X5M5W8_CAEEL Loading...

poly(ADP-ribose) glycohydrolase

AlphaFold DB , UniProt , Accession X5M5W8, Species CAEEL (Caenorhabditis elegans), Gene parg-1, Length 761 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.7	Very low	34.5	Very low	245 Å²	245	138 Å²	138	100%	1.207	72%	0.724	S	S	*	*				0	139.4	0	-64.6	177	-121.9	0	0	107.9
2	S	29.6	Very low	34.8	Very low	113 Å²	113	129.4 Å²	129.4	79%	0.79	68%	0.682	S	S	*	*			trans	-77.7	135.9	-179	37.6	0	0	0	0	111.1	K4	S2-K4 PolarHBondContact O-N 2.89Å
3	K	30.7	Very low	35.6	Very low	155 Å²	155	123.9 Å²	123.9	67%	0.674	66%	0.657	S	S	*	*			trans	-67.4	123.4	166.4	-66.8	-170.2	175.2	-167.7	0	108.1	F5	K3-F5 HydrophobicContact CB-CE2 4.4Å; K3-F5 HydrophobicContact CB-CZ 4.47Å; K3-F5 WeakPolarHBondContact O-CD2 3.23Å; K3-F5 PolarHBondContact O-N 3.18Å
4	K	35.1	Very low	36.1	Very low	179 Å²	179	123.4 Å²	123.4	78%	0.778	65%	0.648	S	S	*	*			trans	-75.4	110.9	170.4	-76.5	-174.6	175.7	-179.1	0	108.3	S2	S2-K4 PolarHBondContact O-N 2.89Å
5	F	37.8	Very low	36.3	Very low	177 Å²	177	120 Å²	120	78%	0.776	63%	0.631	S	S	*	*			trans	-78.3	139.7	165.3	-60.8	-84.3	0	0	0	108.5	K3	K3-F5 HydrophobicContact CB-CE2 4.4Å; K3-F5 HydrophobicContact CB-CZ 4.47Å; K3-F5 WeakPolarHBondContact O-CD2 3.23Å; K3-F5 PolarHBondContact O-N 3.18Å
6	I	40.9	Very low	36.9	Very low	96 Å²	96	116.5 Å²	116.5	49%	0.492	61%	0.61	S	S	.	*			trans	-117.6	112.9	171.2	-61.6	-179.5	0	0	0	106.3	L8 I357	I6-L8 PolarHBondContact O-N 2.99Å; I6-I357 HydrophobicContact CD1-CD1 4.19Å; I6-I357 HydrophobicContact CD1-CG2 4.07Å; I6-I357 HydrophobicContact CG1-CG2 4.23Å
7	E	38.2	Very low	37.4	Very low	189 Å²	189	115 Å²	115	88%	0.883	60%	0.598	S	S	*	*			trans	-70	122.7	159	-66.8	-177.4	144.8	0	0	106.9	G9	E7-G9 VanDerWaalsContact C-N 3.28Å; E7-G9 PolarHBondContact O-N 3.15Å
8	L	37	Very low	38	Very low	78 Å²	78	111.3 Å²	111.3	41%	0.408	58%	0.579	S	S	.	*			trans	-74.7	83.8	-177.9	-82.8	176.1	0	0	0	110.4	I6 Y359 P431	I6-L8 PolarHBondContact O-N 2.99Å; L8-Y359 HydrophobicContact CD1-CD1 4.31Å; L8-Y359 HydrophobicContact CD1-CE1 3.59Å; L8-Y359 HydrophobicContact CD2-CE1 4.3Å; L8-Y359 HydrophobicContact CG-CE1 3.95Å; L8-P431 HydrophobicContact CD1-CB 3.82Å; L8-P431 HydrophobicContact CD2-CB 4.4Å
9	G	31.5	Very low	38.7	Very low	60 Å²	60	106.1 Å²	106.1	62%	0.619	55%	0.551	S	S	*	*			trans	-127.8	94.5	169	0	0	0	0	0	111.1	E7	E7-G9 VanDerWaalsContact C-N 3.28Å; E7-G9 PolarHBondContact O-N 3.15Å
10	D	34.1	Very low	39.3	Very low	111 Å²	111	103.1 Å²	103.1	59%	0.594	53%	0.534	S	S	*	.	S	Bend	trans	-55.2	156.8	135.8	-83.3	-51.3	0	0	0	108.2	V12	D10-V12 PolarHBondContact O-N 3.27Å
11	P	33.5	Very low	39.6	Very low	115 Å²	115	103.4 Å²	103.4	75%	0.747	54%	0.537	S	S	*	.			trans	-66.7	86.7	175.9	28.8	-34.9	0	0	0	110.3	T13	P11-T13 PolarHBondContact O-N 2.63Å; P11-T13 VanDerWaalsContact O-N 3.16Å
12	V	38.6	Very low	40.3	Very low	35 Å²	35	96.8 Å²	96.8	21%	0.212	50%	0.499	C	S	.	.			trans	-41.3	121.4	161.9	-178.6	0	0	0	0	106.5	D10 E16 K17	D10-V12 PolarHBondContact O-N 3.27Å; V12-E16 HydrophobicContact CG1-CB 3.41Å; V12-E16 VanDerWaalsContact CG1-CB 3.41Å; V12-E16 HydrophobicContact CG1-CG 4.49Å; V12-K17 HydrophobicContact CB-CD 4.23Å; V12-K17 HydrophobicContact CB-CG 4.1Å; V12-K17 HydrophobicContact CG1-CB 4.3Å; V12-K17 HydrophobicContact CG1-CD 4.45Å; V12-K17 HydrophobicContact CG1-CG 3.82Å
13	T	44.8	Very low	40.9	Very low	58 Å²	58	92.4 Å²	92.4	36%	0.356	47%	0.467	S	S	.	.			trans	-57.8	150.3	-175.4	59.9	0	0	0	0	109	P11 D15 E16 K17	P11-T13 PolarHBondContact O-N 2.63Å; P11-T13 VanDerWaalsContact O-N 3.16Å; T13-D15 PolarHBondContact O-N 3.48Å; T13-D15 VanDerWaalsContact O-N 3.08Å; T13-E16 WeakPolarHBondContact CB-OE2 3.31Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.14Å; T13-E16 PolarHBondContact N-OE2 3.49Å; T13-E16 PolarHBondContact O-N 3.44Å; T13-E16 WeakPolarHBondContact OG1-CB 3.42Å; T13-E16 VanDerWaalsContact OG1-CG 3.24Å; T13-E16 WeakPolarHBondContact OG1-CG 3.45Å; T13-E16 PolarHBondContact OG1-N 2.68Å; T13-E16 PolarHBondContact OG1-OE2 3.3Å; T13-K17 PolarHBondContact O-N 2.91Å
14	Q	42.5	Very low	41.1	Very low	116 Å²	116	88.2 Å²	88.2	54%	0.542	47%	0.468	S	S	.	.	H	α-helix	trans	-58.7	-29.6	-177.3	-167.4	61.5	49.2	0	0	111.2	K17 D18	Q14-K17 PolarHBondContact O-N 3.46Å; Q14-D18 PolarHBondContact NE2-OD1 2.72Å; Q14-D18 VanDerWaalsContact O-CB 3.27Å; Q14-D18 WeakPolarHBondContact O-CB 3.45Å; Q14-D18 PolarHBondContact O-N 2.85Å
15	D	40.3	Very low	41.2	Very low	73 Å²	73	84.5 Å²	84.5	39%	0.39	46%	0.461	S	S	.	.	H	α-helix	trans	-72.2	-39.2	175.4	-56.2	-56.9	0	0	0	113.5	T13 Y19 L613 K615	T13-D15 PolarHBondContact O-N 3.48Å; T13-D15 VanDerWaalsContact O-N 3.08Å; D15-Y19 WeakPolarHBondContact O-CB 3.38Å; D15-Y19 PolarHBondContact O-N 3.44Å; D15-L613 HydrophobicContact CB-CD2 4.35Å; D15-K615 WeakPolarHBondContact OD1-CE 3.35Å; D15-K615 IonicContact OD1-NZ 2.7Å; D15-K615 PolarHBondContact OD1-NZ 2.98Å
16	E	45.9	Very low	40.7	Very low	64 Å²	64	77.7 Å²	77.7	30%	0.299	44%	0.44	S	S	.	.	H	α-helix	trans	-64.8	-39	169.6	-74.4	165.4	119.3	0	0	111.7	V12 T13 Y19 E20	V12-E16 HydrophobicContact CG1-CB 3.41Å; V12-E16 VanDerWaalsContact CG1-CB 3.41Å; V12-E16 HydrophobicContact CG1-CG 4.49Å; T13-E16 WeakPolarHBondContact CB-OE2 3.31Å; T13-E16 WeakPolarHBondContact CG2-OE2 3.14Å; T13-E16 PolarHBondContact N-OE2 3.49Å; T13-E16 PolarHBondContact O-N 3.44Å; T13-E16 WeakPolarHBondContact OG1-CB 3.42Å; T13-E16 VanDerWaalsContact OG1-CG 3.24Å; T13-E16 WeakPolarHBondContact OG1-CG 3.45Å; T13-E16 PolarHBondContact OG1-N 2.68Å; T13-E16 PolarHBondContact OG1-OE2 3.3Å; E16-Y19 PolarHBondContact O-N 3.26Å; E16-E20 WeakPolarHBondContact O-CG 3.21Å; E16-E20 PolarHBondContact O-N 3.45Å
17	K	44.1	Very low	40.1	Very low	91 Å²	91	81.9 Å²	81.9	40%	0.396	46%	0.455	S	S	.	.	H	α-helix	trans	-66.6	-49.5	177.6	-107.8	165.8	-177.5	161.7	0	112.1	V12 T13 Q14 Y19 E20 D21	V12-K17 HydrophobicContact CB-CD 4.23Å; V12-K17 HydrophobicContact CB-CG 4.1Å; V12-K17 HydrophobicContact CG1-CB 4.3Å; V12-K17 HydrophobicContact CG1-CD 4.45Å; V12-K17 HydrophobicContact CG1-CG 3.82Å; T13-K17 PolarHBondContact O-N 2.91Å; Q14-K17 PolarHBondContact O-N 3.46Å; K17-Y19 PolarHBondContact O-N 3.06Å; K17-E20 PolarHBondContact O-N 3.47Å; K17-D21 WeakPolarHBondContact O-CB 3.37Å; K17-D21 PolarHBondContact O-N 2.93Å
18	D	48.4	Very low	39.5	Very low	48 Å²	48	77.2 Å²	77.2	26%	0.257	45%	0.449	S	S	.	.	H	α-helix	trans	-61.6	-33.1	177.1	-66.5	-12.1	0	0	0	110.8	Q14 Y22 K615	Q14-D18 PolarHBondContact NE2-OD1 2.72Å; Q14-D18 VanDerWaalsContact O-CB 3.27Å; Q14-D18 WeakPolarHBondContact O-CB 3.45Å; Q14-D18 PolarHBondContact O-N 2.85Å; D18-Y22 WeakPolarHBondContact O-CB 3.35Å; D18-Y22 PolarHBondContact O-N 3.46Å; D18-K615 WeakPolarHBondContact OD2-CD 3.46Å; D18-K615 VanDerWaalsContact OD2-CE 3.24Å; D18-K615 WeakPolarHBondContact OD2-CE 3.3Å; D18-K615 IonicContact OD2-NZ 2.79Å; D18-K615 PolarHBondContact OD2-NZ 3.38Å
19	Y	51.6	Low	39.2	Very low	13 Å²	13	81.3 Å²	81.3	5%	0.051	47%	0.465	C	S	.	.	H	α-helix	trans	-68.7	-47	172.7	179.9	-100.9	0	0	0	112.6	D15 E16 K17 Y22 V23 V532 E535 A663 F664	D15-Y19 WeakPolarHBondContact O-CB 3.38Å; D15-Y19 PolarHBondContact O-N 3.44Å; E16-Y19 PolarHBondContact O-N 3.26Å; K17-Y19 PolarHBondContact O-N 3.06Å; Y19-Y22 PolarHBondContact O-N 2.75Å; Y19-V23 HydrophobicContact CE1-CG2 4.36Å; Y19-V23 HydrophobicContact CE2-CG2 4.4Å; Y19-V23 WeakPolarHBondContact O-CB 3.23Å; Y19-V23 VanDerWaalsContact O-CG2 3.29Å; Y19-V23 WeakPolarHBondContact O-CG2 3.25Å; Y19-V23 PolarHBondContact O-N 3.03Å; Y19-V532 WeakPolarHBondContact OH-CG2 3.42Å; Y19-E535 WeakPolarHBondContact CE1-OE1 3.45Å; Y19-E535 PolarHBondContact OH-OE1 3.37Å; Y19-E535 PolarHBondContact OH-OE2 3.21Å; Y19-A663 HydrophobicContact CD2-CB 3.85Å; Y19-A663 HydrophobicContact CE2-CB 3.84Å; Y19-F664 HydrophobicContact CD2-CD2 4.5Å; Y19-F664 AromaticContact CD2-CE2 3.86Å; Y19-F664 HydrophobicContact CD2-CE2 3.86Å; Y19-F664 HydrophobicContact CE2-CD2 4.48Å; Y19-F664 AromaticContact CE2-CE2 3.8Å; Y19-F664 HydrophobicContact CE2-CE2 3.8Å
20	E	51.3	Low	38.9	Very low	46 Å²	46	87.6 Å²	87.6	22%	0.215	48%	0.479	C	S	.	.	H	α-helix	trans	-65	-42.4	177.5	-74.8	-174.9	163.3	0	0	112.4	E16 K17 V23 G24 N528	E16-E20 WeakPolarHBondContact O-CG 3.21Å; E16-E20 PolarHBondContact O-N 3.45Å; K17-E20 PolarHBondContact O-N 3.47Å; E20-V23 PolarHBondContact O-N 3.04Å; E20-G24 PolarHBondContact O-N 2.96Å; E20-N528 WeakPolarHBondContact OE1-CB 3.39Å; E20-N528 VanDerWaalsContact OE1-CG 3.32Å; E20-N528 PolarHBondContact OE1-ND2 3.44Å
21	D	45.9	Very low	38.6	Very low	110 Å²	110	88.2 Å²	88.2	59%	0.588	49%	0.486	S	S	*	.	H	α-helix	trans	-63.5	-43.3	174.1	-80.9	-25.3	0	0	0	111.4	K17 G24 V25	K17-D21 WeakPolarHBondContact O-CB 3.37Å; K17-D21 PolarHBondContact O-N 2.93Å; D21-G24 PolarHBondContact O-N 3.42Å; D21-V25 VanDerWaalsContact O-CG2 3.3Å; D21-V25 WeakPolarHBondContact O-CG2 3.33Å; D21-V25 PolarHBondContact O-N 3.38Å
22	Y	43.8	Very low	38.3	Very low	106 Å²	106	88.3 Å²	88.3	42%	0.416	49%	0.487	S	S	.	.	H	α-helix	trans	-64.8	-42.5	177.3	-167	-75	0	0	0	112.1	D18 Y19 G24 V25 G26 G662 A663 N665	D18-Y22 WeakPolarHBondContact O-CB 3.35Å; D18-Y22 PolarHBondContact O-N 3.46Å; Y19-Y22 PolarHBondContact O-N 2.75Å; Y22-G24 VanDerWaalsContact C-N 3.26Å; Y22-G24 PolarHBondContact O-N 3.22Å; Y22-V25 PolarHBondContact O-N 2.89Å; Y22-G26 PolarHBondContact O-N 2.58Å; Y22-G662 PolarHBondContact OH-O 3.03Å; Y22-A663 HydrophobicContact CD1-CB 3.84Å; Y22-A663 HydrophobicContact CE1-CB 4.24Å; Y22-A663 HydrophobicContact CG-CB 4.47Å; Y22-N665 WeakPolarHBondContact CE2-OD1 3.49Å; Y22-N665 PolarHBondContact OH-OD1 3.4Å
23	V	43.6	Very low	37.7	Very low	20 Å²	20	93 Å²	93	12%	0.121	52%	0.515	C	S	.	.	H	α-helix	trans	-63.6	-34.3	174.6	170.6	0	0	0	0	111	Y19 E20 V25 V532	Y19-V23 HydrophobicContact CE1-CG2 4.36Å; Y19-V23 HydrophobicContact CE2-CG2 4.4Å; Y19-V23 WeakPolarHBondContact O-CB 3.23Å; Y19-V23 VanDerWaalsContact O-CG2 3.29Å; Y19-V23 WeakPolarHBondContact O-CG2 3.25Å; Y19-V23 PolarHBondContact O-N 3.03Å; E20-V23 PolarHBondContact O-N 3.04Å; V23-V25 VanDerWaalsContact C-N 3.34Å; V23-V25 PolarHBondContact O-N 2.99Å; V23-V532 HydrophobicContact CG2-CG1 4.38Å
24	G	35.1	Very low	36.7	Very low	67 Å²	67	99.1 Å²	99.1	69%	0.691	54%	0.542	S	S	*	.	H	α-helix	trans	-68	-25.5	173.5	0	0	0	0	0	115.1	E20 D21 Y22	E20-G24 PolarHBondContact O-N 2.96Å; D21-G24 PolarHBondContact O-N 3.42Å; Y22-G24 VanDerWaalsContact C-N 3.26Å; Y22-G24 PolarHBondContact O-N 3.22Å
25	V	35.9	Very low	36	Very low	102 Å²	102	103.2 Å²	103.2	62%	0.618	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	10.3	-175.1	177	0	0	0	0	112.7	D21 Y22 V23 F27	D21-V25 VanDerWaalsContact O-CG2 3.3Å; D21-V25 WeakPolarHBondContact O-CG2 3.33Å; D21-V25 PolarHBondContact O-N 3.38Å; Y22-V25 PolarHBondContact O-N 2.89Å; V23-V25 VanDerWaalsContact C-N 3.34Å; V23-V25 PolarHBondContact O-N 2.99Å; V25-F27 PolarHBondContact O-N 3.02Å
26	G	28.5	Very low	35.3	Very low	33 Å²	33	111.4 Å²	111.4	34%	0.34	58%	0.584	S	S	.	*			trans	-54.5	100.3	-175	0	0	0	0	0	115.7	Y22	Y22-G26 PolarHBondContact O-N 2.58Å
27	F	26.6	Very low	34.4	Very low	185 Å²	185	119.8 Å²	119.8	81%	0.811	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-58.7	145.1	175.1	-93	-102.6	0	0	0	112.6	V25 H29	V25-F27 PolarHBondContact O-N 3.02Å; F27-H29 PolarHBondContact O-N 3.24Å
28	A	26.1	Very low	33.5	Very low	91 Å²	91	125 Å²	125	75%	0.752	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-58.1	122.4	-175.9	0	0	0	0	0	112.7	Q30	A28-Q30 PolarHBondContact O-N 3.15Å
29	H	31.5	Very low	32.4	Very low	163 Å²	163	130.9 Å²	130.9	76%	0.755	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-65	129.3	162.1	-71.1	32.3	0	0	0	108.2	F27 V31	F27-H29 PolarHBondContact O-N 3.24Å; H29-V31 PolarHBondContact O-N 2.88Å; H29-V31 VanDerWaalsContact O-N 3.12Å
30	Q	25.4	Very low	31.2	Very low	193 Å²	193	135.7 Å²	135.7	90%	0.902	70%	0.697	S	S	*	*			trans	-69.4	112.9	179.8	-73.2	-170.1	-8.1	0	0	110.2	A28	A28-Q30 PolarHBondContact O-N 3.15Å
31	V	27.6	Very low	30	Very low	123 Å²	123	141.4 Å²	141.4	75%	0.745	72%	0.723	S	S	*	*			trans	-59.4	128.2	175.8	179.7	0	0	0	0	109.5	H29 T33	H29-V31 PolarHBondContact O-N 2.88Å; H29-V31 VanDerWaalsContact O-N 3.12Å; V31-T33 PolarHBondContact O-N 3.41Å
32	P	26.4	Very low	29.2	Very low	117 Å²	117	144.9 Å²	144.9	76%	0.76	74%	0.736	S	S	*	*			trans	-58.9	112.6	173.1	-24.8	34.8	0	0	0	110.7	M34	P32-M34 PolarHBondContact O-N 2.95Å; P32-M34 VanDerWaalsContact O-N 3.16Å
33	T	25.4	Very low	28.3	Very low	133 Å²	133	142.8 Å²	142.8	82%	0.816	75%	0.747	S	S	*	*			trans	-67.7	115.5	179	39.1	0	0	0	0	109.9	V31 K35	V31-T33 PolarHBondContact O-N 3.41Å; T33-K35 PolarHBondContact O-N 2.81Å
34	M	25.5	Very low	27.5	Very low	188 Å²	188	149.3 Å²	149.3	93%	0.926	78%	0.78	S	S	*	*			trans	-59.6	111.6	176.8	-79.1	-165.5	176.2	0	0	110.3	P32 R36	P32-M34 PolarHBondContact O-N 2.95Å; P32-M34 VanDerWaalsContact O-N 3.16Å; M34-R36 PolarHBondContact O-N 3.08Å
35	K	26.3	Very low	27.1	Very low	201 Å²	201	151.2 Å²	151.2	87%	0.874	78%	0.779	S	S	*	*			trans	-60.8	106.3	174.1	-69.2	178	179.3	173.9	0	109.3	T33 R37	T33-K35 PolarHBondContact O-N 2.81Å; K35-R37 PolarHBondContact O-N 2.7Å
36	R	25.9	Very low	26.7	Very low	246 Å²	246	152.1 Å²	152.1	93%	0.928	79%	0.785	S	S	*	*			trans	-52.5	113.9	165.5	-87.8	-175.6	168.7	179.4	-3.5	108.3	M34 K38	M34-R36 PolarHBondContact O-N 3.08Å; R36-K38 PolarHBondContact O-N 3.28Å
37	R	26.5	Very low	26.7	Very low	239 Å²	239	158.5 Å²	158.5	90%	0.902	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-62.4	124	171.9	-80	-178.5	168.2	173.1	-4.4	108.6	K35 L39	K35-R37 PolarHBondContact O-N 2.7Å; R37-L39 PolarHBondContact O-N 3.17Å
38	K	25.2	Very low	26.8	Very low	200 Å²	200	154.8 Å²	154.8	87%	0.87	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-65.9	127.8	159	-71.9	-173.7	174.6	-173.8	0	107.6	R36	R36-K38 PolarHBondContact O-N 3.28Å
39	L	26.1	Very low	27	Very low	173 Å²	173	158.4 Å²	158.4	91%	0.906	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-99.9	132.3	159.1	-86	159.8	0	0	0	107	R37	R37-L39 PolarHBondContact O-N 3.17Å
40	T	26.4	Very low	26.9	Very low	113 Å²	113	158 Å²	158	69%	0.693	80%	0.8	S	S	*	*			trans	-104.9	122.4	179	43.7	0	0	0	0	109.9
41	E	26.3	Very low	27.1	Very low	166 Å²	166	156.2 Å²	156.2	78%	0.776	80%	0.797	S	S	*	*			trans	56.8	126.9	145.3	-57.2	174.1	175.3	0	0	119.3
42	H	28.3	Very low	27.9	Very low	184 Å²	184	156.3 Å²	156.3	85%	0.852	80%	0.8	S	S	*	*				-169.7	138.9	102	-103.4	62.6	0	0	0	112.8
43	G	25.6	Very low	27.9	Very low	62 Å²	62	159.1 Å²	159.1	64%	0.639	80%	0.803	S	S	*	*			trans	91	104.5	149.3	0	0	0	0	0	119.9
44	N	25.8	Very low	28	Very low	156 Å²	156	159.4 Å²	159.4	83%	0.834	80%	0.795	S	S	*	*			trans	53.8	143.1	130.3	-65	2.6	0	0	0	120.8
45	T	27.8	Very low	28.7	Very low	107 Å²	107	155.9 Å²	155.9	66%	0.656	79%	0.786	S	S	*	*			cis	-165.8	150.9	4.7	7.3	0	0	0	0	109.7
46	T	28	Very low	28.8	Very low	122 Å²	122	153.7 Å²	153.7	75%	0.748	78%	0.777	S	S	*	*			trans	59.1	147.8	155.6	51.9	0	0	0	0	118.5
47	E	28.9	Very low	28.9	Very low	166 Å²	166	147.8 Å²	147.8	78%	0.776	77%	0.773	S	S	*	*			cis	-161.9	137.3	3.3	-132.7	175	-175.5	0	0	110.6
48	S	27.5	Very low	29	Very low	108 Å²	108	146.6 Å²	146.6	76%	0.755	77%	0.769	S	S	*	*			trans	62	156.3	156	80.5	0	0	0	0	118.9
49	K	30.4	Very low	29	Very low	167 Å²	167	142.9 Å²	142.9	73%	0.726	76%	0.758	S	S	*	*			cis	-163.6	162.9	-7	-129.1	175.3	165.6	-139.1	0	110.6
50	E	29.9	Very low	29	Very low	155 Å²	155	140.5 Å²	140.5	72%	0.724	75%	0.751	S	S	*	*			trans	69.3	108.7	152	-76.3	155.7	-150.7	0	0	121.6
51	D	28.3	Very low	28.9	Very low	154 Å²	154	144 Å²	144	82%	0.824	76%	0.757	S	S	*	*			trans	-60.6	169.3	152.7	-79.4	-55.6	0	0	0	112.7
52	P	44.3	Very low	29	Very low	125 Å²	125	141.8 Å²	141.8	81%	0.812	75%	0.754	S	S	*	*			cis	-149.7	-163.7	38.7	44.4	-21.7	0	0	0	118.7
53	E	27.4	Very low	29	Very low	177 Å²	177	138.3 Å²	138.3	83%	0.827	75%	0.75	S	S	*	*			trans	-83.7	157.1	-167.4	-50.1	171.6	108.1	0	0	117.1
54	E	27.3	Very low	29.2	Very low	139 Å²	139	140.3 Å²	140.3	65%	0.65	76%	0.755	S	S	*	*			trans	62.4	173.5	149.5	-84.7	-134	-171.2	0	0	118.7	K56	E54-K56 VanDerWaalsContact OE1-CE 3.31Å; E54-K56 WeakPolarHBondContact OE1-CE 3.35Å; E54-K56 IonicContact OE1-NZ 3.79Å; E54-K56 PolarHBondContact OE1-NZ 2.92Å; E54-K56 WeakPolarHBondContact OE2-CE 3.3Å; E54-K56 IonicContact OE2-NZ 2.65Å; E54-K56 PolarHBondContact OE2-NZ 3.35Å
55	P	40.5	Very low	29.3	Very low	114 Å²	114	141.6 Å²	141.6	74%	0.74	76%	0.756	S	S	*	*			cis	-127.2	-176.1	2.9	32.1	-10.4	0	0	0	116.5
56	K	29.4	Very low	29.4	Very low	154 Å²	154	141 Å²	141	67%	0.67	76%	0.756	S	S	*	*			trans	-74.1	155	176.9	-39.8	93.3	-178.5	162	0	113.9	E54	E54-K56 VanDerWaalsContact OE1-CE 3.31Å; E54-K56 WeakPolarHBondContact OE1-CE 3.35Å; E54-K56 IonicContact OE1-NZ 3.79Å; E54-K56 PolarHBondContact OE1-NZ 2.92Å; E54-K56 WeakPolarHBondContact OE2-CE 3.3Å; E54-K56 IonicContact OE2-NZ 2.65Å; E54-K56 PolarHBondContact OE2-NZ 3.35Å
57	S	26.3	Very low	29.5	Very low	122 Å²	122	140.1 Å²	140.1	85%	0.853	76%	0.755	S	S	*	*			trans	155.4	164.7	141.9	47.1	0	0	0	0	111.4
58	R	28.6	Very low	29.4	Very low	215 Å²	215	138.9 Å²	138.9	81%	0.811	75%	0.753	S	S	*	*			cis	-170.5	164.9	-40.2	-152.6	-177.8	172.5	154.8	2.8	106.9
59	D	26.7	Very low	29.6	Very low	122 Å²	122	142.3 Å²	142.3	65%	0.652	76%	0.758	S	S	*	*			trans	69.4	122	153.5	-58.4	-34.9	0	0	0	123.6
60	V	26.4	Very low	29.6	Very low	123 Å²	123	139.3 Å²	139.3	75%	0.745	76%	0.757	S	S	*	*				75.2	116.9	120.6	175.7	0	0	0	0	123.2
61	F	24.2	Very low	29.6	Very low	186 Å²	186	139.6 Å²	139.6	82%	0.816	76%	0.759	S	S	*	*			trans	68.2	116.9	146.8	-92	-119.2	0	0	0	124.8
62	V	27.8	Very low	29.7	Very low	119 Å²	119	139.3 Å²	139.3	72%	0.721	75%	0.753	S	S	*	*				44.3	112	126.2	-172.6	0	0	0	0	121.1
63	S	27	Very low	29	Very low	111 Å²	111	140.6 Å²	140.6	78%	0.776	75%	0.752	S	S	*	*			trans	173	164.6	131.9	34.5	0	0	0	0	109.8
64	S	30.1	Very low	29	Very low	104 Å²	104	137.8 Å²	137.8	73%	0.727	75%	0.752	S	S	*	*			cis	167.8	135	-46.3	53.2	0	0	0	0	108.2
65	Q	27.9	Very low	29	Very low	184 Å²	184	135.3 Å²	135.3	86%	0.86	76%	0.756	S	S	*	*			trans	-177.4	114.6	159	-102.7	163.5	8	0	0	107.4
66	S	30	Very low	28.5	Very low	95 Å²	95	138.8 Å²	138.8	66%	0.664	76%	0.762	S	S	*	*				67.6	131.8	84.4	72.8	0	0	0	0	112.6
67	S	29.7	Very low	28.5	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	77%	0.77	S	S	*	*			cis	-160.5	171.7	40.9	33.3	0	0	0	0	111.5
68	D	27.4	Very low	29.7	Very low	139 Å²	139	137.3 Å²	137.3	74%	0.743	76%	0.757	S	S	*	*			cis	-157.2	160.4	-19.4	-89.2	-21	0	0	0	109.7
69	E	32.3	Very low	29.9	Very low	181 Å²	181	135.5 Å²	135.5	85%	0.846	76%	0.758	S	S	*	*			trans	-5.1	157	149.1	-70	176.8	-173.3	0	0	120.9
70	S	30.4	Very low	30.3	Very low	103 Å²	103	136.7 Å²	136.7	72%	0.72	76%	0.762	S	S	*	*			cis	-166.7	-167.6	-2.7	50.8	0	0	0	0	108.2
71	Q	29.6	Very low	30.4	Very low	162 Å²	162	134.7 Å²	134.7	76%	0.757	76%	0.758	S	S	*	*			cis	-146.3	-116.8	8.1	-159.2	-172.2	-25.3	0	0	112.9
72	E	30.1	Very low	30.8	Very low	148 Å²	148	134.7 Å²	134.7	69%	0.692	76%	0.758	S	S	*	*			trans	-142.4	161.1	-154.1	-70.7	162.2	131.8	0	0	116.1
73	D	29.1	Very low	30.9	Very low	151 Å²	151	137.4 Å²	137.4	81%	0.807	76%	0.763	S	S	*	*			trans	78.9	150.6	138.7	-92.5	3.2	0	0	0	127.3
74	S	28.1	Very low	30.9	Very low	118 Å²	118	137.3 Å²	137.3	83%	0.825	76%	0.757	S	S	*	*			trans	73.9	156.9	164.5	76	0	0	0	0	119.6
75	A	28	Very low	30.8	Very low	87 Å²	87	136.5 Å²	136.5	72%	0.719	75%	0.752	S	S	*	*			cis	-168.4	167.2	-33.2	0	0	0	0	0	110.6
76	E	29	Very low	30.9	Very low	187 Å²	187	135 Å²	135	87%	0.874	75%	0.745	S	S	*	*			trans	56.4	110.3	157.4	-66.4	178.7	161.8	0	0	122.8
77	N	30.2	Very low	30.8	Very low	157 Å²	157	136.9 Å²	136.9	84%	0.84	75%	0.747	S	S	*	*				27.5	169.1	113.1	-112.7	0.8	0	0	0	122.4
78	P	51.5	Low	30.7	Very low	89 Å²	89	136.9 Å²	136.9	58%	0.578	75%	0.746	S	S	*	*			cis	-140.8	-173.9	-14.2	41.9	-23.4	0	0	0	116.3
79	E	32.8	Very low	30.8	Very low	177 Å²	177	138 Å²	138	83%	0.827	75%	0.747	S	S	*	*			trans	63.7	160.7	154.2	-74.5	-176.8	144.3	0	0	120
80	I	34.1	Very low	30.6	Very low	147 Å²	147	136.3 Å²	136.3	75%	0.754	74%	0.744	S	S	*	*			cis	-132.8	129.6	16.5	-63.5	172.4	0	0	0	108
81	A	29.2	Very low	30.4	Very low	80 Å²	80	139.2 Å²	139.2	66%	0.661	75%	0.75	S	S	*	*				52.8	151.3	90.7	0	0	0	0	0	116.5
82	K	32.3	Very low	30.3	Very low	187 Å²	187	137.1 Å²	137.1	81%	0.813	75%	0.749	S	S	*	*			cis	-155.2	170.1	-1.6	-115.6	166.7	-176.2	173	0	107
83	E	29.9	Very low	30.2	Very low	176 Å²	176	138.2 Å²	138.2	82%	0.822	75%	0.754	S	S	*	*				-156.4	137.4	56.8	-80.8	-172.1	128.6	0	0	111.4
84	V	27.9	Very low	30.1	Very low	108 Å²	108	136.9 Å²	136.9	66%	0.655	75%	0.751	S	S	*	*				65.4	105.6	102.6	-173.1	0	0	0	0	113.1
85	S	26.6	Very low	30.1	Very low	88 Å²	88	137.9 Å²	137.9	62%	0.615	75%	0.747	S	S	*	*				62.8	147.8	80.2	114.2	0	0	0	0	113.7
86	E	30.4	Very low	30.1	Very low	152 Å²	152	143.1 Å²	143.1	71%	0.71	75%	0.753	S	S	*	*			cis	-152.4	-172.9	7.9	-126.5	153.9	-85.9	0	0	107.4
87	N	27.7	Very low	30.2	Very low	134 Å²	134	140.2 Å²	140.2	72%	0.717	74%	0.743	S	S	*	*			cis	-152.6	-168.9	10	-140.9	-44.1	0	0	0	111.1
88	C	28.8	Very low	30.2	Very low	103 Å²	103	137.9 Å²	137.9	70%	0.696	74%	0.739	S	S	*	*			trans	-118.4	166.1	170	-155	0	0	0	0	112.3
89	E	29.8	Very low	29.3	Very low	162 Å²	162	139.7 Å²	139.7	76%	0.757	74%	0.744	S	S	*	*			trans	54.2	115.9	169.6	-54.9	-175	176	0	0	119
90	N	27.3	Very low	29.2	Very low	146 Å²	146	137.8 Å²	137.8	78%	0.781	74%	0.737	S	S	*	*				174.1	172.7	104.5	-101	-74.5	0	0	0	115.5
91	L	25.7	Very low	29.2	Very low	164 Å²	164	138.3 Å²	138.3	86%	0.859	74%	0.737	S	S	*	*			trans	87.6	123.2	162.2	-72.2	166.4	0	0	0	120.5
92	T	27.5	Very low	29.5	Very low	119 Å²	119	139 Å²	139	73%	0.73	74%	0.737	S	S	*	*			trans	-101.2	167.1	170	47	0	0	0	0	111.6
93	E	27.5	Very low	29.5	Very low	171 Å²	171	137.3 Å²	137.3	80%	0.799	74%	0.736	S	S	*	*			trans	69.1	157.9	169.4	-54.1	-168.9	134.9	0	0	115.3
94	T	27.6	Very low	29.6	Very low	122 Å²	122	134.5 Å²	134.5	75%	0.748	73%	0.727	S	S	*	*			cis	-142.3	163.7	18.1	-37.4	0	0	0	0	113
95	L	27.5	Very low	29.6	Very low	140 Å²	140	135 Å²	135	73%	0.733	73%	0.726	S	S	*	*			trans	-74.5	161.5	177.2	-43.3	94.8	0	0	0	114.8
96	K	28.6	Very low	29.7	Very low	196 Å²	196	136.5 Å²	136.5	85%	0.852	73%	0.731	S	S	*	*				171.6	155	125.4	-94.1	158.3	-177.8	178.1	0	110.9
97	I	32.3	Very low	29.7	Very low	127 Å²	127	134.6 Å²	134.6	65%	0.651	73%	0.73	S	S	*	*			cis	175.9	131.1	-28.2	-107.5	175.6	0	0	0	104.8
98	S	29.1	Very low	29.8	Very low	108 Å²	108	137.2 Å²	137.2	76%	0.755	74%	0.737	S	S	*	*			trans	174.6	116	147.8	51.2	0	0	0	0	106.3
99	N	32.4	Very low	29.8	Very low	127 Å²	127	143.8 Å²	143.8	68%	0.679	75%	0.748	S	S	*	*			cis	59.1	133.8	48.5	-57.2	26.4	0	0	0	110.7
100	I	31.3	Very low	29.6	Very low	136 Å²	136	141.9 Å²	141.9	70%	0.697	75%	0.752	S	S	*	*			cis	-144.3	133.3	40.1	-79.7	176.4	0	0	0	111.3
101	E	33.3	Very low	29.7	Very low	158 Å²	158	143.1 Å²	143.1	74%	0.738	75%	0.753	S	S	*	*				40.8	169	126.8	-41.1	171.6	173.5	0	0	121.1
102	S	35	Very low	29.9	Very low	96 Å²	96	143.4 Å²	143.4	67%	0.671	75%	0.75	S	S	*	*			cis	-152.3	168.8	9.4	-23.6	0	0	0	0	108.6
103	L	33.3	Very low	29.9	Very low	150 Å²	150	143.3 Å²	143.3	79%	0.785	75%	0.749	S	S	*	*			cis	-163.4	-163.6	-9.1	-130.5	173.4	0	0	0	108.1
104	D	31.9	Very low	29.9	Very low	118 Å²	118	141.7 Å²	141.7	63%	0.631	75%	0.745	S	S	*	*			trans	66	154.4	163.5	-72.5	29.7	0	0	0	117.6
105	N	27.4	Very low	29.9	Very low	119 Å²	119	141.5 Å²	141.5	64%	0.636	74%	0.74	S	S	*	*			cis	-149.1	153.2	-18	-96.3	-22.9	0	0	0	107.9
106	V	30.1	Very low	29.9	Very low	118 Å²	118	140.6 Å²	140.6	72%	0.715	74%	0.736	S	S	*	*			cis	83	116.9	34.1	-178.5	0	0	0	0	110.6
107	T	30.3	Very low	30	Very low	113 Å²	113	139.7 Å²	139.7	69%	0.693	73%	0.734	S	S	*	*			cis	-154	154.4	25	-15.5	0	0	0	0	115.1
108	E	29.1	Very low	30.2	Very low	188 Å²	188	142.9 Å²	142.9	88%	0.879	74%	0.743	S	S	*	*			trans	70.8	168.4	137.6	-95.5	165.5	-172.2	0	0	126.6
109	R	28.5	Very low	30.2	Very low	242 Å²	242	143.1 Å²	143.1	91%	0.913	75%	0.745	S	S	*	*			trans	-111.8	158.3	-175.7	-65.7	169.2	162.9	177.7	-7.3	111.4
110	S	26.5	Very low	29.9	Very low	122 Å²	122	143.1 Å²	143.1	85%	0.853	75%	0.75	S	S	*	*			trans	-158.4	168.4	143.6	57.5	0	0	0	0	111.8
111	E	28.7	Very low	30.1	Very low	171 Å²	171	144.9 Å²	144.9	80%	0.799	76%	0.755	S	S	*	*			trans	-116.6	-177.3	-168	-61.6	174.7	115.6	0	0	113.5
112	H	29.6	Very low	30.9	Very low	170 Å²	170	142.6 Å²	142.6	79%	0.787	75%	0.754	S	S	*	*			trans	72	138.8	175.1	-61	-69.6	0	0	0	115.7
113	T	26.9	Very low	30.6	Very low	117 Å²	117	145.4 Å²	145.4	72%	0.718	76%	0.758	S	S	*	*			cis	-152.7	-168.7	7.9	-4.8	0	0	0	0	109.1
114	L	28	Very low	30.6	Very low	137 Å²	137	146.2 Å²	146.2	72%	0.717	76%	0.758	S	S	*	*			cis	-154.2	163.1	10.1	-123.9	176.4	0	0	0	109.2
115	D	27.3	Very low	30.4	Very low	118 Å²	118	150 Å²	150	63%	0.631	77%	0.772	S	S	*	*			trans	-0.9	153.3	148.4	-68.1	23.8	0	0	0	121.5
116	N	28.6	Very low	30.7	Very low	121 Å²	121	151.6 Å²	151.6	65%	0.647	78%	0.781	S	S	*	*			cis	-159.4	156.5	1.4	-116.4	-27	0	0	0	114.8
117	H	31.3	Very low	30.8	Very low	178 Å²	178	151.6 Å²	151.6	82%	0.824	78%	0.78	S	S	*	*			trans	35.4	150.3	153.7	-85.3	-84.3	0	0	0	125.7
118	K	35.2	Very low	30.9	Very low	193 Å²	193	152.1 Å²	152.1	84%	0.839	78%	0.779	S	S	*	*			trans	-102	172.3	169.1	-84.1	-175.8	172.5	-177.7	0	112.6
119	S	28.7	Very low	31.2	Very low	113 Å²	113	148.4 Å²	148.4	79%	0.79	77%	0.765	S	S	*	*			trans	77.1	155	162.8	77.8	0	0	0	0	115.9
120	T	27.8	Very low	31.5	Very low	128 Å²	128	144.8 Å²	144.8	79%	0.785	76%	0.756	S	S	*	*			cis	-141.2	-178.5	10.2	53.7	0	0	0	0	112.2
121	E	34.3	Very low	31.9	Very low	173 Å²	173	143.1 Å²	143.1	81%	0.808	74%	0.744	S	S	*	*			trans	-80.9	-173.5	154.4	-44.5	176.6	136.8	0	0	110.1
122	P	51	Low	32	Very low	109 Å²	109	141.4 Å²	141.4	71%	0.708	74%	0.741	S	S	*	*			cis	-137.5	-177.1	-11.2	42	-23.8	0	0	0	116.6
123	M	28.3	Very low	32	Very low	155 Å²	155	139.6 Å²	139.6	76%	0.764	74%	0.735	S	S	*	*			trans	73.5	157.3	144.4	-91.8	-177.2	64.5	0	0	126.2
124	E	32.4	Very low	32	Very low	167 Å²	167	140.6 Å²	140.6	78%	0.78	74%	0.736	S	S	*	*			trans	70.9	152.7	168.3	-74.7	166.6	-150.1	0	0	118.3
125	E	28.7	Very low	32	Very low	197 Å²	197	139.9 Å²	139.9	92%	0.921	74%	0.738	S	S	*	*			cis	-121.4	-167.9	16.6	-66.5	-175.9	114.9	0	0	115.5
126	D	32.8	Very low	32	Very low	154 Å²	154	138.5 Å²	138.5	82%	0.824	74%	0.742	S	S	*	*			trans	-119.5	-176.1	-155.1	-145	-26.6	0	0	0	114.6
127	V	33.6	Very low	31.9	Very low	117 Å²	117	139.3 Å²	139.3	71%	0.709	75%	0.746	S	S	*	*			trans	138.1	99.7	137.8	178.2	0	0	0	0	118
128	N	32.5	Very low	31.7	Very low	124 Å²	124	138 Å²	138	66%	0.663	74%	0.744	S	S	*	*			trans	71.6	119.7	141.5	-82.3	-38.4	0	0	0	125.6
129	N	34	Very low	31.3	Very low	110 Å²	110	132.5 Å²	132.5	59%	0.588	73%	0.731	S	S	*	*				62.4	148.3	126.8	-62	-30.4	0	0	0	121.8
130	K	35.5	Very low	31.2	Very low	166 Å²	166	133.2 Å²	133.2	72%	0.722	73%	0.725	S	S	*	*			cis	-178.1	165.2	-7.4	-105.4	172	177.6	112.8	0	107
131	S	34.1	Very low	31.4	Very low	87 Å²	87	135.1 Å²	135.1	61%	0.608	73%	0.726	S	S	*	*			cis	178.8	170.8	-23.7	51.1	0	0	0	0	110.9
132	N	30.6	Very low	31.4	Very low	135 Å²	135	134 Å²	134	72%	0.722	73%	0.725	S	S	*	*			trans	87.9	117.6	155.8	-72.1	11.6	0	0	0	123
133	I	29.8	Very low	30.3	Very low	132 Å²	132	136.7 Å²	136.7	68%	0.677	73%	0.733	S	S	*	*				83	103.4	122.4	-63.5	173.4	0	0	0	120.8
134	D	27.2	Very low	30.4	Very low	138 Å²	138	137 Å²	137	74%	0.738	73%	0.733	S	S	*	*				61.2	137.4	123.6	-58.7	-26.8	0	0	0	126.7
135	V	28.3	Very low	30.3	Very low	122 Å²	122	135.3 Å²	135.3	74%	0.739	73%	0.729	S	S	*	*			trans	74.8	88.7	136.5	173.1	0	0	0	0	120.3
136	A	27	Very low	30.4	Very low	89 Å²	89	131.6 Å²	131.6	74%	0.736	72%	0.719	S	S	*	*				63.5	173.9	112.4	0	0	0	0	0	123.1
137	I	27.3	Very low	30.2	Very low	139 Å²	139	131.5 Å²	131.5	71%	0.713	72%	0.718	S	S	*	*			trans	81.2	114	160.9	-67.4	167.5	0	0	0	117.3
138	N	26	Very low	30	Very low	149 Å²	149	134.5 Å²	134.5	80%	0.797	72%	0.724	S	S	*	*			trans	64.7	164.8	149	-73.7	24.3	0	0	0	118.4
139	S	27.5	Very low	29.9	Very low	79 Å²	79	135.9 Å²	135.9	55%	0.552	73%	0.727	S	S	*	*			cis	-157.5	-169	-13.7	35.4	0	0	0	0	108.9
140	D	27.5	Very low	29.7	Very low	127 Å²	127	136.4 Å²	136.4	68%	0.679	73%	0.729	S	S	*	*			trans	75.2	109.2	157.6	-39.6	-49.4	0	0	0	114.1
141	E	32	Very low	29.5	Very low	169 Å²	169	134.5 Å²	134.5	79%	0.79	73%	0.727	S	S	*	*				71.2	120.5	58.3	-60.7	-170	162.6	0	0	112.9
142	D	32.7	Very low	29.3	Very low	149 Å²	149	139.1 Å²	139.1	80%	0.797	74%	0.736	S	S	*	*			trans	40.1	129.4	149.8	-52.4	-13.5	0	0	0	120.9
143	D	28.6	Very low	29.5	Very low	165 Å²	165	138.9 Å²	138.9	88%	0.882	73%	0.731	S	S	*	*				-153.8	163.7	107.3	-133	-28.5	0	0	0	113.2
144	E	31.3	Very low	29.5	Very low	163 Å²	163	138.4 Å²	138.4	76%	0.762	73%	0.727	S	S	*	*			trans	-111.1	-175	-170	-165.6	-176.3	-144.1	0	0	111.9
145	L	29.1	Very low	29.7	Very low	130 Å²	130	140.9 Å²	140.9	68%	0.681	73%	0.726	S	S	*	*			trans	86	90.6	154.2	-55.9	175.9	0	0	0	122.3
146	V	30.2	Very low	29.8	Very low	119 Å²	119	141.9 Å²	141.9	72%	0.721	73%	0.727	S	S	*	*				79.3	151.2	102.2	162.7	0	0	0	0	122.3
147	L	29.8	Very low	29.8	Very low	153 Å²	153	141 Å²	141	80%	0.801	73%	0.727	S	S	*	*			trans	81.7	146.7	-179	-50.2	-174.3	0	0	0	116.3
148	E	28.4	Very low	29.9	Very low	179 Å²	179	142.5 Å²	142.5	84%	0.836	73%	0.731	S	S	*	*			cis	-125.7	136.4	-0.6	-63.5	175.4	144.4	0	0	108.6
149	E	31.9	Very low	30	Very low	154 Å²	154	143 Å²	143	72%	0.72	73%	0.729	S	S	*	*				71.5	97.2	67.7	-149.8	-161.9	-101.3	0	0	116.5
150	N	29.5	Very low	30	Very low	120 Å²	120	145.2 Å²	145.2	64%	0.642	74%	0.738	S	S	*	*				175.4	114.1	112.8	-99.8	-74	0	0	0	117.6
151	N	30.7	Very low	29.9	Very low	126 Å²	126	148.4 Å²	148.4	67%	0.674	75%	0.749	S	S	*	*			trans	30.9	117.1	136.2	-64.1	-60	0	0	0	123.1
152	K	30.6	Very low	29.7	Very low	185 Å²	185	148 Å²	148	80%	0.804	75%	0.747	S	S	*	*				-161.5	113.3	103.4	-101.6	177.5	176.3	-179.8	0	110.2
153	E	33.8	Very low	29.4	Very low	130 Å²	130	146.9 Å²	146.9	61%	0.607	74%	0.741	S	S	*	*				64	129.4	86.4	-66.4	-167.3	124.8	0	0	114.2
154	M	30	Very low	29.3	Very low	122 Å²	122	145.5 Å²	145.5	60%	0.601	73%	0.733	S	S	*	*			cis	-155.4	141.8	-6	-111.3	-153.7	-77.5	0	0	108.7
155	R	32	Very low	29.1	Very low	189 Å²	189	146.7 Å²	146.7	71%	0.713	74%	0.736	S	S	*	*				58.4	141.7	92.4	-69.2	-163	-95.1	169.9	-0.4	115
156	D	29.8	Very low	29	Very low	143 Å²	143	144.7 Å²	144.7	77%	0.765	74%	0.738	S	S	*	*			cis	-158.5	-178.3	-5.4	-91.2	-24.7	0	0	0	106.5
157	G	27.5	Very low	28.8	Very low	71 Å²	71	145.3 Å²	145.3	73%	0.732	74%	0.738	S	S	*	*			cis	-176.4	-154.3	11	0	0	0	0	0	111.9
158	E	29.3	Very low	28.8	Very low	171 Å²	171	146.1 Å²	146.1	80%	0.799	74%	0.743	S	S	*	*			trans	-106.7	163.2	-160.4	-59.9	-178.8	85.2	0	0	117.5
159	Q	27.6	Very low	28.7	Very low	159 Å²	159	143.7 Å²	143.7	74%	0.743	73%	0.732	S	S	*	*			trans	55.1	134.2	139	-78	-174.8	55.1	0	0	123.8
160	V	27.8	Very low	28.5	Very low	125 Å²	125	145.8 Å²	145.8	76%	0.758	74%	0.741	S	S	*	*			trans	65.4	111.3	146.3	178.7	0	0	0	0	119
161	Q	26	Very low	28.3	Very low	194 Å²	194	146 Å²	146	91%	0.907	74%	0.742	S	S	*	*				-154.4	165	120.5	-155.7	146	-4.9	0	0	111.3
162	Q	27.8	Very low	28.1	Very low	160 Å²	160	148.1 Å²	148.1	75%	0.748	75%	0.751	S	S	*	*			trans	-100.3	167	-179.5	-76.4	-177.1	-108.9	0	0	113.2
163	D	26.4	Very low	27.8	Very low	126 Å²	126	147.3 Å²	147.3	67%	0.674	75%	0.75	S	S	*	*			trans	71.4	103.9	140.4	-78.1	18.2	0	0	0	120.5
164	L	25.8	Very low	27.6	Very low	136 Å²	136	151.4 Å²	151.4	71%	0.712	76%	0.762	S	S	*	*				147.5	140.9	108.7	-82.1	155	0	0	0	118.4
165	F	26.7	Very low	27.9	Very low	188 Å²	188	151.5 Å²	151.5	83%	0.825	77%	0.772	S	S	*	*			trans	72.8	138.7	151.6	-67.9	-52.4	0	0	0	124.8
166	A	26.9	Very low	27.6	Very low	88 Å²	88	145.7 Å²	145.7	73%	0.727	77%	0.771	S	S	*	*			trans	60.1	116.1	158.2	0	0	0	0	0	118.6
167	D	27.1	Very low	27.6	Very low	133 Å²	133	145.7 Å²	145.7	71%	0.711	77%	0.769	S	S	*	*				66.1	117.8	64.1	-91.7	-44.3	0	0	0	114.7	Q169	D167-Q169 PolarHBondContact OD1-NE2 3.28Å
168	D	28.6	Very low	27.5	Very low	169 Å²	169	149.9 Å²	149.9	90%	0.904	77%	0.771	S	S	*	*			trans	-151.1	146	136.2	-124.9	-23.2	0	0	0	109.1
169	Q	27.3	Very low	27.5	Very low	128 Å²	128	149 Å²	149	60%	0.598	77%	0.765	S	S	*	*			trans	-135.7	142	-169.9	-59.9	176.8	12.8	0	0	112.5	D167	D167-Q169 PolarHBondContact OD1-NE2 3.28Å
170	E	27.4	Very low	27.5	Very low	198 Å²	198	146.7 Å²	146.7	93%	0.925	76%	0.758	S	S	*	*			trans	-137.5	118.3	144.2	-72.7	-167.1	138.3	0	0	107.5
171	L	25.2	Very low	27.5	Very low	124 Å²	124	146.2 Å²	146.2	65%	0.649	76%	0.755	S	S	*	*			cis	79.7	93.8	36.9	-85.1	165	0	0	0	117.1
172	I	26.1	Very low	27.6	Very low	171 Å²	171	142 Å²	142	88%	0.877	74%	0.743	S	S	*	*			trans	-154.1	140.9	139.8	-49.3	-178.7	0	0	0	107.3
173	E	24.5	Very low	27.6	Very low	168 Å²	168	139.7 Å²	139.7	79%	0.785	74%	0.74	S	S	*	*			cis	-159.2	172.5	-49.6	-134.5	-170	163.3	0	0	108.5
174	Y	29.6	Very low	27.6	Very low	216 Å²	216	141 Å²	141	85%	0.847	74%	0.742	S	S	*	*			trans	-100.3	165.2	-174.7	-80.7	-86.8	0	0	0	112.9
175	P	35.5	Very low	27.7	Very low	124 Å²	124	141 Å²	141	81%	0.805	74%	0.742	S	S	*	*				-140	173.5	75.3	29.2	-7.3	0	0	0	113.7
176	G	27.6	Very low	27.7	Very low	67 Å²	67	137.9 Å²	137.9	69%	0.691	73%	0.734	S	S	*	*			cis	168.2	171.3	2.6	0	0	0	0	0	108.2
177	I	28.5	Very low	27.7	Very low	143 Å²	143	139.9 Å²	139.9	73%	0.733	73%	0.731	S	S	*	*			cis	-163.6	137.3	3.5	-111	164.9	0	0	0	107.7
178	M	26.9	Very low	27.7	Very low	159 Å²	159	138.7 Å²	138.7	78%	0.783	73%	0.729	S	S	*	*			trans	48.8	156.3	148.5	-58.4	-175.5	-174.3	0	0	120.8
179	K	29.3	Very low	27.8	Very low	154 Å²	154	137.3 Å²	137.3	67%	0.67	72%	0.722	S	S	*	*			cis	-163.3	-178.9	-4.1	-119.3	170.4	161.7	-76.4	0	106.5
180	D	27.3	Very low	27.9	Very low	109 Å²	109	136.4 Å²	136.4	58%	0.583	73%	0.729	S	S	*	*			cis	-152	-179.5	6.6	-139.9	-28.8	0	0	0	112.3
181	T	27	Very low	28	Very low	115 Å²	115	135.2 Å²	135.2	71%	0.706	72%	0.724	S	S	*	*			trans	-79.8	-179.6	167.3	8.3	0	0	0	0	112.5
182	T	28.2	Very low	28.1	Very low	106 Å²	106	134.8 Å²	134.8	65%	0.65	73%	0.726	S	S	*	*			cis	-171.5	153.3	44.3	-21.9	0	0	0	0	111.6
183	T	27.4	Very low	28.2	Very low	112 Å²	112	134.4 Å²	134.4	69%	0.687	72%	0.72	S	S	*	*			trans	24.4	153.7	141.5	55	0	0	0	0	122.3
184	Q	27.4	Very low	28.3	Very low	153 Å²	153	131.9 Å²	131.9	72%	0.715	72%	0.716	S	S	*	*			cis	-173.4	165.8	11.3	-123.9	173.6	-6.1	0	0	110.2
185	L	27	Very low	28.1	Very low	136 Å²	136	125.2 Å²	125.2	71%	0.712	71%	0.706	S	S	*	*			trans	61.6	151.9	146.3	-66.9	167.6	0	0	0	119.5
186	D	26.8	Very low	27.6	Very low	123 Å²	123	128.1 Å²	128.1	66%	0.658	71%	0.709	S	S	*	*			cis	-167.6	173.2	-25	-148.7	-6.7	0	0	0	110.7
187	I	27.3	Very low	27.5	Very low	130 Å²	130	134.3 Å²	134.3	67%	0.667	72%	0.717	S	S	*	*			trans	76.4	122	144.2	-82.3	162.8	0	0	0	123.7
188	T	28	Very low	27.4	Very low	108 Å²	108	135.2 Å²	135.2	66%	0.663	72%	0.72	S	S	*	*			trans	64.5	112.6	148.5	58.9	0	0	0	0	125.7
189	D	30.1	Very low	27.5	Very low	140 Å²	140	136.2 Å²	136.2	75%	0.749	72%	0.723	S	S	*	*				62.3	139.2	108.1	-51.3	-15.7	0	0	0	125.8
190	S	28.6	Very low	27.2	Very low	109 Å²	109	136.3 Å²	136.3	76%	0.762	73%	0.727	S	S	*	*			trans	74.4	149	148	76.7	0	0	0	0	119.2
191	E	29.5	Very low	27.2	Very low	173 Å²	173	138.3 Å²	138.3	81%	0.808	74%	0.737	S	S	*	*			cis	-166.3	167.9	-18.8	-113.5	-174.2	162.3	0	0	108.5
192	V	27.1	Very low	27.2	Very low	114 Å²	114	141.4 Å²	141.4	69%	0.691	74%	0.743	S	S	*	*			trans	47.6	129.8	138	170.9	0	0	0	0	119.1
193	E	28.5	Very low	27.2	Very low	163 Å²	163	145.1 Å²	145.1	76%	0.762	75%	0.753	S	S	*	*			cis	-166.3	-176.7	17.2	-133	178.2	168.3	0	0	113.9
194	T	26.4	Very low	27.2	Very low	115 Å²	115	146.9 Å²	146.9	71%	0.706	76%	0.764	S	S	*	*			trans	-3.2	162.7	157.2	52.6	0	0	0	0	123.4
195	A	25.5	Very low	27.3	Very low	77 Å²	77	149 Å²	149	64%	0.636	77%	0.774	S	S	*	*			cis	178.1	168.9	-21.8	0	0	0	0	0	110.6
196	Q	26.5	Very low	27.3	Very low	184 Å²	184	147.3 Å²	147.3	86%	0.86	78%	0.78	S	S	*	*			trans	69.4	159.3	169	-56.9	178.1	10.6	0	0	114.4
197	K	25.3	Very low	27.3	Very low	198 Å²	198	148.5 Å²	148.5	86%	0.861	79%	0.786	S	S	*	*			cis	-148.7	170.5	22.2	-154.7	175.4	-177.3	-173.7	0	112.4
198	M	25.2	Very low	27.4	Very low	161 Å²	161	147.9 Å²	147.9	79%	0.793	79%	0.793	S	S	*	*			trans	-86.2	153.3	-179.5	-61.1	157.7	57.2	0	0	113.5
199	E	28.9	Very low	27.3	Very low	180 Å²	180	148.8 Å²	148.8	84%	0.841	80%	0.798	S	S	*	*				177.7	123	124.3	-95.8	162.9	-171.8	0	0	108.7
200	M	24.5	Very low	27	Very low	156 Å²	156	151.5 Å²	151.5	77%	0.768	80%	0.804	S	S	*	*				68.4	119.2	83.8	-71.6	-70.4	-67.2	0	0	114.8
201	I	27.2	Very low	27	Very low	151 Å²	151	151.8 Å²	151.8	77%	0.774	80%	0.801	S	S	*	*				178.3	122.7	125.5	-91.4	157.6	0	0	0	111.7
202	E	26.3	Very low	26.8	Very low	180 Å²	180	147.2 Å²	147.2	84%	0.841	80%	0.8	S	S	*	*			trans	39.5	147.1	145.5	-54.6	-179.5	131.5	0	0	124.5
203	E	28.8	Very low	26.8	Very low	185 Å²	185	150.5 Å²	150.5	86%	0.864	81%	0.808	S	S	*	*			trans	-88.9	163.7	175	-57.7	165.1	131.1	0	0	111.7
204	T	26.7	Very low	26.6	Very low	148 Å²	148	150.1 Å²	150.1	91%	0.908	81%	0.811	S	S	*	*			trans	-156.7	136.1	151.4	-1.1	0	0	0	0	110.6
205	E	28.5	Very low	26.7	Very low	198 Å²	198	150.7 Å²	150.7	93%	0.925	82%	0.82	S	S	*	*			trans	-82	147.3	179.3	-58.7	179.2	126.7	0	0	112.1
206	A	28.2	Very low	26.8	Very low	101 Å²	101	157.2 Å²	157.2	84%	0.835	83%	0.834	S	S	*	*			trans	-152.4	117.3	160.1	0	0	0	0	0	110.8
207	D	26.5	Very low	26.7	Very low	148 Å²	148	153.2 Å²	153.2	79%	0.791	83%	0.832	S	S	*	*			trans	-80.8	141.2	175.1	174.8	31	0	0	0	111.6
208	S	28.8	Very low	26.7	Very low	117 Å²	117	150.5 Å²	150.5	82%	0.818	83%	0.832	S	S	*	*			trans	-169.4	146.6	147.9	45.4	0	0	0	0	112.1
209	T	26.6	Very low	26.7	Very low	126 Å²	126	151.8 Å²	151.8	77%	0.773	83%	0.834	S	S	*	*			trans	-109.4	134.6	-178.2	39.1	0	0	0	0	111.8
210	F	24.6	Very low	26.5	Very low	197 Å²	197	149.8 Å²	149.8	86%	0.864	83%	0.834	S	S	*	*			trans	-157.1	164.8	144.3	-141.3	-106.2	0	0	0	115.7
211	V	27	Very low	26.5	Very low	116 Å²	116	148.3 Å²	148.3	70%	0.703	83%	0.833	S	S	*	*			trans	-75.9	149.5	-167.9	-176	0	0	0	0	114
212	G	25.9	Very low	26.4	Very low	76 Å²	76	152.3 Å²	152.3	78%	0.784	84%	0.838	S	S	*	*			trans	-164.5	129.6	161.1	0	0	0	0	0	112.4
213	E	26.3	Very low	26.5	Very low	184 Å²	184	150.9 Å²	150.9	86%	0.86	84%	0.842	S	S	*	*			trans	-97.1	162	-178	-67.4	177.6	121.4	0	0	113.4
214	D	26	Very low	26.5	Very low	155 Å²	155	146.1 Å²	146.1	83%	0.829	83%	0.83	S	S	*	*			trans	37.5	120.9	154.5	-85.1	-1.4	0	0	0	121.5
215	S	26.7	Very low	26.7	Very low	126 Å²	126	145.5 Å²	145.5	88%	0.881	83%	0.831	S	S	*	*				-172	150.7	115.5	-87.7	0	0	0	0	114.7
216	K	27.7	Very low	26.7	Very low	215 Å²	215	140.5 Å²	140.5	94%	0.935	82%	0.818	S	S	*	*			trans	-80.3	137.6	174.7	-62	168.2	-177.9	168	0	111.5
217	A	25.2	Very low	26.9	Very low	100 Å²	100	139.1 Å²	139.1	83%	0.826	80%	0.802	S	S	*	*			trans	-149.1	121.7	157.6	0	0	0	0	0	112
218	T	25.8	Very low	27.4	Very low	141 Å²	141	138 Å²	138	87%	0.865	79%	0.79	S	S	*	*			trans	-72.1	139.8	175	-43.1	0	0	0	0	110.7
219	K	25.1	Very low	27.7	Very low	188 Å²	188	139.3 Å²	139.3	82%	0.817	79%	0.788	S	S	*	*			trans	-143	105.6	169.2	-150.2	170.8	-170.4	176.8	0	113.4
220	T	24.6	Very low	27.8	Very low	137 Å²	137	137.7 Å²	137.7	84%	0.84	78%	0.782	S	S	*	*			trans	-68.8	129.3	171.4	-44.3	0	0	0	0	110.2
221	V	25.1	Very low	28.3	Very low	126 Å²	126	133.9 Å²	133.9	76%	0.764	77%	0.774	S	S	*	*			trans	-130.9	145.5	171.6	-177.7	0	0	0	0	109.3
222	R	24	Very low	28.8	Very low	234 Å²	234	132 Å²	132	88%	0.883	76%	0.763	S	S	*	*			trans	-75.1	150.4	-172.7	-67.6	171.7	171.8	143.4	-5.3	112	S224	R222-S224 PolarHBondContact O-N 3.25Å
223	T	29.6	Very low	29.4	Very low	150 Å²	150	132.9 Å²	132.9	92%	0.92	76%	0.757	S	S	*	*			trans	-66.3	122.3	169.1	47.8	0	0	0	0	111.4
224	S	27	Very low	29.8	Very low	86 Å²	86	130.4 Å²	130.4	60%	0.601	76%	0.755	S	S	*	*			trans	-118.1	129.3	163.5	50.5	0	0	0	0	109.6	R222 S226	R222-S224 PolarHBondContact O-N 3.25Å; S224-S226 PolarHBondContact O-N 2.9Å
225	S	31.9	Very low	30	Very low	135 Å²	135	129 Å²	129	94%	0.944	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	40.3	-169.1	54.6	0	0	0	0	114
226	S	29	Very low	30.4	Very low	93 Å²	93	131.2 Å²	131.2	65%	0.65	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.1	-1.9	-179.9	69.3	0	0	0	0	115.1	S224 F228	S224-S226 PolarHBondContact O-N 2.9Å; S226-F228 VanDerWaalsContact C-N 3.29Å; S226-F228 PolarHBondContact O-N 3.02Å
227	S	31.5	Very low	30.6	Very low	71 Å²	71	125 Å²	125	50%	0.497	74%	0.741	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.7	-13.5	-179.4	54.7	0	0	0	0	114.8	L229 S230 T231	S227-L229 VanDerWaalsContact C-N 3.34Å; S227-L229 PolarHBondContact O-N 3.37Å; S227-S230 PolarHBondContact O-OG 3.47Å; S227-T231 PolarHBondContact O-OG1 3.49Å
228	F	36.5	Very low	31	Very low	124 Å²	124	126.3 Å²	126.3	54%	0.544	74%	0.741	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.5	-21.6	-172.1	-118	-93.4	0	0	0	114.8	S226 T258	S226-F228 VanDerWaalsContact C-N 3.29Å; S226-F228 PolarHBondContact O-N 3.02Å; F228-T258 HydrophobicContact CD1-CG2 4.47Å
229	L	35.5	Very low	31.5	Very low	146 Å²	146	122.3 Å²	122.3	76%	0.764	72%	0.722	S	S	*	*	S	Bend	trans	-99	-17.9	-178	-70.5	170.5	0	0	0	113.6	S227	S227-L229 VanDerWaalsContact C-N 3.34Å; S227-L229 PolarHBondContact O-N 3.37Å
230	S	29.7	Very low	32.1	Very low	92 Å²	92	123.5 Å²	123.5	64%	0.643	73%	0.728	S	S	*	*	S	Bend	trans	-85.7	-8.6	-173.2	58.3	0	0	0	0	114.7	S227	S227-S230 PolarHBondContact O-OG 3.47Å
231	T	35	Very low	33.7	Very low	116 Å²	116	119.8 Å²	119.8	71%	0.712	72%	0.717	S	S	*	*	S	Bend	trans	-107.5	0.2	-170.8	-22.3	0	0	0	0	114.5	S227 S233	S227-T231 PolarHBondContact O-OG1 3.49Å; T231-S233 PolarHBondContact O-N 2.91Å
232	V	36.6	Very low	34.9	Very low	78 Å²	78	121.4 Å²	121.4	47%	0.473	71%	0.709	S	S	.	*	S	Bend	trans	-77.7	3	179.9	-170	0	0	0	0	112.3	E251	V232-E251 HydrophobicContact CG1-CG 4.47Å
233	S	37.8	Very low	36.3	Very low	94 Å²	94	111.9 Å²	111.9	66%	0.657	68%	0.68	S	S	*	*			trans	-147.2	100.3	179.8	175.1	0	0	0	0	112.5	T231	T231-S233 PolarHBondContact O-N 2.91Å
234	T	35.1	Very low	37.7	Very low	131 Å²	131	114.4 Å²	114.4	80%	0.804	67%	0.673	S	S	*	*				179.5	90.4	113.6	34.1	0	0	0	0	111.5
235	C	30.3	Very low	39.4	Very low	125 Å²	125	115.1 Å²	115.1	85%	0.845	67%	0.668	S	S	*	*	S	Bend	trans	-141.7	141	155.4	-89.7	0	0	0	0	109.7
236	E	35.3	Very low	41.7	Very low	173 Å²	173	108.9 Å²	108.9	81%	0.808	62%	0.624	S	S	*	*	S	Bend	trans	64.5	158.4	179.9	-54.1	-166.2	152.4	0	0	117.6
237	A	32.7	Very low	44.3	Very low	85 Å²	85	107.6 Å²	107.6	70%	0.702	61%	0.607	S	S	*	*	S	Bend	trans	-71.2	154.4	-178.8	0	0	0	0	0	111.7	A239	A237-A239 PolarHBondContact O-N 3.48Å
238	P	33.3	Very low	46.9	Very low	128 Å²	128	110.9 Å²	110.9	83%	0.831	61%	0.613	S	S	*	*			trans	-58.2	106.3	-173	21.8	-34.3	0	0	0	112.7	K240	P238-K240 PolarHBondContact O-N 3.43Å
239	A	37.1	Very low	49.5	Very low	57 Å²	57	105.8 Å²	105.8	47%	0.471	59%	0.591	S	S	.	*			trans	-59.8	127.5	-174.7	0	0	0	0	0	111.9	A237 A243	A237-A239 PolarHBondContact O-N 3.48Å; A239-A243 HydrophobicContact CB-CB 3.82Å
240	K	36	Very low	52.1	Low	213 Å²	213	99.6 Å²	99.6	93%	0.926	56%	0.558	S	S	*	*			trans	-81.8	127.8	179	-66.7	175.5	-178.2	170.4	0	110	P238	P238-K240 PolarHBondContact O-N 3.43Å
241	G	58.1	Low	55	Low	59 Å²	59	99.1 Å²	99.1	61%	0.608	55%	0.545	S	S	*	.	S	Bend	trans	81.6	-140.4	176.5	0	0	0	0	0	113.9	A243 R244	G241-A243 VanDerWaalsContact C-N 3.3Å; G241-A243 PolarHBondContact O-N 2.84Å; G241-R244 PolarHBondContact O-N 3.25Å
242	R	52	Low	57.8	Low	160 Å²	160	98.5 Å²	98.5	60%	0.604	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-33.4	-52.3	-163.9	-55.7	175.3	-164.8	169.5	2.5	115.8	R244 M245 E503	R242-R244 PolarHBondContact O-N 3.2Å; R242-R244 VanDerWaalsContact O-N 3.16Å; R242-M245 PolarHBondContact O-N 3.45Å; R242-E503 WeakPolarHBondContact CD-O 3.29Å; R242-E503 HydrophobicContact CG-CB 3.96Å; R242-E503 IonicContact CZ-OE2 3.23Å; R242-E503 VanDerWaalsContact CZ-OE2 3.3Å; R242-E503 IonicContact NE-OE2 3.6Å; R242-E503 PolarHBondContact NE-OE2 2.88Å; R242-E503 IonicContact NH2-OE2 2.71Å; R242-E503 PolarHBondContact NH2-OE2 3.29Å
243	A	51.7	Low	60.5	Low	33 Å²	33	95 Å²	95	27%	0.273	51%	0.512	S	S	.	.	H	α-helix	trans	-56.3	-34.8	-173.1	0	0	0	0	0	113.5	A239 G241 M245 Q247	A239-A243 HydrophobicContact CB-CB 3.82Å; G241-A243 VanDerWaalsContact C-N 3.3Å; G241-A243 PolarHBondContact O-N 2.84Å; A243-M245 VanDerWaalsContact C-N 3.3Å; A243-M245 PolarHBondContact O-N 3.28Å; A243-Q247 PolarHBondContact O-N 2.86Å
244	R	60.3	Low	63.2	Low	204 Å²	204	91.8 Å²	91.8	77%	0.77	49%	0.488	S	S	*	.	H	α-helix	trans	-73.4	-19.2	-178.9	-163.8	177.3	-175.9	-158.1	1.8	113.6	G241 R242	G241-R244 PolarHBondContact O-N 3.25Å; R242-R244 PolarHBondContact O-N 3.2Å; R242-R244 VanDerWaalsContact O-N 3.16Å
245	M	62.9	Low	66	Low	101 Å²	101	89.2 Å²	89.2	50%	0.498	47%	0.468	S	S	.	.	H	α-helix	trans	-75.7	-55	175.9	-175.7	171.9	174.4	0	0	110.3	R242 A243 Q247 K248 F501	R242-M245 PolarHBondContact O-N 3.45Å; A243-M245 VanDerWaalsContact C-N 3.3Å; A243-M245 PolarHBondContact O-N 3.28Å; M245-Q247 VanDerWaalsContact C-N 3.3Å; M245-Q247 PolarHBondContact O-N 3.33Å; M245-K248 PolarHBondContact O-N 3.27Å; M245-F501 HydrophobicContact CE-CD1 4.02Å; M245-F501 HydrophobicContact CE-CE1 3.95Å; M245-F501 HydrophobicContact SD-CD1 4.44Å
246	Y	80.1	Confident	69.1	Low	4 Å²	4	84.1 Å²	84.1	2%	0.016	44%	0.435	C	S	.	.	H	α-helix	trans	-68.7	-24.3	-176.6	-173.7	-104.8	0	0	0	114	K248 E249 L250 M504 T509 A510	Y246-K248 PolarHBondContact O-N 3.12Å; Y246-E249 HydrophobicContact CD2-CB 4.05Å; Y246-E249 HydrophobicContact CE2-CB 4.04Å; Y246-E249 PolarHBondContact O-N 3.19Å; Y246-L250 HydrophobicContact CD1-CB 4.43Å; Y246-L250 HydrophobicContact CE1-CB 4.06Å; Y246-L250 HydrophobicContact CE1-CD1 4.49Å; Y246-L250 PolarHBondContact O-N 3.1Å; Y246-M504 HydrophobicContact CD2-CE 4.08Å; Y246-M504 HydrophobicContact CD2-SD 3.48Å; Y246-M504 WeakPolarHBondContact CD2-SD 3.4Å; Y246-M504 HydrophobicContact CE2-CE 4.35Å; Y246-M504 HydrophobicContact CE2-SD 4.2Å; Y246-M504 HydrophobicContact CG-SD 3.75Å; Y246-T509 HydrophobicContact CD2-CG2 4.39Å; Y246-T509 HydrophobicContact CE1-CG2 4.4Å; Y246-T509 HydrophobicContact CE2-CG2 3.73Å; Y246-T509 VanDerWaalsContact OH-CB 3.31Å; Y246-T509 WeakPolarHBondContact OH-CB 3.33Å; Y246-A510 PolarHBondContact OH-N 3.39Å; Y246-A510 PolarHBondContact OH-O 3.12Å
247	Q	83.8	Confident	71.9	Confident	66 Å²	66	76 Å²	76	31%	0.308	40%	0.397	S	S	.	.	H	α-helix	trans	-52.7	-38.7	177.6	178.6	57.9	30.7	0	0	113.2	A243 M245 L250 E251	A243-Q247 PolarHBondContact O-N 2.86Å; M245-Q247 VanDerWaalsContact C-N 3.3Å; M245-Q247 PolarHBondContact O-N 3.33Å; Q247-L250 PolarHBondContact O-N 3.12Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.36Å; Q247-E251 PolarHBondContact NE2-OE1 3.24Å; Q247-E251 WeakPolarHBondContact O-CG 3.33Å; Q247-E251 PolarHBondContact O-N 3.06Å
248	K	86.2	Confident	74.8	Confident	140 Å²	140	74.9 Å²	74.9	61%	0.609	38%	0.382	S	S	*	.	H	α-helix	trans	-66.4	-38.2	177	-67.8	-173.8	174	-171	0	112.9	M245 Y246 E251 K252	M245-K248 PolarHBondContact O-N 3.27Å; Y246-K248 PolarHBondContact O-N 3.12Å; K248-E251 WeakPolarHBondContact O-CB 3.38Å; K248-E251 PolarHBondContact O-N 2.84Å; K248-K252 WeakPolarHBondContact O-CG 3.49Å; K248-K252 PolarHBondContact O-N 2.93Å
249	E	89.3	Confident	77.6	Confident	17 Å²	17	76.4 Å²	76.4	8%	0.079	38%	0.378	C	S	.	.	H	α-helix	trans	-70.1	-40.8	178.2	-55.5	-47.7	118.7	0	0	110.2	Y246 E251 K252 H253 F501 H687	Y246-E249 HydrophobicContact CD2-CB 4.05Å; Y246-E249 HydrophobicContact CE2-CB 4.04Å; Y246-E249 PolarHBondContact O-N 3.19Å; E249-E251 VanDerWaalsContact C-N 3.31Å; E249-E251 PolarHBondContact O-N 3.46Å; E249-K252 WeakPolarHBondContact O-CB 3.22Å; E249-K252 PolarHBondContact O-N 3.2Å; E249-K252 WeakPolarHBondContact OE1-CE 3.44Å; E249-K252 IonicContact OE1-NZ 2.65Å; E249-K252 PolarHBondContact OE1-NZ 3.1Å; E249-K252 WeakPolarHBondContact OE2-CD 3.33Å; E249-K252 VanDerWaalsContact OE2-CE 3.26Å; E249-K252 WeakPolarHBondContact OE2-CE 2.99Å; E249-K252 IonicContact OE2-NZ 2.84Å; E249-K252 PolarHBondContact OE2-NZ 3.31Å; E249-H253 PolarHBondContact O-CD2 2.84Å; E249-H253 PolarHBondContact O-N 3.36Å; E249-H253 PolarHBondContact O-NE2 2.79Å; E249-F501 HydrophobicContact CG-CZ 4.3Å; E249-H687 IonicContact OE2-CE1 3.47Å
250	L	90.2	Very high	80.2	Confident	15 Å²	15	75.3 Å²	75.3	8%	0.079	37%	0.372	C	S	.	.	H	α-helix	trans	-58.8	-41.2	172.1	-172.7	58.6	0	0	0	112.2	Y246 Q247 H253 V254 A510 L511 F595	Y246-L250 HydrophobicContact CD1-CB 4.43Å; Y246-L250 HydrophobicContact CE1-CB 4.06Å; Y246-L250 HydrophobicContact CE1-CD1 4.49Å; Y246-L250 PolarHBondContact O-N 3.1Å; Q247-L250 PolarHBondContact O-N 3.12Å; L250-H253 PolarHBondContact O-N 3.45Å; L250-V254 WeakPolarHBondContact O-CG2 3.24Å; L250-V254 PolarHBondContact O-N 2.83Å; L250-A510 HydrophobicContact CD1-CB 3.85Å; L250-L511 HydrophobicContact CD1-CB 4.37Å; L250-L511 HydrophobicContact CD1-CD1 4.07Å; L250-L511 HydrophobicContact CD1-CG 4.13Å; L250-F595 HydrophobicContact CD1-CE2 3.95Å; L250-F595 HydrophobicContact CD1-CZ 3.88Å; L250-F595 HydrophobicContact CD2-CE2 4.36Å; L250-F595 HydrophobicContact CD2-CZ 4.16Å; L250-F595 HydrophobicContact CG-CZ 4.19Å
251	E	91.5	Very high	82.8	Confident	82 Å²	82	70.5 Å²	70.5	38%	0.383	36%	0.357	S	S	.	.	H	α-helix	trans	-61.3	-45.9	173.2	-74.3	159	-165.4	0	0	112.1	V232 Q247 K248 E249 H253 V254 I255	V232-E251 HydrophobicContact CG1-CG 4.47Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.36Å; Q247-E251 PolarHBondContact NE2-OE1 3.24Å; Q247-E251 WeakPolarHBondContact O-CG 3.33Å; Q247-E251 PolarHBondContact O-N 3.06Å; K248-E251 WeakPolarHBondContact O-CB 3.38Å; K248-E251 PolarHBondContact O-N 2.84Å; E249-E251 VanDerWaalsContact C-N 3.31Å; E249-E251 PolarHBondContact O-N 3.46Å; E251-H253 VanDerWaalsContact C-N 3.3Å; E251-H253 PolarHBondContact O-N 2.87Å; E251-V254 PolarHBondContact O-N 2.93Å; E251-I255 WeakPolarHBondContact O-CG1 3.13Å; E251-I255 PolarHBondContact O-N 3.24Å; E251-I255 VanDerWaalsContact O-N 3.14Å
252	K	93.3	Very high	84.6	Confident	104 Å²	104	68.4 Å²	68.4	45%	0.452	33%	0.331	S	S	.	.	H	α-helix	trans	-57.3	-42.8	171.7	-64.5	179.6	-158.4	165.1	0	111.6	K248 E249 I255 A256	K248-K252 WeakPolarHBondContact O-CG 3.49Å; K248-K252 PolarHBondContact O-N 2.93Å; E249-K252 WeakPolarHBondContact O-CB 3.22Å; E249-K252 PolarHBondContact O-N 3.2Å; E249-K252 WeakPolarHBondContact OE1-CE 3.44Å; E249-K252 IonicContact OE1-NZ 2.65Å; E249-K252 PolarHBondContact OE1-NZ 3.1Å; E249-K252 WeakPolarHBondContact OE2-CD 3.33Å; E249-K252 VanDerWaalsContact OE2-CE 3.26Å; E249-K252 WeakPolarHBondContact OE2-CE 2.99Å; E249-K252 IonicContact OE2-NZ 2.84Å; E249-K252 PolarHBondContact OE2-NZ 3.31Å; K252-I255 PolarHBondContact O-N 3.38Å; K252-A256 WeakPolarHBondContact O-CB 3.4Å; K252-A256 PolarHBondContact O-N 3.11Å
253	H	94.2	Very high	86.6	Confident	5 Å²	5	61.4 Å²	61.4	2%	0.023	31%	0.306	C	S	.	.	H	α-helix	trans	-67.7	-38.8	-178.8	-56.9	170.1	0	0	0	112	E249 L250 E251 I255 A256 F257 A510 L511 P653	E249-H253 PolarHBondContact O-CD2 2.84Å; E249-H253 PolarHBondContact O-N 3.36Å; E249-H253 PolarHBondContact O-NE2 2.79Å; L250-H253 PolarHBondContact O-N 3.45Å; E251-H253 VanDerWaalsContact C-N 3.3Å; E251-H253 PolarHBondContact O-N 2.87Å; H253-I255 VanDerWaalsContact C-N 3.32Å; H253-I255 PolarHBondContact O-N 3.31Å; H253-A256 PolarHBondContact O-N 3.28Å; H253-F257 WeakPolarHBondContact O-CB 3.33Å; H253-F257 WeakPolarHBondContact O-CD2 3.37Å; H253-F257 PolarHBondContact O-N 3.38Å; H253-A510 PolarHBondContact ND1-O 3.33Å; H253-L511 HydrophobicContact CB-CB 3.51Å; H253-L511 HydrophobicContact CB-CD1 4.17Å; H253-L511 HydrophobicContact CB-CG 4.49Å; H253-L511 PolarHBondContact ND1-O 2.85Å; H253-P653 WeakPolarHBondContact NE2-CD 3.42Å; H253-P653 VanDerWaalsContact NE2-CG 3.3Å; H253-P653 WeakPolarHBondContact NE2-CG 3.25Å
254	V	94.4	Very high	88.7	Confident	26 Å²	26	59.9 Å²	59.9	16%	0.158	29%	0.294	C	S	.	.	H	α-helix	trans	-56.9	-47.7	172.7	169.5	0	0	0	0	110.1	L250 E251 T258 L511 F595	L250-V254 WeakPolarHBondContact O-CG2 3.24Å; L250-V254 PolarHBondContact O-N 2.83Å; E251-V254 PolarHBondContact O-N 2.93Å; V254-T258 VanDerWaalsContact O-CB 3.25Å; V254-T258 WeakPolarHBondContact O-CB 3.49Å; V254-T258 PolarHBondContact O-N 2.82Å; V254-T258 VanDerWaalsContact O-N 3.11Å; V254-T258 PolarHBondContact O-OG1 3.13Å; V254-L511 HydrophobicContact CB-CD1 4.18Å; V254-L511 HydrophobicContact CG2-CD1 3.42Å; V254-L511 VanDerWaalsContact CG2-CD1 3.42Å; V254-F595 HydrophobicContact CG2-CE1 3.86Å; V254-F595 HydrophobicContact CG2-CZ 4.34Å
255	I	94.3	Very high	90.5	Very high	76 Å²	76	52.3 Å²	52.3	39%	0.39	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-54.8	178.3	-65.5	166.6	0	0	0	110	E251 K252 H253 F257 T258 E259	E251-I255 WeakPolarHBondContact O-CG1 3.13Å; E251-I255 PolarHBondContact O-N 3.24Å; E251-I255 VanDerWaalsContact O-N 3.14Å; K252-I255 PolarHBondContact O-N 3.38Å; H253-I255 VanDerWaalsContact C-N 3.32Å; H253-I255 PolarHBondContact O-N 3.31Å; I255-F257 VanDerWaalsContact C-N 3.35Å; I255-F257 PolarHBondContact O-N 3.39Å; I255-T258 PolarHBondContact O-N 3.23Å; I255-E259 VanDerWaalsContact CG2-CD 3.44Å; I255-E259 HydrophobicContact CG2-CG 4.07Å; I255-E259 WeakPolarHBondContact CG2-OE2 3.5Å; I255-E259 PolarHBondContact O-N 2.86Å
256	A	94.4	Very high	92	Very high	18 Å²	18	47.5 Å²	47.5	15%	0.149	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-40.5	-177.5	0	0	0	0	0	113.5	K252 H253 G260 N651 I652	K252-A256 WeakPolarHBondContact O-CB 3.4Å; K252-A256 PolarHBondContact O-N 3.11Å; H253-A256 PolarHBondContact O-N 3.28Å; A256-G260 WeakPolarHBondContact O-CA 3.39Å; A256-G260 PolarHBondContact O-N 2.7Å; A256-G260 VanDerWaalsContact O-N 3.12Å; A256-N651 HydrophobicContact CB-CB 4.16Å; A256-I652 HydrophobicContact CB-CD1 3.61Å
