G4V9S3_SCHMA Loading...

Putative membrane traffic protein

Plays a role in endocytosis and regulates internalization of plasma membrane proteins. Overexpression impairs internalization of SLC2A1/GLUT1 and TRPV4 and increases the levels of SLC2A1/GLUT1 and TRPV4 at the cell membrane. Inhibits the TRPV4 calcium channel activity.

AlphaFold DB , UniProt , Accession G4V9S3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 495 aa.

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(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	35.8	Very low	39	Very low	244 Å²	244	147.6 Å²	147.6	100%	1.202	78%	0.784	S	S	*	*				0	116.3	0	-93.9	-173.5	171.8	0	0	109.8
2	V	34.8	Very low	39.4	Very low	145 Å²	145	145.4 Å²	145.4	88%	0.879	79%	0.79	S	S	*	*			trans	0.6	125.7	166.7	-166.9	0	0	0	0	118.6
3	G	37.9	Very low	40.4	Very low	52 Å²	52	141.3 Å²	141.3	54%	0.536	78%	0.778	S	S	.	*			trans	-176.5	61.9	167.6	0	0	0	0	0	112.5	G5	G3-G5 PolarHBondContact O-N 3.04Å; G3-G5 VanDerWaalsContact O-N 3.07Å
4	N	38.5	Very low	41.9	Very low	152 Å²	152	141.6 Å²	141.6	81%	0.813	78%	0.779	S	S	*	*			trans	-39.9	111.1	-176.8	-71.9	4	0	0	0	112.3	E6	N4-E6 PolarHBondContact O-N 3.15Å
5	G	42.1	Very low	43.6	Very low	60 Å²	60	136.4 Å²	136.4	62%	0.619	76%	0.761	S	S	*	*			trans	-89.6	93.7	170.2	0	0	0	0	0	109.4	G3 Y7	G3-G5 PolarHBondContact O-N 3.04Å; G3-G5 VanDerWaalsContact O-N 3.07Å; G5-Y7 PolarHBondContact O-N 3.14Å
6	E	40.6	Very low	46.2	Very low	180 Å²	180	130.2 Å²	130.2	84%	0.841	73%	0.73	S	S	*	*			trans	-65.5	77.6	167.8	-68	174.1	163.3	0	0	110.2	N4 E8	N4-E6 PolarHBondContact O-N 3.15Å; E6-E8 VanDerWaalsContact C-N 3.28Å; E6-E8 PolarHBondContact O-N 3.05Å
7	Y	44	Very low	49	Very low	211 Å²	211	125.7 Å²	125.7	83%	0.827	71%	0.709	S	S	*	*			trans	-92.7	67.6	156.5	-83.1	-82.8	0	0	0	108.1	G5 D9	G5-Y7 PolarHBondContact O-N 3.14Å; Y7-D9 PolarHBondContact O-N 3.42Å
8	E	41.9	Very low	51.6	Low	141 Å²	141	121.3 Å²	121.3	66%	0.659	68%	0.681	S	S	*	*			trans	-66	113.6	164.2	-71.3	-163.8	146.1	0	0	108.8	E6 Q10	E6-E8 VanDerWaalsContact C-N 3.28Å; E6-E8 PolarHBondContact O-N 3.05Å; E8-Q10 HydrophobicContact CB-CG 4Å; E8-Q10 PolarHBondContact O-N 3.32Å; E8-Q10 PolarHBondContact OE2-NE2 2.83Å
9	D	36.8	Very low	54	Low	171 Å²	171	120.5 Å²	120.5	91%	0.914	67%	0.667	S	S	*	*			trans	-75.6	63.6	173	-153.9	0.5	0	0	0	109.8	Y7 N11	Y7-D9 PolarHBondContact O-N 3.42Å; D9-N11 VanDerWaalsContact C-N 3.35Å; D9-N11 PolarHBondContact O-N 3.34Å
10	Q	41	Very low	56	Low	139 Å²	139	119.5 Å²	119.5	65%	0.65	66%	0.656	S	S	*	*			trans	-71.2	90.3	178.2	-71.9	-159.6	11.1	0	0	110.7	E8 S12	E8-Q10 HydrophobicContact CB-CG 4Å; E8-Q10 PolarHBondContact O-N 3.32Å; E8-Q10 PolarHBondContact OE2-NE2 2.83Å; Q10-S12 PolarHBondContact O-N 2.65Å
11	N	35.6	Very low	57.7	Low	129 Å²	129	116 Å²	116	69%	0.69	64%	0.641	S	S	*	*			trans	33	94.6	136.6	-155.5	-3.5	0	0	0	114.8	D9 S13	D9-N11 VanDerWaalsContact C-N 3.35Å; D9-N11 PolarHBondContact O-N 3.34Å; N11-S13 PolarHBondContact O-N 3.22Å
12	S	44.4	Very low	60.5	Low	121 Å²	121	112.2 Å²	112.2	85%	0.846	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	35.1	-162.3	-153	0	0	0	0	117.4	Q10	Q10-S12 PolarHBondContact O-N 2.65Å
13	S	52.4	Low	63.4	Low	92 Å²	92	107.6 Å²	107.6	64%	0.643	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	-14.9	177	55.1	0	0	0	0	114.2	N11	N11-S13 PolarHBondContact O-N 3.22Å
14	N	60.7	Low	66.2	Low	146 Å²	146	105.2 Å²	105.2	78%	0.781	56%	0.556	S	S	*	*	S	Bend	trans	-114.5	6.4	179.2	-84.2	-17.9	0	0	0	114.3	S16	N14-S16 PolarHBondContact O-N 2.89Å; N14-S16 VanDerWaalsContact O-N 3.15Å
15	A	67.2	Low	68.9	Low	63 Å²	63	103 Å²	103	52%	0.521	54%	0.541	S	S	.	.			trans	-66.4	114.5	177.1	0	0	0	0	0	110.9
16	S	85.4	Confident	71.5	Confident	37 Å²	37	107 Å²	107	26%	0.259	54%	0.537	S	S	.	.			trans	-55.8	139.7	173.7	41.2	0	0	0	0	111.6	N14 E23 R26	N14-S16 PolarHBondContact O-N 2.89Å; N14-S16 VanDerWaalsContact O-N 3.15Å; S16-E23 WeakPolarHBondContact CB-OE2 3.26Å; S16-E23 PolarHBondContact OG-OE2 3.26Å; S16-R26 PolarHBondContact OG-NH2 3.13Å
17	S	93.9	Very high	74.2	Confident	54 Å²	54	99.2 Å²	99.2	38%	0.378	50%	0.502	S	S	.	.			trans	-74.7	139.6	-173.9	-168.4	0	0	0	0	111.3	W19 E20 E23	S17-W19 PolarHBondContact O-N 3.46Å; S17-E20 WeakPolarHBondContact CB-OE1 3.4Å; S17-E20 PolarHBondContact N-OE1 3.02Å; S17-E20 VanDerWaalsContact O-CB 3.3Å; S17-E20 WeakPolarHBondContact O-CB 3.49Å; S17-E20 PolarHBondContact O-N 3.39Å; S17-E23 VanDerWaalsContact O-CB 3.24Å; S17-E23 WeakPolarHBondContact O-CB 3.49Å; S17-E23 WeakPolarHBondContact O-CG 3.4Å
18	F	96.4	Very high	76.8	Confident	46 Å²	46	89.2 Å²	89.2	20%	0.202	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-31.2	171.5	169.3	-95.9	0	0	0	113.6	E20 F140 M228 F232	F18-E20 VanDerWaalsContact C-N 3.28Å; F18-E20 PolarHBondContact O-N 2.96Å; F18-F140 HydrophobicContact CE2-CE1 4.19Å; F18-F140 HydrophobicContact CE2-CZ 4.42Å; F18-F140 AromaticContact CZ-CE1 3.98Å; F18-F140 HydrophobicContact CZ-CE1 3.98Å; F18-M228 HydrophobicContact CE1-CB 4.4Å; F18-M228 HydrophobicContact CE1-CE 4.12Å; F18-M228 HydrophobicContact CE2-CE 4.42Å; F18-M228 HydrophobicContact CZ-CE 3.79Å; F18-F232 AromaticContact CE2-CD2 3.96Å; F18-F232 HydrophobicContact CE2-CD2 3.96Å; F18-F232 HydrophobicContact CZ-CB 4.17Å; F18-F232 HydrophobicContact CZ-CD2 4.1Å; F18-F232 HydrophobicContact CZ-CG 4.4Å
19	W	96.3	Very high	79.4	Confident	107 Å²	107	87.9 Å²	87.9	41%	0.405	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-11.4	-179.3	-58.5	111.1	0	0	0	114.5	S17 Y224 V225 M228	S17-W19 PolarHBondContact O-N 3.46Å; W19-Y224 HydrophobicContact CE3-CE1 4.07Å; W19-Y224 PolarHBondContact O-OH 3.49Å; W19-V225 HydrophobicContact CH2-CG1 4.04Å; W19-V225 HydrophobicContact CZ3-CB 4.43Å; W19-V225 HydrophobicContact CZ3-CG1 4.39Å; W19-V225 HydrophobicContact CZ3-CG2 4.24Å; W19-M228 HydrophobicContact CZ3-CB 3.92Å
20	E	93.6	Very high	82.3	Confident	99 Å²	99	83 Å²	83	46%	0.463	42%	0.424	S	S	.	.	S	Bend	trans	-71.3	161.8	172.4	-67.4	172.4	-130.3	0	0	111.3	S17 F18 R22 E23 Q144	S17-E20 WeakPolarHBondContact CB-OE1 3.4Å; S17-E20 PolarHBondContact N-OE1 3.02Å; S17-E20 VanDerWaalsContact O-CB 3.3Å; S17-E20 WeakPolarHBondContact O-CB 3.49Å; S17-E20 PolarHBondContact O-N 3.39Å; F18-E20 VanDerWaalsContact C-N 3.28Å; F18-E20 PolarHBondContact O-N 2.96Å; E20-R22 PolarHBondContact O-N 3.5Å; E20-E23 HydrophobicContact CB-CB 4.48Å; E20-E23 HydrophobicContact CB-CG 3.82Å; E20-Q144 PolarHBondContact O-NE2 2.86Å; E20-Q144 VanDerWaalsContact O-NE2 3.1Å
21	C	92.5	Very high	84.9	Confident	48 Å²	48	76.6 Å²	76.6	32%	0.324	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	124.2	-177.2	-75.8	0	0	0	0	110.7	E23 Q144	C21-E23 VanDerWaalsContact C-N 3.34Å; C21-E23 PolarHBondContact O-N 2.74Å; C21-Q144 VanDerWaalsContact CA-OE1 3.26Å
22	R	93.9	Very high	87.8	Confident	163 Å²	163	73.3 Å²	73.3	62%	0.615	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	0.2	-179.3	-59.6	177.8	159.6	-176.2	-12.3	118.2	E20 Y24 H25 E141	E20-R22 PolarHBondContact O-N 3.5Å; R22-Y24 HydrophobicContact CB-CE1 4.47Å; R22-Y24 HydrophobicContact CG-CE1 4.42Å; R22-Y24 PolarHBondContact O-N 3.05Å; R22-H25 WeakPolarHBondContact O-CB 3.14Å; R22-H25 PolarHBondContact O-N 2.93Å; R22-E141 IonicContact NH2-OE1 2.72Å
23	E	96.2	Very high	90.3	Very high	49 Å²	49	69.1 Å²	69.1	23%	0.229	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-14.4	178.5	-68.8	-55.5	122.9	0	0	114.3	S16 S17 E20 C21 H25 R26	S16-E23 WeakPolarHBondContact CB-OE2 3.26Å; S16-E23 PolarHBondContact OG-OE2 3.26Å; S17-E23 VanDerWaalsContact O-CB 3.24Å; S17-E23 WeakPolarHBondContact O-CB 3.49Å; S17-E23 WeakPolarHBondContact O-CG 3.4Å; E20-E23 HydrophobicContact CB-CB 4.48Å; E20-E23 HydrophobicContact CB-CG 3.82Å; C21-E23 VanDerWaalsContact C-N 3.34Å; C21-E23 PolarHBondContact O-N 2.74Å; E23-H25 PolarHBondContact O-N 3.41Å; E23-H25 VanDerWaalsContact O-N 3.13Å; E23-R26 PolarHBondContact O-N 3.28Å; E23-R26 IonicContact OE2-CZ 3.7Å; E23-R26 IonicContact OE2-NE 2.66Å; E23-R26 PolarHBondContact OE2-NE 2.86Å; E23-R26 IonicContact OE2-NH2 3.11Å; E23-R26 PolarHBondContact OE2-NH2 2.92Å
24	Y	97.3	Very high	92.5	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.008	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.6	166.4	68	-104.8	0	0	0	113.3	R22 R26 T27 V28 E137 F140 E141 M228	R22-Y24 HydrophobicContact CB-CE1 4.47Å; R22-Y24 HydrophobicContact CG-CE1 4.42Å; R22-Y24 PolarHBondContact O-N 3.05Å; Y24-R26 PolarHBondContact O-N 3.44Å; Y24-R26 VanDerWaalsContact O-N 3.15Å; Y24-T27 WeakPolarHBondContact O-CA 3.24Å; Y24-T27 VanDerWaalsContact O-CB 3.24Å; Y24-T27 WeakPolarHBondContact O-CB 3.44Å; Y24-T27 PolarHBondContact O-N 3.02Å; Y24-V28 HydrophobicContact CD2-CG2 3.99Å; Y24-V28 HydrophobicContact CE2-CG2 4.37Å; Y24-V28 PolarHBondContact O-N 2.84Å; Y24-E137 VanDerWaalsContact CE2-OE1 3.23Å; Y24-E137 WeakPolarHBondContact CE2-OE1 3.45Å; Y24-E137 PolarHBondContact OH-OE1 2.83Å; Y24-F140 HydrophobicContact CD1-CB 3.86Å; Y24-F140 HydrophobicContact CD1-CG 4.27Å; Y24-F140 HydrophobicContact CD2-CB 3.35Å; Y24-F140 HydrophobicContact CD2-CD1 4.29Å; Y24-F140 AromaticContact CD2-CD2 3.43Å; Y24-F140 HydrophobicContact CD2-CD2 3.43Å; Y24-F140 VanDerWaalsContact CD2-CD2 3.43Å; Y24-F140 HydrophobicContact CD2-CE2 4.25Å; Y24-F140 AromaticContact CD2-CG 3.46Å; Y24-F140 HydrophobicContact CD2-CG 3.46Å; Y24-F140 VanDerWaalsContact CD2-CG 3.46Å; Y24-F140 HydrophobicContact CE1-CB 3.89Å; Y24-F140 HydrophobicContact CE2-CB 3.45Å; Y24-F140 VanDerWaalsContact CE2-CB 3.45Å; Y24-F140 HydrophobicContact CE2-CD2 4.15Å; Y24-F140 HydrophobicContact CE2-CG 4.08Å; Y24-F140 HydrophobicContact CG-CB 3.62Å; Y24-F140 HydrophobicContact CG-CD1 4Å; Y24-F140 AromaticContact CG-CD2 3.95Å; Y24-F140 HydrophobicContact CG-CD2 3.95Å; Y24-F140 AromaticContact CG-CG 3.62Å; Y24-F140 HydrophobicContact CG-CG 3.62Å; Y24-E141 WeakPolarHBondContact OH-CG 3.49Å; Y24-M228 HydrophobicContact CD1-CE 3.95Å; Y24-M228 HydrophobicContact CG-CE 4.32Å
25	H	95.9	Very high	94.2	Very high	105 Å²	105	60 Å²	60	49%	0.486	29%	0.291	S	S	.	.	H	α-helix	trans	-56.4	-29.7	178.3	-179.3	51.4	0	0	0	112.8	R22 E23 T27 V28 K29 E137	R22-H25 WeakPolarHBondContact O-CB 3.14Å; R22-H25 PolarHBondContact O-N 2.93Å; E23-H25 PolarHBondContact O-N 3.41Å; E23-H25 VanDerWaalsContact O-N 3.13Å; H25-T27 VanDerWaalsContact C-N 3.27Å; H25-T27 PolarHBondContact O-N 3.25Å; H25-V28 PolarHBondContact O-N 3.48Å; H25-K29 WeakPolarHBondContact NE2-CE 3.41Å; H25-K29 WeakPolarHBondContact O-CB 3.27Å; H25-K29 PolarHBondContact O-N 3.39Å; H25-E137 IonicContact ND1-OE2 2.73Å
26	R	95.9	Very high	95.7	Very high	144 Å²	144	61.8 Å²	61.8	54%	0.543	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-38.7	172.5	-58.8	178.4	-173.5	-132.6	1.6	111.6	S16 E23 Y24	S16-R26 PolarHBondContact OG-NH2 3.13Å; E23-R26 PolarHBondContact O-N 3.28Å; E23-R26 IonicContact OE2-CZ 3.7Å; E23-R26 IonicContact OE2-NE 2.66Å; E23-R26 PolarHBondContact OE2-NE 2.86Å; E23-R26 IonicContact OE2-NH2 3.11Å; E23-R26 PolarHBondContact OE2-NH2 2.92Å; Y24-R26 PolarHBondContact O-N 3.44Å; Y24-R26 VanDerWaalsContact O-N 3.15Å
27	T	97.6	Very high	96.3	Very high	17 Å²	17	63.8 Å²	63.8	10%	0.104	29%	0.294	C	S	.	.	H	α-helix	trans	-71.3	-40.3	175.9	-50	0	0	0	0	111.6	Y24 H25 R30 F140 F232 T235	Y24-T27 WeakPolarHBondContact O-CA 3.24Å; Y24-T27 VanDerWaalsContact O-CB 3.24Å; Y24-T27 WeakPolarHBondContact O-CB 3.44Å; Y24-T27 PolarHBondContact O-N 3.02Å; H25-T27 VanDerWaalsContact C-N 3.27Å; H25-T27 PolarHBondContact O-N 3.25Å; T27-R30 VanDerWaalsContact O-CB 3.28Å; T27-R30 WeakPolarHBondContact O-CB 3.36Å; T27-R30 PolarHBondContact O-N 3.17Å; T27-F140 HydrophobicContact CG2-CZ 4.44Å; T27-F232 HydrophobicContact CG2-CD2 3.97Å; T27-F232 HydrophobicContact CG2-CE2 4.02Å; T27-T235 HydrophobicContact CG2-CG2 4.18Å; T27-T235 WeakPolarHBondContact CG2-OG1 3.44Å
28	V	97.6	Very high	96.5	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-45.8	176.7	175.8	0	0	0	0	111.1	Y24 H25 R30 V31 T133 F136 E137 F140	Y24-V28 HydrophobicContact CD2-CG2 3.99Å; Y24-V28 HydrophobicContact CE2-CG2 4.37Å; Y24-V28 PolarHBondContact O-N 2.84Å; H25-V28 PolarHBondContact O-N 3.48Å; V28-R30 PolarHBondContact O-N 3.5Å; V28-R30 VanDerWaalsContact O-N 3.07Å; V28-V31 WeakPolarHBondContact O-CB 3.49Å; V28-V31 PolarHBondContact O-N 2.89Å; V28-T133 HydrophobicContact CG1-CG2 3.55Å; V28-F136 HydrophobicContact CG2-CB 4.32Å; V28-E137 HydrophobicContact CG1-CB 4.3Å; V28-F140 HydrophobicContact CG2-CD2 3.64Å; V28-F140 HydrophobicContact CG2-CE2 3.84Å
