact O-N 3.12Å; K694-Q698 PolarHBondContact O-NE2 3.21Å; K694-Q698 VanDerWaalsContact O-NE2 3.16Å; F695-Q698 PolarHBondContact O-N 3.09Å; F695-Q698 VanDerWaalsContact O-N 3.13Å; I696-Q698 VanDerWaalsContact C-N 3.34Å; I696-Q698 PolarHBondContact O-N 3.36Å; Q698-A701 PolarHBondContact O-N 2.73Å; Q698-A702 VanDerWaalsContact O-CB 3.28Å; Q698-A702 WeakPolarHBondContact O-CB 3.48Å; Q698-A702 PolarHBondContact O-N 2.78Å; Q698-L709 HydrophobicContact CB-CD2 4.13Å
699	V	98.6	Very high	96.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.5	-40.5	172.4	171.6	0	0	0	0	111.4	P519 V521 F695 I696 G703 L709 I727 L740	P519-V699 HydrophobicContact CG-CG1 4.17Å; P519-V699 WeakPolarHBondContact CG-O 3.49Å; V521-V699 HydrophobicContact CG2-CG1 4.44Å; V521-V699 HydrophobicContact CG2-CG2 4.18Å; F695-V699 HydrophobicContact CD2-CG2 4.09Å; F695-V699 HydrophobicContact CE1-CG2 4.11Å; F695-V699 HydrophobicContact CE2-CG2 3.59Å; F695-V699 HydrophobicContact CZ-CG2 3.61Å; F695-V699 WeakPolarHBondContact O-CG2 3.13Å; F695-V699 PolarHBondContact O-N 2.66Å; I696-V699 PolarHBondContact O-N 3.3Å; V699-G703 PolarHBondContact O-N 2.93Å; V699-G703 VanDerWaalsContact O-N 3.07Å; V699-L709 HydrophobicContact CG2-CD2 3.76Å; V699-I727 HydrophobicContact CG1-CD1 3.92Å; V699-I727 HydrophobicContact CG2-CD1 4.03Å; V699-L740 HydrophobicContact CG1-CD2 4.24Å
700	I	97.3	Very high	97	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.2	-51	172.9	-67	164.7	0	0	0	110	W510 M658 I696 I697 A702 G703 V704 L740 F741 I744	W510-I700 HydrophobicContact CH2-CG2 3.93Å; W510-I700 HydrophobicContact CZ3-CG2 3.78Å; M658-I700 HydrophobicContact CG-CG2 3.85Å; I696-I700 HydrophobicContact CG2-CD1 4.18Å; I696-I700 WeakPolarHBondContact O-CG1 3.42Å; I696-I700 PolarHBondContact O-N 3.34Å; I697-I700 PolarHBondContact O-N 2.87Å; I700-A702 VanDerWaalsContact C-N 3.34Å; I700-A702 PolarHBondContact O-N 2.67Å; I700-G703 CarbonylContact O-C 3.57Å; I700-G703 PolarHBondContact O-N 3.49Å; I700-V704 HydrophobicContact CG2-CG2 4.32Å; I700-V704 WeakPolarHBondContact O-CG2 3.5Å; I700-V704 PolarHBondContact O-N 3.44Å; I700-L740 HydrophobicContact CD1-CG 4.19Å; I700-L740 HydrophobicContact CG1-CD2 4.11Å; I700-L740 HydrophobicContact CG1-CG 4.07Å; I700-F741 HydrophobicContact CD1-CB 4.17Å; I700-I744 HydrophobicContact CD1-CD1 3.43Å; I700-I744 VanDerWaalsContact CD1-CD1 3.43Å; I700-I744 HydrophobicContact CD1-CG1 4.08Å
701	A	96.9	Very high	97	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.1	-39.8	-178.8	0	0	0	0	0	113.5	A661 S662 F665 I697 Q698 V704 A705	A661-A701 HydrophobicContact CB-CB 3.61Å; S662-A701 WeakPolarHBondContact OG-CA 3.49Å; F665-A701 HydrophobicContact CD2-CB 3.69Å; F665-A701 HydrophobicContact CE2-CB 3.74Å; I697-A701 WeakPolarHBondContact O-CB 3.43Å; I697-A701 PolarHBondContact O-N 3.32Å; Q698-A701 PolarHBondContact O-N 2.73Å; A701-V704 PolarHBondContact O-N 3.27Å; A701-A705 PolarHBondContact O-N 2.97Å
702	A	97.4	Very high	96.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-67.7	-40.1	176.6	0	0	0	0	0	111.5	P519 F665 Q698 I700 A705 D706 R707 L709	P519-A702 HydrophobicContact CG-CB 4.27Å; F665-A702 HydrophobicContact CD2-CB 4.22Å; F665-A702 HydrophobicContact CE2-CB 4.45Å; Q698-A702 VanDerWaalsContact O-CB 3.28Å; Q698-A702 WeakPolarHBondContact O-CB 3.48Å; Q698-A702 PolarHBondContact O-N 2.78Å; I700-A702 VanDerWaalsContact C-N 3.34Å; I700-A702 PolarHBondContact O-N 2.67Å; A702-A705 PolarHBondContact O-N 3.29Å; A702-D706 PolarHBondContact O-N 2.89Å; A702-D706 VanDerWaalsContact O-N 3.07Å; A702-R707 PolarHBondContact O-N 3.34Å; A702-L709 HydrophobicContact CB-CB 4Å; A702-L709 HydrophobicContact CB-CD1 4.04Å; A702-L709 HydrophobicContact CB-CD2 4.41Å; A702-L709 HydrophobicContact CB-CG 4.39Å
703	G	95.1	Very high	96.8	Very high	4 Å²	4	7.5 Å²	7.5	4%	0.041	4%	0.044	C	C	.	.	H	α-helix	trans	-62.1	-39.1	170.5	0	0	0	0	0	113.3	R516 V699 I700 A705 D706	R516-G703 PolarHBondContact NE-O 3.14Å; R516-G703 PolarHBondContact NH1-O 2.99Å; R516-G703 PolarHBondContact NH2-O 3.39Å; R516-G703 VanDerWaalsContact NH2-O 3.17Å; V699-G703 PolarHBondContact O-N 2.93Å; V699-G703 VanDerWaalsContact O-N 3.07Å; I700-G703 CarbonylContact O-C 3.57Å; I700-G703 PolarHBondContact O-N 3.49Å; G703-A705 VanDerWaalsContact C-N 3.32Å; G703-A705 PolarHBondContact O-N 3.34Å; G703-D706 PolarHBondContact O-N 2.86Å
704	V	92.9	Very high	96.4	Very high	9 Å²	9	10.1 Å²	10.1	6%	0.055	6%	0.055	C	C	.	.	H	α-helix	trans	-64.3	-38.1	174.5	171.9	0	0	0	0	111.1	W510 R516 M666 I700 A701 D706	W510-V704 HydrophobicContact CD2-CG2 3.55Å; W510-V704 HydrophobicContact CE3-CG2 3.95Å; W510-V704 HydrophobicContact CG-CG2 3.92Å; W510-V704 HydrophobicContact CH2-CG2 4.32Å; W510-V704 HydrophobicContact CZ2-CG2 3.95Å; W510-V704 HydrophobicContact CZ3-CG2 4.31Å; R516-V704 PolarHBondContact NH1-O 2.94Å; R516-V704 PolarHBondContact NH2-O 3.4Å; R516-V704 VanDerWaalsContact NH2-O 3.1Å; M666-V704 HydrophobicContact SD-CG1 3.77Å; I700-V704 HydrophobicContact CG2-CG2 4.32Å; I700-V704 WeakPolarHBondContact O-CG2 3.5Å; I700-V704 PolarHBondContact O-N 3.44Å; A701-V704 PolarHBondContact O-N 3.27Å; V704-D706 VanDerWaalsContact C-N 3.32Å; V704-D706 PolarHBondContact O-N 3.05Å
705	A	92.9	Very high	95.9	Very high	18 Å²	18	12.6 Å²	12.6	15%	0.149	8%	0.082	C	C	.	.	H	α-helix	trans	-76.1	-10.7	176.5	0	0	0	0	0	115.1	F665 M666 A701 A702 G703 R707	F665-A705 HydrophobicContact CB-CB 3.72Å; M666-A705 HydrophobicContact CG-CB 3.86Å; A701-A705 PolarHBondContact O-N 2.97Å; A702-A705 PolarHBondContact O-N 3.29Å; G703-A705 VanDerWaalsContact C-N 3.32Å; G703-A705 PolarHBondContact O-N 3.34Å; A705-R707 HydrophobicContact CB-CB 4.5Å; A705-R707 HydrophobicContact CB-CG 4.17Å; A705-R707 WeakPolarHBondContact O-CG 3.43Å
706	D	93.9	Very high	95.6	Very high	83 Å²	83	15 Å²	15	44%	0.444	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	27.4	-171.9	-132.9	51.8	0	0	0	115.7	R516 T673 A702 G703 V704	R516-D706 IonicContact CZ-OD1 3.84Å; R516-D706 IonicContact NE-OD1 3.78Å; R516-D706 PolarHBondContact NE-OD1 3.22Å; R516-D706 VanDerWaalsContact NH2-CG 3.26Å; R516-D706 IonicContact NH2-OD1 2.75Å; R516-D706 PolarHBondContact NH2-OD1 2.98Å; T673-D706 VanDerWaalsContact CA-O 3.25Å; T673-D706 WeakPolarHBondContact CA-O 3.37Å; T673-D706 HydrophobicContact CG2-CB 4.07Å; A702-D706 PolarHBondContact O-N 2.89Å; A702-D706 VanDerWaalsContact O-N 3.07Å; G703-D706 PolarHBondContact O-N 2.86Å; V704-D706 VanDerWaalsContact C-N 3.32Å; V704-D706 PolarHBondContact O-N 3.05Å
707	R	96.3	Very high	95.3	Very high	5 Å²	5	18.4 Å²	18.4	2%	0.019	12%	0.115	C	C	.	.			trans	-122.7	140.9	-167	-60.7	177.7	69.3	-174.3	-2.2	112.9	T536 F665 F672 I675 P676 I677 A702 A705	T536-R707 PolarHBondContact OG1-NH1 2.98Å; T536-R707 VanDerWaalsContact OG1-NH1 3.08Å; T536-R707 PolarHBondContact OG1-NH2 3.42Å; F665-R707 PolarHBondContact O-NH1 3.35Å; F672-R707 PolarHBondContact O-NE 3.05Å; I675-R707 VanDerWaalsContact O-CZ 3.31Å; I675-R707 PolarHBondContact O-NE 3.37Å; I675-R707 PolarHBondContact O-NH2 2.9Å; P676-R707 PolarHBondContact O-NH2 3.42Å; I677-R707 VanDerWaalsContact CD1-CZ 3.44Å; I677-R707 HydrophobicContact CG1-CB 4.14Å; A702-R707 PolarHBondContact O-N 3.34Å; A705-R707 HydrophobicContact CB-CB 4.5Å; A705-R707 HydrophobicContact CB-CG 4.17Å; A705-R707 WeakPolarHBondContact O-CG 3.43Å