257	F	94.9	Very high	92.8	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.013	24%	0.244	C	C	.	.	H	α-helix	trans	-68.1	-34	174.3	-97.1	-86.2	0	0	0	113.4	H253 I255 N261 L262 L264 L511 R603 F649 I652	H253-F257 WeakPolarHBondContact O-CB 3.33Å; H253-F257 WeakPolarHBondContact O-CD2 3.37Å; H253-F257 PolarHBondContact O-N 3.38Å; I255-F257 VanDerWaalsContact C-N 3.35Å; I255-F257 PolarHBondContact O-N 3.39Å; F257-N261 PolarHBondContact O-N 3.08Å; F257-L262 HydrophobicContact CD1-CB 3.59Å; F257-L262 HydrophobicContact CE1-CB 4.01Å; F257-L262 HydrophobicContact CG-CB 4.21Å; F257-L262 HydrophobicContact CG-CD1 4.5Å; F257-L262 PolarHBondContact O-N 2.74Å; F257-L264 HydrophobicContact CE1-CD2 4.41Å; F257-L264 HydrophobicContact CE1-CG 4.25Å; F257-L264 HydrophobicContact CZ-CD2 4.19Å; F257-L264 HydrophobicContact CZ-CG 4.39Å; F257-L511 HydrophobicContact CD2-CB 4.01Å; F257-L511 HydrophobicContact CD2-CD2 4.43Å; F257-L511 HydrophobicContact CE2-CB 4.01Å; F257-L511 WeakPolarHBondContact CE2-O 3.48Å; F257-R603 HydrophobicContact CD1-CB 4.44Å; F257-R603 HydrophobicContact CD1-CG 4.33Å; F257-R603 HydrophobicContact CE1-CB 4.03Å; F257-R603 HydrophobicContact CE1-CG 4.13Å; F257-R603 HydrophobicContact CZ-CB 4.26Å; F257-F649 AromaticContact CE1-CE1 3.98Å; F257-F649 HydrophobicContact CE1-CE1 3.98Å; F257-F649 AromaticContact CZ-CE1 3.99Å; F257-F649 HydrophobicContact CZ-CE1 3.99Å; F257-I652 HydrophobicContact CD2-CD1 3.45Å; F257-I652 VanDerWaalsContact CD2-CD1 3.45Å; F257-I652 HydrophobicContact CD2-CG1 4.2Å; F257-I652 HydrophobicContact CE2-CD1 3.59Å; F257-I652 HydrophobicContact CE2-CG1 3.93Å; F257-I652 HydrophobicContact CE2-CG2 3.82Å; F257-I652 HydrophobicContact CG-CD1 4.35Å; F257-I652 HydrophobicContact CZ-CG2 4.31Å
258	T	92.1	Very high	93.2	Very high	61 Å²	61	45.5 Å²	45.5	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-82.4	-52.7	-173.7	-56	0	0	0	0	111.1	F228 V254 I255 N261	F228-T258 HydrophobicContact CD1-CG2 4.47Å; V254-T258 VanDerWaalsContact O-CB 3.25Å; V254-T258 WeakPolarHBondContact O-CB 3.49Å; V254-T258 PolarHBondContact O-N 2.82Å; V254-T258 VanDerWaalsContact O-N 3.11Å; V254-T258 PolarHBondContact O-OG1 3.13Å; I255-T258 PolarHBondContact O-N 3.23Å; T258-N261 PolarHBondContact O-N 2.69Å
259	E	93	Very high	93.5	Very high	161 Å²	161	43.3 Å²	43.3	75%	0.752	23%	0.23	S	C	*	.	H	α-helix	trans	-67.1	-39.9	177.7	-63.9	-176.7	169.1	0	0	111.7	I255 N261	I255-E259 VanDerWaalsContact CG2-CD 3.44Å; I255-E259 HydrophobicContact CG2-CG 4.07Å; I255-E259 WeakPolarHBondContact CG2-OE2 3.5Å; I255-E259 PolarHBondContact O-N 2.86Å; E259-N261 PolarHBondContact O-N 2.91Å
260	G	90.8	Very high	93.7	Very high	34 Å²	34	50.3 Å²	50.3	35%	0.351	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-8.9	175.1	0	0	0	0	0	114.7	A256 L262	A256-G260 WeakPolarHBondContact O-CA 3.39Å; A256-G260 PolarHBondContact O-N 2.7Å; A256-G260 VanDerWaalsContact O-N 3.12Å; G260-L262 PolarHBondContact O-N 2.76Å
261	N	92	Very high	93.9	Very high	112 Å²	112	51.2 Å²	51.2	60%	0.599	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	43	-171.4	-169.5	-7.1	0	0	0	111.2	F257 T258 E259 R598	F257-N261 PolarHBondContact O-N 3.08Å; T258-N261 PolarHBondContact O-N 2.69Å; E259-N261 PolarHBondContact O-N 2.91Å; N261-R598 PolarHBondContact OD1-NH2 3.13Å
262	L	94.9	Very high	94	Very high	14 Å²	14	50.8 Å²	50.8	7%	0.073	27%	0.266	C	S	.	.			trans	-74	139.4	-170.7	-59.1	-176.2	0	0	0	110.4	F257 G260 K648 F649 I652	F257-L262 HydrophobicContact CD1-CB 3.59Å; F257-L262 HydrophobicContact CE1-CB 4.01Å; F257-L262 HydrophobicContact CG-CB 4.21Å; F257-L262 HydrophobicContact CG-CD1 4.5Å; F257-L262 PolarHBondContact O-N 2.74Å; G260-L262 PolarHBondContact O-N 2.76Å; L262-K648 HydrophobicContact CD2-CB 3.74Å; L262-K648 WeakPolarHBondContact CD2-O 3.47Å; L262-F649 HydrophobicContact CB-CE1 4.01Å; L262-F649 HydrophobicContact CB-CZ 3.96Å; L262-F649 HydrophobicContact CD1-CD1 4.13Å; L262-F649 HydrophobicContact CD1-CE1 4.14Å; L262-I652 HydrophobicContact CD1-CD1 3.92Å; L262-I652 HydrophobicContact CD1-CG1 3.49Å; L262-I652 VanDerWaalsContact CD1-CG1 3.49Å
263	T	94.9	Very high	93.9	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.086	26%	0.264	C	S	.	.			trans	-141	121.2	-179.8	-66.4	0	0	0	0	107.1	D267 R598 F599	T263-D267 HydrophobicContact CG2-CB 4.29Å; T263-R598 PolarHBondContact OG1-NE 2.68Å; T263-R598 PolarHBondContact OG1-NH2 3.45Å; T263-F599 HydrophobicContact CG2-CD2 4.16Å; T263-F599 HydrophobicContact CG2-CE2 3.52Å; T263-F599 HydrophobicContact CG2-CZ 4.43Å
264	L	96.3	Very high	93.8	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-66.9	154.6	-175	-67.4	169.3	0	0	0	111	F257 P266 V563 R601 R603 Q645 F649	F257-L264 HydrophobicContact CE1-CD2 4.41Å; F257-L264 HydrophobicContact CE1-CG 4.25Å; F257-L264 HydrophobicContact CZ-CD2 4.19Å; F257-L264 HydrophobicContact CZ-CG 4.39Å; L264-P266 CarbonylContact O-C 3.57Å; L264-V563 HydrophobicContact CB-CG1 3.86Å; L264-V563 HydrophobicContact CB-CG2 4.08Å; L264-V563 HydrophobicContact CD1-CG1 3.63Å; L264-V563 HydrophobicContact CD1-CG2 4.22Å; L264-V563 HydrophobicContact CG-CG1 4.4Å; L264-R601 PolarHBondContact O-NH2 3.23Å; L264-R603 HydrophobicContact CD1-CB 4.44Å; L264-Q645 VanDerWaalsContact CD2-CD 3.48Å; L264-Q645 HydrophobicContact CD2-CG 3.88Å; L264-F649 HydrophobicContact CD2-CD1 4.34Å; L264-F649 HydrophobicContact CD2-CE1 3.52Å; L264-F649 HydrophobicContact CD2-CZ 3.91Å; L264-F649 HydrophobicContact CG-CE1 4.4Å
265	Q	96.4	Very high	93.8	Very high	45 Å²	45	53.6 Å²	53.6	21%	0.21	28%	0.283	C	S	.	.	S	Bend	trans	-78.6	143.2	176.9	-65.1	-62.4	-11.8	0	0	111.3
266	P	95.9	Very high	93.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.266	C	S	.	.	S	Bend	cis	-70.4	129.6	-4.4	30.3	-36.7	0	0	0	111.9	L264 L268 V271 R601	L264-P266 CarbonylContact O-C 3.57Å; P266-L268 HydrophobicContact CB-CD2 4.06Å; P266-L268 HydrophobicContact CG-CD2 3.97Å; P266-L268 PolarHBondContact O-N 3.35Å; P266-V271 HydrophobicContact CB-CG1 4.19Å; P266-V271 HydrophobicContact CB-CG2 4.16Å; P266-R601 PolarHBondContact O-NH1 3.08Å; P266-R601 PolarHBondContact O-NH2 2.92Å
267	D	95.3	Very high	93.9	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.027	26%	0.26	C	S	.	.			trans	-80.7	101.9	166	179.9	-9.4	0	0	0	108.5	T263 N269 K270 V271 F599	T263-D267 HydrophobicContact CG2-CB 4.29Å; D267-N269 PolarHBondContact O-N 2.88Å; D267-N269 WeakPolarHBondContact OD1-CB 3.27Å; D267-N269 PolarHBondContact OD1-N 3.26Å; D267-N269 VanDerWaalsContact OD1-N 3.12Å; D267-N269 PolarHBondContact OD1-ND2 3.3Å; D267-K270 HydrophobicContact CB-CB 4.47Å; D267-K270 PolarHBondContact O-N 3.39Å; D267-K270 IonicContact OD2-NZ 3.65Å; D267-K270 PolarHBondContact OD2-NZ 2.8Å; D267-V271 PolarHBondContact O-N 3.36Å; D267-F599 WeakPolarHBondContact OD1-CZ 3.42Å
268	L	93.8	Very high	94	Very high	23 Å²	23	50.6 Å²	50.6	12%	0.12	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-1.4	-173.2	-50	179.2	0	0	0	114.6	P266 V271 I282 F285 F599	P266-L268 HydrophobicContact CB-CD2 4.06Å; P266-L268 HydrophobicContact CG-CD2 3.97Å; P266-L268 PolarHBondContact O-N 3.35Å; L268-V271 HydrophobicContact CD2-CG2 4.29Å; L268-I282 HydrophobicContact CD1-CD1 3.85Å; L268-F285 HydrophobicContact CB-CE1 4.22Å; L268-F285 HydrophobicContact CB-CZ 4.04Å; L268-F599 HydrophobicContact CB-CD1 4.15Å; L268-F599 HydrophobicContact CB-CE1 3.59Å; L268-F599 HydrophobicContact CB-CE2 4.4Å; L268-F599 HydrophobicContact CB-CZ 3.71Å; L268-F599 HydrophobicContact CD1-CD1 3.89Å; L268-F599 HydrophobicContact CD1-CE1 4.21Å; L268-F599 HydrophobicContact CD1-CG 4.14Å; L268-F599 HydrophobicContact CG-CD1 4.17Å; L268-F599 HydrophobicContact CG-CD2 4.49Å; L268-F599 HydrophobicContact CG-CE1 4.05Å; L268-F599 HydrophobicContact CG-CE2 4.35Å; L268-F599 HydrophobicContact CG-CG 4.38Å; L268-F599 HydrophobicContact CG-CZ 4.12Å
269	N	92.6	Very high	94.1	Very high	94 Å²	94	49.3 Å²	49.3	50%	0.503	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-17.5	167.9	-54.2	-84.6	0	0	0	113.6	D267 F285 F599	D267-N269 PolarHBondContact O-N 2.88Å; D267-N269 WeakPolarHBondContact OD1-CB 3.27Å; D267-N269 PolarHBondContact OD1-N 3.26Å; D267-N269 VanDerWaalsContact OD1-N 3.12Å; D267-N269 PolarHBondContact OD1-ND2 3.3Å; N269-F285 WeakPolarHBondContact OD1-CE2 3.27Å; N269-F599 VanDerWaalsContact ND2-CZ 3.35Å; N269-F599 WeakPolarHBondContact ND2-CZ 3.04Å
270	K	93.3	Very high	94.2	Very high	163 Å²	163	42.1 Å²	42.1	71%	0.709	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.2	-7.4	-166.2	-57.4	-163.8	-176.4	83.7	0	114.6	D267	D267-K270 HydrophobicContact CB-CB 4.47Å; D267-K270 PolarHBondContact O-N 3.39Å; D267-K270 IonicContact OD2-NZ 3.65Å; D267-K270 PolarHBondContact OD2-NZ 2.8Å
271	V	92.8	Very high	94.4	Very high	35 Å²	35	46.9 Å²	46.9	21%	0.212	24%	0.242	C	C	.	.	S	Bend	trans	-102.3	151.9	-180	-61	0	0	0	0	111.6	P266 D267 L268 P273 N276	P266-V271 HydrophobicContact CB-CG1 4.19Å; P266-V271 HydrophobicContact CB-CG2 4.16Å; D267-V271 PolarHBondContact O-N 3.36Å; L268-V271 HydrophobicContact CD2-CG2 4.29Å; V271-P273 WeakPolarHBondContact O-CD 3.46Å; V271-N276 HydrophobicContact CB-CB 4Å; V271-N276 HydrophobicContact CG2-CB 3.46Å; V271-N276 VanDerWaalsContact CG2-CB 3.46Å
272	D	93.4	Very high	94.4	Very high	72 Å²	72	41.9 Å²	41.9	39%	0.385	22%	0.215	S	C	.	.			trans	-66.5	118.1	176.3	174	7.7	0	0	0	111.1	D274 R275 N276	D272-D274 VanDerWaalsContact C-N 3.27Å; D272-D274 PolarHBondContact O-N 3.28Å; D272-D274 WeakPolarHBondContact OD1-CB 3.4Å; D272-D274 PolarHBondContact OD1-N 3.49Å; D272-R275 HydrophobicContact CB-CB 4.33Å; D272-R275 HydrophobicContact CB-CG 4.49Å; D272-R275 PolarHBondContact O-N 2.88Å; D272-R275 VanDerWaalsContact O-N 3.09Å; D272-R275 WeakPolarHBondContact OD2-CD 3.46Å; D272-R275 VanDerWaalsContact OD2-CG 3.26Å; D272-R275 WeakPolarHBondContact OD2-CG 3.49Å; D272-N276 VanDerWaalsContact O-CB 3.3Å; D272-N276 WeakPolarHBondContact O-CB 3.17Å; D272-N276 PolarHBondContact O-N 3.15Å; D272-N276 PolarHBondContact O-ND2 3.25Å; D272-N276 VanDerWaalsContact O-ND2 3.1Å
273	P	92.4	Very high	94.1	Very high	63 Å²	63	46.3 Å²	46.3	41%	0.409	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.1	-178.8	30.9	-36.8	0	0	0	113.9	V271 R275 G290	V271-P273 WeakPolarHBondContact O-CD 3.46Å; P273-R275 PolarHBondContact O-N 2.97Å; P273-G290 WeakPolarHBondContact O-CA 3.11Å
274	D	92.4	Very high	93.8	Very high	49 Å²	49	54 Å²	54	26%	0.262	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-15.6	172.2	-86.9	15	0	0	0	112	D272 Y277 K291 R293	D272-D274 VanDerWaalsContact C-N 3.27Å; D272-D274 PolarHBondContact O-N 3.28Å; D272-D274 WeakPolarHBondContact OD1-CB 3.4Å; D272-D274 PolarHBondContact OD1-N 3.49Å; D274-Y277 VanDerWaalsContact O-CE2 3.28Å; D274-Y277 WeakPolarHBondContact O-CE2 3.44Å; D274-Y277 PolarHBondContact O-OH 3.41Å; D274-Y277 VanDerWaalsContact O-OH 3.12Å; D274-K291 HydrophobicContact CB-CB 4.4Å; D274-K291 WeakPolarHBondContact OD1-CB 3.46Å; D274-K291 PolarHBondContact OD1-N 2.88Å; D274-K291 WeakPolarHBondContact OD2-CB 3.36Å; D274-K291 VanDerWaalsContact OD2-CD 3.27Å; D274-K291 WeakPolarHBondContact OD2-CD 3.44Å; D274-R293 PolarHBondContact O-NE 3.04Å; D274-R293 PolarHBondContact O-NH2 2.71Å
275	R	93.6	Very high	93.6	Very high	82 Å²	82	56.2 Å²	56.2	31%	0.309	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-21.4	-179.6	-63.3	176.5	69.2	-154.9	-7.1	113.1	D272 P273 D408 E410 S411	D272-R275 HydrophobicContact CB-CB 4.33Å; D272-R275 HydrophobicContact CB-CG 4.49Å; D272-R275 PolarHBondContact O-N 2.88Å; D272-R275 VanDerWaalsContact O-N 3.09Å; D272-R275 WeakPolarHBondContact OD2-CD 3.46Å; D272-R275 VanDerWaalsContact OD2-CG 3.26Å; D272-R275 WeakPolarHBondContact OD2-CG 3.49Å; P273-R275 PolarHBondContact O-N 2.97Å; R275-D408 WeakPolarHBondContact CG-O 3.29Å; R275-D408 PolarHBondContact NE-O 3Å; R275-E410 HydrophobicContact CB-CG 4.34Å; R275-E410 VanDerWaalsContact CZ-CD 3.49Å; R275-E410 IonicContact CZ-OE1 3.91Å; R275-E410 IonicContact CZ-OE2 3.75Å; R275-E410 IonicContact NH1-OE1 4Å; R275-E410 PolarHBondContact NH1-OE1 2.79Å; R275-E410 IonicContact NH2-OE1 2.76Å; R275-E410 PolarHBondContact NH2-OE1 2.98Å; R275-E410 PolarHBondContact O-N 2.81Å; R275-S411 PolarHBondContact O-N 3.11Å
276	N	95.3	Very high	93.2	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.027	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	83.1	-174.3	-68.6	-91.3	0	0	0	110.4	V271 D272 E410 S411	V271-N276 HydrophobicContact CB-CB 4Å; V271-N276 HydrophobicContact CG2-CB 3.46Å; V271-N276 VanDerWaalsContact CG2-CB 3.46Å; D272-N276 VanDerWaalsContact O-CB 3.3Å; D272-N276 WeakPolarHBondContact O-CB 3.17Å; D272-N276 PolarHBondContact O-N 3.15Å; D272-N276 PolarHBondContact O-ND2 3.25Å; D272-N276 VanDerWaalsContact O-ND2 3.1Å; N276-E410 PolarHBondContact ND2-OE2 3.09Å; N276-S411 WeakPolarHBondContact CA-OG 3.16Å; N276-S411 VanDerWaalsContact CB-OG 3.23Å; N276-S411 WeakPolarHBondContact CB-OG 3.27Å; N276-S411 VanDerWaalsContact CG-OG 3.3Å; N276-S411 WeakPolarHBondContact OD1-CB 3.49Å; N276-S411 PolarHBondContact OD1-OG 2.93Å
277	Y	96.2	Very high	92.7	Very high	7 Å²	7	62.2 Å²	62.2	3%	0.027	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	136.3	-170.5	-72.9	-85.8	0	0	0	112.6	D274 Y279 K291 R293 Y403 V409 S411 A412 T413	D274-Y277 VanDerWaalsContact O-CE2 3.28Å; D274-Y277 WeakPolarHBondContact O-CE2 3.44Å; D274-Y277 PolarHBondContact O-OH 3.41Å; D274-Y277 VanDerWaalsContact O-OH 3.12Å; Y277-Y279 VanDerWaalsContact CB-CZ 3.43Å; Y277-Y279 VanDerWaalsContact CB-OH 3.3Å; Y277-Y279 WeakPolarHBondContact CB-OH 3.36Å; Y277-Y279 HydrophobicContact CD1-CE1 4.34Å; Y277-Y279 HydrophobicContact CG-CE1 4.37Å; Y277-K291 WeakPolarHBondContact CE1-O 3.24Å; Y277-K291 PolarHBondContact OH-O 2.92Å; Y277-R293 WeakPolarHBondContact OH-CD 3.49Å; Y277-R293 WeakPolarHBondContact OH-CG 3.36Å; Y277-R293 PolarHBondContact OH-NE 3.38Å; Y277-Y403 AromaticContact CD1-CD2 3.69Å; Y277-Y403 HydrophobicContact CD1-CD2 3.69Å; Y277-Y403 AromaticContact CD1-CE2 3.92Å; Y277-Y403 HydrophobicContact CD1-CE2 3.92Å; Y277-Y403 AromaticContact CD2-CD2 3.81Å; Y277-Y403 HydrophobicContact CD2-CD2 3.81Å; Y277-Y403 HydrophobicContact CD2-CG 4.46Å; Y277-Y403 AromaticContact CE1-CD2 3.53Å; Y277-Y403 HydrophobicContact CE1-CD2 3.53Å; Y277-Y403 AromaticContact CE1-CE2 3.47Å; Y277-Y403 HydrophobicContact CE1-CE2 3.47Å; Y277-Y403 VanDerWaalsContact CE1-CE2 3.47Å; Y277-Y403 AromaticContact CE2-CD2 3.65Å; Y277-Y403 HydrophobicContact CE2-CD2 3.65Å; Y277-Y403 HydrophobicContact CE2-CE2 4.32Å; Y277-Y403 HydrophobicContact CE2-CG 4.23Å; Y277-Y403 AromaticContact CG-CD2 3.84Å; Y277-Y403 HydrophobicContact CG-CD2 3.84Å; Y277-Y403 AromaticContact CZ-CD2 3.5Å; Y277-Y403 AromaticContact CZ-CE2 3.7Å; Y277-V409 HydrophobicContact CD2-CG1 4.12Å; Y277-V409 HydrophobicContact CE2-CG1 4.38Å; Y277-V409 HydrophobicContact CE2-CG2 4.28Å; Y277-S411 PolarHBondContact N-O 2.81Å; Y277-A412 CarbonylContact O-C 3.45Å; Y277-A412 VanDerWaalsContact O-CA 3.3Å; Y277-A412 WeakPolarHBondContact O-CA 3.29Å; Y277-T413 PolarHBondContact O-N 3.06Å
278	R	96	Very high	92	Very high	23 Å²	23	64.4 Å²	64.4	9%	0.087	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125.9	168.2	168.4	176.6	49.8	109.4	2.9	109.4	C280 P286 A287 S288	R278-C280 WeakPolarHBondContact CD-O 3.28Å; R278-C280 VanDerWaalsContact CG-O 3.24Å; R278-C280 WeakPolarHBondContact CG-O 3.49Å; R278-P286 VanDerWaalsContact CZ-O 3.23Å; R278-P286 PolarHBondContact NH1-O 2.91Å; R278-P286 PolarHBondContact NH2-O 2.94Å; R278-A287 PolarHBondContact NH2-O 2.7Å; R278-S288 WeakPolarHBondContact O-CB 3.26Å; R278-S288 PolarHBondContact O-OG 3.39Å; R278-S288 VanDerWaalsContact O-OG 3.07Å
279	Y	95.6	Very high	90.8	Very high	33 Å²	33	71.2 Å²	71.2	13%	0.129	39%	0.391	C	S	.	.			trans	-107.2	-7.2	-177.7	-52.1	-69.6	0	0	0	113.1	Y277 P399 I402 Y403 A412 T413 L414 Q418	Y277-Y279 VanDerWaalsContact CB-CZ 3.43Å; Y277-Y279 VanDerWaalsContact CB-OH 3.3Å; Y277-Y279 WeakPolarHBondContact CB-OH 3.36Å; Y277-Y279 HydrophobicContact CD1-CE1 4.34Å; Y277-Y279 HydrophobicContact CG-CE1 4.37Å; Y279-P399 HydrophobicContact CD1-CB 4Å; Y279-P399 HydrophobicContact CD1-CG 3.52Å; Y279-P399 HydrophobicContact CE1-CG 4.19Å; Y279-P399 HydrophobicContact CG-CG 3.87Å; Y279-I402 HydrophobicContact CE2-CG2 4.27Å; Y279-Y403 HydrophobicContact CE1-CD2 4.47Å; Y279-Y403 WeakPolarHBondContact OH-CD2 3.34Å; Y279-Y403 PolarHBondContact OH-N 3.43Å; Y279-A412 HydrophobicContact CE2-CB 3.91Å; Y279-T413 PolarHBondContact N-O 3.46Å; Y279-L414 HydrophobicContact CD2-CD1 4.22Å; Y279-L414 HydrophobicContact CD2-CG 4.02Å; Y279-Q418 PolarHBondContact O-NE2 2.66Å
280	C	95	Very high	90	Very high	10 Å²	10	67.8 Å²	67.8	7%	0.068	38%	0.378	C	S	.	.	S	Bend	trans	-105.7	148.5	176.8	56.8	0	0	0	0	113.2	R278	R278-C280 WeakPolarHBondContact CD-O 3.28Å; R278-C280 VanDerWaalsContact CG-O 3.24Å; R278-C280 WeakPolarHBondContact CG-O 3.49Å
281	T	93.3	Very high	89.7	Confident	135 Å²	135	66.6 Å²	66.6	83%	0.828	37%	0.373	S	S	*	.			trans	-68.1	137.3	162.6	-52.9	0	0	0	0	109.3
282	I	92.5	Very high	89.3	Confident	6 Å²	6	70.7 Å²	70.7	3%	0.031	39%	0.393	C	S	.	.			trans	-118.8	130	171.7	-66.4	172.6	0	0	0	106.4	L268 N284 F285 F599	L268-I282 HydrophobicContact CD1-CD1 3.85Å; I282-N284 PolarHBondContact O-N 2.94Å; I282-F285 HydrophobicContact CB-CB 3.88Å; I282-F285 HydrophobicContact CG2-CB 3.79Å; I282-F285 PolarHBondContact O-N 3.31Å; I282-F599 HydrophobicContact CD1-CB 3.84Å; I282-F599 HydrophobicContact CD1-CD1 4.1Å; I282-F599 HydrophobicContact CD1-CG 4.4Å
283	P	90.2	Very high	89	Confident	107 Å²	107	69.1 Å²	69.1	70%	0.695	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	135.9	177.9	-26.4	35.2	0	0	0	112.2	F285	P283-F285 PolarHBondContact O-N 3.36Å
284	N	88.4	Confident	88.3	Confident	177 Å²	177	72.6 Å²	72.6	95%	0.947	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	13.3	179.4	-51.1	-38.9	0	0	0	115.9	I282	I282-N284 PolarHBondContact O-N 2.94Å
285	F	90.3	Very high	87.6	Confident	47 Å²	47	72.8 Å²	72.8	21%	0.206	39%	0.394	C	S	.	.	S	Bend	trans	-108.9	143.4	173.6	-156.6	-96.6	0	0	0	110.6	L268 N269 I282 P283 F599	L268-F285 HydrophobicContact CB-CE1 4.22Å; L268-F285 HydrophobicContact CB-CZ 4.04Å; N269-F285 WeakPolarHBondContact OD1-CE2 3.27Å; I282-F285 HydrophobicContact CB-CB 3.88Å; I282-F285 HydrophobicContact CG2-CB 3.79Å; I282-F285 PolarHBondContact O-N 3.31Å; P283-F285 PolarHBondContact O-N 3.36Å; F285-F599 HydrophobicContact CD2-CD1 4.4Å; F285-F599 HydrophobicContact CD2-CE1 4.07Å; F285-F599 HydrophobicContact CE2-CD1 4.41Å; F285-F599 AromaticContact CE2-CE1 3.67Å; F285-F599 HydrophobicContact CE2-CE1 3.67Å; F285-F599 HydrophobicContact CZ-CE1 4.03Å
286	P	88.7	Confident	86.6	Confident	90 Å²	90	73.5 Å²	73.5	58%	0.584	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-54.2	161.1	179.1	-28.6	35.9	0	0	0	114.3	R278	R278-P286 VanDerWaalsContact CZ-O 3.23Å; R278-P286 PolarHBondContact NH1-O 2.91Å; R278-P286 PolarHBondContact NH2-O 2.94Å
287	A	85	Confident	85.5	Confident	81 Å²	81	82.8 Å²	82.8	67%	0.669	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-58	153.8	170	0	0	0	0	0	111.3	R278	R278-A287 PolarHBondContact NH2-O 2.7Å
288	S	80.4	Confident	84.4	Confident	50 Å²	50	92.2 Å²	92.2	35%	0.35	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-80.4	127.2	176.2	-168.3	0	0	0	0	110	R278	R278-S288 WeakPolarHBondContact O-CB 3.26Å; R278-S288 PolarHBondContact O-OG 3.39Å; R278-S288 VanDerWaalsContact O-OG 3.07Å
289	Q	69.5	Low	83.2	Confident	166 Å²	166	92.2 Å²	92.2	78%	0.776	48%	0.482	S	S	*	.			trans	-127.1	77.2	176.2	-67.2	-172.6	-3.9	0	0	108.9
290	G	76.9	Confident	82.1	Confident	23 Å²	23	94.4 Å²	94.4	24%	0.237	50%	0.5	C	S	.	.			trans	-108	138	168.5	0	0	0	0	0	110.1	P273	P273-G290 WeakPolarHBondContact O-CA 3.11Å
291	K	85.3	Confident	81.6	Confident	137 Å²	137	98.4 Å²	98.4	60%	0.596	52%	0.517	S	S	*	.			trans	-53.2	140.9	-179.1	175.7	177.5	178	-179.1	0	113	D274 Y277 R293	D274-K291 HydrophobicContact CB-CB 4.4Å; D274-K291 WeakPolarHBondContact OD1-CB 3.46Å; D274-K291 PolarHBondContact OD1-N 2.88Å; D274-K291 WeakPolarHBondContact OD2-CB 3.36Å; D274-K291 VanDerWaalsContact OD2-CD 3.27Å; D274-K291 WeakPolarHBondContact OD2-CD 3.44Å; Y277-K291 WeakPolarHBondContact CE1-O 3.24Å; Y277-K291 PolarHBondContact OH-O 2.92Å; K291-R293 PolarHBondContact O-N 3.22Å
292	L	85.9	Confident	81.3	Confident	122 Å²	122	93 Å²	93	64%	0.639	48%	0.482	S	S	*	.			trans	-70.8	128.2	171.4	-64.7	177.3	0	0	0	110.5	Y403	L292-Y403 WeakPolarHBondContact CA-OH 3.48Å
293	R	85.6	Confident	81.3	Confident	38 Å²	38	93.3 Å²	93.3	14%	0.143	49%	0.485	C	S	.	.			trans	-107.7	158.7	175.6	-62.6	170	176.3	-104.7	-1.9	110.2	D274 Y277 K291 R401 Y403 D408	D274-R293 PolarHBondContact O-NE 3.04Å; D274-R293 PolarHBondContact O-NH2 2.71Å; Y277-R293 WeakPolarHBondContact OH-CD 3.49Å; Y277-R293 WeakPolarHBondContact OH-CG 3.36Å; Y277-R293 PolarHBondContact OH-NE 3.38Å; K291-R293 PolarHBondContact O-N 3.22Å; R293-R401 PolarHBondContact O-NH1 2.79Å; R293-Y403 HydrophobicContact CB-CD1 4.07Å; R293-Y403 HydrophobicContact CB-CE1 3.61Å; R293-Y403 PolarHBondContact N-OH 3.08Å; R293-D408 IonicContact CZ-OD1 3.25Å; R293-D408 IonicContact CZ-OD2 2.67Å; R293-D408 VanDerWaalsContact CZ-OD2 3.25Å; R293-D408 IonicContact NH1-OD1 2.91Å; R293-D408 PolarHBondContact NH1-OD1 3.36Å; R293-D408 IonicContact NH1-OD2 3.98Å; R293-D408 PolarHBondContact NH1-OD2 2.97Å; R293-D408 IonicContact NH2-OD1 2.69Å; R293-D408 IonicContact NH2-OD2 3.83Å; R293-D408 PolarHBondContact NH2-OD2 3.08Å
294	E	78.9	Confident	81.3	Confident	136 Å²	136	88.8 Å²	88.8	64%	0.636	46%	0.455	S	S	*	.			trans	-126.7	152	179.3	-55	-125.3	112.8	0	0	110	N296 I302 R401	E294-N296 PolarHBondContact O-N 3.07Å; E294-I302 WeakPolarHBondContact O-CG2 3.38Å; E294-R401 IonicContact OE1-CZ 3.75Å; E294-R401 IonicContact OE1-NH1 2.8Å; E294-R401 PolarHBondContact OE1-NH1 3.39Å; E294-R401 IonicContact OE1-NH2 3.44Å
295	D	78.2	Confident	81.3	Confident	54 Å²	54	85.1 Å²	85.1	29%	0.289	44%	0.44	S	S	.	.			trans	-67.9	123.6	172.5	-78.9	-37.7	0	0	0	111.1	K301 I302 V303	D295-K301 HydrophobicContact CB-CD 4.06Å; D295-K301 WeakPolarHBondContact OD1-CA 3.28Å; D295-I302 PolarHBondContact OD1-N 3Å; D295-V303 PolarHBondContact OD1-N 2.96Å
296	N	70.9	Confident	81.1	Confident	97 Å²	97	83.2 Å²	83.2	52%	0.519	43%	0.432	S	S	.	.			trans	-59.1	140.5	165.3	-172.6	-14.9	0	0	0	109.8	E294 Y298 K301	E294-N296 PolarHBondContact O-N 3.07Å; N296-Y298 VanDerWaalsContact C-N 3.26Å; N296-Y298 PolarHBondContact O-N 2.69Å; N296-Y298 PolarHBondContact OD1-N 2.63Å; N296-K301 PolarHBondContact O-NZ 2.95Å
297	R	72.6	Confident	80.9	Confident	199 Å²	199	82.3 Å²	82.3	75%	0.751	42%	0.417	S	S	*	.	S	Bend	trans	-62.5	-33	174.2	-78.2	-169.5	-79.2	-168.7	-4.6	112.5
298	Y	74.3	Confident	81.2	Confident	206 Å²	206	79.1 Å²	79.1	81%	0.808	39%	0.388	S	S	*	.	S	Bend	trans	-120.2	7.1	-173.1	-53.1	-77.2	0	0	0	114	N296	N296-Y298 VanDerWaalsContact C-N 3.26Å; N296-Y298 PolarHBondContact O-N 2.69Å; N296-Y298 PolarHBondContact OD1-N 2.63Å
299	G	70.3	Confident	81.6	Confident	22 Å²	22	78.6 Å²	78.6	23%	0.227	38%	0.378	C	S	.	.	S	Bend	trans	-111	175.5	179.9	0	0	0	0	0	113.4
300	P	72.8	Confident	82.6	Confident	79 Å²	79	73.9 Å²	73.9	51%	0.513	36%	0.356	S	S	.	.			trans	-57.3	150.4	173.4	26.5	-35.1	0	0	0	111	I302	P300-I302 PolarHBondContact O-N 2.76Å
301	K	84	Confident	83	Confident	94 Å²	94	77.5 Å²	77.5	41%	0.409	37%	0.366	S	S	.	.			trans	-76.6	114.5	179.3	-62.7	-61.4	166.4	-149.7	0	110.1	D295 N296 R404	D295-K301 HydrophobicContact CB-CD 4.06Å; D295-K301 WeakPolarHBondContact OD1-CA 3.28Å; N296-K301 PolarHBondContact O-NZ 2.95Å; K301-R404 PolarHBondContact O-NH1 3.48Å
302	I	87.8	Confident	82.7	Confident	21 Å²	21	72 Å²	72	11%	0.108	34%	0.342	C	S	.	.			trans	-90.4	-25.9	-178.2	-162.5	163.9	0	0	0	110.6	E294 D295 P300 Y403 R404 V406 V409	E294-I302 WeakPolarHBondContact O-CG2 3.38Å; D295-I302 PolarHBondContact OD1-N 3Å; P300-I302 PolarHBondContact O-N 2.76Å; I302-Y403 HydrophobicContact CG1-CD1 4.45Å; I302-Y403 CarbonylContact O-C 3.51Å; I302-Y403 WeakPolarHBondContact O-CA 3.17Å; I302-R404 PolarHBondContact O-N 2.86Å; I302-V406 HydrophobicContact CB-CG2 3.97Å; I302-V406 HydrophobicContact CD1-CG2 4.5Å; I302-V406 HydrophobicContact CG1-CG2 3.84Å; I302-V409 HydrophobicContact CD1-CG2 3.84Å; I302-V409 HydrophobicContact CG1-CG2 4.2Å
303	V	90.8	Very high	82	Confident	13 Å²	13	68.3 Å²	68.3	8%	0.079	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-93.8	126.5	174.6	-168.8	0	0	0	0	110.3	D295 P305 R401 Y403	D295-V303 PolarHBondContact OD1-N 2.96Å; V303-P305 WeakPolarHBondContact O-CD 3.17Å; V303-R401 HydrophobicContact CG1-CB 4.32Å; V303-Y403 HydrophobicContact CG2-CD1 4.2Å; V303-Y403 HydrophobicContact CG2-CE1 3.99Å
304	L	91.1	Very high	81.4	Confident	12 Å²	12	75.3 Å²	75.3	6%	0.063	35%	0.354	C	S	.	.			trans	-64.5	127	173	-176.6	67.4	0	0	0	110.4	Q306 W308 I402 R404 L422 L549	L304-Q306 WeakPolarHBondContact O-CG 3.26Å; L304-Q306 PolarHBondContact O-N 3.49Å; L304-W308 HydrophobicContact CD2-CH2 4.46Å; L304-I402 HydrophobicContact CB-CB 4.11Å; L304-I402 HydrophobicContact CB-CG2 4.31Å; L304-I402 WeakPolarHBondContact CB-O 3.46Å; L304-I402 HydrophobicContact CD2-CB 4.3Å; L304-I402 HydrophobicContact CD2-CD1 4.28Å; L304-I402 HydrophobicContact CD2-CG2 4.11Å; L304-I402 PolarHBondContact N-O 2.79Å; L304-R404 HydrophobicContact CB-CG 4.29Å; L304-R404 HydrophobicContact CD1-CG 4.45Å; L304-L422 HydrophobicContact CD2-CD2 4.22Å; L304-L549 HydrophobicContact CD1-CB 4.05Å; L304-L549 WeakPolarHBondContact CD1-O 3.45Å; L304-L549 HydrophobicContact CD2-CB 4.37Å
305	P	87.2	Confident	81.4	Confident	100 Å²	100	71.5 Å²	71.5	65%	0.649	35%	0.351	S	S	*	.			trans	-63.5	103.8	-177.6	-26.8	36.8	0	0	0	114.5	V303 R307	V303-P305 WeakPolarHBondContact O-CD 3.17Å; P305-R307 PolarHBondContact O-N 3.24Å
306	Q	87.7	Confident	81.6	Confident	8 Å²	8	76.1 Å²	76.1	4%	0.037	36%	0.364	C	S	.	.			trans	-84.9	111.8	179.8	-52.6	-157.1	-0.9	0	0	112.5	L304 W308 R309 R318 P399 E400	L304-Q306 WeakPolarHBondContact O-CG 3.26Å; L304-Q306 PolarHBondContact O-N 3.49Å; Q306-W308 HydrophobicContact CB-CD2 4.07Å; Q306-W308 HydrophobicContact CB-CE3 4.4Å; Q306-W308 HydrophobicContact CB-CH2 4.11Å; Q306-W308 HydrophobicContact CB-CZ2 3.74Å; Q306-W308 HydrophobicContact CB-CZ3 4.42Å; Q306-W308 VanDerWaalsContact CD-CZ2 3.48Å; Q306-W308 HydrophobicContact CG-CH2 3.91Å; Q306-W308 HydrophobicContact CG-CZ2 3.4Å; Q306-W308 VanDerWaalsContact CG-CZ2 3.4Å; Q306-W308 VanDerWaalsContact OE1-NE1 3.1Å; Q306-R309 HydrophobicContact CB-CG 3.98Å; Q306-R318 PolarHBondContact O-NH2 2.85Å; Q306-P399 PolarHBondContact NE2-O 2.88Å; Q306-P399 PolarHBondContact OE1-O 3.25Å; Q306-E400 PolarHBondContact NE2-O 2.87Å; Q306-E400 VanDerWaalsContact NE2-O 3.15Å; Q306-E400 PolarHBondContact OE1-O 2.84Å
307	R	84.8	Confident	82.5	Confident	70 Å²	70	78.2 Å²	78.2	26%	0.264	37%	0.365	S	S	.	.	S	Bend	trans	-93.5	12.2	173.2	-71.3	174.4	76.8	-124.6	8.5	113.7	P305 M350 E352 F428	P305-R307 PolarHBondContact O-N 3.24Å; R307-M350 PolarHBondContact NH2-O 2.98Å; R307-M350 VanDerWaalsContact NH2-O 3.14Å; R307-E352 IonicContact CZ-OE1 3.47Å; R307-E352 IonicContact NE-OE1 2.82Å; R307-E352 VanDerWaalsContact NH2-CD 3.34Å; R307-E352 IonicContact NH2-OE1 3.65Å; R307-E352 PolarHBondContact NH2-OE1 3.04Å; R307-F428 PolarHBondContact NH1-O 3.23Å
308	W	90.5	Very high	83.1	Confident	14 Å²	14	72.3 Å²	72.3	5%	0.053	34%	0.342	C	S	.	.	S	Bend	trans	-118.2	26.9	-175.8	57.8	85.2	0	0	0	113.4	L304 Q306 A394 L398 I402 L422 R425	L304-W308 HydrophobicContact CD2-CH2 4.46Å; Q306-W308 HydrophobicContact CB-CD2 4.07Å; Q306-W308 HydrophobicContact CB-CE3 4.4Å; Q306-W308 HydrophobicContact CB-CH2 4.11Å; Q306-W308 HydrophobicContact CB-CZ2 3.74Å; Q306-W308 HydrophobicContact CB-CZ3 4.42Å; Q306-W308 VanDerWaalsContact CD-CZ2 3.48Å; Q306-W308 HydrophobicContact CG-CH2 3.91Å; Q306-W308 HydrophobicContact CG-CZ2 3.4Å; Q306-W308 VanDerWaalsContact CG-CZ2 3.4Å; Q306-W308 VanDerWaalsContact OE1-NE1 3.1Å; W308-A394 HydrophobicContact CB-CB 4.06Å; W308-A394 HydrophobicContact CD2-CB 4.26Å; W308-A394 HydrophobicContact CG-CB 3.83Å; W308-A394 PolarHBondContact NE1-O 2.59Å; W308-L398 HydrophobicContact CD2-CD1 4.38Å; W308-L398 HydrophobicContact CH2-CD1 4.42Å; W308-L398 HydrophobicContact CZ2-CD1 3.62Å; W308-I402 HydrophobicContact CZ2-CD1 4.19Å; W308-L422 HydrophobicContact CH2-CD2 3.69Å; W308-L422 HydrophobicContact CZ2-CD2 4.02Å; W308-L422 HydrophobicContact CZ3-CD2 4.46Å; W308-R425 HydrophobicContact CE3-CG 4.28Å
309	R	88.8	Confident	83.7	Confident	39 Å²	39	67.3 Å²	67.3	15%	0.147	33%	0.329	C	S	.	.			trans	-125.3	143.7	-177.4	-63.6	-68.3	175	-146	-7.6	110.9	Q306 F311 R318 Y321 E395 L398 P399	Q306-R309 HydrophobicContact CB-CG 3.98Å; R309-F311 VanDerWaalsContact C-N 3.28Å; R309-F311 WeakPolarHBondContact CB-O 3.3Å; R309-F311 PolarHBondContact O-N 3.19Å; R309-R318 WeakPolarHBondContact O-CD 3.37Å; R309-Y321 VanDerWaalsContact O-CB 3.23Å; R309-Y321 WeakPolarHBondContact O-CB 3.44Å; R309-E395 PolarHBondContact NH1-O 3.3Å; R309-L398 PolarHBondContact NH2-O 2.84Å; R309-P399 VanDerWaalsContact NH2-C 3.27Å; R309-P399 PolarHBondContact NH2-O 2.93Å
310	E	90.2	Very high	84.5	Confident	67 Å²	67	68.7 Å²	68.7	31%	0.313	34%	0.336	S	S	.	.	S	Bend	trans	-61.3	-38.2	168.9	177.2	168.1	-172.9	0	0	112.1	R317 R318 Y321 F322	E310-R317 HydrophobicContact CG-CG 4.32Å; E310-R317 CarbonylContact O-C 3.53Å; E310-R317 WeakPolarHBondContact O-CA 3.31Å; E310-R317 IonicContact OE1-NE 3.17Å; E310-R318 PolarHBondContact O-N 2.79Å; E310-Y321 VanDerWaalsContact CA-CD1 3.43Å; E310-Y321 HydrophobicContact CB-CD1 4.08Å; E310-Y321 HydrophobicContact CB-CE1 3.69Å; E310-Y321 HydrophobicContact CG-CE1 4.4Å; E310-F322 HydrophobicContact CB-CZ 4.48Å; E310-F322 HydrophobicContact CG-CE2 3.7Å; E310-F322 HydrophobicContact CG-CZ 3.73Å; E310-F322 VanDerWaalsContact OE1-CZ 3.28Å; E310-F322 WeakPolarHBondContact OE1-CZ 3.48Å
311	F	86.1	Confident	85.3	Confident	100 Å²	100	65.5 Å²	65.5	44%	0.439	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-112.4	158.8	-177.3	-58.6	-79	0	0	0	111.7	R309 G315 R316 R317 R318	R309-F311 VanDerWaalsContact C-N 3.28Å; R309-F311 WeakPolarHBondContact CB-O 3.3Å; R309-F311 PolarHBondContact O-N 3.19Å; F311-G315 WeakPolarHBondContact CD1-O 3.4Å; F311-R316 CarbonylContact C-O 3.57Å; F311-R316 VanDerWaalsContact CA-O 3.31Å; F311-R316 WeakPolarHBondContact CA-O 3.41Å; F311-R317 HydrophobicContact CD1-CB 4.33Å; F311-R317 HydrophobicContact CE1-CB 4.18Å; F311-R317 HydrophobicContact CE1-CG 4.43Å; F311-R318 PolarHBondContact O-NE 3.41Å; F311-R318 VanDerWaalsContact O-NE 3.11Å
312	D	78.9	Confident	85.6	Confident	20 Å²	20	64.4 Å²	64.4	11%	0.107	31%	0.309	C	S	.	.			trans	-87.8	174.8	163.6	81.3	-5.8	0	0	0	111.8	R314 G315 R316	D312-R314 PolarHBondContact O-N 3.26Å; D312-R314 WeakPolarHBondContact OD1-CA 3.46Å; D312-R314 WeakPolarHBondContact OD1-CB 3.45Å; D312-R314 PolarHBondContact OD1-N 2.87Å; D312-G315 PolarHBondContact O-N 3.16Å; D312-G315 PolarHBondContact OD1-N 3.46Å; D312-R316 PolarHBondContact N-O 3.2Å; D312-R316 WeakPolarHBondContact OD1-CB 3.4Å; D312-R316 PolarHBondContact OD1-N 2.9Å; D312-R316 IonicContact OD1-NE 3.17Å; D312-R316 IonicContact OD2-CZ 3.39Å; D312-R316 IonicContact OD2-NE 2.63Å; D312-R316 PolarHBondContact OD2-NE 3.37Å; D312-R316 IonicContact OD2-NH2 2.69Å; D312-R316 PolarHBondContact OD2-NH2 3.49Å
313	S	70.4	Confident	85.8	Confident	46 Å²	46	67.5 Å²	67.5	32%	0.322	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	0.4	178.6	47.5	0	0	0	0	114.4	R401	S313-R401 PolarHBondContact O-NH2 3.19Å
314	R	72.9	Confident	85.8	Confident	185 Å²	185	67.1 Å²	67.1	70%	0.698	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	13.9	173.3	-55.9	-178.3	178.9	179	1.1	112.2	D312 R316	D312-R314 PolarHBondContact O-N 3.26Å; D312-R314 WeakPolarHBondContact OD1-CA 3.46Å; D312-R314 WeakPolarHBondContact OD1-CB 3.45Å; D312-R314 PolarHBondContact OD1-N 2.87Å; R314-R316 VanDerWaalsContact C-N 3.27Å; R314-R316 HydrophobicContact CB-CG 4.37Å; R314-R316 PolarHBondContact O-N 2.67Å
315	G	78.9	Confident	86	Confident	55 Å²	55	69.3 Å²	69.3	57%	0.567	33%	0.326	S	S	*	.	S	Bend	trans	72.4	12.1	-179.4	0	0	0	0	0	114.9	F311 D312	F311-G315 WeakPolarHBondContact CD1-O 3.4Å; D312-G315 PolarHBondContact O-N 3.16Å; D312-G315 PolarHBondContact OD1-N 3.46Å
316	R	83.8	Confident	86.3	Confident	151 Å²	151	72.8 Å²	72.8	57%	0.57	33%	0.326	S	S	*	.			trans	-85.6	130.8	179.9	-55.4	-178.4	-62.1	163.4	5	110.3	F311 D312 R314	F311-R316 CarbonylContact C-O 3.57Å; F311-R316 VanDerWaalsContact CA-O 3.31Å; F311-R316 WeakPolarHBondContact CA-O 3.41Å; D312-R316 PolarHBondContact N-O 3.2Å; D312-R316 WeakPolarHBondContact OD1-CB 3.4Å; D312-R316 PolarHBondContact OD1-N 2.9Å; D312-R316 IonicContact OD1-NE 3.17Å; D312-R316 IonicContact OD2-CZ 3.39Å; D312-R316 IonicContact OD2-NE 2.63Å; D312-R316 PolarHBondContact OD2-NE 3.37Å; D312-R316 IonicContact OD2-NH2 2.69Å; D312-R316 PolarHBondContact OD2-NH2 3.49Å; R314-R316 VanDerWaalsContact C-N 3.27Å; R314-R316 HydrophobicContact CB-CG 4.37Å; R314-R316 PolarHBondContact O-N 2.67Å
317	R	88.3	Confident	86.7	Confident	142 Å²	142	75.4 Å²	75.4	54%	0.536	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-61.3	141	178.6	-164.1	-176.7	-166.1	-129	11.6	111.6	E310 F311 D319 F322	E310-R317 HydrophobicContact CG-CG 4.32Å; E310-R317 CarbonylContact O-C 3.53Å; E310-R317 WeakPolarHBondContact O-CA 3.31Å; E310-R317 IonicContact OE1-NE 3.17Å; F311-R317 HydrophobicContact CD1-CB 4.33Å; F311-R317 HydrophobicContact CE1-CB 4.18Å; F311-R317 HydrophobicContact CE1-CG 4.43Å; R317-D319 IonicContact CZ-OD1 2.68Å; R317-D319 IonicContact NE-OD1 2.69Å; R317-D319 IonicContact NH1-OD1 3.68Å; R317-D319 PolarHBondContact NH1-OD1 3.42Å; R317-F322 HydrophobicContact CG-CE2 4.25Å
318	R	86.8	Confident	87.2	Confident	74 Å²	74	72.2 Å²	72.2	28%	0.279	33%	0.326	S	S	.	.			trans	-111.5	92.7	177	-58.3	-174.4	-168.2	-102.2	19.1	110.1	Q306 R309 E310 F311 S320 Y321	Q306-R318 PolarHBondContact O-NH2 2.85Å; R309-R318 WeakPolarHBondContact O-CD 3.37Å; E310-R318 PolarHBondContact O-N 2.79Å; F311-R318 PolarHBondContact O-NE 3.41Å; F311-R318 VanDerWaalsContact O-NE 3.11Å; R318-S320 PolarHBondContact O-N 2.83Å; R318-Y321 WeakPolarHBondContact O-CB 3.5Å; R318-Y321 PolarHBondContact O-N 3.25Å
319	D	86.5	Confident	87.5	Confident	101 Å²	101	73.7 Å²	73.7	54%	0.54	34%	0.335	S	S	.	.	H	α-helix	trans	-62.8	-27.3	179.7	-62.2	-41.7	0	0	0	112.9	R317 Y321 F322 Y323	R317-D319 IonicContact CZ-OD1 2.68Å; R317-D319 IonicContact NE-OD1 2.69Å; R317-D319 IonicContact NH1-OD1 3.68Å; R317-D319 PolarHBondContact NH1-OD1 3.42Å; D319-Y321 VanDerWaalsContact C-N 3.33Å; D319-Y321 PolarHBondContact O-N 2.66Å; D319-F322 PolarHBondContact O-N 2.6Å; D319-Y323 PolarHBondContact O-N 3.07Å
320	S	86.3	Confident	87.8	Confident	52 Å²	52	73.4 Å²	73.4	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-63.5	-32.6	173	57.3	0	0	0	0	113.4	R318 F322 Y323 F324	R318-S320 PolarHBondContact O-N 2.83Å; S320-F322 PolarHBondContact O-N 2.78Å; S320-Y323 WeakPolarHBondContact O-CB 3.34Å; S320-Y323 PolarHBondContact O-N 3.29Å; S320-F324 WeakPolarHBondContact O-CD2 3.28Å; S320-F324 WeakPolarHBondContact O-CE2 3.28Å; S320-F324 VanDerWaalsContact O-CG 3.28Å; S320-F324 WeakPolarHBondContact O-CG 2.98Å; S320-F324 PolarHBondContact O-N 3.36Å
321	Y	89.8	Confident	88.1	Confident	11 Å²	11	70.4 Å²	70.4	4%	0.043	33%	0.33	C	S	.	.	H	α-helix	trans	-62.8	-41.2	174.8	144.9	-88.7	0	0	0	111.7	R309 E310 R318 D319 Y323 F324 K325 E395	R309-Y321 VanDerWaalsContact O-CB 3.23Å; R309-Y321 WeakPolarHBondContact O-CB 3.44Å; E310-Y321 VanDerWaalsContact CA-CD1 3.43Å; E310-Y321 HydrophobicContact CB-CD1 4.08Å; E310-Y321 HydrophobicContact CB-CE1 3.69Å; E310-Y321 HydrophobicContact CG-CE1 4.4Å; R318-Y321 WeakPolarHBondContact O-CB 3.5Å; R318-Y321 PolarHBondContact O-N 3.25Å; D319-Y321 VanDerWaalsContact C-N 3.33Å; D319-Y321 PolarHBondContact O-N 2.66Å; Y321-Y323 VanDerWaalsContact C-N 3.31Å; Y321-Y323 PolarHBondContact O-N 2.93Å; Y321-F324 PolarHBondContact O-N 3.18Å; Y321-K325 HydrophobicContact CE1-CD 4.48Å; Y321-K325 HydrophobicContact CE2-CD 4Å; Y321-K325 WeakPolarHBondContact O-CB 3.25Å; Y321-K325 PolarHBondContact O-N 3.36Å; Y321-K325 WeakPolarHBondContact OH-CD 3.39Å; Y321-K325 PolarHBondContact OH-NZ 2.84Å; Y321-E395 PolarHBondContact OH-OE1 3.35Å; Y321-E395 PolarHBondContact OH-OE2 3.21Å
322	F	90.9	Very high	88.6	Confident	72 Å²	72	67.4 Å²	67.4	32%	0.316	32%	0.318	S	S	.	.	H	α-helix	trans	-63.9	-38.1	175.6	-74	-77.5	0	0	0	112	E310 R317 D319 S320 R326	E310-F322 HydrophobicContact CB-CZ 4.48Å; E310-F322 HydrophobicContact CG-CE2 3.7Å; E310-F322 HydrophobicContact CG-CZ 3.73Å; E310-F322 VanDerWaalsContact OE1-CZ 3.28Å; E310-F322 WeakPolarHBondContact OE1-CZ 3.48Å; R317-F322 HydrophobicContact CG-CE2 4.25Å; D319-F322 PolarHBondContact O-N 2.6Å; S320-F322 PolarHBondContact O-N 2.78Å; F322-R326 WeakPolarHBondContact O-CB 3.32Å; F322-R326 PolarHBondContact O-N 3.33Å
323	Y	91.3	Very high	89.4	Confident	86 Å²	86	75 Å²	75	34%	0.337	35%	0.35	S	S	.	.	H	α-helix	trans	-60	-49.4	173.3	177.7	-95.2	0	0	0	111.5	D319 S320 Y321 R326 K327 N349	D319-Y323 PolarHBondContact O-N 3.07Å; S320-Y323 WeakPolarHBondContact O-CB 3.34Å; S320-Y323 PolarHBondContact O-N 3.29Å; Y321-Y323 VanDerWaalsContact C-N 3.31Å; Y321-Y323 PolarHBondContact O-N 2.93Å; Y323-R326 PolarHBondContact O-N 3.1Å; Y323-K327 HydrophobicContact CD1-CG 4.45Å; Y323-K327 HydrophobicContact CE1-CG 4.16Å; Y323-K327 VanDerWaalsContact CZ-CE 3.44Å; Y323-K327 VanDerWaalsContact O-CG 3.31Å; Y323-K327 WeakPolarHBondContact O-CG 3.19Å; Y323-K327 PolarHBondContact O-N 3.09Å; Y323-K327 VanDerWaalsContact OH-CE 3.27Å; Y323-K327 WeakPolarHBondContact OH-CE 3.46Å; Y323-K327 PolarHBondContact OH-NZ 3.05Å; Y323-N349 PolarHBondContact OH-OD1 3.15Å
324	F	91.8	Very high	90.5	Very high	4 Å²	4	74.5 Å²	74.5	2%	0.018	35%	0.346	C	S	.	.	H	α-helix	trans	-64.5	-43.9	177.9	-59.1	-41.5	0	0	0	113.1	S320 Y321 R326 K327 L328 M350 E352	S320-F324 WeakPolarHBondContact O-CD2 3.28Å; S320-F324 WeakPolarHBondContact O-CE2 3.28Å; S320-F324 VanDerWaalsContact O-CG 3.28Å; S320-F324 WeakPolarHBondContact O-CG 2.98Å; S320-F324 PolarHBondContact O-N 3.36Å; Y321-F324 PolarHBondContact O-N 3.18Å; F324-R326 VanDerWaalsContact C-N 3.33Å; F324-R326 PolarHBondContact O-N 2.86Å; F324-K327 PolarHBondContact O-N 3.28Å; F324-K327 VanDerWaalsContact O-N 3.08Å; F324-L328 PolarHBondContact O-N 3.3Å; F324-M350 HydrophobicContact CB-CE 3.88Å; F324-M350 HydrophobicContact CB-SD 3.61Å; F324-M350 HydrophobicContact CD1-CE 4.45Å; F324-M350 HydrophobicContact CD1-SD 3.67Å; F324-M350 HydrophobicContact CG-CE 4.28Å; F324-M350 HydrophobicContact CG-SD 3.94Å; F324-E352 HydrophobicContact CE1-CG 3.92Å; F324-E352 HydrophobicContact CZ-CG 3.52Å
325	K	93.9	Very high	91.5	Very high	59 Å²	59	67.2 Å²	67.2	26%	0.257	32%	0.319	S	S	.	.	H	α-helix	trans	-57.8	-46.2	176.4	-174.9	163.3	179.7	168.2	0	111	Y321 K327 L328 D329 E395	Y321-K325 HydrophobicContact CE1-CD 4.48Å; Y321-K325 HydrophobicContact CE2-CD 4Å; Y321-K325 WeakPolarHBondContact O-CB 3.25Å; Y321-K325 PolarHBondContact O-N 3.36Å; Y321-K325 WeakPolarHBondContact OH-CD 3.39Å; Y321-K325 PolarHBondContact OH-NZ 2.84Å; K325-K327 VanDerWaalsContact C-N 3.33Å; K325-K327 PolarHBondContact O-N 2.89Å; K325-L328 PolarHBondContact O-N 3.48Å; K325-D329 WeakPolarHBondContact O-CB 3.45Å; K325-D329 PolarHBondContact O-N 2.77Å; K325-E395 WeakPolarHBondContact CD-OE2 3.4Å; K325-E395 WeakPolarHBondContact CE-OE2 3.44Å; K325-E395 IonicContact NZ-OE1 2.69Å; K325-E395 PolarHBondContact NZ-OE1 2.92Å; K325-E395 IonicContact NZ-OE2 3.74Å; K325-E395 PolarHBondContact NZ-OE2 3.35Å
326	R	94.8	Very high	92	Very high	172 Å²	172	69.3 Å²	69.3	65%	0.649	31%	0.313	S	S	*	.	H	α-helix	trans	-63	-33.4	174.4	-173.9	176.5	64.1	156	-0.9	113.4	F322 Y323 F324 G330	F322-R326 WeakPolarHBondContact O-CB 3.32Å; F322-R326 PolarHBondContact O-N 3.33Å; Y323-R326 PolarHBondContact O-N 3.1Å; F324-R326 VanDerWaalsContact C-N 3.33Å; F324-R326 PolarHBondContact O-N 2.86Å; R326-G330 PolarHBondContact O-N 3.21Å
327	K	95.1	Very high	91.9	Very high	63 Å²	63	67.7 Å²	67.7	27%	0.274	32%	0.32	S	S	.	.	H	α-helix	trans	-72	-43.1	176.9	-69.5	-78.7	173.6	159.9	0	111.7	Y323 F324 K325 G330 Y331 L346 N349 M350	Y323-K327 HydrophobicContact CD1-CG 4.45Å; Y323-K327 HydrophobicContact CE1-CG 4.16Å; Y323-K327 VanDerWaalsContact CZ-CE 3.44Å; Y323-K327 VanDerWaalsContact O-CG 3.31Å; Y323-K327 WeakPolarHBondContact O-CG 3.19Å; Y323-K327 PolarHBondContact O-N 3.09Å; Y323-K327 VanDerWaalsContact OH-CE 3.27Å; Y323-K327 WeakPolarHBondContact OH-CE 3.46Å; Y323-K327 PolarHBondContact OH-NZ 3.05Å; F324-K327 PolarHBondContact O-N 3.28Å; F324-K327 VanDerWaalsContact O-N 3.08Å; K325-K327 VanDerWaalsContact C-N 3.33Å; K325-K327 PolarHBondContact O-N 2.89Å; K327-G330 PolarHBondContact O-N 3.12Å; K327-Y331 WeakPolarHBondContact O-CB 3.42Å; K327-Y331 PolarHBondContact O-N 3.32Å; K327-L346 HydrophobicContact CB-CD1 3.98Å; K327-N349 HydrophobicContact CD-CB 3.94Å; K327-N349 WeakPolarHBondContact CE-OD1 3.21Å; K327-N349 HydrophobicContact CG-CB 4.31Å; K327-N349 PolarHBondContact NZ-OD1 3.49Å; K327-M350 HydrophobicContact CB-SD 4.39Å
328	L	95.6	Very high	91.1	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-59.7	-49.1	171.5	-71.7	166.6	0	0	0	111.3	F324 K325 G330 Y331 L332 L346 M350 A388 F428	F324-L328 PolarHBondContact O-N 3.3Å; K325-L328 PolarHBondContact O-N 3.48Å; L328-G330 VanDerWaalsContact C-N 3.33Å; L328-G330 PolarHBondContact O-N 2.8Å; L328-Y331 PolarHBondContact O-N 3.01Å; L328-L332 WeakPolarHBondContact O-CB 3.31Å; L328-L332 WeakPolarHBondContact O-CG 3.27Å; L328-L332 PolarHBondContact O-N 2.68Å; L328-L346 HydrophobicContact CD2-CD1 4.32Å; L328-L346 HydrophobicContact CD2-CD2 4.09Å; L328-M350 HydrophobicContact CD1-CE 3.96Å; L328-M350 HydrophobicContact CD2-CE 4.32Å; L328-M350 HydrophobicContact CG-CE 4.05Å; L328-M350 HydrophobicContact CG-SD 4.25Å; L328-A388 HydrophobicContact CD2-CB 4.06Å; L328-F428 HydrophobicContact CD2-CE2 4.3Å; L328-F428 HydrophobicContact CD2-CZ 4.22Å
329	D	96	Very high	91	Very high	45 Å²	45	61.9 Å²	61.9	24%	0.241	31%	0.311	C	S	.	.	H	α-helix	trans	-65.9	-32.1	178.9	-76.4	-29.6	0	0	0	113.4	K325 K333 K392	K325-D329 WeakPolarHBondContact O-CB 3.45Å; K325-D329 PolarHBondContact O-N 2.77Å; D329-K333 WeakPolarHBondContact O-CD 3.45Å; D329-K333 VanDerWaalsContact O-CG 3.28Å; D329-K333 WeakPolarHBondContact O-CG 3.49Å; D329-K392 WeakPolarHBondContact OD1-CE 3.27Å; D329-K392 IonicContact OD1-NZ 3.67Å; D329-K392 PolarHBondContact OD1-NZ 2.89Å; D329-K392 IonicContact OD2-NZ 2.71Å
330	G	95.6	Very high	91.3	Very high	33 Å²	33	57.8 Å²	57.8	34%	0.34	29%	0.288	S	S	.	.	H	α-helix	trans	-66.9	-51.1	172.8	0	0	0	0	0	111.5	R326 K327 L328 L332 K333 C334	R326-G330 PolarHBondContact O-N 3.21Å; K327-G330 PolarHBondContact O-N 3.12Å; L328-G330 VanDerWaalsContact C-N 3.33Å; L328-G330 PolarHBondContact O-N 2.8Å; G330-L332 PolarHBondContact O-N 2.84Å; G330-K333 PolarHBondContact O-N 3.36Å; G330-C334 PolarHBondContact O-SG 2.7Å; G330-C334 VanDerWaalsContact O-SG 3.34Å
331	Y	96.9	Very high	91.6	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-57.3	-48.8	177.5	172.2	-105.7	0	0	0	112.2	K327 L328 K333 C334 Y335 M342 F343 L346 F384 A385 A388	K327-Y331 WeakPolarHBondContact O-CB 3.42Å; K327-Y331 PolarHBondContact O-N 3.32Å; L328-Y331 PolarHBondContact O-N 3.01Å; Y331-K333 PolarHBondContact O-N 2.91Å; Y331-K333 VanDerWaalsContact O-N 3.09Å; Y331-C334 PolarHBondContact O-N 2.95Å; Y331-Y335 WeakPolarHBondContact O-CB 3.24Å; Y331-Y335 PolarHBondContact O-N 3.04Å; Y331-M342 HydrophobicContact CD2-CB 3.92Å; Y331-M342 HydrophobicContact CE2-CB 3.93Å; Y331-F343 HydrophobicContact CE1-CD2 4.08Å; Y331-F343 HydrophobicContact CE2-CB 3.89Å; Y331-F343 HydrophobicContact CE2-CD2 4.2Å; Y331-F343 AromaticContact CZ-CD2 3.69Å; Y331-L346 HydrophobicContact CD1-CD2 3.59Å; Y331-L346 HydrophobicContact CD2-CB 4.36Å; Y331-L346 HydrophobicContact CD2-CD2 4.34Å; Y331-L346 HydrophobicContact CE1-CD2 4.13Å; Y331-L346 HydrophobicContact CG-CB 4.39Å; Y331-L346 HydrophobicContact CG-CD2 3.71Å; Y331-F384 VanDerWaalsContact OH-CB 3.22Å; Y331-F384 WeakPolarHBondContact OH-CB 3.4Å; Y331-A385 HydrophobicContact CE1-CB 4.42Å; Y331-A388 HydrophobicContact CD1-CB 3.77Å; Y331-A388 HydrophobicContact CE1-CB 3.79Å
332	L	96.4	Very high	91.7	Very high	38 Å²	38	65.2 Å²	65.2	20%	0.199	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-18.1	-178.2	-72	174.6	0	0	0	114.1	L328 G330 Y335 A385 A388 R389	L328-L332 WeakPolarHBondContact O-CB 3.31Å; L328-L332 WeakPolarHBondContact O-CG 3.27Å; L328-L332 PolarHBondContact O-N 2.68Å; G330-L332 PolarHBondContact O-N 2.84Å; L332-Y335 WeakPolarHBondContact O-CD1 3.32Å; L332-A385 HydrophobicContact CD2-CB 4.07Å; L332-A388 HydrophobicContact CD2-CB 3.89Å; L332-A388 HydrophobicContact CG-CB 4.25Å; L332-R389 HydrophobicContact CD1-CG 4.07Å; L332-R389 HydrophobicContact CD2-CG 3.82Å
333	K	95	Very high	91.9	Very high	178 Å²	178	61.8 Å²	61.8	77%	0.774	30%	0.301	S	S	*	.	H	α-helix	trans	-84.1	-19.7	174.1	-72	172.8	-170.6	-174.8	0	114.2	D329 G330 Y331	D329-K333 WeakPolarHBondContact O-CD 3.45Å; D329-K333 VanDerWaalsContact O-CG 3.28Å; D329-K333 WeakPolarHBondContact O-CG 3.49Å; G330-K333 PolarHBondContact O-N 3.36Å; Y331-K333 PolarHBondContact O-N 2.91Å; Y331-K333 VanDerWaalsContact O-N 3.09Å
334	C	93.6	Very high	92.1	Very high	36 Å²	36	58.6 Å²	58.6	24%	0.243	29%	0.291	C	S	.	.	H	α-helix	trans	-140.7	6.4	-170.5	67.9	0	0	0	0	116	G330 Y331 K336 T337 T338	G330-C334 PolarHBondContact O-SG 2.7Å; G330-C334 VanDerWaalsContact O-SG 3.34Å; Y331-C334 PolarHBondContact O-N 2.95Å; C334-K336 PolarHBondContact O-N 2.91Å; C334-K336 VanDerWaalsContact O-N 3.09Å; C334-T337 PolarHBondContact O-N 2.86Å; C334-T337 PolarHBondContact O-OG1 2.94Å; C334-T338 PolarHBondContact O-N 3.01Å; C334-T338 PolarHBondContact O-OG1 2.96Å
335	Y	94.4	Very high	92.1	Very high	32 Å²	32	59.5 Å²	59.5	13%	0.125	30%	0.302	C	S	.	.	H	α-helix	trans	-50.6	-36.9	-179.6	70.1	-79.4	0	0	0	113.9	Y331 L332 G339 L381 E382 A385	Y331-Y335 WeakPolarHBondContact O-CB 3.24Å; Y331-Y335 PolarHBondContact O-N 3.04Å; L332-Y335 WeakPolarHBondContact O-CD1 3.32Å; Y335-G339 PolarHBondContact O-N 2.69Å; Y335-G339 VanDerWaalsContact O-N 3.15Å; Y335-L381 HydrophobicContact CD2-CB 4.21Å; Y335-L381 WeakPolarHBondContact CD2-O 3.29Å; Y335-E382 HydrophobicContact CE2-CB 4.46Å; Y335-E382 PolarHBondContact OH-OE2 2.89Å; Y335-E382 VanDerWaalsContact OH-OE2 3.09Å; Y335-A385 HydrophobicContact CD1-CB 4.09Å; Y335-A385 HydrophobicContact CD2-CB 3.6Å; Y335-A385 HydrophobicContact CE1-CB 4.1Å; Y335-A385 HydrophobicContact CE2-CB 3.61Å; Y335-A385 HydrophobicContact CG-CB 3.87Å
336	K	89.6	Confident	92.2	Very high	100 Å²	100	57.1 Å²	57.1	44%	0.435	29%	0.291	S	S	.	.	H	α-helix	trans	-70	-37.2	175.5	-67.8	-157.2	169.1	-160.9	0	114.4	C334 E378	C334-K336 PolarHBondContact O-N 2.91Å; C334-K336 VanDerWaalsContact O-N 3.09Å; K336-E378 WeakPolarHBondContact CE-OE2 3.49Å; K336-E378 IonicContact NZ-OE2 2.68Å; K336-E378 PolarHBondContact NZ-OE2 2.94Å
337	T	82.4	Confident	92.2	Very high	117 Å²	117	48.9 Å²	48.9	72%	0.718	26%	0.26	S	S	*	.	H	α-helix	trans	-78.5	-22.6	-170.3	58.6	0	0	0	0	113.7	C334	C334-T337 PolarHBondContact O-N 2.86Å; C334-T337 PolarHBondContact O-OG1 2.94Å
338	T	69.9	Low	92	Very high	80 Å²	80	47 Å²	47	49%	0.491	25%	0.252	S	S	.	.	H	α-helix	trans	-129.8	-1	-171.9	29.8	0	0	0	0	113.7	C334 M342	C334-T338 PolarHBondContact O-N 3.01Å; C334-T338 PolarHBondContact O-OG1 2.96Å; T338-M342 VanDerWaalsContact CB-CG 3.47Å; T338-M342 WeakPolarHBondContact OG1-CG 3.49Å
339	G	85.1	Confident	91.8	Very high	14 Å²	14	49.3 Å²	49.3	14%	0.144	27%	0.265	C	S	.	.			trans	69.4	-155.7	158.8	0	0	0	0	0	116.1	Y335 F341 M342 L381	Y335-G339 PolarHBondContact O-N 2.69Å; Y335-G339 VanDerWaalsContact O-N 3.15Å; G339-F341 VanDerWaalsContact C-N 3.31Å; G339-F341 PolarHBondContact O-N 2.82Å; G339-F341 VanDerWaalsContact O-N 3.16Å; G339-M342 WeakPolarHBondContact O-CB 3.23Å; G339-M342 PolarHBondContact O-N 2.89Å; G339-L381 VanDerWaalsContact C-CD2 3.47Å
340	Y	92.8	Very high	91.6	Very high	14 Å²	14	47.2 Å²	47.2	6%	0.055	25%	0.254	C	S	.	.	H	α-helix	trans	-45.1	-49.4	-170.4	175.2	-108.1	0	0	0	114.2	M342 F343 V344 L364 E365 Y368 F384	Y340-M342 PolarHBondContact O-N 2.82Å; Y340-M342 VanDerWaalsContact O-N 3.14Å; Y340-F343 PolarHBondContact O-N 2.9Å; Y340-V344 HydrophobicContact CD1-CG2 4.08Å; Y340-V344 HydrophobicContact CE1-CG2 3.51Å; Y340-V344 HydrophobicContact CE2-CG2 4.09Å; Y340-V344 VanDerWaalsContact CZ-CG2 3.48Å; Y340-V344 PolarHBondContact O-N 2.87Å; Y340-L364 HydrophobicContact CE2-CD2 4.38Å; Y340-L364 HydrophobicContact CE2-CG 4.01Å; Y340-E365 HydrophobicContact CE1-CB 4.43Å; Y340-E365 HydrophobicContact CE1-CG 4.29Å; Y340-E365 VanDerWaalsContact OH-CA 3.26Å; Y340-E365 WeakPolarHBondContact OH-CA 3.49Å; Y340-E365 WeakPolarHBondContact OH-CB 3.27Å; Y340-E365 PolarHBondContact OH-N 3.05Å; Y340-E365 VanDerWaalsContact OH-N 3.13Å; Y340-Y368 AromaticContact CD2-CD1 3.68Å; Y340-Y368 HydrophobicContact CD2-CD1 3.68Å; Y340-Y368 AromaticContact CD2-CD2 3.77Å; Y340-Y368 HydrophobicContact CD2-CD2 3.77Å; Y340-Y368 HydrophobicContact CD2-CE1 4.33Å; Y340-Y368 HydrophobicContact CD2-CE2 4.41Å; Y340-Y368 AromaticContact CD2-CG 3.36Å; Y340-Y368 HydrophobicContact CD2-CG 3.36Å; Y340-Y368 HydrophobicContact CE2-CD1 4.36Å; Y340-Y368 AromaticContact CE2-CG 3.98Å; Y340-Y368 HydrophobicContact CE2-CG 3.98Å; Y340-Y368 AromaticContact CG-CD1 3.87Å; Y340-Y368 HydrophobicContact CG-CD1 3.87Å; Y340-Y368 HydrophobicContact CG-CD2 4.41Å; Y340-Y368 HydrophobicContact CG-CE1 4.15Å; Y340-Y368 HydrophobicContact CG-CG 4.01Å; Y340-F384 HydrophobicContact CD2-CE2 4.07Å
341	F	91.8	Very high	91.4	Very high	157 Å²	157	45.8 Å²	45.8	69%	0.689	24%	0.238	S	C	*	.	H	α-helix	trans	-64.4	-20.7	-174.9	-61.2	-69.8	0	0	0	113.7	G339 G345	G339-F341 VanDerWaalsContact C-N 3.31Å; G339-F341 PolarHBondContact O-N 2.82Å; G339-F341 VanDerWaalsContact O-N 3.16Å; F341-G345 PolarHBondContact O-N 2.8Å
342	M	92.9	Very high	90.7	Very high	62 Å²	62	49.7 Å²	49.7	31%	0.305	26%	0.256	S	S	.	.	H	α-helix	trans	-68.5	-33.4	171.5	-72.8	-60.6	-56.1	0	0	113	Y331 T338 G339 Y340 L346	Y331-M342 HydrophobicContact CD2-CB 3.92Å; Y331-M342 HydrophobicContact CE2-CB 3.93Å; T338-M342 VanDerWaalsContact CB-CG 3.47Å; T338-M342 WeakPolarHBondContact OG1-CG 3.49Å; G339-M342 WeakPolarHBondContact O-CB 3.23Å; G339-M342 PolarHBondContact O-N 2.89Å; Y340-M342 PolarHBondContact O-N 2.82Å; Y340-M342 VanDerWaalsContact O-N 3.14Å; M342-L346 WeakPolarHBondContact O-CB 3.12Å; M342-L346 PolarHBondContact O-N 2.9Å
343	F	95.8	Very high	89.5	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-77	-42	177.9	-172.1	-123.1	0	0	0	110.9	Y331 Y340 G345 L346 L347 L364 F384 F427 F428 F456	Y331-F343 HydrophobicContact CE1-CD2 4.08Å; Y331-F343 HydrophobicContact CE2-CB 3.89Å; Y331-F343 HydrophobicContact CE2-CD2 4.2Å; Y331-F343 AromaticContact CZ-CD2 3.69Å; Y340-F343 PolarHBondContact O-N 2.9Å; F343-G345 VanDerWaalsContact C-N 3.32Å; F343-G345 PolarHBondContact O-N 3.48Å; F343-L346 HydrophobicContact CD2-CD2 4.26Å; F343-L346 HydrophobicContact CE2-CD2 4.45Å; F343-L346 WeakPolarHBondContact O-CB 3.4Å; F343-L346 PolarHBondContact O-N 3.14Å; F343-L347 HydrophobicContact CD1-CD1 4.15Å; F343-L347 HydrophobicContact CE1-CD1 3.97Å; F343-L347 HydrophobicContact CZ-CD1 4.36Å; F343-L347 HydrophobicContact CZ-CD2 4.41Å; F343-L347 HydrophobicContact CZ-CG 4.48Å; F343-L347 WeakPolarHBondContact O-CG 3.12Å; F343-L347 PolarHBondContact O-N 2.91Å; F343-L364 HydrophobicContact CD1-CD1 4.45Å; F343-L364 HydrophobicContact CD1-CD2 4.02Å; F343-L364 HydrophobicContact CE1-CD1 4.22Å; F343-L364 HydrophobicContact CE1-CD2 4.19Å; F343-F384 HydrophobicContact CB-CB 4.37Å; F343-F384 HydrophobicContact CB-CD2 3.91Å; F343-F384 HydrophobicContact CB-CG 4.4Å; F343-F384 HydrophobicContact CD1-CB 3.87Å; F343-F384 AromaticContact CD1-CD1 3.94Å; F343-F384 HydrophobicContact CD1-CD1 3.94Å; F343-F384 AromaticContact CD1-CD2 3.61Å; F343-F384 HydrophobicContact CD1-CD2 3.61Å; F343-F384 HydrophobicContact CD1-CE1 4.37Å; F343-F384 HydrophobicContact CD1-CE2 4.07Å; F343-F384 AromaticContact CD1-CG 3.53Å; F343-F384 HydrophobicContact CD1-CG 3.53Å; F343-F384 HydrophobicContact CD1-CZ 4.43Å; F343-F384 HydrophobicContact CD2-CB 3.86Å; F343-F384 HydrophobicContact CD2-CG 4.45Å; F343-F384 HydrophobicContact CE1-CB 4.07Å; F343-F384 AromaticContact CE1-CD1 3.83Å; F343-F384 HydrophobicContact CE1-CD1 3.83Å; F343-F384 HydrophobicContact CE1-CD2 4.33Å; F343-F384 HydrophobicContact CE1-CE1 4.34Å; F343-F384 AromaticContact CE1-CG 3.82Å; F343-F384 HydrophobicContact CE1-CG 3.82Å; F343-F384 HydrophobicContact CE2-CB 4.06Å; F343-F384 HydrophobicContact CG-CB 3.77Å; F343-F384 AromaticContact CG-CD2 3.87Å; F343-F384 HydrophobicContact CG-CD2 3.87Å; F343-F384 AromaticContact CG-CG 3.89Å; F343-F384 HydrophobicContact CG-CG 3.89Å; F343-F384 HydrophobicContact CZ-CB 4.16Å; F343-F384 HydrophobicContact CZ-CD1 4.48Å; F343-F384 HydrophobicContact CZ-CG 4.4Å; F343-F427 HydrophobicContact CZ-CD1 4.18Å; F343-F427 HydrophobicContact CZ-CE1 4.5Å; F343-F428 HydrophobicContact CE2-CE1 4.49Å; F343-F428 HydrophobicContact CE2-CZ 4.28Å; F343-F456 HydrophobicContact CE1-CZ 4.46Å
344	V	94.7	Very high	88	Confident	19 Å²	19	45.9 Å²	45.9	12%	0.115	24%	0.242	C	C	.	.	H	α-helix	trans	-55.6	-48.4	169.1	179.7	0	0	0	0	110.7	Y340 L346 L347 H348 L361 L364	Y340-V344 HydrophobicContact CD1-CG2 4.08Å; Y340-V344 HydrophobicContact CE1-CG2 3.51Å; Y340-V344 HydrophobicContact CE2-CG2 4.09Å; Y340-V344 VanDerWaalsContact CZ-CG2 3.48Å; Y340-V344 PolarHBondContact O-N 2.87Å; V344-L346 PolarHBondContact O-N 2.8Å; V344-L347 PolarHBondContact O-N 3.36Å; V344-H348 PolarHBondContact O-N 3.21Å; V344-L361 HydrophobicContact CG1-CD1 4.07Å; V344-L361 HydrophobicContact CG2-CD1 4.37Å; V344-L364 HydrophobicContact CG2-CD2 4.4Å