29	K	96.6	Very high	96.6	Very high	113 Å²	113	62 Å²	62	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-55.1	-24.9	174.7	-85.4	179.3	158.5	-179.1	0	114.3	H25 V31 D32 A33	H25-K29 WeakPolarHBondContact NE2-CE 3.41Å; H25-K29 WeakPolarHBondContact O-CB 3.27Å; H25-K29 PolarHBondContact O-N 3.39Å; K29-V31 PolarHBondContact O-N 3.29Å; K29-D32 PolarHBondContact O-N 3.47Å; K29-A33 PolarHBondContact O-N 2.89Å
30	R	97.4	Very high	96.7	Very high	68 Å²	68	61 Å²	61	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-29	176	-168.7	173.6	65.6	-157.4	-0.2	112.1	T27 V28 A33 A34 T235 Q236 E239	T27-R30 VanDerWaalsContact O-CB 3.28Å; T27-R30 WeakPolarHBondContact O-CB 3.36Å; T27-R30 PolarHBondContact O-N 3.17Å; V28-R30 PolarHBondContact O-N 3.5Å; V28-R30 VanDerWaalsContact O-N 3.07Å; R30-A33 PolarHBondContact O-N 3.43Å; R30-A34 VanDerWaalsContact O-CB 3.24Å; R30-A34 WeakPolarHBondContact O-CB 3.35Å; R30-A34 PolarHBondContact O-N 3.23Å; R30-T235 PolarHBondContact NH2-O 3.21Å; R30-Q236 VanDerWaalsContact CZ-OE1 3.28Å; R30-E239 IonicContact NE-OE2 2.85Å
31	V	97.1	Very high	96.9	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.03	26%	0.262	C	S	.	.	H	α-helix	trans	-68.5	-43.2	177.1	-177.3	0	0	0	0	111.2	V28 K29 A34 Y35 F120 L130 E132 T133 F136 F238	V28-V31 WeakPolarHBondContact O-CB 3.49Å; V28-V31 PolarHBondContact O-N 2.89Å; K29-V31 PolarHBondContact O-N 3.29Å; V31-A34 WeakPolarHBondContact O-CB 3.36Å; V31-A34 PolarHBondContact O-N 3.1Å; V31-Y35 PolarHBondContact O-N 3.33Å; V31-Y35 VanDerWaalsContact O-N 3.07Å; V31-F120 HydrophobicContact CG1-CD1 4.37Å; V31-F120 HydrophobicContact CG1-CE1 4.07Å; V31-L130 HydrophobicContact CG1-CD1 4.29Å; V31-E132 HydrophobicContact CG1-CB 3.91Å; V31-T133 WeakPolarHBondContact CG1-OG1 3.38Å; V31-F136 HydrophobicContact CG2-CD2 3.91Å; V31-F136 HydrophobicContact CG2-CE2 4.15Å; V31-F238 HydrophobicContact CG1-CE1 3.96Å; V31-F238 HydrophobicContact CG1-CZ 4.4Å; V31-F238 HydrophobicContact CG2-CD1 4.41Å; V31-F238 HydrophobicContact CG2-CE1 4.38Å
32	D	95.7	Very high	97.2	Very high	59 Å²	59	54.9 Å²	54.9	32%	0.316	25%	0.25	S	S	.	.	H	α-helix	trans	-68	-38.3	175.6	-56	-46.3	0	0	0	111.3	K29 Y35 K36 T133	K29-D32 PolarHBondContact O-N 3.47Å; D32-Y35 PolarHBondContact O-N 2.91Å; D32-K36 PolarHBondContact O-N 3.25Å; D32-T133 WeakPolarHBondContact OD1-CB 3.5Å; D32-T133 WeakPolarHBondContact OD1-CG2 2.98Å; D32-T133 PolarHBondContact OD1-OG1 3.15Å; D32-T133 WeakPolarHBondContact OD2-CG2 3.27Å
33	A	97.1	Very high	97.5	Very high	34 Å²	34	51.2 Å²	51.2	28%	0.281	24%	0.243	S	C	.	.	H	α-helix	trans	-63.4	-41.9	173.7	0	0	0	0	0	112.1	K29 R30 Y35 K36 L37	K29-A33 PolarHBondContact O-N 2.89Å; R30-A33 PolarHBondContact O-N 3.43Å; A33-Y35 PolarHBondContact O-N 2.88Å; A33-K36 PolarHBondContact O-N 2.83Å; A33-L37 WeakPolarHBondContact O-CB 3.48Å; A33-L37 VanDerWaalsContact O-CG 3.32Å; A33-L37 WeakPolarHBondContact O-CG 3.4Å; A33-L37 PolarHBondContact O-N 2.95Å
34	A	97.8	Very high	97.6	Very high	2 Å²	2	54.5 Å²	54.5	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-43.6	174.8	0	0	0	0	0	112.5	R30 V31 L37 C38 F120 R242	R30-A34 VanDerWaalsContact O-CB 3.24Å; R30-A34 WeakPolarHBondContact O-CB 3.35Å; R30-A34 PolarHBondContact O-N 3.23Å; V31-A34 WeakPolarHBondContact O-CB 3.36Å; V31-A34 PolarHBondContact O-N 3.1Å; A34-L37 PolarHBondContact O-N 3.1Å; A34-C38 PolarHBondContact O-N 3.22Å; A34-C38 PolarHBondContact O-SG 2.98Å; A34-F120 HydrophobicContact CB-CE1 4.17Å; A34-F120 HydrophobicContact CB-CZ 3.74Å; A34-R242 HydrophobicContact CB-CG 4.45Å
35	Y	97.5	Very high	97.6	Very high	43 Å²	43	54.6 Å²	54.6	17%	0.169	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-42.9	173.3	176.2	-97.5	0	0	0	112.1	V31 D32 A33 C38 N39 Q116 F120 K122 L130	V31-Y35 PolarHBondContact O-N 3.33Å; V31-Y35 VanDerWaalsContact O-N 3.07Å; D32-Y35 PolarHBondContact O-N 2.91Å; A33-Y35 PolarHBondContact O-N 2.88Å; Y35-C38 PolarHBondContact O-N 3.15Å; Y35-N39 WeakPolarHBondContact CE1-ND2 3.5Å; Y35-N39 PolarHBondContact O-ND2 3.05Å; Y35-Q116 HydrophobicContact CD2-CG 3.82Å; Y35-Q116 HydrophobicContact CE2-CG 3.72Å; Y35-Q116 PolarHBondContact O-NE2 2.91Å; Y35-Q116 VanDerWaalsContact O-NE2 3.1Å; Y35-F120 HydrophobicContact CD2-CB 3.62Å; Y35-F120 HydrophobicContact CD2-CD1 4.41Å; Y35-F120 AromaticContact CD2-CD2 3.88Å; Y35-F120 HydrophobicContact CD2-CD2 3.88Å; Y35-F120 AromaticContact CD2-CG 3.74Å; Y35-F120 HydrophobicContact CD2-CG 3.74Å; Y35-F120 HydrophobicContact CE2-CB 4.27Å; Y35-F120 HydrophobicContact CG-CG 4.41Å; Y35-K122 VanDerWaalsContact CZ-CE 3.42Å; Y35-K122 WeakPolarHBondContact OH-CE 3.3Å; Y35-K122 PolarHBondContact OH-NZ 3.28Å; Y35-L130 HydrophobicContact CD1-CD2 4.49Å; Y35-L130 HydrophobicContact CD2-CD2 4.12Å; Y35-L130 HydrophobicContact CG-CD1 3.95Å; Y35-L130 HydrophobicContact CG-CD2 4.11Å
36	K	97.3	Very high	97.8	Very high	102 Å²	102	52.5 Å²	52.5	44%	0.443	25%	0.25	S	S	.	.	H	α-helix	trans	-60.7	-48.6	175.5	-174.8	178.8	175.1	-177.1	0	111.2	D32 A33 C38 N39 E40	D32-K36 PolarHBondContact O-N 3.25Å; A33-K36 PolarHBondContact O-N 2.83Å; K36-C38 PolarHBondContact O-N 3.23Å; K36-N39 WeakPolarHBondContact O-CA 3.49Å; K36-N39 WeakPolarHBondContact O-CB 3.3Å; K36-N39 PolarHBondContact O-N 3.32Å; K36-E40 WeakPolarHBondContact CE-OE1 3.46Å; K36-E40 HydrophobicContact CG-CG 4.22Å; K36-E40 IonicContact NZ-OE1 2.66Å; K36-E40 PolarHBondContact O-N 3.2Å
37	L	98.4	Very high	97.9	Very high	78 Å²	78	51.1 Å²	51.1	41%	0.408	25%	0.25	S	S	.	.	H	α-helix	trans	-56.6	-32.2	-179.7	-75.5	168.8	0	0	0	113.3	A33 A34 N39 L41 F246	A33-L37 WeakPolarHBondContact O-CB 3.48Å; A33-L37 VanDerWaalsContact O-CG 3.32Å; A33-L37 WeakPolarHBondContact O-CG 3.4Å; A33-L37 PolarHBondContact O-N 2.95Å; A34-L37 PolarHBondContact O-N 3.1Å; L37-N39 VanDerWaalsContact C-N 3.34Å; L37-L41 VanDerWaalsContact O-CB 3.28Å; L37-L41 WeakPolarHBondContact O-CB 3.4Å; L37-L41 PolarHBondContact O-N 3.01Å; L37-F246 HydrophobicContact CB-CE2 4.17Å; L37-F246 HydrophobicContact CB-CZ 4.02Å
38	C	98.4	Very high	98	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-35.9	173.2	-61.9	0	0	0	0	112.3	A34 Y35 K36 C42 V112 Q116	A34-C38 PolarHBondContact O-N 3.22Å; A34-C38 PolarHBondContact O-SG 2.98Å; Y35-C38 PolarHBondContact O-N 3.15Å; K36-C38 PolarHBondContact O-N 3.23Å; C38-C42 PolarHBondContact O-N 3.46Å; C38-C42 PolarHBondContact O-SG 3.07Å; C38-V112 HydrophobicContact CB-CG1 4.27Å; C38-Q116 HydrophobicContact CB-CB 4.09Å; C38-Q116 HydrophobicContact CB-CG 3.77Å
39	N	98	Very high	98	Very high	62 Å²	62	55 Å²	55	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-70.6	-45.1	175.5	-56.2	-49.8	0	0	0	111.2	Y35 K36 L37 L41 C42 L43 Q116	Y35-N39 WeakPolarHBondContact CE1-ND2 3.5Å; Y35-N39 PolarHBondContact O-ND2 3.05Å; K36-N39 WeakPolarHBondContact O-CA 3.49Å; K36-N39 WeakPolarHBondContact O-CB 3.3Å; K36-N39 PolarHBondContact O-N 3.32Å; L37-N39 VanDerWaalsContact C-N 3.34Å; N39-L41 VanDerWaalsContact C-N 3.31Å; N39-L41 PolarHBondContact O-N 3.28Å; N39-C42 WeakPolarHBondContact O-CB 3.48Å; N39-C42 PolarHBondContact O-N 3.1Å; N39-L43 PolarHBondContact O-N 3.43Å; N39-Q116 PolarHBondContact OD1-NE2 3.36Å
40	E	98.7	Very high	98.1	Very high	86 Å²	86	53 Å²	53	40%	0.402	26%	0.255	S	S	.	.	H	α-helix	trans	-61	-40.9	177	-53.5	-56	158.8	0	0	111.1	K36 L43 M44	K36-E40 WeakPolarHBondContact CE-OE1 3.46Å; K36-E40 HydrophobicContact CG-CG 4.22Å; K36-E40 IonicContact NZ-OE1 2.66Å; K36-E40 PolarHBondContact O-N 3.2Å; E40-L43 PolarHBondContact O-N 3.43Å; E40-M44 WeakPolarHBondContact O-CB 3.46Å; E40-M44 PolarHBondContact O-N 2.91Å
41	L	98.6	Very high	98.2	Very high	9 Å²	9	55.6 Å²	55.6	5%	0.047	27%	0.273	C	S	.	.	H	α-helix	trans	-64.1	-43.2	174.5	-177.9	58.6	0	0	0	111.7	L37 N39 L43 M44 I45 V112 F246 I249 F250 L253	L37-L41 VanDerWaalsContact O-CB 3.28Å; L37-L41 WeakPolarHBondContact O-CB 3.4Å; L37-L41 PolarHBondContact O-N 3.01Å; N39-L41 VanDerWaalsContact C-N 3.31Å; N39-L41 PolarHBondContact O-N 3.28Å; L41-L43 VanDerWaalsContact C-N 3.28Å; L41-L43 PolarHBondContact O-N 2.76Å; L41-M44 PolarHBondContact O-N 3.48Å; L41-I45 HydrophobicContact CD1-CD1 4.09Å; L41-I45 HydrophobicContact CD1-CG1 4.33Å; L41-I45 HydrophobicContact CG-CD1 3.97Å; L41-I45 WeakPolarHBondContact O-CD1 3.42Å; L41-I45 WeakPolarHBondContact O-CG1 3.43Å; L41-I45 PolarHBondContact O-N 3.05Å; L41-V112 HydrophobicContact CD2-CG1 4.4Å; L41-V112 HydrophobicContact CD2-CG2 4.13Å; L41-F246 HydrophobicContact CD2-CD2 4.08Å; L41-F246 HydrophobicContact CD2-CE1 4.44Å; L41-F246 HydrophobicContact CD2-CE2 3.85Å; L41-F246 HydrophobicContact CD2-CG 4.48Å; L41-F246 HydrophobicContact CD2-CZ 4.04Å; L41-I249 HydrophobicContact CD2-CG2 3.99Å; L41-F250 HydrophobicContact CD1-CE1 3.89Å; L41-F250 HydrophobicContact CD1-CZ 4.31Å; L41-L253 HydrophobicContact CD1-CD1 4.38Å
42	C	98.7	Very high	98.2	Very high	11 Å²	11	55.9 Å²	55.9	7%	0.074	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-37.2	174.1	-73.2	0	0	0	0	112.8	C38 N39 Q46 Q109 V112	C38-C42 PolarHBondContact O-N 3.46Å; C38-C42 PolarHBondContact O-SG 3.07Å; N39-C42 WeakPolarHBondContact O-CB 3.48Å; N39-C42 PolarHBondContact O-N 3.1Å; C42-Q46 WeakPolarHBondContact O-CB 3.49Å; C42-Q46 PolarHBondContact O-N 3.29Å; C42-Q109 HydrophobicContact CB-CG 4.05Å; C42-Q109 PolarHBondContact O-NE2 3.15Å; C42-V112 WeakPolarHBondContact SG-CG1 3.43Å
43	L	98.7	Very high	98.4	Very high	86 Å²	86	56.6 Å²	56.6	45%	0.45	28%	0.275	S	S	.	.	H	α-helix	trans	-68.2	-49.3	177.2	179.6	60.6	0	0	0	111.3	N39 E40 L41 I45 Q46 E47	N39-L43 PolarHBondContact O-N 3.43Å; E40-L43 PolarHBondContact O-N 3.43Å; L41-L43 VanDerWaalsContact C-N 3.28Å; L41-L43 PolarHBondContact O-N 2.76Å; L43-I45 VanDerWaalsContact C-N 3.26Å; L43-I45 PolarHBondContact O-N 3.03Å; L43-Q46 WeakPolarHBondContact O-CA 3.45Å; L43-Q46 VanDerWaalsContact O-CB 3.27Å; L43-Q46 WeakPolarHBondContact O-CB 3.46Å; L43-Q46 PolarHBondContact O-N 3.5Å; L43-E47 HydrophobicContact CD1-CG 4.26Å; L43-E47 WeakPolarHBondContact CD1-OE1 3.46Å; L43-E47 WeakPolarHBondContact O-CG 3.49Å; L43-E47 PolarHBondContact O-N 3.07Å
44	M	98.7	Very high	98.5	Very high	117 Å²	117	57.2 Å²	57.2	58%	0.576	28%	0.279	S	S	*	.	H	α-helix	trans	-54.7	-42	174.5	178.8	-175.2	-74.1	0	0	112.1	E40 L41 R48	E40-M44 WeakPolarHBondContact O-CB 3.46Å; E40-M44 PolarHBondContact O-N 2.91Å; L41-M44 PolarHBondContact O-N 3.48Å; M44-R48 WeakPolarHBondContact O-CB 3.43Å; M44-R48 PolarHBondContact O-N 3Å; M44-R48 VanDerWaalsContact O-N 3.1Å
45	I	98.8	Very high	98.5	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-67.4	-38.9	176	-63.7	166.7	0	0	0	111.1	L41 L43 A49 L104 I108 Q109 V112 L253	L41-I45 HydrophobicContact CD1-CD1 4.09Å; L41-I45 HydrophobicContact CD1-CG1 4.33Å; L41-I45 HydrophobicContact CG-CD1 3.97Å; L41-I45 WeakPolarHBondContact O-CD1 3.42Å; L41-I45 WeakPolarHBondContact O-CG1 3.43Å; L41-I45 PolarHBondContact O-N 3.05Å; L43-I45 VanDerWaalsContact C-N 3.26Å; L43-I45 PolarHBondContact O-N 3.03Å; I45-A49 VanDerWaalsContact O-CB 3.24Å; I45-A49 WeakPolarHBondContact O-CB 3.32Å; I45-A49 PolarHBondContact O-N 2.85Å; I45-L104 HydrophobicContact CG2-CB 4.08Å; I45-L104 HydrophobicContact CG2-CD2 4.46Å; I45-L104 WeakPolarHBondContact CG2-O 3.43Å; I45-I108 HydrophobicContact CD1-CG2 4.09Å; I45-Q109 HydrophobicContact CG2-CB 3.92Å; I45-Q109 HydrophobicContact CG2-CG 4.35Å; I45-V112 HydrophobicContact CD1-CG2 4.36Å; I45-L253 HydrophobicContact CD1-CD1 4.21Å; I45-L253 HydrophobicContact CD1-CD2 4.16Å; I45-L253 HydrophobicContact CG1-CD1 4.18Å; I45-L253 HydrophobicContact CG1-CD2 3.89Å; I45-L253 HydrophobicContact CG2-CD2 4.49Å
46	Q	98.7	Very high	98.6	Very high	61 Å²	61	60.4 Å²	60.4	29%	0.285	29%	0.292	S	S	.	.	H	α-helix	trans	-61.2	-49.6	176.6	-172.2	62.2	56.5	0	0	111.8	C42 L43 A49 E50	C42-Q46 WeakPolarHBondContact O-CB 3.49Å; C42-Q46 PolarHBondContact O-N 3.29Å; L43-Q46 WeakPolarHBondContact O-CA 3.45Å; L43-Q46 VanDerWaalsContact O-CB 3.27Å; L43-Q46 WeakPolarHBondContact O-CB 3.46Å; L43-Q46 PolarHBondContact O-N 3.5Å; Q46-A49 PolarHBondContact O-N 2.99Å; Q46-E50 WeakPolarHBondContact O-CG 3.43Å; Q46-E50 PolarHBondContact O-N 3.38Å