708	P	97.1	Very high	95	Very high	19 Å²	19	25.5 Å²	25.5	12%	0.123	15%	0.148	C	C	.	.			trans	-55.5	145.3	167.5	-26.9	33	0	0	0	112.5	E520 T673 P676 I677	E520-P708 HydrophobicContact CB-CB 4.08Å; E520-P708 HydrophobicContact CB-CG 4.27Å; E520-P708 WeakPolarHBondContact O-CA 3.36Å; T673-P708 WeakPolarHBondContact O-CD 3.42Å; P676-P708 WeakPolarHBondContact CA-O 3.34Å; P676-P708 HydrophobicContact CB-CB 4.22Å; I677-P708 PolarHBondContact N-O 2.97Å
709	L	98.1	Very high	94.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.7	176.7	-168.3	63.4	0	0	0	109.8	E520 V521 E522 F665 I677 T679 Q698 V699 A702 F711	E520-L709 PolarHBondContact O-N 3.26Å; V521-L709 WeakPolarHBondContact CA-O 3.33Å; V521-L709 HydrophobicContact CG1-CB 4.44Å; V521-L709 HydrophobicContact CG2-CB 4.3Å; E522-L709 PolarHBondContact N-O 3.24Å; F665-L709 HydrophobicContact CE2-CD1 4.46Å; I677-L709 HydrophobicContact CB-CD1 3.94Å; I677-L709 HydrophobicContact CG2-CD1 3.9Å; T679-L709 HydrophobicContact CG2-CD1 3.5Å; T679-L709 VanDerWaalsContact CG2-CD1 3.5Å; T679-L709 HydrophobicContact CG2-CG 4.19Å; Q698-L709 HydrophobicContact CB-CD2 4.13Å; V699-L709 HydrophobicContact CG2-CD2 3.76Å; A702-L709 HydrophobicContact CB-CB 4Å; A702-L709 HydrophobicContact CB-CD1 4.04Å; A702-L709 HydrophobicContact CB-CD2 4.41Å; A702-L709 HydrophobicContact CB-CG 4.39Å; L709-F711 HydrophobicContact CD2-CD2 4.22Å; L709-F711 HydrophobicContact CG-CD2 4.41Å
710	H	97.4	Very high	94.7	Very high	12 Å²	12	25.9 Å²	25.9	6%	0.056	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	111.7	174.7	-74.1	-147.7	0	0	0	107.8	E272 F524 P676 I677 V678 T679	E272-H710 IonicContact OE2-CE1 3.95Å; F524-H710 HydrophobicContact CD2-CB 4.21Å; F524-H710 HydrophobicContact CE2-CB 3.66Å; F524-H710 AromaticContact CE2-CG 3.62Å; F524-H710 AromaticContact CE2-ND1 3.48Å; F524-H710 WeakPolarHBondContact CE2-ND1 3.27Å; F524-H710 AromaticContact CZ-ND1 3.54Å; P676-H710 HydrophobicContact CB-CB 4.26Å; P676-H710 WeakPolarHBondContact CB-CD2 3.35Å; I677-H710 PolarHBondContact O-N 3.06Å; V678-H710 CarbonylContact C-O 3.58Å; V678-H710 WeakPolarHBondContact CA-O 3.42Å; V678-H710 HydrophobicContact CG2-CB 4.18Å; T679-H710 PolarHBondContact N-O 3.44Å
711	F	97.8	Very high	94.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	105.9	-166.6	-156	-76.7	0	0	0	111.6	E522 F523 F524 T679 G680 W681 F695 L709 S713	E522-F711 PolarHBondContact O-N 3.33Å; F523-F711 WeakPolarHBondContact CA-O 3.39Å; F523-F711 HydrophobicContact CD1-CB 3.93Å; F523-F711 AromaticContact CD1-CD1 3.88Å; F523-F711 HydrophobicContact CD1-CD1 3.88Å; F523-F711 HydrophobicContact CD1-CG 4.25Å; F523-F711 HydrophobicContact CD2-CB 4.37Å; F523-F711 HydrophobicContact CE1-CB 3.88Å; F523-F711 AromaticContact CE1-CD1 3.28Å; F523-F711 HydrophobicContact CE1-CD1 3.28Å; F523-F711 AromaticContact CE1-CE1 3.99Å; F523-F711 HydrophobicContact CE1-CE1 3.99Å; F523-F711 AromaticContact CE1-CG 3.74Å; F523-F711 HydrophobicContact CE1-CG 3.74Å; F523-F711 HydrophobicContact CE2-CB 4.31Å; F523-F711 HydrophobicContact CG-CB 4.18Å; F523-F711 HydrophobicContact CZ-CB 4.06Å; F523-F711 AromaticContact CZ-CD1 3.85Å; F523-F711 HydrophobicContact CZ-CD1 3.85Å; F523-F711 HydrophobicContact CZ-CE1 4.47Å; F523-F711 AromaticContact CZ-CG 3.92Å; F523-F711 HydrophobicContact CZ-CG 3.92Å; F524-F711 PolarHBondContact N-O 3.27Å; T679-F711 HydrophobicContact CG2-CD2 3.72Å; T679-F711 HydrophobicContact CG2-CE2 4.01Å; T679-F711 CarbonylContact O-C 3.38Å; T679-F711 WeakPolarHBondContact O-CA 3.43Å; G680-F711 WeakPolarHBondContact O-CE2 3.24Å; G680-F711 WeakPolarHBondContact O-CZ 3.26Å; W681-F711 AromaticContact CD2-CE1 3.82Å; W681-F711 HydrophobicContact CD2-CE1 3.82Å; W681-F711 HydrophobicContact CD2-CZ 4.15Å; W681-F711 AromaticContact CE2-CE1 3.97Å; W681-F711 AromaticContact CE3-CE1 3.56Å; W681-F711 HydrophobicContact CE3-CE1 3.56Å; W681-F711 AromaticContact CE3-CZ 3.54Å; W681-F711 HydrophobicContact CE3-CZ 3.54Å; W681-F711 HydrophobicContact CH2-CD1 4.43Å; W681-F711 AromaticContact CH2-CE1 3.56Å; W681-F711 HydrophobicContact CH2-CE1 3.56Å; W681-F711 HydrophobicContact CH2-CZ 4.14Å; W681-F711 AromaticContact CZ2-CE1 3.85Å; W681-F711 HydrophobicContact CZ2-CE1 3.85Å; W681-F711 AromaticContact CZ3-CE1 3.43Å; W681-F711 HydrophobicContact CZ3-CE1 3.43Å; W681-F711 VanDerWaalsContact CZ3-CE1 3.43Å; W681-F711 AromaticContact CZ3-CZ 3.54Å; W681-F711 HydrophobicContact CZ3-CZ 3.54Å; F695-F711 AromaticContact CD2-CD2 3.86Å; F695-F711 HydrophobicContact CD2-CD2 3.86Å; F695-F711 AromaticContact CD2-CE2 3.68Å; F695-F711 HydrophobicContact CD2-CE2 3.68Å; F695-F711 HydrophobicContact CD2-CG 4.43Å; F695-F711 HydrophobicContact CD2-CZ 4.1Å; F695-F711 HydrophobicContact CE2-CD2 4.2Å; F695-F711 HydrophobicContact CE2-CE2 4.46Å; L709-F711 HydrophobicContact CD2-CD2 4.22Å; L709-F711 HydrophobicContact CG-CD2 4.41Å; F711-S713 PolarHBondContact O-N 3.44Å
712	C	96.1	Very high	94.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	116.1	170.7	-63.5	0	0	0	0	109.5	F524 M527 I529 T679 G680 F714	F524-C712 WeakPolarHBondContact O-CA 3.31Å; M527-C712 WeakPolarHBondContact O-CB 3.35Å; M527-C712 PolarHBondContact O-SG 2.87Å; I529-C712 HydrophobicContact CG1-CB 4.31Å; T679-C712 WeakPolarHBondContact O-CB 3.19Å; T679-C712 PolarHBondContact O-N 3.36Å; G680-C712 WeakPolarHBondContact CA-O 3.46Å; C712-F714 VanDerWaalsContact C-N 3.34Å; C712-F714 HydrophobicContact CB-CD1 4.23Å; C712-F714 HydrophobicContact CB-CE1 3.79Å; C712-F714 HydrophobicContact CB-CE2 4.18Å; C712-F714 HydrophobicContact CB-CZ 3.77Å
713	S	94	Very high	94.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.			trans	-86.1	-7.9	178.5	83.5	0	0	0	0	113.6	F524 D525 W681 F711 G715 E716	F524-S713 PolarHBondContact O-N 3.31Å; D525-S713 WeakPolarHBondContact CA-OG 3.49Å; D525-S713 WeakPolarHBondContact OD1-CB 3.43Å; D525-S713 PolarHBondContact OD1-OG 3.35Å; W681-S713 PolarHBondContact NE1-O 3.45Å; F711-S713 PolarHBondContact O-N 3.44Å; S713-G715 VanDerWaalsContact C-N 3.29Å; S713-G715 PolarHBondContact O-N 3.16Å; S713-E716 WeakPolarHBondContact O-CB 3.36Å; S713-E716 PolarHBondContact O-N 3.17Å; S713-E716 PolarHBondContact OG-N 3.02Å
714	F	90.9	Very high	94.8	Very high	58 Å²	58	35.7 Å²	35.7	25%	0.254	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	39.3	179.3	-55.6	-64.4	0	0	0	114.2	L528 I529 F540 W681 C712	L528-F714 HydrophobicContact CD2-CD1 3.97Å; L528-F714 HydrophobicContact CD2-CE1 4.12Å; I529-F714 HydrophobicContact CD1-CZ 3.88Å; I529-F714 HydrophobicContact CG1-CE1 4.49Å; I529-F714 HydrophobicContact CG1-CZ 4.02Å; F540-F714 HydrophobicContact CE2-CE2 4.08Å; F540-F714 HydrophobicContact CE2-CZ 4.39Å; F540-F714 HydrophobicContact CZ-CE2 4.21Å; F540-F714 HydrophobicContact CZ-CZ 4.44Å; W681-F714 AromaticContact CD1-CD2 3.84Å; C712-F714 VanDerWaalsContact C-N 3.34Å; C712-F714 HydrophobicContact CB-CD1 4.23Å; C712-F714 HydrophobicContact CB-CE1 3.79Å; C712-F714 HydrophobicContact CB-CE2 4.18Å; C712-F714 HydrophobicContact CB-CZ 3.77Å
715	G	87.6	Confident	95	Very high	54 Å²	54	42.5 Å²	42.5	56%	0.557	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.2	19.5	-179.6	0	0	0	0	0	114.9	D525 S713 P717	D525-G715 PolarHBondContact O-N 3.36Å; S713-G715 VanDerWaalsContact C-N 3.29Å; S713-G715 PolarHBondContact O-N 3.16Å; G715-P717 WeakPolarHBondContact O-CD 3.36Å