345	G	92.6	Very high	86.5	Confident	24 Å²	24	49.1 Å²	49.1	25%	0.247	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-40.8	175.8	0	0	0	0	0	112.9	F341 F343 N349	F341-G345 PolarHBondContact O-N 2.8Å; F343-G345 VanDerWaalsContact C-N 3.32Å; F343-G345 PolarHBondContact O-N 3.48Å; G345-N349 WeakPolarHBondContact O-CB 3.14Å; G345-N349 PolarHBondContact O-N 2.92Å; G345-N349 PolarHBondContact O-ND2 3.28Å
346	L	94.6	Very high	85	Confident	8 Å²	8	53.9 Å²	53.9	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-49	173.5	174.9	66	0	0	0	111.1	K327 L328 Y331 M342 F343 V344 N349 M350 A388 F428	K327-L346 HydrophobicContact CB-CD1 3.98Å; L328-L346 HydrophobicContact CD2-CD1 4.32Å; L328-L346 HydrophobicContact CD2-CD2 4.09Å; Y331-L346 HydrophobicContact CD1-CD2 3.59Å; Y331-L346 HydrophobicContact CD2-CB 4.36Å; Y331-L346 HydrophobicContact CD2-CD2 4.34Å; Y331-L346 HydrophobicContact CE1-CD2 4.13Å; Y331-L346 HydrophobicContact CG-CB 4.39Å; Y331-L346 HydrophobicContact CG-CD2 3.71Å; M342-L346 WeakPolarHBondContact O-CB 3.12Å; M342-L346 PolarHBondContact O-N 2.9Å; F343-L346 HydrophobicContact CD2-CD2 4.26Å; F343-L346 HydrophobicContact CE2-CD2 4.45Å; F343-L346 WeakPolarHBondContact O-CB 3.4Å; F343-L346 PolarHBondContact O-N 3.14Å; V344-L346 PolarHBondContact O-N 2.8Å; L346-N349 PolarHBondContact O-N 3.42Å; L346-M350 HydrophobicContact CD1-CG 3.74Å; L346-M350 HydrophobicContact CD1-SD 4.22Å; L346-M350 HydrophobicContact CG-CG 4.15Å; L346-M350 WeakPolarHBondContact O-CB 3.44Å; L346-M350 WeakPolarHBondContact O-CG 3.47Å; L346-M350 PolarHBondContact O-N 3.41Å; L346-A388 HydrophobicContact CD2-CB 4.27Å; L346-F428 HydrophobicContact CD2-CE1 3.72Å; L346-F428 HydrophobicContact CD2-CZ 3.96Å; L346-F428 HydrophobicContact CG-CE1 3.89Å
347	L	95	Very high	83.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56	-54.6	179.4	-69.4	166.7	0	0	0	110.8	F343 V344 N349 M350 W351 L361 L364 F427 F428 L441	F343-L347 HydrophobicContact CD1-CD1 4.15Å; F343-L347 HydrophobicContact CE1-CD1 3.97Å; F343-L347 HydrophobicContact CZ-CD1 4.36Å; F343-L347 HydrophobicContact CZ-CD2 4.41Å; F343-L347 HydrophobicContact CZ-CG 4.48Å; F343-L347 WeakPolarHBondContact O-CG 3.12Å; F343-L347 PolarHBondContact O-N 2.91Å; V344-L347 PolarHBondContact O-N 3.36Å; L347-N349 VanDerWaalsContact C-N 3.29Å; L347-N349 PolarHBondContact O-N 2.98Å; L347-M350 PolarHBondContact O-N 3.31Å; L347-W351 HydrophobicContact CB-CD2 4.43Å; L347-W351 HydrophobicContact CB-CH2 4.12Å; L347-W351 HydrophobicContact CB-CZ2 3.89Å; L347-W351 HydrophobicContact CB-CZ3 4.49Å; L347-W351 HydrophobicContact CD2-CZ2 4.08Å; L347-W351 HydrophobicContact CG-CZ2 4.38Å; L347-W351 WeakPolarHBondContact O-CB 3.3Å; L347-W351 PolarHBondContact O-N 2.81Å; L347-L361 HydrophobicContact CD1-CD1 3.85Å; L347-L364 HydrophobicContact CD1-CD2 3.71Å; L347-F427 HydrophobicContact CD2-CB 4.23Å; L347-F427 HydrophobicContact CD2-CD1 4.28Å; L347-F427 VanDerWaalsContact CD2-O 3.29Å; L347-F427 WeakPolarHBondContact CD2-O 3.36Å; L347-F428 HydrophobicContact CD2-CD1 3.97Å; L347-F428 HydrophobicContact CD2-CE1 3.79Å; L347-L441 HydrophobicContact CD1-CD1 4.26Å
348	H	92.2	Very high	83.1	Confident	23 Å²	23	50 Å²	50	11%	0.106	27%	0.273	C	S	.	.	H	α-helix	trans	-54.8	-43.3	176.1	-63.9	170	0	0	0	112.1	V344 M350 W351 F353 Y359	V344-H348 PolarHBondContact O-N 3.21Å; H348-M350 VanDerWaalsContact C-N 3.34Å; H348-M350 PolarHBondContact O-N 3.27Å; H348-W351 AromaticContact CD2-CE3 3.86Å; H348-W351 AromaticContact CD2-CZ3 3.75Å; H348-W351 PolarHBondContact O-N 2.9Å; H348-F353 HydrophobicContact CB-CD1 4.21Å; H348-F353 HydrophobicContact CB-CG 4.37Å; H348-F353 WeakPolarHBondContact O-CB 3.15Å; H348-Y359 PolarHBondContact CE1-O 3.46Å; H348-Y359 PolarHBondContact NE2-O 3.49Å
349	N	90.9	Very high	83.4	Confident	51 Å²	51	48.4 Å²	48.4	27%	0.273	26%	0.258	S	S	.	.	H	α-helix	trans	-65.9	-31.3	178.1	-84.9	-86.7	0	0	0	114.2	Y323 K327 G345 L346 L347	Y323-N349 PolarHBondContact OH-OD1 3.15Å; K327-N349 HydrophobicContact CD-CB 3.94Å; K327-N349 WeakPolarHBondContact CE-OD1 3.21Å; K327-N349 HydrophobicContact CG-CB 4.31Å; K327-N349 PolarHBondContact NZ-OD1 3.49Å; G345-N349 WeakPolarHBondContact O-CB 3.14Å; G345-N349 PolarHBondContact O-N 2.92Å; G345-N349 PolarHBondContact O-ND2 3.28Å; L346-N349 PolarHBondContact O-N 3.42Å; L347-N349 VanDerWaalsContact C-N 3.29Å; L347-N349 PolarHBondContact O-N 2.98Å
350	M	91.9	Very high	83.6	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-83.9	-23.7	-179.3	-65.6	-74.2	-69.1	0	0	112.6	R307 F324 K327 L328 L346 L347 H348 E352 F428	R307-M350 PolarHBondContact NH2-O 2.98Å; R307-M350 VanDerWaalsContact NH2-O 3.14Å; F324-M350 HydrophobicContact CB-CE 3.88Å; F324-M350 HydrophobicContact CB-SD 3.61Å; F324-M350 HydrophobicContact CD1-CE 4.45Å; F324-M350 HydrophobicContact CD1-SD 3.67Å; F324-M350 HydrophobicContact CG-CE 4.28Å; F324-M350 HydrophobicContact CG-SD 3.94Å; K327-M350 HydrophobicContact CB-SD 4.39Å; L328-M350 HydrophobicContact CD1-CE 3.96Å; L328-M350 HydrophobicContact CD2-CE 4.32Å; L328-M350 HydrophobicContact CG-CE 4.05Å; L328-M350 HydrophobicContact CG-SD 4.25Å; L346-M350 HydrophobicContact CD1-CG 3.74Å; L346-M350 HydrophobicContact CD1-SD 4.22Å; L346-M350 HydrophobicContact CG-CG 4.15Å; L346-M350 WeakPolarHBondContact O-CB 3.44Å; L346-M350 WeakPolarHBondContact O-CG 3.47Å; L346-M350 PolarHBondContact O-N 3.41Å; L347-M350 PolarHBondContact O-N 3.31Å; H348-M350 VanDerWaalsContact C-N 3.34Å; H348-M350 PolarHBondContact O-N 3.27Å; M350-E352 PolarHBondContact O-N 3.02Å; M350-F428 HydrophobicContact CB-CB 4Å; M350-F428 HydrophobicContact CB-CD1 3.78Å; M350-F428 HydrophobicContact CB-CG 4.29Å; M350-F428 HydrophobicContact CE-CB 3.74Å; M350-F428 HydrophobicContact CE-CD1 4.14Å; M350-F428 HydrophobicContact CE-CD2 4.48Å; M350-F428 HydrophobicContact CE-CG 3.85Å; M350-F428 HydrophobicContact CG-CB 4.46Å; M350-F428 HydrophobicContact CG-CD1 3.69Å; M350-F428 HydrophobicContact CG-CE1 4.34Å; M350-F428 HydrophobicContact CG-CG 4.32Å
351	W	91.2	Very high	83.8	Confident	3 Å²	3	55.2 Å²	55.2	1%	0.011	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	2.2	176.4	-70.3	-8.9	0	0	0	114.5	L347 H348 F353 Y359 L361 F427 A429 P431 C438 L441	L347-W351 HydrophobicContact CB-CD2 4.43Å; L347-W351 HydrophobicContact CB-CH2 4.12Å; L347-W351 HydrophobicContact CB-CZ2 3.89Å; L347-W351 HydrophobicContact CB-CZ3 4.49Å; L347-W351 HydrophobicContact CD2-CZ2 4.08Å; L347-W351 HydrophobicContact CG-CZ2 4.38Å; L347-W351 WeakPolarHBondContact O-CB 3.3Å; L347-W351 PolarHBondContact O-N 2.81Å; H348-W351 AromaticContact CD2-CE3 3.86Å; H348-W351 AromaticContact CD2-CZ3 3.75Å; H348-W351 PolarHBondContact O-N 2.9Å; W351-F353 PolarHBondContact O-N 3.19Å; W351-Y359 HydrophobicContact CE3-CD2 4.18Å; W351-Y359 HydrophobicContact CZ3-CD2 4.39Å; W351-Y359 HydrophobicContact CZ3-CG 4.43Å; W351-L361 HydrophobicContact CH2-CD1 4.14Å; W351-L361 HydrophobicContact CH2-CD2 3.66Å; W351-L361 HydrophobicContact CZ3-CD2 3.95Å; W351-F427 PolarHBondContact NE1-O 3.02Å; W351-A429 PolarHBondContact NE1-O 2.87Å; W351-P431 HydrophobicContact CB-CG 4.31Å; W351-P431 HydrophobicContact CD2-CG 4.08Å; W351-P431 HydrophobicContact CE3-CG 4.02Å; W351-P431 HydrophobicContact CG-CG 4.2Å; W351-C438 HydrophobicContact CH2-CB 4.02Å; W351-C438 HydrophobicContact CZ2-CB 3.88Å; W351-L441 HydrophobicContact CH2-CD1 4.35Å; W351-L441 HydrophobicContact CZ2-CD1 4Å
352	E	82.1	Confident	84	Confident	85 Å²	85	49.9 Å²	49.9	40%	0.397	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	48	-177.1	-71.4	171.4	-62.7	0	0	111.4	R307 F324 M350	R307-E352 IonicContact CZ-OE1 3.47Å; R307-E352 IonicContact NE-OE1 2.82Å; R307-E352 VanDerWaalsContact NH2-CD 3.34Å; R307-E352 IonicContact NH2-OE1 3.65Å; R307-E352 PolarHBondContact NH2-OE1 3.04Å; F324-E352 HydrophobicContact CE1-CG 3.92Å; F324-E352 HydrophobicContact CZ-CG 3.52Å; M350-E352 PolarHBondContact O-N 3.02Å
353	F	70.8	Confident	84.3	Confident	51 Å²	51	47 Å²	47	22%	0.224	25%	0.251	C	S	.	.			trans	-74.3	134.5	-170.8	175.4	-112.7	0	0	0	113.5	H348 W351 I357 Y359	H348-F353 HydrophobicContact CB-CD1 4.21Å; H348-F353 HydrophobicContact CB-CG 4.37Å; H348-F353 WeakPolarHBondContact O-CB 3.15Å; W351-F353 PolarHBondContact O-N 3.19Å; F353-I357 VanDerWaalsContact CE2-C 3.5Å; F353-I357 HydrophobicContact CE2-CB 4.02Å; F353-I357 VanDerWaalsContact CE2-O 3.22Å; F353-I357 WeakPolarHBondContact CE2-O 3.42Å; F353-I357 VanDerWaalsContact CZ-C 3.42Å; F353-I357 HydrophobicContact CZ-CB 4.42Å; F353-Y359 AromaticContact CD2-CD2 3.73Å; F353-Y359 HydrophobicContact CD2-CD2 3.73Å; F353-Y359 AromaticContact CD2-CE2 3.78Å; F353-Y359 HydrophobicContact CD2-CE2 3.78Å; F353-Y359 AromaticContact CE2-CD2 3.71Å; F353-Y359 HydrophobicContact CE2-CD2 3.71Å; F353-Y359 AromaticContact CE2-CE2 3.94Å; F353-Y359 HydrophobicContact CE2-CE2 3.94Å
354	D	64.5	Low	84.4	Confident	85 Å²	85	47 Å²	47	46%	0.455	25%	0.251	S	S	.	.			trans	-72.6	120.6	164.9	-179.5	-26.8	0	0	0	109	D356 I357	D354-D356 PolarHBondContact O-N 2.98Å; D354-D356 PolarHBondContact OD1-N 3.38Å; D354-I357 HydrophobicContact CB-CD1 3.86Å; D354-I357 HydrophobicContact CB-CG1 4.08Å; D354-I357 PolarHBondContact O-N 2.75Å
355	P	61.2	Low	84.6	Confident	105 Å²	105	51.2 Å²	51.2	68%	0.682	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-20.7	-172.2	22	-33.9	0	0	0	115.7
356	D	63	Low	84.9	Confident	132 Å²	132	53.5 Å²	53.5	71%	0.706	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-14.1	-175.6	-77.2	-20.8	0	0	0	115.1	D354	D354-D356 PolarHBondContact O-N 2.98Å; D354-D356 PolarHBondContact OD1-N 3.38Å
357	I	64.4	Low	85	Confident	47 Å²	47	53.2 Å²	53.2	24%	0.241	27%	0.273	C	S	.	.	S	Bend	trans	-110.2	43.5	-160.6	-37.3	-177.9	0	0	0	114.2	I6 F353 D354 Y359	I6-I357 HydrophobicContact CD1-CD1 4.19Å; I6-I357 HydrophobicContact CD1-CG2 4.07Å; I6-I357 HydrophobicContact CG1-CG2 4.23Å; F353-I357 VanDerWaalsContact CE2-C 3.5Å; F353-I357 HydrophobicContact CE2-CB 4.02Å; F353-I357 VanDerWaalsContact CE2-O 3.22Å; F353-I357 WeakPolarHBondContact CE2-O 3.42Å; F353-I357 VanDerWaalsContact CZ-C 3.42Å; F353-I357 HydrophobicContact CZ-CB 4.42Å; D354-I357 HydrophobicContact CB-CD1 3.86Å; D354-I357 HydrophobicContact CB-CG1 4.08Å; D354-I357 PolarHBondContact O-N 2.75Å; I357-Y359 PolarHBondContact O-N 2.84Å
358	T	67.9	Low	85.2	Confident	88 Å²	88	55.2 Å²	55.2	54%	0.54	28%	0.281	S	S	.	.			trans	-50.1	107.7	-160.7	-41.8	0	0	0	0	116.2	K360	T358-K360 PolarHBondContact O-N 3.25Å
359	Y	76.1	Confident	85.5	Confident	46 Å²	46	60.1 Å²	60.1	18%	0.18	30%	0.302	C	S	.	.			trans	-67.1	113.9	173.1	-70.4	-68.9	0	0	0	111.8	L8 H348 W351 F353 I357 P431	L8-Y359 HydrophobicContact CD1-CD1 4.31Å; L8-Y359 HydrophobicContact CD1-CE1 3.59Å; L8-Y359 HydrophobicContact CD2-CE1 4.3Å; L8-Y359 HydrophobicContact CG-CE1 3.95Å; H348-Y359 PolarHBondContact CE1-O 3.46Å; H348-Y359 PolarHBondContact NE2-O 3.49Å; W351-Y359 HydrophobicContact CE3-CD2 4.18Å; W351-Y359 HydrophobicContact CZ3-CD2 4.39Å; W351-Y359 HydrophobicContact CZ3-CG 4.43Å; F353-Y359 AromaticContact CD2-CD2 3.73Å; F353-Y359 HydrophobicContact CD2-CD2 3.73Å; F353-Y359 AromaticContact CD2-CE2 3.78Å; F353-Y359 HydrophobicContact CD2-CE2 3.78Å; F353-Y359 AromaticContact CE2-CD2 3.71Å; F353-Y359 HydrophobicContact CE2-CD2 3.71Å; F353-Y359 AromaticContact CE2-CE2 3.94Å; F353-Y359 HydrophobicContact CE2-CE2 3.94Å; I357-Y359 PolarHBondContact O-N 2.84Å; Y359-P431 HydrophobicContact CD2-CG 4.4Å; Y359-P431 HydrophobicContact CE2-CB 4.47Å; Y359-P431 HydrophobicContact CE2-CG 3.79Å
360	K	89.9	Confident	85.8	Confident	166 Å²	166	61.1 Å²	61.1	72%	0.722	31%	0.305	S	S	*	.			trans	-72.6	141.3	167.5	-63.7	-176.4	178.3	-178.5	0	109.9	T358 P362 S442	T358-K360 PolarHBondContact O-N 3.25Å; K360-P362 WeakPolarHBondContact O-CD 3.49Å; K360-S442 WeakPolarHBondContact O-CB 2.94Å
361	L	95.5	Very high	86.1	Confident	6 Å²	6	61.9 Å²	61.9	3%	0.031	31%	0.309	C	S	.	.			trans	-121.1	60.5	-179.9	-53.5	-179.1	0	0	0	112.2	V344 L347 W351 A363 L364 E365 L441	V344-L361 HydrophobicContact CG1-CD1 4.07Å; V344-L361 HydrophobicContact CG2-CD1 4.37Å; L347-L361 HydrophobicContact CD1-CD1 3.85Å; W351-L361 HydrophobicContact CH2-CD1 4.14Å; W351-L361 HydrophobicContact CH2-CD2 3.66Å; W351-L361 HydrophobicContact CZ3-CD2 3.95Å; L361-A363 PolarHBondContact O-N 3.19Å; L361-L364 HydrophobicContact CB-CB 3.92Å; L361-L364 HydrophobicContact CB-CD2 4.36Å; L361-L364 HydrophobicContact CD1-CD2 3.81Å; L361-L364 PolarHBondContact O-N 2.73Å; L361-L364 VanDerWaalsContact O-N 3.08Å; L361-E365 PolarHBondContact O-N 3.19Å; L361-L441 CarbonylContact C-O 3.5Å; L361-L441 WeakPolarHBondContact CA-O 3.26Å; L361-L441 HydrophobicContact CD2-CB 4.02Å
362	P	97.5	Very high	86.4	Confident	45 Å²	45	62.6 Å²	62.6	29%	0.292	31%	0.314	S	S	.	.	H	α-helix	trans	-59.1	-37.6	-172.4	18.9	-30.3	0	0	0	114.6	K360 E365 M366 S442 S443	K360-P362 WeakPolarHBondContact O-CD 3.49Å; P362-E365 PolarHBondContact O-N 3.04Å; P362-M366 VanDerWaalsContact O-CB 3.3Å; P362-M366 WeakPolarHBondContact O-CB 3.39Å; P362-M366 PolarHBondContact O-N 2.86Å; P362-S442 WeakPolarHBondContact CD-O 3.1Å; P362-S442 WeakPolarHBondContact CG-O 3.42Å; P362-S443 WeakPolarHBondContact CG-O 3.32Å
363	A	98.2	Very high	87.2	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65	-40.1	174.1	0	0	0	0	0	112.1	L361 E365 Y367 I440 L441 S443 C448 V449 L452	L361-A363 PolarHBondContact O-N 3.19Å; A363-E365 VanDerWaalsContact C-N 3.33Å; A363-Y367 WeakPolarHBondContact O-CB 3.28Å; A363-Y367 PolarHBondContact O-N 3.39Å; A363-I440 WeakPolarHBondContact CB-O 3.31Å; A363-L441 PolarHBondContact N-O 3.39Å; A363-S443 WeakPolarHBondContact CB-O 3.49Å; A363-S443 PolarHBondContact N-O 2.91Å; A363-S443 VanDerWaalsContact N-O 3.13Å; A363-C448 HydrophobicContact CB-CB 3.87Å; A363-V449 HydrophobicContact CB-CG2 4.15Å; A363-L452 HydrophobicContact CB-CD1 4.17Å
364	L	98.5	Very high	88.4	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-68.2	-34.8	176.7	-174	63.8	0	0	0	111.9	Y340 F343 V344 L347 L361 Y368 F384 L441 L452 F456	Y340-L364 HydrophobicContact CE2-CD2 4.38Å; Y340-L364 HydrophobicContact CE2-CG 4.01Å; F343-L364 HydrophobicContact CD1-CD1 4.45Å; F343-L364 HydrophobicContact CD1-CD2 4.02Å; F343-L364 HydrophobicContact CE1-CD1 4.22Å; F343-L364 HydrophobicContact CE1-CD2 4.19Å; V344-L364 HydrophobicContact CG2-CD2 4.4Å; L347-L364 HydrophobicContact CD1-CD2 3.71Å; L361-L364 HydrophobicContact CB-CB 3.92Å; L361-L364 HydrophobicContact CB-CD2 4.36Å; L361-L364 HydrophobicContact CD1-CD2 3.81Å; L361-L364 PolarHBondContact O-N 2.73Å; L361-L364 VanDerWaalsContact O-N 3.08Å; L364-Y368 VanDerWaalsContact O-CB 3.29Å; L364-Y368 WeakPolarHBondContact O-CB 3.49Å; L364-Y368 PolarHBondContact O-N 3.24Å; L364-F384 HydrophobicContact CD1-CE1 3.89Å; L364-F384 HydrophobicContact CD1-CZ 3.9Å; L364-L441 HydrophobicContact CB-CD2 3.9Å; L364-L441 HydrophobicContact CD1-CD2 3.81Å; L364-L441 HydrophobicContact CD2-CD2 4.15Å; L364-L441 HydrophobicContact CG-CD2 4.14Å; L364-L452 HydrophobicContact CB-CD1 4.49Å; L364-L452 HydrophobicContact CD1-CD1 4.42Å; L364-F456 HydrophobicContact CD1-CE2 4.25Å; L364-F456 HydrophobicContact CD1-CZ 4.12Å
365	E	98.1	Very high	89.9	Confident	109 Å²	109	68.2 Å²	68.2	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-70.9	-44.2	177.6	-168.7	170.2	176.7	0	0	111.6	Y340 L361 P362 A363 Y368 K369	Y340-E365 HydrophobicContact CE1-CB 4.43Å; Y340-E365 HydrophobicContact CE1-CG 4.29Å; Y340-E365 VanDerWaalsContact OH-CA 3.26Å; Y340-E365 WeakPolarHBondContact OH-CA 3.49Å; Y340-E365 WeakPolarHBondContact OH-CB 3.27Å; Y340-E365 PolarHBondContact OH-N 3.05Å; Y340-E365 VanDerWaalsContact OH-N 3.13Å; L361-E365 PolarHBondContact O-N 3.19Å; P362-E365 PolarHBondContact O-N 3.04Å; A363-E365 VanDerWaalsContact C-N 3.33Å; E365-Y368 PolarHBondContact O-N 2.93Å; E365-K369 PolarHBondContact O-N 3.43Å
366	M	98.4	Very high	91.6	Very high	72 Å²	72	64.7 Å²	64.7	36%	0.355	33%	0.33	S	S	.	.	H	α-helix	trans	-67.5	-41.6	175.9	-172.2	153.8	69.1	0	0	111.5	P362 K369 E370 V449	P362-M366 VanDerWaalsContact O-CB 3.3Å; P362-M366 WeakPolarHBondContact O-CB 3.39Å; P362-M366 PolarHBondContact O-N 2.86Å; M366-K369 PolarHBondContact O-N 2.9Å; M366-E370 WeakPolarHBondContact O-CB 3.35Å; M366-E370 WeakPolarHBondContact O-CG 3.28Å; M366-E370 PolarHBondContact O-N 3.39Å; M366-V449 HydrophobicContact CB-CG2 3.88Å; M366-V449 HydrophobicContact CE-CG2 3.47Å; M366-V449 VanDerWaalsContact CE-CG2 3.47Å; M366-V449 HydrophobicContact CG-CG2 4Å
367	Y	98.6	Very high	93.2	Very high	2 Å²	2	66.7 Å²	66.7	1%	0.008	33%	0.327	C	S	.	.	H	α-helix	trans	-57.2	-48.7	169.3	175.8	-89.4	0	0	0	111.7	A363 K369 E370 M371 V380 K383 F384 L452 K453 F456	A363-Y367 WeakPolarHBondContact O-CB 3.28Å; A363-Y367 PolarHBondContact O-N 3.39Å; Y367-K369 VanDerWaalsContact C-N 3.29Å; Y367-K369 PolarHBondContact O-N 3.22Å; Y367-E370 PolarHBondContact O-N 3.35Å; Y367-M371 HydrophobicContact CD1-CG 4.41Å; Y367-M371 HydrophobicContact CD2-CG 3.92Å; Y367-M371 HydrophobicContact CE1-CB 4.42Å; Y367-M371 HydrophobicContact CE1-CG 4.04Å; Y367-M371 HydrophobicContact CE2-CG 3.52Å; Y367-M371 HydrophobicContact CE2-SD 4.39Å; Y367-M371 HydrophobicContact CG-CG 4.33Å; Y367-M371 WeakPolarHBondContact O-CB 3.5Å; Y367-M371 WeakPolarHBondContact O-CG 3.44Å; Y367-M371 PolarHBondContact O-N 2.97Å; Y367-V380 HydrophobicContact CD1-CG1 4.48Å; Y367-V380 HydrophobicContact CE1-CG1 3.98Å; Y367-K383 WeakPolarHBondContact OH-CD 3.38Å; Y367-F384 HydrophobicContact CD1-CE1 4.04Å; Y367-F384 HydrophobicContact CD1-CZ 4.23Å; Y367-F384 AromaticContact CE1-CE1 3.87Å; Y367-F384 HydrophobicContact CE1-CE1 3.87Å; Y367-F384 HydrophobicContact CE1-CZ 4.37Å; Y367-L452 HydrophobicContact CD2-CB 3.63Å; Y367-L452 HydrophobicContact CE2-CB 4.16Å; Y367-L452 HydrophobicContact CG-CB 3.99Å; Y367-L452 HydrophobicContact CG-CD1 4.29Å; Y367-K453 HydrophobicContact CD2-CG 4Å; Y367-K453 HydrophobicContact CE2-CB 4.41Å; Y367-K453 HydrophobicContact CE2-CG 3.72Å; Y367-F456 HydrophobicContact CD1-CD2 4.01Å; Y367-F456 AromaticContact CD1-CE2 3.84Å; Y367-F456 HydrophobicContact CD1-CE2 3.84Å; Y367-F456 HydrophobicContact CD2-CD2 4.37Å; Y367-F456 AromaticContact CE1-CD2 3.38Å; Y367-F456 HydrophobicContact CE1-CD2 3.38Å; Y367-F456 AromaticContact CE1-CE2 3.61Å; Y367-F456 HydrophobicContact CE1-CE2 3.61Å; Y367-F456 HydrophobicContact CE1-CG 4.19Å; Y367-F456 AromaticContact CE2-CD2 3.79Å; Y367-F456 HydrophobicContact CE2-CD2 3.79Å; Y367-F456 HydrophobicContact CE2-CE2 4.48Å; Y367-F456 HydrophobicContact CG-CD2 4.48Å; Y367-F456 HydrophobicContact CG-CE2 4.4Å; Y367-F456 AromaticContact CZ-CD2 3.27Å; Y367-F456 AromaticContact CZ-CE2 3.98Å; Y367-F456 AromaticContact CZ-CG 3.96Å; Y367-F456 WeakPolarHBondContact OH-CB 3.44Å; Y367-F456 WeakPolarHBondContact OH-CD2 3.19Å
368	Y	98.4	Very high	94.7	Very high	41 Å²	41	70.1 Å²	70.1	16%	0.161	34%	0.342	C	S	.	.	H	α-helix	trans	-60.3	-40.7	179	172.1	-101.9	0	0	0	111.6	Y340 L364 E365 S372 V380 L381 F384	Y340-Y368 AromaticContact CD2-CD1 3.68Å; Y340-Y368 HydrophobicContact CD2-CD1 3.68Å; Y340-Y368 AromaticContact CD2-CD2 3.77Å; Y340-Y368 HydrophobicContact CD2-CD2 3.77Å; Y340-Y368 HydrophobicContact CD2-CE1 4.33Å; Y340-Y368 HydrophobicContact CD2-CE2 4.41Å; Y340-Y368 AromaticContact CD2-CG 3.36Å; Y340-Y368 HydrophobicContact CD2-CG 3.36Å; Y340-Y368 HydrophobicContact CE2-CD1 4.36Å; Y340-Y368 AromaticContact CE2-CG 3.98Å; Y340-Y368 HydrophobicContact CE2-CG 3.98Å; Y340-Y368 AromaticContact CG-CD1 3.87Å; Y340-Y368 HydrophobicContact CG-CD1 3.87Å; Y340-Y368 HydrophobicContact CG-CD2 4.41Å; Y340-Y368 HydrophobicContact CG-CE1 4.15Å; Y340-Y368 HydrophobicContact CG-CG 4.01Å; L364-Y368 VanDerWaalsContact O-CB 3.29Å; L364-Y368 WeakPolarHBondContact O-CB 3.49Å; L364-Y368 PolarHBondContact O-N 3.24Å; E365-Y368 PolarHBondContact O-N 2.93Å; Y368-S372 WeakPolarHBondContact CE2-OG 3.32Å; Y368-S372 WeakPolarHBondContact O-CB 3.24Å; Y368-S372 PolarHBondContact O-N 2.9Å; Y368-S372 PolarHBondContact O-OG 2.91Å; Y368-V380 HydrophobicContact CD2-CB 4.27Å; Y368-V380 HydrophobicContact CD2-CG1 3.75Å; Y368-V380 HydrophobicContact CE2-CG1 4.46Å; Y368-L381 HydrophobicContact CE2-CD2 4.02Å; Y368-L381 HydrophobicContact CE2-CG 4.32Å; Y368-F384 AromaticContact CD2-CE2 3.89Å; Y368-F384 HydrophobicContact CD2-CE2 3.89Å; Y368-F384 HydrophobicContact CD2-CZ 4.21Å
369	K	98	Very high	96.1	Very high	127 Å²	127	68.5 Å²	68.5	55%	0.552	33%	0.328	S	S	*	.	H	α-helix	trans	-64	-60.1	175.7	-174.2	-169.9	168.7	-168.4	0	111.7	E365 M366 Y367 M371 S372 E373	E365-K369 PolarHBondContact O-N 3.43Å; M366-K369 PolarHBondContact O-N 2.9Å; Y367-K369 VanDerWaalsContact C-N 3.29Å; Y367-K369 PolarHBondContact O-N 3.22Å; K369-M371 VanDerWaalsContact C-N 3.32Å; K369-M371 PolarHBondContact O-N 3.19Å; K369-S372 PolarHBondContact O-N 2.85Å; K369-S372 VanDerWaalsContact O-N 3.1Å; K369-E373 WeakPolarHBondContact CE-OE1 3.43Å; K369-E373 WeakPolarHBondContact CG-OE1 3.11Å; K369-E373 IonicContact NZ-OE1 2.62Å; K369-E373 PolarHBondContact O-N 3.22Å; K369-E373 VanDerWaalsContact O-N 3.09Å
370	E	97.9	Very high	97.1	Very high	71 Å²	71	66.3 Å²	66.3	33%	0.332	32%	0.32	S	S	.	.	H	α-helix	trans	-53	-49.2	-177.7	-75.3	179.7	-152.4	0	0	111.5	M366 Y367 E373 L374 K453	M366-E370 WeakPolarHBondContact O-CB 3.35Å; M366-E370 WeakPolarHBondContact O-CG 3.28Å; M366-E370 PolarHBondContact O-N 3.39Å; Y367-E370 PolarHBondContact O-N 3.35Å; E370-E373 PolarHBondContact O-N 3.25Å; E370-L374 PolarHBondContact O-N 2.68Å; E370-L374 VanDerWaalsContact O-N 3.1Å; E370-K453 VanDerWaalsContact OE2-CE 3.31Å; E370-K453 WeakPolarHBondContact OE2-CE 3.29Å; E370-K453 IonicContact OE2-NZ 2.68Å; E370-K453 PolarHBondContact OE2-NZ 2.86Å
371	M	97.9	Very high	97.5	Very high	19 Å²	19	58.8 Å²	58.8	9%	0.094	29%	0.287	C	S	.	.	H	α-helix	trans	-75.3	-26.1	-177.7	-59.2	-55.3	-62.2	0	0	112.5	Y367 K369 E373 L374 V375 V380 K453	Y367-M371 HydrophobicContact CD1-CG 4.41Å; Y367-M371 HydrophobicContact CD2-CG 3.92Å; Y367-M371 HydrophobicContact CE1-CB 4.42Å; Y367-M371 HydrophobicContact CE1-CG 4.04Å; Y367-M371 HydrophobicContact CE2-CG 3.52Å; Y367-M371 HydrophobicContact CE2-SD 4.39Å; Y367-M371 HydrophobicContact CG-CG 4.33Å; Y367-M371 WeakPolarHBondContact O-CB 3.5Å; Y367-M371 WeakPolarHBondContact O-CG 3.44Å; Y367-M371 PolarHBondContact O-N 2.97Å; K369-M371 VanDerWaalsContact C-N 3.32Å; K369-M371 PolarHBondContact O-N 3.19Å; M371-E373 VanDerWaalsContact C-N 3.29Å; M371-L374 HydrophobicContact CE-CD2 4.05Å; M371-L374 PolarHBondContact O-N 3.47Å; M371-L374 HydrophobicContact SD-CD2 4.24Å; M371-V375 HydrophobicContact CE-CG1 4.45Å; M371-V375 HydrophobicContact CE-CG2 4.43Å; M371-V375 VanDerWaalsContact O-CG2 3.24Å; M371-V375 WeakPolarHBondContact O-CG2 3.28Å; M371-V375 PolarHBondContact O-N 2.66Å; M371-V380 VanDerWaalsContact C-CG2 3.44Å; M371-V380 HydrophobicContact CB-CG1 4.41Å; M371-V380 HydrophobicContact CB-CG2 3.58Å; M371-K453 HydrophobicContact SD-CG 4.37Å
372	S	97.6	Very high	97.6	Very high	17 Å²	17	59.9 Å²	59.9	12%	0.119	29%	0.292	C	S	.	.	H	α-helix	trans	-69.7	-29.1	173.3	-71.9	0	0	0	0	112.6	Y368 K369 G376	Y368-S372 WeakPolarHBondContact CE2-OG 3.32Å; Y368-S372 WeakPolarHBondContact O-CB 3.24Å; Y368-S372 PolarHBondContact O-N 2.9Å; Y368-S372 PolarHBondContact O-OG 2.91Å; K369-S372 PolarHBondContact O-N 2.85Å; K369-S372 VanDerWaalsContact O-N 3.1Å; S372-G376 VanDerWaalsContact O-CA 3.26Å; S372-G376 WeakPolarHBondContact O-CA 3.18Å; S372-G376 PolarHBondContact O-N 3.24Å
373	E	97.9	Very high	97.6	Very high	143 Å²	143	58.7 Å²	58.7	67%	0.668	28%	0.283	S	S	*	.	H	α-helix	trans	-76.7	-34	173.3	-69.7	169.7	-166.4	0	0	111.1	K369 E370 M371	K369-E373 WeakPolarHBondContact CE-OE1 3.43Å; K369-E373 WeakPolarHBondContact CG-OE1 3.11Å; K369-E373 IonicContact NZ-OE1 2.62Å; K369-E373 PolarHBondContact O-N 3.22Å; K369-E373 VanDerWaalsContact O-N 3.09Å; E370-E373 PolarHBondContact O-N 3.25Å; M371-E373 VanDerWaalsContact C-N 3.29Å
374	L	96.8	Very high	97.6	Very high	131 Å²	131	58.7 Å²	58.7	69%	0.686	28%	0.283	S	S	*	.	H	α-helix	trans	-84	-46.3	-178.1	-174.6	63.6	0	0	0	115.3	E370 M371	E370-L374 PolarHBondContact O-N 2.68Å; E370-L374 VanDerWaalsContact O-N 3.1Å; M371-L374 HydrophobicContact CE-CD2 4.05Å; M371-L374 PolarHBondContact O-N 3.47Å; M371-L374 HydrophobicContact SD-CD2 4.24Å
375	V	96.6	Very high	97.6	Very high	65 Å²	65	58.7 Å²	58.7	39%	0.394	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	3	-174.5	-57.1	0	0	0	0	114.1	M371 E379 V380	M371-V375 HydrophobicContact CE-CG1 4.45Å; M371-V375 HydrophobicContact CE-CG2 4.43Å; M371-V375 VanDerWaalsContact O-CG2 3.24Å; M371-V375 WeakPolarHBondContact O-CG2 3.28Å; M371-V375 PolarHBondContact O-N 2.66Å; V375-E379 HydrophobicContact CB-CG 4.29Å; V375-E379 HydrophobicContact CG2-CB 4.15Å; V375-E379 HydrophobicContact CG2-CG 3.85Å; V375-V380 HydrophobicContact CG2-CG2 3.99Å
376	G	97.3	Very high	97.6	Very high	32 Å²	32	54.2 Å²	54.2	33%	0.33	26%	0.261	S	S	.	.			trans	83.2	144.8	-179.5	0	0	0	0	0	113.9	S372 E378 E379 V380	S372-G376 VanDerWaalsContact O-CA 3.26Å; S372-G376 WeakPolarHBondContact O-CA 3.18Å; S372-G376 PolarHBondContact O-N 3.24Å; G376-E378 VanDerWaalsContact C-N 3.31Å; G376-E378 PolarHBondContact O-N 3.44Å; G376-E379 PolarHBondContact O-N 3.38Å; G376-V380 PolarHBondContact O-N 3.29Å
377	R	95.9	Very high	97.6	Very high	173 Å²	173	50.8 Å²	50.8	65%	0.653	24%	0.244	S	C	*	.	H	α-helix	trans	-54.5	-41	-174	-67	175.7	-176.4	179.2	2.5	113.9	E379 V380 L381	R377-E379 PolarHBondContact O-N 2.88Å; R377-V380 PolarHBondContact O-N 3.12Å; R377-L381 VanDerWaalsContact O-CG 3.28Å; R377-L381 WeakPolarHBondContact O-CG 3.2Å; R377-L381 PolarHBondContact O-N 3.38Å
378	E	95.7	Very high	97.6	Very high	119 Å²	119	50.7 Å²	50.7	56%	0.556	24%	0.244	S	C	*	.	H	α-helix	trans	-64.3	-38.9	-177	-78.3	-154.7	-144.6	0	0	113.3	K336 G376 L381 E382	K336-E378 WeakPolarHBondContact CE-OE2 3.49Å; K336-E378 IonicContact NZ-OE2 2.68Å; K336-E378 PolarHBondContact NZ-OE2 2.94Å; G376-E378 VanDerWaalsContact C-N 3.31Å; G376-E378 PolarHBondContact O-N 3.44Å; E378-L381 PolarHBondContact O-N 3.26Å; E378-E382 VanDerWaalsContact O-CB 3.28Å; E378-E382 WeakPolarHBondContact O-CB 3.28Å; E378-E382 PolarHBondContact O-N 2.87Å
379	E	96.6	Very high	97.6	Very high	54 Å²	54	52.3 Å²	52.3	25%	0.252	25%	0.25	S	C	.	.	H	α-helix	trans	-68	-40.8	177	171.8	53.9	-160	0	0	110.3	V375 G376 R377 L381 E382 K383 R386	V375-E379 HydrophobicContact CB-CG 4.29Å; V375-E379 HydrophobicContact CG2-CB 4.15Å; V375-E379 HydrophobicContact CG2-CG 3.85Å; G376-E379 PolarHBondContact O-N 3.38Å; R377-E379 PolarHBondContact O-N 2.88Å; E379-L381 PolarHBondContact O-N 2.93Å; E379-E382 CarbonylContact O-C 3.5Å; E379-E382 WeakPolarHBondContact O-CA 3.46Å; E379-E382 WeakPolarHBondContact O-CB 3.45Å; E379-E382 PolarHBondContact O-N 2.65Å; E379-E382 VanDerWaalsContact O-N 3.12Å; E379-K383 WeakPolarHBondContact O-CG 3.48Å; E379-K383 PolarHBondContact O-N 2.86Å; E379-K383 IonicContact OE1-NZ 2.84Å; E379-K383 PolarHBondContact OE1-NZ 3.12Å; E379-R386 IonicContact OE1-CZ 3.55Å; E379-R386 IonicContact OE1-NH1 2.65Å; E379-R386 PolarHBondContact OE1-NH1 3.04Å; E379-R386 IonicContact OE1-NH2 2.81Å; E379-R386 PolarHBondContact OE1-NH2 3.08Å; E379-R386 IonicContact OE2-CZ 2.88Å; E379-R386 IonicContact OE2-NH1 2.93Å; E379-R386 IonicContact OE2-NH2 2.65Å; E379-R386 PolarHBondContact OE2-NH2 3.03Å
380	V	97.9	Very high	97.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.2	-41	176.1	-170.2	0	0	0	0	112.3	Y367 Y368 M371 V375 G376 R377 E382 K383 F384	Y367-V380 HydrophobicContact CD1-CG1 4.48Å; Y367-V380 HydrophobicContact CE1-CG1 3.98Å; Y368-V380 HydrophobicContact CD2-CB 4.27Å; Y368-V380 HydrophobicContact CD2-CG1 3.75Å; Y368-V380 HydrophobicContact CE2-CG1 4.46Å; M371-V380 VanDerWaalsContact C-CG2 3.44Å; M371-V380 HydrophobicContact CB-CG1 4.41Å; M371-V380 HydrophobicContact CB-CG2 3.58Å; V375-V380 HydrophobicContact CG2-CG2 3.99Å; G376-V380 PolarHBondContact O-N 3.29Å; R377-V380 PolarHBondContact O-N 3.12Å; V380-E382 VanDerWaalsContact C-N 3.27Å; V380-E382 PolarHBondContact O-N 3.32Å; V380-K383 WeakPolarHBondContact O-CB 3.28Å; V380-K383 PolarHBondContact O-N 3.44Å; V380-F384 HydrophobicContact CG1-CE1 4.09Å; V380-F384 HydrophobicContact CG1-CE2 4.17Å; V380-F384 HydrophobicContact CG1-CZ 3.76Å; V380-F384 WeakPolarHBondContact O-CG 3.49Å; V380-F384 PolarHBondContact O-N 3.19Å
381	L	97.9	Very high	97.6	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-34.6	174.1	-66.2	172.7	0	0	0	111.9	Y335 G339 Y368 R377 E378 E379 F384 A385	Y335-L381 HydrophobicContact CD2-CB 4.21Å; Y335-L381 WeakPolarHBondContact CD2-O 3.29Å; G339-L381 VanDerWaalsContact C-CD2 3.47Å; Y368-L381 HydrophobicContact CE2-CD2 4.02Å; Y368-L381 HydrophobicContact CE2-CG 4.32Å; R377-L381 VanDerWaalsContact O-CG 3.28Å; R377-L381 WeakPolarHBondContact O-CG 3.2Å; R377-L381 PolarHBondContact O-N 3.38Å; E378-L381 PolarHBondContact O-N 3.26Å; E379-L381 PolarHBondContact O-N 2.93Å; L381-F384 HydrophobicContact CD2-CD2 4.35Å; L381-F384 PolarHBondContact O-N 3.41Å; L381-A385 PolarHBondContact O-N 2.83Å
382	E	97.8	Very high	97.5	Very high	29 Å²	29	45.8 Å²	45.8	14%	0.136	22%	0.22	C	C	.	.	H	α-helix	trans	-68	-40.6	173.2	167.7	61	-153.7	0	0	111.8	Y335 E378 E379 V380 F384 A385 R386 R389	Y335-E382 HydrophobicContact CE2-CB 4.46Å; Y335-E382 PolarHBondContact OH-OE2 2.89Å; Y335-E382 VanDerWaalsContact OH-OE2 3.09Å; E378-E382 VanDerWaalsContact O-CB 3.28Å; E378-E382 WeakPolarHBondContact O-CB 3.28Å; E378-E382 PolarHBondContact O-N 2.87Å; E379-E382 CarbonylContact O-C 3.5Å; E379-E382 WeakPolarHBondContact O-CA 3.46Å; E379-E382 WeakPolarHBondContact O-CB 3.45Å; E379-E382 PolarHBondContact O-N 2.65Å; E379-E382 VanDerWaalsContact O-N 3.12Å; V380-E382 VanDerWaalsContact C-N 3.27Å; V380-E382 PolarHBondContact O-N 3.32Å; E382-F384 VanDerWaalsContact C-N 3.3Å; E382-F384 PolarHBondContact O-N 3.48Å; E382-A385 CarbonylContact O-C 3.53Å; E382-A385 WeakPolarHBondContact O-CA 3.35Å; E382-A385 WeakPolarHBondContact O-CB 3.33Å; E382-A385 PolarHBondContact O-N 3.31Å; E382-R386 VanDerWaalsContact CG-CZ 3.44Å; E382-R386 WeakPolarHBondContact O-CG 3.41Å; E382-R386 PolarHBondContact O-N 2.86Å; E382-R386 WeakPolarHBondContact OE1-CG 3.25Å; E382-R386 IonicContact OE1-CZ 3.73Å; E382-R386 IonicContact OE1-NE 3.13Å; E382-R386 PolarHBondContact OE1-NE 3.26Å; E382-R386 IonicContact OE1-NH2 3.97Å; E382-R389 VanDerWaalsContact CD-NH2 3.27Å; E382-R389 IonicContact OE1-CZ 2.69Å; E382-R389 IonicContact OE1-NH1 2.63Å; E382-R389 PolarHBondContact OE1-NH1 2.71Å; E382-R389 IonicContact OE1-NH2 3.59Å; E382-R389 PolarHBondContact OE1-NH2 2.76Å; E382-R389 IonicContact OE2-CZ 3.86Å; E382-R389 IonicContact OE2-NH1 2.7Å; E382-R389 IonicContact OE2-NH2 3.77Å; E382-R389 PolarHBondContact OE2-NH2 2.84Å
383	K	98	Very high	97.5	Very high	21 Å²	21	47.3 Å²	47.3	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-55	-44.9	171.1	-59.7	-170.9	-169.4	-57.9	0	111.6	Y367 E379 V380 A385 R386 V387 F456 D460	Y367-K383 WeakPolarHBondContact OH-CD 3.38Å; E379-K383 WeakPolarHBondContact O-CG 3.48Å; E379-K383 PolarHBondContact O-N 2.86Å; E379-K383 IonicContact OE1-NZ 2.84Å; E379-K383 PolarHBondContact OE1-NZ 3.12Å; V380-K383 WeakPolarHBondContact O-CB 3.28Å; V380-K383 PolarHBondContact O-N 3.44Å; K383-A385 VanDerWaalsContact C-N 3.34Å; K383-A385 PolarHBondContact O-N 3.16Å; K383-R386 WeakPolarHBondContact O-CB 3.36Å; K383-R386 PolarHBondContact O-N 2.66Å; K383-V387 PolarHBondContact O-N 3.27Å; K383-F456 HydrophobicContact CB-CD1 4.31Å; K383-F456 HydrophobicContact CD-CB 4.23Å; K383-D460 WeakPolarHBondContact CD-OD2 3.3Å; K383-D460 WeakPolarHBondContact CG-OD1 3.28Å; K383-D460 IonicContact NZ-OD2 2.68Å; K383-D460 PolarHBondContact NZ-OD2 2.92Å
384	F	98.3	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.6	-37.9	175.3	-59.5	-18.2	0	0	0	112.5	Y331 Y340 F343 L364 Y367 Y368 V380 L381 E382 V387 A388 F456	Y331-F384 VanDerWaalsContact OH-CB 3.22Å; Y331-F384 WeakPolarHBondContact OH-CB 3.4Å; Y340-F384 HydrophobicContact CD2-CE2 4.07Å; F343-F384 HydrophobicContact CB-CB 4.37Å; F343-F384 HydrophobicContact CB-CD2 3.91Å; F343-F384 HydrophobicContact CB-CG 4.4Å; F343-F384 HydrophobicContact CD1-CB 3.87Å; F343-F384 AromaticContact CD1-CD1 3.94Å; F343-F384 HydrophobicContact CD1-CD1 3.94Å; F343-F384 AromaticContact CD1-CD2 3.61Å; F343-F384 HydrophobicContact CD1-CD2 3.61Å; F343-F384 HydrophobicContact CD1-CE1 4.37Å; F343-F384 HydrophobicContact CD1-CE2 4.07Å; F343-F384 AromaticContact CD1-CG 3.53Å; F343-F384 HydrophobicContact CD1-CG 3.53Å; F343-F384 HydrophobicContact CD1-CZ 4.43Å; F343-F384 HydrophobicContact CD2-CB 3.86Å; F343-F384 HydrophobicContact CD2-CG 4.45Å; F343-F384 HydrophobicContact CE1-CB 4.07Å; F343-F384 AromaticContact CE1-CD1 3.83Å; F343-F384 HydrophobicContact CE1-CD1 3.83Å; F343-F384 HydrophobicContact CE1-CD2 4.33Å; F343-F384 HydrophobicContact CE1-CE1 4.34Å; F343-F384 AromaticContact CE1-CG 3.82Å; F343-F384 HydrophobicContact CE1-CG 3.82Å; F343-F384 HydrophobicContact CE2-CB 4.06Å; F343-F384 HydrophobicContact CG-CB 3.77Å; F343-F384 AromaticContact CG-CD2 3.87Å; F343-F384 HydrophobicContact CG-CD2 3.87Å; F343-F384 AromaticContact CG-CG 3.89Å; F343-F384 HydrophobicContact CG-CG 3.89Å; F343-F384 HydrophobicContact CZ-CB 4.16Å; F343-F384 HydrophobicContact CZ-CD1 4.48Å; F343-F384 HydrophobicContact CZ-CG 4.4Å; L364-F384 HydrophobicContact CD1-CE1 3.89Å; L364-F384 HydrophobicContact CD1-CZ 3.9Å; Y367-F384 HydrophobicContact CD1-CE1 4.04Å; Y367-F384 HydrophobicContact CD1-CZ 4.23Å; Y367-F384 AromaticContact CE1-CE1 3.87Å; Y367-F384 HydrophobicContact CE1-CE1 3.87Å; Y367-F384 HydrophobicContact CE1-CZ 4.37Å; Y368-F384 AromaticContact CD2-CE2 3.89Å; Y368-F384 HydrophobicContact CD2-CE2 3.89Å; Y368-F384 HydrophobicContact CD2-CZ 4.21Å; V380-F384 HydrophobicContact CG1-CE1 4.09Å; V380-F384 HydrophobicContact CG1-CE2 4.17Å; V380-F384 HydrophobicContact CG1-CZ 3.76Å; V380-F384 WeakPolarHBondContact O-CG 3.49Å; V380-F384 PolarHBondContact O-N 3.19Å; L381-F384 HydrophobicContact CD2-CD2 4.35Å; L381-F384 PolarHBondContact O-N 3.41Å; E382-F384 VanDerWaalsContact C-N 3.3Å; E382-F384 PolarHBondContact O-N 3.48Å; F384-V387 PolarHBondContact O-N 2.86Å; F384-A388 PolarHBondContact O-N 3.1Å; F384-F456 HydrophobicContact CD1-CD1 4.3Å; F384-F456 AromaticContact CD1-CE1 3.55Å; F384-F456 HydrophobicContact CD1-CE1 3.55Å; F384-F456 HydrophobicContact CD1-CE2 4.28Å; F384-F456 AromaticContact CD1-CZ 3.54Å; F384-F456 HydrophobicContact CD1-CZ 3.54Å; F384-F456 AromaticContact CE1-CE1 3.95Å; F384-F456 HydrophobicContact CE1-CE1 3.95Å; F384-F456 AromaticContact CE1-CE2 3.81Å; F384-F456 HydrophobicContact CE1-CE2 3.81Å; F384-F456 AromaticContact CE1-CZ 3.47Å; F384-F456 HydrophobicContact CE1-CZ 3.47Å; F384-F456 VanDerWaalsContact CE1-CZ 3.47Å
385	A	98.2	Very high	97.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-69.2	-31.8	175	0	0	0	0	0	113.4	Y331 L332 Y335 L381 E382 K383 A388 R389	Y331-A385 HydrophobicContact CE1-CB 4.42Å; L332-A385 HydrophobicContact CD2-CB 4.07Å; Y335-A385 HydrophobicContact CD1-CB 4.09Å; Y335-A385 HydrophobicContact CD2-CB 3.6Å; Y335-A385 HydrophobicContact CE1-CB 4.1Å; Y335-A385 HydrophobicContact CE2-CB 3.61Å; Y335-A385 HydrophobicContact CG-CB 3.87Å; L381-A385 PolarHBondContact O-N 2.83Å; E382-A385 CarbonylContact O-C 3.53Å; E382-A385 WeakPolarHBondContact O-CA 3.35Å; E382-A385 WeakPolarHBondContact O-CB 3.33Å; E382-A385 PolarHBondContact O-N 3.31Å; K383-A385 VanDerWaalsContact C-N 3.34Å; K383-A385 PolarHBondContact O-N 3.16Å; A385-A388 PolarHBondContact O-N 2.99Å; A385-R389 VanDerWaalsContact CB-NH2 3.35Å; A385-R389 WeakPolarHBondContact O-CG 3.26Å; A385-R389 PolarHBondContact O-N 2.76Å
386	R	98.4	Very high	97.1	Very high	15 Å²	15	39.1 Å²	39.1	6%	0.057	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-44.6	171.5	-66.9	168.1	-168.1	150.9	2.9	110.9	E379 E382 K383 A388 R389 I390 D460 M464	E379-R386 IonicContact OE1-CZ 3.55Å; E379-R386 IonicContact OE1-NH1 2.65Å; E379-R386 PolarHBondContact OE1-NH1 3.04Å; E379-R386 IonicContact OE1-NH2 2.81Å; E379-R386 PolarHBondContact OE1-NH2 3.08Å; E379-R386 IonicContact OE2-CZ 2.88Å; E379-R386 IonicContact OE2-NH1 2.93Å; E379-R386 IonicContact OE2-NH2 2.65Å; E379-R386 PolarHBondContact OE2-NH2 3.03Å; E382-R386 VanDerWaalsContact CG-CZ 3.44Å; E382-R386 WeakPolarHBondContact O-CG 3.41Å; E382-R386 PolarHBondContact O-N 2.86Å; E382-R386 WeakPolarHBondContact OE1-CG 3.25Å; E382-R386 IonicContact OE1-CZ 3.73Å; E382-R386 IonicContact OE1-NE 3.13Å; E382-R386 PolarHBondContact OE1-NE 3.26Å; E382-R386 IonicContact OE1-NH2 3.97Å; K383-R386 WeakPolarHBondContact O-CB 3.36Å; K383-R386 PolarHBondContact O-N 2.66Å; R386-A388 PolarHBondContact O-N 2.91Å; R386-R389 PolarHBondContact O-N 2.91Å; R386-I390 WeakPolarHBondContact O-CG1 3.4Å; R386-I390 PolarHBondContact O-N 3.47Å; R386-D460 WeakPolarHBondContact CD-OD1 3.4Å; R386-D460 IonicContact CZ-OD1 3.91Å; R386-D460 IonicContact NE-OD1 2.74Å; R386-D460 IonicContact NH1-OD1 3.33Å; R386-D460 PolarHBondContact NH1-OD1 3.04Å; R386-D460 IonicContact NH1-OD2 3.58Å; R386-M464 VanDerWaalsContact NH2-CE 3.34Å
387	V	98.6	Very high	97	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.8	-45.9	173.5	-172.9	0	0	0	0	111.9	K383 F384 R389 I390 A391 A424 F427 F428 F456 F459	K383-V387 PolarHBondContact O-N 3.27Å; F384-V387 PolarHBondContact O-N 2.86Å; V387-R389 PolarHBondContact O-N 2.99Å; V387-I390 PolarHBondContact O-N 2.89Å; V387-A391 WeakPolarHBondContact O-CB 3.45Å; V387-A391 PolarHBondContact O-N 3.37Å; V387-A424 HydrophobicContact CG1-CB 4.23Å; V387-F427 HydrophobicContact CG1-CB 4.29Å; V387-F427 HydrophobicContact CG1-CD2 3.9Å; V387-F427 HydrophobicContact CG1-CE2 4.45Å; V387-F427 HydrophobicContact CG1-CG 3.98Å; V387-F428 HydrophobicContact CG1-CE2 4.27Å; V387-F456 HydrophobicContact CG2-CD1 3.8Å; V387-F456 HydrophobicContact CG2-CE1 3.63Å; V387-F459 HydrophobicContact CG1-CD2 4.48Å; V387-F459 HydrophobicContact CG1-CE2 4.39Å; V387-F459 HydrophobicContact CG2-CB 4.01Å; V387-F459 HydrophobicContact CG2-CD2 3.53Å; V387-F459 HydrophobicContact CG2-CE2 4.18Å; V387-F459 HydrophobicContact CG2-CG 3.82Å
388	A	98.1	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.5	-34.4	179.1	0	0	0	0	0	113.3	L328 Y331 L332 L346 F384 A385 R386 K392	L328-A388 HydrophobicContact CD2-CB 4.06Å; Y331-A388 HydrophobicContact CD1-CB 3.77Å; Y331-A388 HydrophobicContact CE1-CB 3.79Å; L332-A388 HydrophobicContact CD2-CB 3.89Å; L332-A388 HydrophobicContact CG-CB 4.25Å; L346-A388 HydrophobicContact CD2-CB 4.27Å; F384-A388 PolarHBondContact O-N 3.1Å; A385-A388 PolarHBondContact O-N 2.99Å; R386-A388 PolarHBondContact O-N 2.91Å; A388-K392 PolarHBondContact O-N 3Å; A388-K392 VanDerWaalsContact O-N 3.15Å
389	R	98	Very high	96.8	Very high	75 Å²	75	28.6 Å²	28.6	28%	0.283	14%	0.14	S	C	.	.	H	α-helix	trans	-67.2	-50.1	172.3	-71.3	171.7	-141.3	140.5	4.5	111.9	L332 E382 A385 R386 V387 A391 K392 T393	L332-R389 HydrophobicContact CD1-CG 4.07Å; L332-R389 HydrophobicContact CD2-CG 3.82Å; E382-R389 VanDerWaalsContact CD-NH2 3.27Å; E382-R389 IonicContact OE1-CZ 2.69Å; E382-R389 IonicContact OE1-NH1 2.63Å; E382-R389 PolarHBondContact OE1-NH1 2.71Å; E382-R389 IonicContact OE1-NH2 3.59Å; E382-R389 PolarHBondContact OE1-NH2 2.76Å; E382-R389 IonicContact OE2-CZ 3.86Å; E382-R389 IonicContact OE2-NH1 2.7Å; E382-R389 IonicContact OE2-NH2 3.77Å; E382-R389 PolarHBondContact OE2-NH2 2.84Å; A385-R389 VanDerWaalsContact CB-NH2 3.35Å; A385-R389 WeakPolarHBondContact O-CG 3.26Å; A385-R389 PolarHBondContact O-N 2.76Å; R386-R389 PolarHBondContact O-N 2.91Å; V387-R389 PolarHBondContact O-N 2.99Å; R389-A391 VanDerWaalsContact C-N 3.3Å; R389-A391 PolarHBondContact O-N 2.77Å; R389-K392 WeakPolarHBondContact O-CA 3.41Å; R389-K392 WeakPolarHBondContact O-CB 3.3Å; R389-K392 PolarHBondContact O-N 3.14Å; R389-T393 PolarHBondContact O-N 3.25Å
390	I	98.6	Very high	96.4	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.067	15%	0.154	C	C	.	.	H	α-helix	trans	-64.2	-37	-179	-67	171	0	0	0	110.6	R386 V387 K392 T393 A420 A424 F459 M462	R386-I390 WeakPolarHBondContact O-CG1 3.4Å; R386-I390 PolarHBondContact O-N 3.47Å; V387-I390 PolarHBondContact O-N 2.89Å; I390-K392 VanDerWaalsContact C-N 3.31Å; I390-K392 PolarHBondContact O-N 3.44Å; I390-T393 PolarHBondContact O-OG1 2.88Å; I390-A420 VanDerWaalsContact CG2-C 3.44Å; I390-A420 HydrophobicContact CG2-CB 3.77Å; I390-A420 VanDerWaalsContact CG2-O 3.3Å; I390-A420 WeakPolarHBondContact CG2-O 3.48Å; I390-A424 HydrophobicContact CB-CB 4.1Å; I390-A424 HydrophobicContact CG2-CB 3.71Å; I390-F459 HydrophobicContact CD1-CB 4.15Å; I390-F459 HydrophobicContact CD1-CD1 3.85Å; I390-F459 HydrophobicContact CD1-CG 4.47Å; I390-F459 WeakPolarHBondContact CD1-O 3.32Å; I390-F459 HydrophobicContact CG2-CD1 4.3Å; I390-F459 HydrophobicContact CG2-CE1 4.4Å; I390-M462 HydrophobicContact CD1-CB 3.93Å
391	A	97.9	Very high	96	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63	-37.6	170.7	0	0	0	0	0	111.9	V387 R389 A394 A424 R425 F428	V387-A391 WeakPolarHBondContact O-CB 3.45Å; V387-A391 PolarHBondContact O-N 3.37Å; R389-A391 VanDerWaalsContact C-N 3.3Å; R389-A391 PolarHBondContact O-N 2.77Å; A391-A394 WeakPolarHBondContact O-CB 3.29Å; A391-A394 PolarHBondContact O-N 2.84Å; A391-A424 HydrophobicContact CB-CB 3.88Å; A391-R425 HydrophobicContact CB-CG 4.48Å; A391-R425 PolarHBondContact O-NE 2.83Å; A391-R425 PolarHBondContact O-NH2 3.04Å; A391-F428 HydrophobicContact CB-CD2 3.73Å; A391-F428 HydrophobicContact CB-CE2 3.55Å
392	K	96.3	Very high	95.8	Very high	67 Å²	67	32.7 Å²	32.7	29%	0.291	16%	0.158	S	C	.	.	H	α-helix	trans	-63.9	-42.8	-179.9	-173.8	179.2	171	179.4	0	112.3	D329 A388 R389 I390 A394 E395	D329-K392 WeakPolarHBondContact OD1-CE 3.27Å; D329-K392 IonicContact OD1-NZ 3.67Å; D329-K392 PolarHBondContact OD1-NZ 2.89Å; D329-K392 IonicContact OD2-NZ 2.71Å; A388-K392 PolarHBondContact O-N 3Å; A388-K392 VanDerWaalsContact O-N 3.15Å; R389-K392 WeakPolarHBondContact O-CA 3.41Å; R389-K392 WeakPolarHBondContact O-CB 3.3Å; R389-K392 PolarHBondContact O-N 3.14Å; I390-K392 VanDerWaalsContact C-N 3.31Å; I390-K392 PolarHBondContact O-N 3.44Å; K392-A394 PolarHBondContact O-N 2.92Å; K392-E395 PolarHBondContact O-N 2.93Å
393	T	96.8	Very high	95.7	Very high	49 Å²	49	31.6 Å²	31.6	30%	0.301	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.5	-178.4	64.3	0	0	0	0	114.4	R389 I390 E395 D396 I397	R389-T393 PolarHBondContact O-N 3.25Å; I390-T393 PolarHBondContact O-OG1 2.88Å; T393-E395 PolarHBondContact O-N 2.65Å; T393-E395 VanDerWaalsContact O-N 3.08Å; T393-D396 WeakPolarHBondContact CA-OD2 3.37Å; T393-D396 PolarHBondContact O-N 3.38Å; T393-I397 WeakPolarHBondContact O-CG1 3.41Å; T393-I397 PolarHBondContact O-N 2.97Å
394	A	96.2	Very high	95.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-49.6	-30.5	171.2	0	0	0	0	0	113.8	W308 A391 K392 L398 A421 R425	W308-A394 HydrophobicContact CB-CB 4.06Å; W308-A394 HydrophobicContact CD2-CB 4.26Å; W308-A394 HydrophobicContact CG-CB 3.83Å; W308-A394 PolarHBondContact NE1-O 2.59Å; A391-A394 WeakPolarHBondContact O-CB 3.29Å; A391-A394 PolarHBondContact O-N 2.84Å; K392-A394 PolarHBondContact O-N 2.92Å; A394-L398 HydrophobicContact CB-CD1 3.77Å; A394-L398 HydrophobicContact CB-CG 4.49Å; A394-L398 WeakPolarHBondContact O-CB 3.32Å; A394-A421 HydrophobicContact CB-CB 4.17Å; A394-R425 HydrophobicContact CB-CG 4.3Å
395	E	92.6	Very high	95.4	Very high	50 Å²	50	32.2 Å²	32.2	23%	0.234	15%	0.154	C	C	.	.	H	α-helix	trans	-67.6	-43.2	173.8	-171.9	179	152.2	0	0	112	R309 Y321 K325 K392 T393	R309-E395 PolarHBondContact NH1-O 3.3Å; Y321-E395 PolarHBondContact OH-OE1 3.35Å; Y321-E395 PolarHBondContact OH-OE2 3.21Å; K325-E395 WeakPolarHBondContact CD-OE2 3.4Å; K325-E395 WeakPolarHBondContact CE-OE2 3.44Å; K325-E395 IonicContact NZ-OE1 2.69Å; K325-E395 PolarHBondContact NZ-OE1 2.92Å; K325-E395 IonicContact NZ-OE2 3.74Å; K325-E395 PolarHBondContact NZ-OE2 3.35Å; K392-E395 PolarHBondContact O-N 2.93Å; T393-E395 PolarHBondContact O-N 2.65Å; T393-E395 VanDerWaalsContact O-N 3.08Å
396	D	94.1	Very high	95.1	Very high	117 Å²	117	32.6 Å²	32.6	63%	0.626	16%	0.157	S	C	*	.	H	α-helix	trans	-85.2	-36	-171.5	-43.9	-70	0	0	0	113	T393	T393-D396 WeakPolarHBondContact CA-OD2 3.37Å; T393-D396 PolarHBondContact O-N 3.38Å
397	I	95.7	Very high	94.5	Very high	61 Å²	61	34.5 Å²	34.5	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-108.9	-18	-167.3	78.6	179.6	0	0	0	115.4	T393 K417 Q418 A421	T393-I397 WeakPolarHBondContact O-CG1 3.41Å; T393-I397 PolarHBondContact O-N 2.97Å; I397-K417 HydrophobicContact CD1-CB 4.25Å; I397-K417 VanDerWaalsContact CD1-O 3.3Å; I397-K417 WeakPolarHBondContact CD1-O 3.33Å; I397-Q418 HydrophobicContact CD1-CG 4.45Å; I397-Q418 HydrophobicContact CG1-CG 4.21Å; I397-Q418 WeakPolarHBondContact O-CG 3.38Å; I397-Q418 PolarHBondContact O-NE2 3.04Å; I397-A421 HydrophobicContact CD1-CB 4.01Å; I397-A421 HydrophobicContact CG1-CB 4.31Å
398	L	95.8	Very high	94.1	Very high	11 Å²	11	37.9 Å²	37.9	6%	0.058	20%	0.199	C	C	.	.	S	Bend	trans	-86.9	153.2	175.8	-63.5	174.9	0	0	0	110.4	W308 R309 A394 I402 Q418 A421 L422	W308-L398 HydrophobicContact CD2-CD1 4.38Å; W308-L398 HydrophobicContact CH2-CD1 4.42Å; W308-L398 HydrophobicContact CZ2-CD1 3.62Å; R309-L398 PolarHBondContact NH2-O 2.84Å; A394-L398 HydrophobicContact CB-CD1 3.77Å; A394-L398 HydrophobicContact CB-CG 4.49Å; A394-L398 WeakPolarHBondContact O-CB 3.32Å; L398-I402 HydrophobicContact CD2-CD1 4.28Å; L398-Q418 HydrophobicContact CD2-CB 3.77Å; L398-Q418 HydrophobicContact CD2-CG 3.99Å; L398-A421 HydrophobicContact CD1-CB 4.36Å; L398-A421 HydrophobicContact CG-CB 4.43Å; L398-L422 HydrophobicContact CD1-CD2 3.7Å; L398-L422 HydrophobicContact CD1-CG 4.03Å; L398-L422 HydrophobicContact CD2-CD1 4.36Å; L398-L422 HydrophobicContact CD2-CD2 4.42Å; L398-L422 HydrophobicContact CD2-CG 4.04Å
399	P	91.8	Very high	93.9	Very high	31 Å²	31	37.9 Å²	37.9	20%	0.201	20%	0.199	C	C	.	.			trans	-73.1	160.1	174.3	34.7	-41.2	0	0	0	112.2	Y279 Q306 R309 R401 I402	Y279-P399 HydrophobicContact CD1-CB 4Å; Y279-P399 HydrophobicContact CD1-CG 3.52Å; Y279-P399 HydrophobicContact CE1-CG 4.19Å; Y279-P399 HydrophobicContact CG-CG 3.87Å; Q306-P399 PolarHBondContact NE2-O 2.88Å; Q306-P399 PolarHBondContact OE1-O 3.25Å; R309-P399 VanDerWaalsContact NH2-C 3.27Å; R309-P399 PolarHBondContact NH2-O 2.93Å; P399-R401 VanDerWaalsContact CG-O 3.31Å; P399-R401 WeakPolarHBondContact CG-O 3.21Å; P399-R401 PolarHBondContact O-N 2.87Å; P399-I402 HydrophobicContact CG-CD1 4.34Å; P399-I402 HydrophobicContact CG-CG1 3.52Å
400	E	87.4	Confident	93.8	Very high	116 Å²	116	37 Å²	37	54%	0.542	20%	0.199	S	C	.	.	S	Bend	trans	-54.9	-38.9	175.9	-172.2	-148.4	118.4	0	0	112.4	Q306	Q306-E400 PolarHBondContact NE2-O 2.87Å; Q306-E400 VanDerWaalsContact NE2-O 3.15Å; Q306-E400 PolarHBondContact OE1-O 2.84Å
401	R	90.1	Very high	93.7	Very high	32 Å²	32	36.4 Å²	36.4	12%	0.121	20%	0.196	C	C	.	.			trans	-127.4	134.1	178.4	-57.1	-177.5	-171.5	-152.2	-2.7	109	R293 E294 V303 S313 P399 Y403	R293-R401 PolarHBondContact O-NH1 2.79Å; E294-R401 IonicContact OE1-CZ 3.75Å; E294-R401 IonicContact OE1-NH1 2.8Å; E294-R401 PolarHBondContact OE1-NH1 3.39Å; E294-R401 IonicContact OE1-NH2 3.44Å; V303-R401 HydrophobicContact CG1-CB 4.32Å; S313-R401 PolarHBondContact O-NH2 3.19Å; P399-R401 VanDerWaalsContact CG-O 3.31Å; P399-R401 WeakPolarHBondContact CG-O 3.21Å; P399-R401 PolarHBondContact O-N 2.87Å; R401-Y403 HydrophobicContact CB-CE1 4.03Å; R401-Y403 HydrophobicContact CB-CE2 4.4Å; R401-Y403 WeakPolarHBondContact CD-OH 3.24Å
402	I	94.1	Very high	93.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.			trans	-118.4	123.9	168.7	-63	170.1	0	0	0	105.2	Y279 L304 W308 L398 P399 L422 L550	Y279-I402 HydrophobicContact CE2-CG2 4.27Å; L304-I402 HydrophobicContact CB-CB 4.11Å; L304-I402 HydrophobicContact CB-CG2 4.31Å; L304-I402 WeakPolarHBondContact CB-O 3.46Å; L304-I402 HydrophobicContact CD2-CB 4.3Å; L304-I402 HydrophobicContact CD2-CD1 4.28Å; L304-I402 HydrophobicContact CD2-CG2 4.11Å; L304-I402 PolarHBondContact N-O 2.79Å; W308-I402 HydrophobicContact CZ2-CD1 4.19Å; L398-I402 HydrophobicContact CD2-CD1 4.28Å; P399-I402 HydrophobicContact CG-CD1 4.34Å; P399-I402 HydrophobicContact CG-CG1 3.52Å; I402-L422 HydrophobicContact CD1-CD1 4.26Å; I402-L422 HydrophobicContact CD1-CD2 4.02Å; I402-L550 HydrophobicContact CG2-CD2 3.54Å
403	Y	94.7	Very high	93.8	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.02	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-91.1	133.9	179.5	-54.5	-66.1	0	0	0	111.6	Y277 Y279 L292 R293 I302 V303 R401	Y277-Y403 AromaticContact CD1-CD2 3.69Å; Y277-Y403 HydrophobicContact CD1-CD2 3.69Å; Y277-Y403 AromaticContact CD1-CE2 3.92Å; Y277-Y403 HydrophobicContact CD1-CE2 3.92Å; Y277-Y403 AromaticContact CD2-CD2 3.81Å; Y277-Y403 HydrophobicContact CD2-CD2 3.81Å; Y277-Y403 HydrophobicContact CD2-CG 4.46Å; Y277-Y403 AromaticContact CE1-CD2 3.53Å; Y277-Y403 HydrophobicContact CE1-CD2 3.53Å; Y277-Y403 AromaticContact CE1-CE2 3.47Å; Y277-Y403 HydrophobicContact CE1-CE2 3.47Å; Y277-Y403 VanDerWaalsContact CE1-CE2 3.47Å; Y277-Y403 AromaticContact CE2-CD2 3.65Å; Y277-Y403 HydrophobicContact CE2-CD2 3.65Å; Y277-Y403 HydrophobicContact CE2-CE2 4.32Å; Y277-Y403 HydrophobicContact CE2-CG 4.23Å; Y277-Y403 AromaticContact CG-CD2 3.84Å; Y277-Y403 HydrophobicContact CG-CD2 3.84Å; Y277-Y403 AromaticContact CZ-CD2 3.5Å; Y277-Y403 AromaticContact CZ-CE2 3.7Å; Y279-Y403 HydrophobicContact CE1-CD2 4.47Å; Y279-Y403 WeakPolarHBondContact OH-CD2 3.34Å; Y279-Y403 PolarHBondContact OH-N 3.43Å; L292-Y403 WeakPolarHBondContact CA-OH 3.48Å; R293-Y403 HydrophobicContact CB-CD1 4.07Å; R293-Y403 HydrophobicContact CB-CE1 3.61Å; R293-Y403 PolarHBondContact N-OH 3.08Å; I302-Y403 HydrophobicContact CG1-CD1 4.45Å; I302-Y403 CarbonylContact O-C 3.51Å; I302-Y403 WeakPolarHBondContact O-CA 3.17Å; V303-Y403 HydrophobicContact CG2-CD1 4.2Å; V303-Y403 HydrophobicContact CG2-CE1 3.99Å; R401-Y403 HydrophobicContact CB-CE1 4.03Å; R401-Y403 HydrophobicContact CB-CE2 4.4Å; R401-Y403 WeakPolarHBondContact CD-OH 3.24Å
404	R	95.6	Very high	93.9	Very high	32 Å²	32	30.9 Å²	30.9	12%	0.121	17%	0.167	C	C	.	.			trans	-76	150.3	170.8	-65.4	-179.4	66.8	-120.4	4.2	109.4	K301 I302 L304 V406 L549 L550 C551 E552	K301-R404 PolarHBondContact O-NH1 3.48Å; I302-R404 PolarHBondContact O-N 2.86Å; L304-R404 HydrophobicContact CB-CG 4.29Å; L304-R404 HydrophobicContact CD1-CG 4.45Å; R404-V406 HydrophobicContact CB-CG1 4.25Å; R404-V406 HydrophobicContact CB-CG2 4.3Å; R404-V406 PolarHBondContact O-N 2.81Å; R404-L549 PolarHBondContact NE-O 3.24Å; R404-L550 CarbonylContact C-O 3.58Å; R404-L550 WeakPolarHBondContact CA-O 3.17Å; R404-L550 VanDerWaalsContact CB-O 3.24Å; R404-L550 WeakPolarHBondContact CB-O 3.35Å; R404-C551 PolarHBondContact NH2-O 2.88Å; R404-E552 IonicContact CZ-OE1 2.76Å; R404-E552 IonicContact NH1-OE1 2.67Å; R404-E552 PolarHBondContact NH1-OE1 3.01Å; R404-E552 IonicContact NH2-OE1 2.6Å; R404-E552 PolarHBondContact NH2-OE1 3.13Å
405	L	95.5	Very high	94	Very high	2 Å²	2	32 Å²	32	1%	0.01	18%	0.175	C	C	.	.	S	Bend	trans	-79.5	65.3	-178.6	-71.6	80	0	0	0	110.1	E410 A412 L475 L550	L405-E410 WeakPolarHBondContact CD2-O 3.32Å; L405-A412 HydrophobicContact CD1-CB 4.02Å; L405-L475 HydrophobicContact CB-CB 3.97Å; L405-L475 HydrophobicContact CB-CD2 4.2Å; L405-L475 HydrophobicContact CD2-CB 3.66Å; L405-L475 HydrophobicContact CG-CB 4.45Å; L405-L475 WeakPolarHBondContact O-CD2 3.4Å; L405-L550 HydrophobicContact CD1-CB 3.64Å; L405-L550 HydrophobicContact CD1-CD1 4.25Å; L405-L550 HydrophobicContact CD1-CG 4.42Å; L405-L550 PolarHBondContact N-O 2.8Å
406	V	90.6	Very high	94.3	Very high	8 Å²	8	29.7 Å²	29.7	5%	0.048	16%	0.164	C	C	.	.			trans	-123.9	150.8	-178.1	-60.9	0	0	0	0	110.3	I302 R404 D408 V409 E552	I302-V406 HydrophobicContact CB-CG2 3.97Å; I302-V406 HydrophobicContact CD1-CG2 4.5Å; I302-V406 HydrophobicContact CG1-CG2 3.84Å; R404-V406 HydrophobicContact CB-CG1 4.25Å; R404-V406 HydrophobicContact CB-CG2 4.3Å; R404-V406 PolarHBondContact O-N 2.81Å; V406-D408 PolarHBondContact O-N 3.12Å; V406-V409 PolarHBondContact O-N 2.65Å; V406-E552 VanDerWaalsContact CG1-CD 3.4Å; V406-E552 HydrophobicContact CG1-CG 3.8Å
407	G	87.2	Confident	94.5	Very high	56 Å²	56	27.8 Å²	27.8	58%	0.577	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	-121.3	-171.9	0	0	0	0	0	111.5	K477	G407-K477 PolarHBondContact O-NZ 3.13Å
408	D	89.3	Confident	94.6	Very high	70 Å²	70	25.5 Å²	25.5	37%	0.374	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-1.8	-177	64.9	-50.7	0	0	0	114.5	R275 R293 V406 E410	R275-D408 WeakPolarHBondContact CG-O 3.29Å; R275-D408 PolarHBondContact NE-O 3Å; R293-D408 IonicContact CZ-OD1 3.25Å; R293-D408 IonicContact CZ-OD2 2.67Å; R293-D408 VanDerWaalsContact CZ-OD2 3.25Å; R293-D408 IonicContact NH1-OD1 2.91Å; R293-D408 PolarHBondContact NH1-OD1 3.36Å; R293-D408 IonicContact NH1-OD2 3.98Å; R293-D408 PolarHBondContact NH1-OD2 2.97Å; R293-D408 IonicContact NH2-OD1 2.69Å; R293-D408 IonicContact NH2-OD2 3.83Å; R293-D408 PolarHBondContact NH2-OD2 3.08Å; V406-D408 PolarHBondContact O-N 3.12Å; D408-E410 PolarHBondContact O-N 2.6Å
409	V	93.9	Very high	94.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.			trans	-73.2	117.3	172.7	-179.9	0	0	0	0	109.5	Y277 I302 V406	Y277-V409 HydrophobicContact CD2-CG1 4.12Å; Y277-V409 HydrophobicContact CE2-CG1 4.38Å; Y277-V409 HydrophobicContact CE2-CG2 4.28Å; I302-V409 HydrophobicContact CD1-CG2 3.84Å; I302-V409 HydrophobicContact CG1-CG2 4.2Å; V406-V409 PolarHBondContact O-N 2.65Å