47	E	98.8	Very high	98.6	Very high	116 Å²	116	57.5 Å²	57.5	54%	0.542	28%	0.284	S	S	.	.	H	α-helix	trans	-62.9	-46.8	-178.1	-70.5	170.7	176.5	0	0	110.5	L43 A49 E50 L51	L43-E47 HydrophobicContact CD1-CG 4.26Å; L43-E47 WeakPolarHBondContact CD1-OE1 3.46Å; L43-E47 WeakPolarHBondContact O-CG 3.49Å; L43-E47 PolarHBondContact O-N 3.07Å; E47-A49 VanDerWaalsContact C-N 3.33Å; E47-A49 PolarHBondContact O-N 3.32Å; E47-E50 PolarHBondContact O-N 2.9Å; E47-L51 PolarHBondContact O-N 3.21Å
48	R	98.7	Very high	98.6	Very high	99 Å²	99	58.2 Å²	58.2	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-58.8	-44	174.6	178.2	55.6	-172.5	-101.7	7.8	112	M44 E50 L51 E52 L104 L257	M44-R48 WeakPolarHBondContact O-CB 3.43Å; M44-R48 PolarHBondContact O-N 3Å; M44-R48 VanDerWaalsContact O-N 3.1Å; R48-E50 VanDerWaalsContact C-N 3.34Å; R48-E50 PolarHBondContact O-N 3.19Å; R48-L51 WeakPolarHBondContact O-CB 3.5Å; R48-L51 PolarHBondContact O-N 3.2Å; R48-E52 IonicContact CZ-OE1 3.3Å; R48-E52 IonicContact NE-OE1 2.88Å; R48-E52 PolarHBondContact NE-OE1 2.66Å; R48-E52 IonicContact NH2-OE1 2.59Å; R48-E52 PolarHBondContact NH2-OE1 3.4Å; R48-E52 PolarHBondContact O-N 2.84Å; R48-L104 HydrophobicContact CG-CD1 3.94Å; R48-L257 HydrophobicContact CG-CD2 4.15Å
49	A	98.8	Very high	98.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.4	-33.5	-179.1	0	0	0	0	0	113.4	I45 Q46 E47 L51 E52 K53 R101 L104 I105	I45-A49 VanDerWaalsContact O-CB 3.24Å; I45-A49 WeakPolarHBondContact O-CB 3.32Å; I45-A49 PolarHBondContact O-N 2.85Å; Q46-A49 PolarHBondContact O-N 2.99Å; E47-A49 VanDerWaalsContact C-N 3.33Å; E47-A49 PolarHBondContact O-N 3.32Å; A49-L51 VanDerWaalsContact C-N 3.35Å; A49-E52 PolarHBondContact O-N 2.97Å; A49-K53 WeakPolarHBondContact O-CB 3.44Å; A49-K53 PolarHBondContact O-N 3.5Å; A49-R101 HydrophobicContact CB-CG 4.04Å; A49-R101 VanDerWaalsContact O-CG 3.3Å; A49-R101 WeakPolarHBondContact O-CG 3.37Å; A49-L104 HydrophobicContact CB-CB 3.89Å; A49-L104 HydrophobicContact CB-CD1 3.95Å; A49-I105 HydrophobicContact CB-CD1 3.47Å; A49-I105 VanDerWaalsContact CB-CD1 3.47Å; A49-I105 HydrophobicContact CB-CG1 3.57Å
50	E	98.7	Very high	98.7	Very high	72 Å²	72	59.8 Å²	59.8	34%	0.336	29%	0.294	S	S	.	.	H	α-helix	trans	-69.5	-30.8	174.6	-71	-63.9	134.5	0	0	112.3	Q46 E47 R48 K53 A54	Q46-E50 WeakPolarHBondContact O-CG 3.43Å; Q46-E50 PolarHBondContact O-N 3.38Å; E47-E50 PolarHBondContact O-N 2.9Å; R48-E50 VanDerWaalsContact C-N 3.34Å; R48-E50 PolarHBondContact O-N 3.19Å; E50-K53 IonicContact OE1-NZ 3.13Å; E50-K53 PolarHBondContact OE1-NZ 3.31Å; E50-K53 IonicContact OE2-NZ 3.19Å; E50-K53 PolarHBondContact OE2-NZ 3.5Å; E50-A54 VanDerWaalsContact O-CB 3.3Å; E50-A54 WeakPolarHBondContact O-CB 3.36Å; E50-A54 PolarHBondContact O-N 3.05Å
51	L	98.6	Very high	98.6	Very high	121 Å²	121	62.4 Å²	62.4	63%	0.634	30%	0.304	S	S	*	.	H	α-helix	trans	-62.4	-48.5	170	-62.8	174.1	0	0	0	111.9	E47 R48 A49 K53 A54 Y55	E47-L51 PolarHBondContact O-N 3.21Å; R48-L51 WeakPolarHBondContact O-CB 3.5Å; R48-L51 PolarHBondContact O-N 3.2Å; A49-L51 VanDerWaalsContact C-N 3.35Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 2.75Å; L51-A54 PolarHBondContact O-N 3.05Å; L51-Y55 PolarHBondContact O-N 2.93Å
52	E	98.5	Very high	98.7	Very high	12 Å²	12	67.2 Å²	67.2	6%	0.056	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-42.8	178.2	-59.7	-62.1	162.4	0	0	111.6	R48 A49 S56 H97 V100 R101 L104	R48-E52 IonicContact CZ-OE1 3.3Å; R48-E52 IonicContact NE-OE1 2.88Å; R48-E52 PolarHBondContact NE-OE1 2.66Å; R48-E52 IonicContact NH2-OE1 2.59Å; R48-E52 PolarHBondContact NH2-OE1 3.4Å; R48-E52 PolarHBondContact O-N 2.84Å; A49-E52 PolarHBondContact O-N 2.97Å; E52-S56 WeakPolarHBondContact O-CB 3.09Å; E52-S56 PolarHBondContact O-N 3.22Å; E52-H97 IonicContact OE2-CE1 2.71Å; E52-H97 IonicContact OE2-CG 3.16Å; E52-H97 IonicContact OE2-ND1 3.67Å; E52-H97 PolarHBondContact OE2-ND1 2.86Å; E52-V100 HydrophobicContact CG-CB 4.35Å; E52-V100 HydrophobicContact CG-CG1 3.91Å; E52-R101 HydrophobicContact CB-CB 4.08Å; E52-L104 HydrophobicContact CG-CD1 4.16Å
53	K	98.6	Very high	98.6	Very high	74 Å²	74	66.7 Å²	66.7	32%	0.322	32%	0.318	S	S	.	.	H	α-helix	trans	-66.9	-37.6	175.2	168	-178.8	162.3	-144.6	0	112.8	A49 E50 L51 S57 R101	A49-K53 WeakPolarHBondContact O-CB 3.44Å; A49-K53 PolarHBondContact O-N 3.5Å; E50-K53 IonicContact OE1-NZ 3.13Å; E50-K53 PolarHBondContact OE1-NZ 3.31Å; E50-K53 IonicContact OE2-NZ 3.19Å; E50-K53 PolarHBondContact OE2-NZ 3.5Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 2.75Å; K53-S57 WeakPolarHBondContact O-CB 3.49Å; K53-S57 PolarHBondContact O-N 3.07Å; K53-S57 PolarHBondContact O-OG 3.44Å; K53-R101 HydrophobicContact CB-CB 4.31Å; K53-R101 HydrophobicContact CB-CG 3.92Å
54	A	98.7	Very high	98.6	Very high	46 Å²	46	65.8 Å²	65.8	38%	0.38	32%	0.319	S	S	.	.	H	α-helix	trans	-64.5	-46.2	176.7	0	0	0	0	0	111	E50 L51 S57 N58	E50-A54 VanDerWaalsContact O-CB 3.3Å; E50-A54 WeakPolarHBondContact O-CB 3.36Å; E50-A54 PolarHBondContact O-N 3.05Å; L51-A54 PolarHBondContact O-N 3.05Å; A54-S57 PolarHBondContact O-N 3.44Å; A54-N58 WeakPolarHBondContact O-CB 3.4Å; A54-N58 PolarHBondContact O-N 3.47Å; A54-N58 PolarHBondContact O-ND2 3.2Å
55	Y	98.7	Very high	98.6	Very high	111 Å²	111	69 Å²	69	44%	0.435	32%	0.324	S	S	.	.	H	α-helix	trans	-60.5	-52.1	175.3	-177.8	-121.4	0	0	0	111.7	L51 S57 N58 L59 V93 H97	L51-Y55 PolarHBondContact O-N 2.93Å; Y55-S57 VanDerWaalsContact C-N 3.33Å; Y55-S57 PolarHBondContact O-N 2.97Å; Y55-N58 PolarHBondContact O-N 3.48Å; Y55-L59 HydrophobicContact CD1-CD1 4.13Å; Y55-L59 HydrophobicContact CD2-CG 4.48Å; Y55-L59 HydrophobicContact CE1-CD1 3.69Å; Y55-L59 HydrophobicContact CE2-CD1 4.09Å; Y55-L59 HydrophobicContact CE2-CD2 4.36Å; Y55-L59 HydrophobicContact CE2-CG 4.16Å; Y55-L59 PolarHBondContact O-N 3.34Å; Y55-V93 HydrophobicContact CE1-CG1 3.95Å; Y55-H97 HydrophobicContact CD1-CB 4.1Å; Y55-H97 AromaticContact CD1-CD2 3.8Å; Y55-H97 AromaticContact CD1-CG 3.62Å; Y55-H97 AromaticContact CD1-ND1 3.78Å; Y55-H97 AromaticContact CE1-CD2 3.62Å; Y55-H97 AromaticContact CE1-CG 3.95Å; Y55-H97 AromaticContact CE1-NE2 3.67Å
56	S	98.6	Very high	98.6	Very high	1 Å²	1	72.4 Å²	72.4	1%	0.007	34%	0.337	C	S	.	.	H	α-helix	trans	-51.1	-48.3	173.3	158.8	0	0	0	0	112.8	E52 N58 L59 K60 S94 Q98	E52-S56 WeakPolarHBondContact O-CB 3.09Å; E52-S56 PolarHBondContact O-N 3.22Å; S56-N58 PolarHBondContact O-N 2.99Å; S56-L59 PolarHBondContact O-N 2.98Å; S56-K60 PolarHBondContact O-N 2.91Å; S56-K60 VanDerWaalsContact O-N 3.13Å; S56-S94 WeakPolarHBondContact CB-O 3.26Å; S56-S94 PolarHBondContact O-OG 3Å; S56-S94 PolarHBondContact OG-O 3.43Å; S56-S94 PolarHBondContact OG-OG 3.35Å; S56-Q98 PolarHBondContact OG-OE1 2.66Å; S56-Q98 VanDerWaalsContact OG-OE1 3.13Å
57	S	98.6	Very high	98.5	Very high	41 Å²	41	72.2 Å²	72.2	29%	0.287	34%	0.338	S	S	.	.	H	α-helix	trans	-67.8	-35.4	-177.7	-60.8	0	0	0	0	112.5	K53 A54 Y55 K61	K53-S57 WeakPolarHBondContact O-CB 3.49Å; K53-S57 PolarHBondContact O-N 3.07Å; K53-S57 PolarHBondContact O-OG 3.44Å; A54-S57 PolarHBondContact O-N 3.44Å; Y55-S57 VanDerWaalsContact C-N 3.33Å; Y55-S57 PolarHBondContact O-N 2.97Å; S57-K61 VanDerWaalsContact O-CG 3.27Å; S57-K61 WeakPolarHBondContact O-CG 3.45Å; S57-K61 PolarHBondContact O-N 3.02Å; S57-K61 VanDerWaalsContact O-N 3.07Å
58	N	98.7	Very high	98.4	Very high	94 Å²	94	70.4 Å²	70.4	50%	0.503	34%	0.338	S	S	.	.	H	α-helix	trans	-73.3	-40.3	179.3	-72.1	-15.4	0	0	0	111.5	A54 Y55 S56 K60 K61 W62	A54-N58 WeakPolarHBondContact O-CB 3.4Å; A54-N58 PolarHBondContact O-N 3.47Å; A54-N58 PolarHBondContact O-ND2 3.2Å; Y55-N58 PolarHBondContact O-N 3.48Å; S56-N58 PolarHBondContact O-N 2.99Å; N58-K60 PolarHBondContact O-N 3.14Å; N58-K61 PolarHBondContact O-N 3.06Å; N58-W62 VanDerWaalsContact O-CB 3.31Å; N58-W62 WeakPolarHBondContact O-CB 3.31Å; N58-W62 PolarHBondContact O-N 3.44Å
59	L	98.7	Very high	98.3	Very high	28 Å²	28	69.1 Å²	69.1	15%	0.147	34%	0.335	C	S	.	.	H	α-helix	trans	-58.2	-45.8	171.4	-73.7	174.6	0	0	0	111.9	Y55 S56 W62 S63 A90 V93	Y55-L59 HydrophobicContact CD1-CD1 4.13Å; Y55-L59 HydrophobicContact CD2-CG 4.48Å; Y55-L59 HydrophobicContact CE1-CD1 3.69Å; Y55-L59 HydrophobicContact CE2-CD1 4.09Å; Y55-L59 HydrophobicContact CE2-CD2 4.36Å; Y55-L59 HydrophobicContact CE2-CG 4.16Å; Y55-L59 PolarHBondContact O-N 3.34Å; S56-L59 PolarHBondContact O-N 2.98Å; L59-W62 PolarHBondContact O-N 3.46Å; L59-S63 PolarHBondContact O-N 3.49Å; L59-A90 HydrophobicContact CD2-CB 4.14Å; L59-V93 HydrophobicContact CD1-CB 4.08Å; L59-V93 HydrophobicContact CD1-CG1 3.77Å
60	K	98.3	Very high	98.1	Very high	67 Å²	67	69.8 Å²	69.8	29%	0.291	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-46.6	176	-91.4	163.1	-177.3	142.9	0	113.1	S56 N58 W62 S63 S64 S94 N95	S56-K60 PolarHBondContact O-N 2.91Å; S56-K60 VanDerWaalsContact O-N 3.13Å; N58-K60 PolarHBondContact O-N 3.14Å; K60-W62 VanDerWaalsContact C-N 3.28Å; K60-W62 PolarHBondContact O-N 2.9Å; K60-S63 PolarHBondContact O-N 3.28Å; K60-S64 PolarHBondContact O-N 3.35Å; K60-S64 PolarHBondContact O-OG 2.77Å; K60-S64 VanDerWaalsContact O-OG 3.07Å; K60-S94 WeakPolarHBondContact CD-OG 3.49Å; K60-S94 WeakPolarHBondContact CE-OG 3.44Å; K60-S94 VanDerWaalsContact CG-OG 3.31Å; K60-S94 WeakPolarHBondContact CG-OG 3.44Å; K60-S94 PolarHBondContact NZ-OG 3.5Å; K60-S94 VanDerWaalsContact NZ-OG 3.1Å; K60-N95 WeakPolarHBondContact CE-OD1 3.42Å; K60-N95 PolarHBondContact NZ-OD1 3.43Å
61	K	98.6	Very high	97.9	Very high	140 Å²	140	72.9 Å²	72.9	61%	0.609	36%	0.358	S	S	*	.	H	α-helix	trans	-60.4	-38.8	175.4	-72	168.1	-173.9	172.4	0	112.2	S57 N58 R65	S57-K61 VanDerWaalsContact O-CG 3.27Å; S57-K61 WeakPolarHBondContact O-CG 3.45Å; S57-K61 PolarHBondContact O-N 3.02Å; S57-K61 VanDerWaalsContact O-N 3.07Å; N58-K61 PolarHBondContact O-N 3.06Å; K61-R65 WeakPolarHBondContact O-CB 3.41Å; K61-R65 PolarHBondContact O-N 3.48Å; K61-R65 VanDerWaalsContact O-N 3.14Å
62	W	98.6	Very high	97.6	Very high	110 Å²	110	70.8 Å²	70.8	42%	0.417	35%	0.353	S	S	.	.	H	α-helix	trans	-66	-49.2	177.1	178	96.2	0	0	0	111.2	N58 L59 K60 R65 W66 L86 A90	N58-W62 VanDerWaalsContact O-CB 3.31Å; N58-W62 WeakPolarHBondContact O-CB 3.31Å; N58-W62 PolarHBondContact O-N 3.44Å; L59-W62 PolarHBondContact O-N 3.46Å; K60-W62 VanDerWaalsContact C-N 3.28Å; K60-W62 PolarHBondContact O-N 2.9Å; W62-R65 PolarHBondContact O-N 2.81Å; W62-W66 AromaticContact CD1-CD1 3.98Å; W62-W66 AromaticContact CD1-NE1 3.69Å; W62-W66 AromaticContact CD2-CD1 3.68Å; W62-W66 AromaticContact CE2-CD1 3.39Å; W62-W66 AromaticContact CE2-NE1 3.4Å; W62-W66 AromaticContact CZ2-CD1 3.72Å; W62-W66 AromaticContact CZ2-NE1 3.81Å; W62-W66 AromaticContact NE1-CD1 3.63Å; W62-W66 AromaticContact NE1-NE1 3.18Å; W62-W66 VanDerWaalsContact NE1-NE1 3.18Å; W62-W66 VanDerWaalsContact O-CD1 3.22Å; W62-W66 PolarHBondContact O-N 2.66Å; W62-W66 VanDerWaalsContact O-N 3.17Å; W62-L86 HydrophobicContact CH2-CB 4.25Å; W62-A90 HydrophobicContact CE3-CB 3.77Å; W62-A90 HydrophobicContact CZ3-CB 3.64Å
63	S	98.5	Very high	97.2	Very high	0 Å²	0	73 Å²	73	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-56.5	-55.4	175.4	175.7	0	0	0	0	111.3	L59 K60 R65 W66 L67 C87 E91	L59-S63 PolarHBondContact O-N 3.49Å; K60-S63 PolarHBondContact O-N 3.28Å; S63-R65 PolarHBondContact O-N 2.85Å; S63-R65 VanDerWaalsContact O-N 3.16Å; S63-W66 PolarHBondContact O-N 3.07Å; S63-L67 WeakPolarHBondContact O-CG 3.48Å; S63-L67 PolarHBondContact O-N 2.76Å; S63-C87 WeakPolarHBondContact OG-CB 3.33Å; S63-C87 PolarHBondContact OG-O 3.46Å; S63-E91 WeakPolarHBondContact CB-OE1 3.21Å; S63-E91 PolarHBondContact OG-OE1 2.91Å
64	S	98.2	Very high	96.9	Very high	68 Å²	68	75.6 Å²	75.6	48%	0.476	40%	0.396	S	S	.	.	H	α-helix	trans	-59	-33.4	-178.1	-57.2	0	0	0	0	113.1	K60 S68	K60-S64 PolarHBondContact O-N 3.35Å; K60-S64 PolarHBondContact O-OG 2.77Å; K60-S64 VanDerWaalsContact O-OG 3.07Å; S64-S68 VanDerWaalsContact O-CB 3.27Å; S64-S68 WeakPolarHBondContact O-CB 3.48Å; S64-S68 PolarHBondContact O-N 2.97Å; S64-S68 VanDerWaalsContact O-N 3.09Å
65	R	98.3	Very high	96.6	Very high	184 Å²	184	76.5 Å²	76.5	69%	0.694	39%	0.392	S	S	*	.	H	α-helix	trans	-65.8	-44.2	174.6	175.2	179.4	173.5	167.8	-0.4	111.9	K61 W62 S63 F69	K61-R65 WeakPolarHBondContact O-CB 3.41Å; K61-R65 PolarHBondContact O-N 3.48Å; K61-R65 VanDerWaalsContact O-N 3.14Å; W62-R65 PolarHBondContact O-N 2.81Å; S63-R65 PolarHBondContact O-N 2.85Å; S63-R65 VanDerWaalsContact O-N 3.16Å; R65-F69 PolarHBondContact O-N 3.28Å; R65-F69 VanDerWaalsContact O-N 3.1Å