716	E	92.2	Very high	95.2	Very high	50 Å²	50	42 Å²	42	23%	0.234	23%	0.225	C	C	.	.			trans	-109.6	61.1	178.1	-60.7	-177.8	-132.9	0	0	112.9	W681 K691 S713 E718 L719 A720	W681-E716 PolarHBondContact NE1-OE1 3.35Å; K691-E716 IonicContact NZ-OE1 2.81Å; K691-E716 PolarHBondContact NZ-OE1 3.09Å; K691-E716 IonicContact NZ-OE2 2.66Å; K691-E716 PolarHBondContact NZ-OE2 3.49Å; S713-E716 WeakPolarHBondContact O-CB 3.36Å; S713-E716 PolarHBondContact O-N 3.17Å; S713-E716 PolarHBondContact OG-N 3.02Å; E716-E718 VanDerWaalsContact C-N 3.28Å; E716-E718 PolarHBondContact O-N 3.36Å; E716-L719 HydrophobicContact CB-CB 4.22Å; E716-L719 PolarHBondContact O-N 3.08Å; E716-L719 VanDerWaalsContact O-N 3.13Å; E716-L719 WeakPolarHBondContact OE2-CD2 3.37Å; E716-A720 PolarHBondContact O-N 3.38Å
717	P	91.1	Very high	95.4	Very high	71 Å²	71	38.5 Å²	38.5	46%	0.461	21%	0.206	S	C	.	.	H	α-helix	trans	-65.8	-26.5	-171.1	28.4	-36.9	0	0	0	113.6	G715 A721	G715-P717 WeakPolarHBondContact O-CD 3.36Å; P717-A721 VanDerWaalsContact O-CB 3.27Å; P717-A721 WeakPolarHBondContact O-CB 3.38Å; P717-A721 PolarHBondContact O-N 3.12Å
718	E	94.1	Very high	95.4	Very high	152 Å²	152	43.3 Å²	43.3	71%	0.71	23%	0.228	S	C	*	.	H	α-helix	trans	-68.7	-40.4	174.8	-67.2	-170.5	-165.5	0	0	112.2	E716 A721 K722	E716-E718 VanDerWaalsContact C-N 3.28Å; E716-E718 PolarHBondContact O-N 3.36Å; E718-A721 PolarHBondContact O-N 3.19Å; E718-K722 WeakPolarHBondContact O-CG 3.43Å; E718-K722 PolarHBondContact O-N 3.03Å; E718-K722 VanDerWaalsContact O-N 3.11Å
719	L	94.7	Very high	95.3	Very high	9 Å²	9	45.4 Å²	45.4	5%	0.047	23%	0.234	C	C	.	.	H	α-helix	trans	-70.5	-42.1	175.1	178.5	57.2	0	0	0	110.1	W681 K691 E716 A721 K722 C723 F756	W681-L719 HydrophobicContact CH2-CD2 3.46Å; W681-L719 VanDerWaalsContact CH2-CD2 3.46Å; W681-L719 HydrophobicContact CH2-CG 3.56Å; W681-L719 HydrophobicContact CZ2-CB 4.4Å; W681-L719 HydrophobicContact CZ2-CD2 3.45Å; W681-L719 VanDerWaalsContact CZ2-CD2 3.45Å; W681-L719 HydrophobicContact CZ2-CG 3.77Å; W681-L719 HydrophobicContact CZ3-CD2 3.99Å; W681-L719 HydrophobicContact CZ3-CG 4.38Å; K691-L719 HydrophobicContact CB-CD2 3.99Å; K691-L719 HydrophobicContact CD-CD2 3.55Å; K691-L719 HydrophobicContact CG-CD2 4.4Å; E716-L719 HydrophobicContact CB-CB 4.22Å; E716-L719 PolarHBondContact O-N 3.08Å; E716-L719 VanDerWaalsContact O-N 3.13Å; E716-L719 WeakPolarHBondContact OE2-CD2 3.37Å; L719-A721 VanDerWaalsContact C-N 3.3Å; L719-A721 PolarHBondContact O-N 3.42Å; L719-K722 PolarHBondContact O-N 3.02Å; L719-C723 PolarHBondContact O-N 3.23Å; L719-C723 PolarHBondContact O-SG 3.44Å; L719-F756 HydrophobicContact CD1-CE1 3.58Å; L719-F756 HydrophobicContact CD1-CZ 4.04Å
720	A	94.8	Very high	95.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.7	-40.9	171.9	0	0	0	0	0	112.2	F523 D525 E716 C723 K724	F523-A720 HydrophobicContact CD1-CB 3.6Å; F523-A720 HydrophobicContact CE1-CB 3.99Å; F523-A720 HydrophobicContact CG-CB 4.28Å; D525-A720 VanDerWaalsContact OD1-CB 3.25Å; D525-A720 WeakPolarHBondContact OD1-CB 3.38Å; E716-A720 PolarHBondContact O-N 3.38Å; A720-C723 WeakPolarHBondContact O-CB 3.23Å; A720-C723 PolarHBondContact O-N 2.96Å; A720-K724 WeakPolarHBondContact O-CB 3.33Å; A720-K724 VanDerWaalsContact O-CG 3.24Å; A720-K724 WeakPolarHBondContact O-CG 3.43Å; A720-K724 PolarHBondContact O-N 3.29Å
721	A	96.3	Very high	95.1	Very high	51 Å²	51	49.2 Å²	49.2	42%	0.421	25%	0.25	S	S	.	.	H	α-helix	trans	-64.1	-39.5	175.6	0	0	0	0	0	112.8	P717 E718 L719 K725	P717-A721 VanDerWaalsContact O-CB 3.27Å; P717-A721 WeakPolarHBondContact O-CB 3.38Å; P717-A721 PolarHBondContact O-N 3.12Å; E718-A721 PolarHBondContact O-N 3.19Å; L719-A721 VanDerWaalsContact C-N 3.3Å; L719-A721 PolarHBondContact O-N 3.42Å; A721-K725 WeakPolarHBondContact O-CB 3.34Å; A721-K725 PolarHBondContact O-N 3.14Å
722	K	97.3	Very high	95	Very high	88 Å²	88	56.2 Å²	56.2	38%	0.383	28%	0.283	S	S	.	.	H	α-helix	trans	-63.6	-41.3	172.1	-67.1	168.3	-171.9	170.7	0	111.4	E718 L719 K725 I726 F756 F759	E718-K722 WeakPolarHBondContact O-CG 3.43Å; E718-K722 PolarHBondContact O-N 3.03Å; E718-K722 VanDerWaalsContact O-N 3.11Å; L719-K722 PolarHBondContact O-N 3.02Å; K722-K725 PolarHBondContact O-N 2.81Å; K722-I726 PolarHBondContact O-N 2.91Å; K722-F756 HydrophobicContact CD-CD1 3.99Å; K722-F756 HydrophobicContact CD-CE1 3.37Å; K722-F756 HydrophobicContact CD-CE2 4.44Å; K722-F756 HydrophobicContact CD-CZ 3.67Å; K722-F759 HydrophobicContact CB-CD2 4.48Å; K722-F759 HydrophobicContact CB-CE2 4.23Å
723	C	97.6	Very high	94.8	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-45	176.8	-62.3	0	0	0	0	112.5	F523 F695 L719 A720 I726 I727	F523-C723 HydrophobicContact CE1-CB 4.03Å; F523-C723 HydrophobicContact CE2-CB 3.62Å; F523-C723 HydrophobicContact CZ-CB 3.23Å; F695-C723 HydrophobicContact CD1-CB 4.05Å; F695-C723 HydrophobicContact CE1-CB 3.71Å; F695-C723 HydrophobicContact CE2-CB 4.37Å; F695-C723 HydrophobicContact CZ-CB 3.89Å; L719-C723 PolarHBondContact O-N 3.23Å; L719-C723 PolarHBondContact O-SG 3.44Å; A720-C723 WeakPolarHBondContact O-CB 3.23Å; A720-C723 PolarHBondContact O-N 2.96Å; C723-I726 WeakPolarHBondContact O-CG2 3.37Å; C723-I726 PolarHBondContact O-N 3.24Å; C723-I727 WeakPolarHBondContact O-CG1 3.34Å; C723-I727 PolarHBondContact O-N 2.88Å; C723-I727 VanDerWaalsContact O-N 3.13Å
724	K	97.3	Very high	94.7	Very high	70 Å²	70	66.6 Å²	66.6	30%	0.304	34%	0.335	S	S	.	.	H	α-helix	trans	-54.6	-53.8	172.3	-70.9	161.8	-173.8	168.1	0	110.3	F523 D525 A720 I726 I727 E728	F523-K724 HydrophobicContact CB-CD 4.41Å; F523-K724 HydrophobicContact CB-CG 4.42Å; F523-K724 HydrophobicContact CD2-CG 4.01Å; F523-K724 HydrophobicContact CG-CG 4.39Å; D525-K724 IonicContact OD2-NZ 2.81Å; D525-K724 PolarHBondContact OD2-NZ 3.37Å; A720-K724 WeakPolarHBondContact O-CB 3.33Å; A720-K724 VanDerWaalsContact O-CG 3.24Å; A720-K724 WeakPolarHBondContact O-CG 3.43Å; A720-K724 PolarHBondContact O-N 3.29Å; K724-I726 PolarHBondContact O-N 3.46Å; K724-I727 PolarHBondContact O-N 3.09Å; K724-E728 WeakPolarHBondContact O-CG 3.36Å; K724-E728 PolarHBondContact O-N 2.88Å
725	K	97.3	Very high	94.9	Very high	152 Å²	152	64 Å²	64	66%	0.661	32%	0.324	S	S	*	.	H	α-helix	trans	-59.7	-38	-178.6	-173.9	176.3	-179.6	180	0	114.1	A721 K722 R729	A721-K725 WeakPolarHBondContact O-CB 3.34Å; A721-K725 PolarHBondContact O-N 3.14Å; K722-K725 PolarHBondContact O-N 2.81Å; K725-R729 WeakPolarHBondContact O-CB 3.2Å; K725-R729 PolarHBondContact O-N 2.96Å
726	I	97.3	Very high	95.2	Very high	8 Å²	8	62.4 Å²	62.4	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-75.1	-35.4	177.6	-165.3	163.8	0	0	0	112.3	K722 C723 K724 R729 M730 F759 I762	K722-I726 PolarHBondContact O-N 2.91Å; C723-I726 WeakPolarHBondContact O-CG2 3.37Å; C723-I726 PolarHBondContact O-N 3.24Å; K724-I726 PolarHBondContact O-N 3.46Å; I726-R729 PolarHBondContact O-N 3.49Å; I726-M730 HydrophobicContact CG1-CE 4.3Å; I726-M730 WeakPolarHBondContact O-CB 3.12Å; I726-M730 VanDerWaalsContact O-CG 3.28Å; I726-M730 WeakPolarHBondContact O-CG 3.25Å; I726-M730 PolarHBondContact O-N 2.84Å; I726-F759 HydrophobicContact CD1-CB 3.73Å; I726-F759 HydrophobicContact CD1-CD1 3.71Å; I726-F759 HydrophobicContact CD1-CD2 4.47Å; I726-F759 HydrophobicContact CD1-CE1 4.47Å; I726-F759 HydrophobicContact CD1-CG 3.72Å; I726-F759 HydrophobicContact CG2-CD1 4.29Å; I726-F759 HydrophobicContact CG2-CD2 4.36Å; I726-F759 HydrophobicContact CG2-CE1 4.06Å; I726-F759 HydrophobicContact CG2-CE2 4.15Å; I726-F759 HydrophobicContact CG2-CG 4.45Å; I726-F759 HydrophobicContact CG2-CZ 4Å; I726-I762 HydrophobicContact CD1-CB 4Å; I726-I762 HydrophobicContact CD1-CD1 4.36Å; I726-I762 HydrophobicContact CD1-CG2 3.82Å; I726-I762 HydrophobicContact CG1-CG2 4.24Å