410	E	95.3	Very high	95.1	Very high	58 Å²	58	23.6 Å²	23.6	27%	0.271	13%	0.127	S	C	.	.			trans	-97.9	-35.5	-172	-65.7	-178.4	145.8	0	0	113	R275 N276 L405 D408 R474 L475	R275-E410 HydrophobicContact CB-CG 4.34Å; R275-E410 VanDerWaalsContact CZ-CD 3.49Å; R275-E410 IonicContact CZ-OE1 3.91Å; R275-E410 IonicContact CZ-OE2 3.75Å; R275-E410 IonicContact NH1-OE1 4Å; R275-E410 PolarHBondContact NH1-OE1 2.79Å; R275-E410 IonicContact NH2-OE1 2.76Å; R275-E410 PolarHBondContact NH2-OE1 2.98Å; R275-E410 PolarHBondContact O-N 2.81Å; N276-E410 PolarHBondContact ND2-OE2 3.09Å; L405-E410 WeakPolarHBondContact CD2-O 3.32Å; D408-E410 PolarHBondContact O-N 2.6Å; E410-R474 CarbonylContact O-C 3.6Å; E410-R474 VanDerWaalsContact O-CA 3.28Å; E410-R474 WeakPolarHBondContact O-CA 3.35Å; E410-L475 PolarHBondContact O-N 2.88Å
411	S	97.6	Very high	95.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	161	-178.3	71.8	0	0	0	0	115.6	R275 N276 Y277 F473	R275-S411 PolarHBondContact O-N 3.11Å; N276-S411 WeakPolarHBondContact CA-OG 3.16Å; N276-S411 VanDerWaalsContact CB-OG 3.23Å; N276-S411 WeakPolarHBondContact CB-OG 3.27Å; N276-S411 VanDerWaalsContact CG-OG 3.3Å; N276-S411 WeakPolarHBondContact OD1-CB 3.49Å; N276-S411 PolarHBondContact OD1-OG 2.93Å; Y277-S411 PolarHBondContact N-O 2.81Å; S411-F473 CarbonylContact C-O 3.57Å; S411-F473 WeakPolarHBondContact CA-O 3.34Å; S411-F473 WeakPolarHBondContact CB-O 3.44Å
412	A	97.9	Very high	96	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	125.7	176.7	0	0	0	0	0	109.3	Y277 Y279 L405 L414 S472 F473 L550	Y277-A412 CarbonylContact O-C 3.45Å; Y277-A412 VanDerWaalsContact O-CA 3.3Å; Y277-A412 WeakPolarHBondContact O-CA 3.29Å; Y279-A412 HydrophobicContact CE2-CB 3.91Å; L405-A412 HydrophobicContact CD1-CB 4.02Å; A412-L414 HydrophobicContact CB-CD1 4.18Å; A412-S472 WeakPolarHBondContact O-CA 3.28Å; A412-F473 PolarHBondContact N-O 2.91Å; A412-F473 PolarHBondContact O-N 3.38Å; A412-L550 HydrophobicContact CB-CD1 3.86Å
413	T	98.4	Very high	96.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.9	178.3	-56	0	0	0	0	110.6	Y277 Y279 A470 V471 S472	Y277-T413 PolarHBondContact O-N 3.06Å; Y279-T413 PolarHBondContact N-O 3.46Å; T413-A470 HydrophobicContact CG2-CB 4.07Å; T413-V471 WeakPolarHBondContact CA-O 3.49Å; T413-S472 WeakPolarHBondContact CG2-OG 3.32Å; T413-S472 PolarHBondContact OG1-OG 3.19Å
414	L	98.4	Very high	96.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	156.1	-174.7	-63.6	93.9	0	0	0	110.1	Y279 A412 Q418 L422 A470 V471 F473 V546 L550	Y279-L414 HydrophobicContact CD2-CD1 4.22Å; Y279-L414 HydrophobicContact CD2-CG 4.02Å; A412-L414 HydrophobicContact CB-CD1 4.18Å; L414-Q418 HydrophobicContact CB-CB 4.09Å; L414-Q418 HydrophobicContact CD2-CB 4.21Å; L414-L422 HydrophobicContact CD2-CD1 3.63Å; L414-A470 CarbonylContact O-C 3.12Å; L414-A470 WeakPolarHBondContact O-CA 3.39Å; L414-A470 VanDerWaalsContact O-CB 3.3Å; L414-A470 WeakPolarHBondContact O-CB 3.48Å; L414-V471 PolarHBondContact N-O 3.02Å; L414-V471 PolarHBondContact O-N 3.42Å; L414-F473 HydrophobicContact CD1-CD2 3.99Å; L414-F473 HydrophobicContact CD1-CE2 4.06Å; L414-V546 HydrophobicContact CD1-CG1 4.49Å; L414-L550 HydrophobicContact CD1-CD1 4.27Å
415	S	98.2	Very high	96.5	Very high	24 Å²	24	16.4 Å²	16.4	17%	0.168	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	155.9	169.4	68	0	0	0	0	111.2	K417 Q418 C419 G469	S415-K417 PolarHBondContact O-N 2.88Å; S415-K417 VanDerWaalsContact O-N 3.14Å; S415-Q418 WeakPolarHBondContact O-CA 3.46Å; S415-Q418 WeakPolarHBondContact O-CB 3.38Å; S415-Q418 PolarHBondContact O-N 3.42Å; S415-Q418 WeakPolarHBondContact OG-CG 3.36Å; S415-Q418 PolarHBondContact OG-N 3.05Å; S415-C419 PolarHBondContact O-N 3.22Å; S415-G469 WeakPolarHBondContact CA-O 3.34Å; S415-G469 WeakPolarHBondContact CB-O 3.37Å
416	H	98.3	Very high	96.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-49.5	-41.7	173.7	-62.7	-69.8	0	0	0	111.9	Q418 C419 A420 M462 P467 D468 G469 E543 G564 R596	H416-Q418 PolarHBondContact O-N 2.78Å; H416-C419 WeakPolarHBondContact O-CB 3.31Å; H416-C419 PolarHBondContact O-N 3.13Å; H416-A420 PolarHBondContact O-N 3.16Å; H416-M462 HydrophobicContact CB-CE 4.03Å; H416-M462 WeakPolarHBondContact O-CE 3.44Å; H416-P467 HydrophobicContact CB-CG 4.1Å; H416-P467 WeakPolarHBondContact CB-O 3.23Å; H416-P467 PolarHBondContact CD2-O 3.23Å; H416-P467 VanDerWaalsContact CD2-O 3.29Å; H416-D468 PolarHBondContact CD2-O 3.48Å; H416-D468 VanDerWaalsContact CD2-O 3.3Å; H416-D468 PolarHBondContact NE2-O 3.23Å; H416-G469 VanDerWaalsContact CD2-C 3.44Å; H416-G469 PolarHBondContact N-O 3.49Å; H416-E543 WeakPolarHBondContact CA-OE1 3.3Å; H416-E543 WeakPolarHBondContact CB-OE1 3.32Å; H416-E543 IonicContact CE1-OE2 3.3Å; H416-E543 IonicContact CG-OE1 3.07Å; H416-E543 VanDerWaalsContact ND1-CD 3.26Å; H416-E543 IonicContact ND1-OE1 3Å; H416-E543 PolarHBondContact ND1-OE1 3.04Å; H416-E543 IonicContact ND1-OE2 3.31Å; H416-E543 PolarHBondContact ND1-OE2 3.23Å; H416-G564 PolarHBondContact CE1-O 2.84Å; H416-R596 PolarHBondContact NE2-NH1 2.88Å; H416-R596 VanDerWaalsContact NE2-NH1 3.18Å
417	K	98.4	Very high	97	Very high	78 Å²	78	16.1 Å²	16.1	34%	0.339	9%	0.093	S	C	.	.	H	α-helix	trans	-62.5	-40.6	176.1	-68	156.3	-177.6	164.3	0	112.5	I397 S415 A420 A421 M462 P466 D468	I397-K417 HydrophobicContact CD1-CB 4.25Å; I397-K417 VanDerWaalsContact CD1-O 3.3Å; I397-K417 WeakPolarHBondContact CD1-O 3.33Å; S415-K417 PolarHBondContact O-N 2.88Å; S415-K417 VanDerWaalsContact O-N 3.14Å; K417-A420 PolarHBondContact O-N 2.82Å; K417-A421 PolarHBondContact O-N 3.31Å; K417-M462 HydrophobicContact CG-CE 4.13Å; K417-P466 HydrophobicContact CD-CG 4.46Å; K417-P466 HydrophobicContact CG-CB 4.04Å; K417-P466 HydrophobicContact CG-CG 4.4Å; K417-D468 IonicContact NZ-OD1 3.82Å; K417-D468 PolarHBondContact NZ-OD1 3.18Å
418	Q	98.6	Very high	97.3	Very high	12 Å²	12	13.6 Å²	13.6	6%	0.056	7%	0.066	C	C	.	.	H	α-helix	trans	-68	-39.6	173.4	-74	174	-30	0	0	112.2	Y279 I397 L398 L414 S415 H416 A420 A421 L422	Y279-Q418 PolarHBondContact O-NE2 2.66Å; I397-Q418 HydrophobicContact CD1-CG 4.45Å; I397-Q418 HydrophobicContact CG1-CG 4.21Å; I397-Q418 WeakPolarHBondContact O-CG 3.38Å; I397-Q418 PolarHBondContact O-NE2 3.04Å; L398-Q418 HydrophobicContact CD2-CB 3.77Å; L398-Q418 HydrophobicContact CD2-CG 3.99Å; L414-Q418 HydrophobicContact CB-CB 4.09Å; L414-Q418 HydrophobicContact CD2-CB 4.21Å; S415-Q418 WeakPolarHBondContact O-CA 3.46Å; S415-Q418 WeakPolarHBondContact O-CB 3.38Å; S415-Q418 PolarHBondContact O-N 3.42Å; S415-Q418 WeakPolarHBondContact OG-CG 3.36Å; S415-Q418 PolarHBondContact OG-N 3.05Å; H416-Q418 PolarHBondContact O-N 2.78Å; Q418-A420 PolarHBondContact O-N 3.17Å; Q418-A421 PolarHBondContact O-N 2.9Å; Q418-L422 PolarHBondContact O-N 3.07Å
419	C	98.8	Very high	97.5	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.8	-47.5	173.3	-65.4	0	0	0	0	111	S415 H416 A421 L422 V423 E543 V546	S415-C419 PolarHBondContact O-N 3.22Å; H416-C419 WeakPolarHBondContact O-CB 3.31Å; H416-C419 PolarHBondContact O-N 3.13Å; C419-A421 VanDerWaalsContact C-N 3.32Å; C419-A421 PolarHBondContact O-N 3Å; C419-L422 WeakPolarHBondContact O-CB 3.15Å; C419-L422 PolarHBondContact O-N 2.93Å; C419-V423 WeakPolarHBondContact O-CG2 3.39Å; C419-V423 PolarHBondContact O-N 2.9Å; C419-E543 HydrophobicContact CB-CB 4.13Å; C419-E543 HydrophobicContact CB-CG 4.14Å; C419-V546 HydrophobicContact CB-CG2 3.88Å
420	A	98.8	Very high	97.4	Very high	2 Å²	2	15.1 Å²	15.1	2%	0.017	7%	0.07	C	C	.	.	H	α-helix	trans	-59.5	-39.5	178.2	0	0	0	0	0	113.1	I390 H416 K417 Q418 L422 V423 A424 Y458 M462	I390-A420 VanDerWaalsContact CG2-C 3.44Å; I390-A420 HydrophobicContact CG2-CB 3.77Å; I390-A420 VanDerWaalsContact CG2-O 3.3Å; I390-A420 WeakPolarHBondContact CG2-O 3.48Å; H416-A420 PolarHBondContact O-N 3.16Å; K417-A420 PolarHBondContact O-N 2.82Å; Q418-A420 PolarHBondContact O-N 3.17Å; A420-L422 VanDerWaalsContact C-N 3.33Å; A420-L422 PolarHBondContact O-N 2.91Å; A420-V423 PolarHBondContact O-N 3.27Å; A420-A424 WeakPolarHBondContact O-CB 3.4Å; A420-A424 PolarHBondContact O-N 2.79Å; A420-Y458 WeakPolarHBondContact CA-OH 3.2Å; A420-Y458 HydrophobicContact CB-CE1 4.29Å; A420-Y458 WeakPolarHBondContact CB-OH 3.44Å; A420-Y458 PolarHBondContact N-OH 3.12Å; A420-M462 HydrophobicContact CB-CB 4.09Å; A420-M462 HydrophobicContact CB-CE 3.81Å; A420-M462 HydrophobicContact CB-CG 3.88Å
421	A	98.6	Very high	97.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.9	-35.3	175.3	0	0	0	0	0	113.1	A394 I397 L398 K417 Q418 C419 R425	A394-A421 HydrophobicContact CB-CB 4.17Å; I397-A421 HydrophobicContact CD1-CB 4.01Å; I397-A421 HydrophobicContact CG1-CB 4.31Å; L398-A421 HydrophobicContact CD1-CB 4.36Å; L398-A421 HydrophobicContact CG-CB 4.43Å; K417-A421 PolarHBondContact O-N 3.31Å; Q418-A421 PolarHBondContact O-N 2.9Å; C419-A421 VanDerWaalsContact C-N 3.32Å; C419-A421 PolarHBondContact O-N 3Å; A421-R425 WeakPolarHBondContact O-CG 3.19Å; A421-R425 PolarHBondContact O-N 2.69Å
422	L	98.6	Very high	96.7	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.016	8%	0.082	C	C	.	.	H	α-helix	trans	-71.5	-47.3	174.7	-71.4	171.6	0	0	0	111.9	L304 W308 L398 I402 L414 Q418 C419 A420 A424 R425 M426 V546 L549	L304-L422 HydrophobicContact CD2-CD2 4.22Å; W308-L422 HydrophobicContact CH2-CD2 3.69Å; W308-L422 HydrophobicContact CZ2-CD2 4.02Å; W308-L422 HydrophobicContact CZ3-CD2 4.46Å; L398-L422 HydrophobicContact CD1-CD2 3.7Å; L398-L422 HydrophobicContact CD1-CG 4.03Å; L398-L422 HydrophobicContact CD2-CD1 4.36Å; L398-L422 HydrophobicContact CD2-CD2 4.42Å; L398-L422 HydrophobicContact CD2-CG 4.04Å; I402-L422 HydrophobicContact CD1-CD1 4.26Å; I402-L422 HydrophobicContact CD1-CD2 4.02Å; L414-L422 HydrophobicContact CD2-CD1 3.63Å; Q418-L422 PolarHBondContact O-N 3.07Å; C419-L422 WeakPolarHBondContact O-CB 3.15Å; C419-L422 PolarHBondContact O-N 2.93Å; A420-L422 VanDerWaalsContact C-N 3.33Å; A420-L422 PolarHBondContact O-N 2.91Å; L422-A424 VanDerWaalsContact C-N 3.35Å; L422-A424 PolarHBondContact O-N 2.85Å; L422-R425 WeakPolarHBondContact O-CB 3.21Å; L422-R425 PolarHBondContact O-N 3.44Å; L422-M426 PolarHBondContact O-N 3.26Å; L422-V546 HydrophobicContact CB-CG2 4.11Å; L422-V546 HydrophobicContact CD1-CG1 3.73Å; L422-V546 HydrophobicContact CD1-CG2 4.29Å; L422-L549 HydrophobicContact CB-CD1 3.96Å; L422-L549 HydrophobicContact CD2-CD1 4.43Å
423	V	98.7	Very high	96.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.3	-37.2	178.9	-173.8	0	0	0	0	110.9	C419 A420 R425 M426 F437 Y458 F459 P542 M545 V546	C419-V423 WeakPolarHBondContact O-CG2 3.39Å; C419-V423 PolarHBondContact O-N 2.9Å; A420-V423 PolarHBondContact O-N 3.27Å; V423-R425 PolarHBondContact O-N 3.27Å; V423-M426 HydrophobicContact CG1-SD 4.33Å; V423-M426 VanDerWaalsContact O-CB 3.31Å; V423-M426 WeakPolarHBondContact O-CB 3.26Å; V423-M426 PolarHBondContact O-N 3.49Å; V423-F437 HydrophobicContact CG1-CE2 3.93Å; V423-F437 HydrophobicContact CG1-CZ 3.85Å; V423-F437 WeakPolarHBondContact O-CE2 3.26Å; V423-Y458 HydrophobicContact CB-CE1 4.21Å; V423-Y458 HydrophobicContact CG1-CE1 4.3Å; V423-F459 HydrophobicContact CB-CZ 4.26Å; V423-F459 HydrophobicContact CG1-CZ 3.94Å; V423-P542 WeakPolarHBondContact CG2-O 2.92Å; V423-M545 HydrophobicContact CG1-SD 4.26Å; V423-M545 HydrophobicContact CG2-CB 4.31Å; V423-V546 HydrophobicContact CG2-CG2 3.84Å
424	A	98.6	Very high	96	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.1	-28.8	172.7	0	0	0	0	0	112.7	V387 I390 A391 A420 L422 M426 F427 F428 F459	V387-A424 HydrophobicContact CG1-CB 4.23Å; I390-A424 HydrophobicContact CB-CB 4.1Å; I390-A424 HydrophobicContact CG2-CB 3.71Å; A391-A424 HydrophobicContact CB-CB 3.88Å; A420-A424 WeakPolarHBondContact O-CB 3.4Å; A420-A424 PolarHBondContact O-N 2.79Å; L422-A424 VanDerWaalsContact C-N 3.35Å; L422-A424 PolarHBondContact O-N 2.85Å; A424-M426 VanDerWaalsContact C-N 3.3Å; A424-M426 PolarHBondContact O-N 3.01Å; A424-F427 PolarHBondContact O-N 3.26Å; A424-F428 VanDerWaalsContact O-CD2 3.29Å; A424-F428 WeakPolarHBondContact O-CD2 3.49Å; A424-F459 HydrophobicContact CB-CD1 4.38Å; A424-F459 HydrophobicContact CB-CE1 3.63Å; A424-F459 HydrophobicContact CB-CZ 4.04Å
425	R	97.2	Very high	95.8	Very high	32 Å²	32	24.5 Å²	24.5	12%	0.121	13%	0.127	C	C	.	.	H	α-helix	trans	-73.5	-18.7	174.4	-72.8	-76.1	175.5	163.6	0.6	113.2	W308 A391 A394 A421 L422 V423 F427 F428 A429	W308-R425 HydrophobicContact CE3-CG 4.28Å; A391-R425 HydrophobicContact CB-CG 4.48Å; A391-R425 PolarHBondContact O-NE 2.83Å; A391-R425 PolarHBondContact O-NH2 3.04Å; A394-R425 HydrophobicContact CB-CG 4.3Å; A421-R425 WeakPolarHBondContact O-CG 3.19Å; A421-R425 PolarHBondContact O-N 2.69Å; L422-R425 WeakPolarHBondContact O-CB 3.21Å; L422-R425 PolarHBondContact O-N 3.44Å; V423-R425 PolarHBondContact O-N 3.27Å; R425-F427 VanDerWaalsContact C-N 3.29Å; R425-F427 PolarHBondContact O-N 2.94Å; R425-F428 CarbonylContact O-C 3.57Å; R425-F428 PolarHBondContact O-N 3.43Å; R425-A429 PolarHBondContact O-N 3.38Å
426	M	97.8	Very high	95.6	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.02	12%	0.119	C	C	.	.	H	α-helix	trans	-68.5	-23.6	173.9	-64.1	168.8	63	0	0	112.9	L422 V423 A424 F428 F435 F437 L527 M545 L549	L422-M426 PolarHBondContact O-N 3.26Å; V423-M426 HydrophobicContact CG1-SD 4.33Å; V423-M426 VanDerWaalsContact O-CB 3.31Å; V423-M426 WeakPolarHBondContact O-CB 3.26Å; V423-M426 PolarHBondContact O-N 3.49Å; A424-M426 VanDerWaalsContact C-N 3.3Å; A424-M426 PolarHBondContact O-N 3.01Å; M426-F428 PolarHBondContact O-N 3.01Å; M426-F435 VanDerWaalsContact CB-O 3.29Å; M426-F435 WeakPolarHBondContact CB-O 3.12Å; M426-F435 HydrophobicContact CE-CB 4.42Å; M426-F435 WeakPolarHBondContact CG-O 3.36Å; M426-F437 HydrophobicContact CB-CD2 3.6Å; M426-F437 HydrophobicContact CB-CE2 3.58Å; M426-F437 HydrophobicContact CB-CG 4.39Å; M426-F437 HydrophobicContact CB-CZ 4.34Å; M426-F437 HydrophobicContact CE-CE1 4.39Å; M426-F437 HydrophobicContact CE-CZ 4.17Å; M426-F437 PolarHBondContact O-N 3.43Å; M426-L527 HydrophobicContact CE-CD1 3.93Å; M426-L527 HydrophobicContact CE-CD2 3.78Å; M426-M545 HydrophobicContact CE-CB 4.3Å; M426-M545 HydrophobicContact SD-CB 4.25Å; M426-L549 HydrophobicContact CG-CD2 4.39Å; M426-L549 HydrophobicContact SD-CD1 4.48Å; M426-L549 HydrophobicContact SD-CD2 4.45Å
427	F	97.5	Very high	95.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-31.3	168.1	-88.5	-100.9	0	0	0	111.7	F343 L347 W351 V387 A424 R425 F437 L441 L452 F456 F459	F343-F427 HydrophobicContact CZ-CD1 4.18Å; F343-F427 HydrophobicContact CZ-CE1 4.5Å; L347-F427 HydrophobicContact CD2-CB 4.23Å; L347-F427 HydrophobicContact CD2-CD1 4.28Å; L347-F427 VanDerWaalsContact CD2-O 3.29Å; L347-F427 WeakPolarHBondContact CD2-O 3.36Å; W351-F427 PolarHBondContact NE1-O 3.02Å; V387-F427 HydrophobicContact CG1-CB 4.29Å; V387-F427 HydrophobicContact CG1-CD2 3.9Å; V387-F427 HydrophobicContact CG1-CE2 4.45Å; V387-F427 HydrophobicContact CG1-CG 3.98Å; A424-F427 PolarHBondContact O-N 3.26Å; R425-F427 VanDerWaalsContact C-N 3.29Å; R425-F427 PolarHBondContact O-N 2.94Å; F427-F437 AromaticContact CD2-CD2 3.23Å; F427-F437 HydrophobicContact CD2-CD2 3.23Å; F427-F437 AromaticContact CD2-CE2 3.66Å; F427-F437 HydrophobicContact CD2-CE2 3.66Å; F427-F437 HydrophobicContact CD2-CG 4.23Å; F427-F437 AromaticContact CE2-CD2 3.39Å; F427-F437 HydrophobicContact CE2-CD2 3.39Å; F427-F437 AromaticContact CE2-CE2 3.63Å; F427-F437 HydrophobicContact CE2-CE2 3.63Å; F427-F437 HydrophobicContact CE2-CG 4.16Å; F427-F437 AromaticContact CG-CD2 3.98Å; F427-F437 HydrophobicContact CG-CD2 3.98Å; F427-F437 HydrophobicContact CZ-CD2 4.3Å; F427-L441 HydrophobicContact CD1-CD1 4.05Å; F427-L441 HydrophobicContact CE1-CD1 4.24Å; F427-L441 HydrophobicContact CE1-CD2 3.96Å; F427-L452 HydrophobicContact CZ-CD2 4.33Å; F427-F456 HydrophobicContact CE1-CE1 4.18Å; F427-F456 AromaticContact CE1-CZ 3.85Å; F427-F456 HydrophobicContact CE1-CZ 3.85Å; F427-F456 HydrophobicContact CZ-CE1 4.14Å; F427-F456 AromaticContact CZ-CZ 3.99Å; F427-F456 HydrophobicContact CZ-CZ 3.99Å; F427-F459 HydrophobicContact CD2-CE2 4.21Å; F427-F459 AromaticContact CE2-CE2 3.71Å; F427-F459 HydrophobicContact CE2-CE2 3.71Å; F427-F459 HydrophobicContact CE2-CZ 4.44Å
428	F	95.4	Very high	95.4	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.009	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	9	-173.3	-54.6	-62.2	0	0	0	113.1	R307 L328 F343 L346 L347 M350 V387 A391 A424 R425 M426	R307-F428 PolarHBondContact NH1-O 3.23Å; L328-F428 HydrophobicContact CD2-CE2 4.3Å; L328-F428 HydrophobicContact CD2-CZ 4.22Å; F343-F428 HydrophobicContact CE2-CE1 4.49Å; F343-F428 HydrophobicContact CE2-CZ 4.28Å; L346-F428 HydrophobicContact CD2-CE1 3.72Å; L346-F428 HydrophobicContact CD2-CZ 3.96Å; L346-F428 HydrophobicContact CG-CE1 3.89Å; L347-F428 HydrophobicContact CD2-CD1 3.97Å; L347-F428 HydrophobicContact CD2-CE1 3.79Å; M350-F428 HydrophobicContact CB-CB 4Å; M350-F428 HydrophobicContact CB-CD1 3.78Å; M350-F428 HydrophobicContact CB-CG 4.29Å; M350-F428 HydrophobicContact CE-CB 3.74Å; M350-F428 HydrophobicContact CE-CD1 4.14Å; M350-F428 HydrophobicContact CE-CD2 4.48Å; M350-F428 HydrophobicContact CE-CG 3.85Å; M350-F428 HydrophobicContact CG-CB 4.46Å; M350-F428 HydrophobicContact CG-CD1 3.69Å; M350-F428 HydrophobicContact CG-CE1 4.34Å; M350-F428 HydrophobicContact CG-CG 4.32Å; V387-F428 HydrophobicContact CG1-CE2 4.27Å; A391-F428 HydrophobicContact CB-CD2 3.73Å; A391-F428 HydrophobicContact CB-CE2 3.55Å; A424-F428 VanDerWaalsContact O-CD2 3.29Å; A424-F428 WeakPolarHBondContact O-CD2 3.49Å; R425-F428 CarbonylContact O-C 3.57Å; R425-F428 PolarHBondContact O-N 3.43Å; M426-F428 PolarHBondContact O-N 3.01Å
429	A	93.1	Very high	95.2	Very high	15 Å²	15	22 Å²	22	12%	0.124	11%	0.111	C	C	.	.	S	Bend	trans	-74.9	139.2	168.2	0	0	0	0	0	109.7	W351 R425 S436	W351-A429 PolarHBondContact NE1-O 2.87Å; R425-A429 PolarHBondContact O-N 3.38Å; A429-S436 PolarHBondContact O-OG 3.38Å
430	R	91	Very high	95.1	Very high	88 Å²	88	22 Å²	22	33%	0.332	11%	0.111	S	C	.	.			trans	-55	152.2	179.9	-66.7	172.8	50.6	84.6	0.9	111.6	D432 S433 S436	R430-D432 WeakPolarHBondContact CB-OD1 3.31Å; R430-D432 IonicContact CZ-OD1 2.71Å; R430-D432 IonicContact CZ-OD2 2.71Å; R430-D432 VanDerWaalsContact CZ-OD2 3.3Å; R430-D432 IonicContact NE-OD1 3.74Å; R430-D432 PolarHBondContact NE-OD1 2.88Å; R430-D432 IonicContact NE-OD2 2.67Å; R430-D432 PolarHBondContact NE-OD2 3.3Å; R430-D432 IonicContact NH2-OD1 3.74Å; R430-D432 IonicContact NH2-OD2 3.76Å; R430-D432 PolarHBondContact NH2-OD2 3.42Å; R430-D432 PolarHBondContact O-N 3.18Å; R430-S433 WeakPolarHBondContact O-CB 3.43Å; R430-S433 PolarHBondContact O-N 3.4Å; R430-S436 VanDerWaalsContact O-CB 3.22Å; R430-S436 WeakPolarHBondContact O-CB 3.16Å; R430-S436 PolarHBondContact O-OG 2.84Å
431	P	90.1	Very high	95.1	Very high	11 Å²	11	21.9 Å²	21.9	7%	0.071	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-22.3	-179.3	-26	35.5	0	0	0	115.4	L8 W351 Y359 S433 C438	L8-P431 HydrophobicContact CD1-CB 3.82Å; L8-P431 HydrophobicContact CD2-CB 4.4Å; W351-P431 HydrophobicContact CB-CG 4.31Å; W351-P431 HydrophobicContact CD2-CG 4.08Å; W351-P431 HydrophobicContact CE3-CG 4.02Å; W351-P431 HydrophobicContact CG-CG 4.2Å; Y359-P431 HydrophobicContact CD2-CG 4.4Å; Y359-P431 HydrophobicContact CE2-CB 4.47Å; Y359-P431 HydrophobicContact CE2-CG 3.79Å; P431-S433 VanDerWaalsContact C-N 3.33Å; P431-C438 HydrophobicContact CB-CB 4.22Å; P431-C438 HydrophobicContact CG-CB 4.37Å
432	D	88.4	Confident	94.9	Very high	83 Å²	83	23.8 Å²	23.8	44%	0.444	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-6	173.2	59.1	-0.8	0	0	0	113.5	R430	R430-D432 WeakPolarHBondContact CB-OD1 3.31Å; R430-D432 IonicContact CZ-OD1 2.71Å; R430-D432 IonicContact CZ-OD2 2.71Å; R430-D432 VanDerWaalsContact CZ-OD2 3.3Å; R430-D432 IonicContact NE-OD1 3.74Å; R430-D432 PolarHBondContact NE-OD1 2.88Å; R430-D432 IonicContact NE-OD2 2.67Å; R430-D432 PolarHBondContact NE-OD2 3.3Å; R430-D432 IonicContact NH2-OD1 3.74Å; R430-D432 IonicContact NH2-OD2 3.76Å; R430-D432 PolarHBondContact NH2-OD2 3.42Å; R430-D432 PolarHBondContact O-N 3.18Å
433	S	90.8	Very high	94.7	Very high	29 Å²	29	23.9 Å²	23.9	20%	0.203	12%	0.124	C	C	.	.	S	Bend	trans	-78.4	126.8	171.3	172.4	0	0	0	0	109.8	R430 P431 F435 S436	R430-S433 WeakPolarHBondContact O-CB 3.43Å; R430-S433 PolarHBondContact O-N 3.4Å; P431-S433 VanDerWaalsContact C-N 3.33Å; S433-F435 PolarHBondContact O-N 2.93Å; S433-F435 VanDerWaalsContact O-N 3.08Å; S433-F435 PolarHBondContact OG-N 3.01Å; S433-S436 WeakPolarHBondContact O-CB 3.34Å; S433-S436 PolarHBondContact O-N 3.22Å
434	P	90.3	Very high	94.6	Very high	76 Å²	76	28.8 Å²	28.8	49%	0.494	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.8	175.9	25.3	-34.3	0	0	0	112	S436 L527	P434-S436 VanDerWaalsContact C-N 3.33Å; P434-S436 PolarHBondContact O-N 3.47Å; P434-L527 VanDerWaalsContact O-CD1 3.26Å; P434-L527 WeakPolarHBondContact O-CD1 3.43Å
435	F	94.1	Very high	94.4	Very high	56 Å²	56	33.5 Å²	33.5	25%	0.246	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	19.5	177.5	-44.2	-61.1	0	0	0	114.7	M426 S433 M548 L549	M426-F435 VanDerWaalsContact CB-O 3.29Å; M426-F435 WeakPolarHBondContact CB-O 3.12Å; M426-F435 HydrophobicContact CE-CB 4.42Å; M426-F435 WeakPolarHBondContact CG-O 3.36Å; S433-F435 PolarHBondContact O-N 2.93Å; S433-F435 VanDerWaalsContact O-N 3.08Å; S433-F435 PolarHBondContact OG-N 3.01Å; F435-M548 HydrophobicContact CD1-CB 4.07Å; F435-M548 HydrophobicContact CE1-CB 4.06Å; F435-M548 WeakPolarHBondContact CE1-O 3.44Å; F435-M548 WeakPolarHBondContact CZ-O 3.39Å; F435-L549 HydrophobicContact CB-CD2 3.6Å; F435-L549 HydrophobicContact CD1-CD2 4.11Å; F435-L549 HydrophobicContact CD2-CD2 3.81Å; F435-L549 HydrophobicContact CG-CD2 3.57Å
436	S	94.9	Very high	94.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.			trans	-92.5	130.7	-180	-173.4	0	0	0	0	112.5	A429 R430 S433 P434 C438	A429-S436 PolarHBondContact O-OG 3.38Å; R430-S436 VanDerWaalsContact O-CB 3.22Å; R430-S436 WeakPolarHBondContact O-CB 3.16Å; R430-S436 PolarHBondContact O-OG 2.84Å; S433-S436 WeakPolarHBondContact O-CB 3.34Å; S433-S436 PolarHBondContact O-N 3.22Å; P434-S436 VanDerWaalsContact C-N 3.33Å; P434-S436 PolarHBondContact O-N 3.47Å; S436-C438 PolarHBondContact O-N 2.84Å; S436-C438 VanDerWaalsContact O-N 3.14Å; S436-C438 VanDerWaalsContact OG-CB 3.27Å; S436-C438 WeakPolarHBondContact OG-CB 3.42Å; S436-C438 PolarHBondContact OG-N 3.07Å; S436-C438 VanDerWaalsContact OG-N 3.11Å
437	F	97.5	Very high	94.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-3	168.2	-71	-55.4	0	0	0	113.4	V423 M426 F427 R439 I440 L441 L455 L527 M545	V423-F437 HydrophobicContact CG1-CE2 3.93Å; V423-F437 HydrophobicContact CG1-CZ 3.85Å; V423-F437 WeakPolarHBondContact O-CE2 3.26Å; M426-F437 HydrophobicContact CB-CD2 3.6Å; M426-F437 HydrophobicContact CB-CE2 3.58Å; M426-F437 HydrophobicContact CB-CG 4.39Å; M426-F437 HydrophobicContact CB-CZ 4.34Å; M426-F437 HydrophobicContact CE-CE1 4.39Å; M426-F437 HydrophobicContact CE-CZ 4.17Å; M426-F437 PolarHBondContact O-N 3.43Å; F427-F437 AromaticContact CD2-CD2 3.23Å; F427-F437 HydrophobicContact CD2-CD2 3.23Å; F427-F437 AromaticContact CD2-CE2 3.66Å; F427-F437 HydrophobicContact CD2-CE2 3.66Å; F427-F437 HydrophobicContact CD2-CG 4.23Å; F427-F437 AromaticContact CE2-CD2 3.39Å; F427-F437 HydrophobicContact CE2-CD2 3.39Å; F427-F437 AromaticContact CE2-CE2 3.63Å; F427-F437 HydrophobicContact CE2-CE2 3.63Å; F427-F437 HydrophobicContact CE2-CG 4.16Å; F427-F437 AromaticContact CG-CD2 3.98Å; F427-F437 HydrophobicContact CG-CD2 3.98Å; F427-F437 HydrophobicContact CZ-CD2 4.3Å; F437-R439 PolarHBondContact O-N 2.83Å; F437-R439 VanDerWaalsContact O-N 3.11Å; F437-I440 HydrophobicContact CD1-CD1 3.63Å; F437-I440 HydrophobicContact CD1-CG1 4.31Å; F437-I440 HydrophobicContact CE1-CD1 4.08Å; F437-I440 PolarHBondContact O-N 3.12Å; F437-I440 VanDerWaalsContact O-N 3.12Å; F437-L441 HydrophobicContact CB-CD1 4.22Å; F437-L441 VanDerWaalsContact O-CG 3.24Å; F437-L441 WeakPolarHBondContact O-CG 3.42Å; F437-L441 PolarHBondContact O-N 3.33Å; F437-L455 HydrophobicContact CD1-CD1 3.89Å; F437-L455 HydrophobicContact CE1-CD1 3.54Å; F437-L455 HydrophobicContact CE1-CD2 3.96Å; F437-L455 HydrophobicContact CE1-CG 4.43Å; F437-L455 HydrophobicContact CE2-CD1 4.44Å; F437-L455 HydrophobicContact CE2-CD2 4.42Å; F437-L455 HydrophobicContact CG-CD1 4.48Å; F437-L455 HydrophobicContact CZ-CD1 3.85Å; F437-L455 HydrophobicContact CZ-CD2 3.61Å; F437-L455 HydrophobicContact CZ-CG 4.4Å; F437-L527 HydrophobicContact CD1-CD2 3.49Å; F437-L527 VanDerWaalsContact CD1-CD2 3.49Å; F437-L527 HydrophobicContact CE1-CD2 3.33Å; F437-L527 HydrophobicContact CZ-CD2 4.33Å; F437-M545 HydrophobicContact CE1-CE 4.45Å; F437-M545 HydrophobicContact CE1-SD 3.84Å; F437-M545 HydrophobicContact CZ-SD 3.63Å
438	C	95	Very high	94.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-48.2	-40.8	175.5	-175.4	0	0	0	0	112	W351 P431 S436 L441 S442	W351-C438 HydrophobicContact CH2-CB 4.02Å; W351-C438 HydrophobicContact CZ2-CB 3.88Å; P431-C438 HydrophobicContact CB-CB 4.22Å; P431-C438 HydrophobicContact CG-CB 4.37Å; S436-C438 PolarHBondContact O-N 2.84Å; S436-C438 VanDerWaalsContact O-N 3.14Å; S436-C438 VanDerWaalsContact OG-CB 3.27Å; S436-C438 WeakPolarHBondContact OG-CB 3.42Å; S436-C438 PolarHBondContact OG-N 3.07Å; S436-C438 VanDerWaalsContact OG-N 3.11Å; C438-L441 PolarHBondContact O-N 3.26Å; C438-S442 WeakPolarHBondContact O-CB 3.38Å; C438-S442 PolarHBondContact O-N 2.98Å; C438-S442 PolarHBondContact O-OG 2.72Å
439	R	93.9	Very high	94.4	Very high	61 Å²	61	35.8 Å²	35.8	23%	0.23	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-42	-178.5	-54.7	-173.1	-172	176.6	-2.7	113.1	F437 S442 S443 L527 N528	F437-R439 PolarHBondContact O-N 2.83Å; F437-R439 VanDerWaalsContact O-N 3.11Å; R439-S442 PolarHBondContact O-OG 2.82Å; R439-S443 PolarHBondContact O-N 3.25Å; R439-L527 WeakPolarHBondContact CB-O 3.29Å; R439-N528 WeakPolarHBondContact CB-OD1 3.41Å; R439-N528 WeakPolarHBondContact CD-OD1 3.36Å; R439-N528 PolarHBondContact NH1-ND2 2.83Å
440	I	97.4	Very high	94.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-51.9	169.2	-54.5	-171.4	0	0	0	109.7	A363 F437 S442 S443 C448 K451 L452 L455 L527	A363-I440 WeakPolarHBondContact CB-O 3.31Å; F437-I440 HydrophobicContact CD1-CD1 3.63Å; F437-I440 HydrophobicContact CD1-CG1 4.31Å; F437-I440 HydrophobicContact CE1-CD1 4.08Å; F437-I440 PolarHBondContact O-N 3.12Å; F437-I440 VanDerWaalsContact O-N 3.12Å; I440-S442 VanDerWaalsContact C-N 3.31Å; I440-S442 PolarHBondContact O-N 2.71Å; I440-S443 PolarHBondContact O-N 2.75Å; I440-C448 HydrophobicContact CG2-CB 3.74Å; I440-C448 WeakPolarHBondContact O-CB 3.31Å; I440-K451 HydrophobicContact CD1-CB 4.26Å; I440-K451 HydrophobicContact CD1-CD 4.02Å; I440-K451 HydrophobicContact CG2-CB 4.14Å; I440-L452 HydrophobicContact CG2-CD2 4.16Å; I440-L452 HydrophobicContact CG2-CG 4.09Å; I440-L455 HydrophobicContact CD1-CD1 4.01Å; I440-L527 WeakPolarHBondContact CG1-O 3.32Å; I440-L527 PolarHBondContact N-O 2.78Å
441	L	97.6	Very high	95	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-34.3	-172.3	-63.2	164.5	0	0	0	112.6	L347 W351 L361 A363 L364 F427 F437 C438 L452	L347-L441 HydrophobicContact CD1-CD1 4.26Å; W351-L441 HydrophobicContact CH2-CD1 4.35Å; W351-L441 HydrophobicContact CZ2-CD1 4Å; L361-L441 CarbonylContact C-O 3.5Å; L361-L441 WeakPolarHBondContact CA-O 3.26Å; L361-L441 HydrophobicContact CD2-CB 4.02Å; A363-L441 PolarHBondContact N-O 3.39Å; L364-L441 HydrophobicContact CB-CD2 3.9Å; L364-L441 HydrophobicContact CD1-CD2 3.81Å; L364-L441 HydrophobicContact CD2-CD2 4.15Å; L364-L441 HydrophobicContact CG-CD2 4.14Å; F427-L441 HydrophobicContact CD1-CD1 4.05Å; F427-L441 HydrophobicContact CE1-CD1 4.24Å; F427-L441 HydrophobicContact CE1-CD2 3.96Å; F437-L441 HydrophobicContact CB-CD1 4.22Å; F437-L441 VanDerWaalsContact O-CG 3.24Å; F437-L441 WeakPolarHBondContact O-CG 3.42Å; F437-L441 PolarHBondContact O-N 3.33Å; C438-L441 PolarHBondContact O-N 3.26Å; L441-L452 HydrophobicContact CD2-CD1 4.21Å; L441-L452 HydrophobicContact CD2-CD2 3.66Å
442	S	95.1	Very high	95.4	Very high	39 Å²	39	30.8 Å²	30.8	27%	0.273	17%	0.168	S	C	.	.	H	α-helix	trans	-87.4	-7.2	-179.6	65.1	0	0	0	0	115	K360 P362 C438 R439 I440	K360-S442 WeakPolarHBondContact O-CB 2.94Å; P362-S442 WeakPolarHBondContact CD-O 3.1Å; P362-S442 WeakPolarHBondContact CG-O 3.42Å; C438-S442 WeakPolarHBondContact O-CB 3.38Å; C438-S442 PolarHBondContact O-N 2.98Å; C438-S442 PolarHBondContact O-OG 2.72Å; R439-S442 PolarHBondContact O-OG 2.82Å; I440-S442 VanDerWaalsContact C-N 3.31Å; I440-S442 PolarHBondContact O-N 2.71Å
443	S	95.2	Very high	95.9	Very high	5 Å²	5	28 Å²	28	4%	0.035	15%	0.152	C	C	.	.			trans	-77.2	143.8	-175.6	-173.2	0	0	0	0	113.2	P362 A363 R439 I440 K445 C448 H529	P362-S443 WeakPolarHBondContact CG-O 3.32Å; A363-S443 WeakPolarHBondContact CB-O 3.49Å; A363-S443 PolarHBondContact N-O 2.91Å; A363-S443 VanDerWaalsContact N-O 3.13Å; R439-S443 PolarHBondContact O-N 3.25Å; I440-S443 PolarHBondContact O-N 2.75Å; S443-K445 VanDerWaalsContact C-N 3.33Å; S443-K445 PolarHBondContact OG-N 3.48Å; S443-K445 VanDerWaalsContact OG-N 3.16Å; S443-C448 VanDerWaalsContact CB-SG 3.54Å; S443-H529 WeakPolarHBondContact CB-NE2 3.46Å; S443-H529 PolarHBondContact OG-NE2 3.07Å
444	D	94.8	Very high	96.3	Very high	103 Å²	103	26.6 Å²	26.6	55%	0.551	14%	0.142	S	C	*	.			trans	-78.7	-12.1	170.1	67.8	-41.3	0	0	0	113.8
445	K	94.6	Very high	96.7	Very high	99 Å²	99	23 Å²	23	43%	0.43	12%	0.119	S	C	.	.			trans	-80.7	129.6	-172.3	-53.9	-60.5	-176.5	-86.8	0	111	S443 I447 C448	S443-K445 VanDerWaalsContact C-N 3.33Å; S443-K445 PolarHBondContact OG-N 3.48Å; S443-K445 VanDerWaalsContact OG-N 3.16Å; K445-I447 HydrophobicContact CB-CG2 3.79Å; K445-I447 PolarHBondContact O-N 2.74Å; K445-I447 VanDerWaalsContact O-N 3.11Å; K445-C448 WeakPolarHBondContact O-CB 3.35Å; K445-C448 PolarHBondContact O-N 3.28Å
446	S	94.9	Very high	96.9	Very high	72 Å²	72	20.3 Å²	20.3	50%	0.503	11%	0.107	S	C	.	.	H	α-helix	trans	-56.3	-29	-180	54.5	0	0	0	0	114.1	C448 V449 E450	S446-C448 PolarHBondContact O-N 3.21Å; S446-V449 WeakPolarHBondContact O-CB 3.35Å; S446-V449 PolarHBondContact O-N 3.24Å; S446-E450 PolarHBondContact O-N 2.8Å
447	I	96.6	Very high	97.1	Very high	14 Å²	14	22 Å²	22	7%	0.072	12%	0.117	C	C	.	.	H	α-helix	trans	-54.5	-35.4	171.9	-172.8	58.4	0	0	0	112.6	K445 V449 E450 K451 L578	K445-I447 HydrophobicContact CB-CG2 3.79Å; K445-I447 PolarHBondContact O-N 2.74Å; K445-I447 VanDerWaalsContact O-N 3.11Å; I447-V449 VanDerWaalsContact C-N 3.33Å; I447-V449 PolarHBondContact O-N 2.92Å; I447-E450 WeakPolarHBondContact O-CB 3.36Å; I447-E450 PolarHBondContact O-N 3.11Å; I447-K451 WeakPolarHBondContact O-CG 3.46Å; I447-K451 PolarHBondContact O-N 2.99Å; I447-L578 HydrophobicContact CD1-CB 3.7Å; I447-L578 HydrophobicContact CD1-CD2 3.96Å; I447-L578 HydrophobicContact CD1-CG 4.14Å
448	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	-71.5	-28.1	179.5	-66.4	0	0	0	0	112.4	A363 I440 S443 K445 S446 K451 L452	A363-C448 HydrophobicContact CB-CB 3.87Å; I440-C448 HydrophobicContact CG2-CB 3.74Å; I440-C448 WeakPolarHBondContact O-CB 3.31Å; S443-C448 VanDerWaalsContact CB-SG 3.54Å; K445-C448 WeakPolarHBondContact O-CB 3.35Å; K445-C448 PolarHBondContact O-N 3.28Å; S446-C448 PolarHBondContact O-N 3.21Å; C448-K451 PolarHBondContact O-N 3.15Å; C448-L452 WeakPolarHBondContact O-CG 3.43Å; C448-L452 PolarHBondContact O-N 2.69Å
449	V	98.4	Very high	97.3	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-68.5	-38.3	171.1	178.6	0	0	0	0	111	A363 M366 S446 I447 L452 K453	A363-V449 HydrophobicContact CB-CG2 4.15Å; M366-V449 HydrophobicContact CB-CG2 3.88Å; M366-V449 HydrophobicContact CE-CG2 3.47Å; M366-V449 VanDerWaalsContact CE-CG2 3.47Å; M366-V449 HydrophobicContact CG-CG2 4Å; S446-V449 WeakPolarHBondContact O-CB 3.35Å; S446-V449 PolarHBondContact O-N 3.24Å; I447-V449 VanDerWaalsContact C-N 3.33Å; I447-V449 PolarHBondContact O-N 2.92Å; V449-L452 PolarHBondContact O-N 3.04Å; V449-K453 PolarHBondContact O-N 3.47Å
450	E	98.4	Very high	97.5	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-64.7	-44.5	172.8	-60	-62.1	146.6	0	0	111.2	S446 I447 L452 K453 F454 K579 W580	S446-E450 PolarHBondContact O-N 2.8Å; I447-E450 WeakPolarHBondContact O-CB 3.36Å; I447-E450 PolarHBondContact O-N 3.11Å; E450-L452 VanDerWaalsContact C-N 3.26Å; E450-L452 PolarHBondContact O-N 3.21Å; E450-K453 WeakPolarHBondContact O-CA 3.41Å; E450-K453 WeakPolarHBondContact O-CB 3.2Å; E450-K453 PolarHBondContact O-N 2.82Å; E450-K453 IonicContact OE1-NZ 3.67Å; E450-K453 PolarHBondContact OE1-NZ 2.83Å; E450-K453 IonicContact OE2-NZ 2.71Å; E450-F454 VanDerWaalsContact O-CD2 3.23Å; E450-F454 WeakPolarHBondContact O-CD2 3.44Å; E450-F454 PolarHBondContact O-N 2.79Å; E450-K579 HydrophobicContact CG-CD 3.75Å; E450-K579 WeakPolarHBondContact OE1-CD 3.43Å; E450-K579 IonicContact OE1-NZ 2.71Å; E450-K579 PolarHBondContact OE1-NZ 2.86Å; E450-K579 WeakPolarHBondContact OE2-CD 3.41Å; E450-W580 PolarHBondContact OE2-N 2.85Å
451	K	98.7	Very high	97.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-55.1	-39.4	172.6	-68.4	-169.3	176.2	-170.1	0	112.9	I440 I447 C448 K453 F454 L455 G525 V526 N528 G530 L539	I440-K451 HydrophobicContact CD1-CB 4.26Å; I440-K451 HydrophobicContact CD1-CD 4.02Å; I440-K451 HydrophobicContact CG2-CB 4.14Å; I447-K451 WeakPolarHBondContact O-CG 3.46Å; I447-K451 PolarHBondContact O-N 2.99Å; C448-K451 PolarHBondContact O-N 3.15Å; K451-K453 VanDerWaalsContact C-N 3.33Å; K451-K453 PolarHBondContact O-N 3.42Å; K451-F454 PolarHBondContact O-N 3.14Å; K451-L455 WeakPolarHBondContact O-CG 3.39Å; K451-L455 PolarHBondContact O-N 2.62Å; K451-G525 PolarHBondContact NZ-O 3.18Å; K451-V526 VanDerWaalsContact NZ-C 3.34Å; K451-V526 PolarHBondContact NZ-O 3.45Å; K451-N528 PolarHBondContact NZ-O 3.27Å; K451-G530 WeakPolarHBondContact CE-O 3.16Å; K451-G530 PolarHBondContact NZ-O 3.28Å; K451-L539 HydrophobicContact CB-CD2 3.93Å; K451-L539 HydrophobicContact CD-CD1 4.27Å; K451-L539 HydrophobicContact CD-CD2 4.31Å; K451-L539 HydrophobicContact CG-CD1 3.8Å; K451-L539 HydrophobicContact CG-CD2 3.86Å; K451-L539 HydrophobicContact CG-CG 4.49Å
452	L	98.8	Very high	97.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.2	-33.7	174.7	-68.6	173.2	0	0	0	112.4	A363 L364 Y367 F427 I440 L441 C448 V449 E450 L455 F456	A363-L452 HydrophobicContact CB-CD1 4.17Å; L364-L452 HydrophobicContact CB-CD1 4.49Å; L364-L452 HydrophobicContact CD1-CD1 4.42Å; Y367-L452 HydrophobicContact CD2-CB 3.63Å; Y367-L452 HydrophobicContact CE2-CB 4.16Å; Y367-L452 HydrophobicContact CG-CB 3.99Å; Y367-L452 HydrophobicContact CG-CD1 4.29Å; F427-L452 HydrophobicContact CZ-CD2 4.33Å; I440-L452 HydrophobicContact CG2-CD2 4.16Å; I440-L452 HydrophobicContact CG2-CG 4.09Å; L441-L452 HydrophobicContact CD2-CD1 4.21Å; L441-L452 HydrophobicContact CD2-CD2 3.66Å; C448-L452 WeakPolarHBondContact O-CG 3.43Å; C448-L452 PolarHBondContact O-N 2.69Å; V449-L452 PolarHBondContact O-N 3.04Å; E450-L452 VanDerWaalsContact C-N 3.26Å; E450-L452 PolarHBondContact O-N 3.21Å; L452-L455 PolarHBondContact O-N 2.82Å; L452-F456 HydrophobicContact CB-CD2 4.06Å; L452-F456 HydrophobicContact CB-CE2 3.99Å; L452-F456 HydrophobicContact CD2-CE2 3.89Å; L452-F456 HydrophobicContact CG-CE2 4.37Å; L452-F456 WeakPolarHBondContact O-CB 3.48Å; L452-F456 WeakPolarHBondContact O-CD2 3.37Å; L452-F456 PolarHBondContact O-N 3.34Å
453	K	98.8	Very high	97.8	Very high	25 Å²	25	24 Å²	24	11%	0.109	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-42	173.5	-63.8	166.6	-169.7	169.9	0	111.8	Y367 E370 M371 V449 E450 K451 T457 W580	Y367-K453 HydrophobicContact CD2-CG 4Å; Y367-K453 HydrophobicContact CE2-CB 4.41Å; Y367-K453 HydrophobicContact CE2-CG 3.72Å; E370-K453 VanDerWaalsContact OE2-CE 3.31Å; E370-K453 WeakPolarHBondContact OE2-CE 3.29Å; E370-K453 IonicContact OE2-NZ 2.68Å; E370-K453 PolarHBondContact OE2-NZ 2.86Å; M371-K453 HydrophobicContact SD-CG 4.37Å; V449-K453 PolarHBondContact O-N 3.47Å; E450-K453 WeakPolarHBondContact O-CA 3.41Å; E450-K453 WeakPolarHBondContact O-CB 3.2Å; E450-K453 PolarHBondContact O-N 2.82Å; E450-K453 IonicContact OE1-NZ 3.67Å; E450-K453 PolarHBondContact OE1-NZ 2.83Å; E450-K453 IonicContact OE2-NZ 2.71Å; K451-K453 VanDerWaalsContact C-N 3.33Å; K451-K453 PolarHBondContact O-N 3.42Å; K453-T457 VanDerWaalsContact O-CB 3.31Å; K453-T457 WeakPolarHBondContact O-CB 3.35Å; K453-T457 PolarHBondContact O-N 2.9Å; K453-T457 PolarHBondContact O-OG1 3.31Å; K453-W580 HydrophobicContact CB-CB 3.57Å; K453-W580 HydrophobicContact CB-CD2 3.82Å; K453-W580 HydrophobicContact CB-CE3 4.2Å; K453-W580 HydrophobicContact CB-CG 3.52Å; K453-W580 HydrophobicContact CD-CB 4.29Å
454	F	98.9	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.9	-53.4	170.6	-69.4	-91.2	0	0	0	112	E450 K451 F456 T457 Y458 L539 M540 S570 L578 W580	E450-F454 VanDerWaalsContact O-CD2 3.23Å; E450-F454 WeakPolarHBondContact O-CD2 3.44Å; E450-F454 PolarHBondContact O-N 2.79Å; K451-F454 PolarHBondContact O-N 3.14Å; F454-F456 PolarHBondContact O-N 2.86Å; F454-T457 PolarHBondContact O-N 3.2Å; F454-Y458 PolarHBondContact O-N 3.1Å; F454-L539 HydrophobicContact CB-CB 4.14Å; F454-L539 HydrophobicContact CB-CD2 4.08Å; F454-L539 HydrophobicContact CD1-CB 3.8Å; F454-L539 WeakPolarHBondContact CD1-O 3.33Å; F454-L539 HydrophobicContact CD2-CB 4.11Å; F454-L539 HydrophobicContact CD2-CD1 4.41Å; F454-L539 HydrophobicContact CD2-CD2 4.33Å; F454-L539 HydrophobicContact CE1-CB 4.22Å; F454-L539 HydrophobicContact CG-CB 3.76Å; F454-L539 HydrophobicContact CG-CD2 4.31Å; F454-M540 HydrophobicContact CE1-CG 4.32Å; F454-S570 VanDerWaalsContact CE1-O 3.26Å; F454-S570 WeakPolarHBondContact CE1-O 3.37Å; F454-L578 HydrophobicContact CZ-CD1 4.34Å; F454-W580 AromaticContact CD1-CD1 3.67Å; F454-W580 HydrophobicContact CD2-CB 3.98Å; F454-W580 AromaticContact CD2-CD1 3.91Å; F454-W580 HydrophobicContact CD2-CG 4.36Å; F454-W580 AromaticContact CE1-CD1 3.95Å; F454-W580 HydrophobicContact CE2-CB 3.74Å; F454-W580 HydrophobicContact CE2-CG 4.41Å; F454-W580 AromaticContact CG-CD1 3.62Å; F454-W580 HydrophobicContact CG-CG 4.47Å; F454-W580 HydrophobicContact CZ-CB 4.14Å
455	L	98.9	Very high	97.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.6	-43.2	-173.1	-70.4	171.4	0	0	0	112.7	F437 I440 K451 L452 Y458 F459 P542 M545	F437-L455 HydrophobicContact CD1-CD1 3.89Å; F437-L455 HydrophobicContact CE1-CD1 3.54Å; F437-L455 HydrophobicContact CE1-CD2 3.96Å; F437-L455 HydrophobicContact CE1-CG 4.43Å; F437-L455 HydrophobicContact CE2-CD1 4.44Å; F437-L455 HydrophobicContact CE2-CD2 4.42Å; F437-L455 HydrophobicContact CG-CD1 4.48Å; F437-L455 HydrophobicContact CZ-CD1 3.85Å; F437-L455 HydrophobicContact CZ-CD2 3.61Å; F437-L455 HydrophobicContact CZ-CG 4.4Å; I440-L455 HydrophobicContact CD1-CD1 4.01Å; K451-L455 WeakPolarHBondContact O-CG 3.39Å; K451-L455 PolarHBondContact O-N 2.62Å; L452-L455 PolarHBondContact O-N 2.82Å; L455-Y458 WeakPolarHBondContact O-CB 3.4Å; L455-Y458 PolarHBondContact O-N 3.12Å; L455-F459 WeakPolarHBondContact O-CD2 3.47Å; L455-F459 PolarHBondContact O-N 2.88Å; L455-F459 VanDerWaalsContact O-N 3.15Å; L455-P542 HydrophobicContact CD2-CB 4.33Å; L455-P542 HydrophobicContact CD2-CG 4.45Å; L455-M545 HydrophobicContact CD2-CE 4.06Å; L455-M545 HydrophobicContact CD2-SD 4.21Å
456	F	98.8	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-71.3	-36.2	177.9	-70.3	-62.3	0	0	0	112.3	F343 L364 Y367 K383 F384 V387 F427 L452 F454 Y458 F459 D460	F343-F456 HydrophobicContact CE1-CZ 4.46Å; L364-F456 HydrophobicContact CD1-CE2 4.25Å; L364-F456 HydrophobicContact CD1-CZ 4.12Å; Y367-F456 HydrophobicContact CD1-CD2 4.01Å; Y367-F456 AromaticContact CD1-CE2 3.84Å; Y367-F456 HydrophobicContact CD1-CE2 3.84Å; Y367-F456 HydrophobicContact CD2-CD2 4.37Å; Y367-F456 AromaticContact CE1-CD2 3.38Å; Y367-F456 HydrophobicContact CE1-CD2 3.38Å; Y367-F456 AromaticContact CE1-CE2 3.61Å; Y367-F456 HydrophobicContact CE1-CE2 3.61Å; Y367-F456 HydrophobicContact CE1-CG 4.19Å; Y367-F456 AromaticContact CE2-CD2 3.79Å; Y367-F456 HydrophobicContact CE2-CD2 3.79Å; Y367-F456 HydrophobicContact CE2-CE2 4.48Å; Y367-F456 HydrophobicContact CG-CD2 4.48Å; Y367-F456 HydrophobicContact CG-CE2 4.4Å; Y367-F456 AromaticContact CZ-CD2 3.27Å; Y367-F456 AromaticContact CZ-CE2 3.98Å; Y367-F456 AromaticContact CZ-CG 3.96Å; Y367-F456 WeakPolarHBondContact OH-CB 3.44Å; Y367-F456 WeakPolarHBondContact OH-CD2 3.19Å; K383-F456 HydrophobicContact CB-CD1 4.31Å; K383-F456 HydrophobicContact CD-CB 4.23Å; F384-F456 HydrophobicContact CD1-CD1 4.3Å; F384-F456 AromaticContact CD1-CE1 3.55Å; F384-F456 HydrophobicContact CD1-CE1 3.55Å; F384-F456 HydrophobicContact CD1-CE2 4.28Å; F384-F456 AromaticContact CD1-CZ 3.54Å; F384-F456 HydrophobicContact CD1-CZ 3.54Å; F384-F456 AromaticContact CE1-CE1 3.95Å; F384-F456 HydrophobicContact CE1-CE1 3.95Å; F384-F456 AromaticContact CE1-CE2 3.81Å; F384-F456 HydrophobicContact CE1-CE2 3.81Å; F384-F456 AromaticContact CE1-CZ 3.47Å; F384-F456 HydrophobicContact CE1-CZ 3.47Å; F384-F456 VanDerWaalsContact CE1-CZ 3.47Å; V387-F456 HydrophobicContact CG2-CD1 3.8Å; V387-F456 HydrophobicContact CG2-CE1 3.63Å; F427-F456 HydrophobicContact CE1-CE1 4.18Å; F427-F456 AromaticContact CE1-CZ 3.85Å; F427-F456 HydrophobicContact CE1-CZ 3.85Å; F427-F456 HydrophobicContact CZ-CE1 4.14Å; F427-F456 AromaticContact CZ-CZ 3.99Å; F427-F456 HydrophobicContact CZ-CZ 3.99Å; L452-F456 HydrophobicContact CB-CD2 4.06Å; L452-F456 HydrophobicContact CB-CE2 3.99Å; L452-F456 HydrophobicContact CD2-CE2 3.89Å; L452-F456 HydrophobicContact CG-CE2 4.37Å; L452-F456 WeakPolarHBondContact O-CB 3.48Å; L452-F456 WeakPolarHBondContact O-CD2 3.37Å; L452-F456 PolarHBondContact O-N 3.34Å; F454-F456 PolarHBondContact O-N 2.86Å; F456-Y458 VanDerWaalsContact C-N 3.29Å; F456-Y458 PolarHBondContact O-N 3.09Å; F456-F459 PolarHBondContact O-N 2.82Å; F456-D460 WeakPolarHBondContact O-CB 3.24Å; F456-D460 PolarHBondContact O-N 2.84Å
457	T	98.7	Very high	98	Very high	36 Å²	36	23.2 Å²	23.2	22%	0.221	12%	0.124	C	C	.	.	H	α-helix	trans	-59.7	-38.9	171.9	-64.3	0	0	0	0	112.1	K453 F454 D460 K461 S569 W580	K453-T457 VanDerWaalsContact O-CB 3.31Å; K453-T457 WeakPolarHBondContact O-CB 3.35Å; K453-T457 PolarHBondContact O-N 2.9Å; K453-T457 PolarHBondContact O-OG1 3.31Å; F454-T457 PolarHBondContact O-N 3.2Å; T457-D460 PolarHBondContact O-N 2.79Å; T457-K461 PolarHBondContact O-N 2.8Å; T457-S569 WeakPolarHBondContact CG2-OG 3.41Å; T457-W580 HydrophobicContact CG2-CZ2 4.03Å; T457-W580 VanDerWaalsContact OG1-CZ2 3.28Å; T457-W580 WeakPolarHBondContact OG1-CZ2 3.16Å
458	Y	98.9	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-51.1	171.6	167.7	-113.3	0	0	0	112.1	A420 V423 F454 L455 F456 D460 K461 M462 P542 E543 F568	A420-Y458 WeakPolarHBondContact CA-OH 3.2Å; A420-Y458 HydrophobicContact CB-CE1 4.29Å; A420-Y458 WeakPolarHBondContact CB-OH 3.44Å; A420-Y458 PolarHBondContact N-OH 3.12Å; V423-Y458 HydrophobicContact CB-CE1 4.21Å; V423-Y458 HydrophobicContact CG1-CE1 4.3Å; F454-Y458 PolarHBondContact O-N 3.1Å; L455-Y458 WeakPolarHBondContact O-CB 3.4Å; L455-Y458 PolarHBondContact O-N 3.12Å; F456-Y458 VanDerWaalsContact C-N 3.29Å; F456-Y458 PolarHBondContact O-N 3.09Å; Y458-D460 VanDerWaalsContact C-N 3.28Å; Y458-D460 PolarHBondContact O-N 3.13Å; Y458-K461 PolarHBondContact O-N 3.35Å; Y458-M462 HydrophobicContact CD2-CG 3.79Å; Y458-M462 HydrophobicContact CE1-CG 4.42Å; Y458-M462 HydrophobicContact CE2-CG 3.47Å; Y458-M462 VanDerWaalsContact CE2-CG 3.47Å; Y458-M462 HydrophobicContact CE2-SD 4.02Å; Y458-M462 HydrophobicContact CG-CG 4.42Å; Y458-M462 WeakPolarHBondContact O-CB 3.36Å; Y458-M462 VanDerWaalsContact O-CG 3.26Å; Y458-M462 WeakPolarHBondContact O-CG 3.44Å; Y458-M462 PolarHBondContact O-N 2.98Å; Y458-P542 HydrophobicContact CD1-CB 3.8Å; Y458-P542 HydrophobicContact CD1-CG 4.22Å; Y458-P542 HydrophobicContact CD2-CB 4.27Å; Y458-P542 HydrophobicContact CD2-CG 4.26Å; Y458-P542 HydrophobicContact CE1-CB 4.05Å; Y458-P542 HydrophobicContact CG-CB 3.9Å; Y458-P542 HydrophobicContact CG-CG 3.86Å; Y458-E543 HydrophobicContact CE2-CG 3.79Å; Y458-E543 WeakPolarHBondContact OH-CG 3.34Å; Y458-F568 HydrophobicContact CD2-CB 4.38Å; Y458-F568 AromaticContact CD2-CD1 3.7Å; Y458-F568 HydrophobicContact CD2-CD1 3.7Å; Y458-F568 AromaticContact CD2-CD2 3.55Å; Y458-F568 HydrophobicContact CD2-CD2 3.55Å; Y458-F568 AromaticContact CD2-CE1 3.74Å; Y458-F568 HydrophobicContact CD2-CE1 3.74Å; Y458-F568 AromaticContact CD2-CE2 3.59Å; Y458-F568 HydrophobicContact CD2-CE2 3.59Å; Y458-F568 AromaticContact CD2-CG 3.6Å; Y458-F568 HydrophobicContact CD2-CG 3.6Å; Y458-F568 AromaticContact CD2-CZ 3.69Å; Y458-F568 HydrophobicContact CD2-CZ 3.69Å; Y458-F568 HydrophobicContact CE2-CD1 4.39Å; Y458-F568 AromaticContact CE2-CD2 3.97Å; Y458-F568 HydrophobicContact CE2-CD2 3.97Å; Y458-F568 AromaticContact CE2-CE1 3.98Å; Y458-F568 HydrophobicContact CE2-CE1 3.98Å; Y458-F568 AromaticContact CE2-CE2 3.52Å; Y458-F568 HydrophobicContact CE2-CE2 3.52Å; Y458-F568 HydrophobicContact CE2-CG 4.38Å; Y458-F568 AromaticContact CE2-CZ 3.53Å; Y458-F568 HydrophobicContact CE2-CZ 3.53Å
459	F	98.8	Very high	97.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.4	-26.8	179.1	-66.1	-59.7	0	0	0	113.9	V387 I390 V423 A424 F427 L455 F456 S463	V387-F459 HydrophobicContact CG1-CD2 4.48Å; V387-F459 HydrophobicContact CG1-CE2 4.39Å; V387-F459 HydrophobicContact CG2-CB 4.01Å; V387-F459 HydrophobicContact CG2-CD2 3.53Å; V387-F459 HydrophobicContact CG2-CE2 4.18Å; V387-F459 HydrophobicContact CG2-CG 3.82Å; I390-F459 HydrophobicContact CD1-CB 4.15Å; I390-F459 HydrophobicContact CD1-CD1 3.85Å; I390-F459 HydrophobicContact CD1-CG 4.47Å; I390-F459 WeakPolarHBondContact CD1-O 3.32Å; I390-F459 HydrophobicContact CG2-CD1 4.3Å; I390-F459 HydrophobicContact CG2-CE1 4.4Å; V423-F459 HydrophobicContact CB-CZ 4.26Å; V423-F459 HydrophobicContact CG1-CZ 3.94Å; A424-F459 HydrophobicContact CB-CD1 4.38Å; A424-F459 HydrophobicContact CB-CE1 3.63Å; A424-F459 HydrophobicContact CB-CZ 4.04Å; F427-F459 HydrophobicContact CD2-CE2 4.21Å; F427-F459 AromaticContact CE2-CE2 3.71Å; F427-F459 HydrophobicContact CE2-CE2 3.71Å; F427-F459 HydrophobicContact CE2-CZ 4.44Å; L455-F459 WeakPolarHBondContact O-CD2 3.47Å; L455-F459 PolarHBondContact O-N 2.88Å; L455-F459 VanDerWaalsContact O-N 3.15Å; F456-F459 PolarHBondContact O-N 2.82Å; F459-S463 VanDerWaalsContact O-CB 3.22Å; F459-S463 WeakPolarHBondContact O-CB 3.19Å; F459-S463 PolarHBondContact O-N 3.14Å
460	D	98.3	Very high	97.5	Very high	14 Å²	14	29.2 Å²	29.2	8%	0.075	16%	0.163	C	C	.	.	H	α-helix	trans	-65.7	-54.3	172	-68.7	-22.2	0	0	0	110.9	K383 R386 F456 T457 Y458 M462 S463 M464	K383-D460 WeakPolarHBondContact CD-OD2 3.3Å; K383-D460 WeakPolarHBondContact CG-OD1 3.28Å; K383-D460 IonicContact NZ-OD2 2.68Å; K383-D460 PolarHBondContact NZ-OD2 2.92Å; R386-D460 WeakPolarHBondContact CD-OD1 3.4Å; R386-D460 IonicContact CZ-OD1 3.91Å; R386-D460 IonicContact NE-OD1 2.74Å; R386-D460 IonicContact NH1-OD1 3.33Å; R386-D460 PolarHBondContact NH1-OD1 3.04Å; R386-D460 IonicContact NH1-OD2 3.58Å; F456-D460 WeakPolarHBondContact O-CB 3.24Å; F456-D460 PolarHBondContact O-N 2.84Å; T457-D460 PolarHBondContact O-N 2.79Å; Y458-D460 VanDerWaalsContact C-N 3.28Å; Y458-D460 PolarHBondContact O-N 3.13Å; D460-M462 VanDerWaalsContact C-N 3.31Å; D460-M462 PolarHBondContact O-N 2.7Å; D460-S463 PolarHBondContact O-N 2.96Å; D460-M464 WeakPolarHBondContact O-CG 3.31Å; D460-M464 PolarHBondContact O-N 3.08Å
461	K	98.2	Very high	97.5	Very high	70 Å²	70	28.9 Å²	28.9	30%	0.304	16%	0.161	S	C	.	.	H	α-helix	trans	-57.4	-45.9	175.6	-177.5	60.3	172.7	178.1	0	110.9	T457 Y458 S463 M464 D465 F568	T457-K461 PolarHBondContact O-N 2.8Å; Y458-K461 PolarHBondContact O-N 3.35Å; K461-S463 PolarHBondContact O-N 3.37Å; K461-M464 PolarHBondContact O-N 2.72Å; K461-D465 HydrophobicContact CD-CB 4.39Å; K461-D465 VanDerWaalsContact CD-O 3.29Å; K461-D465 WeakPolarHBondContact CD-O 3.5Å; K461-D465 WeakPolarHBondContact CE-O 3.39Å; K461-D465 PolarHBondContact NZ-O 3Å; K461-D465 IonicContact NZ-OD2 3.99Å; K461-D465 PolarHBondContact NZ-OD2 2.78Å; K461-D465 CarbonylContact O-C 3.52Å; K461-D465 PolarHBondContact O-N 3.42Å; K461-F568 HydrophobicContact CB-CD1 3.94Å; K461-F568 HydrophobicContact CB-CE1 4.29Å; K461-F568 HydrophobicContact CG-CD1 3.8Å; K461-F568 HydrophobicContact CG-CE1 3.88Å
462	M	98.5	Very high	97.6	Very high	12 Å²	12	28.9 Å²	28.9	6%	0.059	16%	0.161	C	C	.	.	H	α-helix	trans	-66.9	-19.2	178.4	-67.4	-52.9	-58.2	0	0	114.5	I390 H416 K417 A420 Y458 D460 P466 P467 F568	I390-M462 HydrophobicContact CD1-CB 3.93Å; H416-M462 HydrophobicContact CB-CE 4.03Å; H416-M462 WeakPolarHBondContact O-CE 3.44Å; K417-M462 HydrophobicContact CG-CE 4.13Å; A420-M462 HydrophobicContact CB-CB 4.09Å; A420-M462 HydrophobicContact CB-CE 3.81Å; A420-M462 HydrophobicContact CB-CG 3.88Å; Y458-M462 HydrophobicContact CD2-CG 3.79Å; Y458-M462 HydrophobicContact CE1-CG 4.42Å; Y458-M462 HydrophobicContact CE2-CG 3.47Å; Y458-M462 VanDerWaalsContact CE2-CG 3.47Å; Y458-M462 HydrophobicContact CE2-SD 4.02Å; Y458-M462 HydrophobicContact CG-CG 4.42Å; Y458-M462 WeakPolarHBondContact O-CB 3.36Å; Y458-M462 VanDerWaalsContact O-CG 3.26Å; Y458-M462 WeakPolarHBondContact O-CG 3.44Å; Y458-M462 PolarHBondContact O-N 2.98Å; D460-M462 VanDerWaalsContact C-N 3.31Å; D460-M462 PolarHBondContact O-N 2.7Å; M462-P466 HydrophobicContact CE-CB 3.56Å; M462-P466 HydrophobicContact SD-CB 4.1Å; M462-P467 HydrophobicContact SD-CG 4.32Å; M462-F568 HydrophobicContact CG-CE1 4.21Å; M462-F568 HydrophobicContact CG-CZ 4.5Å; M462-F568 HydrophobicContact SD-CE1 3.7Å; M462-F568 HydrophobicContact SD-CZ 3.76Å
463	S	97.8	Very high	97.6	Very high	44 Å²	44	28.9 Å²	28.9	31%	0.308	16%	0.161	S	C	.	.	H	α-helix	trans	-96.2	-22.7	176.1	-171.4	0	0	0	0	114	F459 D460 K461	F459-S463 VanDerWaalsContact O-CB 3.22Å; F459-S463 WeakPolarHBondContact O-CB 3.19Å; F459-S463 PolarHBondContact O-N 3.14Å; D460-S463 PolarHBondContact O-N 2.96Å; K461-S463 PolarHBondContact O-N 3.37Å
464	M	96.1	Very high	97.5	Very high	122 Å²	122	29.7 Å²	29.7	60%	0.601	16%	0.163	S	C	*	.	H	α-helix	trans	-98.8	-51.6	-179.1	-64.3	-177.6	-170.7	0	0	112.3	R386 D460 K461	R386-M464 VanDerWaalsContact NH2-CE 3.34Å; D460-M464 WeakPolarHBondContact O-CG 3.31Å; D460-M464 PolarHBondContact O-N 3.08Å; K461-M464 PolarHBondContact O-N 2.72Å
465	D	96.4	Very high	97.4	Very high	98 Å²	98	30.1 Å²	30.1	52%	0.524	17%	0.166	S	C	.	.	S	Bend	trans	-148.5	68.7	-171.1	179.1	37.5	0	0	0	109.7	K461	K461-D465 HydrophobicContact CD-CB 4.39Å; K461-D465 VanDerWaalsContact CD-O 3.29Å; K461-D465 WeakPolarHBondContact CD-O 3.5Å; K461-D465 WeakPolarHBondContact CE-O 3.39Å; K461-D465 PolarHBondContact NZ-O 3Å; K461-D465 IonicContact NZ-OD2 3.99Å; K461-D465 PolarHBondContact NZ-OD2 2.78Å; K461-D465 CarbonylContact O-C 3.52Å; K461-D465 PolarHBondContact O-N 3.42Å
466	P	96.4	Very high	97.1	Very high	31 Å²	31	30.7 Å²	30.7	20%	0.201	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-69.6	129.4	-178.8	26	-34.5	0	0	0	111.3	K417 M462 D468	K417-P466 HydrophobicContact CD-CG 4.46Å; K417-P466 HydrophobicContact CG-CB 4.04Å; K417-P466 HydrophobicContact CG-CG 4.4Å; M462-P466 HydrophobicContact CE-CB 3.56Å; M462-P466 HydrophobicContact SD-CB 4.1Å; P466-D468 PolarHBondContact O-N 2.8Å
467	P	94.8	Very high	96.7	Very high	13 Å²	13	34.4 Å²	34.4	8%	0.084	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-57.7	138.1	176	24.3	-33.7	0	0	0	111.5	H416 M462 Y566 F568	H416-P467 HydrophobicContact CB-CG 4.1Å; H416-P467 WeakPolarHBondContact CB-O 3.23Å; H416-P467 PolarHBondContact CD2-O 3.23Å; H416-P467 VanDerWaalsContact CD2-O 3.29Å; M462-P467 HydrophobicContact SD-CG 4.32Å; P467-Y566 HydrophobicContact CB-CD2 3.79Å; P467-Y566 HydrophobicContact CB-CE2 3.78Å; P467-Y566 HydrophobicContact CB-CG 4.26Å; P467-Y566 HydrophobicContact CG-CD1 4.14Å; P467-Y566 HydrophobicContact CG-CD2 3.97Å; P467-Y566 HydrophobicContact CG-CE1 4.43Å; P467-Y566 HydrophobicContact CG-CE2 4.27Å; P467-Y566 HydrophobicContact CG-CG 3.9Å; P467-F568 HydrophobicContact CG-CE1 4.28Å; P467-F568 HydrophobicContact CG-CZ 4.09Å
468	D	91.8	Very high	96	Very high	113 Å²	113	34.1 Å²	34.1	60%	0.604	18%	0.182	S	C	*	.	P	Polyproline II helix	trans	-79.3	160.3	167.9	-77.5	-39.2	0	0	0	111.4	H416 K417 P466 R596	H416-D468 PolarHBondContact CD2-O 3.48Å; H416-D468 VanDerWaalsContact CD2-O 3.3Å; H416-D468 PolarHBondContact NE2-O 3.23Å; K417-D468 IonicContact NZ-OD1 3.82Å; K417-D468 PolarHBondContact NZ-OD1 3.18Å; P466-D468 PolarHBondContact O-N 2.8Å; D468-R596 PolarHBondContact O-NH1 3.36Å; D468-R596 PolarHBondContact O-NH2 3.38Å
469	G	95.1	Very high	94.8	Very high	27 Å²	27	39.6 Å²	39.6	28%	0.278	21%	0.211	S	C	.	.	S	Bend	trans	106.4	-159.3	-174.6	0	0	0	0	0	113.7	S415 H416 G600	S415-G469 WeakPolarHBondContact CA-O 3.34Å; S415-G469 WeakPolarHBondContact CB-O 3.37Å; H416-G469 VanDerWaalsContact CD2-C 3.44Å; H416-G469 PolarHBondContact N-O 3.49Å; G469-G600 VanDerWaalsContact CA-O 3.25Å; G469-G600 WeakPolarHBondContact CA-O 3.47Å
470	A	97.3	Very high	93.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	161.4	-166.9	0	0	0	0	0	114	T413 L414 G600 R601	T413-A470 HydrophobicContact CG2-CB 4.07Å; L414-A470 CarbonylContact O-C 3.12Å; L414-A470 WeakPolarHBondContact O-CA 3.39Å; L414-A470 VanDerWaalsContact O-CB 3.3Å; L414-A470 WeakPolarHBondContact O-CB 3.48Å; A470-G600 PolarHBondContact N-O 3.47Å; A470-R601 HydrophobicContact CB-CG 4.11Å; A470-R601 WeakPolarHBondContact O-CA 3.37Å; A470-R601 WeakPolarHBondContact O-CG 2.76Å
471	V	98.7	Very high	92	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.2	171.2	-170.9	0	0	0	0	108.3	T413 L414 F473 E543 I562 V563 A565	T413-V471 WeakPolarHBondContact CA-O 3.49Å; L414-V471 PolarHBondContact N-O 3.02Å; L414-V471 PolarHBondContact O-N 3.42Å; V471-F473 HydrophobicContact CB-CE2 4.09Å; V471-F473 HydrophobicContact CB-CZ 4.28Å; V471-F473 HydrophobicContact CG1-CE1 4.27Å; V471-F473 HydrophobicContact CG1-CE2 3.77Å; V471-F473 HydrophobicContact CG1-CZ 3.61Å; V471-E543 HydrophobicContact CG2-CB 4.41Å; V471-E543 WeakPolarHBondContact CG2-OE2 3.23Å; V471-I562 HydrophobicContact CG1-CG2 3.86Å; V471-V563 CarbonylContact C-O 3.24Å; V471-V563 WeakPolarHBondContact CA-O 3.46Å; V471-A565 HydrophobicContact CG1-CB 4.16Å