66	W	98.1	Very high	96.3	Very high	76 Å²	76	75.1 Å²	75.1	29%	0.288	39%	0.387	S	S	.	.	H	α-helix	trans	-76.7	-36.9	-177.7	-72.9	116.8	0	0	0	112.7	W62 S63 S68 F69 L70 W83	W62-W66 AromaticContact CD1-CD1 3.98Å; W62-W66 AromaticContact CD1-NE1 3.69Å; W62-W66 AromaticContact CD2-CD1 3.68Å; W62-W66 AromaticContact CE2-CD1 3.39Å; W62-W66 AromaticContact CE2-NE1 3.4Å; W62-W66 AromaticContact CZ2-CD1 3.72Å; W62-W66 AromaticContact CZ2-NE1 3.81Å; W62-W66 AromaticContact NE1-CD1 3.63Å; W62-W66 AromaticContact NE1-NE1 3.18Å; W62-W66 VanDerWaalsContact NE1-NE1 3.18Å; W62-W66 VanDerWaalsContact O-CD1 3.22Å; W62-W66 PolarHBondContact O-N 2.66Å; W62-W66 VanDerWaalsContact O-N 3.17Å; S63-W66 PolarHBondContact O-N 3.07Å; W66-S68 PolarHBondContact O-N 3.01Å; W66-F69 HydrophobicContact CE3-CB 4.17Å; W66-F69 AromaticContact CE3-CD1 3.77Å; W66-F69 HydrophobicContact CE3-CD1 3.77Å; W66-F69 HydrophobicContact CE3-CE1 4.43Å; W66-F69 HydrophobicContact CE3-CG 4.07Å; W66-F69 AromaticContact CZ3-CD1 3.98Å; W66-F69 HydrophobicContact CZ3-CD1 3.98Å; W66-F69 HydrophobicContact CZ3-CE1 4.27Å; W66-F69 HydrophobicContact CZ3-CG 4.24Å; W66-F69 WeakPolarHBondContact O-CB 3.36Å; W66-F69 PolarHBondContact O-N 2.96Å; W66-F69 VanDerWaalsContact O-N 3.07Å; W66-L70 WeakPolarHBondContact O-CG 3.33Å; W66-L70 PolarHBondContact O-N 3.16Å; W66-W83 HydrophobicContact CD2-CZ3 4.42Å; W66-W83 HydrophobicContact CE3-CE3 4.32Å; W66-W83 AromaticContact CE3-CZ3 3.68Å; W66-W83 HydrophobicContact CE3-CZ3 3.68Å; W66-W83 HydrophobicContact CH2-CZ3 4.46Å; W66-W83 HydrophobicContact CZ3-CH2 4.36Å; W66-W83 AromaticContact CZ3-CZ3 3.71Å; W66-W83 HydrophobicContact CZ3-CZ3 3.71Å
67	L	97.2	Very high	96.1	Very high	56 Å²	56	76.7 Å²	76.7	29%	0.293	40%	0.403	S	S	.	.	H	α-helix	trans	-58.2	-48.2	169.6	-66.7	175	0	0	0	111	S63 F69 L70 D71 K84 C87	S63-L67 WeakPolarHBondContact O-CG 3.48Å; S63-L67 PolarHBondContact O-N 2.76Å; L67-F69 PolarHBondContact O-N 3.33Å; L67-L70 HydrophobicContact CD2-CD1 4.5Å; L67-L70 WeakPolarHBondContact O-CB 3.43Å; L67-L70 PolarHBondContact O-N 2.98Å; L67-D71 PolarHBondContact O-N 3.38Å; L67-D71 VanDerWaalsContact O-N 3.09Å; L67-K84 HydrophobicContact CD2-CG 4.39Å; L67-C87 HydrophobicContact CD1-CB 4.26Å; L67-C87 HydrophobicContact CD2-CB 3.73Å; L67-C87 HydrophobicContact CG-CB 3.86Å
68	S	96.7	Very high	96	Very high	79 Å²	79	75.9 Å²	75.9	55%	0.552	40%	0.398	S	S	*	.	H	α-helix	trans	-63.9	-20.6	174.8	-179.7	0	0	0	0	114.1	S64 W66	S64-S68 VanDerWaalsContact O-CB 3.27Å; S64-S68 WeakPolarHBondContact O-CB 3.48Å; S64-S68 PolarHBondContact O-N 2.97Å; S64-S68 VanDerWaalsContact O-N 3.09Å; W66-S68 PolarHBondContact O-N 3.01Å
69	F	96.4	Very high	95.7	Very high	71 Å²	71	72 Å²	72	31%	0.311	38%	0.38	S	S	.	.	H	α-helix	trans	-78.3	-38.7	171.5	163.7	-96.8	0	0	0	111.4	R65 W66 L67 D71 S72 L74 W83	R65-F69 PolarHBondContact O-N 3.28Å; R65-F69 VanDerWaalsContact O-N 3.1Å; W66-F69 HydrophobicContact CE3-CB 4.17Å; W66-F69 AromaticContact CE3-CD1 3.77Å; W66-F69 HydrophobicContact CE3-CD1 3.77Å; W66-F69 HydrophobicContact CE3-CE1 4.43Å; W66-F69 HydrophobicContact CE3-CG 4.07Å; W66-F69 AromaticContact CZ3-CD1 3.98Å; W66-F69 HydrophobicContact CZ3-CD1 3.98Å; W66-F69 HydrophobicContact CZ3-CE1 4.27Å; W66-F69 HydrophobicContact CZ3-CG 4.24Å; W66-F69 WeakPolarHBondContact O-CB 3.36Å; W66-F69 PolarHBondContact O-N 2.96Å; W66-F69 VanDerWaalsContact O-N 3.07Å; L67-F69 PolarHBondContact O-N 3.33Å; F69-D71 VanDerWaalsContact C-N 3.25Å; F69-D71 PolarHBondContact O-N 2.97Å; F69-S72 WeakPolarHBondContact O-CB 3.38Å; F69-S72 PolarHBondContact O-N 2.99Å; F69-S72 PolarHBondContact O-OG 3.05Å; F69-L74 HydrophobicContact CE2-CD2 4.09Å; F69-L74 HydrophobicContact CZ-CD2 3.98Å; F69-W83 HydrophobicContact CD1-CZ3 4.3Å; F69-W83 HydrophobicContact CE1-CH2 4.02Å; F69-W83 HydrophobicContact CE1-CZ3 4.02Å
70	L	95.3	Very high	95.6	Very high	15 Å²	15	71.4 Å²	71.4	8%	0.079	38%	0.378	C	S	.	.	H	α-helix	trans	-63.1	-34.3	173.5	-62.3	174.7	0	0	0	111.6	W66 L67 S72 G73 E75 W83 K84	W66-L70 WeakPolarHBondContact O-CG 3.33Å; W66-L70 PolarHBondContact O-N 3.16Å; L67-L70 HydrophobicContact CD2-CD1 4.5Å; L67-L70 WeakPolarHBondContact O-CB 3.43Å; L67-L70 PolarHBondContact O-N 2.98Å; L70-S72 PolarHBondContact O-N 2.96Å; L70-G73 PolarHBondContact O-N 2.92Å; L70-G73 VanDerWaalsContact O-N 3.08Å; L70-E75 HydrophobicContact CD2-CB 4.1Å; L70-E75 HydrophobicContact CD2-CG 4.43Å; L70-W83 HydrophobicContact CD1-CB 3.72Å; L70-W83 HydrophobicContact CD2-CB 3.89Å; L70-W83 HydrophobicContact CD2-CD2 4.13Å; L70-W83 HydrophobicContact CD2-CE3 4.39Å; L70-W83 HydrophobicContact CD2-CG 3.95Å; L70-W83 HydrophobicContact CG-CB 4.34Å; L70-K84 HydrophobicContact CD1-CG 3.79Å
71	D	93.8	Very high	95.5	Very high	137 Å²	137	69 Å²	69	73%	0.733	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-10.5	173.2	-65.4	-28.6	0	0	0	113.8	L67 F69 G73	L67-D71 PolarHBondContact O-N 3.38Å; L67-D71 VanDerWaalsContact O-N 3.09Å; F69-D71 VanDerWaalsContact C-N 3.25Å; F69-D71 PolarHBondContact O-N 2.97Å; D71-G73 PolarHBondContact O-N 3.32Å
72	S	93.7	Very high	95.4	Very high	76 Å²	76	63.8 Å²	63.8	53%	0.531	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.6	171.8	71.7	0	0	0	0	113.8	F69 L70 L74	F69-S72 WeakPolarHBondContact O-CB 3.38Å; F69-S72 PolarHBondContact O-N 2.99Å; F69-S72 PolarHBondContact O-OG 3.05Å; L70-S72 PolarHBondContact O-N 2.96Å; S72-L74 PolarHBondContact O-N 3.36Å; S72-L74 PolarHBondContact OG-N 3.33Å
73	G	88.7	Confident	95.4	Very high	59 Å²	59	62.8 Å²	62.8	61%	0.608	35%	0.346	S	S	*	.	S	Bend	trans	72.4	12.5	-176.3	0	0	0	0	0	114.6	L70 D71	L70-G73 PolarHBondContact O-N 2.92Å; L70-G73 VanDerWaalsContact O-N 3.08Å; D71-G73 PolarHBondContact O-N 3.32Å
74	L	92.6	Very high	95.3	Very high	129 Å²	129	67.7 Å²	67.7	68%	0.675	37%	0.368	S	S	*	.	S	Bend	trans	-70.4	-34.7	175.8	-176.7	63.3	0	0	0	112.5	F69 S72	F69-L74 HydrophobicContact CE2-CD2 4.09Å; F69-L74 HydrophobicContact CZ-CD2 3.98Å; S72-L74 PolarHBondContact O-N 3.36Å; S72-L74 PolarHBondContact OG-N 3.33Å
75	E	93.2	Very high	95.3	Very high	64 Å²	64	64.5 Å²	64.5	30%	0.299	35%	0.346	S	S	.	.	S	Bend	trans	-97.7	141.8	170.6	-173.1	61.6	-85.6	0	0	109.1	L70	L70-E75 HydrophobicContact CD2-CB 4.1Å; L70-E75 HydrophobicContact CD2-CG 4.43Å
76	Y	91.8	Very high	95.3	Very high	82 Å²	82	59.5 Å²	59.5	32%	0.322	33%	0.332	S	S	.	.			trans	-129.5	168.6	-173.7	65.5	-83.6	0	0	0	112.2	G79 D284 L287 W288	Y76-G79 PolarHBondContact O-N 3.45Å; Y76-D284 HydrophobicContact CE2-CB 4.11Å; Y76-L287 HydrophobicContact CD2-CD2 4.49Å; Y76-W288 AromaticContact CD1-CE3 3.9Å; Y76-W288 HydrophobicContact CD1-CE3 3.9Å; Y76-W288 AromaticContact CD1-CZ3 3.79Å; Y76-W288 HydrophobicContact CD1-CZ3 3.79Å; Y76-W288 HydrophobicContact CD2-CE3 4.15Å; Y76-W288 HydrophobicContact CE1-CD2 4.46Å; Y76-W288 AromaticContact CE1-CE3 3.48Å; Y76-W288 HydrophobicContact CE1-CE3 3.48Å; Y76-W288 VanDerWaalsContact CE1-CE3 3.48Å; Y76-W288 AromaticContact CE1-CZ3 3.64Å; Y76-W288 HydrophobicContact CE1-CZ3 3.64Å; Y76-W288 HydrophobicContact CE2-CB 4.13Å; Y76-W288 AromaticContact CE2-CE3 3.75Å; Y76-W288 HydrophobicContact CE2-CE3 3.75Å; Y76-W288 HydrophobicContact CG-CE3 4.22Å; Y76-W288 HydrophobicContact CG-CZ3 4.35Å; Y76-W288 AromaticContact CZ-CE3 3.4Å; Y76-W288 VanDerWaalsContact CZ-CE3 3.4Å
77	G	94.1	Very high	95.3	Very high	34 Å²	34	56 Å²	56	35%	0.351	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	52.8	-142.3	173	0	0	0	0	0	114.9	S80 D284	G77-S80 PolarHBondContact O-OG 2.85Å; G77-D284 VanDerWaalsContact CA-OD1 3.28Å; G77-D284 WeakPolarHBondContact CA-OD1 3.38Å
78	S	96.1	Very high	95.4	Very high	25 Å²	25	57.9 Å²	57.9	18%	0.175	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-74.2	-23.4	-179.1	84.4	0	0	0	0	113.5	S80 S81 Q278 C279 D280 D284	S78-S80 PolarHBondContact O-N 2.93Å; S78-S81 VanDerWaalsContact O-CB 3.23Å; S78-S81 WeakPolarHBondContact O-CB 3.45Å; S78-S81 PolarHBondContact O-N 3.27Å; S78-Q278 WeakPolarHBondContact CB-O 3.44Å; S78-C279 WeakPolarHBondContact OG-CA 3.36Å; S78-D280 PolarHBondContact OG-N 2.93Å; S78-D280 PolarHBondContact OG-O 3.27Å; S78-D284 WeakPolarHBondContact CA-OD2 3.41Å; S78-D284 WeakPolarHBondContact CB-OD2 3.49Å; S78-D284 VanDerWaalsContact N-CG 3.3Å; S78-D284 PolarHBondContact N-OD1 3.5Å; S78-D284 PolarHBondContact N-OD2 2.92Å; S78-D284 VanDerWaalsContact OG-CG 3.27Å; S78-D284 PolarHBondContact OG-OD1 2.98Å; S78-D284 PolarHBondContact OG-OD2 3Å
79	G	93.5	Very high	95.5	Very high	13 Å²	13	56 Å²	56	13%	0.134	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-55	-22.9	172.4	0	0	0	0	0	113.7	Y76 S81 P82 D284	Y76-G79 PolarHBondContact O-N 3.45Å; G79-S81 VanDerWaalsContact C-N 3.31Å; G79-S81 PolarHBondContact O-N 2.8Å; G79-P82 WeakPolarHBondContact O-CD 3.27Å; G79-D284 PolarHBondContact N-OD2 2.53Å
80	S	95.3	Very high	95.5	Very high	15 Å²	15	52.7 Å²	52.7	11%	0.105	29%	0.293	C	S	.	.	H	α-helix	trans	-72.2	-16	171.2	72.4	0	0	0	0	115	G77 S78 K84	G77-S80 PolarHBondContact O-OG 2.85Å; S78-S80 PolarHBondContact O-N 2.93Å; S80-K84 WeakPolarHBondContact O-CD 3.2Å; S80-K84 WeakPolarHBondContact O-CG 3.43Å; S80-K84 PolarHBondContact O-N 3.25Å; S80-K84 PolarHBondContact OG-NZ 3.47Å
81	S	96.6	Very high	95.7	Very high	17 Å²	17	55.1 Å²	55.1	12%	0.119	30%	0.304	C	S	.	.	H	α-helix	trans	-71.1	-47.3	-174	-159.8	0	0	0	0	114.2	S78 G79 W83 K84 G85 S275 Q278	S78-S81 VanDerWaalsContact O-CB 3.23Å; S78-S81 WeakPolarHBondContact O-CB 3.45Å; S78-S81 PolarHBondContact O-N 3.27Å; G79-S81 VanDerWaalsContact C-N 3.31Å; G79-S81 PolarHBondContact O-N 2.8Å; S81-W83 VanDerWaalsContact C-N 3.27Å; S81-W83 PolarHBondContact O-N 2.84Å; S81-K84 PolarHBondContact O-N 2.95Å; S81-K84 VanDerWaalsContact O-N 3.11Å; S81-G85 PolarHBondContact O-N 2.89Å; S81-S275 CarbonylContact C-O 3.55Å; S81-S275 WeakPolarHBondContact CB-O 3.22Å; S81-S275 PolarHBondContact OG-O 3.07Å; S81-S275 VanDerWaalsContact OG-O 3.1Å; S81-Q278 PolarHBondContact OG-OE1 3.36Å
82	P	97.7	Very high	95.9	Very high	29 Å²	29	50 Å²	50	19%	0.188	28%	0.281	C	S	.	.	H	α-helix	trans	-53.8	-41.3	173.9	-26.5	33.3	0	0	0	113.5	G79 G85 L86 I276 C279	G79-P82 WeakPolarHBondContact O-CD 3.27Å; P82-G85 PolarHBondContact O-N 3.09Å; P82-L86 WeakPolarHBondContact O-CG 3.49Å; P82-L86 PolarHBondContact O-N 2.99Å; P82-I276 HydrophobicContact CB-CG1 4.18Å; P82-C279 HydrophobicContact CG-CB 3.85Å
83	W	97.5	Very high	96.1	Very high	90 Å²	90	46.6 Å²	46.6	34%	0.341	26%	0.257	S	S	.	.	H	α-helix	trans	-65.3	-43.3	177.9	-66.6	81.1	0	0	0	112.2	W66 F69 L70 S81 G85 L86 C87	W66-W83 HydrophobicContact CD2-CZ3 4.42Å; W66-W83 HydrophobicContact CE3-CE3 4.32Å; W66-W83 AromaticContact CE3-CZ3 3.68Å; W66-W83 HydrophobicContact CE3-CZ3 3.68Å; W66-W83 HydrophobicContact CH2-CZ3 4.46Å; W66-W83 HydrophobicContact CZ3-CH2 4.36Å; W66-W83 AromaticContact CZ3-CZ3 3.71Å; W66-W83 HydrophobicContact CZ3-CZ3 3.71Å; F69-W83 HydrophobicContact CD1-CZ3 4.3Å; F69-W83 HydrophobicContact CE1-CH2 4.02Å; F69-W83 HydrophobicContact CE1-CZ3 4.02Å; L70-W83 HydrophobicContact CD1-CB 3.72Å; L70-W83 HydrophobicContact CD2-CB 3.89Å; L70-W83 HydrophobicContact CD2-CD2 4.13Å; L70-W83 HydrophobicContact CD2-CE3 4.39Å; L70-W83 HydrophobicContact CD2-CG 3.95Å; L70-W83 HydrophobicContact CG-CB 4.34Å; S81-W83 VanDerWaalsContact C-N 3.27Å; S81-W83 PolarHBondContact O-N 2.84Å; W83-G85 VanDerWaalsContact C-N 3.34Å; W83-L86 PolarHBondContact O-N 2.93Å; W83-C87 PolarHBondContact O-N 2.89Å; W83-C87 VanDerWaalsContact O-N 3.13Å; W83-C87 PolarHBondContact O-SG 3.18Å
84	K	97.2	Very high	96.5	Very high	102 Å²	102	43.8 Å²	43.8	44%	0.443	23%	0.228	S	C	.	.	H	α-helix	trans	-64.1	-39.4	175	-71.6	163.1	-177.2	161.2	0	111.3	L67 L70 S80 S81 C87 K88	L67-K84 HydrophobicContact CD2-CG 4.39Å; L70-K84 HydrophobicContact CD1-CG 3.79Å; S80-K84 WeakPolarHBondContact O-CD 3.2Å; S80-K84 WeakPolarHBondContact O-CG 3.43Å; S80-K84 PolarHBondContact O-N 3.25Å; S80-K84 PolarHBondContact OG-NZ 3.47Å; S81-K84 PolarHBondContact O-N 2.95Å; S81-K84 VanDerWaalsContact O-N 3.11Å; K84-C87 PolarHBondContact O-N 2.85Å; K84-K88 WeakPolarHBondContact O-CB 3.32Å; K84-K88 PolarHBondContact O-N 3.34Å
85	G	98	Very high	96.8	Very high	2 Å²	2	41.8 Å²	41.8	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-57.4	-48.2	173.5	0	0	0	0	0	112.6	S81 P82 W83 C87 K88 E89 L272	S81-G85 PolarHBondContact O-N 2.89Å; P82-G85 PolarHBondContact O-N 3.09Å; W83-G85 VanDerWaalsContact C-N 3.34Å; G85-C87 VanDerWaalsContact C-N 3.34Å; G85-C87 PolarHBondContact O-N 2.97Å; G85-K88 WeakPolarHBondContact O-CB 3.26Å; G85-K88 PolarHBondContact O-N 3.24Å; G85-E89 PolarHBondContact O-N 2.86Å; G85-L272 VanDerWaalsContact C-CD1 3.43Å