727	I	97.8	Very high	95.3	Very high	9 Å²	9	60 Å²	60	5%	0.046	29%	0.292	C	S	.	.	H	α-helix	trans	-62.1	-45.8	171.1	-66.8	-72.2	0	0	0	110.8	V521 F695 V699 C723 K724 M730 K731	V521-I727 HydrophobicContact CG2-CD1 4.23Å; F695-I727 HydrophobicContact CE1-CD1 4.06Å; F695-I727 HydrophobicContact CE1-CG1 3.91Å; F695-I727 HydrophobicContact CZ-CD1 3.88Å; F695-I727 HydrophobicContact CZ-CG1 3.66Å; V699-I727 HydrophobicContact CG1-CD1 3.92Å; V699-I727 HydrophobicContact CG2-CD1 4.03Å; C723-I727 WeakPolarHBondContact O-CG1 3.34Å; C723-I727 PolarHBondContact O-N 2.88Å; C723-I727 VanDerWaalsContact O-N 3.13Å; K724-I727 PolarHBondContact O-N 3.09Å; I727-M730 HydrophobicContact CD1-CE 3.76Å; I727-M730 HydrophobicContact CG1-CE 4.45Å; I727-M730 PolarHBondContact O-N 2.89Å; I727-K731 HydrophobicContact CG2-CD 4.06Å; I727-K731 WeakPolarHBondContact O-CG 3.04Å; I727-K731 PolarHBondContact O-N 2.96Å
728	E	96.5	Very high	95.4	Very high	106 Å²	106	56.8 Å²	56.8	50%	0.495	27%	0.271	S	S	.	.	H	α-helix	trans	-56.9	-49.7	174.8	-71.9	161.9	-167.4	0	0	111.4	K724 M730 K731 Q732	K724-E728 WeakPolarHBondContact O-CG 3.36Å; K724-E728 PolarHBondContact O-N 2.88Å; E728-M730 VanDerWaalsContact C-N 3.32Å; E728-M730 PolarHBondContact O-N 3.49Å; E728-K731 PolarHBondContact O-N 3.14Å; E728-Q732 WeakPolarHBondContact O-CB 3.35Å; E728-Q732 VanDerWaalsContact O-CG 3.27Å; E728-Q732 WeakPolarHBondContact O-CG 3.26Å; E728-Q732 PolarHBondContact O-N 2.97Å
729	R	96.4	Very high	95.4	Very high	64 Å²	64	52.1 Å²	52.1	24%	0.242	25%	0.25	C	S	.	.	H	α-helix	trans	-62.9	-36.5	178.7	-166.6	-176.3	179.8	-160.3	-5.6	112.7	K725 I726 K733 S763 L766 S767	K725-R729 WeakPolarHBondContact O-CB 3.2Å; K725-R729 PolarHBondContact O-N 2.96Å; I726-R729 PolarHBondContact O-N 3.49Å; R729-K733 PolarHBondContact O-N 3.22Å; R729-S763 VanDerWaalsContact NH1-CB 3.32Å; R729-S763 PolarHBondContact NH1-O 3.45Å; R729-L766 HydrophobicContact CB-CD1 4.46Å; R729-L766 HydrophobicContact CG-CD1 4.01Å; R729-S767 PolarHBondContact NH2-OG 3.05Å
730	M	96.2	Very high	95.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-70.3	-38.5	175.5	-73.3	-173.9	-59.5	0	0	112.2	L518 I696 I726 I727 E728 K733 D734 V735 L740 I762 L766	L518-M730 HydrophobicContact CD1-CB 3.7Å; L518-M730 HydrophobicContact CD1-CE 4Å; L518-M730 HydrophobicContact CD1-SD 4.43Å; I696-M730 HydrophobicContact CD1-CE 4.04Å; I726-M730 HydrophobicContact CG1-CE 4.3Å; I726-M730 WeakPolarHBondContact O-CB 3.12Å; I726-M730 VanDerWaalsContact O-CG 3.28Å; I726-M730 WeakPolarHBondContact O-CG 3.25Å; I726-M730 PolarHBondContact O-N 2.84Å; I727-M730 HydrophobicContact CD1-CE 3.76Å; I727-M730 HydrophobicContact CG1-CE 4.45Å; I727-M730 PolarHBondContact O-N 2.89Å; E728-M730 VanDerWaalsContact C-N 3.32Å; E728-M730 PolarHBondContact O-N 3.49Å; M730-K733 CarbonylContact O-C 3.53Å; M730-K733 PolarHBondContact O-N 2.85Å; M730-D734 PolarHBondContact O-N 3.29Å; M730-V735 HydrophobicContact CB-CB 3.98Å; M730-V735 HydrophobicContact CB-CG1 4.46Å; M730-V735 HydrophobicContact CB-CG2 3.93Å; M730-V735 HydrophobicContact CG-CB 4.47Å; M730-V735 HydrophobicContact CG-CG2 4.16Å; M730-V735 WeakPolarHBondContact O-CB 3.28Å; M730-V735 VanDerWaalsContact O-CG2 3.3Å; M730-V735 WeakPolarHBondContact O-CG2 3.47Å; M730-V735 PolarHBondContact O-N 3.15Å; M730-V735 VanDerWaalsContact O-N 3.13Å; M730-L740 HydrophobicContact CE-CD1 4.38Å; M730-L740 HydrophobicContact CE-CD2 4.24Å; M730-L740 HydrophobicContact SD-CD1 3.53Å; M730-L740 VanDerWaalsContact SD-CD1 3.53Å; M730-L740 HydrophobicContact SD-CD2 4.18Å; M730-L740 HydrophobicContact SD-CG 4.42Å; M730-I762 HydrophobicContact CG-CG2 4.28Å; M730-I762 HydrophobicContact SD-CG2 3.9Å; M730-L766 HydrophobicContact CG-CD1 3.77Å; M730-L766 HydrophobicContact CG-CD2 4.47Å
731	K	94.5	Very high	95.4	Very high	92 Å²	92	52.3 Å²	52.3	40%	0.4	25%	0.251	S	S	.	.	H	α-helix	trans	-66.6	-35.9	173.6	-72.3	-178.9	176.8	-175.6	0	112	L518 P519 I727 E728 K733 D734	L518-K731 HydrophobicContact CD1-CG 4.47Å; P519-K731 WeakPolarHBondContact O-CE 3.38Å; P519-K731 PolarHBondContact O-NZ 3.16Å; I727-K731 HydrophobicContact CG2-CD 4.06Å; I727-K731 WeakPolarHBondContact O-CG 3.04Å; I727-K731 PolarHBondContact O-N 2.96Å; E728-K731 PolarHBondContact O-N 3.14Å; K731-K733 PolarHBondContact O-N 2.99Å; K731-D734 PolarHBondContact O-N 2.98Å
732	Q	94.6	Very high	95.2	Very high	147 Å²	147	52.2 Å²	52.2	69%	0.687	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-6.6	172.5	-71.3	167.8	4.1	0	0	114.7	E728	E728-Q732 WeakPolarHBondContact O-CB 3.35Å; E728-Q732 VanDerWaalsContact O-CG 3.27Å; E728-Q732 WeakPolarHBondContact O-CG 3.26Å; E728-Q732 PolarHBondContact O-N 2.97Å
733	K	93.2	Very high	95.1	Very high	77 Å²	77	49 Å²	49	34%	0.335	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	20.5	179.5	-68.1	-63.3	-168.5	-176.2	0	112.2	R729 M730 K731 V735 L766 E770	R729-K733 PolarHBondContact O-N 3.22Å; M730-K733 CarbonylContact O-C 3.53Å; M730-K733 PolarHBondContact O-N 2.85Å; K731-K733 PolarHBondContact O-N 2.99Å; K733-V735 HydrophobicContact CB-CG2 4.17Å; K733-V735 PolarHBondContact O-N 3.32Å; K733-L766 HydrophobicContact CB-CD2 4.09Å; K733-L766 HydrophobicContact CG-CD2 4.39Å; K733-E770 WeakPolarHBondContact CE-OE1 3.35Å; K733-E770 IonicContact NZ-OE1 3.75Å; K733-E770 PolarHBondContact NZ-OE1 3.25Å
734	D	92.2	Very high	94.9	Very high	140 Å²	140	49 Å²	49	75%	0.749	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	36.2	177.7	-62.2	-58	0	0	0	114.3	M730 K731 T736	M730-D734 PolarHBondContact O-N 3.29Å; K731-D734 PolarHBondContact O-N 2.98Å; D734-T736 PolarHBondContact O-N 2.66Å
735	V	94.1	Very high	94.6	Very high	5 Å²	5	47 Å²	47	3%	0.03	23%	0.226	C	C	.	.			trans	-66.8	119.1	-176.9	176.5	0	0	0	0	110.3	L518 M730 K733 M739 L740 M743 L766	L518-V735 WeakPolarHBondContact CG-O 3.21Å; M730-V735 HydrophobicContact CB-CB 3.98Å; M730-V735 HydrophobicContact CB-CG1 4.46Å; M730-V735 HydrophobicContact CB-CG2 3.93Å; M730-V735 HydrophobicContact CG-CB 4.47Å; M730-V735 HydrophobicContact CG-CG2 4.16Å; M730-V735 WeakPolarHBondContact O-CB 3.28Å; M730-V735 VanDerWaalsContact O-CG2 3.3Å; M730-V735 WeakPolarHBondContact O-CG2 3.47Å; M730-V735 PolarHBondContact O-N 3.15Å; M730-V735 VanDerWaalsContact O-N 3.13Å; K733-V735 HydrophobicContact CB-CG2 4.17Å; K733-V735 PolarHBondContact O-N 3.32Å; V735-M739 HydrophobicContact CG1-CB 4.05Å; V735-M739 HydrophobicContact CG2-CE 4.45Å; V735-L740 HydrophobicContact CG1-CB 4.01Å; V735-M743 HydrophobicContact CG1-CE 4.43Å; V735-M743 HydrophobicContact CG2-CE 4.4Å; V735-L766 HydrophobicContact CG2-CD2 3.53Å