472	S	98.8	Very high	90.7	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.007	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.4	171.3	-67.9	0	0	0	0	110.6	A412 T413 I562 V563 R601	A412-S472 WeakPolarHBondContact O-CA 3.28Å; T413-S472 WeakPolarHBondContact CG2-OG 3.32Å; T413-S472 PolarHBondContact OG1-OG 3.19Å; S472-I562 CarbonylContact O-C 3.58Å; S472-I562 WeakPolarHBondContact O-CA 3.31Å; S472-V563 PolarHBondContact N-O 3.22Å; S472-V563 PolarHBondContact O-N 2.98Å; S472-R601 WeakPolarHBondContact OG-CD 3.25Å; S472-R601 PolarHBondContact OG-NH1 3.25Å
473	F	98.8	Very high	89.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.4	169.6	-54.8	-92.4	0	0	0	107.7	S411 A412 L414 V471 E543 V546 L550 I562	S411-F473 CarbonylContact C-O 3.57Å; S411-F473 WeakPolarHBondContact CA-O 3.34Å; S411-F473 WeakPolarHBondContact CB-O 3.44Å; A412-F473 PolarHBondContact N-O 2.91Å; A412-F473 PolarHBondContact O-N 3.38Å; L414-F473 HydrophobicContact CD1-CD2 3.99Å; L414-F473 HydrophobicContact CD1-CE2 4.06Å; V471-F473 HydrophobicContact CB-CE2 4.09Å; V471-F473 HydrophobicContact CB-CZ 4.28Å; V471-F473 HydrophobicContact CG1-CE1 4.27Å; V471-F473 HydrophobicContact CG1-CE2 3.77Å; V471-F473 HydrophobicContact CG1-CZ 3.61Å; F473-E543 WeakPolarHBondContact CZ-O 3.14Å; F473-V546 HydrophobicContact CD2-CG1 4.48Å; F473-V546 HydrophobicContact CE1-CB 4.17Å; F473-V546 HydrophobicContact CE2-CB 4.09Å; F473-V546 HydrophobicContact CE2-CG1 3.91Å; F473-V546 HydrophobicContact CZ-CB 3.67Å; F473-V546 HydrophobicContact CZ-CG1 4.02Å; F473-L550 HydrophobicContact CB-CD1 4.2Å; F473-L550 HydrophobicContact CD2-CD1 3.91Å; F473-L550 HydrophobicContact CG-CD1 4.03Å; F473-I562 HydrophobicContact CD1-CD1 4.06Å; F473-I562 HydrophobicContact CD1-CG1 3.95Å; F473-I562 HydrophobicContact CD1-CG2 3.95Å; F473-I562 HydrophobicContact CE1-CD1 4.14Å; F473-I562 HydrophobicContact CE1-CG1 4.37Å; F473-I562 HydrophobicContact CE1-CG2 3.77Å; F473-I562 HydrophobicContact CZ-CG2 4.45Å
474	R	98.3	Very high	88.6	Confident	41 Å²	41	57.4 Å²	57.4	16%	0.155	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	132.1	-178.7	168.6	166.1	160.2	-95.7	4.9	111.8	E410 T476 S561 S644	E410-R474 CarbonylContact O-C 3.6Å; E410-R474 VanDerWaalsContact O-CA 3.28Å; E410-R474 WeakPolarHBondContact O-CA 3.35Å; R474-T476 PolarHBondContact NH1-OG1 2.82Å; R474-S561 PolarHBondContact N-O 3.27Å; R474-S561 PolarHBondContact O-N 3.14Å; R474-S644 VanDerWaalsContact CZ-O 3.26Å; R474-S644 PolarHBondContact NH1-O 3.43Å; R474-S644 PolarHBondContact NH2-O 3.16Å
475	L	96.8	Very high	87.9	Confident	10 Å²	10	54.8 Å²	54.8	5%	0.052	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	99.5	176.1	-178.2	59.4	0	0	0	107.8	L405 E410 K477 E558 I560	L405-L475 HydrophobicContact CB-CB 3.97Å; L405-L475 HydrophobicContact CB-CD2 4.2Å; L405-L475 HydrophobicContact CD2-CB 3.66Å; L405-L475 HydrophobicContact CG-CB 4.45Å; L405-L475 WeakPolarHBondContact O-CD2 3.4Å; E410-L475 PolarHBondContact O-N 2.88Å; L475-K477 HydrophobicContact CG-CG 4.19Å; L475-K477 PolarHBondContact O-N 2.66Å; L475-E558 HydrophobicContact CD1-CB 4Å; L475-I560 HydrophobicContact CD1-CD1 4.48Å; L475-I560 HydrophobicContact CD1-CG1 3.69Å
476	T	92.1	Very high	87.1	Confident	11 Å²	11	54.4 Å²	54.4	7%	0.067	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	123.6	175.1	-52.5	0	0	0	0	108	R474 E558 A559 I640	R474-T476 PolarHBondContact NH1-OG1 2.82Å; T476-E558 CarbonylContact O-C 3.53Å; T476-E558 VanDerWaalsContact O-CA 3.28Å; T476-E558 WeakPolarHBondContact O-CA 3.35Å; T476-A559 WeakPolarHBondContact CB-O 2.99Å; T476-A559 PolarHBondContact N-O 2.79Å; T476-A559 PolarHBondContact O-N 3.39Å; T476-I640 HydrophobicContact CG2-CG2 4.13Å
477	K	90	Very high	86.3	Confident	78 Å²	78	53.5 Å²	53.5	34%	0.339	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	150.8	177	-48.2	-166.7	178.6	-174.3	0	109.1	G407 L475 E558	G407-K477 PolarHBondContact O-NZ 3.13Å; L475-K477 HydrophobicContact CG-CG 4.19Å; L475-K477 PolarHBondContact O-N 2.66Å; K477-E558 HydrophobicContact CD-CG 4.43Å; K477-E558 WeakPolarHBondContact CE-OE1 3.17Å; K477-E558 HydrophobicContact CG-CG 4.1Å; K477-E558 IonicContact NZ-OE1 2.82Å; K477-E558 PolarHBondContact NZ-OE1 2.92Å
478	M	83.8	Confident	85.6	Confident	31 Å²	31	55.1 Å²	55.1	15%	0.153	28%	0.281	C	S	.	.			trans	-137.6	120.5	167.3	-165.6	167.2	-70.9	0	0	109.8	F483 L557 I640 M643	M478-F483 HydrophobicContact CG-CB 4.22Å; M478-F483 HydrophobicContact SD-CB 3.8Å; M478-F483 HydrophobicContact SD-CD2 3.48Å; M478-F483 WeakPolarHBondContact SD-CD2 3.35Å; M478-F483 HydrophobicContact SD-CE2 4.39Å; M478-F483 HydrophobicContact SD-CG 4.01Å; M478-L557 PolarHBondContact N-O 3.03Å; M478-L557 VanDerWaalsContact N-O 3.11Å; M478-L557 WeakPolarHBondContact O-CB 3.25Å; M478-I640 HydrophobicContact CB-CD1 3.81Å; M478-I640 HydrophobicContact CB-CG1 3.86Å; M478-I640 HydrophobicContact CE-CG1 4.42Å; M478-I640 HydrophobicContact SD-CG1 4.12Å; M478-M643 HydrophobicContact CE-CE 3.86Å; M478-M643 HydrophobicContact CE-SD 4.19Å
479	D	75.1	Confident	84.5	Confident	114 Å²	114	56 Å²	56	61%	0.61	29%	0.286	S	S	*	.			trans	-67.4	149.6	174.8	-62.5	-61	0	0	0	110.4	D481 T482 F483	D479-D481 PolarHBondContact O-N 2.83Å; D479-D481 VanDerWaalsContact O-N 3.15Å; D479-T482 PolarHBondContact O-N 2.84Å; D479-F483 PolarHBondContact O-N 3.31Å
480	K	69.5	Low	82.6	Confident	162 Å²	162	59.4 Å²	59.4	70%	0.704	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-40.4	-173.6	-75.9	-177.5	176.1	-177.8	0	112.5	T482 L557	K480-T482 VanDerWaalsContact C-N 3.32Å; K480-L557 HydrophobicContact CG-CD1 3.65Å
481	D	68.7	Low	80.7	Confident	158 Å²	158	68.2 Å²	68.2	85%	0.845	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-10.6	-175.3	-39.3	-65.5	0	0	0	112.4	D479	D479-D481 PolarHBondContact O-N 2.83Å; D479-D481 VanDerWaalsContact O-N 3.15Å
482	T	70.1	Confident	78.6	Confident	94 Å²	94	75.8 Å²	75.8	58%	0.577	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-16.1	177.2	-56.1	0	0	0	0	112.5	D479 K480 N484	D479-T482 PolarHBondContact O-N 2.84Å; K480-T482 VanDerWaalsContact C-N 3.32Å; T482-N484 PolarHBondContact O-N 3.17Å
483	F	78.9	Confident	77.7	Confident	12 Å²	12	78.9 Å²	78.9	5%	0.053	38%	0.382	C	S	.	.	S	Bend	trans	-70.8	92.7	170.5	-169.3	-77.6	0	0	0	109.5	M478 D479 E485 W487 M635 K636 I640	M478-F483 HydrophobicContact CG-CB 4.22Å; M478-F483 HydrophobicContact SD-CB 3.8Å; M478-F483 HydrophobicContact SD-CD2 3.48Å; M478-F483 WeakPolarHBondContact SD-CD2 3.35Å; M478-F483 HydrophobicContact SD-CE2 4.39Å; M478-F483 HydrophobicContact SD-CG 4.01Å; D479-F483 PolarHBondContact O-N 3.31Å; F483-E485 HydrophobicContact CD1-CG 3.73Å; F483-E485 HydrophobicContact CE1-CG 4.08Å; F483-E485 PolarHBondContact O-N 3.32Å; F483-W487 HydrophobicContact CE1-CZ2 4.03Å; F483-W487 AromaticContact CE1-NE1 3.71Å; F483-W487 HydrophobicContact CZ-CZ2 4.38Å; F483-M635 HydrophobicContact CZ-CE 4.45Å; F483-M635 HydrophobicContact CZ-SD 4.01Å; F483-K636 HydrophobicContact CD1-CD 4.05Å; F483-K636 HydrophobicContact CD1-CG 4.43Å; F483-K636 HydrophobicContact CD2-CD 4.07Å; F483-K636 HydrophobicContact CD2-CG 4.18Å; F483-K636 HydrophobicContact CE1-CD 4.18Å; F483-K636 HydrophobicContact CE1-CG 4.08Å; F483-K636 HydrophobicContact CE2-CB 4.11Å; F483-K636 HydrophobicContact CE2-CD 4.21Å; F483-K636 HydrophobicContact CE2-CG 3.82Å; F483-K636 HydrophobicContact CG-CD 4.02Å; F483-K636 HydrophobicContact CZ-CB 4.47Å; F483-K636 HydrophobicContact CZ-CD 4.28Å; F483-K636 HydrophobicContact CZ-CG 3.78Å; F483-I640 HydrophobicContact CD2-CD1 4.42Å; F483-I640 HydrophobicContact CD2-CG1 4.27Å; F483-I640 HydrophobicContact CE2-CG1 4.38Å
484	N	74.1	Confident	77.2	Confident	88 Å²	88	83.2 Å²	83.2	47%	0.471	41%	0.413	S	S	.	.			trans	-62.5	126.7	177.9	-173.8	-43.1	0	0	0	110.7	T482 E486 W487	T482-N484 PolarHBondContact O-N 3.17Å; N484-E486 PolarHBondContact ND2-OE1 3.17Å; N484-E486 VanDerWaalsContact OD1-CB 3.23Å; N484-E486 WeakPolarHBondContact OD1-CB 3.4Å; N484-E486 VanDerWaalsContact OD1-CG 3.23Å; N484-E486 WeakPolarHBondContact OD1-CG 3.32Å; N484-E486 PolarHBondContact OD1-N 2.71Å; N484-E486 PolarHBondContact OD1-OE1 3.03Å; N484-W487 PolarHBondContact O-NE1 2.94Å
485	E	80.9	Confident	77	Confident	68 Å²	68	81.7 Å²	81.7	32%	0.318	41%	0.408	S	S	.	.			trans	-107.8	3.7	-178.5	-61.2	-157.8	141	0	0	114.6	F483 W487 K488 K636	F483-E485 HydrophobicContact CD1-CG 3.73Å; F483-E485 HydrophobicContact CE1-CG 4.08Å; F483-E485 PolarHBondContact O-N 3.32Å; E485-W487 PolarHBondContact O-N 2.63Å; E485-K488 HydrophobicContact CB-CD 4.13Å; E485-K488 VanDerWaalsContact O-CB 3.3Å; E485-K488 WeakPolarHBondContact O-CB 3.45Å; E485-K488 WeakPolarHBondContact O-CG 3.26Å; E485-K488 PolarHBondContact O-N 3.07Å; E485-K488 IonicContact OE1-NZ 2.91Å; E485-K488 PolarHBondContact OE1-NZ 2.97Å; E485-K488 IonicContact OE2-NZ 2.63Å; E485-K488 PolarHBondContact OE2-NZ 3.12Å; E485-K636 WeakPolarHBondContact OE1-CE 3.15Å; E485-K636 IonicContact OE1-NZ 2.7Å; E485-K636 PolarHBondContact OE1-NZ 3.27Å
486	E	79	Confident	76.9	Confident	90 Å²	90	82 Å²	82	42%	0.421	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-20.6	-179.9	-67.3	170.2	-129.9	0	0	113.9	N484 K488 D489 K490	N484-E486 PolarHBondContact ND2-OE1 3.17Å; N484-E486 VanDerWaalsContact OD1-CB 3.23Å; N484-E486 WeakPolarHBondContact OD1-CB 3.4Å; N484-E486 VanDerWaalsContact OD1-CG 3.23Å; N484-E486 WeakPolarHBondContact OD1-CG 3.32Å; N484-E486 PolarHBondContact OD1-N 2.71Å; N484-E486 PolarHBondContact OD1-OE1 3.03Å; E486-K488 PolarHBondContact O-N 3.24Å; E486-D489 PolarHBondContact O-N 3.48Å; E486-D489 VanDerWaalsContact O-N 3.15Å; E486-K490 HydrophobicContact CB-CD 4.37Å; E486-K490 WeakPolarHBondContact O-CB 3.26Å; E486-K490 WeakPolarHBondContact O-CG 3.28Å; E486-K490 PolarHBondContact O-N 2.9Å; E486-K490 VanDerWaalsContact O-N 3.08Å; E486-K490 VanDerWaalsContact OE2-CE 3.25Å; E486-K490 WeakPolarHBondContact OE2-CE 3.47Å; E486-K490 IonicContact OE2-NZ 2.58Å; E486-K490 PolarHBondContact OE2-NZ 3.42Å
487	W	80.8	Confident	77.1	Confident	11 Å²	11	87.1 Å²	87.1	4%	0.042	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.8	173.9	60.2	-98.6	0	0	0	113.2	F483 N484 E485 M635 I677 V681 L714 G715 F718	F483-W487 HydrophobicContact CE1-CZ2 4.03Å; F483-W487 AromaticContact CE1-NE1 3.71Å; F483-W487 HydrophobicContact CZ-CZ2 4.38Å; N484-W487 PolarHBondContact O-NE1 2.94Å; E485-W487 PolarHBondContact O-N 2.63Å; W487-M635 HydrophobicContact CH2-CE 3.78Å; W487-M635 HydrophobicContact CH2-SD 3.77Å; W487-M635 HydrophobicContact CZ2-CE 3.72Å; W487-M635 HydrophobicContact CZ2-SD 3.64Å; W487-I677 HydrophobicContact CH2-CG2 4.06Å; W487-I677 HydrophobicContact CZ3-CG2 3.88Å; W487-V681 HydrophobicContact CD2-CG2 3.6Å; W487-V681 HydrophobicContact CE3-CG2 4Å; W487-V681 HydrophobicContact CG-CG2 3.93Å; W487-V681 HydrophobicContact CH2-CG2 4.42Å; W487-V681 HydrophobicContact CZ2-CG2 4.05Å; W487-V681 HydrophobicContact CZ3-CG2 4.39Å; W487-L714 HydrophobicContact CE3-CB 4.49Å; W487-G715 PolarHBondContact O-N 2.68Å; W487-F718 HydrophobicContact CH2-CB 4.42Å; W487-F718 HydrophobicContact CH2-CD1 4.45Å; W487-F718 AromaticContact CH2-CD2 3.98Å; W487-F718 HydrophobicContact CH2-CD2 3.98Å; W487-F718 HydrophobicContact CH2-CE2 4.41Å; W487-F718 HydrophobicContact CH2-CG 4.01Å; W487-F718 HydrophobicContact CZ3-CB 3.84Å; W487-F718 HydrophobicContact CZ3-CD1 4.37Å; W487-F718 HydrophobicContact CZ3-CD2 4.26Å; W487-F718 AromaticContact CZ3-CG 3.89Å; W487-F718 HydrophobicContact CZ3-CG 3.89Å
488	K	79.7	Confident	77.5	Confident	47 Å²	47	84.6 Å²	84.6	20%	0.204	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-40.1	170.3	-63.2	178.5	-174.2	175.8	0	112.1	E485 E486 G715 F718	E485-K488 HydrophobicContact CB-CD 4.13Å; E485-K488 VanDerWaalsContact O-CB 3.3Å; E485-K488 WeakPolarHBondContact O-CB 3.45Å; E485-K488 WeakPolarHBondContact O-CG 3.26Å; E485-K488 PolarHBondContact O-N 3.07Å; E485-K488 IonicContact OE1-NZ 2.91Å; E485-K488 PolarHBondContact OE1-NZ 2.97Å; E485-K488 IonicContact OE2-NZ 2.63Å; E485-K488 PolarHBondContact OE2-NZ 3.12Å; E486-K488 PolarHBondContact O-N 3.24Å; K488-G715 WeakPolarHBondContact O-CA 3.5Å; K488-F718 HydrophobicContact CD-CD1 4.08Å; K488-F718 HydrophobicContact CD-CE1 3.78Å; K488-F718 HydrophobicContact CG-CD1 4Å; K488-F718 HydrophobicContact CG-CE1 4.22Å
489	D	68.2	Low	78	Confident	131 Å²	131	85.6 Å²	85.6	70%	0.701	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-25.3	-171	-51.1	-47.9	0	0	0	112.4	E486 K491	E486-D489 PolarHBondContact O-N 3.48Å; E486-D489 VanDerWaalsContact O-N 3.15Å; D489-K491 PolarHBondContact O-N 2.91Å
490	K	55.8	Low	79	Confident	99 Å²	99	80.7 Å²	80.7	43%	0.43	40%	0.402	S	S	.	.			trans	-76.4	110.3	-177.9	-75.3	173.4	-177.8	173.2	0	112.4	E486 L492	E486-K490 HydrophobicContact CB-CD 4.37Å; E486-K490 WeakPolarHBondContact O-CB 3.26Å; E486-K490 WeakPolarHBondContact O-CG 3.28Å; E486-K490 PolarHBondContact O-N 2.9Å; E486-K490 VanDerWaalsContact O-N 3.08Å; E486-K490 VanDerWaalsContact OE2-CE 3.25Å; E486-K490 WeakPolarHBondContact OE2-CE 3.47Å; E486-K490 IonicContact OE2-NZ 2.58Å; E486-K490 PolarHBondContact OE2-NZ 3.42Å; K490-L492 PolarHBondContact O-N 3.44Å
491	K	56.1	Low	80	Confident	187 Å²	187	73.3 Å²	73.3	81%	0.813	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	13.8	163	-61.8	-175	178.8	-179.6	0	115.1	D489	D489-K491 PolarHBondContact O-N 2.91Å
492	L	56.5	Low	81	Confident	158 Å²	158	67.8 Å²	67.8	83%	0.827	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	-9.4	-163	-65.3	173.4	0	0	0	114.5	K490	K490-L492 PolarHBondContact O-N 3.44Å
493	R	78.4	Confident	81.6	Confident	66 Å²	66	69.2 Å²	69.2	25%	0.249	34%	0.341	C	S	.	.			trans	-102.3	109	179.2	-152.1	168.4	-174.6	-162.6	0.6	110.7	G680 V681 D683 T713 L714	R493-G680 PolarHBondContact NE-O 3.5Å; R493-G680 PolarHBondContact NH1-O 3.43Å; R493-G680 PolarHBondContact NH2-O 3.3Å; R493-V681 PolarHBondContact NH1-O 3.37Å; R493-V681 PolarHBondContact NH2-O 3.06Å; R493-D683 IonicContact CZ-OD1 3.19Å; R493-D683 IonicContact NE-OD1 2.68Å; R493-D683 PolarHBondContact NE-OD1 3.18Å; R493-D683 VanDerWaalsContact NE-OD1 3.15Å; R493-D683 VanDerWaalsContact NH2-CG 3.29Å; R493-D683 IonicContact NH2-OD1 2.72Å; R493-D683 PolarHBondContact NH2-OD1 2.91Å; R493-T713 VanDerWaalsContact O-CA 3.28Å; R493-T713 WeakPolarHBondContact O-CA 3.35Å; R493-T713 WeakPolarHBondContact O-CB 3.35Å; R493-L714 HydrophobicContact CB-CD1 4.11Å; R493-L714 HydrophobicContact CG-CD1 3.73Å; R493-L714 PolarHBondContact O-N 3.2Å
494	S	88.3	Confident	82.1	Confident	91 Å²	91	69.3 Å²	69.3	64%	0.636	34%	0.341	S	S	*	.	B	Isolated β-bridge	trans	-65.7	164.3	177.8	47.2	0	0	0	0	112.4
495	L	94.1	Very high	83	Confident	10 Å²	10	67.6 Å²	67.6	5%	0.052	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-66.6	144.8	167.7	-55.1	-170.8	0	0	0	110.5	M707 V712 L714 L717	L495-M707 HydrophobicContact CD1-CB 3.69Å; L495-M707 HydrophobicContact CD1-CE 3.9Å; L495-M707 HydrophobicContact CD1-SD 4.3Å; L495-V712 WeakPolarHBondContact CG-O 3.42Å; L495-L714 HydrophobicContact CD2-CD2 3.82Å; L495-L714 HydrophobicContact CD2-CG 4.49Å; L495-L717 HydrophobicContact CD1-CD2 4.26Å; L495-L717 HydrophobicContact CD2-CB 4.3Å; L495-L717 HydrophobicContact CD2-CD2 3.6Å
496	P	95.6	Very high	83.7	Confident	15 Å²	15	64.5 Å²	64.5	10%	0.097	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-63.6	171.3	179.3	29.1	-37.7	0	0	0	112.6	V498 V676 A679 K708	P496-V498 HydrophobicContact CG-CG2 4.22Å; P496-V676 HydrophobicContact CG-CG1 4.18Å; P496-V676 WeakPolarHBondContact CG-O 3.47Å; P496-A679 HydrophobicContact CG-CB 4.21Å; P496-K708 WeakPolarHBondContact O-CE 3.32Å; P496-K708 PolarHBondContact O-NZ 2.92Å
497	E	96.4	Very high	84.4	Confident	120 Å²	120	60.6 Å²	60.6	56%	0.561	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-63.9	137.5	158.6	-175.5	159.5	-145.1	0	0	109.8	P685 L686	E497-P685 HydrophobicContact CB-CB 4.07Å; E497-P685 HydrophobicContact CB-CG 4.25Å; E497-P685 WeakPolarHBondContact O-CA 3.39Å; E497-L686 PolarHBondContact O-N 2.83Å
498	V	97.5	Very high	85	Confident	25 Å²	25	60.5 Å²	60.5	15%	0.152	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	107.9	-179.8	-174.6	0	0	0	0	107.6	P496 F500 F672 V676 L686 I704	P496-V498 HydrophobicContact CG-CG2 4.22Å; V498-F500 HydrophobicContact CG1-CD2 4.15Å; V498-F500 HydrophobicContact CG1-CE2 3.83Å; V498-F672 HydrophobicContact CG1-CE2 4.03Å; V498-F672 HydrophobicContact CG1-CZ 4.14Å; V498-V676 HydrophobicContact CG2-CG1 4.48Å; V498-V676 HydrophobicContact CG2-CG2 4.21Å; V498-L686 CarbonylContact C-O 3.35Å; V498-L686 WeakPolarHBondContact CA-O 3.49Å; V498-L686 HydrophobicContact CG1-CB 4.44Å; V498-L686 HydrophobicContact CG2-CB 4.3Å; V498-I704 HydrophobicContact CG2-CD1 4.25Å
499	E	95.4	Very high	85.6	Confident	51 Å²	51	58.3 Å²	58.3	24%	0.238	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	152.6	173.1	-170.9	169.7	-165.2	0	0	109.8	F501 L686 H687 F688	E499-F501 HydrophobicContact CB-CE2 3.9Å; E499-F501 HydrophobicContact CB-CZ 4.24Å; E499-F501 HydrophobicContact CG-CD2 4.43Å; E499-F501 HydrophobicContact CG-CE1 4.42Å; E499-F501 HydrophobicContact CG-CE2 3.66Å; E499-F501 HydrophobicContact CG-CZ 3.67Å; E499-F501 VanDerWaalsContact OE2-CZ 3.26Å; E499-F501 WeakPolarHBondContact OE2-CZ 3.21Å; E499-L686 PolarHBondContact N-O 3.38Å; E499-H687 IonicContact OE2-CE1 2.66Å; E499-F688 PolarHBondContact O-N 2.88Å
500	F	94.4	Very high	86.8	Confident	12 Å²	12	52 Å²	52	5%	0.053	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.8	-174.3	-95.9	-89.4	0	0	0	110.9	V498 F672 F688 A697 C700 K701	V498-F500 HydrophobicContact CG1-CD2 4.15Å; V498-F500 HydrophobicContact CG1-CE2 3.83Å; F500-F672 AromaticContact CE2-CE2 3.62Å; F500-F672 HydrophobicContact CE2-CE2 3.62Å; F500-F672 AromaticContact CE2-CZ 3.73Å; F500-F672 HydrophobicContact CE2-CZ 3.73Å; F500-F672 AromaticContact CZ-CD2 3.91Å; F500-F672 HydrophobicContact CZ-CD2 3.91Å; F500-F672 AromaticContact CZ-CE2 3.36Å; F500-F672 HydrophobicContact CZ-CE2 3.36Å; F500-F672 AromaticContact CZ-CZ 3.77Å; F500-F672 HydrophobicContact CZ-CZ 3.77Å; F500-F688 WeakPolarHBondContact CA-O 3.48Å; F500-F688 HydrophobicContact CD1-CB 3.94Å; F500-F688 AromaticContact CD1-CD1 3.9Å; F500-F688 HydrophobicContact CD1-CD1 3.9Å; F500-F688 HydrophobicContact CD1-CG 4.27Å; F500-F688 HydrophobicContact CD2-CB 4.42Å; F500-F688 HydrophobicContact CE1-CB 3.86Å; F500-F688 AromaticContact CE1-CD1 3.31Å; F500-F688 HydrophobicContact CE1-CD1 3.31Å; F500-F688 HydrophobicContact CE1-CE1 4.04Å; F500-F688 AromaticContact CE1-CG 3.75Å; F500-F688 HydrophobicContact CE1-CG 3.75Å; F500-F688 HydrophobicContact CE2-CB 4.35Å; F500-F688 HydrophobicContact CG-CB 4.21Å; F500-F688 HydrophobicContact CZ-CB 4.06Å; F500-F688 AromaticContact CZ-CD1 3.92Å; F500-F688 HydrophobicContact CZ-CD1 3.92Å; F500-F688 AromaticContact CZ-CG 3.97Å; F500-F688 HydrophobicContact CZ-CG 3.97Å; F500-A697 HydrophobicContact CD1-CB 3.6Å; F500-A697 HydrophobicContact CE1-CB 3.98Å; F500-A697 HydrophobicContact CG-CB 4.31Å; F500-C700 HydrophobicContact CE1-CB 4.01Å; F500-C700 HydrophobicContact CE2-CB 3.73Å; F500-C700 HydrophobicContact CZ-CB 3.24Å; F500-K701 HydrophobicContact CB-CD 4.44Å; F500-K701 HydrophobicContact CB-CG 4.49Å; F500-K701 HydrophobicContact CD2-CG 3.93Å; F500-K701 HydrophobicContact CG-CG 4.36Å
501	F	92.4	Very high	88.8	Confident	7 Å²	7	47.3 Å²	47.3	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	109	-177.4	-59.1	-93.5	0	0	0	109.6	M245 E249 E499 M504 H687 F688 C689 S690	M245-F501 HydrophobicContact CE-CD1 4.02Å; M245-F501 HydrophobicContact CE-CE1 3.95Å; M245-F501 HydrophobicContact SD-CD1 4.44Å; E249-F501 HydrophobicContact CG-CZ 4.3Å; E499-F501 HydrophobicContact CB-CE2 3.9Å; E499-F501 HydrophobicContact CB-CZ 4.24Å; E499-F501 HydrophobicContact CG-CD2 4.43Å; E499-F501 HydrophobicContact CG-CE1 4.42Å; E499-F501 HydrophobicContact CG-CE2 3.66Å; E499-F501 HydrophobicContact CG-CZ 3.67Å; E499-F501 VanDerWaalsContact OE2-CZ 3.26Å; E499-F501 WeakPolarHBondContact OE2-CZ 3.21Å; F501-M504 HydrophobicContact CB-CB 3.71Å; F501-M504 HydrophobicContact CB-CE 3.85Å; F501-M504 HydrophobicContact CB-SD 4.44Å; F501-M504 HydrophobicContact CD1-CE 3.9Å; F501-M504 HydrophobicContact CD1-SD 4.02Å; F501-M504 HydrophobicContact CD2-CE 3.82Å; F501-M504 HydrophobicContact CE1-CE 4.42Å; F501-M504 HydrophobicContact CE2-CE 4.37Å; F501-M504 HydrophobicContact CG-CB 4.48Å; F501-M504 HydrophobicContact CG-CE 3.57Å; F501-M504 HydrophobicContact CG-SD 4.23Å; F501-H687 HydrophobicContact CD2-CB 4.22Å; F501-H687 HydrophobicContact CE2-CB 3.7Å; F501-H687 AromaticContact CE2-CG 3.65Å; F501-H687 AromaticContact CE2-ND1 3.37Å; F501-H687 WeakPolarHBondContact CE2-ND1 3.16Å; F501-H687 AromaticContact CZ-ND1 3.56Å; F501-F688 PolarHBondContact N-O 2.99Å; F501-C689 WeakPolarHBondContact O-CA 3.41Å; F501-S690 PolarHBondContact O-N 2.84Å; F501-S690 VanDerWaalsContact O-N 3.07Å
502	D	88.3	Confident	90.7	Very high	41 Å²	41	38.5 Å²	38.5	22%	0.219	20%	0.198	C	C	.	.	S	Bend	trans	-83.1	-24.3	-168.3	-65.9	-59	0	0	0	114	S690 G692 P694 A697 K701	D502-S690 WeakPolarHBondContact CA-OG 3.23Å; D502-S690 WeakPolarHBondContact OD1-CB 3.48Å; D502-S690 PolarHBondContact OD1-OG 3.18Å; D502-G692 WeakPolarHBondContact O-CA 3.38Å; D502-G692 PolarHBondContact O-N 2.76Å; D502-P694 HydrophobicContact CB-CB 4.47Å; D502-A697 WeakPolarHBondContact OD1-CB 3.26Å; D502-K701 IonicContact OD2-NZ 2.59Å; D502-K701 PolarHBondContact OD2-NZ 2.92Å; D502-K701 VanDerWaalsContact OD2-NZ 3.13Å
503	E	83.8	Confident	92.7	Very high	125 Å²	125	31 Å²	31	58%	0.584	16%	0.158	S	C	*	.	S	Bend	trans	-117.4	7.9	179.8	-65.4	-169.8	-143.9	0	0	114.6	R242	R242-E503 WeakPolarHBondContact CD-O 3.29Å; R242-E503 HydrophobicContact CG-CB 3.96Å; R242-E503 IonicContact CZ-OE2 3.23Å; R242-E503 VanDerWaalsContact CZ-OE2 3.3Å; R242-E503 IonicContact NE-OE2 3.6Å; R242-E503 PolarHBondContact NE-OE2 2.88Å; R242-E503 IonicContact NH2-OE2 2.71Å; R242-E503 PolarHBondContact NH2-OE2 3.29Å
504	M	88.4	Confident	93.6	Very high	14 Å²	14	27.9 Å²	27.9	7%	0.069	15%	0.147	C	C	.	.			trans	-103.1	141.6	-176.2	-165.9	179.4	74.4	0	0	111	Y246 F501 D508 T509 C689	Y246-M504 HydrophobicContact CD2-CE 4.08Å; Y246-M504 HydrophobicContact CD2-SD 3.48Å; Y246-M504 WeakPolarHBondContact CD2-SD 3.4Å; Y246-M504 HydrophobicContact CE2-CE 4.35Å; Y246-M504 HydrophobicContact CE2-SD 4.2Å; Y246-M504 HydrophobicContact CG-SD 3.75Å; F501-M504 HydrophobicContact CB-CB 3.71Å; F501-M504 HydrophobicContact CB-CE 3.85Å; F501-M504 HydrophobicContact CB-SD 4.44Å; F501-M504 HydrophobicContact CD1-CE 3.9Å; F501-M504 HydrophobicContact CD1-SD 4.02Å; F501-M504 HydrophobicContact CD2-CE 3.82Å; F501-M504 HydrophobicContact CE1-CE 4.42Å; F501-M504 HydrophobicContact CE2-CE 4.37Å; F501-M504 HydrophobicContact CG-CB 4.48Å; F501-M504 HydrophobicContact CG-CE 3.57Å; F501-M504 HydrophobicContact CG-SD 4.23Å; M504-D508 HydrophobicContact CG-CB 3.75Å; M504-T509 HydrophobicContact CE-CG2 3.46Å; M504-T509 VanDerWaalsContact CE-CG2 3.46Å; M504-T509 HydrophobicContact SD-CG2 3.96Å; M504-C689 WeakPolarHBondContact O-CB 3.13Å; M504-C689 PolarHBondContact O-SG 2.77Å
505	L	93.3	Very high	94.2	Very high	52 Å²	52	23.6 Å²	23.6	27%	0.272	12%	0.116	S	C	.	.			trans	-90.8	170.9	173.5	-56.3	173.6	0	0	0	111	E507 D508 Y571 F691	L505-E507 VanDerWaalsContact CB-OE1 3.25Å; L505-E507 WeakPolarHBondContact CB-OE1 3.36Å; L505-E507 WeakPolarHBondContact CD1-OE1 3.33Å; L505-D508 PolarHBondContact N-OD2 2.86Å; L505-D508 VanDerWaalsContact N-OD2 3.1Å; L505-Y571 HydrophobicContact CD1-CE1 4.49Å; L505-F691 HydrophobicContact CD2-CD1 4.18Å; L505-F691 HydrophobicContact CD2-CE1 4.5Å
506	I	95.9	Very high	94.4	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	11%	0.114	C	C	.	.	S	Bend	trans	-72.2	-44.8	-179.1	-68	175.8	0	0	0	109.4	D508 T509 Q514 F517 V655 C689 F691	I506-D508 VanDerWaalsContact C-N 3.28Å; I506-D508 PolarHBondContact O-N 3.07Å; I506-T509 WeakPolarHBondContact O-CB 3.27Å; I506-T509 PolarHBondContact O-N 3.23Å; I506-T509 PolarHBondContact O-OG1 3.21Å; I506-Q514 HydrophobicContact CG2-CB 3.62Å; I506-Q514 HydrophobicContact CG2-CG 3.86Å; I506-Q514 PolarHBondContact O-NE2 2.99Å; I506-F517 HydrophobicContact CD1-CE1 3.92Å; I506-F517 HydrophobicContact CD1-CE2 4.4Å; I506-F517 HydrophobicContact CD1-CZ 3.64Å; I506-V655 HydrophobicContact CB-CG1 4.34Å; I506-V655 HydrophobicContact CG1-CG1 4.31Å; I506-V655 HydrophobicContact CG2-CB 4.48Å; I506-V655 HydrophobicContact CG2-CG1 4.08Å; I506-C689 HydrophobicContact CG1-CB 4.42Å; I506-F691 HydrophobicContact CD1-CZ 3.94Å; I506-F691 HydrophobicContact CG1-CE1 4.27Å; I506-F691 HydrophobicContact CG1-CZ 4.06Å
507	E	94	Very high	94.5	Very high	8 Å²	8	24 Å²	24	4%	0.037	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-4.8	179.9	65.7	-73.7	170.7	0	0	115	L505 T509 M540 Y571	L505-E507 VanDerWaalsContact CB-OE1 3.25Å; L505-E507 WeakPolarHBondContact CB-OE1 3.36Å; L505-E507 WeakPolarHBondContact CD1-OE1 3.33Å; E507-T509 PolarHBondContact O-N 3.28Å; E507-M540 HydrophobicContact CG-CE 3.93Å; E507-M540 HydrophobicContact CG-SD 3.92Å; E507-Y571 WeakPolarHBondContact OE1-CE1 3.34Å; E507-Y571 PolarHBondContact OE1-OH 2.88Å; E507-Y571 VanDerWaalsContact OE1-OH 3.09Å
508	D	91.7	Very high	94.6	Very high	10 Å²	10	18.3 Å²	18.3	5%	0.053	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.5	164.8	-101.9	-53.1	0	0	0	112	M504 L505 I506 N586 R589	M504-D508 HydrophobicContact CG-CB 3.75Å; L505-D508 PolarHBondContact N-OD2 2.86Å; L505-D508 VanDerWaalsContact N-OD2 3.1Å; I506-D508 VanDerWaalsContact C-N 3.28Å; I506-D508 PolarHBondContact O-N 3.07Å; D508-N586 WeakPolarHBondContact OD1-CB 3.27Å; D508-N586 PolarHBondContact OD1-ND2 3.39Å; D508-R589 WeakPolarHBondContact O-CD 3.43Å; D508-R589 PolarHBondContact O-NH1 2.98Å; D508-R589 IonicContact OD1-CZ 3.77Å; D508-R589 IonicContact OD1-NH1 2.91Å; D508-R589 PolarHBondContact OD1-NH1 3.24Å; D508-R589 IonicContact OD1-NH2 3.73Å
509	T	93.3	Very high	94.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.086	C	C	.	.			trans	-92	165.6	-167.1	64.7	0	0	0	0	113.9	Y246 M504 I506 E507 C512 Q514 V655	Y246-T509 HydrophobicContact CD2-CG2 4.39Å; Y246-T509 HydrophobicContact CE1-CG2 4.4Å; Y246-T509 HydrophobicContact CE2-CG2 3.73Å; Y246-T509 VanDerWaalsContact OH-CB 3.31Å; Y246-T509 WeakPolarHBondContact OH-CB 3.33Å; M504-T509 HydrophobicContact CE-CG2 3.46Å; M504-T509 VanDerWaalsContact CE-CG2 3.46Å; M504-T509 HydrophobicContact SD-CG2 3.96Å; I506-T509 WeakPolarHBondContact O-CB 3.27Å; I506-T509 PolarHBondContact O-N 3.23Å; I506-T509 PolarHBondContact O-OG1 3.21Å; E507-T509 PolarHBondContact O-N 3.28Å; T509-C512 PolarHBondContact OG1-SG 2.85Å; T509-Q514 PolarHBondContact O-NE2 2.94Å; T509-Q514 WeakPolarHBondContact OG1-CG 3.23Å; T509-Q514 PolarHBondContact OG1-NE2 3.3Å; T509-V655 HydrophobicContact CG2-CG1 3.78Å; T509-V655 HydrophobicContact CG2-CG2 4.08Å
510	A	94.3	Very high	94.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.			trans	-145.9	165.7	172.8	0	0	0	0	0	111.1	Y246 L250 H253 C512 R589 Q590 F595 V604	Y246-A510 PolarHBondContact OH-N 3.39Å; Y246-A510 PolarHBondContact OH-O 3.12Å; L250-A510 HydrophobicContact CD1-CB 3.85Å; H253-A510 PolarHBondContact ND1-O 3.33Å; A510-C512 VanDerWaalsContact C-N 3.35Å; A510-C512 PolarHBondContact O-N 2.8Å; A510-C512 PolarHBondContact O-SG 2.88Å; A510-R589 HydrophobicContact CB-CB 4.42Å; A510-Q590 HydrophobicContact CB-CB 4.15Å; A510-F595 HydrophobicContact CB-CD2 4.14Å; A510-F595 HydrophobicContact CB-CE2 3.94Å; A510-V604 HydrophobicContact CB-CG2 4.31Å
511	L	96.1	Very high	94.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	53.4	47	-179.5	-57	-176.4	0	0	0	113.5	L250 H253 V254 F257 F595 R603	L250-L511 HydrophobicContact CD1-CB 4.37Å; L250-L511 HydrophobicContact CD1-CD1 4.07Å; L250-L511 HydrophobicContact CD1-CG 4.13Å; H253-L511 HydrophobicContact CB-CB 3.51Å; H253-L511 HydrophobicContact CB-CD1 4.17Å; H253-L511 HydrophobicContact CB-CG 4.49Å; H253-L511 PolarHBondContact ND1-O 2.85Å; V254-L511 HydrophobicContact CB-CD1 4.18Å; V254-L511 HydrophobicContact CG2-CD1 3.42Å; V254-L511 VanDerWaalsContact CG2-CD1 3.42Å; F257-L511 HydrophobicContact CD2-CB 4.01Å; F257-L511 HydrophobicContact CD2-CD2 4.43Å; F257-L511 HydrophobicContact CE2-CB 4.01Å; F257-L511 WeakPolarHBondContact CE2-O 3.48Å; L511-F595 HydrophobicContact CD1-CD1 3.97Å; L511-F595 HydrophobicContact CD1-CE1 3.81Å; L511-F595 HydrophobicContact CD1-CE2 4.46Å; L511-F595 HydrophobicContact CD1-CG 4.39Å; L511-F595 HydrophobicContact CD1-CZ 4.07Å; L511-F595 HydrophobicContact CD2-CB 3.96Å; L511-F595 HydrophobicContact CD2-CD1 4.02Å; L511-F595 HydrophobicContact CD2-CD2 4.16Å; L511-F595 HydrophobicContact CD2-CG 3.77Å; L511-F595 HydrophobicContact CG-CD1 4.23Å; L511-F595 HydrophobicContact CG-CD2 4.13Å; L511-F595 HydrophobicContact CG-CE1 4.36Å; L511-F595 HydrophobicContact CG-CE2 4.27Å; L511-F595 HydrophobicContact CG-CG 4.13Å; L511-F595 HydrophobicContact CG-CZ 4.38Å; L511-R603 VanDerWaalsContact CA-O 3.29Å; L511-R603 WeakPolarHBondContact CA-O 3.35Å; L511-R603 HydrophobicContact CD2-CB 3.57Å
512	C	96.8	Very high	95	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	10%	0.1	C	C	.	.	S	Bend	trans	-157.1	178	-175.8	53.6	0	0	0	0	112.1	T509 A510 E605 P653 V655	T509-C512 PolarHBondContact OG1-SG 2.85Å; A510-C512 VanDerWaalsContact C-N 3.35Å; A510-C512 PolarHBondContact O-N 2.8Å; A510-C512 PolarHBondContact O-SG 2.88Å; C512-E605 PolarHBondContact O-N 3.18Å; C512-P653 HydrophobicContact CB-CG 3.98Å; C512-V655 HydrophobicContact CB-CG2 3.93Å
513	T	98.3	Very high	95.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	111.8	168.9	-64.8	0	0	0	0	108.9	E605 I607 P653 I654 V655 R684	T513-E605 WeakPolarHBondContact CB-OE2 3.5Å; T513-E605 HydrophobicContact CG2-CG 4.14Å; T513-E605 WeakPolarHBondContact CG2-OE2 3.49Å; T513-E605 PolarHBondContact OG1-OE2 3.29Å; T513-I607 HydrophobicContact CG2-CB 3.99Å; T513-I607 HydrophobicContact CG2-CG2 3.35Å; T513-P653 PolarHBondContact N-O 3Å; T513-P653 VanDerWaalsContact N-O 3.12Å; T513-I654 HydrophobicContact CG2-CD1 3.83Å; T513-I654 CarbonylContact O-C 3.58Å; T513-V655 PolarHBondContact O-N 3.24Å; T513-R684 PolarHBondContact OG1-NH1 3.39Å; T513-R684 VanDerWaalsContact OG1-NH1 3.08Å; T513-R684 PolarHBondContact OG1-NH2 3.11Å
514	Q	98.6	Very high	96	Very high	2 Å²	2	14 Å²	14	1%	0.009	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.3	176.3	-71.9	171.3	-4.3	0	0	110.4	I506 T509 V604 E605 T606 I607	I506-Q514 HydrophobicContact CG2-CB 3.62Å; I506-Q514 HydrophobicContact CG2-CG 3.86Å; I506-Q514 PolarHBondContact O-NE2 2.99Å; T509-Q514 PolarHBondContact O-NE2 2.94Å; T509-Q514 WeakPolarHBondContact OG1-CG 3.23Å; T509-Q514 PolarHBondContact OG1-NE2 3.3Å; Q514-V604 HydrophobicContact CG-CG1 4.22Å; Q514-E605 PolarHBondContact N-O 3.4Å; Q514-T606 CarbonylContact O-C 3.48Å; Q514-T606 VanDerWaalsContact O-CA 3.28Å; Q514-T606 WeakPolarHBondContact O-CA 3.44Å; Q514-I607 PolarHBondContact O-N 2.91Å
515	V	98.9	Very high	96.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.8	178.5	-176	0	0	0	0	110.8	F517 Q533 I607 I609 F642 I654 V655	V515-F517 HydrophobicContact CB-CE1 4.31Å; V515-F517 HydrophobicContact CG1-CD1 3.92Å; V515-F517 HydrophobicContact CG1-CE1 3.98Å; V515-Q533 PolarHBondContact O-NE2 2.95Å; V515-I607 HydrophobicContact CG2-CG2 4.06Å; V515-I609 HydrophobicContact CG1-CD1 3.81Å; V515-I609 HydrophobicContact CG1-CG1 3.78Å; V515-F642 HydrophobicContact CG2-CD1 4.41Å; V515-F642 HydrophobicContact CG2-CE1 3.62Å; V515-F642 HydrophobicContact CG2-CZ 4.27Å; V515-I654 HydrophobicContact CG2-CG2 3.55Å; V515-V655 WeakPolarHBondContact CG2-O 3.34Å; V515-V655 PolarHBondContact N-O 3.04Å
516	D	98.8	Very high	96.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.8	171.6	171.9	29.5	0	0	0	108.6	A518 E534 T606 I607 A608 I609	D516-A518 PolarHBondContact O-N 2.88Å; D516-E534 WeakPolarHBondContact OD1-CA 3.22Å; D516-E534 WeakPolarHBondContact OD1-CB 3.33Å; D516-T606 HydrophobicContact CB-CG2 3.63Å; D516-I607 PolarHBondContact N-O 3.32Å; D516-A608 HydrophobicContact CB-CB 4.37Å; D516-I609 PolarHBondContact O-N 3.23Å
517	F	98.3	Very high	96.5	Very high	34 Å²	34	11.5 Å²	11.5	15%	0.149	6%	0.063	C	C	.	.			trans	-81.7	53.4	-174.4	-56.7	-18.7	0	0	0	110.9	I506 V515 Q533 W659 F691	I506-F517 HydrophobicContact CD1-CE1 3.92Å; I506-F517 HydrophobicContact CD1-CE2 4.4Å; I506-F517 HydrophobicContact CD1-CZ 3.64Å; V515-F517 HydrophobicContact CB-CE1 4.31Å; V515-F517 HydrophobicContact CG1-CD1 3.92Å; V515-F517 HydrophobicContact CG1-CE1 3.98Å; F517-Q533 HydrophobicContact CD2-CB 4.19Å; F517-Q533 HydrophobicContact CD2-CG 4.28Å; F517-Q533 VanDerWaalsContact CG-OE1 3.29Å; F517-W659 HydrophobicContact CD1-CB 3.79Å; F517-W659 AromaticContact CD1-CD1 3.62Å; F517-W659 HydrophobicContact CD1-CG 4.09Å; F517-W659 HydrophobicContact CE1-CB 3.76Å; F517-W659 HydrophobicContact CE1-CG 4.48Å; F517-W659 HydrophobicContact CG-CB 4.44Å; F517-W659 HydrophobicContact CZ-CB 4.38Å; F517-F691 AromaticContact CE2-CE2 3.99Å; F517-F691 HydrophobicContact CE2-CE2 3.99Å; F517-F691 HydrophobicContact CE2-CZ 4.27Å; F517-F691 HydrophobicContact CZ-CE2 4.23Å; F517-F691 HydrophobicContact CZ-CZ 4.3Å
518	A	97.8	Very high	96.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.			trans	-63.5	158.4	-161.6	0	0	0	0	0	114.5	D516 E534 M554 A608 D610	D516-A518 PolarHBondContact O-N 2.88Å; A518-E534 VanDerWaalsContact CA-CD 3.46Å; A518-E534 WeakPolarHBondContact CA-OE1 3.26Å; A518-E534 VanDerWaalsContact CB-OE1 3.29Å; A518-E534 WeakPolarHBondContact CB-OE1 3.35Å; A518-M554 HydrophobicContact CB-CE 4.06Å; A518-A608 HydrophobicContact CB-CB 3.74Å; A518-D610 VanDerWaalsContact O-CA 3.25Å; A518-D610 WeakPolarHBondContact O-CA 3.3Å
519	N	97.6	Very high	96.5	Very high	14 Å²	14	15.1 Å²	15.1	8%	0.075	8%	0.08	C	C	.	.			trans	-71	157.4	154.1	-166.9	-73	0	0	0	109.9	H521 E534 M554	N519-H521 CarbonylContact O-C 3.4Å; N519-H521 PolarHBondContact O-N 3.02Å; N519-H521 PolarHBondContact OD1-N 3.03Å; N519-E534 PolarHBondContact N-OE1 3.27Å; N519-E534 PolarHBondContact N-OE2 3.43Å; N519-M554 WeakPolarHBondContact O-CE 3.3Å
520	E	96.9	Very high	96.5	Very high	47 Å²	47	15.2 Å²	15.2	22%	0.22	8%	0.081	C	C	.	.	S	Bend	trans	-59.9	-26.8	170.9	46.4	159.2	-131.5	0	0	112.3	K553 M554 D610	E520-K553 HydrophobicContact CB-CG 4.25Å; E520-K553 HydrophobicContact CG-CG 4.49Å; E520-K553 CarbonylContact O-C 3.6Å; E520-K553 WeakPolarHBondContact O-CA 3.38Å; E520-K553 WeakPolarHBondContact OE1-CD 3.42Å; E520-K553 WeakPolarHBondContact OE1-CE 3.44Å; E520-K553 IonicContact OE1-NZ 3.49Å; E520-K553 PolarHBondContact OE1-NZ 2.89Å; E520-K553 WeakPolarHBondContact OE2-CE 3.48Å; E520-K553 IonicContact OE2-NZ 2.81Å; E520-K553 PolarHBondContact OE2-NZ 2.97Å; E520-M554 PolarHBondContact O-N 3.41Å; E520-D610 HydrophobicContact CB-CB 4.05Å
521	H	97	Very high	96.5	Very high	75 Å²	75	15.4 Å²	15.4	35%	0.347	8%	0.082	S	C	.	.	S	Bend	trans	-93.3	98.1	162.8	-59.1	91.4	0	0	0	109.4	N519 G523 G524	N519-H521 CarbonylContact O-C 3.4Å; N519-H521 PolarHBondContact O-N 3.02Å; N519-H521 PolarHBondContact OD1-N 3.03Å; H521-G523 PolarHBondContact O-N 2.99Å; H521-G524 PolarHBondContact O-N 2.71Å
522	L	97.9	Very high	96.4	Very high	10 Å²	10	16.7 Å²	16.7	5%	0.052	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.9	133	-178.4	-175	75.8	0	0	0	113.3	F538 M548 I560 I562 A608	L522-F538 HydrophobicContact CD1-CE2 4.41Å; L522-F538 HydrophobicContact CD1-CZ 3.78Å; L522-F538 HydrophobicContact CD2-CZ 4.19Å; L522-F538 HydrophobicContact CG-CE1 4.24Å; L522-F538 HydrophobicContact CG-CZ 3.69Å; L522-M548 WeakPolarHBondContact O-CG 3.18Å; L522-I560 HydrophobicContact CB-CD1 4.03Å; L522-I560 HydrophobicContact CD1-CD1 4.37Å; L522-I560 HydrophobicContact CD2-CD1 4.04Å; L522-I560 HydrophobicContact CD2-CG2 4.05Å; L522-I560 HydrophobicContact CG-CD1 4.38Å; L522-I562 HydrophobicContact CD2-CD1 4.34Å; L522-A608 HydrophobicContact CD1-CB 3.38Å
523	G	96.7	Very high	96.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-8.6	-176.4	0	0	0	0	0	113.9	H521 G525 V526 E534	H521-G523 PolarHBondContact O-N 2.99Å; G523-G525 PolarHBondContact O-N 2.95Å; G523-V526 WeakPolarHBondContact O-CB 3.09Å; G523-V526 WeakPolarHBondContact O-CG1 3.35Å; G523-V526 PolarHBondContact O-N 2.84Å; G523-E534 WeakPolarHBondContact CA-OE1 3.15Å; G523-E534 PolarHBondContact N-OE1 2.71Å
524	G	94.8	Very high	96.4	Very high	26 Å²	26	17.6 Å²	17.6	27%	0.268	9%	0.094	S	C	.	.	G	3₁₀ helix	trans	47.3	-130.3	170.7	0	0	0	0	0	114	H521 V526 E534	H521-G524 PolarHBondContact O-N 2.71Å; G524-V526 PolarHBondContact O-N 3.34Å; G524-E534 WeakPolarHBondContact CA-OE2 3.43Å; G524-E534 PolarHBondContact N-OE2 3.42Å
525	G	95.3	Very high	96.4	Very high	6 Å²	6	17.5 Å²	17.5	6%	0.062	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-80.3	16.8	179.4	0	0	0	0	0	114.8	K451 G523 L527 N528 G530 E535	K451-G525 PolarHBondContact NZ-O 3.18Å; G523-G525 PolarHBondContact O-N 2.95Å; G525-L527 PolarHBondContact O-N 3.27Å; G525-N528 CarbonylContact O-C 3.41Å; G525-N528 VanDerWaalsContact O-C 3.28Å; G525-N528 WeakPolarHBondContact O-CA 3.38Å; G525-N528 PolarHBondContact O-N 2.85Å; G525-G530 PolarHBondContact O-N 3.45Å; G525-G530 VanDerWaalsContact O-N 3.17Å; G525-E535 WeakPolarHBondContact CA-OE1 3.26Å; G525-E535 PolarHBondContact N-OE1 2.82Å
526	V	97.6	Very high	96.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-64.3	-28.5	-169.6	76.8	0	0	0	0	112.8	K451 G523 G524 E535 F538 L539 M545 M548	K451-V526 VanDerWaalsContact NZ-C 3.34Å; K451-V526 PolarHBondContact NZ-O 3.45Å; G523-V526 WeakPolarHBondContact O-CB 3.09Å; G523-V526 WeakPolarHBondContact O-CG1 3.35Å; G523-V526 PolarHBondContact O-N 2.84Å; G524-V526 PolarHBondContact O-N 3.34Å; V526-E535 HydrophobicContact CB-CB 3.96Å; V526-E535 HydrophobicContact CB-CG 3.81Å; V526-E535 HydrophobicContact CG2-CB 3.99Å; V526-E535 HydrophobicContact CG2-CG 4.4Å; V526-E535 VanDerWaalsContact N-CG 3.26Å; V526-F538 HydrophobicContact CB-CB 4.44Å; V526-F538 HydrophobicContact CG2-CB 3.93Å; V526-L539 HydrophobicContact CG2-CD1 4.49Å; V526-L539 HydrophobicContact CG2-CD2 4.23Å; V526-L539 HydrophobicContact CG2-CG 3.9Å; V526-M545 HydrophobicContact CG1-CE 4.2Å; V526-M545 HydrophobicContact CG2-CE 3.62Å; V526-M548 HydrophobicContact CG1-CE 3.94Å; V526-M548 HydrophobicContact CG1-SD 3.83Å
527	L	96.6	Very high	96.4	Very high	8 Å²	8	17.8 Å²	17.8	4%	0.042	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-87.3	-7.4	174.8	-52.9	-179.6	0	0	0	113.8	M426 P434 F437 R439 I440 G525 M548	M426-L527 HydrophobicContact CE-CD1 3.93Å; M426-L527 HydrophobicContact CE-CD2 3.78Å; P434-L527 VanDerWaalsContact O-CD1 3.26Å; P434-L527 WeakPolarHBondContact O-CD1 3.43Å; F437-L527 HydrophobicContact CD1-CD2 3.49Å; F437-L527 VanDerWaalsContact CD1-CD2 3.49Å; F437-L527 HydrophobicContact CE1-CD2 3.33Å; F437-L527 HydrophobicContact CZ-CD2 4.33Å; R439-L527 WeakPolarHBondContact CB-O 3.29Å; I440-L527 WeakPolarHBondContact CG1-O 3.32Å; I440-L527 PolarHBondContact N-O 2.78Å; G525-L527 PolarHBondContact O-N 3.27Å; L527-M548 HydrophobicContact CD1-CE 3.87Å; L527-M548 HydrophobicContact CD1-SD 4.43Å; L527-M548 HydrophobicContact CG-CE 4.07Å
528	N	93.4	Very high	96.4	Very high	18 Å²	18	16.2 Å²	16.2	10%	0.096	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-135.2	176.7	-89.9	-3.8	0	0	0	110.3	E20 R439 K451 G525	E20-N528 WeakPolarHBondContact OE1-CB 3.39Å; E20-N528 VanDerWaalsContact OE1-CG 3.32Å; E20-N528 PolarHBondContact OE1-ND2 3.44Å; R439-N528 WeakPolarHBondContact CB-OD1 3.41Å; R439-N528 WeakPolarHBondContact CD-OD1 3.36Å; R439-N528 PolarHBondContact NH1-ND2 2.83Å; K451-N528 PolarHBondContact NZ-O 3.27Å; G525-N528 CarbonylContact O-C 3.41Å; G525-N528 VanDerWaalsContact O-C 3.28Å; G525-N528 WeakPolarHBondContact O-CA 3.38Å; G525-N528 PolarHBondContact O-N 2.85Å
529	H	92.2	Very high	96.4	Very high	77 Å²	77	16.2 Å²	16.2	36%	0.356	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-10.7	-177.1	-50.8	107	0	0	0	114.3	S443 S531	S443-H529 WeakPolarHBondContact CB-NE2 3.46Å; S443-H529 PolarHBondContact OG-NE2 3.07Å; H529-S531 PolarHBondContact O-N 3.2Å; H529-S531 PolarHBondContact O-OG 3.45Å
530	G	92.3	Very high	96.5	Very high	2 Å²	2	15.5 Å²	15.5	2%	0.021	8%	0.084	C	C	.	.			trans	-51.1	131.5	178.7	0	0	0	0	0	112.1	K451 G525 E535	K451-G530 WeakPolarHBondContact CE-O 3.16Å; K451-G530 PolarHBondContact NZ-O 3.28Å; G525-G530 PolarHBondContact O-N 3.45Å; G525-G530 VanDerWaalsContact O-N 3.17Å; G530-E535 VanDerWaalsContact C-CG 3.45Å; G530-E535 WeakPolarHBondContact CA-OE1 3.3Å; G530-E535 WeakPolarHBondContact O-CB 3.21Å; G530-E535 WeakPolarHBondContact O-CG 3.44Å
531	S	94.5	Very high	96.6	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.021	7%	0.074	C	C	.	.			trans	-155	30.4	-168.2	38.8	0	0	0	0	111.7	H529 E535 I536 G575	H529-S531 PolarHBondContact O-N 3.2Å; H529-S531 PolarHBondContact O-OG 3.45Å; S531-E535 PolarHBondContact N-OE2 3.01Å; S531-E535 VanDerWaalsContact N-OE2 3.16Å; S531-I536 WeakPolarHBondContact O-CD1 3.13Å; S531-G575 WeakPolarHBondContact O-CA 3.05Å; S531-G575 PolarHBondContact O-N 3.33Å; S531-G575 VanDerWaalsContact OG-C 3.27Å; S531-G575 WeakPolarHBondContact OG-CA 3.4Å; S531-G575 PolarHBondContact OG-O 3.5Å
532	V	94.8	Very high	96.6	Very high	27 Å²	27	9.7 Å²	9.7	16%	0.164	6%	0.057	C	C	.	.	S	Bend	trans	-100.7	-164.8	173.4	-63.7	0	0	0	0	109.4	Y19 V23 E534 E535 I536 Y574	Y19-V532 WeakPolarHBondContact OH-CG2 3.42Å; V23-V532 HydrophobicContact CG2-CG1 4.38Å; V532-E534 PolarHBondContact O-N 3.25Å; V532-E535 WeakPolarHBondContact CG2-OE2 3.47Å; V532-E535 PolarHBondContact N-OE2 3.44Å; V532-E535 PolarHBondContact O-N 3.31Å; V532-I536 WeakPolarHBondContact O-CB 3.48Å; V532-I536 VanDerWaalsContact O-CG1 3.27Å; V532-I536 WeakPolarHBondContact O-CG1 3.3Å; V532-I536 PolarHBondContact O-N 2.65Å; V532-Y574 HydrophobicContact CB-CE1 4.02Å; V532-Y574 HydrophobicContact CB-CE2 4.38Å; V532-Y574 WeakPolarHBondContact CB-OH 2.9Å; V532-Y574 HydrophobicContact CG1-CD1 4.46Å; V532-Y574 HydrophobicContact CG1-CE1 3.73Å
533	Q	96.6	Very high	96.7	Very high	18 Å²	18	9.2 Å²	9.2	8%	0.084	6%	0.055	C	C	.	.	H	α-helix	trans	-57.7	-43	-164.1	-171.5	-99.3	-11.4	0	0	114.9	V515 F517 R537 Y574	V515-Q533 PolarHBondContact O-NE2 2.95Å; F517-Q533 HydrophobicContact CD2-CB 4.19Å; F517-Q533 HydrophobicContact CD2-CG 4.28Å; F517-Q533 VanDerWaalsContact CG-OE1 3.29Å; Q533-R537 WeakPolarHBondContact O-CB 3.4Å; Q533-R537 PolarHBondContact O-N 2.81Å; Q533-Y574 HydrophobicContact CB-CE2 4.4Å; Q533-Y574 PolarHBondContact N-OH 3.33Å
534	E	97.9	Very high	96.8	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.009	6%	0.055	C	C	.	.	H	α-helix	trans	-61.3	-55	175.4	177.2	175.8	-143.2	0	0	111	D516 A518 N519 G523 G524 V532 I536 R537 F538	D516-E534 WeakPolarHBondContact OD1-CA 3.22Å; D516-E534 WeakPolarHBondContact OD1-CB 3.33Å; A518-E534 VanDerWaalsContact CA-CD 3.46Å; A518-E534 WeakPolarHBondContact CA-OE1 3.26Å; A518-E534 VanDerWaalsContact CB-OE1 3.29Å; A518-E534 WeakPolarHBondContact CB-OE1 3.35Å; N519-E534 PolarHBondContact N-OE1 3.27Å; N519-E534 PolarHBondContact N-OE2 3.43Å; G523-E534 WeakPolarHBondContact CA-OE1 3.15Å; G523-E534 PolarHBondContact N-OE1 2.71Å; G524-E534 WeakPolarHBondContact CA-OE2 3.43Å; G524-E534 PolarHBondContact N-OE2 3.42Å; V532-E534 PolarHBondContact O-N 3.25Å; E534-I536 VanDerWaalsContact C-N 3.31Å; E534-I536 PolarHBondContact O-N 3.17Å; E534-R537 PolarHBondContact O-N 3.25Å; E534-R537 VanDerWaalsContact O-N 3.16Å; E534-F538 HydrophobicContact CG-CD2 4.1Å; E534-F538 HydrophobicContact CG-CE2 4.08Å; E534-F538 VanDerWaalsContact O-CD2 3.27Å; E534-F538 WeakPolarHBondContact O-CD2 3.33Å; E534-F538 PolarHBondContact O-N 3.42Å
535	E	98.6	Very high	97	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-65.6	-35.6	-175.8	-58.6	95.6	172.1	0	0	112.4	Y19 G525 V526 G530 S531 V532 F538 L539	Y19-E535 WeakPolarHBondContact CE1-OE1 3.45Å; Y19-E535 PolarHBondContact OH-OE1 3.37Å; Y19-E535 PolarHBondContact OH-OE2 3.21Å; G525-E535 WeakPolarHBondContact CA-OE1 3.26Å; G525-E535 PolarHBondContact N-OE1 2.82Å; V526-E535 HydrophobicContact CB-CB 3.96Å; V526-E535 HydrophobicContact CB-CG 3.81Å; V526-E535 HydrophobicContact CG2-CB 3.99Å; V526-E535 HydrophobicContact CG2-CG 4.4Å; V526-E535 VanDerWaalsContact N-CG 3.26Å; G530-E535 VanDerWaalsContact C-CG 3.45Å; G530-E535 WeakPolarHBondContact CA-OE1 3.3Å; G530-E535 WeakPolarHBondContact O-CB 3.21Å; G530-E535 WeakPolarHBondContact O-CG 3.44Å; S531-E535 PolarHBondContact N-OE2 3.01Å; S531-E535 VanDerWaalsContact N-OE2 3.16Å; V532-E535 WeakPolarHBondContact CG2-OE2 3.47Å; V532-E535 PolarHBondContact N-OE2 3.44Å; V532-E535 PolarHBondContact O-N 3.31Å; E535-F538 PolarHBondContact O-N 2.96Å; E535-L539 WeakPolarHBondContact O-CB 3.12Å; E535-L539 WeakPolarHBondContact O-CD1 3.1Å; E535-L539 WeakPolarHBondContact O-CG 3.44Å; E535-L539 PolarHBondContact O-N 3.06Å
536	I	98.4	Very high	97.1	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.01	4%	0.039	C	C	.	.	H	α-helix	trans	-62	-47.6	174.1	-71.5	168.9	0	0	0	110.3	S531 V532 E534 F538 L539 M540 Y571 Y574 L578	S531-I536 WeakPolarHBondContact O-CD1 3.13Å; V532-I536 WeakPolarHBondContact O-CB 3.48Å; V532-I536 VanDerWaalsContact O-CG1 3.27Å; V532-I536 WeakPolarHBondContact O-CG1 3.3Å; V532-I536 PolarHBondContact O-N 2.65Å; E534-I536 VanDerWaalsContact C-N 3.31Å; E534-I536 PolarHBondContact O-N 3.17Å; I536-F538 VanDerWaalsContact C-N 3.32Å; I536-F538 PolarHBondContact O-N 3.28Å; I536-L539 PolarHBondContact O-N 3.05Å; I536-L539 VanDerWaalsContact O-N 3.13Å; I536-M540 HydrophobicContact CG2-CG 4.42Å; I536-M540 HydrophobicContact CG2-SD 4.01Å; I536-M540 WeakPolarHBondContact O-CG 3.16Å; I536-M540 PolarHBondContact O-N 3.45Å; I536-Y571 HydrophobicContact CD1-CD2 4.34Å; I536-Y571 HydrophobicContact CD1-CE2 3.98Å; I536-Y571 HydrophobicContact CG2-CD1 3.64Å; I536-Y571 HydrophobicContact CG2-CD2 4.09Å; I536-Y571 HydrophobicContact CG2-CE1 3.5Å; I536-Y571 HydrophobicContact CG2-CE2 3.96Å; I536-Y571 HydrophobicContact CG2-CG 3.92Å; I536-Y574 HydrophobicContact CD1-CD2 3.46Å; I536-Y574 VanDerWaalsContact CD1-CD2 3.46Å; I536-Y574 HydrophobicContact CD1-CE2 3.86Å; I536-Y574 HydrophobicContact CD1-CG 4.36Å; I536-L578 HydrophobicContact CD1-CD1 3.99Å; I536-L578 HydrophobicContact CD1-CD2 4.35Å; I536-L578 HydrophobicContact CG1-CD1 3.87Å; I536-L578 HydrophobicContact CG1-CD2 3.68Å; I536-L578 HydrophobicContact CG1-CG 4.38Å
537	R	98.3	Very high	97.2	Very high	5 Å²	5	7.7 Å²	7.7	2%	0.019	4%	0.039	C	C	.	.	H	α-helix	trans	-62.2	-40.3	179	-178.3	59.1	179.7	179	0.4	111.5	Q533 E534 M540 C541 M544 T606	Q533-R537 WeakPolarHBondContact O-CB 3.4Å; Q533-R537 PolarHBondContact O-N 2.81Å; E534-R537 PolarHBondContact O-N 3.25Å; E534-R537 VanDerWaalsContact O-N 3.16Å; R537-M540 PolarHBondContact O-N 3.21Å; R537-C541 WeakPolarHBondContact O-CB 3.4Å; R537-C541 PolarHBondContact O-N 3.38Å; R537-M544 HydrophobicContact CG-CE 3.98Å; R537-M544 HydrophobicContact CG-SD 3.84Å; R537-T606 HydrophobicContact CG-CG2 4.42Å; R537-T606 PolarHBondContact NE-OG1 2.94Å; R537-T606 PolarHBondContact NH2-OG1 2.81Å; R537-T606 VanDerWaalsContact NH2-OG1 3.08Å
538	F	98.8	Very high	97.2	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-68.9	-29.6	174.7	-83.7	-117.4	0	0	0	113.3	L522 V526 E534 E535 I536 C541 P542 M544 M545 M548 I562	L522-F538 HydrophobicContact CD1-CE2 4.41Å; L522-F538 HydrophobicContact CD1-CZ 3.78Å; L522-F538 HydrophobicContact CD2-CZ 4.19Å; L522-F538 HydrophobicContact CG-CE1 4.24Å; L522-F538 HydrophobicContact CG-CZ 3.69Å; V526-F538 HydrophobicContact CB-CB 4.44Å; V526-F538 HydrophobicContact CG2-CB 3.93Å; E534-F538 HydrophobicContact CG-CD2 4.1Å; E534-F538 HydrophobicContact CG-CE2 4.08Å; E534-F538 VanDerWaalsContact O-CD2 3.27Å; E534-F538 WeakPolarHBondContact O-CD2 3.33Å; E534-F538 PolarHBondContact O-N 3.42Å; E535-F538 PolarHBondContact O-N 2.96Å; I536-F538 VanDerWaalsContact C-N 3.32Å; I536-F538 PolarHBondContact O-N 3.28Å; F538-C541 CarbonylContact O-C 3.58Å; F538-C541 VanDerWaalsContact O-C 3.24Å; F538-P542 WeakPolarHBondContact O-CA 3.32Å; F538-M544 HydrophobicContact CD1-CB 3.7Å; F538-M544 HydrophobicContact CD2-CB 4.21Å; F538-M544 HydrophobicContact CD2-CE 3.85Å; F538-M544 HydrophobicContact CD2-SD 4.41Å; F538-M544 VanDerWaalsContact CE1-C 3.46Å; F538-M544 HydrophobicContact CE1-CB 3.68Å; F538-M544 VanDerWaalsContact CE1-O 3.26Å; F538-M544 WeakPolarHBondContact CE1-O 3.37Å; F538-M544 HydrophobicContact CE2-CB 4.2Å; F538-M544 HydrophobicContact CE2-CE 3.47Å; F538-M544 VanDerWaalsContact CE2-CE 3.47Å; F538-M544 HydrophobicContact CG-CB 3.97Å; F538-M544 HydrophobicContact CZ-CB 3.92Å; F538-M544 HydrophobicContact CZ-CE 4.03Å; F538-M545 HydrophobicContact CB-CE 4.44Å; F538-M545 HydrophobicContact CD1-CG 4Å; F538-M548 HydrophobicContact CE1-CG 4.18Å; F538-I562 HydrophobicContact CZ-CD1 4.43Å
539	L	98.8	Very high	97.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-76	-37.1	173.8	-73.1	162.7	0	0	0	112.3	K451 F454 V526 E535 I536 C541 P542 M545 L578	K451-L539 HydrophobicContact CB-CD2 3.93Å; K451-L539 HydrophobicContact CD-CD1 4.27Å; K451-L539 HydrophobicContact CD-CD2 4.31Å; K451-L539 HydrophobicContact CG-CD1 3.8Å; K451-L539 HydrophobicContact CG-CD2 3.86Å; K451-L539 HydrophobicContact CG-CG 4.49Å; F454-L539 HydrophobicContact CB-CB 4.14Å; F454-L539 HydrophobicContact CB-CD2 4.08Å; F454-L539 HydrophobicContact CD1-CB 3.8Å; F454-L539 WeakPolarHBondContact CD1-O 3.33Å; F454-L539 HydrophobicContact CD2-CB 4.11Å; F454-L539 HydrophobicContact CD2-CD1 4.41Å; F454-L539 HydrophobicContact CD2-CD2 4.33Å; F454-L539 HydrophobicContact CE1-CB 4.22Å; F454-L539 HydrophobicContact CG-CB 3.76Å; F454-L539 HydrophobicContact CG-CD2 4.31Å; V526-L539 HydrophobicContact CG2-CD1 4.49Å; V526-L539 HydrophobicContact CG2-CD2 4.23Å; V526-L539 HydrophobicContact CG2-CG 3.9Å; E535-L539 WeakPolarHBondContact O-CB 3.12Å; E535-L539 WeakPolarHBondContact O-CD1 3.1Å; E535-L539 WeakPolarHBondContact O-CG 3.44Å; E535-L539 PolarHBondContact O-N 3.06Å; I536-L539 PolarHBondContact O-N 3.05Å; I536-L539 VanDerWaalsContact O-N 3.13Å; L539-C541 VanDerWaalsContact C-N 3.31Å; L539-P542 WeakPolarHBondContact O-CD 3.4Å; L539-P542 WeakPolarHBondContact O-CG 3.38Å; L539-M545 HydrophobicContact CD2-CE 4.41Å; L539-L578 HydrophobicContact CD1-CD2 4.05Å
540	M	98.6	Very high	97.7	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-66.9	-33.7	172.1	-69.6	177.2	75.9	0	0	112.1	F454 E507 I536 R537 V567 F568 Y571 H587	F454-M540 HydrophobicContact CE1-CG 4.32Å; E507-M540 HydrophobicContact CG-CE 3.93Å; E507-M540 HydrophobicContact CG-SD 3.92Å; I536-M540 HydrophobicContact CG2-CG 4.42Å; I536-M540 HydrophobicContact CG2-SD 4.01Å; I536-M540 WeakPolarHBondContact O-CG 3.16Å; I536-M540 PolarHBondContact O-N 3.45Å; R537-M540 PolarHBondContact O-N 3.21Å; M540-V567 HydrophobicContact CB-CG1 4.28Å; M540-V567 HydrophobicContact CE-CG1 3.97Å; M540-F568 PolarHBondContact O-N 3.46Å; M540-Y571 HydrophobicContact CE-CD1 4.24Å; M540-Y571 HydrophobicContact CE-CE1 4.47Å; M540-Y571 HydrophobicContact CG-CD1 4.28Å; M540-Y571 HydrophobicContact SD-CD1 3.49Å; M540-Y571 WeakPolarHBondContact SD-CD1 3.43Å; M540-Y571 HydrophobicContact SD-CE1 3.66Å; M540-H587 HydrophobicContact CE-CB 3.75Å
541	C	98.6	Very high	97.9	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.	S	Bend	trans	-127.3	68.9	-177.7	-47.1	0	0	0	0	111.8	R537 F538 L539 E543 M544 A565 Y566	R537-C541 WeakPolarHBondContact O-CB 3.4Å; R537-C541 PolarHBondContact O-N 3.38Å; F538-C541 CarbonylContact O-C 3.58Å; F538-C541 VanDerWaalsContact O-C 3.24Å; L539-C541 VanDerWaalsContact C-N 3.31Å; C541-E543 PolarHBondContact O-N 3.23Å; C541-M544 HydrophobicContact CB-CG 4.03Å; C541-M544 HydrophobicContact CB-SD 3.76Å; C541-M544 WeakPolarHBondContact O-CB 3.21Å; C541-M544 WeakPolarHBondContact O-CG 3.28Å; C541-M544 PolarHBondContact O-N 2.91Å; C541-A565 HydrophobicContact CB-CB 4.4Å; C541-Y566 WeakPolarHBondContact CA-O 3.31Å; C541-Y566 WeakPolarHBondContact CB-O 3.46Å
542	P	98.8	Very high	97.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-59	-16.8	-171	-29.4	40	0	0	0	116	V423 L455 Y458 F538 L539 M544 M545	V423-P542 WeakPolarHBondContact CG2-O 2.92Å; L455-P542 HydrophobicContact CD2-CB 4.33Å; L455-P542 HydrophobicContact CD2-CG 4.45Å; Y458-P542 HydrophobicContact CD1-CB 3.8Å; Y458-P542 HydrophobicContact CD1-CG 4.22Å; Y458-P542 HydrophobicContact CD2-CB 4.27Å; Y458-P542 HydrophobicContact CD2-CG 4.26Å; Y458-P542 HydrophobicContact CE1-CB 4.05Å; Y458-P542 HydrophobicContact CG-CB 3.9Å; Y458-P542 HydrophobicContact CG-CG 3.86Å; F538-P542 WeakPolarHBondContact O-CA 3.32Å; L539-P542 WeakPolarHBondContact O-CD 3.4Å; L539-P542 WeakPolarHBondContact O-CG 3.38Å; P542-M544 PolarHBondContact O-N 3.08Å; P542-M545 VanDerWaalsContact O-CB 3.26Å; P542-M545 WeakPolarHBondContact O-CB 3.35Å; P542-M545 WeakPolarHBondContact O-CG 3.41Å; P542-M545 PolarHBondContact O-N 3.44Å
543	E	98.7	Very high	97.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-55.6	-30.8	169.3	-55.3	-172.5	130.7	0	0	112.7	H416 C419 Y458 V471 F473 C541 M545 V546 Y566 F568	H416-E543 WeakPolarHBondContact CA-OE1 3.3Å; H416-E543 WeakPolarHBondContact CB-OE1 3.32Å; H416-E543 IonicContact CE1-OE2 3.3Å; H416-E543 IonicContact CG-OE1 3.07Å; H416-E543 VanDerWaalsContact ND1-CD 3.26Å; H416-E543 IonicContact ND1-OE1 3Å; H416-E543 PolarHBondContact ND1-OE1 3.04Å; H416-E543 IonicContact ND1-OE2 3.31Å; H416-E543 PolarHBondContact ND1-OE2 3.23Å; C419-E543 HydrophobicContact CB-CB 4.13Å; C419-E543 HydrophobicContact CB-CG 4.14Å; Y458-E543 HydrophobicContact CE2-CG 3.79Å; Y458-E543 WeakPolarHBondContact OH-CG 3.34Å; V471-E543 HydrophobicContact CG2-CB 4.41Å; V471-E543 WeakPolarHBondContact CG2-OE2 3.23Å; F473-E543 WeakPolarHBondContact CZ-O 3.14Å; C541-E543 PolarHBondContact O-N 3.23Å; E543-M545 PolarHBondContact O-N 2.92Å; E543-V546 VanDerWaalsContact O-CB 3.31Å; E543-V546 WeakPolarHBondContact O-CB 3.15Å; E543-V546 WeakPolarHBondContact O-CG2 3.42Å; E543-V546 PolarHBondContact O-N 2.93Å; E543-V546 VanDerWaalsContact O-N 3.09Å; E543-Y566 PolarHBondContact OE2-N 2.88Å; E543-F568 HydrophobicContact CG-CE2 3.91Å; E543-F568 HydrophobicContact CG-CZ 4.43Å