86	L	98.4	Very high	97	Very high	78 Å²	78	39.1 Å²	39.1	41%	0.408	21%	0.207	S	C	.	.	H	α-helix	trans	-61.7	-39.2	176.5	-71	168.6	0	0	0	112.6	W62 P82 W83 A90 L272	W62-L86 HydrophobicContact CH2-CB 4.25Å; P82-L86 WeakPolarHBondContact O-CG 3.49Å; P82-L86 PolarHBondContact O-N 2.99Å; W83-L86 PolarHBondContact O-N 2.93Å; L86-A90 PolarHBondContact O-N 2.99Å; L86-A90 VanDerWaalsContact O-N 3.15Å; L86-L272 HydrophobicContact CD2-CD1 3.9Å; L86-L272 HydrophobicContact CD2-CD2 4.16Å; L86-L272 HydrophobicContact CG-CD1 4.05Å
87	C	98.4	Very high	97.3	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-39.9	175.3	-64.5	0	0	0	0	111.8	S63 L67 W83 K84 G85 A90 E91	S63-C87 WeakPolarHBondContact OG-CB 3.33Å; S63-C87 PolarHBondContact OG-O 3.46Å; L67-C87 HydrophobicContact CD1-CB 4.26Å; L67-C87 HydrophobicContact CD2-CB 3.73Å; L67-C87 HydrophobicContact CG-CB 3.86Å; W83-C87 PolarHBondContact O-N 2.89Å; W83-C87 VanDerWaalsContact O-N 3.13Å; W83-C87 PolarHBondContact O-SG 3.18Å; K84-C87 PolarHBondContact O-N 2.85Å; G85-C87 VanDerWaalsContact C-N 3.34Å; G85-C87 PolarHBondContact O-N 2.97Å; C87-A90 PolarHBondContact O-N 2.96Å; C87-E91 PolarHBondContact O-N 2.95Å
88	K	98	Very high	97.4	Very high	97 Å²	97	37.3 Å²	37.3	42%	0.422	19%	0.192	S	C	.	.	H	α-helix	trans	-67.8	-40.8	178.7	-170.9	176.4	180	-173.7	0	112.8	K84 G85 E91 A92 E271	K84-K88 WeakPolarHBondContact O-CB 3.32Å; K84-K88 PolarHBondContact O-N 3.34Å; G85-K88 WeakPolarHBondContact O-CB 3.26Å; G85-K88 PolarHBondContact O-N 3.24Å; K88-E91 PolarHBondContact O-N 3.43Å; K88-A92 PolarHBondContact O-N 2.8Å; K88-E271 WeakPolarHBondContact CE-OE1 3.25Å; K88-E271 WeakPolarHBondContact CE-OE2 3.46Å; K88-E271 IonicContact NZ-OE1 2.79Å; K88-E271 PolarHBondContact NZ-OE1 3.29Å; K88-E271 IonicContact NZ-OE2 3.44Å; K88-E271 PolarHBondContact NZ-OE2 3.18Å
89	E	98.2	Very high	97.5	Very high	39 Å²	39	39.8 Å²	39.8	18%	0.182	20%	0.204	C	C	.	.	H	α-helix	trans	-56.9	-51.7	170.6	-177.7	-83.3	165.9	0	0	110.7	G85 E91 A92 V93 I268 Y269 L272	G85-E89 PolarHBondContact O-N 2.86Å; E89-E91 VanDerWaalsContact C-N 3.25Å; E89-E91 PolarHBondContact O-N 3.13Å; E89-A92 WeakPolarHBondContact O-CB 3.33Å; E89-A92 PolarHBondContact O-N 3.02Å; E89-V93 WeakPolarHBondContact O-CG2 3.31Å; E89-V93 PolarHBondContact O-N 2.86Å; E89-V93 WeakPolarHBondContact OE1-CG2 3.48Å; E89-I268 HydrophobicContact CB-CG2 4.26Å; E89-I268 HydrophobicContact CG-CG2 3.76Å; E89-Y269 HydrophobicContact CG-CD1 4.21Å; E89-Y269 HydrophobicContact CG-CE1 3.83Å; E89-Y269 WeakPolarHBondContact OE1-CE1 3.22Å; E89-Y269 PolarHBondContact OE1-OH 2.98Å; E89-L272 HydrophobicContact CB-CD2 4.41Å; E89-L272 HydrophobicContact CG-CD2 4.3Å
90	A	98.4	Very high	97.7	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-34.4	-179	0	0	0	0	0	112.4	L59 W62 L86 C87 S94	L59-A90 HydrophobicContact CD2-CB 4.14Å; W62-A90 HydrophobicContact CE3-CB 3.77Å; W62-A90 HydrophobicContact CZ3-CB 3.64Å; L86-A90 PolarHBondContact O-N 2.99Å; L86-A90 VanDerWaalsContact O-N 3.15Å; C87-A90 PolarHBondContact O-N 2.96Å; A90-S94 WeakPolarHBondContact O-CB 3.22Å; A90-S94 PolarHBondContact O-N 2.94Å
91	E	98.2	Very high	97.9	Very high	66 Å²	66	40.6 Å²	40.6	31%	0.308	20%	0.201	S	C	.	.	H	α-helix	trans	-71.6	-38.6	173.6	-77.2	-179.1	-159.8	0	0	113.2	S63 C87 K88 E89 S94 N95	S63-E91 WeakPolarHBondContact CB-OE1 3.21Å; S63-E91 PolarHBondContact OG-OE1 2.91Å; C87-E91 PolarHBondContact O-N 2.95Å; K88-E91 PolarHBondContact O-N 3.43Å; E89-E91 VanDerWaalsContact C-N 3.25Å; E89-E91 PolarHBondContact O-N 3.13Å; E91-S94 WeakPolarHBondContact O-CB 3.49Å; E91-S94 PolarHBondContact O-N 3.32Å; E91-N95 WeakPolarHBondContact O-CB 3.37Å; E91-N95 PolarHBondContact O-N 3.5Å; E91-N95 PolarHBondContact O-ND2 3.2Å
92	A	97.5	Very high	98	Very high	30 Å²	30	42.2 Å²	42.2	25%	0.248	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-47.9	174.3	0	0	0	0	0	111.4	K88 E89 N95 A96 I268	K88-A92 PolarHBondContact O-N 2.8Å; E89-A92 WeakPolarHBondContact O-CB 3.33Å; E89-A92 PolarHBondContact O-N 3.02Å; A92-N95 PolarHBondContact O-N 2.89Å; A92-A96 PolarHBondContact O-N 3.22Å; A92-I268 HydrophobicContact CB-CD1 3.77Å; A92-I268 HydrophobicContact CB-CG1 3.95Å; A92-I268 HydrophobicContact CB-CG2 4.11Å
93	V	97.9	Very high	98	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.024	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-40.3	174.8	179	0	0	0	0	111.2	Y55 L59 E89 N95 A96 H97 Y265	Y55-V93 HydrophobicContact CE1-CG1 3.95Å; L59-V93 HydrophobicContact CD1-CB 4.08Å; L59-V93 HydrophobicContact CD1-CG1 3.77Å; E89-V93 WeakPolarHBondContact O-CG2 3.31Å; E89-V93 PolarHBondContact O-N 2.86Å; E89-V93 WeakPolarHBondContact OE1-CG2 3.48Å; V93-N95 VanDerWaalsContact C-N 3.31Å; V93-N95 PolarHBondContact O-N 3.49Å; V93-A96 WeakPolarHBondContact O-CB 2.98Å; V93-A96 PolarHBondContact O-N 3.18Å; V93-H97 PolarHBondContact O-CD2 3.48Å; V93-H97 PolarHBondContact O-N 3.11Å; V93-Y265 HydrophobicContact CG2-CE1 3.98Å
94	S	98.2	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.1	-44.4	172.9	175	0	0	0	0	112.1	S56 K60 A90 E91 H97 Q98	S56-S94 WeakPolarHBondContact CB-O 3.26Å; S56-S94 PolarHBondContact O-OG 3Å; S56-S94 PolarHBondContact OG-O 3.43Å; S56-S94 PolarHBondContact OG-OG 3.35Å; K60-S94 WeakPolarHBondContact CD-OG 3.49Å; K60-S94 WeakPolarHBondContact CE-OG 3.44Å; K60-S94 VanDerWaalsContact CG-OG 3.31Å; K60-S94 WeakPolarHBondContact CG-OG 3.44Å; K60-S94 PolarHBondContact NZ-OG 3.5Å; K60-S94 VanDerWaalsContact NZ-OG 3.1Å; A90-S94 WeakPolarHBondContact O-CB 3.22Å; A90-S94 PolarHBondContact O-N 2.94Å; E91-S94 WeakPolarHBondContact O-CB 3.49Å; E91-S94 PolarHBondContact O-N 3.32Å; S94-H97 PolarHBondContact O-N 3.3Å; S94-Q98 VanDerWaalsContact O-CB 3.31Å; S94-Q98 WeakPolarHBondContact O-CB 3.48Å; S94-Q98 PolarHBondContact O-N 2.85Å
95	N	97.5	Very high	98.1	Very high	88 Å²	88	33.5 Å²	33.5	47%	0.471	17%	0.171	S	C	.	.	H	α-helix	trans	-67.1	-38.2	178.4	-70.6	-31.9	0	0	0	112.1	K60 E91 A92 V93 Q98 N99	K60-N95 WeakPolarHBondContact CE-OD1 3.42Å; K60-N95 PolarHBondContact NZ-OD1 3.43Å; E91-N95 WeakPolarHBondContact O-CB 3.37Å; E91-N95 PolarHBondContact O-N 3.5Å; E91-N95 PolarHBondContact O-ND2 3.2Å; A92-N95 PolarHBondContact O-N 2.89Å; V93-N95 VanDerWaalsContact C-N 3.31Å; V93-N95 PolarHBondContact O-N 3.49Å; N95-Q98 PolarHBondContact O-N 2.89Å; N95-N99 WeakPolarHBondContact O-CB 3.31Å; N95-N99 PolarHBondContact O-N 2.71Å
96	A	97.4	Very high	98.1	Very high	8 Å²	8	37.2 Å²	37.2	7%	0.066	19%	0.191	C	C	.	.	H	α-helix	trans	-56.5	-54	172.9	0	0	0	0	0	111.8	A92 V93 Q98 N99 V100 V259 V263	A92-A96 PolarHBondContact O-N 3.22Å; V93-A96 WeakPolarHBondContact O-CB 2.98Å; V93-A96 PolarHBondContact O-N 3.18Å; A96-Q98 PolarHBondContact O-N 2.98Å; A96-N99 WeakPolarHBondContact O-CB 3.49Å; A96-N99 PolarHBondContact O-N 3.35Å; A96-V100 PolarHBondContact O-N 2.88Å; A96-V100 VanDerWaalsContact O-N 3.15Å; A96-V259 HydrophobicContact CB-CG1 3.92Å; A96-V263 HydrophobicContact CB-CB 4.43Å; A96-V263 HydrophobicContact CB-CG1 4.24Å; A96-V263 HydrophobicContact CB-CG2 3.78Å
97	H	98.2	Very high	98.1	Very high	30 Å²	30	39.2 Å²	39.2	14%	0.139	20%	0.198	C	C	.	.	H	α-helix	trans	-70.6	-31.4	-179.6	-75.4	-93.8	0	0	0	113.1	E52 Y55 V93 S94 N99 V100 R101	E52-H97 IonicContact OE2-CE1 2.71Å; E52-H97 IonicContact OE2-CG 3.16Å; E52-H97 IonicContact OE2-ND1 3.67Å; E52-H97 PolarHBondContact OE2-ND1 2.86Å; Y55-H97 HydrophobicContact CD1-CB 4.1Å; Y55-H97 AromaticContact CD1-CD2 3.8Å; Y55-H97 AromaticContact CD1-CG 3.62Å; Y55-H97 AromaticContact CD1-ND1 3.78Å; Y55-H97 AromaticContact CE1-CD2 3.62Å; Y55-H97 AromaticContact CE1-CG 3.95Å; Y55-H97 AromaticContact CE1-NE2 3.67Å; V93-H97 PolarHBondContact O-CD2 3.48Å; V93-H97 PolarHBondContact O-N 3.11Å; S94-H97 PolarHBondContact O-N 3.3Å; H97-N99 VanDerWaalsContact C-N 3.29Å; H97-N99 PolarHBondContact O-N 2.9Å; H97-V100 WeakPolarHBondContact O-CB 3.39Å; H97-V100 PolarHBondContact O-N 2.91Å; H97-R101 PolarHBondContact O-N 2.83Å; H97-R101 VanDerWaalsContact O-N 3.09Å
98	Q	98.1	Very high	98.1	Very high	47 Å²	47	39.3 Å²	39.3	22%	0.22	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-40.1	170.1	-173	57.1	54.1	0	0	111.8	S56 S94 N95 A96 R101 N102	S56-Q98 PolarHBondContact OG-OE1 2.66Å; S56-Q98 VanDerWaalsContact OG-OE1 3.13Å; S94-Q98 VanDerWaalsContact O-CB 3.31Å; S94-Q98 WeakPolarHBondContact O-CB 3.48Å; S94-Q98 PolarHBondContact O-N 2.85Å; N95-Q98 PolarHBondContact O-N 2.89Å; A96-Q98 PolarHBondContact O-N 2.98Å; Q98-R101 PolarHBondContact O-N 3.31Å; Q98-N102 PolarHBondContact NE2-OD1 3.07Å; Q98-N102 PolarHBondContact O-N 2.78Å; Q98-N102 PolarHBondContact O-OD1 3.36Å
99	N	97.5	Very high	98.2	Very high	78 Å²	78	35 Å²	35	42%	0.417	18%	0.18	S	C	.	.	H	α-helix	trans	-65.7	-39.4	177	-169.8	47.4	0	0	0	111.6	N95 A96 H97 R101 N102 I103	N95-N99 WeakPolarHBondContact O-CB 3.31Å; N95-N99 PolarHBondContact O-N 2.71Å; A96-N99 WeakPolarHBondContact O-CB 3.49Å; A96-N99 PolarHBondContact O-N 3.35Å; H97-N99 VanDerWaalsContact C-N 3.29Å; H97-N99 PolarHBondContact O-N 2.9Å; N99-R101 PolarHBondContact O-N 3Å; N99-N102 PolarHBondContact O-N 3.4Å; N99-N102 VanDerWaalsContact O-N 3.16Å; N99-I103 WeakPolarHBondContact O-CG1 3.23Å; N99-I103 PolarHBondContact O-N 3.34Å
100	V	98.4	Very high	98.2	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.024	19%	0.192	C	C	.	.	H	α-helix	trans	-57.1	-49.6	172.4	-178.1	0	0	0	0	110.8	E52 A96 H97 N102 I103 L104 L257 V259	E52-V100 HydrophobicContact CG-CB 4.35Å; E52-V100 HydrophobicContact CG-CG1 3.91Å; A96-V100 PolarHBondContact O-N 2.88Å; A96-V100 VanDerWaalsContact O-N 3.15Å; H97-V100 WeakPolarHBondContact O-CB 3.39Å; H97-V100 PolarHBondContact O-N 2.91Å; V100-N102 VanDerWaalsContact C-N 3.28Å; V100-N102 PolarHBondContact O-N 2.74Å; V100-I103 PolarHBondContact O-N 3.34Å; V100-L104 HydrophobicContact CG1-CD1 3.96Å; V100-L104 HydrophobicContact CG1-CG 4.26Å; V100-L104 VanDerWaalsContact O-CG 3.27Å; V100-L104 WeakPolarHBondContact O-CG 3.47Å; V100-L104 PolarHBondContact O-N 2.81Å; V100-L257 HydrophobicContact CG1-CD2 3.83Å; V100-V259 HydrophobicContact CG2-CG1 4.22Å; V100-V259 HydrophobicContact CG2-CG2 3.67Å
101	R	98.3	Very high	98.2	Very high	41 Å²	41	40.6 Å²	40.6	16%	0.155	21%	0.211	C	C	.	.	H	α-helix	trans	-55.8	-42.5	175.3	173.8	-102.2	159.4	-123.5	-10.8	112.2	A49 E52 K53 H97 Q98 N99 L104 I105 D106	A49-R101 HydrophobicContact CB-CG 4.04Å; A49-R101 VanDerWaalsContact O-CG 3.3Å; A49-R101 WeakPolarHBondContact O-CG 3.37Å; E52-R101 HydrophobicContact CB-CB 4.08Å; K53-R101 HydrophobicContact CB-CB 4.31Å; K53-R101 HydrophobicContact CB-CG 3.92Å; H97-R101 PolarHBondContact O-N 2.83Å; H97-R101 VanDerWaalsContact O-N 3.09Å; Q98-R101 PolarHBondContact O-N 3.31Å; N99-R101 PolarHBondContact O-N 3Å; R101-L104 PolarHBondContact O-N 2.85Å; R101-I105 PolarHBondContact O-N 3.38Å; R101-D106 IonicContact CZ-OD1 3.77Å; R101-D106 IonicContact NH1-OD1 2.68Å; R101-D106 PolarHBondContact NH1-OD1 3.27Å; R101-D106 VanDerWaalsContact NH1-OD1 3.16Å; R101-D106 IonicContact NH1-OD2 3.46Å; R101-D106 PolarHBondContact NH1-OD2 3.3Å; R101-D106 IonicContact NH2-OD1 3.47Å; R101-D106 PolarHBondContact NH2-OD1 2.85Å
102	N	98.3	Very high	98.2	Very high	51 Å²	51	37.5 Å²	37.5	27%	0.273	20%	0.196	S	C	.	.	H	α-helix	trans	-63.9	-47.4	-179.7	-63.9	-7.6	0	0	0	111.2	Q98 N99 V100 L104 I105 D106	Q98-N102 PolarHBondContact NE2-OD1 3.07Å; Q98-N102 PolarHBondContact O-N 2.78Å; Q98-N102 PolarHBondContact O-OD1 3.36Å; N99-N102 PolarHBondContact O-N 3.4Å; N99-N102 VanDerWaalsContact O-N 3.16Å; V100-N102 VanDerWaalsContact C-N 3.28Å; V100-N102 PolarHBondContact O-N 2.74Å; N102-L104 VanDerWaalsContact C-N 3.34Å; N102-L104 PolarHBondContact O-N 3.25Å; N102-I105 PolarHBondContact O-N 3.46Å; N102-D106 WeakPolarHBondContact CA-OD2 3.45Å; N102-D106 WeakPolarHBondContact CB-OD2 3.41Å; N102-D106 WeakPolarHBondContact O-CA 3.24Å; N102-D106 WeakPolarHBondContact O-CB 3.19Å; N102-D106 VanDerWaalsContact O-CG 3.3Å; N102-D106 PolarHBondContact O-N 3.11Å
103	I	98.2	Very high	98.3	Very high	19 Å²	19	40.9 Å²	40.9	10%	0.097	21%	0.205	C	C	.	.	I	π-helix	trans	-60.8	-43.2	176.1	-63.3	170.2	0	0	0	111.1	N99 V100 I105 E107 I108 A256	N99-I103 WeakPolarHBondContact O-CG1 3.23Å; N99-I103 PolarHBondContact O-N 3.34Å; V100-I103 PolarHBondContact O-N 3.34Å; I103-I105 PolarHBondContact O-N 3.04Å; I103-E107 WeakPolarHBondContact O-CB 3.49Å; I103-E107 PolarHBondContact O-N 2.95Å; I103-I108 HydrophobicContact CG2-CD1 4.1Å; I103-I108 HydrophobicContact CG2-CG1 4.37Å; I103-I108 PolarHBondContact O-N 3.48Å; I103-A256 HydrophobicContact CB-CB 4.45Å; I103-A256 HydrophobicContact CG2-CB 3.7Å