736	T	94.3	Very high	94.3	Very high	19 Å²	19	43 Å²	43	12%	0.117	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-83.2	162.6	172.5	58	0	0	0	0	112.3	K513 R516 D734 G738 M739 L740	K513-T736 WeakPolarHBondContact O-CG2 3.37Å; K513-T736 PolarHBondContact O-OG1 2.9Å; R516-T736 CarbonylContact O-C 3.46Å; R516-T736 WeakPolarHBondContact O-CA 3.29Å; R516-T736 WeakPolarHBondContact O-CB 3.47Å; D734-T736 PolarHBondContact O-N 2.66Å; T736-G738 VanDerWaalsContact C-N 3.26Å; T736-G738 PolarHBondContact O-N 3.3Å; T736-M739 WeakPolarHBondContact O-CB 3.22Å; T736-M739 PolarHBondContact O-N 2.88Å; T736-M739 WeakPolarHBondContact OG1-CG 3.41Å; T736-M739 PolarHBondContact OG1-N 3.5Å; T736-L740 PolarHBondContact O-N 2.9Å
737	L	94.1	Very high	93.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.6	-40.7	176.6	-63.7	177	0	0	0	112.2	W510 R516 S517 L518 L740 F741	W510-L737 HydrophobicContact CE3-CB 4.24Å; R516-L737 HydrophobicContact CB-CD1 3.84Å; R516-L737 HydrophobicContact CB-CG 4.22Å; R516-L737 HydrophobicContact CG-CD1 3.83Å; R516-L737 PolarHBondContact O-N 2.9Å; S517-L737 WeakPolarHBondContact O-CG 3.29Å; L518-L737 HydrophobicContact CD2-CD2 3.85Å; L737-L740 PolarHBondContact O-N 3.27Å; L737-F741 WeakPolarHBondContact O-CB 3.3Å; L737-F741 PolarHBondContact O-N 2.79Å
738	G	92.9	Very high	93.3	Very high	3 Å²	3	44.2 Å²	44.2	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-37.4	174.6	0	0	0	0	0	113.8	W510 K511 T736 S742	W510-G738 PolarHBondContact O-N 3.28Å; K511-G738 WeakPolarHBondContact O-CA 3.37Å; T736-G738 VanDerWaalsContact C-N 3.26Å; T736-G738 PolarHBondContact O-N 3.3Å; G738-S742 VanDerWaalsContact O-CB 3.22Å; G738-S742 WeakPolarHBondContact O-CB 3.43Å; G738-S742 PolarHBondContact O-N 2.73Å
739	M	94.2	Very high	93.1	Very high	55 Å²	55	43.3 Å²	43.3	27%	0.271	23%	0.227	S	C	.	.	H	α-helix	trans	-65.6	-46.3	171.7	-73.6	168.9	59.2	0	0	111.5	K513 V735 T736 S742 M743	K513-M739 HydrophobicContact CB-CG 4.08Å; K513-M739 HydrophobicContact CD-CG 4.3Å; K513-M739 HydrophobicContact CG-CG 4Å; V735-M739 HydrophobicContact CG1-CB 4.05Å; V735-M739 HydrophobicContact CG2-CE 4.45Å; T736-M739 WeakPolarHBondContact O-CB 3.22Å; T736-M739 PolarHBondContact O-N 2.88Å; T736-M739 WeakPolarHBondContact OG1-CG 3.41Å; T736-M739 PolarHBondContact OG1-N 3.5Å; M739-S742 CarbonylContact O-C 3.56Å; M739-S742 WeakPolarHBondContact O-CB 3.04Å; M739-S742 PolarHBondContact O-N 3.2Å; M739-M743 WeakPolarHBondContact O-CG 3.46Å; M739-M743 PolarHBondContact O-N 3.02Å
740	L	95.3	Very high	92.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-43.9	179.3	-177.1	50.9	0	0	0	112.4	L518 I696 V699 I700 M730 V735 T736 L737 S742 M743 I744 I762	L518-L740 HydrophobicContact CD1-CD2 4.49Å; L518-L740 HydrophobicContact CD2-CB 4.34Å; L518-L740 HydrophobicContact CD2-CD2 3.65Å; I696-L740 HydrophobicContact CG2-CD1 3.67Å; I696-L740 HydrophobicContact CG2-CD2 4.05Å; I696-L740 HydrophobicContact CG2-CG 3.84Å; V699-L740 HydrophobicContact CG1-CD2 4.24Å; I700-L740 HydrophobicContact CD1-CG 4.19Å; I700-L740 HydrophobicContact CG1-CD2 4.11Å; I700-L740 HydrophobicContact CG1-CG 4.07Å; M730-L740 HydrophobicContact CE-CD1 4.38Å; M730-L740 HydrophobicContact CE-CD2 4.24Å; M730-L740 HydrophobicContact SD-CD1 3.53Å; M730-L740 VanDerWaalsContact SD-CD1 3.53Å; M730-L740 HydrophobicContact SD-CD2 4.18Å; M730-L740 HydrophobicContact SD-CG 4.42Å; V735-L740 HydrophobicContact CG1-CB 4.01Å; T736-L740 PolarHBondContact O-N 2.9Å; L737-L740 PolarHBondContact O-N 3.27Å; L740-S742 VanDerWaalsContact C-N 3.33Å; L740-S742 PolarHBondContact O-N 3.31Å; L740-M743 WeakPolarHBondContact O-CB 3.47Å; L740-M743 PolarHBondContact O-N 3.39Å; L740-M743 VanDerWaalsContact O-N 3.16Å; L740-I744 PolarHBondContact O-N 2.98Å; L740-I762 HydrophobicContact CD1-CD1 3.99Å
741	F	94.2	Very high	92.6	Very high	13 Å²	13	50.1 Å²	50.1	6%	0.057	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-43	172	176.2	-103.7	0	0	0	111.5	W510 K511 I655 M658 I700 L737 M743 I744 N745	W510-F741 HydrophobicContact CH2-CB 4.41Å; W510-F741 HydrophobicContact CH2-CD2 4.1Å; W510-F741 HydrophobicContact CH2-CG 4.09Å; W510-F741 HydrophobicContact CZ3-CB 3.86Å; W510-F741 HydrophobicContact CZ3-CD2 4.4Å; W510-F741 AromaticContact CZ3-CG 4Å; W510-F741 HydrophobicContact CZ3-CG 4Å; K511-F741 HydrophobicContact CD-CD1 4Å; K511-F741 HydrophobicContact CD-CE1 3.73Å; K511-F741 HydrophobicContact CD-CZ 4.5Å; K511-F741 HydrophobicContact CG-CD1 3.99Å; K511-F741 HydrophobicContact CG-CE1 4.24Å; I655-F741 HydrophobicContact CD1-CZ 4.4Å; I655-F741 HydrophobicContact CG1-CE2 4.16Å; I655-F741 HydrophobicContact CG1-CZ 4Å; M658-F741 HydrophobicContact CE-CE2 4.19Å; I700-F741 HydrophobicContact CD1-CB 4.17Å; L737-F741 WeakPolarHBondContact O-CB 3.3Å; L737-F741 PolarHBondContact O-N 2.79Å; F741-M743 VanDerWaalsContact C-N 3.29Å; F741-M743 PolarHBondContact O-N 2.71Å; F741-I744 WeakPolarHBondContact O-CG1 3.45Å; F741-I744 PolarHBondContact O-N 2.6Å; F741-N745 HydrophobicContact CE1-CB 4.48Å; F741-N745 HydrophobicContact CZ-CB 4.34Å; F741-N745 WeakPolarHBondContact O-CB 3.17Å; F741-N745 PolarHBondContact O-N 3.32Å
742	S	92.6	Very high	92.5	Very high	48 Å²	48	53.4 Å²	53.4	34%	0.336	28%	0.276	S	S	.	.	H	α-helix	trans	-64.9	-29.6	175.3	-174.4	0	0	0	0	113.2	G738 M739 L740 N746	G738-S742 VanDerWaalsContact O-CB 3.22Å; G738-S742 WeakPolarHBondContact O-CB 3.43Å; G738-S742 PolarHBondContact O-N 2.73Å; M739-S742 CarbonylContact O-C 3.56Å; M739-S742 WeakPolarHBondContact O-CB 3.04Å; M739-S742 PolarHBondContact O-N 3.2Å; L740-S742 VanDerWaalsContact C-N 3.33Å; L740-S742 PolarHBondContact O-N 3.31Å; S742-N746 WeakPolarHBondContact O-CB 3.27Å; S742-N746 PolarHBondContact O-ND2 3.38Å
743	M	94.4	Very high	92.5	Very high	20 Å²	20	50.1 Å²	50.1	10%	0.099	26%	0.26	C	S	.	.	H	α-helix	trans	-70.9	-51.3	173.9	-69.3	171.3	-169.2	0	0	110.8	V735 M739 L740 F741 N745 N746 T747 I762 Y765 L766	V735-M743 HydrophobicContact CG1-CE 4.43Å; V735-M743 HydrophobicContact CG2-CE 4.4Å; M739-M743 WeakPolarHBondContact O-CG 3.46Å; M739-M743 PolarHBondContact O-N 3.02Å; L740-M743 WeakPolarHBondContact O-CB 3.47Å; L740-M743 PolarHBondContact O-N 3.39Å; L740-M743 VanDerWaalsContact O-N 3.16Å; F741-M743 VanDerWaalsContact C-N 3.29Å; F741-M743 PolarHBondContact O-N 2.71Å; M743-N745 PolarHBondContact O-N 2.7Å; M743-N746 CarbonylContact O-C 3.59Å; M743-N746 PolarHBondContact O-N 2.89Å; M743-T747 PolarHBondContact O-N 3.04Å; M743-I762 HydrophobicContact CB-CG1 4.24Å; M743-I762 HydrophobicContact SD-CG2 4.11Å; M743-Y765 HydrophobicContact CB-CD2 3.98Å; M743-Y765 HydrophobicContact CB-CE2 4.34Å; M743-Y765 HydrophobicContact CG-CD2 3.83Å; M743-Y765 HydrophobicContact CG-CE2 4.48Å; M743-Y765 HydrophobicContact CG-CG 4.03Å; M743-L766 HydrophobicContact CE-CD2 3.96Å
744	I	94.6	Very high	92.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.6	-37.6	-179	65.5	167.5	0	0	0	112.7	I654 I696 I697 I700 L740 F741 N746 T747 V758 I762	I654-I744 WeakPolarHBondContact CD1-O 3.19Å; I654-I744 HydrophobicContact CG2-CD1 3.62Å; I654-I744 HydrophobicContact CG2-CG1 4.14Å; I696-I744 HydrophobicContact CB-CG2 4.39Å; I696-I744 HydrophobicContact CG2-CD1 4.36Å; I696-I744 HydrophobicContact CG2-CG2 3.58Å; I697-I744 HydrophobicContact CG1-CD1 4.09Å; I700-I744 HydrophobicContact CD1-CD1 3.43Å; I700-I744 VanDerWaalsContact CD1-CD1 3.43Å; I700-I744 HydrophobicContact CD1-CG1 4.08Å; L740-I744 PolarHBondContact O-N 2.98Å; F741-I744 WeakPolarHBondContact O-CG1 3.45Å; F741-I744 PolarHBondContact O-N 2.6Å; I744-N746 PolarHBondContact O-N 2.98Å; I744-N746 VanDerWaalsContact O-N 3.08Å; I744-T747 PolarHBondContact O-N 3.35Å; I744-T747 PolarHBondContact O-OG1 3.1Å; I744-V758 HydrophobicContact CG2-CG1 4.07Å; I744-I762 HydrophobicContact CG2-CD1 4.14Å