544	M	98.8	Very high	97.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-60.6	-27.1	176	-65.9	178.3	68.4	0	0	112.5	R537 F538 C541 P542 V546 G547 I562 A565 T606	R537-M544 HydrophobicContact CG-CE 3.98Å; R537-M544 HydrophobicContact CG-SD 3.84Å; F538-M544 HydrophobicContact CD1-CB 3.7Å; F538-M544 HydrophobicContact CD2-CB 4.21Å; F538-M544 HydrophobicContact CD2-CE 3.85Å; F538-M544 HydrophobicContact CD2-SD 4.41Å; F538-M544 VanDerWaalsContact CE1-C 3.46Å; F538-M544 HydrophobicContact CE1-CB 3.68Å; F538-M544 VanDerWaalsContact CE1-O 3.26Å; F538-M544 WeakPolarHBondContact CE1-O 3.37Å; F538-M544 HydrophobicContact CE2-CB 4.2Å; F538-M544 HydrophobicContact CE2-CE 3.47Å; F538-M544 VanDerWaalsContact CE2-CE 3.47Å; F538-M544 HydrophobicContact CG-CB 3.97Å; F538-M544 HydrophobicContact CZ-CB 3.92Å; F538-M544 HydrophobicContact CZ-CE 4.03Å; C541-M544 HydrophobicContact CB-CG 4.03Å; C541-M544 HydrophobicContact CB-SD 3.76Å; C541-M544 WeakPolarHBondContact O-CB 3.21Å; C541-M544 WeakPolarHBondContact O-CG 3.28Å; C541-M544 PolarHBondContact O-N 2.91Å; P542-M544 PolarHBondContact O-N 3.08Å; M544-V546 PolarHBondContact O-N 2.61Å; M544-V546 VanDerWaalsContact O-N 3.13Å; M544-G547 WeakPolarHBondContact O-CA 3.49Å; M544-G547 PolarHBondContact O-N 3.26Å; M544-I562 HydrophobicContact CB-CD1 4.17Å; M544-I562 HydrophobicContact CE-CD1 3.95Å; M544-I562 HydrophobicContact CG-CD1 4.2Å; M544-I562 HydrophobicContact CG-CG2 4.3Å; M544-A565 HydrophobicContact CG-CB 3.86Å; M544-T606 HydrophobicContact CE-CG2 3.59Å
545	M	98.8	Very high	97.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.8	-20.5	176.1	-60.6	-179.3	-178.7	0	0	113.1	V423 M426 F437 L455 V526 F538 L539 P542 E543 G547 M548	V423-M545 HydrophobicContact CG1-SD 4.26Å; V423-M545 HydrophobicContact CG2-CB 4.31Å; M426-M545 HydrophobicContact CE-CB 4.3Å; M426-M545 HydrophobicContact SD-CB 4.25Å; F437-M545 HydrophobicContact CE1-CE 4.45Å; F437-M545 HydrophobicContact CE1-SD 3.84Å; F437-M545 HydrophobicContact CZ-SD 3.63Å; L455-M545 HydrophobicContact CD2-CE 4.06Å; L455-M545 HydrophobicContact CD2-SD 4.21Å; V526-M545 HydrophobicContact CG1-CE 4.2Å; V526-M545 HydrophobicContact CG2-CE 3.62Å; F538-M545 HydrophobicContact CB-CE 4.44Å; F538-M545 HydrophobicContact CD1-CG 4Å; L539-M545 HydrophobicContact CD2-CE 4.41Å; P542-M545 VanDerWaalsContact O-CB 3.26Å; P542-M545 WeakPolarHBondContact O-CB 3.35Å; P542-M545 WeakPolarHBondContact O-CG 3.41Å; P542-M545 PolarHBondContact O-N 3.44Å; E543-M545 PolarHBondContact O-N 2.92Å; M545-G547 PolarHBondContact O-N 3.37Å; M545-M548 HydrophobicContact CB-SD 4.04Å; M545-M548 HydrophobicContact CG-SD 4.18Å; M545-M548 VanDerWaalsContact O-CB 3.26Å; M545-M548 WeakPolarHBondContact O-CB 3.36Å; M545-M548 VanDerWaalsContact O-CG 3.32Å; M545-M548 WeakPolarHBondContact O-CG 3.29Å; M545-M548 PolarHBondContact O-N 3.32Å; M545-M548 VanDerWaalsContact O-N 3.1Å
546	V	98.8	Very high	97.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.7	-30.9	171.2	177.4	0	0	0	0	111.2	L414 C419 L422 V423 F473 E543 M544 M548 L549 L550	L414-V546 HydrophobicContact CD1-CG1 4.49Å; C419-V546 HydrophobicContact CB-CG2 3.88Å; L422-V546 HydrophobicContact CB-CG2 4.11Å; L422-V546 HydrophobicContact CD1-CG1 3.73Å; L422-V546 HydrophobicContact CD1-CG2 4.29Å; V423-V546 HydrophobicContact CG2-CG2 3.84Å; F473-V546 HydrophobicContact CD2-CG1 4.48Å; F473-V546 HydrophobicContact CE1-CB 4.17Å; F473-V546 HydrophobicContact CE2-CB 4.09Å; F473-V546 HydrophobicContact CE2-CG1 3.91Å; F473-V546 HydrophobicContact CZ-CB 3.67Å; F473-V546 HydrophobicContact CZ-CG1 4.02Å; E543-V546 VanDerWaalsContact O-CB 3.31Å; E543-V546 WeakPolarHBondContact O-CB 3.15Å; E543-V546 WeakPolarHBondContact O-CG2 3.42Å; E543-V546 PolarHBondContact O-N 2.93Å; E543-V546 VanDerWaalsContact O-N 3.09Å; M544-V546 PolarHBondContact O-N 2.61Å; M544-V546 VanDerWaalsContact O-N 3.13Å; V546-M548 PolarHBondContact O-N 3.05Å; V546-L549 WeakPolarHBondContact O-CB 3.36Å; V546-L549 PolarHBondContact O-N 2.95Å; V546-L550 HydrophobicContact CG1-CD1 3.75Å; V546-L550 HydrophobicContact CG1-CG 4.17Å; V546-L550 VanDerWaalsContact O-CG 3.28Å; V546-L550 WeakPolarHBondContact O-CG 3.5Å; V546-L550 PolarHBondContact O-N 3.4Å
547	G	98.4	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.9	-35.8	172.5	0	0	0	0	0	112.8	M544 M545 L549 L550 C551	M544-G547 WeakPolarHBondContact O-CA 3.49Å; M544-G547 PolarHBondContact O-N 3.26Å; M545-G547 PolarHBondContact O-N 3.37Å; G547-L549 PolarHBondContact O-N 3.36Å; G547-L550 PolarHBondContact O-N 3.04Å; G547-C551 WeakPolarHBondContact O-CB 3.21Å; G547-C551 PolarHBondContact O-N 3.42Å; G547-C551 PolarHBondContact O-SG 3.43Å
548	M	98	Very high	97.2	Very high	21 Å²	21	25.6 Å²	25.6	10%	0.103	12%	0.118	C	C	.	.	H	α-helix	trans	-62.2	-42.9	177.8	-46.5	177	72.7	0	0	111.4	F435 L522 V526 L527 F538 M545 V546 L550	F435-M548 HydrophobicContact CD1-CB 4.07Å; F435-M548 HydrophobicContact CE1-CB 4.06Å; F435-M548 WeakPolarHBondContact CE1-O 3.44Å; F435-M548 WeakPolarHBondContact CZ-O 3.39Å; L522-M548 WeakPolarHBondContact O-CG 3.18Å; V526-M548 HydrophobicContact CG1-CE 3.94Å; V526-M548 HydrophobicContact CG1-SD 3.83Å; L527-M548 HydrophobicContact CD1-CE 3.87Å; L527-M548 HydrophobicContact CD1-SD 4.43Å; L527-M548 HydrophobicContact CG-CE 4.07Å; F538-M548 HydrophobicContact CE1-CG 4.18Å; M545-M548 HydrophobicContact CB-SD 4.04Å; M545-M548 HydrophobicContact CG-SD 4.18Å; M545-M548 VanDerWaalsContact O-CB 3.26Å; M545-M548 WeakPolarHBondContact O-CB 3.36Å; M545-M548 VanDerWaalsContact O-CG 3.32Å; M545-M548 WeakPolarHBondContact O-CG 3.29Å; M545-M548 PolarHBondContact O-N 3.32Å; M545-M548 VanDerWaalsContact O-N 3.1Å; V546-M548 PolarHBondContact O-N 3.05Å; M548-L550 VanDerWaalsContact C-N 3.3Å; M548-L550 PolarHBondContact O-N 3.03Å
549	L	97.3	Very high	97.2	Very high	15 Å²	15	25.6 Å²	25.6	8%	0.079	12%	0.118	C	C	.	.	H	α-helix	trans	-65	-36.5	177.4	-57	175.4	0	0	0	111.8	L304 R404 L422 M426 F435 V546 G547	L304-L549 HydrophobicContact CD1-CB 4.05Å; L304-L549 WeakPolarHBondContact CD1-O 3.45Å; L304-L549 HydrophobicContact CD2-CB 4.37Å; R404-L549 PolarHBondContact NE-O 3.24Å; L422-L549 HydrophobicContact CB-CD1 3.96Å; L422-L549 HydrophobicContact CD2-CD1 4.43Å; M426-L549 HydrophobicContact CG-CD2 4.39Å; M426-L549 HydrophobicContact SD-CD1 4.48Å; M426-L549 HydrophobicContact SD-CD2 4.45Å; F435-L549 HydrophobicContact CB-CD2 3.6Å; F435-L549 HydrophobicContact CD1-CD2 4.11Å; F435-L549 HydrophobicContact CD2-CD2 3.81Å; F435-L549 HydrophobicContact CG-CD2 3.57Å; V546-L549 WeakPolarHBondContact O-CB 3.36Å; V546-L549 PolarHBondContact O-N 2.95Å; G547-L549 PolarHBondContact O-N 3.36Å
550	L	97.6	Very high	97.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-88.4	-28.3	-169.8	-67.1	176.3	0	0	0	114	I402 R404 L405 A412 L414 F473 V546 G547 M548	I402-L550 HydrophobicContact CG2-CD2 3.54Å; R404-L550 CarbonylContact C-O 3.58Å; R404-L550 WeakPolarHBondContact CA-O 3.17Å; R404-L550 VanDerWaalsContact CB-O 3.24Å; R404-L550 WeakPolarHBondContact CB-O 3.35Å; L405-L550 HydrophobicContact CD1-CB 3.64Å; L405-L550 HydrophobicContact CD1-CD1 4.25Å; L405-L550 HydrophobicContact CD1-CG 4.42Å; L405-L550 PolarHBondContact N-O 2.8Å; A412-L550 HydrophobicContact CB-CD1 3.86Å; L414-L550 HydrophobicContact CD1-CD1 4.27Å; F473-L550 HydrophobicContact CB-CD1 4.2Å; F473-L550 HydrophobicContact CD2-CD1 3.91Å; F473-L550 HydrophobicContact CG-CD1 4.03Å; V546-L550 HydrophobicContact CG1-CD1 3.75Å; V546-L550 HydrophobicContact CG1-CG 4.17Å; V546-L550 VanDerWaalsContact O-CG 3.28Å; V546-L550 WeakPolarHBondContact O-CG 3.5Å; V546-L550 PolarHBondContact O-N 3.4Å; G547-L550 PolarHBondContact O-N 3.04Å; M548-L550 VanDerWaalsContact C-N 3.3Å; M548-L550 PolarHBondContact O-N 3.03Å
551	C	96.3	Very high	97.2	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.041	12%	0.119	C	C	.	.			trans	-98.3	179.5	-172.8	-58.9	0	0	0	0	113	R404 G547 I560	R404-C551 PolarHBondContact NH2-O 2.88Å; G547-C551 WeakPolarHBondContact O-CB 3.21Å; G547-C551 PolarHBondContact O-N 3.42Å; G547-C551 PolarHBondContact O-SG 3.43Å; C551-I560 HydrophobicContact CB-CD1 3.77Å
552	E	93.3	Very high	97.2	Very high	84 Å²	84	25.8 Å²	25.8	39%	0.393	12%	0.119	S	C	.	.			trans	-126.1	173.6	165.5	-72.7	-176	168.3	0	0	108.7	R404 V406 M554	R404-E552 IonicContact CZ-OE1 2.76Å; R404-E552 IonicContact NH1-OE1 2.67Å; R404-E552 PolarHBondContact NH1-OE1 3.01Å; R404-E552 IonicContact NH2-OE1 2.6Å; R404-E552 PolarHBondContact NH2-OE1 3.13Å; V406-E552 VanDerWaalsContact CG1-CD 3.4Å; V406-E552 HydrophobicContact CG1-CG 3.8Å; E552-M554 PolarHBondContact O-N 3.07Å
553	K	95.3	Very high	97.2	Very high	104 Å²	104	25.8 Å²	25.8	45%	0.452	12%	0.119	S	C	.	.			trans	-45.3	121.4	171	175.1	174.9	163.4	140.1	0	110.8	E520 K555	E520-K553 HydrophobicContact CB-CG 4.25Å; E520-K553 HydrophobicContact CG-CG 4.49Å; E520-K553 CarbonylContact O-C 3.6Å; E520-K553 WeakPolarHBondContact O-CA 3.38Å; E520-K553 WeakPolarHBondContact OE1-CD 3.42Å; E520-K553 WeakPolarHBondContact OE1-CE 3.44Å; E520-K553 IonicContact OE1-NZ 3.49Å; E520-K553 PolarHBondContact OE1-NZ 2.89Å; E520-K553 WeakPolarHBondContact OE2-CE 3.48Å; E520-K553 IonicContact OE2-NZ 2.81Å; E520-K553 PolarHBondContact OE2-NZ 2.97Å; K553-K555 PolarHBondContact O-N 3.44Å
554	M	96.8	Very high	97.1	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.02	12%	0.12	C	C	.	.			trans	-63.3	128.6	178.9	-69.9	-169.2	-78.8	0	0	110.6	A518 N519 E520 E552 I560 A608 D610	A518-M554 HydrophobicContact CB-CE 4.06Å; N519-M554 WeakPolarHBondContact O-CE 3.3Å; E520-M554 PolarHBondContact O-N 3.41Å; E552-M554 PolarHBondContact O-N 3.07Å; M554-I560 HydrophobicContact CG-CD1 3.58Å; M554-I560 HydrophobicContact CG-CG1 4.02Å; M554-I560 HydrophobicContact SD-CB 4.29Å; M554-I560 HydrophobicContact SD-CD1 3.72Å; M554-I560 HydrophobicContact SD-CG1 3.78Å; M554-A608 HydrophobicContact CE-CB 4.29Å; M554-D610 WeakPolarHBondContact CB-OD1 3.49Å; M554-D610 HydrophobicContact CE-CB 4.2Å; M554-D610 WeakPolarHBondContact CE-OD1 3.39Å
555	K	95.7	Very high	97.1	Very high	121 Å²	121	26 Å²	26	53%	0.526	12%	0.121	S	C	.	.			trans	-77.8	169.8	169.8	-60.7	173.2	-151.8	75	0	110.7	K553 L557 E558 K637	K553-K555 PolarHBondContact O-N 3.44Å; K555-L557 PolarHBondContact O-N 3.44Å; K555-E558 HydrophobicContact CB-CG 4.07Å; K555-E558 VanDerWaalsContact CB-OE2 3.26Å; K555-E558 WeakPolarHBondContact CB-OE2 3.37Å; K555-E558 WeakPolarHBondContact CG-OE2 3.36Å; K555-E558 PolarHBondContact N-OE2 3.41Å; K555-E558 IonicContact NZ-OE1 3.3Å; K555-E558 PolarHBondContact NZ-OE1 3.42Å; K555-E558 IonicContact NZ-OE2 3.05Å; K555-E558 PolarHBondContact NZ-OE2 2.98Å; K555-E558 PolarHBondContact O-N 3.32Å; K555-E558 VanDerWaalsContact O-N 3.09Å; K555-K637 PolarHBondContact O-NZ 3.16Å
556	Q	94.6	Very high	97	Very high	129 Å²	129	27.6 Å²	27.6	60%	0.603	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.1	-178.9	-65.2	178.8	-5.9	0	0	114.3	R633 K637	Q556-R633 HydrophobicContact CG-CG 4.45Å; Q556-K637 WeakPolarHBondContact O-CE 3.26Å
557	L	94.3	Very high	97	Very high	37 Å²	37	27.6 Å²	27.6	19%	0.194	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	27.8	-179.1	-53.4	177.8	0	0	0	113	M478 K480 K555 K636 I640	M478-L557 PolarHBondContact N-O 3.03Å; M478-L557 VanDerWaalsContact N-O 3.11Å; M478-L557 WeakPolarHBondContact O-CB 3.25Å; K480-L557 HydrophobicContact CG-CD1 3.65Å; K555-L557 PolarHBondContact O-N 3.44Å; L557-K636 HydrophobicContact CD2-CB 4.03Å; L557-K636 HydrophobicContact CD2-CD 4.14Å; L557-I640 HydrophobicContact CB-CD1 3.8Å; L557-I640 HydrophobicContact CD2-CD1 3.71Å; L557-I640 HydrophobicContact CG-CD1 4.35Å
558	E	96	Very high	97	Very high	16 Å²	16	28 Å²	28	8%	0.075	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.6	175.3	-64	178.5	145.3	0	0	110.2	L475 T476 K477 K555 K637	L475-E558 HydrophobicContact CD1-CB 4Å; T476-E558 CarbonylContact O-C 3.53Å; T476-E558 VanDerWaalsContact O-CA 3.28Å; T476-E558 WeakPolarHBondContact O-CA 3.35Å; K477-E558 HydrophobicContact CD-CG 4.43Å; K477-E558 WeakPolarHBondContact CE-OE1 3.17Å; K477-E558 HydrophobicContact CG-CG 4.1Å; K477-E558 IonicContact NZ-OE1 2.82Å; K477-E558 PolarHBondContact NZ-OE1 2.92Å; K555-E558 HydrophobicContact CB-CG 4.07Å; K555-E558 VanDerWaalsContact CB-OE2 3.26Å; K555-E558 WeakPolarHBondContact CB-OE2 3.37Å; K555-E558 WeakPolarHBondContact CG-OE2 3.36Å; K555-E558 PolarHBondContact N-OE2 3.41Å; K555-E558 IonicContact NZ-OE1 3.3Å; K555-E558 PolarHBondContact NZ-OE1 3.42Å; K555-E558 IonicContact NZ-OE2 3.05Å; K555-E558 PolarHBondContact NZ-OE2 2.98Å; K555-E558 PolarHBondContact O-N 3.32Å; K555-E558 VanDerWaalsContact O-N 3.09Å; E558-K637 PolarHBondContact O-NZ 3.24Å
559	A	97.6	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	145.8	174.2	0	0	0	0	0	110	T476 I607 I609 I640	T476-A559 WeakPolarHBondContact CB-O 2.99Å; T476-A559 PolarHBondContact N-O 2.79Å; T476-A559 PolarHBondContact O-N 3.39Å; A559-I607 HydrophobicContact CB-CD1 4.25Å; A559-I609 HydrophobicContact CB-CG2 3.83Å; A559-I640 HydrophobicContact CB-CG2 4.21Å
560	I	98.6	Very high	97.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116.8	-174.5	-61.6	161.3	0	0	0	110.8	L475 L522 C551 M554 I562 A608	L475-I560 HydrophobicContact CD1-CD1 4.48Å; L475-I560 HydrophobicContact CD1-CG1 3.69Å; L522-I560 HydrophobicContact CB-CD1 4.03Å; L522-I560 HydrophobicContact CD1-CD1 4.37Å; L522-I560 HydrophobicContact CD2-CD1 4.04Å; L522-I560 HydrophobicContact CD2-CG2 4.05Å; L522-I560 HydrophobicContact CG-CD1 4.38Å; C551-I560 HydrophobicContact CB-CD1 3.77Å; M554-I560 HydrophobicContact CG-CD1 3.58Å; M554-I560 HydrophobicContact CG-CG1 4.02Å; M554-I560 HydrophobicContact SD-CB 4.29Å; M554-I560 HydrophobicContact SD-CD1 3.72Å; M554-I560 HydrophobicContact SD-CG1 3.78Å; I560-I562 HydrophobicContact CG2-CG1 4.2Å; I560-A608 HydrophobicContact CB-CB 4.24Å; I560-A608 PolarHBondContact N-O 3.11Å; I560-A608 PolarHBondContact O-N 3.22Å
561	S	98.5	Very high	97.1	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125.1	177.6	177.7	0	0	0	0	109.4	R474 E605	R474-S561 PolarHBondContact N-O 3.27Å; R474-S561 PolarHBondContact O-N 3.14Å; S561-E605 VanDerWaalsContact CB-OE1 3.31Å; S561-E605 WeakPolarHBondContact CB-OE1 3.35Å; S561-E605 PolarHBondContact OG-OE1 3.3Å
562	I	98.8	Very high	97.2	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.015	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.7	175	-51.3	-179.1	0	0	0	108.3	V471 S472 F473 L522 F538 M544 I560 A565 E605 T606	V471-I562 HydrophobicContact CG1-CG2 3.86Å; S472-I562 CarbonylContact O-C 3.58Å; S472-I562 WeakPolarHBondContact O-CA 3.31Å; F473-I562 HydrophobicContact CD1-CD1 4.06Å; F473-I562 HydrophobicContact CD1-CG1 3.95Å; F473-I562 HydrophobicContact CD1-CG2 3.95Å; F473-I562 HydrophobicContact CE1-CD1 4.14Å; F473-I562 HydrophobicContact CE1-CG1 4.37Å; F473-I562 HydrophobicContact CE1-CG2 3.77Å; F473-I562 HydrophobicContact CZ-CG2 4.45Å; L522-I562 HydrophobicContact CD2-CD1 4.34Å; F538-I562 HydrophobicContact CZ-CD1 4.43Å; M544-I562 HydrophobicContact CB-CD1 4.17Å; M544-I562 HydrophobicContact CE-CD1 3.95Å; M544-I562 HydrophobicContact CG-CD1 4.2Å; M544-I562 HydrophobicContact CG-CG2 4.3Å; I560-I562 HydrophobicContact CG2-CG1 4.2Å; I562-A565 HydrophobicContact CG2-CB 4.29Å; I562-E605 CarbonylContact O-C 3.55Å; I562-E605 WeakPolarHBondContact O-CA 3.28Å; I562-T606 PolarHBondContact N-O 3.01Å; I562-T606 PolarHBondContact O-N 3.12Å
563	V	98.7	Very high	97.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.6	-175.9	171.7	0	0	0	0	110.1	L264 V471 S472 R601 V604 E605	L264-V563 HydrophobicContact CB-CG1 3.86Å; L264-V563 HydrophobicContact CB-CG2 4.08Å; L264-V563 HydrophobicContact CD1-CG1 3.63Å; L264-V563 HydrophobicContact CD1-CG2 4.22Å; L264-V563 HydrophobicContact CG-CG1 4.4Å; V471-V563 CarbonylContact C-O 3.24Å; V471-V563 WeakPolarHBondContact CA-O 3.46Å; S472-V563 PolarHBondContact N-O 3.22Å; S472-V563 PolarHBondContact O-N 2.98Å; V563-R601 HydrophobicContact CG1-CB 4.16Å; V563-V604 WeakPolarHBondContact CA-O 3.42Å; V563-E605 HydrophobicContact CG2-CB 4.06Å; V563-E605 HydrophobicContact CG2-CG 4.39Å
564	G	97.8	Very high	97.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	15%	0.147	C	C	.	.	S	Bend	trans	94	1.4	170.3	0	0	0	0	0	117.3	H416 L602 V604	H416-G564 PolarHBondContact CE1-O 2.84Å; G564-L602 WeakPolarHBondContact CA-O 3.49Å; G564-L602 PolarHBondContact N-O 3.11Å; G564-V604 PolarHBondContact N-O 3.19Å
565	A	97.8	Very high	97.1	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.033	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-59	135.3	177.8	0	0	0	0	0	111.6	V471 C541 M544 I562 Q590	V471-A565 HydrophobicContact CG1-CB 4.16Å; C541-A565 HydrophobicContact CB-CB 4.4Å; M544-A565 HydrophobicContact CG-CB 3.86Å; I562-A565 HydrophobicContact CG2-CB 4.29Å; A565-Q590 PolarHBondContact O-NE2 2.8Å
566	Y	97.9	Very high	96.9	Very high	34 Å²	34	29.8 Å²	29.8	13%	0.133	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-92.7	146.9	-174.2	-164.8	-84.4	0	0	0	111.7	P467 C541 E543 F568 N591 L602	P467-Y566 HydrophobicContact CB-CD2 3.79Å; P467-Y566 HydrophobicContact CB-CE2 3.78Å; P467-Y566 HydrophobicContact CB-CG 4.26Å; P467-Y566 HydrophobicContact CG-CD1 4.14Å; P467-Y566 HydrophobicContact CG-CD2 3.97Å; P467-Y566 HydrophobicContact CG-CE1 4.43Å; P467-Y566 HydrophobicContact CG-CE2 4.27Å; P467-Y566 HydrophobicContact CG-CG 3.9Å; C541-Y566 WeakPolarHBondContact CA-O 3.31Å; C541-Y566 WeakPolarHBondContact CB-O 3.46Å; E543-Y566 PolarHBondContact OE2-N 2.88Å; Y566-F568 HydrophobicContact CD1-CD1 4.15Å; Y566-F568 HydrophobicContact CD1-CD2 4.24Å; Y566-F568 AromaticContact CD1-CE1 3.83Å; Y566-F568 HydrophobicContact CD1-CE1 3.83Å; Y566-F568 AromaticContact CD1-CE2 3.91Å; Y566-F568 HydrophobicContact CD1-CE2 3.91Å; Y566-F568 HydrophobicContact CD1-CG 4.35Å; Y566-F568 AromaticContact CD1-CZ 3.69Å; Y566-F568 HydrophobicContact CD1-CZ 3.69Å; Y566-F568 HydrophobicContact CE1-CE1 4.42Å; Y566-F568 HydrophobicContact CG-CE2 4.26Å; Y566-F568 HydrophobicContact CG-CZ 4.1Å; Y566-F568 WeakPolarHBondContact O-CD2 3.36Å; Y566-F568 WeakPolarHBondContact O-CE2 3.26Å; Y566-N591 HydrophobicContact CD2-CB 4.3Å; Y566-N591 HydrophobicContact CE1-CB 4.25Å; Y566-N591 VanDerWaalsContact CE1-ND2 3.34Å; Y566-N591 WeakPolarHBondContact CE1-ND2 3.37Å; Y566-N591 HydrophobicContact CE2-CB 3.67Å; Y566-L602 HydrophobicContact CD2-CD1 3.93Å
567	V	98.3	Very high	96.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-92.4	124.6	179.2	-168.1	0	0	0	0	110.2	M540 L583 H587 Q590 N591	M540-V567 HydrophobicContact CB-CG1 4.28Å; M540-V567 HydrophobicContact CE-CG1 3.97Å; V567-L583 HydrophobicContact CB-CD1 4.33Å; V567-L583 HydrophobicContact CG1-CD1 3.74Å; V567-L583 WeakPolarHBondContact O-CD2 3.4Å; V567-H587 HydrophobicContact CG1-CB 4.46Å; V567-Q590 VanDerWaalsContact CG2-CD 3.41Å; V567-Q590 HydrophobicContact CG2-CG 3.57Å; V567-N591 PolarHBondContact N-OD1 3.39Å; V567-N591 PolarHBondContact O-ND2 3.16Å
568	F	98.4	Very high	97.1	Very high	9 Å²	9	25.6 Å²	25.6	4%	0.039	14%	0.138	C	C	.	.			trans	-112.7	-11.3	-173.2	-66.8	-89.1	0	0	0	114.6	Y458 K461 M462 P467 M540 E543 Y566	Y458-F568 HydrophobicContact CD2-CB 4.38Å; Y458-F568 AromaticContact CD2-CD1 3.7Å; Y458-F568 HydrophobicContact CD2-CD1 3.7Å; Y458-F568 AromaticContact CD2-CD2 3.55Å; Y458-F568 HydrophobicContact CD2-CD2 3.55Å; Y458-F568 AromaticContact CD2-CE1 3.74Å; Y458-F568 HydrophobicContact CD2-CE1 3.74Å; Y458-F568 AromaticContact CD2-CE2 3.59Å; Y458-F568 HydrophobicContact CD2-CE2 3.59Å; Y458-F568 AromaticContact CD2-CG 3.6Å; Y458-F568 HydrophobicContact CD2-CG 3.6Å; Y458-F568 AromaticContact CD2-CZ 3.69Å; Y458-F568 HydrophobicContact CD2-CZ 3.69Å; Y458-F568 HydrophobicContact CE2-CD1 4.39Å; Y458-F568 AromaticContact CE2-CD2 3.97Å; Y458-F568 HydrophobicContact CE2-CD2 3.97Å; Y458-F568 AromaticContact CE2-CE1 3.98Å; Y458-F568 HydrophobicContact CE2-CE1 3.98Å; Y458-F568 AromaticContact CE2-CE2 3.52Å; Y458-F568 HydrophobicContact CE2-CE2 3.52Å; Y458-F568 HydrophobicContact CE2-CG 4.38Å; Y458-F568 AromaticContact CE2-CZ 3.53Å; Y458-F568 HydrophobicContact CE2-CZ 3.53Å; K461-F568 HydrophobicContact CB-CD1 3.94Å; K461-F568 HydrophobicContact CB-CE1 4.29Å; K461-F568 HydrophobicContact CG-CD1 3.8Å; K461-F568 HydrophobicContact CG-CE1 3.88Å; M462-F568 HydrophobicContact CG-CE1 4.21Å; M462-F568 HydrophobicContact CG-CZ 4.5Å; M462-F568 HydrophobicContact SD-CE1 3.7Å; M462-F568 HydrophobicContact SD-CZ 3.76Å; P467-F568 HydrophobicContact CG-CE1 4.28Å; P467-F568 HydrophobicContact CG-CZ 4.09Å; M540-F568 PolarHBondContact O-N 3.46Å; E543-F568 HydrophobicContact CG-CE2 3.91Å; E543-F568 HydrophobicContact CG-CZ 4.43Å; Y566-F568 HydrophobicContact CD1-CD1 4.15Å; Y566-F568 HydrophobicContact CD1-CD2 4.24Å; Y566-F568 AromaticContact CD1-CE1 3.83Å; Y566-F568 HydrophobicContact CD1-CE1 3.83Å; Y566-F568 AromaticContact CD1-CE2 3.91Å; Y566-F568 HydrophobicContact CD1-CE2 3.91Å; Y566-F568 HydrophobicContact CD1-CG 4.35Å; Y566-F568 AromaticContact CD1-CZ 3.69Å; Y566-F568 HydrophobicContact CD1-CZ 3.69Å; Y566-F568 HydrophobicContact CE1-CE1 4.42Å; Y566-F568 HydrophobicContact CG-CE2 4.26Å; Y566-F568 HydrophobicContact CG-CZ 4.1Å; Y566-F568 WeakPolarHBondContact O-CD2 3.36Å; Y566-F568 WeakPolarHBondContact O-CE2 3.26Å
569	S	98.4	Very high	97.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.			trans	-156.8	158	-178.9	-69.2	0	0	0	0	111.3	T457 W580	T457-S569 WeakPolarHBondContact CG2-OG 3.41Å; S569-W580 PolarHBondContact OG-NE1 2.91Å
570	S	98.4	Very high	97.2	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	178.7	164.1	-58.2	0	0	0	0	110.4	F454 A581 E582 L583 Q584 H587	F454-S570 VanDerWaalsContact CE1-O 3.26Å; F454-S570 WeakPolarHBondContact CE1-O 3.37Å; S570-A581 CarbonylContact C-O 3.59Å; S570-A581 WeakPolarHBondContact CA-O 3.38Å; S570-A581 PolarHBondContact N-O 3.25Å; S570-A581 PolarHBondContact O-N 2.83Å; S570-A581 VanDerWaalsContact O-O 3.05Å; S570-E582 WeakPolarHBondContact CB-O 3.44Å; S570-E582 PolarHBondContact OG-O 3.26Å; S570-L583 WeakPolarHBondContact OG-CA 3.26Å; S570-Q584 WeakPolarHBondContact OG-CB 3.49Å; S570-Q584 WeakPolarHBondContact OG-CG 3.29Å; S570-Q584 PolarHBondContact OG-N 2.62Å; S570-H587 VanDerWaalsContact CB-ND1 3.31Å; S570-H587 WeakPolarHBondContact CB-ND1 3.34Å; S570-H587 PolarHBondContact OG-ND1 2.84Å
571	Y	98	Very high	97.2	Very high	30 Å²	30	33.6 Å²	33.6	12%	0.118	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	170	168.3	75.3	-79.7	0	0	0	111.4	L505 E507 I536 M540 G573 L578 K579	L505-Y571 HydrophobicContact CD1-CE1 4.49Å; E507-Y571 WeakPolarHBondContact OE1-CE1 3.34Å; E507-Y571 PolarHBondContact OE1-OH 2.88Å; E507-Y571 VanDerWaalsContact OE1-OH 3.09Å; I536-Y571 HydrophobicContact CD1-CD2 4.34Å; I536-Y571 HydrophobicContact CD1-CE2 3.98Å; I536-Y571 HydrophobicContact CG2-CD1 3.64Å; I536-Y571 HydrophobicContact CG2-CD2 4.09Å; I536-Y571 HydrophobicContact CG2-CE1 3.5Å; I536-Y571 HydrophobicContact CG2-CE2 3.96Å; I536-Y571 HydrophobicContact CG2-CG 3.92Å; M540-Y571 HydrophobicContact CE-CD1 4.24Å; M540-Y571 HydrophobicContact CE-CE1 4.47Å; M540-Y571 HydrophobicContact CG-CD1 4.28Å; M540-Y571 HydrophobicContact SD-CD1 3.49Å; M540-Y571 WeakPolarHBondContact SD-CD1 3.43Å; M540-Y571 HydrophobicContact SD-CE1 3.66Å; Y571-G573 VanDerWaalsContact CD2-O 3.27Å; Y571-G573 WeakPolarHBondContact CD2-O 3.37Å; Y571-G573 WeakPolarHBondContact CE2-O 3.33Å; Y571-L578 HydrophobicContact CD2-CD1 3.48Å; Y571-L578 VanDerWaalsContact CD2-CD1 3.48Å; Y571-L578 HydrophobicContact CE2-CD1 4.42Å; Y571-L578 HydrophobicContact CG-CD1 3.9Å; Y571-K579 CarbonylContact C-O 3.08Å; Y571-K579 VanDerWaalsContact CA-O 3.25Å; Y571-K579 WeakPolarHBondContact CA-O 3.4Å; Y571-K579 WeakPolarHBondContact CB-O 3.37Å
572	T	97.1	Very high	97.1	Very high	84 Å²	84	40.5 Å²	40.5	52%	0.515	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.7	160.6	57.7	0	0	0	0	109.4	L578 K579	T572-L578 CarbonylContact O-C 3.53Å; T572-L578 WeakPolarHBondContact O-CA 3.27Å; T572-K579 PolarHBondContact N-O 3.42Å; T572-K579 PolarHBondContact O-N 3.35Å
573	G	95.7	Very high	97	Very high	38 Å²	38	43.1 Å²	43.1	39%	0.392	22%	0.221	S	C	.	.	S	Bend	trans	71.7	-176.6	-175.1	0	0	0	0	0	113.6	Y571	Y571-G573 VanDerWaalsContact CD2-O 3.27Å; Y571-G573 WeakPolarHBondContact CD2-O 3.37Å; Y571-G573 WeakPolarHBondContact CE2-O 3.33Å
574	Y	94.4	Very high	96.8	Very high	103 Å²	103	47.4 Å²	47.4	40%	0.404	24%	0.24	S	C	.	.			trans	-156.3	148.8	-176.8	-168	-101.2	0	0	0	110.3	V532 Q533 I536 H576 T577	V532-Y574 HydrophobicContact CB-CE1 4.02Å; V532-Y574 HydrophobicContact CB-CE2 4.38Å; V532-Y574 WeakPolarHBondContact CB-OH 2.9Å; V532-Y574 HydrophobicContact CG1-CD1 4.46Å; V532-Y574 HydrophobicContact CG1-CE1 3.73Å; Q533-Y574 HydrophobicContact CB-CE2 4.4Å; Q533-Y574 PolarHBondContact N-OH 3.33Å; I536-Y574 HydrophobicContact CD1-CD2 3.46Å; I536-Y574 VanDerWaalsContact CD1-CD2 3.46Å; I536-Y574 HydrophobicContact CD1-CE2 3.86Å; I536-Y574 HydrophobicContact CD1-CG 4.36Å; Y574-H576 PolarHBondContact O-N 3.13Å; Y574-T577 PolarHBondContact N-OG1 3.07Å; Y574-T577 PolarHBondContact O-N 3.28Å; Y574-T577 VanDerWaalsContact O-N 3.07Å; Y574-T577 PolarHBondContact O-OG1 3.47Å
575	G	93.2	Very high	96.4	Very high	8 Å²	8	50.8 Å²	50.8	8%	0.082	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	55.2	-132.2	-174.2	0	0	0	0	0	111.5	S531 T577 L578	S531-G575 WeakPolarHBondContact O-CA 3.05Å; S531-G575 PolarHBondContact O-N 3.33Å; S531-G575 VanDerWaalsContact OG-C 3.27Å; S531-G575 WeakPolarHBondContact OG-CA 3.4Å; S531-G575 PolarHBondContact OG-O 3.5Å; G575-T577 PolarHBondContact O-N 2.96Å; G575-L578 VanDerWaalsContact O-CB 3.25Å; G575-L578 WeakPolarHBondContact O-CB 3.24Å; G575-L578 PolarHBondContact O-N 2.95Å
576	H	91.9	Very high	95.8	Very high	128 Å²	128	52.8 Å²	52.8	59%	0.593	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-59.5	-13.2	177.5	71.4	-102.2	0	0	0	115.1	Y574	Y574-H576 PolarHBondContact O-N 3.13Å
577	T	95.6	Very high	95.4	Very high	74 Å²	74	51.8 Å²	51.8	45%	0.454	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-95.9	-2.7	176	66.3	0	0	0	0	114.1	Y574 G575 K579	Y574-T577 PolarHBondContact N-OG1 3.07Å; Y574-T577 PolarHBondContact O-N 3.28Å; Y574-T577 VanDerWaalsContact O-N 3.07Å; Y574-T577 PolarHBondContact O-OG1 3.47Å; G575-T577 PolarHBondContact O-N 2.96Å; T577-K579 PolarHBondContact O-N 3.34Å
578	L	97.6	Very high	95.1	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.016	28%	0.28	C	S	.	.			trans	-57.4	128.1	-179.2	175.4	65.5	0	0	0	111.7	I447 F454 I536 L539 Y571 T572 G575	I447-L578 HydrophobicContact CD1-CB 3.7Å; I447-L578 HydrophobicContact CD1-CD2 3.96Å; I447-L578 HydrophobicContact CD1-CG 4.14Å; F454-L578 HydrophobicContact CZ-CD1 4.34Å; I536-L578 HydrophobicContact CD1-CD1 3.99Å; I536-L578 HydrophobicContact CD1-CD2 4.35Å; I536-L578 HydrophobicContact CG1-CD1 3.87Å; I536-L578 HydrophobicContact CG1-CD2 3.68Å; I536-L578 HydrophobicContact CG1-CG 4.38Å; L539-L578 HydrophobicContact CD1-CD2 4.05Å; Y571-L578 HydrophobicContact CD2-CD1 3.48Å; Y571-L578 VanDerWaalsContact CD2-CD1 3.48Å; Y571-L578 HydrophobicContact CE2-CD1 4.42Å; Y571-L578 HydrophobicContact CG-CD1 3.9Å; T572-L578 CarbonylContact O-C 3.53Å; T572-L578 WeakPolarHBondContact O-CA 3.27Å; G575-L578 VanDerWaalsContact O-CB 3.25Å; G575-L578 WeakPolarHBondContact O-CB 3.24Å; G575-L578 PolarHBondContact O-N 2.95Å
579	K	98.3	Very high	94.8	Very high	93 Å²	93	55.5 Å²	55.5	40%	0.404	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140	173.8	-70.7	-55.2	-167.7	-175.8	0	110.7	E450 Y571 T572 T577	E450-K579 HydrophobicContact CG-CD 3.75Å; E450-K579 WeakPolarHBondContact OE1-CD 3.43Å; E450-K579 IonicContact OE1-NZ 2.71Å; E450-K579 PolarHBondContact OE1-NZ 2.86Å; E450-K579 WeakPolarHBondContact OE2-CD 3.41Å; Y571-K579 CarbonylContact C-O 3.08Å; Y571-K579 VanDerWaalsContact CA-O 3.25Å; Y571-K579 WeakPolarHBondContact CA-O 3.4Å; Y571-K579 WeakPolarHBondContact CB-O 3.37Å; T572-K579 PolarHBondContact N-O 3.42Å; T572-K579 PolarHBondContact O-N 3.35Å; T577-K579 PolarHBondContact O-N 3.34Å
580	W	98.5	Very high	94.5	Very high	70 Å²	70	55.6 Å²	55.6	27%	0.265	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	144.8	169	173.8	80.5	0	0	0	110.7	E450 K453 F454 T457 S569	E450-W580 PolarHBondContact OE2-N 2.85Å; K453-W580 HydrophobicContact CB-CB 3.57Å; K453-W580 HydrophobicContact CB-CD2 3.82Å; K453-W580 HydrophobicContact CB-CE3 4.2Å; K453-W580 HydrophobicContact CB-CG 3.52Å; K453-W580 HydrophobicContact CD-CB 4.29Å; F454-W580 AromaticContact CD1-CD1 3.67Å; F454-W580 HydrophobicContact CD2-CB 3.98Å; F454-W580 AromaticContact CD2-CD1 3.91Å; F454-W580 HydrophobicContact CD2-CG 4.36Å; F454-W580 AromaticContact CE1-CD1 3.95Å; F454-W580 HydrophobicContact CE2-CB 3.74Å; F454-W580 HydrophobicContact CE2-CG 4.41Å; F454-W580 AromaticContact CG-CD1 3.62Å; F454-W580 HydrophobicContact CG-CG 4.47Å; F454-W580 HydrophobicContact CZ-CB 4.14Å; T457-W580 HydrophobicContact CG2-CZ2 4.03Å; T457-W580 VanDerWaalsContact OG1-CZ2 3.28Å; T457-W580 WeakPolarHBondContact OG1-CZ2 3.16Å; S569-W580 PolarHBondContact OG-NE1 2.91Å
581	A	98.3	Very high	94.3	Very high	22 Å²	22	56.4 Å²	56.4	18%	0.182	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	154.8	172.4	0	0	0	0	0	111.7	S570	S570-A581 CarbonylContact C-O 3.59Å; S570-A581 WeakPolarHBondContact CA-O 3.38Å; S570-A581 PolarHBondContact N-O 3.25Å; S570-A581 PolarHBondContact O-N 2.83Å; S570-A581 VanDerWaalsContact O-O 3.05Å
582	E	97.1	Very high	94	Very high	146 Å²	146	57.4 Å²	57.4	68%	0.682	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-60.7	145.4	175.5	-174.9	166.9	-153.3	0	0	111.7	S570 Q584	S570-E582 WeakPolarHBondContact CB-O 3.44Å; S570-E582 PolarHBondContact OG-O 3.26Å; E582-Q584 PolarHBondContact O-N 3.2Å; E582-Q584 PolarHBondContact O-NE2 2.7Å
583	L	96.6	Very high	93.6	Very high	58 Å²	58	58.6 Å²	58.6	30%	0.304	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-60.8	119.5	-173.5	-175.3	61.7	0	0	0	111.5	V567 S570 H587	V567-L583 HydrophobicContact CB-CD1 4.33Å; V567-L583 HydrophobicContact CG1-CD1 3.74Å; V567-L583 WeakPolarHBondContact O-CD2 3.4Å; S570-L583 WeakPolarHBondContact OG-CA 3.26Å; L583-H587 HydrophobicContact CD1-CB 4.37Å
584	Q	93.3	Very high	93.4	Very high	89 Å²	89	62.4 Å²	62.4	42%	0.416	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-101	148.1	-176.6	-63.6	-53.9	-70.5	0	0	110.6	S570 E582 N586 H587 S588	S570-Q584 WeakPolarHBondContact OG-CB 3.49Å; S570-Q584 WeakPolarHBondContact OG-CG 3.29Å; S570-Q584 PolarHBondContact OG-N 2.62Å; E582-Q584 PolarHBondContact O-N 3.2Å; E582-Q584 PolarHBondContact O-NE2 2.7Å; Q584-N586 VanDerWaalsContact CB-OD1 3.24Å; Q584-N586 WeakPolarHBondContact CB-OD1 3.38Å; Q584-N586 PolarHBondContact O-N 2.73Å; Q584-H587 PolarHBondContact O-N 3.29Å; Q584-H587 VanDerWaalsContact O-N 3.08Å; Q584-S588 PolarHBondContact O-N 3.34Å; Q584-S588 VanDerWaalsContact O-N 3.11Å; Q584-S588 PolarHBondContact O-OG 3.22Å
585	P	89.7	Confident	93.4	Very high	73 Å²	73	58.8 Å²	58.8	47%	0.474	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-27.3	-177.8	-29.8	36.3	0	0	0	115.6	S588 R589	P585-S588 WeakPolarHBondContact CA-OG 3.14Å; P585-R589 WeakPolarHBondContact O-CG 3.37Å; P585-R589 PolarHBondContact O-N 3.01Å
586	N	84.9	Confident	93.5	Very high	45 Å²	45	60.1 Å²	60.1	24%	0.241	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-39.2	179.6	73.1	-69.4	0	0	0	112.8	D508 Q584 R589	D508-N586 WeakPolarHBondContact OD1-CB 3.27Å; D508-N586 PolarHBondContact OD1-ND2 3.39Å; Q584-N586 VanDerWaalsContact CB-OD1 3.24Å; Q584-N586 WeakPolarHBondContact CB-OD1 3.38Å; Q584-N586 PolarHBondContact O-N 2.73Å; N586-R589 WeakPolarHBondContact O-CG 3.33Å; N586-R589 PolarHBondContact O-NH1 2.99Å; N586-R589 VanDerWaalsContact O-NH1 3.09Å
587	H	90.7	Very high	93.6	Very high	13 Å²	13	54.9 Å²	54.9	6%	0.06	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-27.1	175.7	-56.2	134.7	0	0	0	112	M540 V567 S570 L583 Q584	M540-H587 HydrophobicContact CE-CB 3.75Å; V567-H587 HydrophobicContact CG1-CB 4.46Å; S570-H587 VanDerWaalsContact CB-ND1 3.31Å; S570-H587 WeakPolarHBondContact CB-ND1 3.34Å; S570-H587 PolarHBondContact OG-ND1 2.84Å; L583-H587 HydrophobicContact CD1-CB 4.37Å; Q584-H587 PolarHBondContact O-N 3.29Å; Q584-H587 VanDerWaalsContact O-N 3.08Å
588	S	91.9	Very high	93.5	Very high	33 Å²	33	57 Å²	57	23%	0.231	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	5.7	179.7	64.3	0	0	0	0	114.8	Q584 P585 Q590 N591	Q584-S588 PolarHBondContact O-N 3.34Å; Q584-S588 VanDerWaalsContact O-N 3.11Å; Q584-S588 PolarHBondContact O-OG 3.22Å; P585-S588 WeakPolarHBondContact CA-OG 3.14Å; S588-Q590 PolarHBondContact O-N 3.26Å; S588-N591 VanDerWaalsContact O-CB 3.29Å; S588-N591 WeakPolarHBondContact O-CB 3.34Å; S588-N591 PolarHBondContact O-N 2Å
589	R	90.4	Very high	93.4	Very high	55 Å²	55	57 Å²	57	21%	0.208	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-51.5	-34.1	178.4	-70.8	-175	-168.7	104.1	4.2	113.7	D508 A510 P585 N586 N591 F595	D508-R589 WeakPolarHBondContact O-CD 3.43Å; D508-R589 PolarHBondContact O-NH1 2.98Å; D508-R589 IonicContact OD1-CZ 3.77Å; D508-R589 IonicContact OD1-NH1 2.91Å; D508-R589 PolarHBondContact OD1-NH1 3.24Å; D508-R589 IonicContact OD1-NH2 3.73Å; A510-R589 HydrophobicContact CB-CB 4.42Å; P585-R589 WeakPolarHBondContact O-CG 3.37Å; P585-R589 PolarHBondContact O-N 3.01Å; N586-R589 WeakPolarHBondContact O-CG 3.33Å; N586-R589 PolarHBondContact O-NH1 2.99Å; N586-R589 VanDerWaalsContact O-NH1 3.09Å; R589-N591 VanDerWaalsContact C-N 3.34Å; R589-F595 WeakPolarHBondContact O-CE2 3.36Å
590	Q	92.1	Very high	93.3	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.009	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-74.8	-18	178	59	167.9	83.3	0	0	114.3	A510 A565 V567 S588 T592 L602 V604	A510-Q590 HydrophobicContact CB-CB 4.15Å; A565-Q590 PolarHBondContact O-NE2 2.8Å; V567-Q590 VanDerWaalsContact CG2-CD 3.41Å; V567-Q590 HydrophobicContact CG2-CG 3.57Å; S588-Q590 PolarHBondContact O-N 3.26Å; Q590-T592 VanDerWaalsContact C-N 3.25Å; Q590-T592 PolarHBondContact O-N 3.25Å; Q590-T592 VanDerWaalsContact O-N 3.15Å; Q590-L602 WeakPolarHBondContact O-CD1 3.25Å; Q590-L602 WeakPolarHBondContact O-CD2 3.49Å; Q590-V604 HydrophobicContact CB-CG2 3.68Å
591	N	94.9	Very high	93.2	Very high	17 Å²	17	50 Å²	50	9%	0.091	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-81.2	16.5	-169.6	-70.9	-8.6	0	0	0	115.1	Y566 V567 S588 R589	Y566-N591 HydrophobicContact CD2-CB 4.3Å; Y566-N591 HydrophobicContact CE1-CB 4.25Å; Y566-N591 VanDerWaalsContact CE1-ND2 3.34Å; Y566-N591 WeakPolarHBondContact CE1-ND2 3.37Å; Y566-N591 HydrophobicContact CE2-CB 3.67Å; V567-N591 PolarHBondContact N-OD1 3.39Å; V567-N591 PolarHBondContact O-ND2 3.16Å; S588-N591 VanDerWaalsContact O-CB 3.29Å; S588-N591 WeakPolarHBondContact O-CB 3.34Å; S588-N591 PolarHBondContact O-N 2Å; R589-N591 VanDerWaalsContact C-N 3.34Å
592	T	91.1	Very high	93.1	Very high	52 Å²	52	49 Å²	49	32%	0.319	25%	0.246	S	C	.	.			trans	-94.1	142.5	-175.4	-147	0	0	0	0	111.6	Q590 E594 F595	Q590-T592 VanDerWaalsContact C-N 3.25Å; Q590-T592 PolarHBondContact O-N 3.25Å; Q590-T592 VanDerWaalsContact O-N 3.15Å; T592-E594 VanDerWaalsContact C-N 3.26Å; T592-E594 WeakPolarHBondContact CB-OE2 3.4Å; T592-E594 HydrophobicContact CG2-CB 4.22Å; T592-E594 WeakPolarHBondContact CG2-OE2 3.22Å; T592-E594 PolarHBondContact O-N 3.43Å; T592-E594 PolarHBondContact OG1-OE2 2.82Å; T592-F595 HydrophobicContact CG2-CB 3.89Å; T592-F595 HydrophobicContact CG2-CD1 3.74Å; T592-F595 HydrophobicContact CG2-CD2 3.54Å; T592-F595 HydrophobicContact CG2-CE1 4.09Å; T592-F595 HydrophobicContact CG2-CE2 3.9Å; T592-F595 HydrophobicContact CG2-CG 3.44Å; T592-F595 VanDerWaalsContact CG2-CG 3.44Å; T592-F595 HydrophobicContact CG2-CZ 4.16Å; T592-F595 PolarHBondContact O-N 3.3Å; T592-F595 VanDerWaalsContact O-N 3.09Å
593	N	90.3	Very high	93.1	Very high	109 Å²	109	43.1 Å²	43.1	58%	0.583	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-69.9	-26.4	-172.6	-76	-38.2	0	0	0	112.7	F595 R596	N593-F595 PolarHBondContact O-N 3.45Å; N593-R596 WeakPolarHBondContact O-CB 3.08Å; N593-R596 PolarHBondContact O-N 2.95Å; N593-R596 PolarHBondContact OD1-NE 3.45Å
594	E	90.8	Very high	93.1	Very high	118 Å²	118	40.6 Å²	40.6	55%	0.551	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-63	-26.6	174.2	-56.2	63.8	-136.8	0	0	110.7	T592 R596 R603	T592-E594 VanDerWaalsContact C-N 3.26Å; T592-E594 WeakPolarHBondContact CB-OE2 3.4Å; T592-E594 HydrophobicContact CG2-CB 4.22Å; T592-E594 WeakPolarHBondContact CG2-OE2 3.22Å; T592-E594 PolarHBondContact O-N 3.43Å; T592-E594 PolarHBondContact OG1-OE2 2.82Å; E594-R596 VanDerWaalsContact C-N 3.34Å; E594-R603 PolarHBondContact O-NH2 3.49Å
595	F	94.3	Very high	93.3	Very high	27 Å²	27	36.3 Å²	36.3	12%	0.118	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-87.2	3	175.3	-65.8	-5.6	0	0	0	113	L250 V254 A510 L511 R589 T592 N593 R603	L250-F595 HydrophobicContact CD1-CE2 3.95Å; L250-F595 HydrophobicContact CD1-CZ 3.88Å; L250-F595 HydrophobicContact CD2-CE2 4.36Å; L250-F595 HydrophobicContact CD2-CZ 4.16Å; L250-F595 HydrophobicContact CG-CZ 4.19Å; V254-F595 HydrophobicContact CG2-CE1 3.86Å; V254-F595 HydrophobicContact CG2-CZ 4.34Å; A510-F595 HydrophobicContact CB-CD2 4.14Å; A510-F595 HydrophobicContact CB-CE2 3.94Å; L511-F595 HydrophobicContact CD1-CD1 3.97Å; L511-F595 HydrophobicContact CD1-CE1 3.81Å; L511-F595 HydrophobicContact CD1-CE2 4.46Å; L511-F595 HydrophobicContact CD1-CG 4.39Å; L511-F595 HydrophobicContact CD1-CZ 4.07Å; L511-F595 HydrophobicContact CD2-CB 3.96Å; L511-F595 HydrophobicContact CD2-CD1 4.02Å; L511-F595 HydrophobicContact CD2-CD2 4.16Å; L511-F595 HydrophobicContact CD2-CG 3.77Å; L511-F595 HydrophobicContact CG-CD1 4.23Å; L511-F595 HydrophobicContact CG-CD2 4.13Å; L511-F595 HydrophobicContact CG-CE1 4.36Å; L511-F595 HydrophobicContact CG-CE2 4.27Å; L511-F595 HydrophobicContact CG-CG 4.13Å; L511-F595 HydrophobicContact CG-CZ 4.38Å; R589-F595 WeakPolarHBondContact O-CE2 3.36Å; T592-F595 HydrophobicContact CG2-CB 3.89Å; T592-F595 HydrophobicContact CG2-CD1 3.74Å; T592-F595 HydrophobicContact CG2-CD2 3.54Å; T592-F595 HydrophobicContact CG2-CE1 4.09Å; T592-F595 HydrophobicContact CG2-CE2 3.9Å; T592-F595 HydrophobicContact CG2-CG 3.44Å; T592-F595 VanDerWaalsContact CG2-CG 3.44Å; T592-F595 HydrophobicContact CG2-CZ 4.16Å; T592-F595 PolarHBondContact O-N 3.3Å; T592-F595 VanDerWaalsContact O-N 3.09Å; N593-F595 PolarHBondContact O-N 3.45Å; F595-R603 WeakPolarHBondContact O-CB 3.22Å; F595-R603 WeakPolarHBondContact O-CG 3.37Å; F595-R603 PolarHBondContact O-N 3.14Å; F595-R603 PolarHBondContact O-NE 2.92Å; F595-R603 VanDerWaalsContact O-NE 3.13Å
596	R	94.4	Very high	93.8	Very high	35 Å²	35	33.1 Å²	33.1	13%	0.132	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-72.5	150.2	172.2	-68	-179.9	-171.3	-82.8	0.7	112.3	H416 D468 N593 E594 G600 R601 L602 R603	H416-R596 PolarHBondContact NE2-NH1 2.88Å; H416-R596 VanDerWaalsContact NE2-NH1 3.18Å; D468-R596 PolarHBondContact O-NH1 3.36Å; D468-R596 PolarHBondContact O-NH2 3.38Å; N593-R596 WeakPolarHBondContact O-CB 3.08Å; N593-R596 PolarHBondContact O-N 2.95Å; N593-R596 PolarHBondContact OD1-NE 3.45Å; E594-R596 VanDerWaalsContact C-N 3.34Å; R596-G600 WeakPolarHBondContact CD-O 3.47Å; R596-G600 PolarHBondContact NH1-O 2.74Å; R596-R601 CarbonylContact C-O 3.48Å; R596-R601 VanDerWaalsContact CA-O 3.22Å; R596-R601 WeakPolarHBondContact CA-O 3.5Å; R596-L602 HydrophobicContact CG-CD2 3.82Å; R596-R603 PolarHBondContact O-NE 2.83Å
597	D	94.8	Very high	94.4	Very high	18 Å²	18	31 Å²	31	10%	0.096	15%	0.152	C	C	.	.			trans	-89.4	179.1	168.6	72.6	8.8	0	0	0	112.1	F599 G600 R601 R603	D597-F599 PolarHBondContact O-N 2.67Å; D597-F599 WeakPolarHBondContact OD1-CA 3.45Å; D597-F599 WeakPolarHBondContact OD1-CB 3.22Å; D597-F599 PolarHBondContact OD1-N 3.14Å; D597-G600 PolarHBondContact O-N 3.32Å; D597-G600 PolarHBondContact OD1-N 3Å; D597-R601 PolarHBondContact N-O 2.65Å; D597-R601 PolarHBondContact OD1-N 2.71Å; D597-R601 IonicContact OD1-NE 2.75Å; D597-R601 IonicContact OD2-CZ 2.89Å; D597-R601 VanDerWaalsContact OD2-CZ 3.23Å; D597-R601 IonicContact OD2-NE 3.25Å; D597-R601 PolarHBondContact OD2-NE 2.89Å; D597-R601 IonicContact OD2-NH2 2.7Å; D597-R601 PolarHBondContact OD2-NH2 3.5Å; D597-R603 HydrophobicContact CB-CG 3.89Å
598	R	93.4	Very high	94.8	Very high	120 Å²	120	30.4 Å²	30.4	45%	0.453	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-9.1	178.3	76.5	-173.7	81.9	-132.8	1	114.7	N261 T263	N261-R598 PolarHBondContact OD1-NH2 3.13Å; T263-R598 PolarHBondContact OG1-NE 2.68Å; T263-R598 PolarHBondContact OG1-NH2 3.45Å
599	F	95.5	Very high	95.1	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	3.4	177.9	-52.7	-57.5	0	0	0	112.5	T263 D267 L268 N269 I282 F285 D597 R601	T263-F599 HydrophobicContact CG2-CD2 4.16Å; T263-F599 HydrophobicContact CG2-CE2 3.52Å; T263-F599 HydrophobicContact CG2-CZ 4.43Å; D267-F599 WeakPolarHBondContact OD1-CZ 3.42Å; L268-F599 HydrophobicContact CB-CD1 4.15Å; L268-F599 HydrophobicContact CB-CE1 3.59Å; L268-F599 HydrophobicContact CB-CE2 4.4Å; L268-F599 HydrophobicContact CB-CZ 3.71Å; L268-F599 HydrophobicContact CD1-CD1 3.89Å; L268-F599 HydrophobicContact CD1-CE1 4.21Å; L268-F599 HydrophobicContact CD1-CG 4.14Å; L268-F599 HydrophobicContact CG-CD1 4.17Å; L268-F599 HydrophobicContact CG-CD2 4.49Å; L268-F599 HydrophobicContact CG-CE1 4.05Å; L268-F599 HydrophobicContact CG-CE2 4.35Å; L268-F599 HydrophobicContact CG-CG 4.38Å; L268-F599 HydrophobicContact CG-CZ 4.12Å; N269-F599 VanDerWaalsContact ND2-CZ 3.35Å; N269-F599 WeakPolarHBondContact ND2-CZ 3.04Å; I282-F599 HydrophobicContact CD1-CB 3.84Å; I282-F599 HydrophobicContact CD1-CD1 4.1Å; I282-F599 HydrophobicContact CD1-CG 4.4Å; F285-F599 HydrophobicContact CD2-CD1 4.4Å; F285-F599 HydrophobicContact CD2-CE1 4.07Å; F285-F599 HydrophobicContact CE2-CD1 4.41Å; F285-F599 AromaticContact CE2-CE1 3.67Å; F285-F599 HydrophobicContact CE2-CE1 3.67Å; F285-F599 HydrophobicContact CZ-CE1 4.03Å; D597-F599 PolarHBondContact O-N 2.67Å; D597-F599 WeakPolarHBondContact OD1-CA 3.45Å; D597-F599 WeakPolarHBondContact OD1-CB 3.22Å; D597-F599 PolarHBondContact OD1-N 3.14Å; F599-R601 VanDerWaalsContact C-N 3.31Å; F599-R601 HydrophobicContact CB-CG 4.15Å
600	G	95.4	Very high	95.5	Very high	18 Å²	18	26.3 Å²	26.3	19%	0.186	13%	0.129	C	C	.	.	S	Bend	trans	78.4	10	-177.7	0	0	0	0	0	114.1	G469 A470 R596 D597	G469-G600 VanDerWaalsContact CA-O 3.25Å; G469-G600 WeakPolarHBondContact CA-O 3.47Å; A470-G600 PolarHBondContact N-O 3.47Å; R596-G600 WeakPolarHBondContact CD-O 3.47Å; R596-G600 PolarHBondContact NH1-O 2.74Å; D597-G600 PolarHBondContact O-N 3.32Å; D597-G600 PolarHBondContact OD1-N 3Å
601	R	97.4	Very high	95.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.			trans	-89.2	138.3	-179.9	-50.1	177.4	-59.4	-168.8	3.6	109.5	L264 P266 A470 S472 V563 R596 D597 F599 R603	L264-R601 PolarHBondContact O-NH2 3.23Å; P266-R601 PolarHBondContact O-NH1 3.08Å; P266-R601 PolarHBondContact O-NH2 2.92Å; A470-R601 HydrophobicContact CB-CG 4.11Å; A470-R601 WeakPolarHBondContact O-CA 3.37Å; A470-R601 WeakPolarHBondContact O-CG 2.76Å; S472-R601 WeakPolarHBondContact OG-CD 3.25Å; S472-R601 PolarHBondContact OG-NH1 3.25Å; V563-R601 HydrophobicContact CG1-CB 4.16Å; R596-R601 CarbonylContact C-O 3.48Å; R596-R601 VanDerWaalsContact CA-O 3.22Å; R596-R601 WeakPolarHBondContact CA-O 3.5Å; D597-R601 PolarHBondContact N-O 2.65Å; D597-R601 PolarHBondContact OD1-N 2.71Å; D597-R601 IonicContact OD1-NE 2.75Å; D597-R601 IonicContact OD2-CZ 2.89Å; D597-R601 VanDerWaalsContact OD2-CZ 3.23Å; D597-R601 IonicContact OD2-NE 3.25Å; D597-R601 PolarHBondContact OD2-NE 2.89Å; D597-R601 IonicContact OD2-NH2 2.7Å; D597-R601 PolarHBondContact OD2-NH2 3.5Å; F599-R601 VanDerWaalsContact C-N 3.31Å; F599-R601 HydrophobicContact CB-CG 4.15Å; R601-R603 PolarHBondContact O-N 2.92Å
602	L	97.1	Very high	95.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-58.5	136.9	170	-53.7	174.9	0	0	0	109.5	G564 Y566 Q590 R596 V604	G564-L602 WeakPolarHBondContact CA-O 3.49Å; G564-L602 PolarHBondContact N-O 3.11Å; Y566-L602 HydrophobicContact CD2-CD1 3.93Å; Q590-L602 WeakPolarHBondContact O-CD1 3.25Å; Q590-L602 WeakPolarHBondContact O-CD2 3.49Å; R596-L602 HydrophobicContact CG-CD2 3.82Å; L602-V604 PolarHBondContact O-N 3.42Å
603	R	96.4	Very high	96.1	Very high	22 Å²	22	26.7 Å²	26.7	8%	0.083	13%	0.13	C	C	.	.	S	Bend	trans	-76.4	47.7	179.9	-73.1	179.4	-74.9	168	-0.9	112.7	F257 L264 L511 E594 F595 R596 D597 R601	F257-R603 HydrophobicContact CD1-CB 4.44Å; F257-R603 HydrophobicContact CD1-CG 4.33Å; F257-R603 HydrophobicContact CE1-CB 4.03Å; F257-R603 HydrophobicContact CE1-CG 4.13Å; F257-R603 HydrophobicContact CZ-CB 4.26Å; L264-R603 HydrophobicContact CD1-CB 4.44Å; L511-R603 VanDerWaalsContact CA-O 3.29Å; L511-R603 WeakPolarHBondContact CA-O 3.35Å; L511-R603 HydrophobicContact CD2-CB 3.57Å; E594-R603 PolarHBondContact O-NH2 3.49Å; F595-R603 WeakPolarHBondContact O-CB 3.22Å; F595-R603 WeakPolarHBondContact O-CG 3.37Å; F595-R603 PolarHBondContact O-N 3.14Å; F595-R603 PolarHBondContact O-NE 2.92Å; F595-R603 VanDerWaalsContact O-NE 3.13Å; R596-R603 PolarHBondContact O-NE 2.83Å; D597-R603 HydrophobicContact CB-CG 3.89Å; R601-R603 PolarHBondContact O-N 2.92Å
604	V	96.1	Very high	96.4	Very high	5 Å²	5	22 Å²	22	3%	0.03	10%	0.104	C	C	.	.			trans	-123	130.3	167.7	175.4	0	0	0	0	108	A510 Q514 V563 G564 Q590 L602	A510-V604 HydrophobicContact CB-CG2 4.31Å; Q514-V604 HydrophobicContact CG-CG1 4.22Å; V563-V604 WeakPolarHBondContact CA-O 3.42Å; G564-V604 PolarHBondContact N-O 3.19Å; Q590-V604 HydrophobicContact CB-CG2 3.68Å; L602-V604 PolarHBondContact O-N 3.42Å
605	E	98.3	Very high	96.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.5	163.3	169.8	178.9	-135.3	0	0	108.6	C512 T513 Q514 S561 I562 V563 I607 S644 Q645	C512-E605 PolarHBondContact O-N 3.18Å; T513-E605 WeakPolarHBondContact CB-OE2 3.5Å; T513-E605 HydrophobicContact CG2-CG 4.14Å; T513-E605 WeakPolarHBondContact CG2-OE2 3.49Å; T513-E605 PolarHBondContact OG1-OE2 3.29Å; Q514-E605 PolarHBondContact N-O 3.4Å; S561-E605 VanDerWaalsContact CB-OE1 3.31Å; S561-E605 WeakPolarHBondContact CB-OE1 3.35Å; S561-E605 PolarHBondContact OG-OE1 3.3Å; I562-E605 CarbonylContact O-C 3.55Å; I562-E605 WeakPolarHBondContact O-CA 3.28Å; V563-E605 HydrophobicContact CG2-CB 4.06Å; V563-E605 HydrophobicContact CG2-CG 4.39Å; E605-I607 HydrophobicContact CG-CB 4.25Å; E605-S644 VanDerWaalsContact CD-OG 3.27Å; E605-S644 WeakPolarHBondContact OE1-CB 3.46Å; E605-S644 PolarHBondContact OE1-OG 2.94Å; E605-S644 PolarHBondContact OE2-OG 3.24Å; E605-S644 VanDerWaalsContact OE2-OG 3.13Å; E605-Q645 PolarHBondContact OE1-NE2 3.22Å; E605-Q645 VanDerWaalsContact OE2-CG 3.26Å; E605-Q645 WeakPolarHBondContact OE2-CG 3.21Å; E605-Q645 PolarHBondContact OE2-NE2 2.98Å
606	T	98.7	Very high	96.4	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.031	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.1	155.2	-58.8	0	0	0	0	108	Q514 D516 R537 M544 I562	Q514-T606 CarbonylContact O-C 3.48Å; Q514-T606 VanDerWaalsContact O-CA 3.28Å; Q514-T606 WeakPolarHBondContact O-CA 3.44Å; D516-T606 HydrophobicContact CB-CG2 3.63Å; R537-T606 HydrophobicContact CG-CG2 4.42Å; R537-T606 PolarHBondContact NE-OG1 2.94Å; R537-T606 PolarHBondContact NH2-OG1 2.81Å; R537-T606 VanDerWaalsContact NH2-OG1 3.08Å; M544-T606 HydrophobicContact CE-CG2 3.59Å; I562-T606 PolarHBondContact N-O 3.01Å; I562-T606 PolarHBondContact O-N 3.12Å
607	I	98.6	Very high	96.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	112.1	-177.4	-172.5	72.7	0	0	0	110.4	T513 Q514 V515 D516 A559 E605	T513-I607 HydrophobicContact CG2-CB 3.99Å; T513-I607 HydrophobicContact CG2-CG2 3.35Å; Q514-I607 PolarHBondContact O-N 2.91Å; V515-I607 HydrophobicContact CG2-CG2 4.06Å; D516-I607 PolarHBondContact N-O 3.32Å; A559-I607 HydrophobicContact CB-CD1 4.25Å; E605-I607 HydrophobicContact CG-CB 4.25Å
608	A	98.8	Very high	96.3	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	123	177.1	0	0	0	0	0	110.9	D516 A518 L522 M554 I560	D516-A608 HydrophobicContact CB-CB 4.37Å; A518-A608 HydrophobicContact CB-CB 3.74Å; L522-A608 HydrophobicContact CD1-CB 3.38Å; M554-A608 HydrophobicContact CE-CB 4.29Å; I560-A608 HydrophobicContact CB-CB 4.24Å; I560-A608 PolarHBondContact N-O 3.11Å; I560-A608 PolarHBondContact O-N 3.22Å
609	I	98.7	Very high	96.4	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.			trans	-136.4	119.2	173.2	46.5	167.5	0	0	0	110.9	V515 D516 A559 K637 A638 F642 W659	V515-I609 HydrophobicContact CG1-CD1 3.81Å; V515-I609 HydrophobicContact CG1-CG1 3.78Å; D516-I609 PolarHBondContact O-N 3.23Å; A559-I609 HydrophobicContact CB-CG2 3.83Å; I609-K637 HydrophobicContact CB-CD 3.98Å; I609-K637 HydrophobicContact CB-CG 4.08Å; I609-K637 HydrophobicContact CG2-CD 3.97Å; I609-K637 HydrophobicContact CG2-CG 4.3Å; I609-A638 HydrophobicContact CD1-CB 4.22Å; I609-F642 HydrophobicContact CD1-CE1 3.84Å; I609-F642 HydrophobicContact CD1-CZ 4.38Å; I609-W659 HydrophobicContact CB-CZ2 4.29Å; I609-W659 HydrophobicContact CD1-CD2 4.22Å; I609-W659 HydrophobicContact CD1-CZ2 4.01Å; I609-W659 HydrophobicContact CG1-CZ2 4.28Å; I609-W659 PolarHBondContact O-NE1 3.39Å
610	D	98.3	Very high	96.4	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-77.1	138.5	177.4	55.6	-80.9	0	0	0	113.3	A518 E520 M554 R633 K637 W659	A518-D610 VanDerWaalsContact O-CA 3.25Å; A518-D610 WeakPolarHBondContact O-CA 3.3Å; E520-D610 HydrophobicContact CB-CB 4.05Å; M554-D610 WeakPolarHBondContact CB-OD1 3.49Å; M554-D610 HydrophobicContact CE-CB 4.2Å; M554-D610 WeakPolarHBondContact CE-OD1 3.39Å; D610-R633 PolarHBondContact O-NH1 3.37Å; D610-R633 IonicContact OD2-CZ 3.45Å; D610-R633 IonicContact OD2-NH1 3.34Å; D610-R633 PolarHBondContact OD2-NH1 2.73Å; D610-R633 IonicContact OD2-NH2 3.66Å; D610-R633 PolarHBondContact OD2-NH2 3.17Å; D610-K637 WeakPolarHBondContact O-CG 3.4Å; D610-K637 WeakPolarHBondContact OD1-CE 3.43Å; D610-K637 IonicContact OD1-NZ 2.67Å; D610-K637 PolarHBondContact OD1-NZ 2.87Å; D610-K637 IonicContact OD2-NZ 3.39Å; D610-K637 PolarHBondContact OD2-NZ 3.03Å; D610-W659 WeakPolarHBondContact O-CZ2 3.45Å
611	A	98.1	Very high	96.4	Very high	8 Å²	8	30.3 Å²	30.3	7%	0.066	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-89.3	165	171.2	0	0	0	0	0	111.6	W659 F664	A611-W659 HydrophobicContact CB-CZ2 4.24Å; A611-F664 HydrophobicContact CB-CB 4.39Å; A611-F664 HydrophobicContact CB-CD1 3.85Å; A611-F664 HydrophobicContact CB-CE1 4.48Å; A611-F664 HydrophobicContact CB-CG 4.32Å; A611-F664 WeakPolarHBondContact O-CD1 3.13Å; A611-F664 WeakPolarHBondContact O-CE1 3.44Å
612	I	97.7	Very high	96.3	Very high	33 Å²	33	30.5 Å²	30.5	17%	0.169	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-73.4	132.8	162.2	-61.4	172.3	0	0	0	108.8	F614 N630 R633 E634	I612-F614 HydrophobicContact CB-CD2 4.35Å; I612-F614 HydrophobicContact CB-CE1 4.23Å; I612-F614 HydrophobicContact CB-CE2 3.56Å; I612-F614 HydrophobicContact CB-CZ 3.48Å; I612-F614 VanDerWaalsContact CB-CZ 3.48Å; I612-F614 HydrophobicContact CD1-CZ 4.03Å; I612-F614 HydrophobicContact CG1-CZ 4.33Å; I612-F614 HydrophobicContact CG2-CD1 4.11Å; I612-F614 HydrophobicContact CG2-CD2 4.21Å; I612-F614 HydrophobicContact CG2-CE1 3.62Å; I612-F614 HydrophobicContact CG2-CE2 3.73Å; I612-F614 HydrophobicContact CG2-CG 4.39Å; I612-F614 HydrophobicContact CG2-CZ 3.41Å; I612-F614 VanDerWaalsContact CG2-CZ 3.41Å; I612-F614 VanDerWaalsContact O-CD2 3.27Å; I612-F614 WeakPolarHBondContact O-CD2 3.38Å; I612-F614 VanDerWaalsContact O-CE2 3.31Å; I612-F614 WeakPolarHBondContact O-CE2 3.47Å; I612-N630 HydrophobicContact CD1-CB 3.92Å; I612-R633 HydrophobicContact CD1-CB 4.32Å; I612-R633 HydrophobicContact CD1-CG 4.08Å; I612-R633 HydrophobicContact CG1-CG 4.5Å; I612-R633 VanDerWaalsContact CG1-NE 3.29Å; I612-E634 HydrophobicContact CD1-CG 4.11Å; I612-E634 HydrophobicContact CG1-CG 4.35Å; I612-E634 PolarHBondContact N-OE1 3Å; I612-E634 PolarHBondContact N-OE2 2.71Å
613	L	95.9	Very high	96.2	Very high	38 Å²	38	32 Å²	32	20%	0.199	18%	0.179	C	C	.	.			trans	-83	111	171.1	168.9	56.7	0	0	0	109.3	D15 K615 A663 F664	D15-L613 HydrophobicContact CB-CD2 4.35Å; L613-K615 VanDerWaalsContact CD2-CE 3.43Å; L613-K615 HydrophobicContact CG-CG 4.18Å; L613-A663 WeakPolarHBondContact CD1-O 3.18Å; L613-F664 HydrophobicContact CB-CD1 3.76Å; L613-F664 HydrophobicContact CB-CE1 4.09Å; L613-F664 HydrophobicContact CB-CG 4.36Å
614	F	95.3	Very high	96.2	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.044	20%	0.196	C	C	.	.			trans	-91.7	135.4	177.2	-62	-81.8	0	0	0	111	I612 C621 E624 Q625 N630 F664 N665	I612-F614 HydrophobicContact CB-CD2 4.35Å; I612-F614 HydrophobicContact CB-CE1 4.23Å; I612-F614 HydrophobicContact CB-CE2 3.56Å; I612-F614 HydrophobicContact CB-CZ 3.48Å; I612-F614 VanDerWaalsContact CB-CZ 3.48Å; I612-F614 HydrophobicContact CD1-CZ 4.03Å; I612-F614 HydrophobicContact CG1-CZ 4.33Å; I612-F614 HydrophobicContact CG2-CD1 4.11Å; I612-F614 HydrophobicContact CG2-CD2 4.21Å; I612-F614 HydrophobicContact CG2-CE1 3.62Å; I612-F614 HydrophobicContact CG2-CE2 3.73Å; I612-F614 HydrophobicContact CG2-CG 4.39Å; I612-F614 HydrophobicContact CG2-CZ 3.41Å; I612-F614 VanDerWaalsContact CG2-CZ 3.41Å; I612-F614 VanDerWaalsContact O-CD2 3.27Å; I612-F614 WeakPolarHBondContact O-CD2 3.38Å; I612-F614 VanDerWaalsContact O-CE2 3.31Å; I612-F614 WeakPolarHBondContact O-CE2 3.47Å; F614-C621 HydrophobicContact CB-CB 3.91Å; F614-E624 HydrophobicContact CD1-CB 3.84Å; F614-E624 HydrophobicContact CE1-CB 4.05Å; F614-Q625 HydrophobicContact CD1-CG 3.74Å; F614-Q625 HydrophobicContact CD2-CG 3.5Å; F614-Q625 HydrophobicContact CE1-CB 4.43Å; F614-Q625 HydrophobicContact CE1-CG 3.52Å; F614-Q625 HydrophobicContact CE2-CG 3.28Å; F614-Q625 HydrophobicContact CG-CG 3.73Å; F614-Q625 HydrophobicContact CZ-CB 4.36Å; F614-Q625 HydrophobicContact CZ-CG 3.28Å; F614-N630 HydrophobicContact CZ-CB 4.47Å; F614-F664 PolarHBondContact N-O 2.87Å; F614-N665 HydrophobicContact CB-CB 4.35Å; F614-N665 WeakPolarHBondContact O-CB 3.4Å; F614-N665 PolarHBondContact O-ND2 2.67Å