104	L	98.7	Very high	98.3	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.222	C	C	.	.	I	π-helix	trans	-59.9	-47.2	179.4	-71.4	173.9	0	0	0	112.6	I45 R48 A49 E52 V100 R101 N102 Q109 L253 A256 L257	I45-L104 HydrophobicContact CG2-CB 4.08Å; I45-L104 HydrophobicContact CG2-CD2 4.46Å; I45-L104 WeakPolarHBondContact CG2-O 3.43Å; R48-L104 HydrophobicContact CG-CD1 3.94Å; A49-L104 HydrophobicContact CB-CB 3.89Å; A49-L104 HydrophobicContact CB-CD1 3.95Å; E52-L104 HydrophobicContact CG-CD1 4.16Å; V100-L104 HydrophobicContact CG1-CD1 3.96Å; V100-L104 HydrophobicContact CG1-CG 4.26Å; V100-L104 VanDerWaalsContact O-CG 3.27Å; V100-L104 WeakPolarHBondContact O-CG 3.47Å; V100-L104 PolarHBondContact O-N 2.81Å; R101-L104 PolarHBondContact O-N 2.85Å; N102-L104 VanDerWaalsContact C-N 3.34Å; N102-L104 PolarHBondContact O-N 3.25Å; L104-Q109 WeakPolarHBondContact O-CB 3.24Å; L104-Q109 PolarHBondContact O-N 2.86Å; L104-L253 HydrophobicContact CD2-CD2 3.48Å; L104-L253 VanDerWaalsContact CD2-CD2 3.48Å; L104-A256 HydrophobicContact CD2-CB 4.13Å; L104-L257 HydrophobicContact CD1-CD2 3.95Å; L104-L257 HydrophobicContact CD2-CD2 4.02Å; L104-L257 HydrophobicContact CD2-CG 4.47Å; L104-L257 HydrophobicContact CG-CD2 4.4Å
105	I	98.7	Very high	98.3	Very high	17 Å²	17	45.9 Å²	45.9	9%	0.087	23%	0.227	C	C	.	.	I	π-helix	trans	-84.5	-54.8	-177.1	-60.4	-57.7	0	0	0	112	A49 R101 N102 I103 Q109 T110	A49-I105 HydrophobicContact CB-CD1 3.47Å; A49-I105 VanDerWaalsContact CB-CD1 3.47Å; A49-I105 HydrophobicContact CB-CG1 3.57Å; R101-I105 PolarHBondContact O-N 3.38Å; N102-I105 PolarHBondContact O-N 3.46Å; I103-I105 PolarHBondContact O-N 3.04Å; I105-Q109 WeakPolarHBondContact O-CB 3.33Å; I105-T110 PolarHBondContact O-N 2.71Å; I105-T110 PolarHBondContact O-OG1 2.76Å
106	D	98.4	Very high	98.3	Very high	81 Å²	81	42.7 Å²	42.7	43%	0.433	21%	0.209	S	C	.	.	I	π-helix	trans	-80.2	-30.5	-161.1	-47	-31.6	0	0	0	110.2	R101 N102 T110	R101-D106 IonicContact CZ-OD1 3.77Å; R101-D106 IonicContact NH1-OD1 2.68Å; R101-D106 PolarHBondContact NH1-OD1 3.27Å; R101-D106 VanDerWaalsContact NH1-OD1 3.16Å; R101-D106 IonicContact NH1-OD2 3.46Å; R101-D106 PolarHBondContact NH1-OD2 3.3Å; R101-D106 IonicContact NH2-OD1 3.47Å; R101-D106 PolarHBondContact NH2-OD1 2.85Å; N102-D106 WeakPolarHBondContact CA-OD2 3.45Å; N102-D106 WeakPolarHBondContact CB-OD2 3.41Å; N102-D106 WeakPolarHBondContact O-CA 3.24Å; N102-D106 WeakPolarHBondContact O-CB 3.19Å; N102-D106 VanDerWaalsContact O-CG 3.3Å; N102-D106 PolarHBondContact O-N 3.11Å; D106-T110 VanDerWaalsContact O-CB 3.25Å; D106-T110 WeakPolarHBondContact O-CB 3.29Å; D106-T110 PolarHBondContact O-OG1 2.87Å
107	E	98.2	Very high	98.3	Very high	120 Å²	120	49.1 Å²	49.1	56%	0.561	24%	0.236	S	C	*	.	I	π-helix	trans	-96.4	-70.5	172.1	-59.5	171.1	-146.8	0	0	111.8	I103 T110 E111	I103-E107 WeakPolarHBondContact O-CB 3.49Å; I103-E107 PolarHBondContact O-N 2.95Å; E107-T110 WeakPolarHBondContact O-CB 3.47Å; E107-T110 PolarHBondContact O-N 2.78Å; E107-E111 WeakPolarHBondContact O-CB 3.29Å; E107-E111 PolarHBondContact O-N 3.04Å
108	I	98.7	Very high	98.3	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	25%	0.252	C	S	.	.	I	π-helix	trans	-70.6	-47.3	-164.2	-57.8	174.5	0	0	0	112.4	I45 I103 T110 E111 V112 I249 S252 L253 A256	I45-I108 HydrophobicContact CD1-CG2 4.09Å; I103-I108 HydrophobicContact CG2-CD1 4.1Å; I103-I108 HydrophobicContact CG2-CG1 4.37Å; I103-I108 PolarHBondContact O-N 3.48Å; I108-T110 VanDerWaalsContact C-N 3.28Å; I108-T110 PolarHBondContact O-N 3.32Å; I108-E111 WeakPolarHBondContact O-CB 3.43Å; I108-E111 PolarHBondContact O-N 2.9Å; I108-V112 WeakPolarHBondContact O-CG2 3.13Å; I108-V112 PolarHBondContact O-N 3.42Å; I108-I249 HydrophobicContact CG2-CD1 4.13Å; I108-I249 HydrophobicContact CG2-CG2 3.87Å; I108-S252 WeakPolarHBondContact CD1-O 3.47Å; I108-L253 HydrophobicContact CD1-CD2 3.97Å; I108-L253 HydrophobicContact CD1-CG 4.34Å; I108-L253 HydrophobicContact CG2-CD2 3.93Å; I108-L253 HydrophobicContact CG2-CG 4.08Å; I108-A256 HydrophobicContact CD1-CB 3.71Å
109	Q	98.7	Very high	98.2	Very high	7 Å²	7	52.5 Å²	52.5	3%	0.033	25%	0.251	C	S	.	.	I	π-helix	trans	-66	-34.3	177.8	-161.7	-159.8	65.4	0	0	111.4	C42 I45 L104 I105 K113	C42-Q109 HydrophobicContact CB-CG 4.05Å; C42-Q109 PolarHBondContact O-NE2 3.15Å; I45-Q109 HydrophobicContact CG2-CB 3.92Å; I45-Q109 HydrophobicContact CG2-CG 4.35Å; L104-Q109 WeakPolarHBondContact O-CB 3.24Å; L104-Q109 PolarHBondContact O-N 2.86Å; I105-Q109 WeakPolarHBondContact O-CB 3.33Å; Q109-K113 HydrophobicContact CG-CD 4.49Å; Q109-K113 WeakPolarHBondContact O-CB 3.32Å; Q109-K113 WeakPolarHBondContact O-CD 3.45Å; Q109-K113 VanDerWaalsContact O-CG 3.28Å; Q109-K113 WeakPolarHBondContact O-CG 3.46Å; Q109-K113 PolarHBondContact O-N 2.87Å
110	T	98.6	Very high	98.2	Very high	73 Å²	73	49.2 Å²	49.2	45%	0.448	23%	0.233	S	C	.	.	H	α-helix	trans	-62.2	-44	172	-59.7	0	0	0	0	111.4	I105 D106 E107 I108 K113 Q114	I105-T110 PolarHBondContact O-N 2.71Å; I105-T110 PolarHBondContact O-OG1 2.76Å; D106-T110 VanDerWaalsContact O-CB 3.25Å; D106-T110 WeakPolarHBondContact O-CB 3.29Å; D106-T110 PolarHBondContact O-OG1 2.87Å; E107-T110 WeakPolarHBondContact O-CB 3.47Å; E107-T110 PolarHBondContact O-N 2.78Å; I108-T110 VanDerWaalsContact C-N 3.28Å; I108-T110 PolarHBondContact O-N 3.32Å; T110-K113 PolarHBondContact O-N 2.79Å; T110-Q114 WeakPolarHBondContact O-CB 3.48Å; T110-Q114 PolarHBondContact O-N 3.05Å
111	E	98.6	Very high	98.1	Very high	84 Å²	84	52.8 Å²	52.8	39%	0.393	25%	0.25	S	C	.	.	H	α-helix	trans	-59.8	-48.1	176.9	-168.8	-179	-176.4	0	0	111.5	E107 I108 K113 Q114 W115 F245 I249	E107-E111 WeakPolarHBondContact O-CB 3.29Å; E107-E111 PolarHBondContact O-N 3.04Å; I108-E111 WeakPolarHBondContact O-CB 3.43Å; I108-E111 PolarHBondContact O-N 2.9Å; E111-K113 VanDerWaalsContact C-N 3.35Å; E111-K113 PolarHBondContact O-N 3.07Å; E111-Q114 PolarHBondContact O-N 2.86Å; E111-W115 WeakPolarHBondContact O-CB 3.49Å; E111-W115 PolarHBondContact O-N 2.78Å; E111-F245 HydrophobicContact CG-CE2 4.02Å; E111-F245 HydrophobicContact CG-CZ 4.21Å; E111-I249 HydrophobicContact CB-CD1 4.16Å; E111-I249 HydrophobicContact CG-CD1 3.98Å; E111-I249 WeakPolarHBondContact OE2-CD1 3.4Å
112	V	98.8	Very high	97.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-43.7	175.1	-180	0	0	0	0	111.8	C38 L41 C42 I45 I108 Q116 F245 I249	C38-V112 HydrophobicContact CB-CG1 4.27Å; L41-V112 HydrophobicContact CD2-CG1 4.4Å; L41-V112 HydrophobicContact CD2-CG2 4.13Å; C42-V112 WeakPolarHBondContact SG-CG1 3.43Å; I45-V112 HydrophobicContact CD1-CG2 4.36Å; I108-V112 WeakPolarHBondContact O-CG2 3.13Å; I108-V112 PolarHBondContact O-N 3.42Å; V112-Q116 VanDerWaalsContact O-CB 3.25Å; V112-Q116 WeakPolarHBondContact O-CB 3.42Å; V112-Q116 PolarHBondContact O-N 2.76Å; V112-F245 HydrophobicContact CG2-CE1 4.28Å; V112-F245 HydrophobicContact CG2-CZ 4.27Å; V112-I249 HydrophobicContact CG2-CD1 3.81Å; V112-I249 HydrophobicContact CG2-CG1 3.92Å; V112-I249 HydrophobicContact CG2-CG2 3.87Å
113	K	98.5	Very high	97.2	Very high	101 Å²	101	54.1 Å²	54.1	44%	0.439	26%	0.258	S	S	.	.	H	α-helix	trans	-64.7	-39.9	177.7	-75.1	167.5	175.4	171.7	0	112.5	Q109 T110 E111 K117	Q109-K113 HydrophobicContact CG-CD 4.49Å; Q109-K113 WeakPolarHBondContact O-CB 3.32Å; Q109-K113 WeakPolarHBondContact O-CD 3.45Å; Q109-K113 VanDerWaalsContact O-CG 3.28Å; Q109-K113 WeakPolarHBondContact O-CG 3.46Å; Q109-K113 PolarHBondContact O-N 2.87Å; T110-K113 PolarHBondContact O-N 2.79Å; E111-K113 VanDerWaalsContact C-N 3.35Å; E111-K113 PolarHBondContact O-N 3.07Å; K113-K117 WeakPolarHBondContact O-CB 3.36Å; K113-K117 PolarHBondContact O-N 2.75Å; K113-K117 VanDerWaalsContact O-N 3.12Å
114	Q	98.3	Very high	96.3	Very high	82 Å²	82	59.1 Å²	59.1	38%	0.383	29%	0.294	S	S	.	.	H	α-helix	trans	-70.7	-47.1	179.3	-178.2	58.4	25	0	0	110.8	T110 E111 Q116 K117 E118	T110-Q114 WeakPolarHBondContact O-CB 3.48Å; T110-Q114 PolarHBondContact O-N 3.05Å; E111-Q114 PolarHBondContact O-N 2.86Å; Q114-Q116 PolarHBondContact O-N 2.74Å; Q114-K117 WeakPolarHBondContact O-CB 3.32Å; Q114-K117 PolarHBondContact O-N 3.37Å; Q114-K117 VanDerWaalsContact O-N 3.14Å; Q114-E118 PolarHBondContact NE2-OE1 3.36Å; Q114-E118 WeakPolarHBondContact O-CG 3.48Å; Q114-E118 PolarHBondContact O-N 2.88Å
115	W	98.6	Very high	95.4	Very high	27 Å²	27	65.1 Å²	65.1	10%	0.102	33%	0.326	C	S	.	.	H	α-helix	trans	-58.3	-46.2	175	-173.9	91.2	0	0	0	111.6	E111 K117 E118 H119 F120 R242 F245	E111-W115 WeakPolarHBondContact O-CB 3.49Å; E111-W115 PolarHBondContact O-N 2.78Å; W115-K117 VanDerWaalsContact C-N 3.29Å; W115-K117 PolarHBondContact O-N 3.44Å; W115-E118 PolarHBondContact O-N 2.88Å; W115-E118 VanDerWaalsContact O-N 3.14Å; W115-H119 AromaticContact CD1-CE1 3.34Å; W115-H119 AromaticContact CD1-ND1 3.64Å; W115-H119 AromaticContact CD2-ND1 3.67Å; W115-H119 AromaticContact CE2-CD2 3.77Å; W115-H119 AromaticContact CE2-CE1 3.53Å; W115-H119 AromaticContact CE2-CG 3.63Å; W115-H119 AromaticContact CE2-ND1 3.45Å; W115-H119 AromaticContact CE2-NE2 3.7Å; W115-H119 AromaticContact CG-CE1 3.91Å; W115-H119 AromaticContact CG-ND1 3.74Å; W115-H119 HydrophobicContact CH2-CB 4.14Å; W115-H119 HydrophobicContact CZ2-CB 4.18Å; W115-H119 AromaticContact CZ2-CD2 3.57Å; W115-H119 AromaticContact CZ2-CG 3.62Å; W115-H119 AromaticContact CZ2-ND1 3.95Å; W115-H119 AromaticContact CZ2-NE2 3.91Å; W115-H119 HydrophobicContact CZ3-CB 4.42Å; W115-H119 AromaticContact NE1-CD2 3.93Å; W115-H119 AromaticContact NE1-CE1 3.07Å; W115-H119 PolarHBondContact NE1-CE1 3.43Å; W115-H119 AromaticContact NE1-CG 4Å; W115-H119 AromaticContact NE1-ND1 3.47Å; W115-H119 PolarHBondContact NE1-ND1 3.43Å; W115-H119 AromaticContact NE1-NE2 3.35Å; W115-H119 PolarHBondContact NE1-NE2 2.98Å; W115-H119 PolarHBondContact O-N 3.29Å; W115-H119 PolarHBondContact O-ND1 3.37Å; W115-F120 HydrophobicContact CH2-CE2 4.26Å; W115-F120 AromaticContact CZ3-CE2 3.73Å; W115-F120 HydrophobicContact CZ3-CE2 3.73Å; W115-F120 HydrophobicContact CZ3-CZ 4.41Å; W115-R242 HydrophobicContact CH2-CB 3.65Å; W115-R242 HydrophobicContact CH2-CG 3.72Å; W115-R242 HydrophobicContact CZ2-CB 4.29Å; W115-R242 HydrophobicContact CZ3-CB 4.46Å; W115-R242 HydrophobicContact CZ3-CG 4.04Å; W115-F245 HydrophobicContact CB-CD1 4.19Å; W115-F245 HydrophobicContact CB-CD2 4.39Å; W115-F245 HydrophobicContact CB-CE1 3.59Å; W115-F245 HydrophobicContact CB-CE2 3.82Å; W115-F245 HydrophobicContact CB-CZ 3.37Å; W115-F245 AromaticContact CD1-CD1 3.99Å; W115-F245 AromaticContact CD1-CD2 3.57Å; W115-F245 AromaticContact CD1-CE2 3.82Å; W115-F245 AromaticContact CD1-CG 3.67Å; W115-F245 HydrophobicContact CD2-CB 4.33Å; W115-F245 AromaticContact CD2-CD1 3.31Å; W115-F245 HydrophobicContact CD2-CD1 3.31Å; W115-F245 HydrophobicContact CD2-CD2 4.32Å; W115-F245 AromaticContact CD2-CE1 3.6Å; W115-F245 HydrophobicContact CD2-CE1 3.6Å; W115-F245 AromaticContact CD2-CG 3.72Å; W115-F245 HydrophobicContact CD2-CG 3.72Å; W115-F245 HydrophobicContact CD2-CZ 4.21Å; W115-F245 AromaticContact CE2-CD1 3.76Å; W115-F245 AromaticContact CE2-CG 3.75Å; W115-F245 AromaticContact CE3-CD1 3.53Å; W115-F245 HydrophobicContact CE3-CD1 3.53Å; W115-F245 AromaticContact CE3-CE1 3.73Å; W115-F245 HydrophobicContact CE3-CE1 3.73Å; W115-F245 HydrophobicContact CE3-CG 4.36Å; W115-F245 AromaticContact CG-CD1 3.57Å; W115-F245 HydrophobicContact CG-CD1 3.57Å; W115-F245 AromaticContact CG-CD2 3.84Å; W115-F245 HydrophobicContact CG-CD2 3.84Å; W115-F245 AromaticContact CG-CE1 3.51Å; W115-F245 HydrophobicContact CG-CE1 3.51Å; W115-F245 AromaticContact CG-CE2 3.78Å; W115-F245 HydrophobicContact CG-CE2 3.78Å; W115-F245 AromaticContact CG-CG 3.74Å; W115-F245 HydrophobicContact CG-CG 3.74Å; W115-F245 AromaticContact CG-CZ 3.61Å; W115-F245 HydrophobicContact CG-CZ 3.61Å; W115-F245 HydrophobicContact CZ2-CB 4.24Å; W115-F245 HydrophobicContact CZ2-CD1 4.42Å; W115-F245 HydrophobicContact CZ2-CG 4.49Å; W115-F245 HydrophobicContact CZ3-CD1 4.18Å; W115-F245 AromaticContact NE1-CD2 3.94Å; W115-F245 AromaticContact NE1-CG 3.65Å