745	N	91	Very high	92.5	Very high	29 Å²	29	47.3 Å²	47.3	16%	0.155	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-0.8	178.3	-166	39.6	0	0	0	113.1	K651 F741 M743	K651-N745 VanDerWaalsContact CB-OD1 3.31Å; K651-N745 WeakPolarHBondContact CB-OD1 3.4Å; K651-N745 WeakPolarHBondContact CD-OD1 3.48Å; K651-N745 WeakPolarHBondContact CE-O 3.44Å; K651-N745 VanDerWaalsContact CG-OD1 3.26Å; K651-N745 WeakPolarHBondContact CG-OD1 3.34Å; K651-N745 PolarHBondContact NZ-O 3.04Å; F741-N745 HydrophobicContact CE1-CB 4.48Å; F741-N745 HydrophobicContact CZ-CB 4.34Å; F741-N745 WeakPolarHBondContact O-CB 3.17Å; F741-N745 PolarHBondContact O-N 3.32Å; M743-N745 PolarHBondContact O-N 2.7Å
746	N	89.4	Confident	92.6	Very high	67 Å²	67	48.6 Å²	48.6	36%	0.358	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136	23.2	176.9	-61.9	-65.8	0	0	0	113.1	K651 S742 M743 I744 G748 Y765	K651-N746 PolarHBondContact NZ-OD1 3.05Å; S742-N746 WeakPolarHBondContact O-CB 3.27Å; S742-N746 PolarHBondContact O-ND2 3.38Å; M743-N746 CarbonylContact O-C 3.59Å; M743-N746 PolarHBondContact O-N 2.89Å; I744-N746 PolarHBondContact O-N 2.98Å; I744-N746 VanDerWaalsContact O-N 3.08Å; N746-G748 PolarHBondContact O-N 3.33Å; N746-G748 VanDerWaalsContact O-N 3.1Å; N746-Y765 PolarHBondContact O-OH 2.87Å; N746-Y765 VanDerWaalsContact O-OH 3.06Å
747	T	87.4	Confident	92.6	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.018	25%	0.248	C	C	.	.			trans	-56.3	-24.9	172.9	48.4	0	0	0	0	113.5	M743 I744 Y757 V758 R761	M743-T747 PolarHBondContact O-N 3.04Å; I744-T747 PolarHBondContact O-N 3.35Å; I744-T747 PolarHBondContact O-OG1 3.1Å; T747-Y757 PolarHBondContact O-OH 3.21Å; T747-V758 HydrophobicContact CG2-CG2 4.47Å; T747-R761 HydrophobicContact CG2-CB 4.07Å; T747-R761 HydrophobicContact CG2-CG 4.38Å; T747-R761 PolarHBondContact O-NE 3.46Å; T747-R761 PolarHBondContact O-NH1 3.4Å; T747-R761 PolarHBondContact O-NH2 3.48Å
748	G	88.4	Confident	92.7	Very high	40 Å²	40	49.2 Å²	49.2	41%	0.412	25%	0.248	S	C	.	.			trans	67.7	-171.9	-162.9	0	0	0	0	0	111.5	N746	N746-G748 PolarHBondContact O-N 3.33Å; N746-G748 VanDerWaalsContact O-N 3.1Å
749	L	91.6	Very high	92.9	Very high	88 Å²	88	49.6 Å²	49.6	46%	0.461	25%	0.249	S	C	.	.			trans	-106.7	146.5	-178	-57.2	178.5	0	0	0	111	T646 L649 Y757	T646-L749 HydrophobicContact CG2-CD1 4Å; T646-L749 HydrophobicContact CG2-CD2 4.04Å; T646-L749 HydrophobicContact CG2-CG 4.45Å; L649-L749 HydrophobicContact CB-CD2 3.96Å; L749-Y757 VanDerWaalsContact C-OH 3.3Å; L749-Y757 PolarHBondContact O-OH 3.35Å
750	P	91.9	Very high	93	Very high	12 Å²	12	51 Å²	51	8%	0.078	26%	0.258	C	S	.	.			trans	-79.2	143.9	175.5	31.5	-34.4	0	0	0	112	L642 Q645 L649 K752 Y757	L642-P750 HydrophobicContact CD1-CB 4.49Å; L642-P750 HydrophobicContact CD1-CG 3.94Å; Q645-P750 HydrophobicContact CG-CG 4.28Å; L649-P750 HydrophobicContact CD1-CG 4.38Å; P750-K752 VanDerWaalsContact C-N 3.33Å; P750-K752 WeakPolarHBondContact CB-O 3.43Å; P750-Y757 HydrophobicContact CB-CD2 3.89Å; P750-Y757 HydrophobicContact CB-CE1 4.49Å; P750-Y757 HydrophobicContact CB-CE2 3.81Å; P750-Y757 HydrophobicContact CB-CG 4.26Å
751	H	90.1	Very high	93	Very high	194 Å²	194	54.8 Å²	54.8	90%	0.898	27%	0.272	S	S	*	.	S	Bend	trans	-81.8	-12.7	171	-60.2	-59	0	0	0	113.5
752	K	93.1	Very high	93.1	Very high	161 Å²	161	54.2 Å²	54.2	70%	0.7	27%	0.27	S	S	*	.	S	Bend	trans	-154.5	144.9	176.1	64.5	-179.9	-176.6	177.3	0	108.4	P750 F754	P750-K752 VanDerWaalsContact C-N 3.33Å; P750-K752 WeakPolarHBondContact CB-O 3.43Å; K752-F754 PolarHBondContact O-N 2.68Å
753	H	93.4	Very high	93.2	Very high	79 Å²	79	53.6 Å²	53.6	37%	0.366	27%	0.265	S	S	.	.			trans	-56.9	130.7	178.5	163.1	-88.5	0	0	0	111	K641 L642	K641-H753 HydrophobicContact CB-CB 4.15Å; K641-H753 PolarHBondContact O-CD2 2.86Å; L642-H753 HydrophobicContact CB-CB 4.27Å
754	F	93.6	Very high	93.1	Very high	79 Å²	79	56.8 Å²	56.8	35%	0.346	29%	0.286	S	S	.	.			trans	-150.9	112.1	175	171.4	-122.2	0	0	0	109.8	Q645 K752 F756 Y757 D760	Q645-F754 PolarHBondContact NE2-O 3.19Å; K752-F754 PolarHBondContact O-N 2.68Å; F754-F756 VanDerWaalsContact C-N 3.28Å; F754-F756 HydrophobicContact CE1-CB 3.94Å; F754-F756 HydrophobicContact CE2-CB 4.24Å; F754-F756 HydrophobicContact CE2-CD2 4.43Å; F754-F756 HydrophobicContact CZ-CB 3.69Å; F754-F756 PolarHBondContact O-N 3.01Å; F754-F756 VanDerWaalsContact O-N 3.16Å; F754-Y757 VanDerWaalsContact CD1-N 3.33Å; F754-Y757 WeakPolarHBondContact O-CB 3.45Å; F754-Y757 PolarHBondContact O-N 2.84Å; F754-D760 HydrophobicContact CE1-CB 4.31Å; F754-D760 VanDerWaalsContact CE1-OD2 3.31Å; F754-D760 WeakPolarHBondContact CE1-OD2 3.33Å
755	E	91.6	Very high	92.9	Very high	79 Å²	79	60.4 Å²	60.4	37%	0.369	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-44.6	-174	-178.3	-178.7	-171.2	0	0	113.2	P692 Y757	P692-E755 HydrophobicContact CG-CG 4.38Å; P692-E755 WeakPolarHBondContact CG-O 3.49Å; E755-Y757 VanDerWaalsContact C-N 3.29Å; E755-Y757 PolarHBondContact O-N 3.26Å
756	F	95.9	Very high	92.9	Very high	31 Å²	31	59.2 Å²	59.2	14%	0.136	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	12.5	-176	-60.3	-76.3	0	0	0	114.2	P692 L719 K722 F754 V758 F759 D760	P692-F756 HydrophobicContact CG-CD1 4.07Å; P692-F756 HydrophobicContact CG-CE1 4.2Å; L719-F756 HydrophobicContact CD1-CE1 3.58Å; L719-F756 HydrophobicContact CD1-CZ 4.04Å; K722-F756 HydrophobicContact CD-CD1 3.99Å; K722-F756 HydrophobicContact CD-CE1 3.37Å; K722-F756 HydrophobicContact CD-CE2 4.44Å; K722-F756 HydrophobicContact CD-CZ 3.67Å; F754-F756 VanDerWaalsContact C-N 3.28Å; F754-F756 HydrophobicContact CE1-CB 3.94Å; F754-F756 HydrophobicContact CE2-CB 4.24Å; F754-F756 HydrophobicContact CE2-CD2 4.43Å; F754-F756 HydrophobicContact CZ-CB 3.69Å; F754-F756 PolarHBondContact O-N 3.01Å; F754-F756 VanDerWaalsContact O-N 3.16Å; F756-V758 VanDerWaalsContact C-N 3.3Å; F756-V758 PolarHBondContact O-N 3.03Å; F756-F759 AromaticContact CD1-CD2 3.94Å; F756-F759 HydrophobicContact CD1-CD2 3.94Å; F756-F759 HydrophobicContact CD1-CE2 4.45Å; F756-F759 PolarHBondContact O-N 2.72Å; F756-D760 PolarHBondContact O-N 2.92Å
757	Y	96.1	Very high	92.9	Very high	32 Å²	32	58.3 Å²	58.3	13%	0.125	29%	0.293	C	S	.	.	H	α-helix	trans	-51.3	-45.9	-175.9	-176.6	-97.6	0	0	0	112.8	L649 T747 L749 P750 F754 E755 F759 D760 R761	L649-Y757 HydrophobicContact CD1-CD1 3.87Å; L649-Y757 HydrophobicContact CD1-CE1 3.99Å; T747-Y757 PolarHBondContact O-OH 3.21Å; L749-Y757 VanDerWaalsContact C-OH 3.3Å; L749-Y757 PolarHBondContact O-OH 3.35Å; P750-Y757 HydrophobicContact CB-CD2 3.89Å; P750-Y757 HydrophobicContact CB-CE1 4.49Å; P750-Y757 HydrophobicContact CB-CE2 3.81Å; P750-Y757 HydrophobicContact CB-CG 4.26Å; F754-Y757 VanDerWaalsContact CD1-N 3.33Å; F754-Y757 WeakPolarHBondContact O-CB 3.45Å; F754-Y757 PolarHBondContact O-N 2.84Å; E755-Y757 VanDerWaalsContact C-N 3.29Å; E755-Y757 PolarHBondContact O-N 3.26Å; Y757-F759 PolarHBondContact O-N 3.14Å; Y757-D760 PolarHBondContact O-N 3.05Å; Y757-R761 HydrophobicContact CD1-CG 3.97Å; Y757-R761 HydrophobicContact CE1-CG 3.65Å; Y757-R761 HydrophobicContact CE2-CG 4.31Å; Y757-R761 HydrophobicContact CG-CG 4.42Å; Y757-R761 WeakPolarHBondContact O-CB 3.42Å; Y757-R761 VanDerWaalsContact O-CG 3.29Å; Y757-R761 WeakPolarHBondContact O-CG 3.34Å; Y757-R761 PolarHBondContact O-N 3.03Å; Y757-R761 PolarHBondContact OH-NH1 3.05Å