615	K	92.4	Very high	96.2	Very high	94 Å²	94	35.6 Å²	35.6	41%	0.409	20%	0.196	S	C	.	.			trans	-129.2	144.8	-174.9	-53.1	-177.7	-169.2	-178.2	0	109.8	D15 D18 L613 C621	D15-K615 WeakPolarHBondContact OD1-CE 3.35Å; D15-K615 IonicContact OD1-NZ 2.7Å; D15-K615 PolarHBondContact OD1-NZ 2.98Å; D18-K615 WeakPolarHBondContact OD2-CD 3.46Å; D18-K615 VanDerWaalsContact OD2-CE 3.24Å; D18-K615 WeakPolarHBondContact OD2-CE 3.3Å; D18-K615 IonicContact OD2-NZ 2.79Å; D18-K615 PolarHBondContact OD2-NZ 3.38Å; L613-K615 VanDerWaalsContact CD2-CE 3.43Å; L613-K615 HydrophobicContact CG-CG 4.18Å; K615-C621 VanDerWaalsContact C-SG 3.57Å
616	G	92.8	Very high	96.1	Very high	63 Å²	63	36 Å²	36	65%	0.649	20%	0.199	S	C	*	.	S	Bend	trans	125.4	-160.5	-177.1	0	0	0	0	0	112.4
617	S	94.8	Very high	95.9	Very high	58 Å²	58	38.4 Å²	38.4	41%	0.406	21%	0.211	S	C	.	.	S	Bend	trans	-73.1	167.8	169.7	80.2	0	0	0	0	111.3	L619 D620 C621	S617-L619 PolarHBondContact O-N 3.37Å; S617-L619 VanDerWaalsContact O-N 3.15Å; S617-L619 PolarHBondContact OG-N 2.76Å; S617-D620 WeakPolarHBondContact CA-OD2 3.37Å; S617-D620 WeakPolarHBondContact CB-OD2 3.12Å; S617-D620 PolarHBondContact N-OD2 3.15Å; S617-D620 PolarHBondContact O-N 3.43Å; S617-D620 VanDerWaalsContact O-N 3.07Å; S617-D620 PolarHBondContact OG-N 3.17Å; S617-D620 PolarHBondContact OG-OD2 2.79Å; S617-C621 PolarHBondContact O-N 2.98Å; S617-C621 PolarHBondContact O-SG 3.19Å
618	K	93.4	Very high	95.7	Very high	154 Å²	154	43.2 Å²	43.2	67%	0.67	23%	0.232	S	C	*	.	H	α-helix	trans	-58.7	-26.7	174.8	-63.9	-163.9	175	-166.3	0	113.5	Q622 H730	K618-Q622 VanDerWaalsContact O-CB 3.27Å; K618-Q622 WeakPolarHBondContact O-CB 3.4Å; K618-Q622 PolarHBondContact O-N 3.49Å; K618-H730 HydrophobicContact CB-CB 4.12Å; K618-H730 PolarHBondContact O-CD2 2.99Å
619	L	95.5	Very high	95.6	Very high	54 Å²	54	46.7 Å²	46.7	28%	0.283	26%	0.261	S	S	.	.	H	α-helix	trans	-76.3	-41.8	174.8	176.8	57.3	0	0	0	111.1	S617 Q622 T623 P727 H730	S617-L619 PolarHBondContact O-N 3.37Å; S617-L619 VanDerWaalsContact O-N 3.15Å; S617-L619 PolarHBondContact OG-N 2.76Å; L619-Q622 PolarHBondContact O-N 2.94Å; L619-T623 VanDerWaalsContact O-CB 3.28Å; L619-T623 WeakPolarHBondContact O-CB 3.5Å; L619-T623 PolarHBondContact O-N 3.19Å; L619-T623 PolarHBondContact O-OG1 2.94Å; L619-P727 HydrophobicContact CD1-CB 4.47Å; L619-P727 HydrophobicContact CD1-CG 3.95Å; L619-H730 HydrophobicContact CB-CB 4.26Å
620	D	95.2	Very high	95.5	Very high	80 Å²	80	48.3 Å²	48.3	43%	0.428	27%	0.269	S	S	.	.	H	α-helix	trans	-64.2	-48.3	178.8	-47.9	-48.5	0	0	0	110.1	S617 Q622 T623 E624	S617-D620 WeakPolarHBondContact CA-OD2 3.37Å; S617-D620 WeakPolarHBondContact CB-OD2 3.12Å; S617-D620 PolarHBondContact N-OD2 3.15Å; S617-D620 PolarHBondContact O-N 3.43Å; S617-D620 VanDerWaalsContact O-N 3.07Å; S617-D620 PolarHBondContact OG-N 3.17Å; S617-D620 PolarHBondContact OG-OD2 2.79Å; D620-Q622 VanDerWaalsContact C-N 3.33Å; D620-Q622 PolarHBondContact O-N 3.44Å; D620-T623 PolarHBondContact O-N 2.97Å; D620-E624 WeakPolarHBondContact O-CB 3.44Å; D620-E624 PolarHBondContact O-N 2.84Å
621	C	95.6	Very high	95.4	Very high	8 Å²	8	48.2 Å²	48.2	5%	0.054	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-39.4	176.1	-64.5	0	0	0	0	112.7	F614 K615 S617 Q625	F614-C621 HydrophobicContact CB-CB 3.91Å; K615-C621 VanDerWaalsContact C-SG 3.57Å; S617-C621 PolarHBondContact O-N 2.98Å; S617-C621 PolarHBondContact O-SG 3.19Å; C621-Q625 WeakPolarHBondContact O-CB 3.31Å; C621-Q625 WeakPolarHBondContact O-CG 3.33Å; C621-Q625 PolarHBondContact O-N 2.91Å; C621-Q625 VanDerWaalsContact O-N 3.16Å; C621-Q625 PolarHBondContact O-NE2 2.94Å
622	Q	95.1	Very high	95.2	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.019	28%	0.278	C	S	.	.	H	α-helix	trans	-73	-35	177.1	-171.2	172	59.6	0	0	111.9	K618 L619 D620 L626 D667 P727 F731	K618-Q622 VanDerWaalsContact O-CB 3.27Å; K618-Q622 WeakPolarHBondContact O-CB 3.4Å; K618-Q622 PolarHBondContact O-N 3.49Å; L619-Q622 PolarHBondContact O-N 2.94Å; D620-Q622 VanDerWaalsContact C-N 3.33Å; D620-Q622 PolarHBondContact O-N 3.44Å; Q622-L626 HydrophobicContact CG-CD1 4.26Å; Q622-L626 WeakPolarHBondContact O-CD1 3.31Å; Q622-L626 VanDerWaalsContact O-CG 3.27Å; Q622-L626 WeakPolarHBondContact O-CG 3.41Å; Q622-L626 PolarHBondContact O-N 3Å; Q622-D667 PolarHBondContact NE2-OD2 3.42Å; Q622-P727 HydrophobicContact CG-CG 4.23Å; Q622-F731 PolarHBondContact NE2-O 2.87Å
623	T	95.4	Very high	95.2	Very high	33 Å²	33	50.5 Å²	50.5	20%	0.202	28%	0.277	C	S	.	.	H	α-helix	trans	-68.4	-48.2	177.5	-57.7	0	0	0	0	110.8	L619 D620 Q625 L626 N627 L726	L619-T623 VanDerWaalsContact O-CB 3.28Å; L619-T623 WeakPolarHBondContact O-CB 3.5Å; L619-T623 PolarHBondContact O-N 3.19Å; L619-T623 PolarHBondContact O-OG1 2.94Å; D620-T623 PolarHBondContact O-N 2.97Å; T623-Q625 VanDerWaalsContact C-N 3.3Å; T623-Q625 PolarHBondContact O-N 2.93Å; T623-L626 PolarHBondContact O-N 3.18Å; T623-L626 VanDerWaalsContact O-N 3.11Å; T623-N627 PolarHBondContact O-N 3.01Å; T623-L726 HydrophobicContact CG2-CD1 3.98Å; T623-L726 HydrophobicContact CG2-CD2 4.03Å; T623-L726 HydrophobicContact CG2-CG 4.39Å
624	E	96.3	Very high	95.3	Very high	92 Å²	92	48.9 Å²	48.9	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-62.5	-35.6	176.5	-83.6	-55.7	131.7	0	0	112.7	F614 D620 L626 N627 N630	F614-E624 HydrophobicContact CD1-CB 3.84Å; F614-E624 HydrophobicContact CE1-CB 4.05Å; D620-E624 WeakPolarHBondContact O-CB 3.44Å; D620-E624 PolarHBondContact O-N 2.84Å; E624-L626 VanDerWaalsContact C-N 3.27Å; E624-L626 PolarHBondContact O-N 2.86Å; E624-N627 WeakPolarHBondContact O-CB 3.34Å; E624-N627 PolarHBondContact O-N 3.05Å; E624-N627 PolarHBondContact OE1-ND2 3.39Å; E624-N627 PolarHBondContact OE2-ND2 3.08Å; E624-N630 PolarHBondContact O-ND2 2.91Å; E624-N630 PolarHBondContact OE2-ND2 3.37Å
625	Q	95.9	Very high	95.3	Very high	9 Å²	9	48.4 Å²	48.4	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-65.9	-29.2	175.2	-83.7	177.8	84.5	0	0	113.9	F614 C621 T623 N627 I631 N665 G666 L670	F614-Q625 HydrophobicContact CD1-CG 3.74Å; F614-Q625 HydrophobicContact CD2-CG 3.5Å; F614-Q625 HydrophobicContact CE1-CB 4.43Å; F614-Q625 HydrophobicContact CE1-CG 3.52Å; F614-Q625 HydrophobicContact CE2-CG 3.28Å; F614-Q625 HydrophobicContact CG-CG 3.73Å; F614-Q625 HydrophobicContact CZ-CB 4.36Å; F614-Q625 HydrophobicContact CZ-CG 3.28Å; C621-Q625 WeakPolarHBondContact O-CB 3.31Å; C621-Q625 WeakPolarHBondContact O-CG 3.33Å; C621-Q625 PolarHBondContact O-N 2.91Å; C621-Q625 VanDerWaalsContact O-N 3.16Å; C621-Q625 PolarHBondContact O-NE2 2.94Å; T623-Q625 VanDerWaalsContact C-N 3.3Å; T623-Q625 PolarHBondContact O-N 2.93Å; Q625-N627 VanDerWaalsContact C-N 3.33Å; Q625-I631 VanDerWaalsContact O-CG1 3.27Å; Q625-I631 WeakPolarHBondContact O-CG1 3.14Å; Q625-N665 PolarHBondContact NE2-O 3.42Å; Q625-G666 VanDerWaalsContact OE1-CA 3.23Å; Q625-L670 HydrophobicContact CB-CD2 3.79Å
626	L	95.9	Very high	95.4	Very high	9 Å²	9	45.5 Å²	45.5	5%	0.047	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.1	178.1	-63.2	170.3	0	0	0	113	Q622 T623 E624 K628 L670 L726 P727 Y734 V735	Q622-L626 HydrophobicContact CG-CD1 4.26Å; Q622-L626 WeakPolarHBondContact O-CD1 3.31Å; Q622-L626 VanDerWaalsContact O-CG 3.27Å; Q622-L626 WeakPolarHBondContact O-CG 3.41Å; Q622-L626 PolarHBondContact O-N 3Å; T623-L626 PolarHBondContact O-N 3.18Å; T623-L626 VanDerWaalsContact O-N 3.11Å; E624-L626 VanDerWaalsContact C-N 3.27Å; E624-L626 PolarHBondContact O-N 2.86Å; L626-K628 PolarHBondContact O-N 3.04Å; L626-L670 HydrophobicContact CD2-CD1 4.17Å; L626-L670 HydrophobicContact CD2-CD2 3.98Å; L626-L726 HydrophobicContact CB-CD2 3.97Å; L626-P727 HydrophobicContact CD1-CG 4.37Å; L626-Y734 HydrophobicContact CD1-CD1 3.85Å; L626-Y734 HydrophobicContact CD1-CE1 3.94Å; L626-V735 HydrophobicContact CD2-CG2 3.78Å
627	N	95.1	Very high	95.7	Very high	55 Å²	55	42.5 Å²	42.5	29%	0.294	22%	0.223	S	C	.	.	S	Bend	trans	-63.2	125.8	167.8	-77.1	-31	0	0	0	110.1	T623 E624 Q625 A629 N630 I631	T623-N627 PolarHBondContact O-N 3.01Å; E624-N627 WeakPolarHBondContact O-CB 3.34Å; E624-N627 PolarHBondContact O-N 3.05Å; E624-N627 PolarHBondContact OE1-ND2 3.39Å; E624-N627 PolarHBondContact OE2-ND2 3.08Å; Q625-N627 VanDerWaalsContact C-N 3.33Å; N627-A629 PolarHBondContact O-N 3.43Å; N627-N630 WeakPolarHBondContact O-CA 3.29Å; N627-N630 WeakPolarHBondContact O-CB 3.18Å; N627-N630 PolarHBondContact O-N 3.42Å; N627-I631 PolarHBondContact O-N 2.94Å; N627-I631 VanDerWaalsContact O-N 3.12Å
628	K	94.3	Very high	95.8	Very high	102 Å²	102	39.8 Å²	39.8	44%	0.443	20%	0.204	S	C	.	.	H	α-helix	trans	-51.9	-37.8	-172.9	-57.8	-167.4	-179.5	-131	0	113.6	L626 I632 N722 N723	L626-K628 PolarHBondContact O-N 3.04Å; K628-I632 WeakPolarHBondContact O-CB 3.19Å; K628-I632 WeakPolarHBondContact O-CD1 3.49Å; K628-I632 VanDerWaalsContact O-CG1 3.24Å; K628-I632 WeakPolarHBondContact O-CG1 3.47Å; K628-I632 PolarHBondContact O-N 2.88Å; K628-N722 VanDerWaalsContact CB-OD1 3.31Å; K628-N722 WeakPolarHBondContact CB-OD1 3.43Å; K628-N722 WeakPolarHBondContact CD-OD1 3.31Å; K628-N722 WeakPolarHBondContact CE-O 3.38Å; K628-N722 WeakPolarHBondContact CG-OD1 3.28Å; K628-N722 PolarHBondContact NZ-O 3.06Å; K628-N723 PolarHBondContact NZ-OD1 3.35Å
629	A	95.1	Very high	96	Very high	73 Å²	73	32.4 Å²	32.4	60%	0.603	17%	0.172	S	C	*	.	H	α-helix	trans	-63.2	-40.2	176.7	0	0	0	0	0	112.9	N627 I632 R633	N627-A629 PolarHBondContact O-N 3.43Å; A629-I632 PolarHBondContact O-N 3.47Å; A629-R633 WeakPolarHBondContact O-CB 3.08Å; A629-R633 PolarHBondContact O-N 2.95Å
630	N	96.6	Very high	95.9	Very high	34 Å²	34	29.9 Å²	29.9	18%	0.182	16%	0.158	C	C	.	.	H	α-helix	trans	-72.5	-42.9	179.5	-67	-21.6	0	0	0	110.8	I612 F614 E624 N627 I632 R633 E634	I612-N630 HydrophobicContact CD1-CB 3.92Å; F614-N630 HydrophobicContact CZ-CB 4.47Å; E624-N630 PolarHBondContact O-ND2 2.91Å; E624-N630 PolarHBondContact OE2-ND2 3.37Å; N627-N630 WeakPolarHBondContact O-CA 3.29Å; N627-N630 WeakPolarHBondContact O-CB 3.18Å; N627-N630 PolarHBondContact O-N 3.42Å; N630-I632 VanDerWaalsContact C-N 3.31Å; N630-I632 PolarHBondContact O-N 3.49Å; N630-R633 PolarHBondContact O-N 2.83Å; N630-E634 VanDerWaalsContact O-CG 3.28Å; N630-E634 WeakPolarHBondContact O-CG 3.45Å; N630-E634 PolarHBondContact O-N 3.34Å
631	I	96.6	Very high	96	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-54.6	-48.1	171.3	-59.9	179.4	0	0	0	110.8	Q625 N627 M635 I674 I721	Q625-I631 VanDerWaalsContact O-CG1 3.27Å; Q625-I631 WeakPolarHBondContact O-CG1 3.14Å; N627-I631 PolarHBondContact O-N 2.94Å; N627-I631 VanDerWaalsContact O-N 3.12Å; I631-M635 VanDerWaalsContact O-CB 3.25Å; I631-M635 WeakPolarHBondContact O-CB 3.48Å; I631-M635 PolarHBondContact O-N 2.92Å; I631-I674 HydrophobicContact CG2-CD1 4.46Å; I631-I721 WeakPolarHBondContact CD1-O 3.47Å; I631-I721 HydrophobicContact CG2-CD1 3.61Å; I631-I721 HydrophobicContact CG2-CG1 4.13Å
632	I	94.9	Very high	96.1	Very high	52 Å²	52	25.7 Å²	25.7	27%	0.267	14%	0.135	S	C	.	.	H	α-helix	trans	-65.8	-42.4	-179.8	-69.8	166.4	0	0	0	111.4	K628 A629 N630 M635 K636 F718	K628-I632 WeakPolarHBondContact O-CB 3.19Å; K628-I632 WeakPolarHBondContact O-CD1 3.49Å; K628-I632 VanDerWaalsContact O-CG1 3.24Å; K628-I632 WeakPolarHBondContact O-CG1 3.47Å; K628-I632 PolarHBondContact O-N 2.88Å; A629-I632 PolarHBondContact O-N 3.47Å; N630-I632 VanDerWaalsContact C-N 3.31Å; N630-I632 PolarHBondContact O-N 3.49Å; I632-M635 PolarHBondContact O-N 2.84Å; I632-K636 HydrophobicContact CG2-CD 4.39Å; I632-K636 HydrophobicContact CG2-CG 4.38Å; I632-K636 WeakPolarHBondContact O-CB 3.27Å; I632-K636 WeakPolarHBondContact O-CG 3.35Å; I632-K636 PolarHBondContact O-N 3.1Å; I632-F718 HydrophobicContact CD1-CZ 4.4Å; I632-F718 HydrophobicContact CG1-CE2 4.16Å; I632-F718 HydrophobicContact CG1-CZ 3.97Å
633	R	96.3	Very high	96.1	Very high	38 Å²	38	29 Å²	29	14%	0.143	15%	0.151	C	C	.	.	H	α-helix	trans	-57.4	-52.6	176.4	-178.3	-74.8	-159.1	-153.7	-8.3	111	Q556 D610 I612 A629 N630 K636 K637	Q556-R633 HydrophobicContact CG-CG 4.45Å; D610-R633 PolarHBondContact O-NH1 3.37Å; D610-R633 IonicContact OD2-CZ 3.45Å; D610-R633 IonicContact OD2-NH1 3.34Å; D610-R633 PolarHBondContact OD2-NH1 2.73Å; D610-R633 IonicContact OD2-NH2 3.66Å; D610-R633 PolarHBondContact OD2-NH2 3.17Å; I612-R633 HydrophobicContact CD1-CB 4.32Å; I612-R633 HydrophobicContact CD1-CG 4.08Å; I612-R633 HydrophobicContact CG1-CG 4.5Å; I612-R633 VanDerWaalsContact CG1-NE 3.29Å; A629-R633 WeakPolarHBondContact O-CB 3.08Å; A629-R633 PolarHBondContact O-N 2.95Å; N630-R633 PolarHBondContact O-N 2.83Å; R633-K636 PolarHBondContact O-N 2.73Å; R633-K637 VanDerWaalsContact O-CB 3.31Å; R633-K637 WeakPolarHBondContact O-CB 3.4Å; R633-K637 PolarHBondContact O-N 3.18Å
634	E	98	Very high	96	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.019	14%	0.143	C	C	.	.	H	α-helix	trans	-67.3	-38.4	-176.6	-62	-70.9	-121.7	0	0	111.9	I612 N630 A638 W659 K671 I674	I612-E634 HydrophobicContact CD1-CG 4.11Å; I612-E634 HydrophobicContact CG1-CG 4.35Å; I612-E634 PolarHBondContact N-OE1 3Å; I612-E634 PolarHBondContact N-OE2 2.71Å; N630-E634 VanDerWaalsContact O-CG 3.28Å; N630-E634 WeakPolarHBondContact O-CG 3.45Å; N630-E634 PolarHBondContact O-N 3.34Å; E634-A638 WeakPolarHBondContact O-CB 3.37Å; E634-A638 PolarHBondContact O-N 3.02Å; E634-W659 HydrophobicContact CB-CH2 4.23Å; E634-W659 HydrophobicContact CB-CZ3 4.28Å; E634-W659 WeakPolarHBondContact O-CH2 3.48Å; E634-K671 WeakPolarHBondContact OE1-CE 3.46Å; E634-K671 IonicContact OE1-NZ 2.66Å; E634-K671 PolarHBondContact OE1-NZ 3.25Å; E634-I674 HydrophobicContact CB-CD1 4.13Å; E634-I674 HydrophobicContact CB-CG2 4.2Å
635	M	96.2	Very high	95.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.8	-44.6	173.9	177.8	-77.4	-60.3	0	0	112.2	F483 W487 I631 I632 S639 I674 I677 F718	F483-M635 HydrophobicContact CZ-CE 4.45Å; F483-M635 HydrophobicContact CZ-SD 4.01Å; W487-M635 HydrophobicContact CH2-CE 3.78Å; W487-M635 HydrophobicContact CH2-SD 3.77Å; W487-M635 HydrophobicContact CZ2-CE 3.72Å; W487-M635 HydrophobicContact CZ2-SD 3.64Å; I631-M635 VanDerWaalsContact O-CB 3.25Å; I631-M635 WeakPolarHBondContact O-CB 3.48Å; I631-M635 PolarHBondContact O-N 2.92Å; I632-M635 PolarHBondContact O-N 2.84Å; M635-S639 VanDerWaalsContact O-CB 3.3Å; M635-S639 WeakPolarHBondContact O-CB 3.25Å; M635-S639 PolarHBondContact O-N 2.88Å; M635-S639 PolarHBondContact O-OG 3.09Å; M635-I674 HydrophobicContact CB-CG2 4.19Å; M635-I677 HydrophobicContact CG-CG2 3.85Å; M635-F718 HydrophobicContact CE-CE2 4.18Å
636	K	95.6	Very high	95.3	Very high	32 Å²	32	24.3 Å²	24.3	14%	0.139	14%	0.136	C	C	.	.	H	α-helix	trans	-66.5	-42.8	177.6	-71.1	-159	177.8	-163.1	0	111.8	F483 E485 L557 I632 R633 S639 I640	F483-K636 HydrophobicContact CD1-CD 4.05Å; F483-K636 HydrophobicContact CD1-CG 4.43Å; F483-K636 HydrophobicContact CD2-CD 4.07Å; F483-K636 HydrophobicContact CD2-CG 4.18Å; F483-K636 HydrophobicContact CE1-CD 4.18Å; F483-K636 HydrophobicContact CE1-CG 4.08Å; F483-K636 HydrophobicContact CE2-CB 4.11Å; F483-K636 HydrophobicContact CE2-CD 4.21Å; F483-K636 HydrophobicContact CE2-CG 3.82Å; F483-K636 HydrophobicContact CG-CD 4.02Å; F483-K636 HydrophobicContact CZ-CB 4.47Å; F483-K636 HydrophobicContact CZ-CD 4.28Å; F483-K636 HydrophobicContact CZ-CG 3.78Å; E485-K636 WeakPolarHBondContact OE1-CE 3.15Å; E485-K636 IonicContact OE1-NZ 2.7Å; E485-K636 PolarHBondContact OE1-NZ 3.27Å; L557-K636 HydrophobicContact CD2-CB 4.03Å; L557-K636 HydrophobicContact CD2-CD 4.14Å; I632-K636 HydrophobicContact CG2-CD 4.39Å; I632-K636 HydrophobicContact CG2-CG 4.38Å; I632-K636 WeakPolarHBondContact O-CB 3.27Å; I632-K636 WeakPolarHBondContact O-CG 3.35Å; I632-K636 PolarHBondContact O-N 3.1Å; R633-K636 PolarHBondContact O-N 2.73Å; K636-S639 PolarHBondContact O-N 2.99Å; K636-I640 WeakPolarHBondContact O-CB 3.48Å; K636-I640 WeakPolarHBondContact O-CD1 3.36Å; K636-I640 VanDerWaalsContact O-CG1 3.24Å; K636-I640 WeakPolarHBondContact O-CG1 3.36Å; K636-I640 PolarHBondContact O-N 2.93Å
637	K	97.8	Very high	94.8	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-54.9	-53.2	174.8	172.6	64.4	60.2	168.1	0	111.8	K555 Q556 E558 I609 D610 R633 I640 G641 W659	K555-K637 PolarHBondContact O-NZ 3.16Å; Q556-K637 WeakPolarHBondContact O-CE 3.26Å; E558-K637 PolarHBondContact O-NZ 3.24Å; I609-K637 HydrophobicContact CB-CD 3.98Å; I609-K637 HydrophobicContact CB-CG 4.08Å; I609-K637 HydrophobicContact CG2-CD 3.97Å; I609-K637 HydrophobicContact CG2-CG 4.3Å; D610-K637 WeakPolarHBondContact O-CG 3.4Å; D610-K637 WeakPolarHBondContact OD1-CE 3.43Å; D610-K637 IonicContact OD1-NZ 2.67Å; D610-K637 PolarHBondContact OD1-NZ 2.87Å; D610-K637 IonicContact OD2-NZ 3.39Å; D610-K637 PolarHBondContact OD2-NZ 3.03Å; R633-K637 VanDerWaalsContact O-CB 3.31Å; R633-K637 WeakPolarHBondContact O-CB 3.4Å; R633-K637 PolarHBondContact O-N 3.18Å; K637-I640 PolarHBondContact O-N 3.45Å; K637-G641 PolarHBondContact O-N 3.47Å; K637-W659 HydrophobicContact CB-CH2 4.39Å; K637-W659 HydrophobicContact CG-CH2 4.05Å; K637-W659 HydrophobicContact CG-CZ2 3.9Å
638	A	98.1	Very high	94.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-43.3	177.9	0	0	0	0	0	112.1	I609 E634 I640 G641 F642 W659 A678	I609-A638 HydrophobicContact CD1-CB 4.22Å; E634-A638 WeakPolarHBondContact O-CB 3.37Å; E634-A638 PolarHBondContact O-N 3.02Å; A638-I640 PolarHBondContact O-N 3.32Å; A638-G641 PolarHBondContact O-N 2.98Å; A638-F642 HydrophobicContact CB-CE2 4.29Å; A638-F642 HydrophobicContact CB-CZ 4.16Å; A638-F642 VanDerWaalsContact O-CD1 3.29Å; A638-F642 WeakPolarHBondContact O-CD1 3.49Å; A638-F642 WeakPolarHBondContact O-CG 3.35Å; A638-F642 PolarHBondContact O-N 2.95Å; A638-W659 HydrophobicContact CB-CH2 4.21Å; A638-W659 HydrophobicContact CB-CZ3 4.02Å; A638-A678 HydrophobicContact CB-CB 3.59Å
639	S	95.7	Very high	94.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-44.6	179.4	-58.3	0	0	0	0	112.2	M635 K636 G641 F642 M643 A678	M635-S639 VanDerWaalsContact O-CB 3.3Å; M635-S639 WeakPolarHBondContact O-CB 3.25Å; M635-S639 PolarHBondContact O-N 2.88Å; M635-S639 PolarHBondContact O-OG 3.09Å; K636-S639 PolarHBondContact O-N 2.99Å; S639-G641 VanDerWaalsContact C-N 3.3Å; S639-G641 PolarHBondContact O-N 3.24Å; S639-F642 PolarHBondContact O-N 3.34Å; S639-M643 VanDerWaalsContact O-CB 3.28Å; S639-M643 WeakPolarHBondContact O-CB 3.27Å; S639-M643 WeakPolarHBondContact O-CG 3.46Å; S639-M643 PolarHBondContact O-N 3.33Å; S639-A678 WeakPolarHBondContact OG-CA 3.39Å
640	I	95	Very high	94.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-63.2	-37.8	178.3	-70.1	165	0	0	0	111.1	T476 M478 F483 L557 A559 K636 K637 A638	T476-I640 HydrophobicContact CG2-CG2 4.13Å; M478-I640 HydrophobicContact CB-CD1 3.81Å; M478-I640 HydrophobicContact CB-CG1 3.86Å; M478-I640 HydrophobicContact CE-CG1 4.42Å; M478-I640 HydrophobicContact SD-CG1 4.12Å; F483-I640 HydrophobicContact CD2-CD1 4.42Å; F483-I640 HydrophobicContact CD2-CG1 4.27Å; F483-I640 HydrophobicContact CE2-CG1 4.38Å; L557-I640 HydrophobicContact CB-CD1 3.8Å; L557-I640 HydrophobicContact CD2-CD1 3.71Å; L557-I640 HydrophobicContact CG-CD1 4.35Å; A559-I640 HydrophobicContact CB-CG2 4.21Å; K636-I640 WeakPolarHBondContact O-CB 3.48Å; K636-I640 WeakPolarHBondContact O-CD1 3.36Å; K636-I640 VanDerWaalsContact O-CG1 3.24Å; K636-I640 WeakPolarHBondContact O-CG1 3.36Å; K636-I640 PolarHBondContact O-N 2.93Å; K637-I640 PolarHBondContact O-N 3.45Å; A638-I640 PolarHBondContact O-N 3.32Å
641	G	97.1	Very high	94.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-52.2	170.5	0	0	0	0	0	112.4	K637 A638 S639 M643 S644	K637-G641 PolarHBondContact O-N 3.47Å; A638-G641 PolarHBondContact O-N 2.98Å; S639-G641 VanDerWaalsContact C-N 3.3Å; S639-G641 PolarHBondContact O-N 3.24Å; G641-M643 VanDerWaalsContact C-N 3.32Å; G641-M643 PolarHBondContact O-N 3.41Å; G641-S644 WeakPolarHBondContact O-CB 3.14Å; G641-S644 PolarHBondContact O-N 3.46Å; G641-S644 VanDerWaalsContact O-N 3.14Å; G641-S644 PolarHBondContact O-OG 2.91Å; G641-S644 VanDerWaalsContact O-OG 3.12Å
642	F	97.3	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-71.5	-26.8	-172.1	-60.5	-4.1	0	0	0	113.1	V515 I609 A638 S639 S644 I654 Q675 A678 A679 A682 R684 L686	V515-F642 HydrophobicContact CG2-CD1 4.41Å; V515-F642 HydrophobicContact CG2-CE1 3.62Å; V515-F642 HydrophobicContact CG2-CZ 4.27Å; I609-F642 HydrophobicContact CD1-CE1 3.84Å; I609-F642 HydrophobicContact CD1-CZ 4.38Å; A638-F642 HydrophobicContact CB-CE2 4.29Å; A638-F642 HydrophobicContact CB-CZ 4.16Å; A638-F642 VanDerWaalsContact O-CD1 3.29Å; A638-F642 WeakPolarHBondContact O-CD1 3.49Å; A638-F642 WeakPolarHBondContact O-CG 3.35Å; A638-F642 PolarHBondContact O-N 2.95Å; S639-F642 PolarHBondContact O-N 3.34Å; F642-S644 VanDerWaalsContact C-N 3.3Å; F642-I654 HydrophobicContact CB-CD1 3.61Å; F642-I654 HydrophobicContact CB-CG1 3.93Å; F642-I654 HydrophobicContact CD1-CD1 3.93Å; F642-I654 HydrophobicContact CD1-CG1 4.19Å; F642-I654 HydrophobicContact CD1-CG2 3.73Å; F642-I654 HydrophobicContact CD2-CD1 4.49Å; F642-I654 HydrophobicContact CD2-CG1 4.02Å; F642-I654 HydrophobicContact CD2-CG2 4.15Å; F642-I654 HydrophobicContact CE1-CG2 3.59Å; F642-I654 HydrophobicContact CE2-CG2 4Å; F642-I654 HydrophobicContact CG-CD1 3.75Å; F642-I654 HydrophobicContact CG-CG1 3.78Å; F642-I654 HydrophobicContact CG-CG2 4.05Å; F642-I654 HydrophobicContact CZ-CG2 3.73Å; F642-Q675 HydrophobicContact CE2-CB 4.34Å; F642-Q675 HydrophobicContact CE2-CG 4.5Å; F642-Q675 HydrophobicContact CZ-CG 4.24Å; F642-A678 HydrophobicContact CD2-CB 3.7Å; F642-A678 HydrophobicContact CE2-CB 3.75Å; F642-A679 HydrophobicContact CD2-CB 4.22Å; F642-A679 HydrophobicContact CE2-CB 4.45Å; F642-A682 HydrophobicContact CB-CB 3.75Å; F642-R684 WeakPolarHBondContact O-CD 3.16Å; F642-R684 PolarHBondContact O-NH1 3.33Å; F642-L686 HydrophobicContact CE2-CD1 4.45Å
643	M	94.6	Very high	94.5	Very high	72 Å²	72	30 Å²	30	36%	0.355	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-5.4	173.6	-70.2	173.3	72.4	0	0	114.2	M478 S639 G641 Q645 G646 V681 A682	M478-M643 HydrophobicContact CE-CE 3.86Å; M478-M643 HydrophobicContact CE-SD 4.19Å; S639-M643 VanDerWaalsContact O-CB 3.28Å; S639-M643 WeakPolarHBondContact O-CB 3.27Å; S639-M643 WeakPolarHBondContact O-CG 3.46Å; S639-M643 PolarHBondContact O-N 3.33Å; G641-M643 VanDerWaalsContact C-N 3.32Å; G641-M643 PolarHBondContact O-N 3.41Å; M643-Q645 PolarHBondContact O-N 3.26Å; M643-G646 PolarHBondContact O-N 3.06Å; M643-V681 HydrophobicContact SD-CG1 3.93Å; M643-A682 HydrophobicContact CG-CB 3.83Å
644	S	93.1	Very high	94.6	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.014	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-34.5	-170.6	63.1	0	0	0	0	114.9	R474 E605 G641 F642	R474-S644 VanDerWaalsContact CZ-O 3.26Å; R474-S644 PolarHBondContact NH1-O 3.43Å; R474-S644 PolarHBondContact NH2-O 3.16Å; E605-S644 VanDerWaalsContact CD-OG 3.27Å; E605-S644 WeakPolarHBondContact OE1-CB 3.46Å; E605-S644 PolarHBondContact OE1-OG 2.94Å; E605-S644 PolarHBondContact OE2-OG 3.24Å; E605-S644 VanDerWaalsContact OE2-OG 3.13Å; G641-S644 WeakPolarHBondContact O-CB 3.14Å; G641-S644 PolarHBondContact O-N 3.46Å; G641-S644 VanDerWaalsContact O-N 3.14Å; G641-S644 PolarHBondContact O-OG 2.91Å; G641-S644 VanDerWaalsContact O-OG 3.12Å; F642-S644 VanDerWaalsContact C-N 3.3Å
645	Q	92.4	Very high	94.7	Very high	4 Å²	4	28 Å²	28	2%	0.019	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-15.7	-174.4	-59.3	-55.4	-42.7	0	0	114.4	L264 E605 M643 F649	L264-Q645 VanDerWaalsContact CD2-CD 3.48Å; L264-Q645 HydrophobicContact CD2-CG 3.88Å; E605-Q645 PolarHBondContact OE1-NE2 3.22Å; E605-Q645 VanDerWaalsContact OE2-CG 3.26Å; E605-Q645 WeakPolarHBondContact OE2-CG 3.21Å; E605-Q645 PolarHBondContact OE2-NE2 2.98Å; M643-Q645 PolarHBondContact O-N 3.26Å; Q645-F649 HydrophobicContact CB-CB 4.17Å; Q645-F649 HydrophobicContact CB-CD1 4.04Å; Q645-F649 HydrophobicContact CB-CD2 3.43Å; Q645-F649 VanDerWaalsContact CB-CD2 3.43Å; Q645-F649 HydrophobicContact CB-CE1 4.33Å; Q645-F649 HydrophobicContact CB-CE2 3.75Å; Q645-F649 HydrophobicContact CB-CG 3.59Å; Q645-F649 HydrophobicContact CB-CZ 4.19Å; Q645-F649 HydrophobicContact CG-CD1 4.45Å; Q645-F649 HydrophobicContact CG-CG 4.45Å; Q645-F649 WeakPolarHBondContact O-CD2 3.35Å
646	G	85.6	Confident	94.8	Very high	31 Å²	31	28 Å²	28	32%	0.32	16%	0.155	S	C	.	.			trans	83.9	175.5	-178.2	0	0	0	0	0	115.1	M643 K648 F649	M643-G646 PolarHBondContact O-N 3.06Å; G646-K648 PolarHBondContact O-N 2.9Å; G646-F649 PolarHBondContact O-N 3.34Å
647	P	86.4	Confident	94.9	Very high	120 Å²	120	26.5 Å²	26.5	78%	0.779	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	4.9	-159.7	29.7	-37.9	0	0	0	116
648	K	91.3	Very high	94.9	Very high	157 Å²	157	27.1 Å²	27.1	68%	0.683	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-8.9	173.1	-69.6	-159	171.3	-157.4	0	113.7	L262 G646 T650	L262-K648 HydrophobicContact CD2-CB 3.74Å; L262-K648 WeakPolarHBondContact CD2-O 3.47Å; G646-K648 PolarHBondContact O-N 2.9Å; K648-T650 VanDerWaalsContact C-N 3.28Å; K648-T650 PolarHBondContact O-N 3.13Å
649	F	94.7	Very high	94.9	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.031	15%	0.15	C	C	.	.			trans	-92.3	21.9	-173.5	-74.4	-96.7	0	0	0	113.4	F257 L262 L264 Q645 G646 N651 I652 R684	F257-F649 AromaticContact CE1-CE1 3.98Å; F257-F649 HydrophobicContact CE1-CE1 3.98Å; F257-F649 AromaticContact CZ-CE1 3.99Å; F257-F649 HydrophobicContact CZ-CE1 3.99Å; L262-F649 HydrophobicContact CB-CE1 4.01Å; L262-F649 HydrophobicContact CB-CZ 3.96Å; L262-F649 HydrophobicContact CD1-CD1 4.13Å; L262-F649 HydrophobicContact CD1-CE1 4.14Å; L264-F649 HydrophobicContact CD2-CD1 4.34Å; L264-F649 HydrophobicContact CD2-CE1 3.52Å; L264-F649 HydrophobicContact CD2-CZ 3.91Å; L264-F649 HydrophobicContact CG-CE1 4.4Å; Q645-F649 HydrophobicContact CB-CB 4.17Å; Q645-F649 HydrophobicContact CB-CD1 4.04Å; Q645-F649 HydrophobicContact CB-CD2 3.43Å; Q645-F649 VanDerWaalsContact CB-CD2 3.43Å; Q645-F649 HydrophobicContact CB-CE1 4.33Å; Q645-F649 HydrophobicContact CB-CE2 3.75Å; Q645-F649 HydrophobicContact CB-CG 3.59Å; Q645-F649 HydrophobicContact CB-CZ 4.19Å; Q645-F649 HydrophobicContact CG-CD1 4.45Å; Q645-F649 HydrophobicContact CG-CG 4.45Å; Q645-F649 WeakPolarHBondContact O-CD2 3.35Å; G646-F649 PolarHBondContact O-N 3.34Å; F649-N651 PolarHBondContact O-N 3.11Å; F649-N651 VanDerWaalsContact O-N 3.14Å; F649-I652 HydrophobicContact CB-CB 4.36Å; F649-I652 HydrophobicContact CD1-CB 3.99Å; F649-I652 HydrophobicContact CD1-CG1 3.85Å; F649-I652 HydrophobicContact CD1-CG2 4.23Å; F649-I652 PolarHBondContact O-N 3.07Å; F649-R684 PolarHBondContact O-NE 2.98Å
650	T	92.8	Very high	95	Very high	45 Å²	45	27.5 Å²	27.5	28%	0.276	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.6	-176.9	61.3	0	0	0	0	113	K648 D683 P685	K648-T650 VanDerWaalsContact C-N 3.28Å; K648-T650 PolarHBondContact O-N 3.13Å; T650-D683 VanDerWaalsContact CA-O 3.26Å; T650-D683 WeakPolarHBondContact CA-O 3.31Å; T650-D683 HydrophobicContact CG2-CB 4.22Å; T650-P685 WeakPolarHBondContact O-CD 3.4Å
651	N	93.8	Very high	95	Very high	115 Å²	115	28.3 Å²	28.3	62%	0.615	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	10.1	-176.8	-58	3.8	0	0	0	112.6	A256 F649	A256-N651 HydrophobicContact CB-CB 4.16Å; F649-N651 PolarHBondContact O-N 3.11Å; F649-N651 VanDerWaalsContact O-N 3.14Å
652	I	96.8	Very high	94.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-112.8	115	-179.5	-57.3	-54.6	0	0	0	108.8	A256 F257 L262 F649 R684	A256-I652 HydrophobicContact CB-CD1 3.61Å; F257-I652 HydrophobicContact CD2-CD1 3.45Å; F257-I652 VanDerWaalsContact CD2-CD1 3.45Å; F257-I652 HydrophobicContact CD2-CG1 4.2Å; F257-I652 HydrophobicContact CE2-CD1 3.59Å; F257-I652 HydrophobicContact CE2-CG1 3.93Å; F257-I652 HydrophobicContact CE2-CG2 3.82Å; F257-I652 HydrophobicContact CG-CD1 4.35Å; F257-I652 HydrophobicContact CZ-CG2 4.31Å; L262-I652 HydrophobicContact CD1-CD1 3.92Å; L262-I652 HydrophobicContact CD1-CG1 3.49Å; L262-I652 VanDerWaalsContact CD1-CG1 3.49Å; F649-I652 HydrophobicContact CB-CB 4.36Å; F649-I652 HydrophobicContact CD1-CB 3.99Å; F649-I652 HydrophobicContact CD1-CG1 3.85Å; F649-I652 HydrophobicContact CD1-CG2 4.23Å; F649-I652 PolarHBondContact O-N 3.07Å; I652-R684 VanDerWaalsContact O-CZ 3.31Å; I652-R684 PolarHBondContact O-NE 3.46Å; I652-R684 PolarHBondContact O-NH2 3.05Å
653	P	97	Very high	94.4	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	19%	0.188	C	C	.	.			trans	-71.7	157.9	-168.3	28.7	-36.3	0	0	0	114.1	H253 C512 T513 R684 P685 H687	H253-P653 WeakPolarHBondContact NE2-CD 3.42Å; H253-P653 VanDerWaalsContact NE2-CG 3.3Å; H253-P653 WeakPolarHBondContact NE2-CG 3.25Å; C512-P653 HydrophobicContact CB-CG 3.98Å; T513-P653 PolarHBondContact N-O 3Å; T513-P653 VanDerWaalsContact N-O 3.12Å; P653-R684 PolarHBondContact O-NH2 3.01Å; P653-P685 WeakPolarHBondContact CA-O 3.43Å; P653-P685 HydrophobicContact CB-CB 4.19Å; P653-H687 HydrophobicContact CB-CB 4.28Å; P653-H687 WeakPolarHBondContact CB-CD2 3.45Å
654	I	98.6	Very high	94.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.1	156.8	-55.5	-60.4	0	0	0	107.6	T513 V515 F642 R684 P685 L686 H687	T513-I654 HydrophobicContact CG2-CD1 3.83Å; T513-I654 CarbonylContact O-C 3.58Å; V515-I654 HydrophobicContact CG2-CG2 3.55Å; F642-I654 HydrophobicContact CB-CD1 3.61Å; F642-I654 HydrophobicContact CB-CG1 3.93Å; F642-I654 HydrophobicContact CD1-CD1 3.93Å; F642-I654 HydrophobicContact CD1-CG1 4.19Å; F642-I654 HydrophobicContact CD1-CG2 3.73Å; F642-I654 HydrophobicContact CD2-CD1 4.49Å; F642-I654 HydrophobicContact CD2-CG1 4.02Å; F642-I654 HydrophobicContact CD2-CG2 4.15Å; F642-I654 HydrophobicContact CE1-CG2 3.59Å; F642-I654 HydrophobicContact CE2-CG2 4Å; F642-I654 HydrophobicContact CG-CD1 3.75Å; F642-I654 HydrophobicContact CG-CG1 3.78Å; F642-I654 HydrophobicContact CG-CG2 4.05Å; F642-I654 HydrophobicContact CZ-CG2 3.73Å; I654-R684 VanDerWaalsContact CD1-CZ 3.45Å; I654-R684 VanDerWaalsContact CD1-NH1 3.34Å; I654-R684 HydrophobicContact CG1-CB 4.2Å; I654-P685 PolarHBondContact N-O 2.73Å; I654-L686 HydrophobicContact CB-CD1 3.93Å; I654-L686 HydrophobicContact CG2-CD1 3.88Å; I654-H687 PolarHBondContact O-N 3.12Å
655	V	98.4	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.8	174.1	-175.5	0	0	0	0	108.6	I506 T509 C512 T513 V515 H687	I506-V655 HydrophobicContact CB-CG1 4.34Å; I506-V655 HydrophobicContact CG1-CG1 4.31Å; I506-V655 HydrophobicContact CG2-CB 4.48Å; I506-V655 HydrophobicContact CG2-CG1 4.08Å; T509-V655 HydrophobicContact CG2-CG1 3.78Å; T509-V655 HydrophobicContact CG2-CG2 4.08Å; C512-V655 HydrophobicContact CB-CG2 3.93Å; T513-V655 PolarHBondContact O-N 3.24Å; V515-V655 WeakPolarHBondContact CG2-O 3.34Å; V515-V655 PolarHBondContact N-O 3.04Å; V655-H687 WeakPolarHBondContact CA-O 3.35Å; V655-H687 HydrophobicContact CG2-CB 4.15Å
656	T	98.7	Very high	94.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	-171.2	-173.4	-164.2	0	0	0	0	112	Q675 L686 H687 F688 C689	T656-Q675 VanDerWaalsContact CG2-OE1 3.24Å; T656-Q675 PolarHBondContact OG1-OE1 3.21Å; T656-L686 HydrophobicContact CG2-CD1 3.51Å; T656-L686 HydrophobicContact CG2-CG 4.21Å; T656-H687 PolarHBondContact N-O 2.89Å; T656-F688 HydrophobicContact CG2-CD2 3.7Å; T656-F688 HydrophobicContact CG2-CE2 3.98Å; T656-C689 WeakPolarHBondContact O-CB 3.49Å; T656-C689 PolarHBondContact O-N 3.02Å
657	G	98.1	Very high	95.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.181	C	C	.	.			trans	-163.6	-138.3	172.6	0	0	0	0	0	111.4	W659 Q675 F688 C689	G657-W659 PolarHBondContact O-N 2.65Å; G657-Q675 PolarHBondContact O-NE2 3.25Å; G657-F688 WeakPolarHBondContact O-CE2 3.24Å; G657-F688 WeakPolarHBondContact O-CZ 3.39Å; G657-C689 WeakPolarHBondContact CA-O 3.34Å
658	W	97.6	Very high	95.8	Very high	15 Å²	15	27.2 Å²	27.2	6%	0.057	15%	0.154	C	C	.	.	S	Bend	trans	-72.5	55.4	-178.3	-53.5	129.7	0	0	0	114.7	G660 C661 K668 F672 F688 S690 F691 L696	W658-G660 PolarHBondContact O-N 3.09Å; W658-C661 HydrophobicContact CB-CB 3.92Å; W658-C661 WeakPolarHBondContact O-CB 3.34Å; W658-C661 PolarHBondContact O-N 3.38Å; W658-K668 HydrophobicContact CB-CG 4.47Å; W658-K668 HydrophobicContact CD2-CB 4.44Å; W658-K668 HydrophobicContact CD2-CD 3.87Å; W658-K668 HydrophobicContact CD2-CG 3.99Å; W658-K668 HydrophobicContact CE3-CB 3.75Å; W658-K668 HydrophobicContact CE3-CD 4.04Å; W658-K668 HydrophobicContact CE3-CG 3.73Å; W658-K668 HydrophobicContact CG-CD 4.13Å; W658-K668 HydrophobicContact CG-CG 4.29Å; W658-K668 HydrophobicContact CZ3-CB 3.93Å; W658-K668 HydrophobicContact CZ3-CG 4.39Å; W658-F672 HydrophobicContact CZ3-CB 4.36Å; W658-F688 AromaticContact CD2-CE1 3.84Å; W658-F688 HydrophobicContact CD2-CE1 3.84Å; W658-F688 HydrophobicContact CD2-CZ 4.13Å; W658-F688 AromaticContact CE2-CE1 3.97Å; W658-F688 AromaticContact CE3-CE1 3.6Å; W658-F688 HydrophobicContact CE3-CE1 3.6Å; W658-F688 AromaticContact CE3-CZ 3.54Å; W658-F688 HydrophobicContact CE3-CZ 3.54Å; W658-F688 HydrophobicContact CH2-CD1 4.47Å; W658-F688 AromaticContact CH2-CE1 3.57Å; W658-F688 HydrophobicContact CH2-CE1 3.57Å; W658-F688 HydrophobicContact CH2-CZ 4.13Å; W658-F688 AromaticContact CZ2-CE1 3.84Å; W658-F688 HydrophobicContact CZ2-CE1 3.84Å; W658-F688 AromaticContact CZ3-CE1 3.48Å; W658-F688 HydrophobicContact CZ3-CE1 3.48Å; W658-F688 VanDerWaalsContact CZ3-CE1 3.48Å; W658-F688 AromaticContact CZ3-CZ 3.55Å; W658-F688 HydrophobicContact CZ3-CZ 3.55Å; W658-S690 PolarHBondContact NE1-O 3.37Å; W658-F691 AromaticContact CD1-CD2 3.78Å; W658-F691 HydrophobicContact CG-CD2 4.5Å; W658-L696 HydrophobicContact CH2-CD2 3.45Å; W658-L696 VanDerWaalsContact CH2-CD2 3.45Å; W658-L696 HydrophobicContact CH2-CG 3.56Å; W658-L696 HydrophobicContact CZ2-CB 4.4Å; W658-L696 HydrophobicContact CZ2-CD2 3.43Å; W658-L696 VanDerWaalsContact CZ2-CD2 3.43Å; W658-L696 HydrophobicContact CZ2-CG 3.75Å; W658-L696 HydrophobicContact CZ3-CD2 4Å; W658-L696 HydrophobicContact CZ3-CG 4.4Å
659	W	98.4	Very high	96.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	118.9	179.5	173.3	56.1	0	0	0	112.9	F517 I609 D610 A611 E634 K637 A638 G657 C661 K671 I674 Q675	F517-W659 HydrophobicContact CD1-CB 3.79Å; F517-W659 AromaticContact CD1-CD1 3.62Å; F517-W659 HydrophobicContact CD1-CG 4.09Å; F517-W659 HydrophobicContact CE1-CB 3.76Å; F517-W659 HydrophobicContact CE1-CG 4.48Å; F517-W659 HydrophobicContact CG-CB 4.44Å; F517-W659 HydrophobicContact CZ-CB 4.38Å; I609-W659 HydrophobicContact CB-CZ2 4.29Å; I609-W659 HydrophobicContact CD1-CD2 4.22Å; I609-W659 HydrophobicContact CD1-CZ2 4.01Å; I609-W659 HydrophobicContact CG1-CZ2 4.28Å; I609-W659 PolarHBondContact O-NE1 3.39Å; D610-W659 WeakPolarHBondContact O-CZ2 3.45Å; A611-W659 HydrophobicContact CB-CZ2 4.24Å; E634-W659 HydrophobicContact CB-CH2 4.23Å; E634-W659 HydrophobicContact CB-CZ3 4.28Å; E634-W659 WeakPolarHBondContact O-CH2 3.48Å; K637-W659 HydrophobicContact CB-CH2 4.39Å; K637-W659 HydrophobicContact CG-CH2 4.05Å; K637-W659 HydrophobicContact CG-CZ2 3.9Å; A638-W659 HydrophobicContact CB-CH2 4.21Å; A638-W659 HydrophobicContact CB-CZ3 4.02Å; G657-W659 PolarHBondContact O-N 2.65Å; W659-C661 PolarHBondContact O-N 3.34Å; W659-C661 PolarHBondContact O-SG 3.29Å; W659-K671 HydrophobicContact CE3-CD 3.85Å; W659-K671 HydrophobicContact CZ3-CD 4.18Å; W659-K671 VanDerWaalsContact O-CD 3.3Å; W659-K671 WeakPolarHBondContact O-CD 3.34Å; W659-I674 HydrophobicContact CZ3-CG2 4.34Å; W659-Q675 HydrophobicContact CE3-CG 4.11Å
660	G	96.8	Very high	96.2	Very high	8 Å²	8	19.5 Å²	19.5	8%	0.082	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	2.2	-179.1	0	0	0	0	0	115.5	W658 F664 G666	W658-G660 PolarHBondContact O-N 3.09Å; G660-F664 CarbonylContact O-C 3.28Å; G660-F664 WeakPolarHBondContact O-CB 3.49Å; G660-G666 WeakPolarHBondContact O-CA 3.33Å; G660-G666 PolarHBondContact O-N 2.93Å
661	C	96.2	Very high	96.5	Very high	18 Å²	18	17.5 Å²	17.5	12%	0.122	11%	0.107	C	C	.	.	S	Bend	trans	-86.9	-8.2	-176.6	-49.1	0	0	0	0	114.5	W658 W659 G666 K668	W658-C661 HydrophobicContact CB-CB 3.92Å; W658-C661 WeakPolarHBondContact O-CB 3.34Å; W658-C661 PolarHBondContact O-N 3.38Å; W659-C661 PolarHBondContact O-N 3.34Å; W659-C661 PolarHBondContact O-SG 3.29Å; C661-G666 WeakPolarHBondContact CA-O 3.37Å; C661-G666 WeakPolarHBondContact CB-O 3.37Å; C661-K668 HydrophobicContact CB-CG 3.57Å
662	G	91.6	Very high	96.7	Very high	45 Å²	45	12 Å²	12	46%	0.464	8%	0.078	S	C	.	.	S	Bend	trans	-84.8	-112.3	175.1	0	0	0	0	0	111.7	Y22 F664 N665	Y22-G662 PolarHBondContact OH-O 3.03Å; G662-F664 PolarHBondContact O-N 3.44Å; G662-N665 PolarHBondContact O-N 2.8Å; G662-N665 VanDerWaalsContact O-N 3.1Å
663	A	88.9	Confident	96.8	Very high	15 Å²	15	12 Å²	12	12%	0.124	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-14.5	-179.3	0	0	0	0	0	115.3	Y19 Y22 L613	Y19-A663 HydrophobicContact CD2-CB 3.85Å; Y19-A663 HydrophobicContact CE2-CB 3.84Å; Y22-A663 HydrophobicContact CD1-CB 3.84Å; Y22-A663 HydrophobicContact CE1-CB 4.24Å; Y22-A663 HydrophobicContact CG-CB 4.47Å; L613-A663 WeakPolarHBondContact CD1-O 3.18Å
664	F	94.6	Very high	96.9	Very high	22 Å²	22	12.1 Å²	12.1	10%	0.096	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	1.3	-178.9	-76.1	-118.5	0	0	0	113.3	Y19 A611 L613 F614 G660 G662 G666	Y19-F664 HydrophobicContact CD2-CD2 4.5Å; Y19-F664 AromaticContact CD2-CE2 3.86Å; Y19-F664 HydrophobicContact CD2-CE2 3.86Å; Y19-F664 HydrophobicContact CE2-CD2 4.48Å; Y19-F664 AromaticContact CE2-CE2 3.8Å; Y19-F664 HydrophobicContact CE2-CE2 3.8Å; A611-F664 HydrophobicContact CB-CB 4.39Å; A611-F664 HydrophobicContact CB-CD1 3.85Å; A611-F664 HydrophobicContact CB-CE1 4.48Å; A611-F664 HydrophobicContact CB-CG 4.32Å; A611-F664 WeakPolarHBondContact O-CD1 3.13Å; A611-F664 WeakPolarHBondContact O-CE1 3.44Å; L613-F664 HydrophobicContact CB-CD1 3.76Å; L613-F664 HydrophobicContact CB-CE1 4.09Å; L613-F664 HydrophobicContact CB-CG 4.36Å; F614-F664 PolarHBondContact N-O 2.87Å; G660-F664 CarbonylContact O-C 3.28Å; G660-F664 WeakPolarHBondContact O-CB 3.49Å; G662-F664 PolarHBondContact O-N 3.44Å; F664-G666 VanDerWaalsContact C-N 3.27Å; F664-G666 PolarHBondContact O-N 3.15Å
665	N	95.8	Very high	96.9	Very high	55 Å²	55	12.1 Å²	12.1	29%	0.294	8%	0.078	S	C	.	.			trans	58.5	27.3	176.2	-59.3	-61.6	0	0	0	116	Y22 F614 Q625 G662	Y22-N665 WeakPolarHBondContact CE2-OD1 3.49Å; Y22-N665 PolarHBondContact OH-OD1 3.4Å; F614-N665 HydrophobicContact CB-CB 4.35Å; F614-N665 WeakPolarHBondContact O-CB 3.4Å; F614-N665 PolarHBondContact O-ND2 2.67Å; Q625-N665 PolarHBondContact NE2-O 3.42Å; G662-N665 PolarHBondContact O-N 2.8Å; G662-N665 VanDerWaalsContact O-N 3.1Å
666	G	96.9	Very high	96.9	Very high	10 Å²	10	12.1 Å²	12.1	10%	0.103	8%	0.078	C	C	.	.			trans	-63.8	136.9	176.7	0	0	0	0	0	115	Q625 G660 C661 F664 K668	Q625-G666 VanDerWaalsContact OE1-CA 3.23Å; G660-G666 WeakPolarHBondContact O-CA 3.33Å; G660-G666 PolarHBondContact O-N 2.93Å; C661-G666 WeakPolarHBondContact CA-O 3.37Å; C661-G666 WeakPolarHBondContact CB-O 3.37Å; F664-G666 VanDerWaalsContact C-N 3.27Å; F664-G666 PolarHBondContact O-N 3.15Å; G666-K668 PolarHBondContact O-N 3.38Å
667	D	96.9	Very high	96.8	Very high	14 Å²	14	12.1 Å²	12.1	8%	0.075	8%	0.078	C	C	.	.			trans	-70.4	113.6	171	-179.8	-73.2	0	0	0	109.5	Q622 P669 L670 K671	Q622-D667 PolarHBondContact NE2-OD2 3.42Å; D667-P669 WeakPolarHBondContact OD1-CD 3.34Å; D667-L670 HydrophobicContact CB-CB 4.01Å; D667-L670 PolarHBondContact O-N 2.8Å; D667-L670 VanDerWaalsContact OD1-CB 3.32Å; D667-L670 WeakPolarHBondContact OD1-CB 3.39Å; D667-L670 PolarHBondContact OD1-N 2.96Å; D667-K671 VanDerWaalsContact O-CB 3.29Å; D667-K671 WeakPolarHBondContact O-CB 3.34Å; D667-K671 WeakPolarHBondContact O-CG 3.29Å; D667-K671 PolarHBondContact O-N 3.39Å
668	K	97.5	Very high	96.8	Very high	45 Å²	45	12.1 Å²	12.1	20%	0.196	8%	0.078	C	C	.	.	H	α-helix	trans	-61	-47.5	-173.4	-73.7	175.9	177.2	170.7	0	113.1	W658 C661 G666 L670 K671 F672 E693 L696	W658-K668 HydrophobicContact CB-CG 4.47Å; W658-K668 HydrophobicContact CD2-CB 4.44Å; W658-K668 HydrophobicContact CD2-CD 3.87Å; W658-K668 HydrophobicContact CD2-CG 3.99Å; W658-K668 HydrophobicContact CE3-CB 3.75Å; W658-K668 HydrophobicContact CE3-CD 4.04Å; W658-K668 HydrophobicContact CE3-CG 3.73Å; W658-K668 HydrophobicContact CG-CD 4.13Å; W658-K668 HydrophobicContact CG-CG 4.29Å; W658-K668 HydrophobicContact CZ3-CB 3.93Å; W658-K668 HydrophobicContact CZ3-CG 4.39Å; C661-K668 HydrophobicContact CB-CG 3.57Å; G666-K668 PolarHBondContact O-N 3.38Å; K668-L670 PolarHBondContact O-N 2.86Å; K668-K671 PolarHBondContact O-N 3.5Å; K668-F672 WeakPolarHBondContact O-CB 3.44Å; K668-F672 PolarHBondContact O-N 3.32Å; K668-E693 IonicContact NZ-OE1 3.75Å; K668-E693 PolarHBondContact NZ-OE1 3.31Å; K668-E693 IonicContact NZ-OE2 3.45Å; K668-E693 PolarHBondContact NZ-OE2 2.89Å; K668-L696 HydrophobicContact CB-CD2 4.01Å; K668-L696 HydrophobicContact CD-CD2 3.53Å; K668-L696 HydrophobicContact CG-CD2 4.41Å
669	P	97.8	Very high	96.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-56.2	-44.8	173.2	-34.4	44.1	0	0	0	114.4	D667 I673 E732 F733 F736	D667-P669 WeakPolarHBondContact OD1-CD 3.34Å; P669-I673 WeakPolarHBondContact O-CG1 3.44Å; P669-I673 PolarHBondContact O-N 3.4Å; P669-E732 HydrophobicContact CG-CG 4.48Å; P669-E732 WeakPolarHBondContact CG-O 3.26Å; P669-F733 HydrophobicContact CG-CD1 4.07Å; P669-F733 HydrophobicContact CG-CE1 4.22Å; P669-F736 HydrophobicContact CB-CD1 3.72Å; P669-F736 HydrophobicContact CB-CD2 4.32Å; P669-F736 HydrophobicContact CB-CE1 3.57Å; P669-F736 HydrophobicContact CB-CE2 4.19Å; P669-F736 HydrophobicContact CB-CG 4.1Å; P669-F736 HydrophobicContact CB-CZ 3.81Å; P669-F736 HydrophobicContact CG-CE2 4.31Å; P669-F736 HydrophobicContact CG-CZ 4.31Å
670	L	98	Very high	96.6	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-65.2	-49.8	176.6	-176.7	63.1	0	0	0	111.8	Q625 L626 D667 K668 F672 I673 I674 I721 V735	Q625-L670 HydrophobicContact CB-CD2 3.79Å; L626-L670 HydrophobicContact CD2-CD1 4.17Å; L626-L670 HydrophobicContact CD2-CD2 3.98Å; D667-L670 HydrophobicContact CB-CB 4.01Å; D667-L670 PolarHBondContact O-N 2.8Å; D667-L670 VanDerWaalsContact OD1-CB 3.32Å; D667-L670 WeakPolarHBondContact OD1-CB 3.39Å; D667-L670 PolarHBondContact OD1-N 2.96Å; K668-L670 PolarHBondContact O-N 2.86Å; L670-F672 VanDerWaalsContact C-N 3.25Å; L670-F672 PolarHBondContact O-N 2.9Å; L670-I673 PolarHBondContact O-N 3.06Å; L670-I673 VanDerWaalsContact O-N 3.12Å; L670-I674 HydrophobicContact CD1-CD1 4.09Å; L670-I674 HydrophobicContact CD1-CG1 4.33Å; L670-I674 HydrophobicContact CD2-CD1 4.33Å; L670-I674 HydrophobicContact CG-CD1 3.78Å; L670-I674 HydrophobicContact CG-CG1 4.38Å; L670-I674 WeakPolarHBondContact O-CG1 3.41Å; L670-I674 PolarHBondContact O-N 3.42Å; L670-I721 HydrophobicContact CD1-CB 4.49Å; L670-V735 HydrophobicContact CB-CG2 4.05Å; L670-V735 HydrophobicContact CD1-CG1 4.34Å; L670-V735 HydrophobicContact CD1-CG2 4.14Å
671	K	98.4	Very high	96.4	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.009	8%	0.077	C	C	.	.	H	α-helix	trans	-62.6	-30.3	179.7	-79	-74.6	-168.9	159.8	0	112.9	E634 W659 D667 K668 Q675	E634-K671 WeakPolarHBondContact OE1-CE 3.46Å; E634-K671 IonicContact OE1-NZ 2.66Å; E634-K671 PolarHBondContact OE1-NZ 3.25Å; W659-K671 HydrophobicContact CE3-CD 3.85Å; W659-K671 HydrophobicContact CZ3-CD 4.18Å; W659-K671 VanDerWaalsContact O-CD 3.3Å; W659-K671 WeakPolarHBondContact O-CD 3.34Å; D667-K671 VanDerWaalsContact O-CB 3.29Å; D667-K671 WeakPolarHBondContact O-CB 3.34Å; D667-K671 WeakPolarHBondContact O-CG 3.29Å; D667-K671 PolarHBondContact O-N 3.39Å; K668-K671 PolarHBondContact O-N 3.5Å; K671-Q675 VanDerWaalsContact O-CG 3.31Å; K671-Q675 WeakPolarHBondContact O-CG 3.45Å; K671-Q675 PolarHBondContact O-N 3.35Å; K671-Q675 PolarHBondContact O-NE2 3.3Å; K671-Q675 VanDerWaalsContact O-NE2 3.13Å
672	F	98.7	Very high	96.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65	-53.1	169.4	171.8	-113.2	0	0	0	111.4	V498 F500 W658 K668 L670 I674 Q675 V676 F688 C700 I704 F736	V498-F672 HydrophobicContact CG1-CE2 4.03Å; V498-F672 HydrophobicContact CG1-CZ 4.14Å; F500-F672 AromaticContact CE2-CE2 3.62Å; F500-F672 HydrophobicContact CE2-CE2 3.62Å; F500-F672 AromaticContact CE2-CZ 3.73Å; F500-F672 HydrophobicContact CE2-CZ 3.73Å; F500-F672 AromaticContact CZ-CD2 3.91Å; F500-F672 HydrophobicContact CZ-CD2 3.91Å; F500-F672 AromaticContact CZ-CE2 3.36Å; F500-F672 HydrophobicContact CZ-CE2 3.36Å; F500-F672 AromaticContact CZ-CZ 3.77Å; F500-F672 HydrophobicContact CZ-CZ 3.77Å; W658-F672 HydrophobicContact CZ3-CB 4.36Å; K668-F672 WeakPolarHBondContact O-CB 3.44Å; K668-F672 PolarHBondContact O-N 3.32Å; L670-F672 VanDerWaalsContact C-N 3.25Å; L670-F672 PolarHBondContact O-N 2.9Å; F672-I674 VanDerWaalsContact C-N 3.33Å; F672-I674 PolarHBondContact O-N 2.95Å; F672-Q675 PolarHBondContact O-N 3.44Å; F672-Q675 VanDerWaalsContact O-N 3.12Å; F672-V676 HydrophobicContact CD2-CG2 4.13Å; F672-V676 HydrophobicContact CE1-CG2 4.09Å; F672-V676 HydrophobicContact CE2-CG2 3.63Å; F672-V676 HydrophobicContact CZ-CG2 3.61Å; F672-V676 WeakPolarHBondContact O-CG2 3.44Å; F672-V676 PolarHBondContact O-N 3.43Å; F672-F688 AromaticContact CD2-CD2 3.85Å; F672-F688 HydrophobicContact CD2-CD2 3.85Å; F672-F688 AromaticContact CD2-CE2 3.67Å; F672-F688 HydrophobicContact CD2-CE2 3.67Å; F672-F688 HydrophobicContact CD2-CG 4.41Å; F672-F688 HydrophobicContact CD2-CZ 4.08Å; F672-F688 HydrophobicContact CE2-CD2 4.15Å; F672-F688 HydrophobicContact CE2-CE2 4.43Å; F672-C700 HydrophobicContact CD1-CB 4.04Å; F672-C700 HydrophobicContact CE1-CB 3.69Å; F672-C700 HydrophobicContact CE2-CB 4.36Å; F672-C700 HydrophobicContact CG-CB 4.49Å; F672-C700 HydrophobicContact CZ-CB 3.88Å; F672-I704 HydrophobicContact CE1-CD1 4.05Å; F672-I704 HydrophobicContact CE1-CG1 3.89Å; F672-I704 HydrophobicContact CZ-CD1 3.89Å; F672-I704 HydrophobicContact CZ-CG1 3.68Å; F672-F736 HydrophobicContact CD1-CE1 4.13Å; F672-F736 AromaticContact CD1-CZ 3.89Å; F672-F736 HydrophobicContact CD1-CZ 3.89Å
673	I	98.6	Very high	96.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64	-37.4	-178.6	-61.5	-64.8	0	0	0	112	P669 L670 Q675 V676 I677 M707 L717 I721 F736 I739	P669-I673 WeakPolarHBondContact O-CG1 3.44Å; P669-I673 PolarHBondContact O-N 3.4Å; L670-I673 PolarHBondContact O-N 3.06Å; L670-I673 VanDerWaalsContact O-N 3.12Å; I673-Q675 VanDerWaalsContact C-N 3.32Å; I673-Q675 PolarHBondContact O-N 2.94Å; I673-V676 PolarHBondContact O-N 3.28Å; I673-I677 HydrophobicContact CG2-CD1 4.13Å; I673-I677 WeakPolarHBondContact O-CG1 3.4Å; I673-I677 PolarHBondContact O-N 3.39Å; I673-M707 HydrophobicContact CD1-CE 4.01Å; I673-L717 HydrophobicContact CG2-CD1 3.66Å; I673-L717 HydrophobicContact CG2-CD2 4.03Å; I673-L717 HydrophobicContact CG2-CG 3.81Å; I673-I721 HydrophobicContact CB-CG2 4.35Å; I673-I721 HydrophobicContact CG2-CD1 4.38Å; I673-I721 HydrophobicContact CG2-CG2 3.57Å; I673-F736 HydrophobicContact CD1-CE1 4.11Å; I673-F736 HydrophobicContact CG1-CD1 4.47Å; I673-F736 HydrophobicContact CG1-CE1 3.91Å; I673-I739 HydrophobicContact CD1-CD1 4.19Å; I673-I739 HydrophobicContact CG1-CD1 4.03Å; I673-I739 HydrophobicContact CG2-CD1 4.44Å
674	I	98.5	Very high	96.8	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.015	7%	0.071	C	C	.	.	H	α-helix	trans	-58.8	-43.4	173.5	-73.5	174.1	0	0	0	111.2	I631 E634 M635 W659 L670 F672 I677 A678 I721	I631-I674 HydrophobicContact CG2-CD1 4.46Å; E634-I674 HydrophobicContact CB-CD1 4.13Å; E634-I674 HydrophobicContact CB-CG2 4.2Å; M635-I674 HydrophobicContact CB-CG2 4.19Å; W659-I674 HydrophobicContact CZ3-CG2 4.34Å; L670-I674 HydrophobicContact CD1-CD1 4.09Å; L670-I674 HydrophobicContact CD1-CG1 4.33Å; L670-I674 HydrophobicContact CD2-CD1 4.33Å; L670-I674 HydrophobicContact CG-CD1 3.78Å; L670-I674 HydrophobicContact CG-CG1 4.38Å; L670-I674 WeakPolarHBondContact O-CG1 3.41Å; L670-I674 PolarHBondContact O-N 3.42Å; F672-I674 VanDerWaalsContact C-N 3.33Å; F672-I674 PolarHBondContact O-N 2.95Å; I674-I677 PolarHBondContact O-N 3.18Å; I674-A678 WeakPolarHBondContact O-CB 2.98Å; I674-A678 PolarHBondContact O-N 3.15Å; I674-I721 HydrophobicContact CG1-CD1 4.11Å
675	Q	98.7	Very high	96.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-71.3	-33.9	177.4	-71.5	178.8	96.3	0	0	112.7	F642 T656 G657 W659 K671 F672 I673 A678 A679 L686	F642-Q675 HydrophobicContact CE2-CB 4.34Å; F642-Q675 HydrophobicContact CE2-CG 4.5Å; F642-Q675 HydrophobicContact CZ-CG 4.24Å; T656-Q675 VanDerWaalsContact CG2-OE1 3.24Å; T656-Q675 PolarHBondContact OG1-OE1 3.21Å; G657-Q675 PolarHBondContact O-NE2 3.25Å; W659-Q675 HydrophobicContact CE3-CG 4.11Å; K671-Q675 VanDerWaalsContact O-CG 3.31Å; K671-Q675 WeakPolarHBondContact O-CG 3.45Å; K671-Q675 PolarHBondContact O-N 3.35Å; K671-Q675 PolarHBondContact O-NE2 3.3Å; K671-Q675 VanDerWaalsContact O-NE2 3.13Å; F672-Q675 PolarHBondContact O-N 3.44Å; F672-Q675 VanDerWaalsContact O-N 3.12Å; I673-Q675 VanDerWaalsContact C-N 3.32Å; I673-Q675 PolarHBondContact O-N 2.94Å; Q675-A678 PolarHBondContact O-N 3.35Å; Q675-A679 VanDerWaalsContact O-CB 3.28Å; Q675-A679 WeakPolarHBondContact O-CB 3.4Å; Q675-A679 PolarHBondContact O-N 3.11Å; Q675-L686 HydrophobicContact CB-CD2 4.16Å
676	V	98.6	Very high	97	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.6	-41.5	172.3	171.8	0	0	0	0	111.2	P496 V498 F672 I673 G680 L686 I704 L717	P496-V676 HydrophobicContact CG-CG1 4.18Å; P496-V676 WeakPolarHBondContact CG-O 3.47Å; V498-V676 HydrophobicContact CG2-CG1 4.48Å; V498-V676 HydrophobicContact CG2-CG2 4.21Å; F672-V676 HydrophobicContact CD2-CG2 4.13Å; F672-V676 HydrophobicContact CE1-CG2 4.09Å; F672-V676 HydrophobicContact CE2-CG2 3.63Å; F672-V676 HydrophobicContact CZ-CG2 3.61Å; F672-V676 WeakPolarHBondContact O-CG2 3.44Å; F672-V676 PolarHBondContact O-N 3.43Å; I673-V676 PolarHBondContact O-N 3.28Å; V676-G680 PolarHBondContact O-N 2.82Å; V676-L686 HydrophobicContact CG2-CD2 3.77Å; V676-I704 HydrophobicContact CG1-CD1 3.91Å; V676-I704 HydrophobicContact CG2-CD1 4.01Å; V676-L717 HydrophobicContact CG1-CD2 4.24Å
677	I	97.1	Very high	97	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.7	-50	173	-66.7	164.7	0	0	0	110	W487 M635 I673 I674 A679 G680 V681 L717 F718 I721	W487-I677 HydrophobicContact CH2-CG2 4.06Å; W487-I677 HydrophobicContact CZ3-CG2 3.88Å; M635-I677 HydrophobicContact CG-CG2 3.85Å; I673-I677 HydrophobicContact CG2-CD1 4.13Å; I673-I677 WeakPolarHBondContact O-CG1 3.4Å; I673-I677 PolarHBondContact O-N 3.39Å; I674-I677 PolarHBondContact O-N 3.18Å; I677-A679 VanDerWaalsContact C-N 3.35Å; I677-A679 PolarHBondContact O-N 3.08Å; I677-G680 CarbonylContact O-C 3.59Å; I677-G680 PolarHBondContact O-N 3.4Å; I677-V681 HydrophobicContact CG2-CG2 4.29Å; I677-V681 WeakPolarHBondContact O-CG2 3.37Å; I677-V681 PolarHBondContact O-N 3.04Å; I677-L717 HydrophobicContact CD1-CG 4.18Å; I677-L717 HydrophobicContact CG1-CD2 4.11Å; I677-L717 HydrophobicContact CG1-CG 4.07Å; I677-F718 HydrophobicContact CD1-CB 4.17Å; I677-I721 HydrophobicContact CD1-CD1 3.44Å; I677-I721 VanDerWaalsContact CD1-CD1 3.44Å; I677-I721 HydrophobicContact CD1-CG1 4.1Å
678	A	96.9	Very high	97.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.1	-39.4	-178.9	0	0	0	0	0	113.5	A638 S639 F642 I674 Q675 V681 A682	A638-A678 HydrophobicContact CB-CB 3.59Å; S639-A678 WeakPolarHBondContact OG-CA 3.39Å; F642-A678 HydrophobicContact CD2-CB 3.7Å; F642-A678 HydrophobicContact CE2-CB 3.75Å; I674-A678 WeakPolarHBondContact O-CB 2.98Å; I674-A678 PolarHBondContact O-N 3.15Å; Q675-A678 PolarHBondContact O-N 3.35Å; A678-V681 PolarHBondContact O-N 3.36Å; A678-A682 WeakPolarHBondContact O-CB 3.5Å; A678-A682 PolarHBondContact O-N 3.16Å
679	A	97.4	Very high	97	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-67.5	-40.5	176	0	0	0	0	0	111.3	P496 F642 Q675 I677 A682 D683 R684 L686	P496-A679 HydrophobicContact CG-CB 4.21Å; F642-A679 HydrophobicContact CD2-CB 4.22Å; F642-A679 HydrophobicContact CE2-CB 4.45Å; Q675-A679 VanDerWaalsContact O-CB 3.28Å; Q675-A679 WeakPolarHBondContact O-CB 3.4Å; Q675-A679 PolarHBondContact O-N 3.11Å; I677-A679 VanDerWaalsContact C-N 3.35Å; I677-A679 PolarHBondContact O-N 3.08Å; A679-A682 CarbonylContact O-C 3.5Å; A679-A682 PolarHBondContact O-N 2.98Å; A679-D683 PolarHBondContact O-N 3.19Å; A679-R684 PolarHBondContact O-N 3.09Å; A679-L686 HydrophobicContact CB-CB 4Å; A679-L686 HydrophobicContact CB-CD1 4.07Å; A679-L686 HydrophobicContact CB-CD2 4.41Å; A679-L686 HydrophobicContact CB-CG 4.4Å
680	G	95	Very high	96.9	Very high	4 Å²	4	7 Å²	7	4%	0.041	4%	0.041	C	C	.	.	H	α-helix	trans	-62.9	-38	170.5	0	0	0	0	0	113.4	R493 V676 I677 A682 D683 L714	R493-G680 PolarHBondContact NE-O 3.5Å; R493-G680 PolarHBondContact NH1-O 3.43Å; R493-G680 PolarHBondContact NH2-O 3.3Å; V676-G680 PolarHBondContact O-N 2.82Å; I677-G680 CarbonylContact O-C 3.59Å; I677-G680 PolarHBondContact O-N 3.4Å; G680-A682 VanDerWaalsContact C-N 3.35Å; G680-D683 PolarHBondContact O-N 3.32Å; G680-L714 VanDerWaalsContact C-CD1 3.41Å; G680-L714 WeakPolarHBondContact O-CD1 3.48Å