116	Q	98	Very high	94.5	Very high	21 Å²	21	69.9 Å²	69.9	10%	0.098	36%	0.358	C	S	.	.	H	α-helix	trans	-58.4	-40.3	176.5	-171.4	-161.9	48.6	0	0	111.9	Y35 C38 N39 V112 Q114 E118 F120	Y35-Q116 HydrophobicContact CD2-CG 3.82Å; Y35-Q116 HydrophobicContact CE2-CG 3.72Å; Y35-Q116 PolarHBondContact O-NE2 2.91Å; Y35-Q116 VanDerWaalsContact O-NE2 3.1Å; C38-Q116 HydrophobicContact CB-CB 4.09Å; C38-Q116 HydrophobicContact CB-CG 3.77Å; N39-Q116 PolarHBondContact OD1-NE2 3.36Å; V112-Q116 VanDerWaalsContact O-CB 3.25Å; V112-Q116 WeakPolarHBondContact O-CB 3.42Å; V112-Q116 PolarHBondContact O-N 2.76Å; Q114-Q116 PolarHBondContact O-N 2.74Å; Q116-E118 VanDerWaalsContact C-N 3.35Å; Q116-F120 HydrophobicContact CB-CD2 4.46Å; Q116-F120 HydrophobicContact CG-CD2 3.78Å; Q116-F120 HydrophobicContact CG-CE2 4.4Å; Q116-F120 WeakPolarHBondContact O-CB 3.41Å; Q116-F120 WeakPolarHBondContact O-CD2 3.38Å; Q116-F120 PolarHBondContact O-N 2.69Å
117	K	96.9	Very high	93.6	Very high	143 Å²	143	71 Å²	71	62%	0.622	37%	0.369	S	S	*	.	H	α-helix	trans	-69.1	-30.6	178.8	177.8	-175.1	169.1	-165	0	113.1	K113 Q114 W115	K113-K117 WeakPolarHBondContact O-CB 3.36Å; K113-K117 PolarHBondContact O-N 2.75Å; K113-K117 VanDerWaalsContact O-N 3.12Å; Q114-K117 WeakPolarHBondContact O-CB 3.32Å; Q114-K117 PolarHBondContact O-N 3.37Å; Q114-K117 VanDerWaalsContact O-N 3.14Å; W115-K117 VanDerWaalsContact C-N 3.29Å; W115-K117 PolarHBondContact O-N 3.44Å
118	E	97.4	Very high	92.6	Very high	105 Å²	105	71.9 Å²	71.9	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-78.5	-33.6	177.4	-71.9	171.4	178.9	0	0	112.8	Q114 W115 Q116 H121	Q114-E118 PolarHBondContact NE2-OE1 3.36Å; Q114-E118 WeakPolarHBondContact O-CG 3.48Å; Q114-E118 PolarHBondContact O-N 2.88Å; W115-E118 PolarHBondContact O-N 2.88Å; W115-E118 VanDerWaalsContact O-N 3.14Å; Q116-E118 VanDerWaalsContact C-N 3.35Å; E118-H121 PolarHBondContact O-CE1 3.1Å
119	H	97.1	Very high	92.1	Very high	43 Å²	43	73.7 Å²	73.7	20%	0.199	39%	0.385	C	S	.	.	H	α-helix	trans	-98.8	-18	-173.5	-62.8	70.8	0	0	0	113.7	W115	W115-H119 AromaticContact CD1-CE1 3.34Å; W115-H119 AromaticContact CD1-ND1 3.64Å; W115-H119 AromaticContact CD2-ND1 3.67Å; W115-H119 AromaticContact CE2-CD2 3.77Å; W115-H119 AromaticContact CE2-CE1 3.53Å; W115-H119 AromaticContact CE2-CG 3.63Å; W115-H119 AromaticContact CE2-ND1 3.45Å; W115-H119 AromaticContact CE2-NE2 3.7Å; W115-H119 AromaticContact CG-CE1 3.91Å; W115-H119 AromaticContact CG-ND1 3.74Å; W115-H119 HydrophobicContact CH2-CB 4.14Å; W115-H119 HydrophobicContact CZ2-CB 4.18Å; W115-H119 AromaticContact CZ2-CD2 3.57Å; W115-H119 AromaticContact CZ2-CG 3.62Å; W115-H119 AromaticContact CZ2-ND1 3.95Å; W115-H119 AromaticContact CZ2-NE2 3.91Å; W115-H119 HydrophobicContact CZ3-CB 4.42Å; W115-H119 AromaticContact NE1-CD2 3.93Å; W115-H119 AromaticContact NE1-CE1 3.07Å; W115-H119 PolarHBondContact NE1-CE1 3.43Å; W115-H119 AromaticContact NE1-CG 4Å; W115-H119 AromaticContact NE1-ND1 3.47Å; W115-H119 PolarHBondContact NE1-ND1 3.43Å; W115-H119 AromaticContact NE1-NE2 3.35Å; W115-H119 PolarHBondContact NE1-NE2 2.98Å; W115-H119 PolarHBondContact O-N 3.29Å; W115-H119 PolarHBondContact O-ND1 3.37Å
120	F	97	Very high	91.9	Very high	9 Å²	9	73.6 Å²	73.6	4%	0.039	39%	0.385	C	S	.	.			trans	-128.6	111.9	-178.2	-58.3	-75	0	0	0	113	V31 A34 Y35 W115 Q116 L130 F238	V31-F120 HydrophobicContact CG1-CD1 4.37Å; V31-F120 HydrophobicContact CG1-CE1 4.07Å; A34-F120 HydrophobicContact CB-CE1 4.17Å; A34-F120 HydrophobicContact CB-CZ 3.74Å; Y35-F120 HydrophobicContact CD2-CB 3.62Å; Y35-F120 HydrophobicContact CD2-CD1 4.41Å; Y35-F120 AromaticContact CD2-CD2 3.88Å; Y35-F120 HydrophobicContact CD2-CD2 3.88Å; Y35-F120 AromaticContact CD2-CG 3.74Å; Y35-F120 HydrophobicContact CD2-CG 3.74Å; Y35-F120 HydrophobicContact CE2-CB 4.27Å; Y35-F120 HydrophobicContact CG-CG 4.41Å; W115-F120 HydrophobicContact CH2-CE2 4.26Å; W115-F120 AromaticContact CZ3-CE2 3.73Å; W115-F120 HydrophobicContact CZ3-CE2 3.73Å; W115-F120 HydrophobicContact CZ3-CZ 4.41Å; Q116-F120 HydrophobicContact CB-CD2 4.46Å; Q116-F120 HydrophobicContact CG-CD2 3.78Å; Q116-F120 HydrophobicContact CG-CE2 4.4Å; Q116-F120 WeakPolarHBondContact O-CB 3.41Å; Q116-F120 WeakPolarHBondContact O-CD2 3.38Å; Q116-F120 PolarHBondContact O-N 2.69Å; F120-L130 HydrophobicContact CB-CD2 4.15Å; F120-L130 HydrophobicContact CD1-CD1 3.88Å; F120-F238 HydrophobicContact CD1-CE1 4.47Å; F120-F238 HydrophobicContact CD1-CZ 4.01Å; F120-F238 AromaticContact CE1-CE1 3.64Å; F120-F238 HydrophobicContact CE1-CE1 3.64Å; F120-F238 AromaticContact CE1-CZ 3.57Å; F120-F238 HydrophobicContact CE1-CZ 3.57Å; F120-F238 HydrophobicContact CZ-CE1 4.11Å; F120-F238 HydrophobicContact CZ-CZ 4.12Å
121	H	96.1	Very high	91.8	Very high	80 Å²	80	75.8 Å²	75.8	37%	0.37	39%	0.388	S	S	.	.			trans	-104.5	107.6	-177.2	-60.2	89.2	0	0	0	111	E118 K131 E132	E118-H121 PolarHBondContact O-CE1 3.1Å; H121-K131 HydrophobicContact CB-CB 4.23Å; H121-K131 HydrophobicContact CB-CD 3.7Å; H121-K131 HydrophobicContact CB-CG 4.08Å; H121-K131 WeakPolarHBondContact O-CG 3.48Å; H121-K131 PolarHBondContact O-N 2.99Å; H121-E132 WeakPolarHBondContact CB-OE1 3.49Å; H121-E132 IonicContact CE1-OE1 2.75Å; H121-E132 IonicContact CG-OE1 3.16Å; H121-E132 PolarHBondContact N-OE1 2.91Å; H121-E132 PolarHBondContact N-OE2 2.8Å; H121-E132 IonicContact ND1-OE1 2.9Å; H121-E132 PolarHBondContact ND1-OE1 3.3Å
122	K	92.5	Very high	91.7	Very high	93 Å²	93	73.1 Å²	73.1	40%	0.404	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-62.9	138.8	172.3	-67.1	-174.2	177.5	-177.5	0	111.5	Y35 L130	Y35-K122 VanDerWaalsContact CZ-CE 3.42Å; Y35-K122 WeakPolarHBondContact OH-CE 3.3Å; Y35-K122 PolarHBondContact OH-NZ 3.28Å; K122-L130 HydrophobicContact CG-CD2 4.13Å
123	S	84.6	Confident	91.6	Very high	27 Å²	27	73.9 Å²	73.9	19%	0.189	38%	0.38	C	S	.	.			trans	-71.2	139.6	169.2	-163.7	0	0	0	0	110.8	L125 T129	S123-L125 PolarHBondContact O-N 2.89Å; S123-T129 WeakPolarHBondContact CB-O 3.45Å; S123-T129 PolarHBondContact N-O 3.36Å
124	S	81.1	Confident	91.5	Very high	123 Å²	123	73.3 Å²	73.3	86%	0.86	38%	0.377	S	S	*	.	S	Bend	trans	-72.1	-13.4	178	-46.6	0	0	0	0	113.9
125	L	79.4	Confident	91.4	Very high	128 Å²	128	74 Å²	74	67%	0.67	38%	0.38	S	S	*	.	S	Bend	trans	-100	132.6	179.4	-67.4	172.6	0	0	0	110.2	S123 P127	S123-L125 PolarHBondContact O-N 2.89Å; L125-P127 CarbonylContact O-C 3.52Å
126	P	78.2	Confident	91.4	Very high	117 Å²	117	73.6 Å²	73.6	76%	0.76	38%	0.38	S	S	*	.	S	Bend	trans	-62.7	145.9	169.9	-22.2	33.9	0	0	0	112.4
127	P	80.7	Confident	91.3	Very high	104 Å²	104	74.8 Å²	74.8	68%	0.675	39%	0.385	S	S	*	.	S	Bend	cis	-68.3	147.5	-9.9	29.9	-35.1	0	0	0	111.8	L125 T129	L125-P127 CarbonylContact O-C 3.52Å; P127-T129 VanDerWaalsContact C-N 3.27Å; P127-T129 HydrophobicContact CG-CG2 4.45Å; P127-T129 PolarHBondContact O-N 3.35Å
128	Q	77.5	Confident	91.4	Very high	139 Å²	139	72.6 Å²	72.6	65%	0.65	38%	0.377	S	S	*	.			trans	-69.4	78.2	-178.7	-69.4	-174.4	7.1	0	0	112.1
129	T	88	Confident	91.4	Very high	42 Å²	42	68.8 Å²	68.8	26%	0.258	36%	0.36	S	S	.	.			trans	-81.4	149.5	170.3	59.3	0	0	0	0	110.9	S123 P127 K134	S123-T129 WeakPolarHBondContact CB-O 3.45Å; S123-T129 PolarHBondContact N-O 3.36Å; P127-T129 VanDerWaalsContact C-N 3.27Å; P127-T129 HydrophobicContact CG-CG2 4.45Å; P127-T129 PolarHBondContact O-N 3.35Å; T129-K134 WeakPolarHBondContact OG1-CD 3.33Å; T129-K134 WeakPolarHBondContact OG1-CE 3.06Å; T129-K134 PolarHBondContact OG1-NZ 3.19Å
130	L	95.2	Very high	91.5	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.026	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-70.7	144.2	167.5	-52.9	174.7	0	0	0	110.6	V31 Y35 F120 K122 E132 K134	V31-L130 HydrophobicContact CG1-CD1 4.29Å; Y35-L130 HydrophobicContact CD1-CD2 4.49Å; Y35-L130 HydrophobicContact CD2-CD2 4.12Å; Y35-L130 HydrophobicContact CG-CD1 3.95Å; Y35-L130 HydrophobicContact CG-CD2 4.11Å; F120-L130 HydrophobicContact CB-CD2 4.15Å; F120-L130 HydrophobicContact CD1-CD1 3.88Å; K122-L130 HydrophobicContact CG-CD2 4.13Å; L130-E132 VanDerWaalsContact C-N 3.27Å; L130-K134 PolarHBondContact O-N 3.36Å
131	K	95.7	Very high	91.5	Very high	118 Å²	118	70.7 Å²	70.7	51%	0.513	37%	0.369	S	S	.	.	H	α-helix	trans	-66.1	-35.8	174.9	-71.8	-179.2	-162.8	168.9	0	110.7	H121 K134 Q135	H121-K131 HydrophobicContact CB-CB 4.23Å; H121-K131 HydrophobicContact CB-CD 3.7Å; H121-K131 HydrophobicContact CB-CG 4.08Å; H121-K131 WeakPolarHBondContact O-CG 3.48Å; H121-K131 PolarHBondContact O-N 2.99Å; K131-K134 WeakPolarHBondContact O-CB 2.94Å; K131-K134 PolarHBondContact O-N 3.18Å; K131-Q135 WeakPolarHBondContact O-CB 3.48Å; K131-Q135 PolarHBondContact O-N 3.18Å
132	E	96.8	Very high	91.6	Very high	29 Å²	29	72.4 Å²	72.4	14%	0.136	38%	0.38	C	S	.	.	H	α-helix	trans	-64.4	-49.7	-178.2	-62	67.7	-143.9	0	0	110.3	V31 H121 L130 K134 Q135 F136 F238	V31-E132 HydrophobicContact CG1-CB 3.91Å; H121-E132 WeakPolarHBondContact CB-OE1 3.49Å; H121-E132 IonicContact CE1-OE1 2.75Å; H121-E132 IonicContact CG-OE1 3.16Å; H121-E132 PolarHBondContact N-OE1 2.91Å; H121-E132 PolarHBondContact N-OE2 2.8Å; H121-E132 IonicContact ND1-OE1 2.9Å; H121-E132 PolarHBondContact ND1-OE1 3.3Å; L130-E132 VanDerWaalsContact C-N 3.27Å; E132-K134 VanDerWaalsContact C-N 3.33Å; E132-K134 PolarHBondContact O-N 3.13Å; E132-Q135 PolarHBondContact O-N 3.42Å; E132-Q135 VanDerWaalsContact O-N 3.14Å; E132-F136 WeakPolarHBondContact O-CD2 3.32Å; E132-F136 PolarHBondContact O-N 2.83Å; E132-F238 HydrophobicContact CB-CZ 4.45Å; E132-F238 HydrophobicContact CG-CE2 4.23Å; E132-F238 HydrophobicContact CG-CZ 4.27Å
133	T	96.7	Very high	91.9	Very high	15 Å²	15	68.8 Å²	68.8	9%	0.092	37%	0.367	C	S	.	.	H	α-helix	trans	-54.7	-47.2	172	-52.2	0	0	0	0	111.3	V28 V31 D32 Q135 E137	V28-T133 HydrophobicContact CG1-CG2 3.55Å; V31-T133 WeakPolarHBondContact CG1-OG1 3.38Å; D32-T133 WeakPolarHBondContact OD1-CB 3.5Å; D32-T133 WeakPolarHBondContact OD1-CG2 2.98Å; D32-T133 PolarHBondContact OD1-OG1 3.15Å; D32-T133 WeakPolarHBondContact OD2-CG2 3.27Å; T133-Q135 PolarHBondContact O-N 2.89Å; T133-E137 WeakPolarHBondContact O-CB 3.26Å; T133-E137 PolarHBondContact O-N 3.19Å
134	K	95.1	Very high	92.5	Very high	89 Å²	89	67.9 Å²	67.9	39%	0.387	36%	0.36	S	S	.	.	H	α-helix	trans	-62.8	-38.1	176.9	-86.2	177.4	164.7	160.4	0	113.1	T129 L130 K131 E132 Q138	T129-K134 WeakPolarHBondContact OG1-CD 3.33Å; T129-K134 WeakPolarHBondContact OG1-CE 3.06Å; T129-K134 PolarHBondContact OG1-NZ 3.19Å; L130-K134 PolarHBondContact O-N 3.36Å; K131-K134 WeakPolarHBondContact O-CB 2.94Å; K131-K134 PolarHBondContact O-N 3.18Å; E132-K134 VanDerWaalsContact C-N 3.33Å; E132-K134 PolarHBondContact O-N 3.13Å; K134-Q138 VanDerWaalsContact O-CG 3.26Å; K134-Q138 WeakPolarHBondContact O-CG 3.44Å; K134-Q138 PolarHBondContact O-N 3.03Å; K134-Q138 VanDerWaalsContact O-N 3.14Å
135	Q	96.8	Very high	93.2	Very high	96 Å²	96	68.8 Å²	68.8	45%	0.449	35%	0.349	S	S	.	.	H	α-helix	trans	-69.3	-46.4	179.5	-173.1	63.1	59	0	0	111.2	K131 E132 T133 Q138 D139	K131-Q135 WeakPolarHBondContact O-CB 3.48Å; K131-Q135 PolarHBondContact O-N 3.18Å; E132-Q135 PolarHBondContact O-N 3.42Å; E132-Q135 VanDerWaalsContact O-N 3.14Å; T133-Q135 PolarHBondContact O-N 2.89Å; Q135-Q138 PolarHBondContact O-N 2.97Å; Q135-D139 PolarHBondContact NE2-OD1 3.47Å; Q135-D139 WeakPolarHBondContact O-CB 3.16Å; Q135-D139 VanDerWaalsContact O-CG 3.24Å; Q135-D139 PolarHBondContact O-N 3.44Å
136	F	98.1	Very high	94	Very high	20 Å²	20	66.4 Å²	66.4	9%	0.088	33%	0.334	C	S	.	.	H	α-helix	trans	-66	-38.8	178.7	-69.2	-57.3	0	0	0	112.5	V28 V31 E132 D139 F140 R234 T235 F238	V28-F136 HydrophobicContact CG2-CB 4.32Å; V31-F136 HydrophobicContact CG2-CD2 3.91Å; V31-F136 HydrophobicContact CG2-CE2 4.15Å; E132-F136 WeakPolarHBondContact O-CD2 3.32Å; E132-F136 PolarHBondContact O-N 2.83Å; F136-D139 PolarHBondContact O-N 3.5Å; F136-F140 WeakPolarHBondContact O-CD2 3.04Å; F136-F140 PolarHBondContact O-N 2.82Å; F136-R234 HydrophobicContact CE1-CB 4.03Å; F136-T235 HydrophobicContact CB-CG2 4.21Å; F136-T235 HydrophobicContact CD1-CG2 3.45Å; F136-T235 VanDerWaalsContact CD1-CG2 3.45Å; F136-T235 HydrophobicContact CD2-CG2 4.17Å; F136-T235 HydrophobicContact CE1-CG2 3.7Å; F136-T235 HydrophobicContact CE2-CG2 4.38Å; F136-T235 HydrophobicContact CG-CG2 3.7Å; F136-T235 HydrophobicContact CZ-CG2 4.16Å; F136-F238 HydrophobicContact CE2-CB 4.49Å; F136-F238 HydrophobicContact CE2-CG 4.29Å; F136-F238 HydrophobicContact CZ-CB 4.22Å; F136-F238 HydrophobicContact CZ-CG 4.42Å