758	V	96.1	Very high	92.3	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65	-39.5	179.6	174.8	0	0	0	0	111.7	L649 L693 I744 T747 F756 R761 I762	L649-V758 HydrophobicContact CD2-CG2 3.76Å; L693-V758 HydrophobicContact CB-CG2 4.1Å; L693-V758 HydrophobicContact CD1-CG1 4.38Å; L693-V758 HydrophobicContact CD1-CG2 4.06Å; I744-V758 HydrophobicContact CG2-CG1 4.07Å; T747-V758 HydrophobicContact CG2-CG2 4.47Å; F756-V758 VanDerWaalsContact C-N 3.3Å; F756-V758 PolarHBondContact O-N 3.03Å; V758-R761 PolarHBondContact O-N 2.72Å; V758-I762 HydrophobicContact CG1-CD1 3.89Å; V758-I762 WeakPolarHBondContact O-CB 3.07Å; V758-I762 VanDerWaalsContact O-CG1 3.26Å; V758-I762 WeakPolarHBondContact O-CG1 3.37Å; V758-I762 PolarHBondContact O-N 3.18Å
759	F	97.2	Very high	90.9	Very high	11 Å²	11	61.7 Å²	61.7	5%	0.048	31%	0.311	C	S	.	.	H	α-helix	trans	-69	-36.2	177.3	-74.2	4.3	0	0	0	112.2	P692 F695 I696 K722 I726 F756 Y757 S763	P692-F759 HydrophobicContact CB-CD1 3.75Å; P692-F759 HydrophobicContact CB-CD2 4.37Å; P692-F759 HydrophobicContact CB-CE1 3.56Å; P692-F759 HydrophobicContact CB-CE2 4.22Å; P692-F759 HydrophobicContact CB-CG 4.15Å; P692-F759 HydrophobicContact CB-CZ 3.81Å; P692-F759 HydrophobicContact CG-CE2 4.38Å; P692-F759 HydrophobicContact CG-CZ 4.34Å; F695-F759 HydrophobicContact CD1-CE1 4.12Å; F695-F759 AromaticContact CD1-CZ 3.9Å; F695-F759 HydrophobicContact CD1-CZ 3.9Å; I696-F759 HydrophobicContact CD1-CE1 4.13Å; I696-F759 HydrophobicContact CG1-CD1 4.45Å; I696-F759 HydrophobicContact CG1-CE1 3.91Å; K722-F759 HydrophobicContact CB-CD2 4.48Å; K722-F759 HydrophobicContact CB-CE2 4.23Å; I726-F759 HydrophobicContact CD1-CB 3.73Å; I726-F759 HydrophobicContact CD1-CD1 3.71Å; I726-F759 HydrophobicContact CD1-CD2 4.47Å; I726-F759 HydrophobicContact CD1-CE1 4.47Å; I726-F759 HydrophobicContact CD1-CG 3.72Å; I726-F759 HydrophobicContact CG2-CD1 4.29Å; I726-F759 HydrophobicContact CG2-CD2 4.36Å; I726-F759 HydrophobicContact CG2-CE1 4.06Å; I726-F759 HydrophobicContact CG2-CE2 4.15Å; I726-F759 HydrophobicContact CG2-CG 4.45Å; I726-F759 HydrophobicContact CG2-CZ 4Å; F756-F759 AromaticContact CD1-CD2 3.94Å; F756-F759 HydrophobicContact CD1-CD2 3.94Å; F756-F759 HydrophobicContact CD1-CE2 4.45Å; F756-F759 PolarHBondContact O-N 2.72Å; Y757-F759 PolarHBondContact O-N 3.14Å; F759-S763 WeakPolarHBondContact O-CB 3.27Å; F759-S763 PolarHBondContact O-N 3.27Å; F759-S763 PolarHBondContact O-OG 3.11Å
760	D	95.4	Very high	89.1	Confident	84 Å²	84	61.5 Å²	61.5	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-69.8	-42.4	174.6	-83.1	18.9	0	0	0	111.5	F754 F756 Y757 S763 T764	F754-D760 HydrophobicContact CE1-CB 4.31Å; F754-D760 VanDerWaalsContact CE1-OD2 3.31Å; F754-D760 WeakPolarHBondContact CE1-OD2 3.33Å; F756-D760 PolarHBondContact O-N 2.92Å; Y757-D760 PolarHBondContact O-N 3.05Å; D760-S763 CarbonylContact O-C 3.59Å; D760-S763 WeakPolarHBondContact O-CB 3.43Å; D760-S763 PolarHBondContact O-N 2.85Å; D760-T764 PolarHBondContact O-N 2.96Å; D760-T764 PolarHBondContact O-OG1 3.02Å
761	R	95.2	Very high	86.9	Confident	80 Å²	80	66.1 Å²	66.1	30%	0.302	33%	0.331	S	S	.	.	H	α-helix	trans	-62.7	-45.2	175.1	-68.7	-52.8	-61.3	-117.6	1.8	111.9	T747 Y757 V758 S763 T764 Y765	T747-R761 HydrophobicContact CG2-CB 4.07Å; T747-R761 HydrophobicContact CG2-CG 4.38Å; T747-R761 PolarHBondContact O-NE 3.46Å; T747-R761 PolarHBondContact O-NH1 3.4Å; T747-R761 PolarHBondContact O-NH2 3.48Å; Y757-R761 HydrophobicContact CD1-CG 3.97Å; Y757-R761 HydrophobicContact CE1-CG 3.65Å; Y757-R761 HydrophobicContact CE2-CG 4.31Å; Y757-R761 HydrophobicContact CG-CG 4.42Å; Y757-R761 WeakPolarHBondContact O-CB 3.42Å; Y757-R761 VanDerWaalsContact O-CG 3.29Å; Y757-R761 WeakPolarHBondContact O-CG 3.34Å; Y757-R761 PolarHBondContact O-N 3.03Å; Y757-R761 PolarHBondContact OH-NH1 3.05Å; V758-R761 PolarHBondContact O-N 2.72Å; R761-S763 VanDerWaalsContact C-N 3.35Å; R761-T764 WeakPolarHBondContact O-CB 3.43Å; R761-T764 PolarHBondContact O-N 3.43Å; R761-Y765 WeakPolarHBondContact O-CD2 3.37Å; R761-Y765 PolarHBondContact O-N 2.68Å; R761-Y765 VanDerWaalsContact O-N 3.1Å
762	I	95.7	Very high	84.8	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-59.7	-46.8	171.7	-68.6	166.4	0	0	0	109.9	I696 I726 M730 L740 M743 I744 V758 T764 Y765 L766	I696-I762 HydrophobicContact CD1-CD1 4.15Å; I696-I762 HydrophobicContact CG1-CD1 4.04Å; I696-I762 HydrophobicContact CG2-CD1 4.42Å; I726-I762 HydrophobicContact CD1-CB 4Å; I726-I762 HydrophobicContact CD1-CD1 4.36Å; I726-I762 HydrophobicContact CD1-CG2 3.82Å; I726-I762 HydrophobicContact CG1-CG2 4.24Å; M730-I762 HydrophobicContact CG-CG2 4.28Å; M730-I762 HydrophobicContact SD-CG2 3.9Å; L740-I762 HydrophobicContact CD1-CD1 3.99Å; M743-I762 HydrophobicContact CB-CG1 4.24Å; M743-I762 HydrophobicContact SD-CG2 4.11Å; I744-I762 HydrophobicContact CG2-CD1 4.14Å; V758-I762 HydrophobicContact CG1-CD1 3.89Å; V758-I762 WeakPolarHBondContact O-CB 3.07Å; V758-I762 VanDerWaalsContact O-CG1 3.26Å; V758-I762 WeakPolarHBondContact O-CG1 3.37Å; V758-I762 PolarHBondContact O-N 3.18Å; I762-T764 VanDerWaalsContact C-N 3.25Å; I762-T764 PolarHBondContact O-N 3.46Å; I762-Y765 WeakPolarHBondContact O-CB 3.48Å; I762-Y765 PolarHBondContact O-N 2.81Å; I762-Y765 VanDerWaalsContact O-N 3.09Å; I762-L766 HydrophobicContact CG2-CD1 3.89Å; I762-L766 HydrophobicContact CG2-CG 4.25Å; I762-L766 WeakPolarHBondContact O-CG 3.38Å; I762-L766 PolarHBondContact O-N 3.1Å
763	S	95	Very high	82.3	Confident	35 Å²	35	60.3 Å²	60.3	25%	0.245	31%	0.312	C	S	.	.	H	α-helix	trans	-61	-31	178.9	-70	0	0	0	0	114	R729 F759 D760 R761 S767	R729-S763 VanDerWaalsContact NH1-CB 3.32Å; R729-S763 PolarHBondContact NH1-O 3.45Å; F759-S763 WeakPolarHBondContact O-CB 3.27Å; F759-S763 PolarHBondContact O-N 3.27Å; F759-S763 PolarHBondContact O-OG 3.11Å; D760-S763 CarbonylContact O-C 3.59Å; D760-S763 WeakPolarHBondContact O-CB 3.43Å; D760-S763 PolarHBondContact O-N 2.85Å; R761-S763 VanDerWaalsContact C-N 3.35Å; S763-S767 PolarHBondContact O-N 3.26Å
764	T	93.2	Very high	79.7	Confident	88 Å²	88	60 Å²	60	54%	0.54	32%	0.319	S	S	.	.	H	α-helix	trans	-69.2	-46.8	172.8	-53.7	0	0	0	0	110.6	D760 R761 I762 L766 S767 S768	D760-T764 PolarHBondContact O-N 2.96Å; D760-T764 PolarHBondContact O-OG1 3.02Å; R761-T764 WeakPolarHBondContact O-CB 3.43Å; R761-T764 PolarHBondContact O-N 3.43Å; I762-T764 VanDerWaalsContact C-N 3.25Å; I762-T764 PolarHBondContact O-N 3.46Å; T764-L766 VanDerWaalsContact C-N 3.32Å; T764-L766 PolarHBondContact O-N 3.36Å; T764-S767 PolarHBondContact O-N 3.13Å; T764-S768 PolarHBondContact O-N 3.38Å; T764-S768 PolarHBondContact O-OG 2.99Å