681	V	93	Very high	96.6	Very high	11 Å²	11	10.6 Å²	10.6	7%	0.067	6%	0.057	C	C	.	.	H	α-helix	trans	-63.6	-41.8	173.8	169.7	0	0	0	0	110.8	W487 R493 M643 I677 A678 D683	W487-V681 HydrophobicContact CD2-CG2 3.6Å; W487-V681 HydrophobicContact CE3-CG2 4Å; W487-V681 HydrophobicContact CG-CG2 3.93Å; W487-V681 HydrophobicContact CH2-CG2 4.42Å; W487-V681 HydrophobicContact CZ2-CG2 4.05Å; W487-V681 HydrophobicContact CZ3-CG2 4.39Å; R493-V681 PolarHBondContact NH1-O 3.37Å; R493-V681 PolarHBondContact NH2-O 3.06Å; M643-V681 HydrophobicContact SD-CG1 3.93Å; I677-V681 HydrophobicContact CG2-CG2 4.29Å; I677-V681 WeakPolarHBondContact O-CG2 3.37Å; I677-V681 PolarHBondContact O-N 3.04Å; A678-V681 PolarHBondContact O-N 3.36Å; V681-D683 VanDerWaalsContact C-N 3.28Å; V681-D683 PolarHBondContact O-N 3.05Å
682	A	93.1	Very high	96.2	Very high	13 Å²	13	13.1 Å²	13.1	11%	0.107	8%	0.083	C	C	.	.	H	α-helix	trans	-73.6	-11.6	176.8	0	0	0	0	0	114.9	F642 M643 A678 A679 G680 R684	F642-A682 HydrophobicContact CB-CB 3.75Å; M643-A682 HydrophobicContact CG-CB 3.83Å; A678-A682 WeakPolarHBondContact O-CB 3.5Å; A678-A682 PolarHBondContact O-N 3.16Å; A679-A682 CarbonylContact O-C 3.5Å; A679-A682 PolarHBondContact O-N 2.98Å; G680-A682 VanDerWaalsContact C-N 3.35Å; A682-R684 HydrophobicContact CB-CG 4.17Å; A682-R684 WeakPolarHBondContact O-CG 3.41Å
683	D	94	Very high	95.9	Very high	84 Å²	84	16 Å²	16	45%	0.449	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	31.1	-173.5	-131.7	53.8	0	0	0	115	R493 T650 A679 G680 V681	R493-D683 IonicContact CZ-OD1 3.19Å; R493-D683 IonicContact NE-OD1 2.68Å; R493-D683 PolarHBondContact NE-OD1 3.18Å; R493-D683 VanDerWaalsContact NE-OD1 3.15Å; R493-D683 VanDerWaalsContact NH2-CG 3.29Å; R493-D683 IonicContact NH2-OD1 2.72Å; R493-D683 PolarHBondContact NH2-OD1 2.91Å; T650-D683 VanDerWaalsContact CA-O 3.26Å; T650-D683 WeakPolarHBondContact CA-O 3.31Å; T650-D683 HydrophobicContact CG2-CB 4.22Å; A679-D683 PolarHBondContact O-N 3.19Å; G680-D683 PolarHBondContact O-N 3.32Å; V681-D683 VanDerWaalsContact C-N 3.28Å; V681-D683 PolarHBondContact O-N 3.05Å
684	R	96.3	Very high	95.6	Very high	5 Å²	5	19.5 Å²	19.5	2%	0.019	12%	0.119	C	C	.	.			trans	-125.3	142.9	-169	-59	178.2	68.1	-174.5	-2.5	112.9	T513 F642 F649 I652 P653 I654 A679 A682	T513-R684 PolarHBondContact OG1-NH1 3.39Å; T513-R684 VanDerWaalsContact OG1-NH1 3.08Å; T513-R684 PolarHBondContact OG1-NH2 3.11Å; F642-R684 WeakPolarHBondContact O-CD 3.16Å; F642-R684 PolarHBondContact O-NH1 3.33Å; F649-R684 PolarHBondContact O-NE 2.98Å; I652-R684 VanDerWaalsContact O-CZ 3.31Å; I652-R684 PolarHBondContact O-NE 3.46Å; I652-R684 PolarHBondContact O-NH2 3.05Å; P653-R684 PolarHBondContact O-NH2 3.01Å; I654-R684 VanDerWaalsContact CD1-CZ 3.45Å; I654-R684 VanDerWaalsContact CD1-NH1 3.34Å; I654-R684 HydrophobicContact CG1-CB 4.2Å; A679-R684 PolarHBondContact O-N 3.09Å; A682-R684 HydrophobicContact CB-CG 4.17Å; A682-R684 WeakPolarHBondContact O-CG 3.41Å
685	P	97.3	Very high	95.4	Very high	17 Å²	17	26.7 Å²	26.7	11%	0.11	15%	0.152	C	C	.	.			trans	-56.4	146.9	168	-27.3	32.7	0	0	0	112.9	E497 T650 P653 I654	E497-P685 HydrophobicContact CB-CB 4.07Å; E497-P685 HydrophobicContact CB-CG 4.25Å; E497-P685 WeakPolarHBondContact O-CA 3.39Å; T650-P685 WeakPolarHBondContact O-CD 3.4Å; P653-P685 WeakPolarHBondContact CA-O 3.43Å; P653-P685 HydrophobicContact CB-CB 4.19Å; I654-P685 PolarHBondContact N-O 2.73Å
686	L	98.3	Very high	95.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	108.5	177.6	-169.2	63.6	0	0	0	110.1	E497 V498 E499 F642 I654 T656 Q675 V676 A679 F688	E497-L686 PolarHBondContact O-N 2.83Å; V498-L686 CarbonylContact C-O 3.35Å; V498-L686 WeakPolarHBondContact CA-O 3.49Å; V498-L686 HydrophobicContact CG1-CB 4.44Å; V498-L686 HydrophobicContact CG2-CB 4.3Å; E499-L686 PolarHBondContact N-O 3.38Å; F642-L686 HydrophobicContact CE2-CD1 4.45Å; I654-L686 HydrophobicContact CB-CD1 3.93Å; I654-L686 HydrophobicContact CG2-CD1 3.88Å; T656-L686 HydrophobicContact CG2-CD1 3.51Å; T656-L686 HydrophobicContact CG2-CG 4.21Å; Q675-L686 HydrophobicContact CB-CD2 4.16Å; V676-L686 HydrophobicContact CG2-CD2 3.77Å; A679-L686 HydrophobicContact CB-CB 4Å; A679-L686 HydrophobicContact CB-CD1 4.07Å; A679-L686 HydrophobicContact CB-CD2 4.41Å; A679-L686 HydrophobicContact CB-CG 4.4Å; L686-F688 HydrophobicContact CD2-CD2 4.26Å; L686-F688 HydrophobicContact CG-CD2 4.45Å
687	H	97.8	Very high	95	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.032	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	110.5	175.7	-74.2	-141.9	0	0	0	107.7	E249 E499 F501 P653 I654 V655 T656	E249-H687 IonicContact OE2-CE1 3.47Å; E499-H687 IonicContact OE2-CE1 2.66Å; F501-H687 HydrophobicContact CD2-CB 4.22Å; F501-H687 HydrophobicContact CE2-CB 3.7Å; F501-H687 AromaticContact CE2-CG 3.65Å; F501-H687 AromaticContact CE2-ND1 3.37Å; F501-H687 WeakPolarHBondContact CE2-ND1 3.16Å; F501-H687 AromaticContact CZ-ND1 3.56Å; P653-H687 HydrophobicContact CB-CB 4.28Å; P653-H687 WeakPolarHBondContact CB-CD2 3.45Å; I654-H687 PolarHBondContact O-N 3.12Å; V655-H687 WeakPolarHBondContact CA-O 3.35Å; V655-H687 HydrophobicContact CG2-CB 4.15Å; T656-H687 PolarHBondContact N-O 2.89Å
688	F	97.9	Very high	95	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	106.1	-166.9	-156.4	-77.5	0	0	0	111.7	E499 F500 F501 T656 G657 W658 F672 L686 S690	E499-F688 PolarHBondContact O-N 2.88Å; F500-F688 WeakPolarHBondContact CA-O 3.48Å; F500-F688 HydrophobicContact CD1-CB 3.94Å; F500-F688 AromaticContact CD1-CD1 3.9Å; F500-F688 HydrophobicContact CD1-CD1 3.9Å; F500-F688 HydrophobicContact CD1-CG 4.27Å; F500-F688 HydrophobicContact CD2-CB 4.42Å; F500-F688 HydrophobicContact CE1-CB 3.86Å; F500-F688 AromaticContact CE1-CD1 3.31Å; F500-F688 HydrophobicContact CE1-CD1 3.31Å; F500-F688 HydrophobicContact CE1-CE1 4.04Å; F500-F688 AromaticContact CE1-CG 3.75Å; F500-F688 HydrophobicContact CE1-CG 3.75Å; F500-F688 HydrophobicContact CE2-CB 4.35Å; F500-F688 HydrophobicContact CG-CB 4.21Å; F500-F688 HydrophobicContact CZ-CB 4.06Å; F500-F688 AromaticContact CZ-CD1 3.92Å; F500-F688 HydrophobicContact CZ-CD1 3.92Å; F500-F688 AromaticContact CZ-CG 3.97Å; F500-F688 HydrophobicContact CZ-CG 3.97Å; F501-F688 PolarHBondContact N-O 2.99Å; T656-F688 HydrophobicContact CG2-CD2 3.7Å; T656-F688 HydrophobicContact CG2-CE2 3.98Å; G657-F688 WeakPolarHBondContact O-CE2 3.24Å; G657-F688 WeakPolarHBondContact O-CZ 3.39Å; W658-F688 AromaticContact CD2-CE1 3.84Å; W658-F688 HydrophobicContact CD2-CE1 3.84Å; W658-F688 HydrophobicContact CD2-CZ 4.13Å; W658-F688 AromaticContact CE2-CE1 3.97Å; W658-F688 AromaticContact CE3-CE1 3.6Å; W658-F688 HydrophobicContact CE3-CE1 3.6Å; W658-F688 AromaticContact CE3-CZ 3.54Å; W658-F688 HydrophobicContact CE3-CZ 3.54Å; W658-F688 HydrophobicContact CH2-CD1 4.47Å; W658-F688 AromaticContact CH2-CE1 3.57Å; W658-F688 HydrophobicContact CH2-CE1 3.57Å; W658-F688 HydrophobicContact CH2-CZ 4.13Å; W658-F688 AromaticContact CZ2-CE1 3.84Å; W658-F688 HydrophobicContact CZ2-CE1 3.84Å; W658-F688 AromaticContact CZ3-CE1 3.48Å; W658-F688 HydrophobicContact CZ3-CE1 3.48Å; W658-F688 VanDerWaalsContact CZ3-CE1 3.48Å; W658-F688 AromaticContact CZ3-CZ 3.55Å; W658-F688 HydrophobicContact CZ3-CZ 3.55Å; F672-F688 AromaticContact CD2-CD2 3.85Å; F672-F688 HydrophobicContact CD2-CD2 3.85Å; F672-F688 AromaticContact CD2-CE2 3.67Å; F672-F688 HydrophobicContact CD2-CE2 3.67Å; F672-F688 HydrophobicContact CD2-CG 4.41Å; F672-F688 HydrophobicContact CD2-CZ 4.08Å; F672-F688 HydrophobicContact CE2-CD2 4.15Å; F672-F688 HydrophobicContact CE2-CE2 4.43Å; L686-F688 HydrophobicContact CD2-CD2 4.26Å; L686-F688 HydrophobicContact CG-CD2 4.45Å; F688-S690 PolarHBondContact O-N 2.81Å
689	C	96.5	Very high	95.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	117.2	171.9	-65	0	0	0	0	109.7	F501 M504 I506 T656 G657 F691	F501-C689 WeakPolarHBondContact O-CA 3.41Å; M504-C689 WeakPolarHBondContact O-CB 3.13Å; M504-C689 PolarHBondContact O-SG 2.77Å; I506-C689 HydrophobicContact CG1-CB 4.42Å; T656-C689 WeakPolarHBondContact O-CB 3.49Å; T656-C689 PolarHBondContact O-N 3.02Å; G657-C689 WeakPolarHBondContact CA-O 3.34Å; C689-F691 HydrophobicContact CB-CD1 3.9Å; C689-F691 HydrophobicContact CB-CE1 3.42Å; C689-F691 VanDerWaalsContact CB-CE1 3.42Å; C689-F691 HydrophobicContact CB-CZ 3.89Å
690	S	94.8	Very high	95.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.			trans	-86.9	-6.9	-179.6	82.2	0	0	0	0	113.8	F501 D502 W658 F688 G692 E693	F501-S690 PolarHBondContact O-N 2.84Å; F501-S690 VanDerWaalsContact O-N 3.07Å; D502-S690 WeakPolarHBondContact CA-OG 3.23Å; D502-S690 WeakPolarHBondContact OD1-CB 3.48Å; D502-S690 PolarHBondContact OD1-OG 3.18Å; W658-S690 PolarHBondContact NE1-O 3.37Å; F688-S690 PolarHBondContact O-N 2.81Å; S690-G692 VanDerWaalsContact C-N 3.3Å; S690-G692 PolarHBondContact O-N 3.44Å; S690-E693 WeakPolarHBondContact O-CB 3.35Å; S690-E693 PolarHBondContact O-N 2.98Å; S690-E693 PolarHBondContact OG-N 2.89Å
691	F	92.4	Very high	95.2	Very high	77 Å²	77	36.7 Å²	36.7	34%	0.338	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	39.2	179.5	-49.8	-50	0	0	0	114.3	L505 I506 F517 W658 C689	L505-F691 HydrophobicContact CD2-CD1 4.18Å; L505-F691 HydrophobicContact CD2-CE1 4.5Å; I506-F691 HydrophobicContact CD1-CZ 3.94Å; I506-F691 HydrophobicContact CG1-CE1 4.27Å; I506-F691 HydrophobicContact CG1-CZ 4.06Å; F517-F691 AromaticContact CE2-CE2 3.99Å; F517-F691 HydrophobicContact CE2-CE2 3.99Å; F517-F691 HydrophobicContact CE2-CZ 4.27Å; F517-F691 HydrophobicContact CZ-CE2 4.23Å; F517-F691 HydrophobicContact CZ-CZ 4.3Å; W658-F691 AromaticContact CD1-CD2 3.78Å; W658-F691 HydrophobicContact CG-CD2 4.5Å; C689-F691 HydrophobicContact CB-CD1 3.9Å; C689-F691 HydrophobicContact CB-CE1 3.42Å; C689-F691 VanDerWaalsContact CB-CE1 3.42Å; C689-F691 HydrophobicContact CB-CZ 3.89Å
692	G	89.5	Confident	95.4	Very high	54 Å²	54	43.4 Å²	43.4	56%	0.557	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.2	19.2	179.7	0	0	0	0	0	115	D502 S690 P694	D502-G692 WeakPolarHBondContact O-CA 3.38Å; D502-G692 PolarHBondContact O-N 2.76Å; S690-G692 VanDerWaalsContact C-N 3.3Å; S690-G692 PolarHBondContact O-N 3.44Å; G692-P694 WeakPolarHBondContact O-CD 3.33Å
693	E	92.6	Very high	95.6	Very high	62 Å²	62	43.3 Å²	43.3	29%	0.29	23%	0.23	S	C	.	.			trans	-109.9	60.9	178.5	-60.7	-176.2	-143.9	0	0	113	K668 S690 E695 L696 A697	K668-E693 IonicContact NZ-OE1 3.75Å; K668-E693 PolarHBondContact NZ-OE1 3.31Å; K668-E693 IonicContact NZ-OE2 3.45Å; K668-E693 PolarHBondContact NZ-OE2 2.89Å; S690-E693 WeakPolarHBondContact O-CB 3.35Å; S690-E693 PolarHBondContact O-N 2.98Å; S690-E693 PolarHBondContact OG-N 2.89Å; E693-E695 VanDerWaalsContact C-N 3.28Å; E693-E695 PolarHBondContact O-N 2.86Å; E693-L696 HydrophobicContact CB-CB 4.24Å; E693-L696 PolarHBondContact O-N 2.96Å; E693-L696 VanDerWaalsContact O-N 3.12Å; E693-L696 WeakPolarHBondContact OE2-CD2 3.45Å; E693-A697 PolarHBondContact O-N 3.19Å
694	P	91.3	Very high	95.8	Very high	72 Å²	72	39.8 Å²	39.8	47%	0.468	21%	0.212	S	C	.	.	H	α-helix	trans	-65.8	-25.9	-171.3	28.5	-36.9	0	0	0	113.7	D502 G692 A698	D502-P694 HydrophobicContact CB-CB 4.47Å; G692-P694 WeakPolarHBondContact O-CD 3.33Å; P694-A698 VanDerWaalsContact O-CB 3.26Å; P694-A698 WeakPolarHBondContact O-CB 3.25Å; P694-A698 PolarHBondContact O-N 2.94Å
695	E	94.8	Very high	95.8	Very high	155 Å²	155	44.7 Å²	44.7	72%	0.724	24%	0.235	S	C	*	.	H	α-helix	trans	-69.3	-37.6	175.1	-66.5	-170.8	-167.5	0	0	112.3	E693 K699	E693-E695 VanDerWaalsContact C-N 3.28Å; E693-E695 PolarHBondContact O-N 2.86Å; E695-K699 WeakPolarHBondContact O-CG 3.26Å; E695-K699 PolarHBondContact O-N 3.05Å
696	L	94.9	Very high	95.8	Very high	9 Å²	9	46.8 Å²	46.8	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-72.5	-44	174.3	178.3	56.8	0	0	0	110	W658 K668 E693 A698 K699 C700 F733	W658-L696 HydrophobicContact CH2-CD2 3.45Å; W658-L696 VanDerWaalsContact CH2-CD2 3.45Å; W658-L696 HydrophobicContact CH2-CG 3.56Å; W658-L696 HydrophobicContact CZ2-CB 4.4Å; W658-L696 HydrophobicContact CZ2-CD2 3.43Å; W658-L696 VanDerWaalsContact CZ2-CD2 3.43Å; W658-L696 HydrophobicContact CZ2-CG 3.75Å; W658-L696 HydrophobicContact CZ3-CD2 4Å; W658-L696 HydrophobicContact CZ3-CG 4.4Å; K668-L696 HydrophobicContact CB-CD2 4.01Å; K668-L696 HydrophobicContact CD-CD2 3.53Å; K668-L696 HydrophobicContact CG-CD2 4.41Å; E693-L696 HydrophobicContact CB-CB 4.24Å; E693-L696 PolarHBondContact O-N 2.96Å; E693-L696 VanDerWaalsContact O-N 3.12Å; E693-L696 WeakPolarHBondContact OE2-CD2 3.45Å; L696-A698 VanDerWaalsContact C-N 3.28Å; L696-A698 PolarHBondContact O-N 3.31Å; L696-K699 WeakPolarHBondContact O-CB 3.37Å; L696-K699 PolarHBondContact O-N 3.27Å; L696-K699 VanDerWaalsContact O-N 3.07Å; L696-C700 PolarHBondContact O-N 2.96Å; L696-C700 PolarHBondContact O-SG 3.13Å; L696-F733 HydrophobicContact CD1-CE1 3.56Å; L696-F733 HydrophobicContact CD1-CZ 4.03Å
697	A	95.2	Very high	95.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.4	-40	172.7	0	0	0	0	0	112.5	F500 D502 E693 C700 K701	F500-A697 HydrophobicContact CD1-CB 3.6Å; F500-A697 HydrophobicContact CE1-CB 3.98Å; F500-A697 HydrophobicContact CG-CB 4.31Å; D502-A697 WeakPolarHBondContact OD1-CB 3.26Å; E693-A697 PolarHBondContact O-N 3.19Å; A697-C700 PolarHBondContact O-N 3.05Å; A697-K701 WeakPolarHBondContact O-CB 3.48Å; A697-K701 VanDerWaalsContact O-CG 3.23Å; A697-K701 WeakPolarHBondContact O-CG 3.2Å; A697-K701 PolarHBondContact O-N 2.88Å
698	A	96.6	Very high	95.5	Very high	51 Å²	51	51 Å²	51	42%	0.421	26%	0.258	S	S	.	.	H	α-helix	trans	-64	-37.8	175.1	0	0	0	0	0	113	P694 L696 K702	P694-A698 VanDerWaalsContact O-CB 3.26Å; P694-A698 WeakPolarHBondContact O-CB 3.25Å; P694-A698 PolarHBondContact O-N 2.94Å; L696-A698 VanDerWaalsContact C-N 3.28Å; L696-A698 PolarHBondContact O-N 3.31Å; A698-K702 WeakPolarHBondContact O-CB 3.41Å; A698-K702 PolarHBondContact O-N 2.9Å
699	K	97.6	Very high	95.3	Very high	87 Å²	87	57.9 Å²	57.9	38%	0.378	29%	0.291	S	S	.	.	H	α-helix	trans	-65.9	-41.7	172.5	-67.3	168.4	-174.4	170.7	0	111.3	E695 L696 K702 I703 F733 F736	E695-K699 WeakPolarHBondContact O-CG 3.26Å; E695-K699 PolarHBondContact O-N 3.05Å; L696-K699 WeakPolarHBondContact O-CB 3.37Å; L696-K699 PolarHBondContact O-N 3.27Å; L696-K699 VanDerWaalsContact O-N 3.07Å; K699-K702 PolarHBondContact O-N 3.25Å; K699-I703 PolarHBondContact O-N 3.04Å; K699-F733 HydrophobicContact CD-CD1 3.94Å; K699-F733 HydrophobicContact CD-CE1 3.35Å; K699-F733 HydrophobicContact CD-CE2 4.45Å; K699-F733 HydrophobicContact CD-CZ 3.68Å; K699-F733 VanDerWaalsContact NZ-CE2 3.33Å; K699-F736 HydrophobicContact CB-CD2 4.44Å; K699-F736 HydrophobicContact CB-CE2 4.22Å
700	C	97.8	Very high	95.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-44.8	175.8	-62.2	0	0	0	0	112.6	F500 F672 L696 A697 I703 I704 F736	F500-C700 HydrophobicContact CE1-CB 4.01Å; F500-C700 HydrophobicContact CE2-CB 3.73Å; F500-C700 HydrophobicContact CZ-CB 3.24Å; F672-C700 HydrophobicContact CD1-CB 4.04Å; F672-C700 HydrophobicContact CE1-CB 3.69Å; F672-C700 HydrophobicContact CE2-CB 4.36Å; F672-C700 HydrophobicContact CG-CB 4.49Å; F672-C700 HydrophobicContact CZ-CB 3.88Å; L696-C700 PolarHBondContact O-N 2.96Å; L696-C700 PolarHBondContact O-SG 3.13Å; A697-C700 PolarHBondContact O-N 3.05Å; C700-I703 WeakPolarHBondContact O-CG2 3.47Å; C700-I703 PolarHBondContact O-N 2.7Å; C700-I704 VanDerWaalsContact O-CG1 3.31Å; C700-I704 WeakPolarHBondContact O-CG1 3.38Å; C700-I704 PolarHBondContact O-N 2.98Å; C700-I704 VanDerWaalsContact O-N 3.12Å; C700-F736 HydrophobicContact CB-CZ 4.49Å
701	K	97.6	Very high	95.1	Very high	67 Å²	67	68.1 Å²	68.1	29%	0.291	34%	0.342	S	S	.	.	H	α-helix	trans	-54.8	-54	172.3	-71.3	161.6	-174.4	167.8	0	110.3	F500 D502 A697 I703 I704 E705	F500-K701 HydrophobicContact CB-CD 4.44Å; F500-K701 HydrophobicContact CB-CG 4.49Å; F500-K701 HydrophobicContact CD2-CG 3.93Å; F500-K701 HydrophobicContact CG-CG 4.36Å; D502-K701 IonicContact OD2-NZ 2.59Å; D502-K701 PolarHBondContact OD2-NZ 2.92Å; D502-K701 VanDerWaalsContact OD2-NZ 3.13Å; A697-K701 WeakPolarHBondContact O-CB 3.48Å; A697-K701 VanDerWaalsContact O-CG 3.23Å; A697-K701 WeakPolarHBondContact O-CG 3.2Å; A697-K701 PolarHBondContact O-N 2.88Å; K701-I703 PolarHBondContact O-N 3.35Å; K701-I704 PolarHBondContact O-N 2.8Å; K701-I704 VanDerWaalsContact O-N 3.16Å; K701-E705 WeakPolarHBondContact O-CG 3.29Å; K701-E705 PolarHBondContact O-N 2.72Å
702	K	97.5	Very high	95.1	Very high	152 Å²	152	64.7 Å²	64.7	66%	0.661	33%	0.327	S	S	*	.	H	α-helix	trans	-59.6	-37.8	-178.7	-173.8	176.3	-179.6	-179.6	0	114.2	A698 K699 R706	A698-K702 WeakPolarHBondContact O-CB 3.41Å; A698-K702 PolarHBondContact O-N 2.9Å; K699-K702 PolarHBondContact O-N 3.25Å; K702-R706 WeakPolarHBondContact O-CB 3.3Å; K702-R706 PolarHBondContact O-N 3.27Å
703	I	97.3	Very high	95.3	Very high	10 Å²	10	62.7 Å²	62.7	5%	0.051	30%	0.304	C	S	.	.	H	α-helix	trans	-74.9	-35.6	177.6	-162.2	169.2	0	0	0	112.1	K699 C700 K701 R706 M707 F736 I739	K699-I703 PolarHBondContact O-N 3.04Å; C700-I703 WeakPolarHBondContact O-CG2 3.47Å; C700-I703 PolarHBondContact O-N 2.7Å; K701-I703 PolarHBondContact O-N 3.35Å; I703-R706 PolarHBondContact O-N 3.08Å; I703-M707 HydrophobicContact CG1-CE 4.32Å; I703-M707 WeakPolarHBondContact O-CB 3.34Å; I703-M707 VanDerWaalsContact O-CG 3.26Å; I703-M707 WeakPolarHBondContact O-CG 3.07Å; I703-M707 PolarHBondContact O-N 3.35Å; I703-F736 HydrophobicContact CD1-CB 3.76Å; I703-F736 HydrophobicContact CD1-CD1 3.62Å; I703-F736 HydrophobicContact CD1-CD2 4.48Å; I703-F736 HydrophobicContact CD1-CE1 4.36Å; I703-F736 HydrophobicContact CD1-CG 3.7Å; I703-F736 HydrophobicContact CG2-CD1 4.26Å; I703-F736 HydrophobicContact CG2-CD2 4.42Å; I703-F736 HydrophobicContact CG2-CE1 4.02Å; I703-F736 HydrophobicContact CG2-CE2 4.19Å; I703-F736 HydrophobicContact CG2-CG 4.48Å; I703-F736 HydrophobicContact CG2-CZ 3.99Å; I703-I739 HydrophobicContact CD1-CB 3.98Å; I703-I739 HydrophobicContact CD1-CD1 4.31Å; I703-I739 HydrophobicContact CD1-CG2 3.78Å; I703-I739 HydrophobicContact CG1-CG2 4.21Å
704	I	97.9	Very high	95.4	Very high	11 Å²	11	59.8 Å²	59.8	6%	0.056	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-45.6	171.4	-66.6	-72.8	0	0	0	110.8	V498 F672 V676 C700 K701 M707 K708	V498-I704 HydrophobicContact CG2-CD1 4.25Å; F672-I704 HydrophobicContact CE1-CD1 4.05Å; F672-I704 HydrophobicContact CE1-CG1 3.89Å; F672-I704 HydrophobicContact CZ-CD1 3.89Å; F672-I704 HydrophobicContact CZ-CG1 3.68Å; V676-I704 HydrophobicContact CG1-CD1 3.91Å; V676-I704 HydrophobicContact CG2-CD1 4.01Å; C700-I704 VanDerWaalsContact O-CG1 3.31Å; C700-I704 WeakPolarHBondContact O-CG1 3.38Å; C700-I704 PolarHBondContact O-N 2.98Å; C700-I704 VanDerWaalsContact O-N 3.12Å; K701-I704 PolarHBondContact O-N 2.8Å; K701-I704 VanDerWaalsContact O-N 3.16Å; I704-M707 HydrophobicContact CD1-CE 3.75Å; I704-M707 HydrophobicContact CG1-CE 4.41Å; I704-M707 PolarHBondContact O-N 2.81Å; I704-K708 HydrophobicContact CG2-CD 4.12Å; I704-K708 WeakPolarHBondContact O-CG 3.29Å; I704-K708 PolarHBondContact O-N 3.46Å
705	E	96.6	Very high	95.4	Very high	107 Å²	107	56.7 Å²	56.7	50%	0.5	27%	0.272	S	S	.	.	H	α-helix	trans	-56.6	-50.3	174.6	-71.7	160.4	-163.4	0	0	111.3	K701 M707 K708 Q709	K701-E705 WeakPolarHBondContact O-CG 3.29Å; K701-E705 PolarHBondContact O-N 2.72Å; E705-M707 VanDerWaalsContact C-N 3.32Å; E705-M707 PolarHBondContact O-N 2.87Å; E705-K708 PolarHBondContact O-N 3.27Å; E705-Q709 WeakPolarHBondContact O-CB 3.45Å; E705-Q709 VanDerWaalsContact O-CG 3.26Å; E705-Q709 WeakPolarHBondContact O-CG 3.28Å; E705-Q709 PolarHBondContact O-N 3.24Å
706	R	96.4	Very high	95.3	Very high	62 Å²	62	53.1 Å²	53.1	23%	0.234	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-36.5	178.9	-167.3	-176.3	179.4	-159.8	-5.6	112.6	K702 I703 K710 S740 L743 S744	K702-R706 WeakPolarHBondContact O-CB 3.3Å; K702-R706 PolarHBondContact O-N 3.27Å; I703-R706 PolarHBondContact O-N 3.08Å; R706-K710 WeakPolarHBondContact O-CG 3.48Å; R706-K710 PolarHBondContact O-N 3.21Å; R706-S740 PolarHBondContact NH1-O 3.31Å; R706-L743 HydrophobicContact CB-CD1 4.49Å; R706-L743 HydrophobicContact CG-CD1 4.06Å; R706-L743 PolarHBondContact NH2-O 2.96Å; R706-S744 PolarHBondContact NH2-OG 3.12Å
707	M	96.1	Very high	95.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-69.9	-39.3	175.9	-74.3	-173.8	-59	0	0	112	L495 I673 I703 I704 E705 K710 D711 V712 L717 I739 L743	L495-M707 HydrophobicContact CD1-CB 3.69Å; L495-M707 HydrophobicContact CD1-CE 3.9Å; L495-M707 HydrophobicContact CD1-SD 4.3Å; I673-M707 HydrophobicContact CD1-CE 4.01Å; I703-M707 HydrophobicContact CG1-CE 4.32Å; I703-M707 WeakPolarHBondContact O-CB 3.34Å; I703-M707 VanDerWaalsContact O-CG 3.26Å; I703-M707 WeakPolarHBondContact O-CG 3.07Å; I703-M707 PolarHBondContact O-N 3.35Å; I704-M707 HydrophobicContact CD1-CE 3.75Å; I704-M707 HydrophobicContact CG1-CE 4.41Å; I704-M707 PolarHBondContact O-N 2.81Å; E705-M707 VanDerWaalsContact C-N 3.32Å; E705-M707 PolarHBondContact O-N 2.87Å; M707-K710 CarbonylContact O-C 3.52Å; M707-K710 PolarHBondContact O-N 3.16Å; M707-D711 PolarHBondContact O-N 3.35Å; M707-V712 HydrophobicContact CB-CB 3.94Å; M707-V712 HydrophobicContact CB-CG1 4.4Å; M707-V712 HydrophobicContact CB-CG2 3.92Å; M707-V712 HydrophobicContact CG-CB 4.41Å; M707-V712 HydrophobicContact CG-CG1 4.47Å; M707-V712 HydrophobicContact CG-CG2 4.12Å; M707-V712 WeakPolarHBondContact O-CB 3.16Å; M707-V712 VanDerWaalsContact O-CG2 3.28Å; M707-V712 WeakPolarHBondContact O-CG2 3.22Å; M707-V712 PolarHBondContact O-N 3.26Å; M707-V712 VanDerWaalsContact O-N 3.08Å; M707-V712 HydrophobicContact SD-CG1 4.46Å; M707-L717 HydrophobicContact CE-CD1 4.38Å; M707-L717 HydrophobicContact CE-CD2 4.26Å; M707-L717 HydrophobicContact SD-CD1 3.51Å; M707-L717 VanDerWaalsContact SD-CD1 3.51Å; M707-L717 HydrophobicContact SD-CD2 4.16Å; M707-L717 HydrophobicContact SD-CG 4.41Å; M707-I739 HydrophobicContact CG-CG2 4.32Å; M707-I739 HydrophobicContact SD-CG2 3.93Å; M707-L743 HydrophobicContact CG-CD1 3.72Å; M707-L743 HydrophobicContact CG-CD2 4.45Å
708	K	94.4	Very high	95.3	Very high	94 Å²	94	53.3 Å²	53.3	41%	0.409	26%	0.257	S	S	.	.	H	α-helix	trans	-66.7	-35.5	173.6	-71.8	-177.5	177.3	-173.8	0	112.1	P496 I704 E705 K710 D711	P496-K708 WeakPolarHBondContact O-CE 3.32Å; P496-K708 PolarHBondContact O-NZ 2.92Å; I704-K708 HydrophobicContact CG2-CD 4.12Å; I704-K708 WeakPolarHBondContact O-CG 3.29Å; I704-K708 PolarHBondContact O-N 3.46Å; E705-K708 PolarHBondContact O-N 3.27Å; K708-K710 PolarHBondContact O-N 2.57Å; K708-D711 PolarHBondContact O-N 2.95Å
709	Q	94.5	Very high	95.1	Very high	145 Å²	145	53.7 Å²	53.7	68%	0.678	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-6.6	172.5	-71.3	167.1	3.5	0	0	114.8	E705	E705-Q709 WeakPolarHBondContact O-CB 3.45Å; E705-Q709 VanDerWaalsContact O-CG 3.26Å; E705-Q709 WeakPolarHBondContact O-CG 3.28Å; E705-Q709 PolarHBondContact O-N 3.24Å
710	K	93.1	Very high	94.9	Very high	75 Å²	75	50.6 Å²	50.6	33%	0.326	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	20.6	179.4	-68.1	-64.1	-168.1	-177.2	0	112.1	R706 M707 K708 V712 L743 E747	R706-K710 WeakPolarHBondContact O-CG 3.48Å; R706-K710 PolarHBondContact O-N 3.21Å; M707-K710 CarbonylContact O-C 3.52Å; M707-K710 PolarHBondContact O-N 3.16Å; K708-K710 PolarHBondContact O-N 2.57Å; K710-V712 HydrophobicContact CB-CG2 4.15Å; K710-V712 PolarHBondContact O-N 3.06Å; K710-L743 HydrophobicContact CB-CD2 4.1Å; K710-L743 HydrophobicContact CG-CD2 4.39Å; K710-E747 WeakPolarHBondContact CE-OE1 3.47Å; K710-E747 IonicContact NZ-OE1 3.15Å; K710-E747 PolarHBondContact NZ-OE1 2.9Å
711	D	92.2	Very high	94.8	Very high	140 Å²	140	50.6 Å²	50.6	75%	0.749	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.4	37.1	178.7	-62.5	-60	0	0	0	114.1	M707 K708 T713	M707-D711 PolarHBondContact O-N 3.35Å; K708-D711 PolarHBondContact O-N 2.95Å; D711-T713 PolarHBondContact O-N 2.97Å
712	V	93.6	Very high	94.5	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.03	24%	0.237	C	C	.	.			trans	-66.8	120.6	-177.1	176.1	0	0	0	0	110	L495 M707 K710 M716 L717 M720 L743	L495-V712 WeakPolarHBondContact CG-O 3.42Å; M707-V712 HydrophobicContact CB-CB 3.94Å; M707-V712 HydrophobicContact CB-CG1 4.4Å; M707-V712 HydrophobicContact CB-CG2 3.92Å; M707-V712 HydrophobicContact CG-CB 4.41Å; M707-V712 HydrophobicContact CG-CG1 4.47Å; M707-V712 HydrophobicContact CG-CG2 4.12Å; M707-V712 WeakPolarHBondContact O-CB 3.16Å; M707-V712 VanDerWaalsContact O-CG2 3.28Å; M707-V712 WeakPolarHBondContact O-CG2 3.22Å; M707-V712 PolarHBondContact O-N 3.26Å; M707-V712 VanDerWaalsContact O-N 3.08Å; M707-V712 HydrophobicContact SD-CG1 4.46Å; K710-V712 HydrophobicContact CB-CG2 4.15Å; K710-V712 PolarHBondContact O-N 3.06Å; V712-M716 HydrophobicContact CG1-CB 4.13Å; V712-M716 HydrophobicContact CG2-CE 4.46Å; V712-L717 HydrophobicContact CG1-CB 4Å; V712-M720 HydrophobicContact CG2-CE 4.44Å; V712-L743 HydrophobicContact CG2-CD2 3.5Å
713	T	93.4	Very high	94.1	Very high	13 Å²	13	44.8 Å²	44.8	8%	0.08	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-85.2	163.2	174.3	61.6	0	0	0	0	111.7	R493 D711 G715 M716 L717	R493-T713 VanDerWaalsContact O-CA 3.28Å; R493-T713 WeakPolarHBondContact O-CA 3.35Å; R493-T713 WeakPolarHBondContact O-CB 3.35Å; D711-T713 PolarHBondContact O-N 2.97Å; T713-G715 VanDerWaalsContact C-N 3.28Å; T713-G715 PolarHBondContact O-N 3.47Å; T713-M716 HydrophobicContact CG2-SD 4.15Å; T713-M716 WeakPolarHBondContact O-CB 3.48Å; T713-M716 PolarHBondContact O-N 3.17Å; T713-M716 VanDerWaalsContact OG1-CG 3.22Å; T713-M716 WeakPolarHBondContact OG1-CG 3.47Å; T713-M716 PolarHBondContact OG1-N 2.71Å; T713-M716 PolarHBondContact OG1-SD 3.45Å; T713-L717 PolarHBondContact O-N 2.6Å
714	L	93.6	Very high	93.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.5	-39.3	175.6	-64.6	170.9	0	0	0	112.6	W487 R493 L495 G680 L717 F718	W487-L714 HydrophobicContact CE3-CB 4.49Å; R493-L714 HydrophobicContact CB-CD1 4.11Å; R493-L714 HydrophobicContact CG-CD1 3.73Å; R493-L714 PolarHBondContact O-N 3.2Å; L495-L714 HydrophobicContact CD2-CD2 3.82Å; L495-L714 HydrophobicContact CD2-CG 4.49Å; G680-L714 VanDerWaalsContact C-CD1 3.41Å; G680-L714 WeakPolarHBondContact O-CD1 3.48Å; L714-L717 PolarHBondContact O-N 3.23Å; L714-F718 WeakPolarHBondContact O-CB 3.46Å; L714-F718 PolarHBondContact O-N 3.09Å
715	G	92.2	Very high	93.3	Very high	7 Å²	7	45.7 Å²	45.7	7%	0.072	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-41.6	174.7	0	0	0	0	0	113.3	W487 K488 T713 S719	W487-G715 PolarHBondContact O-N 2.68Å; K488-G715 WeakPolarHBondContact O-CA 3.5Å; T713-G715 VanDerWaalsContact C-N 3.28Å; T713-G715 PolarHBondContact O-N 3.47Å; G715-S719 WeakPolarHBondContact O-CB 3.35Å; G715-S719 PolarHBondContact O-N 2.67Å
716	M	93.6	Very high	93.1	Very high	80 Å²	80	44.8 Å²	44.8	39%	0.394	24%	0.235	S	C	.	.	H	α-helix	trans	-62.5	-46.9	172.9	-72.1	161.9	67.2	0	0	111.5	V712 T713 S719 M720	V712-M716 HydrophobicContact CG1-CB 4.13Å; V712-M716 HydrophobicContact CG2-CE 4.46Å; T713-M716 HydrophobicContact CG2-SD 4.15Å; T713-M716 WeakPolarHBondContact O-CB 3.48Å; T713-M716 PolarHBondContact O-N 3.17Å; T713-M716 VanDerWaalsContact OG1-CG 3.22Å; T713-M716 WeakPolarHBondContact OG1-CG 3.47Å; T713-M716 PolarHBondContact OG1-N 2.71Å; T713-M716 PolarHBondContact OG1-SD 3.45Å; M716-S719 WeakPolarHBondContact O-CB 3.35Å; M716-S719 PolarHBondContact O-N 3.43Å; M716-M720 HydrophobicContact CB-CE 4.49Å; M716-M720 WeakPolarHBondContact O-CG 3.45Å; M716-M720 PolarHBondContact O-N 3.02Å
717	L	95.1	Very high	92.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-42.2	179.6	-176.8	51.2	0	0	0	112.2	L495 I673 V676 I677 M707 V712 T713 L714 M720 I721 I739	L495-L717 HydrophobicContact CD1-CD2 4.26Å; L495-L717 HydrophobicContact CD2-CB 4.3Å; L495-L717 HydrophobicContact CD2-CD2 3.6Å; I673-L717 HydrophobicContact CG2-CD1 3.66Å; I673-L717 HydrophobicContact CG2-CD2 4.03Å; I673-L717 HydrophobicContact CG2-CG 3.81Å; V676-L717 HydrophobicContact CG1-CD2 4.24Å; I677-L717 HydrophobicContact CD1-CG 4.18Å; I677-L717 HydrophobicContact CG1-CD2 4.11Å; I677-L717 HydrophobicContact CG1-CG 4.07Å; M707-L717 HydrophobicContact CE-CD1 4.38Å; M707-L717 HydrophobicContact CE-CD2 4.26Å; M707-L717 HydrophobicContact SD-CD1 3.51Å; M707-L717 VanDerWaalsContact SD-CD1 3.51Å; M707-L717 HydrophobicContact SD-CD2 4.16Å; M707-L717 HydrophobicContact SD-CG 4.41Å; V712-L717 HydrophobicContact CG1-CB 4Å; T713-L717 PolarHBondContact O-N 2.6Å; L714-L717 PolarHBondContact O-N 3.23Å; L717-M720 PolarHBondContact O-N 2.87Å; L717-I721 PolarHBondContact O-N 3.25Å; L717-I721 VanDerWaalsContact O-N 3.07Å; L717-I739 HydrophobicContact CD1-CD1 4Å
718	F	93.9	Very high	92.6	Very high	14 Å²	14	51.6 Å²	51.6	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-43.3	172.4	176.4	-104.3	0	0	0	111.7	W487 K488 I632 M635 I677 L714 M720 I721 N722	W487-F718 HydrophobicContact CH2-CB 4.42Å; W487-F718 HydrophobicContact CH2-CD1 4.45Å; W487-F718 AromaticContact CH2-CD2 3.98Å; W487-F718 HydrophobicContact CH2-CD2 3.98Å; W487-F718 HydrophobicContact CH2-CE2 4.41Å; W487-F718 HydrophobicContact CH2-CG 4.01Å; W487-F718 HydrophobicContact CZ3-CB 3.84Å; W487-F718 HydrophobicContact CZ3-CD1 4.37Å; W487-F718 HydrophobicContact CZ3-CD2 4.26Å; W487-F718 AromaticContact CZ3-CG 3.89Å; W487-F718 HydrophobicContact CZ3-CG 3.89Å; K488-F718 HydrophobicContact CD-CD1 4.08Å; K488-F718 HydrophobicContact CD-CE1 3.78Å; K488-F718 HydrophobicContact CG-CD1 4Å; K488-F718 HydrophobicContact CG-CE1 4.22Å; I632-F718 HydrophobicContact CD1-CZ 4.4Å; I632-F718 HydrophobicContact CG1-CE2 4.16Å; I632-F718 HydrophobicContact CG1-CZ 3.97Å; M635-F718 HydrophobicContact CE-CE2 4.18Å; I677-F718 HydrophobicContact CD1-CB 4.17Å; L714-F718 WeakPolarHBondContact O-CB 3.46Å; L714-F718 PolarHBondContact O-N 3.09Å; F718-M720 PolarHBondContact O-N 2.85Å; F718-I721 WeakPolarHBondContact O-CG1 3.22Å; F718-I721 PolarHBondContact O-N 3.07Å; F718-N722 WeakPolarHBondContact O-CB 3.49Å; F718-N722 PolarHBondContact O-N 2.86Å
719	S	92.4	Very high	92.6	Very high	59 Å²	59	54.8 Å²	54.8	41%	0.413	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-38.2	175.6	-170.1	0	0	0	0	112.7	G715 M716 N723	G715-S719 WeakPolarHBondContact O-CB 3.35Å; G715-S719 PolarHBondContact O-N 2.67Å; M716-S719 WeakPolarHBondContact O-CB 3.35Å; M716-S719 PolarHBondContact O-N 3.43Å; S719-N723 WeakPolarHBondContact O-CB 3.34Å; S719-N723 PolarHBondContact O-N 3.24Å; S719-N723 PolarHBondContact O-ND2 3.02Å; S719-N723 PolarHBondContact OG-ND2 3.34Å
720	M	94.4	Very high	92.6	Very high	22 Å²	22	51.6 Å²	51.6	11%	0.108	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-48.8	175.4	-69.6	173.5	-168.5	0	0	111.8	V712 M716 L717 F718 N723 T724 I739 Y742 L743	V712-M720 HydrophobicContact CG2-CE 4.44Å; M716-M720 HydrophobicContact CB-CE 4.49Å; M716-M720 WeakPolarHBondContact O-CG 3.45Å; M716-M720 PolarHBondContact O-N 3.02Å; L717-M720 PolarHBondContact O-N 2.87Å; F718-M720 PolarHBondContact O-N 2.85Å; M720-N723 CarbonylContact O-C 3.44Å; M720-N723 PolarHBondContact O-N 3.45Å; M720-T724 PolarHBondContact O-N 3.17Å; M720-I739 HydrophobicContact CB-CG1 4.21Å; M720-I739 HydrophobicContact SD-CG2 4.14Å; M720-Y742 HydrophobicContact CB-CD2 4Å; M720-Y742 HydrophobicContact CB-CE2 4.38Å; M720-Y742 HydrophobicContact CG-CD2 3.84Å; M720-Y742 HydrophobicContact CG-CG 4Å; M720-L743 HydrophobicContact CE-CD2 3.97Å
721	I	94.7	Very high	92.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-70.6	-33.6	179.3	65.8	168	0	0	0	112.7	I631 L670 I673 I674 I677 L717 F718 N723 V735 I739	I631-I721 WeakPolarHBondContact CD1-O 3.47Å; I631-I721 HydrophobicContact CG2-CD1 3.61Å; I631-I721 HydrophobicContact CG2-CG1 4.13Å; L670-I721 HydrophobicContact CD1-CB 4.49Å; I673-I721 HydrophobicContact CB-CG2 4.35Å; I673-I721 HydrophobicContact CG2-CD1 4.38Å; I673-I721 HydrophobicContact CG2-CG2 3.57Å; I674-I721 HydrophobicContact CG1-CD1 4.11Å; I677-I721 HydrophobicContact CD1-CD1 3.44Å; I677-I721 VanDerWaalsContact CD1-CD1 3.44Å; I677-I721 HydrophobicContact CD1-CG1 4.1Å; L717-I721 PolarHBondContact O-N 3.25Å; L717-I721 VanDerWaalsContact O-N 3.07Å; F718-I721 WeakPolarHBondContact O-CG1 3.22Å; F718-I721 PolarHBondContact O-N 3.07Å; I721-N723 PolarHBondContact O-N 3.04Å; I721-V735 HydrophobicContact CG2-CG1 4.01Å; I721-I739 HydrophobicContact CG2-CD1 4.09Å
722	N	91.4	Very high	92.6	Very high	30 Å²	30	49 Å²	49	16%	0.16	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-3.8	178	-166	39.9	0	0	0	112.9	K628 F718	K628-N722 VanDerWaalsContact CB-OD1 3.31Å; K628-N722 WeakPolarHBondContact CB-OD1 3.43Å; K628-N722 WeakPolarHBondContact CD-OD1 3.31Å; K628-N722 WeakPolarHBondContact CE-O 3.38Å; K628-N722 WeakPolarHBondContact CG-OD1 3.28Å; K628-N722 PolarHBondContact NZ-O 3.06Å; F718-N722 WeakPolarHBondContact O-CB 3.49Å; F718-N722 PolarHBondContact O-N 2.86Å
723	N	90	Very high	92.7	Very high	66 Å²	66	50.2 Å²	50.2	35%	0.353	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	19.9	-179.4	-64.4	-57.5	0	0	0	113.6	K628 S719 M720 I721 G725 Y742	K628-N723 PolarHBondContact NZ-OD1 3.35Å; S719-N723 WeakPolarHBondContact O-CB 3.34Å; S719-N723 PolarHBondContact O-N 3.24Å; S719-N723 PolarHBondContact O-ND2 3.02Å; S719-N723 PolarHBondContact OG-ND2 3.34Å; M720-N723 CarbonylContact O-C 3.44Å; M720-N723 PolarHBondContact O-N 3.45Å; I721-N723 PolarHBondContact O-N 3.04Å; N723-G725 PolarHBondContact O-N 3.47Å; N723-Y742 PolarHBondContact O-OH 3.09Å
724	T	88.3	Confident	92.9	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.012	26%	0.26	C	S	.	.			trans	-57.1	-21	175.2	54.2	0	0	0	0	114.3	M720 Y734 R738	M720-T724 PolarHBondContact O-N 3.17Å; T724-Y734 PolarHBondContact O-OH 2.83Å; T724-Y734 VanDerWaalsContact O-OH 3.13Å; T724-R738 HydrophobicContact CG2-CB 4.04Å; T724-R738 HydrophobicContact CG2-CG 4.39Å; T724-R738 PolarHBondContact O-NE 3.49Å; T724-R738 PolarHBondContact O-NH1 2.71Å; T724-R738 PolarHBondContact O-NH2 2.9Å
725	G	89.2	Confident	93	Very high	38 Å²	38	51.2 Å²	51.2	39%	0.392	26%	0.26	S	S	.	.			trans	65.2	-171	-162.5	0	0	0	0	0	111.6	N723	N723-G725 PolarHBondContact O-N 3.47Å
726	L	91.9	Very high	93.3	Very high	88 Å²	88	51.4 Å²	51.4	46%	0.461	26%	0.258	S	S	.	.			trans	-108.1	144.5	-178	-56.5	178	0	0	0	110.8	T623 L626 Y734	T623-L726 HydrophobicContact CG2-CD1 3.98Å; T623-L726 HydrophobicContact CG2-CD2 4.03Å; T623-L726 HydrophobicContact CG2-CG 4.39Å; L626-L726 HydrophobicContact CB-CD2 3.97Å; L726-Y734 VanDerWaalsContact C-OH 3.28Å; L726-Y734 PolarHBondContact O-OH 3.27Å; L726-Y734 VanDerWaalsContact O-OH 3.08Å
727	P	92.4	Very high	93.3	Very high	11 Å²	11	51.6 Å²	51.6	7%	0.071	26%	0.261	C	S	.	.			trans	-77.9	142	176.9	30.6	-34.2	0	0	0	112	L619 Q622 L626 K729 Y734	L619-P727 HydrophobicContact CD1-CB 4.47Å; L619-P727 HydrophobicContact CD1-CG 3.95Å; Q622-P727 HydrophobicContact CG-CG 4.23Å; L626-P727 HydrophobicContact CD1-CG 4.37Å; P727-K729 VanDerWaalsContact C-N 3.31Å; P727-K729 WeakPolarHBondContact CB-O 3.11Å; P727-Y734 HydrophobicContact CB-CD1 4.49Å; P727-Y734 HydrophobicContact CB-CD2 3.89Å; P727-Y734 HydrophobicContact CB-CE1 4.42Å; P727-Y734 HydrophobicContact CB-CE2 3.79Å; P727-Y734 HydrophobicContact CB-CG 4.23Å
728	H	90.7	Very high	93.4	Very high	194 Å²	194	55.3 Å²	55.3	90%	0.898	28%	0.275	S	S	*	.	S	Bend	trans	-80	-12.9	170.9	-60.4	-56.5	0	0	0	113.7
729	K	93.5	Very high	93.5	Very high	161 Å²	161	54.7 Å²	54.7	70%	0.7	27%	0.272	S	S	*	.	S	Bend	trans	-154.1	143.9	176.8	65.9	-178.1	-176.3	178.6	0	108.2	P727 F731	P727-K729 VanDerWaalsContact C-N 3.31Å; P727-K729 WeakPolarHBondContact CB-O 3.11Å; K729-F731 PolarHBondContact O-N 2.67Å
730	H	94.1	Very high	93.6	Very high	78 Å²	78	53.6 Å²	53.6	36%	0.361	27%	0.265	S	S	.	.			trans	-57.2	130.6	177.9	163	-86.8	0	0	0	110.9	K618 L619	K618-H730 HydrophobicContact CB-CB 4.12Å; K618-H730 PolarHBondContact O-CD2 2.99Å; L619-H730 HydrophobicContact CB-CB 4.26Å
731	F	94.1	Very high	93.6	Very high	82 Å²	82	56.8 Å²	56.8	36%	0.36	29%	0.286	S	S	.	.			trans	-149.8	113.8	173.7	173.2	-117.4	0	0	0	109.8	Q622 K729 F733 Y734 D737	Q622-F731 PolarHBondContact NE2-O 2.87Å; K729-F731 PolarHBondContact O-N 2.67Å; F731-F733 VanDerWaalsContact C-N 3.26Å; F731-F733 HydrophobicContact CE1-CB 3.76Å; F731-F733 HydrophobicContact CE2-CB 4.44Å; F731-F733 HydrophobicContact CE2-CD2 4.47Å; F731-F733 HydrophobicContact CZ-CB 3.71Å; F731-F733 HydrophobicContact CZ-CD2 4.44Å; F731-F733 PolarHBondContact O-N 2.97Å; F731-F733 VanDerWaalsContact O-N 3.14Å; F731-Y734 VanDerWaalsContact CD1-N 3.35Å; F731-Y734 VanDerWaalsContact O-CB 3.23Å; F731-Y734 WeakPolarHBondContact O-CB 3.43Å; F731-Y734 PolarHBondContact O-N 3.2Å; F731-D737 HydrophobicContact CE1-CB 4.46Å; F731-D737 VanDerWaalsContact CE1-OD2 3.32Å; F731-D737 WeakPolarHBondContact CE1-OD2 3.37Å
732	E	92.3	Very high	93.4	Very high	80 Å²	80	60.3 Å²	60.3	37%	0.374	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-42.5	-173.2	-179	178.6	-161.5	0	0	113.3	P669 Y734	P669-E732 HydrophobicContact CG-CG 4.48Å; P669-E732 WeakPolarHBondContact CG-O 3.26Å; E732-Y734 VanDerWaalsContact C-N 3.31Å; E732-Y734 PolarHBondContact O-N 3.14Å
733	F	96.2	Very high	93.4	Very high	30 Å²	30	59 Å²	59	13%	0.132	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	13.2	-176.3	-60.1	-77	0	0	0	114.2	P669 L696 K699 F731 V735 F736 D737	P669-F733 HydrophobicContact CG-CD1 4.07Å; P669-F733 HydrophobicContact CG-CE1 4.22Å; L696-F733 HydrophobicContact CD1-CE1 3.56Å; L696-F733 HydrophobicContact CD1-CZ 4.03Å; K699-F733 HydrophobicContact CD-CD1 3.94Å; K699-F733 HydrophobicContact CD-CE1 3.35Å; K699-F733 HydrophobicContact CD-CE2 4.45Å; K699-F733 HydrophobicContact CD-CZ 3.68Å; K699-F733 VanDerWaalsContact NZ-CE2 3.33Å; F731-F733 VanDerWaalsContact C-N 3.26Å; F731-F733 HydrophobicContact CE1-CB 3.76Å; F731-F733 HydrophobicContact CE2-CB 4.44Å; F731-F733 HydrophobicContact CE2-CD2 4.47Å; F731-F733 HydrophobicContact CZ-CB 3.71Å; F731-F733 HydrophobicContact CZ-CD2 4.44Å; F731-F733 PolarHBondContact O-N 2.97Å; F731-F733 VanDerWaalsContact O-N 3.14Å; F733-V735 VanDerWaalsContact C-N 3.3Å; F733-V735 PolarHBondContact O-N 2.91Å; F733-F736 AromaticContact CD1-CD2 3.95Å; F733-F736 HydrophobicContact CD1-CD2 3.95Å; F733-F736 HydrophobicContact CD1-CE2 4.48Å; F733-F736 PolarHBondContact O-N 3.29Å; F733-D737 PolarHBondContact O-N 3.38Å
734	Y	96.4	Very high	93.3	Very high	34 Å²	34	58.1 Å²	58.1	13%	0.133	29%	0.291	C	S	.	.	H	α-helix	trans	-52.1	-44.8	-175.7	-176.5	-98.2	0	0	0	113	L626 T724 L726 P727 F731 E732 F736 D737 R738	L626-Y734 HydrophobicContact CD1-CD1 3.85Å; L626-Y734 HydrophobicContact CD1-CE1 3.94Å; T724-Y734 PolarHBondContact O-OH 2.83Å; T724-Y734 VanDerWaalsContact O-OH 3.13Å; L726-Y734 VanDerWaalsContact C-OH 3.28Å; L726-Y734 PolarHBondContact O-OH 3.27Å; L726-Y734 VanDerWaalsContact O-OH 3.08Å; P727-Y734 HydrophobicContact CB-CD1 4.49Å; P727-Y734 HydrophobicContact CB-CD2 3.89Å; P727-Y734 HydrophobicContact CB-CE1 4.42Å; P727-Y734 HydrophobicContact CB-CE2 3.79Å; P727-Y734 HydrophobicContact CB-CG 4.23Å; F731-Y734 VanDerWaalsContact CD1-N 3.35Å; F731-Y734 VanDerWaalsContact O-CB 3.23Å; F731-Y734 WeakPolarHBondContact O-CB 3.43Å; F731-Y734 PolarHBondContact O-N 3.2Å; E732-Y734 VanDerWaalsContact C-N 3.31Å; E732-Y734 PolarHBondContact O-N 3.14Å; Y734-F736 PolarHBondContact O-N 3.01Å; Y734-D737 PolarHBondContact O-N 3.16Å; Y734-R738 HydrophobicContact CD1-CG 4.05Å; Y734-R738 HydrophobicContact CE1-CG 3.74Å; Y734-R738 HydrophobicContact CE2-CG 4.33Å; Y734-R738 HydrophobicContact CG-CG 4.47Å; Y734-R738 WeakPolarHBondContact O-CB 3.37Å; Y734-R738 VanDerWaalsContact O-CG 3.29Å; Y734-R738 WeakPolarHBondContact O-CG 3.38Å; Y734-R738 PolarHBondContact O-N 3.32Å
735	V	96.4	Very high	92.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.9	-39.1	178.9	179.8	0	0	0	0	111.9	L626 L670 I721 F733 R738 I739	L626-V735 HydrophobicContact CD2-CG2 3.78Å; L670-V735 HydrophobicContact CB-CG2 4.05Å; L670-V735 HydrophobicContact CD1-CG1 4.34Å; L670-V735 HydrophobicContact CD1-CG2 4.14Å; I721-V735 HydrophobicContact CG2-CG1 4.01Å; F733-V735 VanDerWaalsContact C-N 3.3Å; F733-V735 PolarHBondContact O-N 2.91Å; V735-R738 PolarHBondContact O-N 2.97Å; V735-I739 HydrophobicContact CG1-CD1 3.9Å; V735-I739 WeakPolarHBondContact O-CB 3.5Å; V735-I739 VanDerWaalsContact O-CG1 3.28Å; V735-I739 WeakPolarHBondContact O-CG1 3.31Å; V735-I739 PolarHBondContact O-N 3.03Å
736	F	97.4	Very high	91.3	Very high	10 Å²	10	61.6 Å²	61.6	4%	0.044	31%	0.31	C	S	.	.	H	α-helix	trans	-69.1	-36.3	177	-74.6	3.4	0	0	0	112.3	P669 F672 I673 K699 C700 I703 F733 Y734 S740	P669-F736 HydrophobicContact CB-CD1 3.72Å; P669-F736 HydrophobicContact CB-CD2 4.32Å; P669-F736 HydrophobicContact CB-CE1 3.57Å; P669-F736 HydrophobicContact CB-CE2 4.19Å; P669-F736 HydrophobicContact CB-CG 4.1Å; P669-F736 HydrophobicContact CB-CZ 3.81Å; P669-F736 HydrophobicContact CG-CE2 4.31Å; P669-F736 HydrophobicContact CG-CZ 4.31Å; F672-F736 HydrophobicContact CD1-CE1 4.13Å; F672-F736 AromaticContact CD1-CZ 3.89Å; F672-F736 HydrophobicContact CD1-CZ 3.89Å; I673-F736 HydrophobicContact CD1-CE1 4.11Å; I673-F736 HydrophobicContact CG1-CD1 4.47Å; I673-F736 HydrophobicContact CG1-CE1 3.91Å; K699-F736 HydrophobicContact CB-CD2 4.44Å; K699-F736 HydrophobicContact CB-CE2 4.22Å; C700-F736 HydrophobicContact CB-CZ 4.49Å; I703-F736 HydrophobicContact CD1-CB 3.76Å; I703-F736 HydrophobicContact CD1-CD1 3.62Å; I703-F736 HydrophobicContact CD1-CD2 4.48Å; I703-F736 HydrophobicContact CD1-CE1 4.36Å; I703-F736 HydrophobicContact CD1-CG 3.7Å; I703-F736 HydrophobicContact CG2-CD1 4.26Å; I703-F736 HydrophobicContact CG2-CD2 4.42Å; I703-F736 HydrophobicContact CG2-CE1 4.02Å; I703-F736 HydrophobicContact CG2-CE2 4.19Å; I703-F736 HydrophobicContact CG2-CG 4.48Å; I703-F736 HydrophobicContact CG2-CZ 3.99Å; F733-F736 AromaticContact CD1-CD2 3.95Å; F733-F736 HydrophobicContact CD1-CD2 3.95Å; F733-F736 HydrophobicContact CD1-CE2 4.48Å; F733-F736 PolarHBondContact O-N 3.29Å; Y734-F736 PolarHBondContact O-N 3.01Å; F736-S740 WeakPolarHBondContact O-CB 3.46Å; F736-S740 PolarHBondContact O-N 3.29Å; F736-S740 PolarHBondContact O-OG 3Å
737	D	95.6	Very high	89.5	Confident	85 Å²	85	61.4 Å²	61.4	46%	0.455	31%	0.307	S	S	.	.	H	α-helix	trans	-69.2	-41.8	174.3	-82.3	19.5	0	0	0	111.5	F731 F733 Y734 S740 T741	F731-D737 HydrophobicContact CE1-CB 4.46Å; F731-D737 VanDerWaalsContact CE1-OD2 3.32Å; F731-D737 WeakPolarHBondContact CE1-OD2 3.37Å; F733-D737 PolarHBondContact O-N 3.38Å; Y734-D737 PolarHBondContact O-N 3.16Å; D737-S740 CarbonylContact O-C 3.59Å; D737-S740 PolarHBondContact O-N 3.09Å; D737-T741 PolarHBondContact O-N 2.71Å; D737-T741 PolarHBondContact O-OG1 2.98Å
738	R	95.5	Very high	87.3	Confident	78 Å²	78	66.2 Å²	66.2	29%	0.294	33%	0.332	S	S	.	.	H	α-helix	trans	-63.7	-46.4	175.5	-71	-56.7	-58.1	-123	0	111.9	T724 Y734 V735 S740 T741 Y742	T724-R738 HydrophobicContact CG2-CB 4.04Å; T724-R738 HydrophobicContact CG2-CG 4.39Å; T724-R738 PolarHBondContact O-NE 3.49Å; T724-R738 PolarHBondContact O-NH1 2.71Å; T724-R738 PolarHBondContact O-NH2 2.9Å; Y734-R738 HydrophobicContact CD1-CG 4.05Å; Y734-R738 HydrophobicContact CE1-CG 3.74Å; Y734-R738 HydrophobicContact CE2-CG 4.33Å; Y734-R738 HydrophobicContact CG-CG 4.47Å; Y734-R738 WeakPolarHBondContact O-CB 3.37Å; Y734-R738 VanDerWaalsContact O-CG 3.29Å; Y734-R738 WeakPolarHBondContact O-CG 3.38Å; Y734-R738 PolarHBondContact O-N 3.32Å; V735-R738 PolarHBondContact O-N 2.97Å; R738-S740 VanDerWaalsContact C-N 3.33Å; R738-S740 PolarHBondContact O-N 2.84Å; R738-T741 WeakPolarHBondContact O-CB 3.4Å; R738-T741 PolarHBondContact O-N 2.71Å; R738-Y742 WeakPolarHBondContact O-CD2 3.37Å; R738-Y742 PolarHBondContact O-N 3.19Å; R738-Y742 VanDerWaalsContact O-N 3.12Å
739	I	95.9	Very high	85.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.9	-46.2	171.4	-69.3	166.4	0	0	0	110	I673 I703 M707 L717 M720 I721 V735 T741 Y742 L743	I673-I739 HydrophobicContact CD1-CD1 4.19Å; I673-I739 HydrophobicContact CG1-CD1 4.03Å; I673-I739 HydrophobicContact CG2-CD1 4.44Å; I703-I739 HydrophobicContact CD1-CB 3.98Å; I703-I739 HydrophobicContact CD1-CD1 4.31Å; I703-I739 HydrophobicContact CD1-CG2 3.78Å; I703-I739 HydrophobicContact CG1-CG2 4.21Å; M707-I739 HydrophobicContact CG-CG2 4.32Å; M707-I739 HydrophobicContact SD-CG2 3.93Å; L717-I739 HydrophobicContact CD1-CD1 4Å; M720-I739 HydrophobicContact CB-CG1 4.21Å; M720-I739 HydrophobicContact SD-CG2 4.14Å; I721-I739 HydrophobicContact CG2-CD1 4.09Å; V735-I739 HydrophobicContact CG1-CD1 3.9Å; V735-I739 WeakPolarHBondContact O-CB 3.5Å; V735-I739 VanDerWaalsContact O-CG1 3.28Å; V735-I739 WeakPolarHBondContact O-CG1 3.31Å; V735-I739 PolarHBondContact O-N 3.03Å; I739-T741 PolarHBondContact O-N 3Å; I739-Y742 WeakPolarHBondContact O-CB 3.28Å; I739-Y742 PolarHBondContact O-N 3.48Å; I739-Y742 VanDerWaalsContact O-N 3.1Å; I739-L743 HydrophobicContact CG2-CD1 3.8Å; I739-L743 HydrophobicContact CG2-CG 4.22Å; I739-L743 VanDerWaalsContact O-CG 3.32Å; I739-L743 WeakPolarHBondContact O-CG 3.28Å; I739-L743 PolarHBondContact O-N 2.99Å
740	S	95.3	Very high	82.8	Confident	37 Å²	37	60.5 Å²	60.5	26%	0.259	31%	0.314	S	S	.	.	H	α-helix	trans	-62.3	-28.1	179.1	-69.3	0	0	0	0	114	R706 F736 D737 R738 S744	R706-S740 PolarHBondContact NH1-O 3.31Å; F736-S740 WeakPolarHBondContact O-CB 3.46Å; F736-S740 PolarHBondContact O-N 3.29Å; F736-S740 PolarHBondContact O-OG 3Å; D737-S740 CarbonylContact O-C 3.59Å; D737-S740 PolarHBondContact O-N 3.09Å; R738-S740 VanDerWaalsContact C-N 3.33Å; R738-S740 PolarHBondContact O-N 2.84Å; S740-S744 PolarHBondContact O-N 3.45Å
741	T	93.6	Very high	80.2	Confident	88 Å²	88	60.1 Å²	60.1	54%	0.54	32%	0.32	S	S	.	.	H	α-helix	trans	-70.8	-47.7	172.4	-53.9	0	0	0	0	110.5	D737 R738 I739 L743 S744 S745	D737-T741 PolarHBondContact O-N 2.71Å; D737-T741 PolarHBondContact O-OG1 2.98Å; R738-T741 WeakPolarHBondContact O-CB 3.4Å; R738-T741 PolarHBondContact O-N 2.71Å; I739-T741 PolarHBondContact O-N 3Å; T741-L743 VanDerWaalsContact C-N 3.31Å; T741-L743 PolarHBondContact O-N 2.9Å; T741-S744 PolarHBondContact O-N 3.37Å; T741-S744 VanDerWaalsContact O-N 3.1Å; T741-S745 PolarHBondContact O-N 3.44Å; T741-S745 PolarHBondContact O-OG 3.47Å
742	Y	91.1	Very high	77.6	Confident	74 Å²	74	60.2 Å²	60.2	29%	0.29	33%	0.331	S	S	.	.	H	α-helix	trans	-56	-45.6	175.5	-76.6	-64.9	0	0	0	111.7	M720 N723 R738 I739 S744 S745 S746	M720-Y742 HydrophobicContact CB-CD2 4Å; M720-Y742 HydrophobicContact CB-CE2 4.38Å; M720-Y742 HydrophobicContact CG-CD2 3.84Å; M720-Y742 HydrophobicContact CG-CG 4Å; N723-Y742 PolarHBondContact O-OH 3.09Å; R738-Y742 WeakPolarHBondContact O-CD2 3.37Å; R738-Y742 PolarHBondContact O-N 3.19Å; R738-Y742 VanDerWaalsContact O-N 3.12Å; I739-Y742 WeakPolarHBondContact O-CB 3.28Å; I739-Y742 PolarHBondContact O-N 3.48Å; I739-Y742 VanDerWaalsContact O-N 3.1Å; Y742-S744 PolarHBondContact O-N 2.97Å; Y742-S745 WeakPolarHBondContact CA-OG 3.45Å; Y742-S745 PolarHBondContact O-N 3.24Å; Y742-S745 PolarHBondContact O-OG 2.71Å; Y742-S746 PolarHBondContact O-N 3.15Å
743	L	91.3	Very high	75.3	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.016	35%	0.346	C	S	.	.	H	α-helix	trans	-68.7	-9.9	179.4	-61.5	174.6	0	0	0	115.1	R706 M707 K710 V712 M720 I739 T741 S746	R706-L743 HydrophobicContact CB-CD1 4.49Å; R706-L743 HydrophobicContact CG-CD1 4.06Å; R706-L743 PolarHBondContact NH2-O 2.96Å; M707-L743 HydrophobicContact CG-CD1 3.72Å; M707-L743 HydrophobicContact CG-CD2 4.45Å; K710-L743 HydrophobicContact CB-CD2 4.1Å; K710-L743 HydrophobicContact CG-CD2 4.39Å; V712-L743 HydrophobicContact CG2-CD2 3.5Å; M720-L743 HydrophobicContact CE-CD2 3.97Å; I739-L743 HydrophobicContact CG2-CD1 3.8Å; I739-L743 HydrophobicContact CG2-CG 4.22Å; I739-L743 VanDerWaalsContact O-CG 3.32Å; I739-L743 WeakPolarHBondContact O-CG 3.28Å; I739-L743 PolarHBondContact O-N 2.99Å; T741-L743 VanDerWaalsContact C-N 3.31Å; T741-L743 PolarHBondContact O-N 2.9Å; L743-S746 PolarHBondContact O-OG 3.32Å
744	S	88.9	Confident	72.6	Confident	47 Å²	47	67 Å²	67	33%	0.329	37%	0.37	S	S	.	.	H	α-helix	trans	-101	-36	168.5	-84.4	0	0	0	0	112.6	R706 S740 T741 Y742 S746 E747	R706-S744 PolarHBondContact NH2-OG 3.12Å; S740-S744 PolarHBondContact O-N 3.45Å; T741-S744 PolarHBondContact O-N 3.37Å; T741-S744 VanDerWaalsContact O-N 3.1Å; Y742-S744 PolarHBondContact O-N 2.97Å; S744-S746 PolarHBondContact O-N 3.02Å; S744-E747 WeakPolarHBondContact CA-OE2 3.24Å; S744-E747 VanDerWaalsContact O-CB 3.29Å; S744-E747 WeakPolarHBondContact O-CB 3.44Å; S744-E747 WeakPolarHBondContact O-CG 3.05Å; S744-E747 PolarHBondContact O-N 3.4Å; S744-E747 PolarHBondContact OG-OE2 3.47Å
745	S	75.2	Confident	69.6	Low	59 Å²	59	70 Å²	70	41%	0.413	40%	0.396	S	S	.	.	H	α-helix	trans	-61.3	-18.8	178.8	63.9	0	0	0	0	114.5	T741 Y742 E747	T741-S745 PolarHBondContact O-N 3.44Å; T741-S745 PolarHBondContact O-OG 3.47Å; Y742-S745 WeakPolarHBondContact CA-OG 3.45Å; Y742-S745 PolarHBondContact O-N 3.24Å; Y742-S745 PolarHBondContact O-OG 2.71Å; S745-E747 VanDerWaalsContact C-N 3.33Å
746	S	59.7	Low	66.9	Low	54 Å²	54	75.4 Å²	75.4	38%	0.378	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-21	170.7	47.1	0	0	0	0	114.1	Y742 L743 S744	Y742-S746 PolarHBondContact O-N 3.15Å; L743-S746 PolarHBondContact O-OG 3.32Å; S744-S746 PolarHBondContact O-N 3.02Å
747	E	54.5	Low	64	Low	84 Å²	84	80.1 Å²	80.1	39%	0.393	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-29.9	-174	-53.2	-177.2	120.1	0	0	111.8	K710 S744 S745 V749 S751	K710-E747 WeakPolarHBondContact CE-OE1 3.47Å; K710-E747 IonicContact NZ-OE1 3.15Å; K710-E747 PolarHBondContact NZ-OE1 2.9Å; S744-E747 WeakPolarHBondContact CA-OE2 3.24Å; S744-E747 VanDerWaalsContact O-CB 3.29Å; S744-E747 WeakPolarHBondContact O-CB 3.44Å; S744-E747 WeakPolarHBondContact O-CG 3.05Å; S744-E747 PolarHBondContact O-N 3.4Å; S744-E747 PolarHBondContact OG-OE2 3.47Å; S745-E747 VanDerWaalsContact C-N 3.33Å; E747-V749 VanDerWaalsContact C-N 3.33Å; E747-V749 PolarHBondContact O-N 2.65Å; E747-S751 WeakPolarHBondContact O-CB 2.9Å; E747-S751 PolarHBondContact O-N 2.99Å; E747-S751 PolarHBondContact O-OG 3.32Å
748	D	46.2	Very low	61.5	Low	113 Å²	113	82.7 Å²	82.7	60%	0.604	48%	0.484	S	S	*	.	H	α-helix	trans	-72.7	-22.3	178.4	-61.4	-46.7	0	0	0	113.2	S751 S752	D748-S751 WeakPolarHBondContact CA-OG 3.42Å; D748-S751 PolarHBondContact O-OG 3.22Å; D748-S752 WeakPolarHBondContact O-CB 3.39Å; D748-S752 PolarHBondContact O-N 3.35Å; D748-S752 PolarHBondContact O-OG 3.33Å
749	V	47.3	Very low	58.7	Low	82 Å²	82	84.2 Å²	84.2	50%	0.497	51%	0.506	S	S	.	.	H	α-helix	trans	-87.8	-18.6	-176.1	-176.9	0	0	0	0	112.9	E747 S752 K753	E747-V749 VanDerWaalsContact C-N 3.33Å; E747-V749 PolarHBondContact O-N 2.65Å; V749-S752 PolarHBondContact O-OG 3.1Å; V749-K753 WeakPolarHBondContact O-CD 3.31Å; V749-K753 WeakPolarHBondContact O-CE 3.47Å
750	E	41	Very low	55.9	Low	153 Å²	153	95.8 Å²	95.8	72%	0.715	55%	0.55	S	S	*	*	H	α-helix	trans	-96.9	-40.7	174.2	-64.7	-165.3	133.3	0	0	112	S752 K753	E750-S752 PolarHBondContact O-N 3.1Å; E750-K753 PolarHBondContact O-N 3.47Å
751	S	39.9	Very low	53.1	Low	70 Å²	70	102.5 Å²	102.5	49%	0.49	61%	0.608	S	S	.	*	H	α-helix	trans	-61.6	-28.5	175.1	54.9	0	0	0	0	113.4	E747 D748 K753 S754	E747-S751 WeakPolarHBondContact O-CB 2.9Å; E747-S751 PolarHBondContact O-N 2.99Å; E747-S751 PolarHBondContact O-OG 3.32Å; D748-S751 WeakPolarHBondContact CA-OG 3.42Å; D748-S751 PolarHBondContact O-OG 3.22Å; S751-K753 VanDerWaalsContact C-N 3.29Å; S751-K753 PolarHBondContact O-N 2.68Å; S751-S754 PolarHBondContact O-OG 3.09Å
752	S	40.5	Very low	51.1	Low	84 Å²	84	103.3 Å²	103.3	59%	0.587	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-8.4	173.3	50.2	0	0	0	0	114.7	D748 V749 E750	D748-S752 WeakPolarHBondContact O-CB 3.39Å; D748-S752 PolarHBondContact O-N 3.35Å; D748-S752 PolarHBondContact O-OG 3.33Å; V749-S752 PolarHBondContact O-OG 3.1Å; E750-S752 PolarHBondContact O-N 3.1Å
753	K	42.8	Very low	49	Very low	163 Å²	163	104.8 Å²	104.8	71%	0.709	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-9.7	-179.9	-69.9	177.9	-177.2	172.3	0	114.7	V749 E750 S751 S755	V749-K753 WeakPolarHBondContact O-CD 3.31Å; V749-K753 WeakPolarHBondContact O-CE 3.47Å; E750-K753 PolarHBondContact O-N 3.47Å; S751-K753 VanDerWaalsContact C-N 3.29Å; S751-K753 PolarHBondContact O-N 2.68Å; K753-S755 PolarHBondContact O-N 2.62Å
754	S	39.1	Very low	46.7	Very low	90 Å²	90	110.4 Å²	110.4	63%	0.629	66%	0.662	S	S	*	*	S	Bend	trans	-93.5	20.7	-175.2	62.2	0	0	0	0	114.9	S751 P756	S751-S754 PolarHBondContact O-OG 3.09Å; S754-P756 WeakPolarHBondContact O-CD 3.26Å
755	S	34.8	Very low	44.2	Very low	97 Å²	97	114.2 Å²	114.2	68%	0.678	68%	0.682	S	S	*	*			trans	-118.2	83.8	-177.4	-67.5	0	0	0	0	112.6	K753 S757	K753-S755 PolarHBondContact O-N 2.62Å; S755-S757 PolarHBondContact O-N 3.3Å
756	P	39.4	Very low	42.2	Very low	112 Å²	112	117.6 Å²	117.6	73%	0.727	70%	0.698	S	S	*	*			trans	-68.4	111.7	170.3	28.4	-32.8	0	0	0	109.9	S754 V758	S754-P756 WeakPolarHBondContact O-CD 3.26Å; P756-V758 PolarHBondContact O-N 2.68Å
757	S	37.2	Very low	41.1	Very low	110 Å²	110	121.9 Å²	121.9	77%	0.769	72%	0.72	S	S	*	*			trans	-71.4	94.9	-178.3	57.1	0	0	0	0	111.8	S755 S759	S755-S757 PolarHBondContact O-N 3.3Å; S757-S759 PolarHBondContact O-N 2.86Å
758	V	42.2	Very low	40.1	Very low	139 Å²	139	124.6 Å²	124.6	84%	0.842	74%	0.743	S	S	*	*			trans	-73.4	78.9	168.6	-175.3	0	0	0	0	109.3	P756	P756-V758 PolarHBondContact O-N 2.68Å
759	S	36.4	Very low	39.7	Very low	110 Å²	110	125.5 Å²	125.5	77%	0.769	75%	0.754	S	S	*	*			trans	-70.8	142	165.9	53.1	0	0	0	0	110.1	S757	S757-S759 PolarHBondContact O-N 2.86Å
760	R	38.4	Very low	39	Very low	243 Å²	243	129.1 Å²	129.1	92%	0.917	78%	0.775	S	S	*	*			trans	-131.3	103.1	-168.9	-173.2	-173.5	-168.3	179.4	5.3	110.4
761	A	36.4	Very low	38.8	Very low	178 Å²	178	126.9 Å²	126.9	100%	1.471	78%	0.781	S	S	*	*			trans	-150	0	168.4	0	0	0	0	0	108

Retrieved 761 of 761 residues in 439.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).