765	Y	90.6	Very high	77.1	Confident	76 Å²	76	60.4 Å²	60.4	30%	0.298	33%	0.332	S	S	.	.	H	α-helix	trans	-56.7	-45.6	175.4	-78.7	-62.8	0	0	0	111.9	M743 N746 R761 I762 S767 S768 S769	M743-Y765 HydrophobicContact CB-CD2 3.98Å; M743-Y765 HydrophobicContact CB-CE2 4.34Å; M743-Y765 HydrophobicContact CG-CD2 3.83Å; M743-Y765 HydrophobicContact CG-CE2 4.48Å; M743-Y765 HydrophobicContact CG-CG 4.03Å; N746-Y765 PolarHBondContact O-OH 2.87Å; N746-Y765 VanDerWaalsContact O-OH 3.06Å; R761-Y765 WeakPolarHBondContact O-CD2 3.37Å; R761-Y765 PolarHBondContact O-N 2.68Å; R761-Y765 VanDerWaalsContact O-N 3.1Å; I762-Y765 WeakPolarHBondContact O-CB 3.48Å; I762-Y765 PolarHBondContact O-N 2.81Å; I762-Y765 VanDerWaalsContact O-N 3.09Å; Y765-S767 PolarHBondContact O-N 3.08Å; Y765-S768 WeakPolarHBondContact CA-OG 2.88Å; Y765-S768 PolarHBondContact O-N 2.64Å; Y765-S768 PolarHBondContact O-OG 2.98Å; Y765-S769 PolarHBondContact O-N 3.49Å
766	L	90.9	Very high	74.7	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-67.6	-17.2	-179.9	-61.9	174.7	0	0	0	114.9	R729 M730 K733 V735 M743 I762 T764 S769	R729-L766 HydrophobicContact CB-CD1 4.46Å; R729-L766 HydrophobicContact CG-CD1 4.01Å; M730-L766 HydrophobicContact CG-CD1 3.77Å; M730-L766 HydrophobicContact CG-CD2 4.47Å; K733-L766 HydrophobicContact CB-CD2 4.09Å; K733-L766 HydrophobicContact CG-CD2 4.39Å; V735-L766 HydrophobicContact CG2-CD2 3.53Å; M743-L766 HydrophobicContact CE-CD2 3.96Å; I762-L766 HydrophobicContact CG2-CD1 3.89Å; I762-L766 HydrophobicContact CG2-CG 4.25Å; I762-L766 WeakPolarHBondContact O-CG 3.38Å; I762-L766 PolarHBondContact O-N 3.1Å; T764-L766 VanDerWaalsContact C-N 3.32Å; T764-L766 PolarHBondContact O-N 3.36Å; L766-S769 PolarHBondContact O-OG 2.99Å; L766-S769 VanDerWaalsContact O-OG 3.13Å
767	S	88.4	Confident	72	Confident	47 Å²	47	67.1 Å²	67.1	33%	0.329	37%	0.371	S	S	.	.	H	α-helix	trans	-92.1	-38	169.4	-83	0	0	0	0	112.4	R729 S763 T764 Y765 S769 E770	R729-S767 PolarHBondContact NH2-OG 3.05Å; S763-S767 PolarHBondContact O-N 3.26Å; T764-S767 PolarHBondContact O-N 3.13Å; Y765-S767 PolarHBondContact O-N 3.08Å; S767-S769 PolarHBondContact O-N 3Å; S767-E770 WeakPolarHBondContact CA-OE2 3.04Å; S767-E770 VanDerWaalsContact O-CB 3.31Å; S767-E770 WeakPolarHBondContact O-CB 3.38Å; S767-E770 WeakPolarHBondContact O-CG 3.49Å; S767-E770 PolarHBondContact O-N 3.13Å; S767-E770 PolarHBondContact OG-OE2 3.31Å
768	S	74.3	Confident	69.1	Low	60 Å²	60	70.4 Å²	70.4	42%	0.42	40%	0.398	S	S	.	.	H	α-helix	trans	-61.3	-19.1	179.6	66.8	0	0	0	0	114.5	T764 Y765 E770	T764-S768 PolarHBondContact O-N 3.38Å; T764-S768 PolarHBondContact O-OG 2.99Å; Y765-S768 WeakPolarHBondContact CA-OG 2.88Å; Y765-S768 PolarHBondContact O-N 2.64Å; Y765-S768 PolarHBondContact O-OG 2.98Å; S768-E770 VanDerWaalsContact C-N 3.32Å
769	S	59.4	Low	66.3	Low	55 Å²	55	76.1 Å²	76.1	39%	0.385	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-21.3	170.7	40	0	0	0	0	114.3	Y765 L766 S767	Y765-S769 PolarHBondContact O-N 3.49Å; L766-S769 PolarHBondContact O-OG 2.99Å; L766-S769 VanDerWaalsContact O-OG 3.13Å; S767-S769 PolarHBondContact O-N 3Å
770	E	53.8	Low	63.4	Low	83 Å²	83	80.8 Å²	80.8	39%	0.388	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-32.8	-174	-53.9	-177.2	118.8	0	0	111.6	K733 S767 S768 V772 E773 S774	K733-E770 WeakPolarHBondContact CE-OE1 3.35Å; K733-E770 IonicContact NZ-OE1 3.75Å; K733-E770 PolarHBondContact NZ-OE1 3.25Å; S767-E770 WeakPolarHBondContact CA-OE2 3.04Å; S767-E770 VanDerWaalsContact O-CB 3.31Å; S767-E770 WeakPolarHBondContact O-CB 3.38Å; S767-E770 WeakPolarHBondContact O-CG 3.49Å; S767-E770 PolarHBondContact O-N 3.13Å; S767-E770 PolarHBondContact OG-OE2 3.31Å; S768-E770 VanDerWaalsContact C-N 3.32Å; E770-V772 VanDerWaalsContact C-N 3.29Å; E770-V772 PolarHBondContact O-N 3.48Å; E770-E773 PolarHBondContact O-N 3.24Å; E770-S774 PolarHBondContact O-N 3.34Å; E770-S774 PolarHBondContact O-OG 2.97Å
771	D	45.6	Very low	60.9	Low	109 Å²	109	83.2 Å²	83.2	58%	0.583	49%	0.487	S	S	*	.	H	α-helix	trans	-70.8	-20.2	179.8	-61.8	-46.9	0	0	0	113.9	S774 S775	D771-S774 PolarHBondContact O-OG 3.41Å; D771-S775 WeakPolarHBondContact O-CB 3.32Å; D771-S775 PolarHBondContact O-OG 3.32Å
772	V	46.7	Very low	58.1	Low	82 Å²	82	84.7 Å²	84.7	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-87.9	-15.1	-177.3	-176.4	0	0	0	0	112.6	E770 K776	E770-V772 VanDerWaalsContact C-N 3.29Å; E770-V772 PolarHBondContact O-N 3.48Å; V772-K776 WeakPolarHBondContact O-CD 3.24Å; V772-K776 WeakPolarHBondContact O-CE 3.26Å
773	E	40.1	Very low	55.3	Low	151 Å²	151	96.2 Å²	96.2	71%	0.706	55%	0.553	S	S	*	*	H	α-helix	trans	-100.7	-40.2	174.1	-63.9	-163.5	132.6	0	0	112	E770 S775 K776	E770-E773 PolarHBondContact O-N 3.24Å; E773-S775 PolarHBondContact O-N 3.21Å; E773-K776 PolarHBondContact O-N 2.86Å
774	S	38.5	Very low	52.5	Low	72 Å²	72	102.8 Å²	102.8	50%	0.503	61%	0.61	S	S	.	*	H	α-helix	trans	-59.7	-33.1	174.8	63.8	0	0	0	0	112.8	E770 D771 K776 S777	E770-S774 PolarHBondContact O-N 3.34Å; E770-S774 PolarHBondContact O-OG 2.97Å; D771-S774 PolarHBondContact O-OG 3.41Å; S774-K776 VanDerWaalsContact C-N 3.25Å; S774-K776 PolarHBondContact O-N 3.38Å; S774-S777 PolarHBondContact O-OG 3.34Å
775	S	39.7	Very low	50.5	Low	88 Å²	88	103.6 Å²	103.6	62%	0.615	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-5.8	174.8	52.8	0	0	0	0	114.9	D771 E773	D771-S775 WeakPolarHBondContact O-CB 3.32Å; D771-S775 PolarHBondContact O-OG 3.32Å; E773-S775 PolarHBondContact O-N 3.21Å
776	K	41.8	Very low	48.3	Very low	163 Å²	163	105 Å²	105	71%	0.709	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-16.7	176.5	-69.7	176.1	-176.1	166.4	0	113.9	V772 E773 S774 S778	V772-K776 WeakPolarHBondContact O-CD 3.24Å; V772-K776 WeakPolarHBondContact O-CE 3.26Å; E773-K776 PolarHBondContact O-N 2.86Å; S774-K776 VanDerWaalsContact C-N 3.25Å; S774-K776 PolarHBondContact O-N 3.38Å; K776-S778 PolarHBondContact O-N 3.06Å
777	S	39	Very low	46	Very low	89 Å²	89	110.6 Å²	110.6	62%	0.622	66%	0.663	S	S	*	*	S	Bend	trans	-90.6	60.9	178.2	56	0	0	0	0	112.6	S774	S774-S777 PolarHBondContact O-OG 3.34Å
778	S	33.8	Very low	43.5	Very low	100 Å²	100	114.4 Å²	114.4	70%	0.699	68%	0.683	S	S	*	*			trans	-154.2	88.5	172.9	-82.2	0	0	0	0	112.8	K776 S780	K776-S778 PolarHBondContact O-N 3.06Å; S778-S780 PolarHBondContact O-N 3.45Å
779	P	38.8	Very low	41.6	Very low	120 Å²	120	117.8 Å²	117.8	78%	0.779	70%	0.7	S	S	*	*			trans	-70.8	110	168.1	-8.5	25	0	0	0	109.2	V781	P779-V781 PolarHBondContact O-N 3.32Å
780	S	36.3	Very low	40.4	Very low	109 Å²	109	121.9 Å²	121.9	76%	0.762	72%	0.721	S	S	*	*			trans	-72	91.1	178.6	57.2	0	0	0	0	111.1	S778 S782	S778-S780 PolarHBondContact O-N 3.45Å; S780-S782 PolarHBondContact O-N 3.4Å
781	V	42.8	Very low	39.4	Very low	136 Å²	136	124.7 Å²	124.7	82%	0.824	74%	0.744	S	S	*	*			trans	-75.2	73.6	171.8	-173.7	0	0	0	0	109.7	P779 R783	P779-V781 PolarHBondContact O-N 3.32Å; V781-R783 PolarHBondContact O-N 2.68Å
782	S	35.3	Very low	38.9	Very low	110 Å²	110	125.9 Å²	125.9	77%	0.769	76%	0.757	S	S	*	*			trans	-73.5	118.7	169.8	54.8	0	0	0	0	109.8	S780	S780-S782 PolarHBondContact O-N 3.4Å
783	R	37.8	Very low	38.3	Very low	244 Å²	244	129.6 Å²	129.6	92%	0.921	78%	0.778	S	S	*	*			trans	-109	104.3	-173	-174.6	-172.6	-167.1	175.1	5.3	110.5	V781	V781-R783 PolarHBondContact O-N 2.68Å
784	A	35.5	Very low	38.1	Very low	173 Å²	173	127.6 Å²	127.6	100%	1.43	79%	0.785	S	S	*	*			trans	-150	0	167.5	0	0	0	0	0	108.6

Retrieved 784 of 784 residues in 226 ms (Link to these results)

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