137	E	97.5	Very high	94.9	Very high	45 Å²	45	62.7 Å²	62.7	21%	0.21	31%	0.305	C	S	.	.	H	α-helix	trans	-57.9	-49.6	172.5	-174	62.5	-138.6	0	0	111.2	Y24 H25 V28 T133 D139 F140 E141	Y24-E137 VanDerWaalsContact CE2-OE1 3.23Å; Y24-E137 WeakPolarHBondContact CE2-OE1 3.45Å; Y24-E137 PolarHBondContact OH-OE1 2.83Å; H25-E137 IonicContact ND1-OE2 2.73Å; V28-E137 HydrophobicContact CG1-CB 4.3Å; T133-E137 WeakPolarHBondContact O-CB 3.26Å; T133-E137 PolarHBondContact O-N 3.19Å; E137-D139 PolarHBondContact O-N 2.58Å; E137-F140 PolarHBondContact O-N 3.5Å; E137-E141 WeakPolarHBondContact O-CB 3.39Å; E137-E141 WeakPolarHBondContact O-CG 3.34Å; E137-E141 PolarHBondContact O-N 2.98Å
138	Q	97.6	Very high	95.6	Very high	98 Å²	98	58.8 Å²	58.8	46%	0.458	28%	0.28	S	S	.	.	H	α-helix	trans	-61.4	-41.7	178	-73.7	173.2	27.7	0	0	112.5	K134 Q135 E141 I142	K134-Q138 VanDerWaalsContact O-CG 3.26Å; K134-Q138 WeakPolarHBondContact O-CG 3.44Å; K134-Q138 PolarHBondContact O-N 3.03Å; K134-Q138 VanDerWaalsContact O-N 3.14Å; Q135-Q138 PolarHBondContact O-N 2.97Å; Q138-E141 PolarHBondContact O-N 2.71Å; Q138-I142 WeakPolarHBondContact O-CB 3.21Å; Q138-I142 WeakPolarHBondContact O-CD1 3.41Å; Q138-I142 WeakPolarHBondContact O-CG1 3.23Å; Q138-I142 PolarHBondContact O-N 2.91Å
139	D	98.4	Very high	96.5	Very high	24 Å²	24	59.2 Å²	59.2	13%	0.128	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-42.1	179.9	-74.3	3	0	0	0	111.7	Q135 F136 E137 I142 A143 V231 R234	Q135-D139 PolarHBondContact NE2-OD1 3.47Å; Q135-D139 WeakPolarHBondContact O-CB 3.16Å; Q135-D139 VanDerWaalsContact O-CG 3.24Å; Q135-D139 PolarHBondContact O-N 3.44Å; F136-D139 PolarHBondContact O-N 3.5Å; E137-D139 PolarHBondContact O-N 2.58Å; D139-I142 PolarHBondContact O-N 3.13Å; D139-A143 WeakPolarHBondContact O-CB 3.44Å; D139-A143 PolarHBondContact O-N 2.88Å; D139-V231 HydrophobicContact CB-CG1 3.73Å; D139-V231 HydrophobicContact CB-CG2 3.99Å; D139-R234 IonicContact OD2-CZ 2.72Å; D139-R234 IonicContact OD2-NH1 3.93Å; D139-R234 PolarHBondContact OD2-NH1 3.4Å; D139-R234 IonicContact OD2-NH2 3.69Å; D139-R234 PolarHBondContact OD2-NH2 3.09Å
140	F	98.6	Very high	96.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-41.8	173.1	-77.2	-59.8	0	0	0	112.3	F18 Y24 T27 V28 F136 E137 I142 A143 Q144 M228 V231 F232 T235	F18-F140 HydrophobicContact CE2-CE1 4.19Å; F18-F140 HydrophobicContact CE2-CZ 4.42Å; F18-F140 AromaticContact CZ-CE1 3.98Å; F18-F140 HydrophobicContact CZ-CE1 3.98Å; Y24-F140 HydrophobicContact CD1-CB 3.86Å; Y24-F140 HydrophobicContact CD1-CG 4.27Å; Y24-F140 HydrophobicContact CD2-CB 3.35Å; Y24-F140 HydrophobicContact CD2-CD1 4.29Å; Y24-F140 AromaticContact CD2-CD2 3.43Å; Y24-F140 HydrophobicContact CD2-CD2 3.43Å; Y24-F140 VanDerWaalsContact CD2-CD2 3.43Å; Y24-F140 HydrophobicContact CD2-CE2 4.25Å; Y24-F140 AromaticContact CD2-CG 3.46Å; Y24-F140 HydrophobicContact CD2-CG 3.46Å; Y24-F140 VanDerWaalsContact CD2-CG 3.46Å; Y24-F140 HydrophobicContact CE1-CB 3.89Å; Y24-F140 HydrophobicContact CE2-CB 3.45Å; Y24-F140 VanDerWaalsContact CE2-CB 3.45Å; Y24-F140 HydrophobicContact CE2-CD2 4.15Å; Y24-F140 HydrophobicContact CE2-CG 4.08Å; Y24-F140 HydrophobicContact CG-CB 3.62Å; Y24-F140 HydrophobicContact CG-CD1 4Å; Y24-F140 AromaticContact CG-CD2 3.95Å; Y24-F140 HydrophobicContact CG-CD2 3.95Å; Y24-F140 AromaticContact CG-CG 3.62Å; Y24-F140 HydrophobicContact CG-CG 3.62Å; T27-F140 HydrophobicContact CG2-CZ 4.44Å; V28-F140 HydrophobicContact CG2-CD2 3.64Å; V28-F140 HydrophobicContact CG2-CE2 3.84Å; F136-F140 WeakPolarHBondContact O-CD2 3.04Å; F136-F140 PolarHBondContact O-N 2.82Å; E137-F140 PolarHBondContact O-N 3.5Å; F140-I142 VanDerWaalsContact C-N 3.27Å; F140-I142 PolarHBondContact O-N 2.83Å; F140-A143 PolarHBondContact O-N 2.81Å; F140-Q144 WeakPolarHBondContact O-CB 3.46Å; F140-Q144 PolarHBondContact O-N 2.82Å; F140-M228 HydrophobicContact CD1-CE 3.69Å; F140-M228 HydrophobicContact CD1-SD 3.98Å; F140-M228 HydrophobicContact CE1-CE 4.16Å; F140-V231 HydrophobicContact CD1-CB 3.71Å; F140-V231 HydrophobicContact CD1-CG1 3.58Å; F140-V231 HydrophobicContact CD1-CG2 4.37Å; F140-V231 HydrophobicContact CD2-CG1 3.79Å; F140-V231 HydrophobicContact CE1-CB 3.58Å; F140-V231 HydrophobicContact CE1-CG1 3.56Å; F140-V231 HydrophobicContact CE2-CG1 3.77Å; F140-V231 HydrophobicContact CG-CB 4.32Å; F140-V231 HydrophobicContact CG-CG1 3.7Å; F140-V231 HydrophobicContact CZ-CB 4.1Å; F140-V231 HydrophobicContact CZ-CG1 3.66Å; F140-F232 HydrophobicContact CE1-CB 4.37Å; F140-F232 HydrophobicContact CZ-CB 4.41Å; F140-T235 HydrophobicContact CE2-CG2 3.98Å; F140-T235 HydrophobicContact CZ-CG2 4.17Å
141	E	97.8	Very high	97	Very high	92 Å²	92	62.2 Å²	62.2	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-58.2	-40.9	174.4	-79.5	-158.1	139.6	0	0	111.5	R22 Y24 E137 Q138 K145	R22-E141 IonicContact NH2-OE1 2.72Å; Y24-E141 WeakPolarHBondContact OH-CG 3.49Å; E137-E141 WeakPolarHBondContact O-CB 3.39Å; E137-E141 WeakPolarHBondContact O-CG 3.34Å; E137-E141 PolarHBondContact O-N 2.98Å; Q138-E141 PolarHBondContact O-N 2.71Å; E141-K145 WeakPolarHBondContact O-CA 3.17Å; E141-K145 WeakPolarHBondContact O-CB 3.21Å; E141-K145 PolarHBondContact O-N 2.68Å
142	I	97.9	Very high	97.1	Very high	116 Å²	116	63 Å²	63	60%	0.595	29%	0.292	S	S	*	.	H	α-helix	trans	-65.4	-49.6	176.3	-71.3	164.5	0	0	0	110.9	Q138 D139 F140 Q144 K145	Q138-I142 WeakPolarHBondContact O-CB 3.21Å; Q138-I142 WeakPolarHBondContact O-CD1 3.41Å; Q138-I142 WeakPolarHBondContact O-CG1 3.23Å; Q138-I142 PolarHBondContact O-N 2.91Å; D139-I142 PolarHBondContact O-N 3.13Å; F140-I142 VanDerWaalsContact C-N 3.27Å; F140-I142 PolarHBondContact O-N 2.83Å; I142-Q144 VanDerWaalsContact C-N 3.34Å; I142-Q144 PolarHBondContact O-N 3.29Å; I142-K145 WeakPolarHBondContact O-CB 3.47Å; I142-K145 PolarHBondContact O-N 3.44Å
143	A	97.9	Very high	97.1	Very high	17 Å²	17	66.9 Å²	66.9	14%	0.14	31%	0.308	C	S	.	.	H	α-helix	trans	-60.6	-40.7	179.3	0	0	0	0	0	112.4	D139 F140 E227 M228 V231	D139-A143 WeakPolarHBondContact O-CB 3.44Å; D139-A143 PolarHBondContact O-N 2.88Å; F140-A143 PolarHBondContact O-N 2.81Å; A143-E227 HydrophobicContact CB-CB 3.91Å; A143-M228 HydrophobicContact CB-CG 4.35Å; A143-M228 HydrophobicContact CB-SD 3.77Å; A143-V231 HydrophobicContact CB-CG2 4.18Å
144	Q	97.3	Very high	97.1	Very high	9 Å²	9	66.5 Å²	66.5	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-84.8	-11.9	-178.7	-165.5	168.9	83.2	0	0	113.8	E20 C21 F140 I142 Q146 W147 S148 Y224 M228	E20-Q144 PolarHBondContact O-NE2 2.86Å; E20-Q144 VanDerWaalsContact O-NE2 3.1Å; C21-Q144 VanDerWaalsContact CA-OE1 3.26Å; F140-Q144 WeakPolarHBondContact O-CB 3.46Å; F140-Q144 PolarHBondContact O-N 2.82Å; I142-Q144 VanDerWaalsContact C-N 3.34Å; I142-Q144 PolarHBondContact O-N 3.29Å; Q144-Q146 PolarHBondContact O-N 2.99Å; Q144-W147 PolarHBondContact O-N 3.41Å; Q144-S148 WeakPolarHBondContact O-CB 3.26Å; Q144-S148 PolarHBondContact O-N 2.89Å; Q144-Y224 HydrophobicContact CB-CE2 4.09Å; Q144-Y224 HydrophobicContact CG-CE2 3.77Å; Q144-Y224 PolarHBondContact NE2-OH 2.63Å; Q144-M228 HydrophobicContact CB-SD 3.99Å
145	K	96.6	Very high	97.3	Very high	142 Å²	142	67.5 Å²	67.5	62%	0.617	31%	0.312	S	S	*	.	H	α-helix	trans	-52.6	-50.2	-171.3	-168.1	167.8	-175.9	168.3	0	114.7	E141 I142 K149	E141-K145 WeakPolarHBondContact O-CA 3.17Å; E141-K145 WeakPolarHBondContact O-CB 3.21Å; E141-K145 PolarHBondContact O-N 2.68Å; I142-K145 WeakPolarHBondContact O-CB 3.47Å; I142-K145 PolarHBondContact O-N 3.44Å; K145-K149 WeakPolarHBondContact O-CB 3.24Å; K145-K149 PolarHBondContact O-N 2.91Å
146	Q	95.7	Very high	97.3	Very high	78 Å²	78	66.1 Å²	66.1	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-74.9	-40.3	-177.6	-62.3	-61.4	-10.2	0	0	111.7	Q144 K149 R150 E220	Q144-Q146 PolarHBondContact O-N 2.99Å; Q146-K149 PolarHBondContact O-N 2.84Å; Q146-R150 WeakPolarHBondContact O-CG 3.47Å; Q146-R150 PolarHBondContact O-N 3.28Å; Q146-E220 HydrophobicContact CB-CG 4.32Å
147	W	97.3	Very high	97.3	Very high	39 Å²	39	65.2 Å²	65.2	15%	0.148	31%	0.306	C	S	.	.	H	α-helix	trans	-56.5	-52.6	173.6	-179.4	-103.3	0	0	0	111.3	Q144 K149 R150 L151 L217 E220 Y224	Q144-W147 PolarHBondContact O-N 3.41Å; W147-K149 VanDerWaalsContact C-N 3.3Å; W147-K149 PolarHBondContact O-N 3.5Å; W147-R150 PolarHBondContact O-N 2.84Å; W147-L151 VanDerWaalsContact O-CB 3.24Å; W147-L151 WeakPolarHBondContact O-CB 3.15Å; W147-L151 PolarHBondContact O-N 2.81Å; W147-L217 HydrophobicContact CD2-CD1 3.8Å; W147-L217 HydrophobicContact CE3-CD1 3.45Å; W147-L217 VanDerWaalsContact CE3-CD1 3.45Å; W147-L217 HydrophobicContact CE3-CG 4.19Å; W147-L217 HydrophobicContact CH2-CD1 3.85Å; W147-L217 HydrophobicContact CH2-CD2 4.08Å; W147-L217 HydrophobicContact CH2-CG 3.78Å; W147-L217 HydrophobicContact CZ2-CD1 4.16Å; W147-L217 HydrophobicContact CZ2-CD2 4.35Å; W147-L217 HydrophobicContact CZ2-CG 4.38Å; W147-L217 HydrophobicContact CZ3-CD1 3.47Å; W147-L217 VanDerWaalsContact CZ3-CD1 3.47Å; W147-L217 HydrophobicContact CZ3-CD2 4.46Å; W147-L217 HydrophobicContact CZ3-CG 3.67Å; W147-E220 HydrophobicContact CE3-CB 4.5Å; W147-Y224 HydrophobicContact CB-CD1 4.36Å; W147-Y224 HydrophobicContact CB-CD2 3.51Å; W147-Y224 HydrophobicContact CB-CE2 3.93Å; W147-Y224 HydrophobicContact CB-CG 3.75Å; W147-Y224 AromaticContact CD1-CE1 3.66Å; W147-Y224 AromaticContact CD1-CE2 3.76Å; W147-Y224 AromaticContact CD1-CZ 3.52Å; W147-Y224 AromaticContact CD2-CD1 3.45Å; W147-Y224 HydrophobicContact CD2-CD1 3.45Å; W147-Y224 VanDerWaalsContact CD2-CD1 3.45Å; W147-Y224 HydrophobicContact CD2-CD2 4.27Å; W147-Y224 AromaticContact CD2-CE1 3.83Å; W147-Y224 HydrophobicContact CD2-CE1 3.83Å; W147-Y224 AromaticContact CD2-CG 3.68Å; W147-Y224 HydrophobicContact CD2-CG 3.68Å; W147-Y224 AromaticContact CE2-CD1 3.68Å; W147-Y224 AromaticContact CE2-CE1 3.64Å; W147-Y224 AromaticContact CE3-CD1 3.77Å; W147-Y224 HydrophobicContact CE3-CD1 3.77Å; W147-Y224 AromaticContact CE3-CG 3.9Å; W147-Y224 HydrophobicContact CE3-CG 3.9Å; W147-Y224 AromaticContact CG-CD1 3.72Å; W147-Y224 HydrophobicContact CG-CD1 3.72Å; W147-Y224 AromaticContact CG-CD2 3.69Å; W147-Y224 HydrophobicContact CG-CD2 3.69Å; W147-Y224 AromaticContact CG-CE1 3.86Å; W147-Y224 HydrophobicContact CG-CE1 3.86Å; W147-Y224 AromaticContact CG-CE2 3.84Å; W147-Y224 HydrophobicContact CG-CE2 3.84Å; W147-Y224 AromaticContact CG-CG 3.62Å; W147-Y224 HydrophobicContact CG-CG 3.62Å; W147-Y224 AromaticContact CG-CZ 3.91Å; W147-Y224 HydrophobicContact CH2-CD1 4.47Å; W147-Y224 HydrophobicContact CZ2-CD1 4.2Å; W147-Y224 HydrophobicContact CZ2-CE1 4.25Å; W147-Y224 HydrophobicContact CZ3-CD1 4.27Å; W147-Y224 AromaticContact NE1-CD1 3.97Å; W147-Y224 AromaticContact NE1-CE1 3.5Å; W147-Y224 AromaticContact NE1-CZ 3.76Å
148	S	95.8	Very high	97.4	Very high	22 Å²	22	66.7 Å²	66.7	15%	0.154	31%	0.312	C	S	.	.	H	α-helix	trans	-57.6	-40.1	177.2	-171.5	0	0	0	0	112.4	Q144 K152	Q144-S148 WeakPolarHBondContact O-CB 3.26Å; Q144-S148 PolarHBondContact O-N 2.89Å; S148-K152 WeakPolarHBondContact O-CB 3.3Å; S148-K152 WeakPolarHBondContact O-CD 3.32Å; S148-K152 VanDerWaalsContact O-CG 3.23Å; S148-K152 WeakPolarHBondContact O-CG 3.35Å; S148-K152 PolarHBondContact O-N 2.79Å
149	K	96.5	Very high	97.4	Very high	147 Å²	147	69.9 Å²	69.9	64%	0.639	32%	0.324	S	S	*	.	H	α-helix	trans	-64.4	-46	176.5	-174.6	-177.3	176.6	-173.7	0	112.2	K145 Q146 W147 K153	K145-K149 WeakPolarHBondContact O-CB 3.24Å; K145-K149 PolarHBondContact O-N 2.91Å; Q146-K149 PolarHBondContact O-N 2.84Å; W147-K149 VanDerWaalsContact C-N 3.3Å; W147-K149 PolarHBondContact O-N 3.5Å; K149-K153 PolarHBondContact O-N 2.88Å
150	R	96.2	Very high	97.4	Very high	75 Å²	75	72.9 Å²	72.9	28%	0.283	34%	0.338	S	S	.	.	H	α-helix	trans	-68.2	-42.3	177.4	-68.5	-175.8	-171.7	-95.2	13.5	111.7	Q146 W147 K152 K153 V154 D216 L217 E220	Q146-R150 WeakPolarHBondContact O-CG 3.47Å; Q146-R150 PolarHBondContact O-N 3.28Å; W147-R150 PolarHBondContact O-N 2.84Å; R150-K152 PolarHBondContact O-N 3.14Å; R150-K153 WeakPolarHBondContact O-CA 3.5Å; R150-K153 WeakPolarHBondContact O-CB 3.46Å; R150-K153 PolarHBondContact O-N 3.27Å; R150-V154 PolarHBondContact O-N 2.99Å; R150-D216 WeakPolarHBondContact CD-O 3.03Å; R150-D216 PolarHBondContact NH1-O 2.85Å; R150-L217 HydrophobicContact CB-CB 4.43Å; R150-L217 HydrophobicContact CB-CD1 3.65Å; R150-E220 IonicContact CZ-OE2 3.17Å; R150-E220 VanDerWaalsContact CZ-OE2 3.25Å; R150-E220 IonicContact NE-OE2 2.67Å; R150-E220 PolarHBondContact NE-OE2 2.89Å; R150-E220 IonicContact NH2-OE2 2.72Å; R150-E220 PolarHBondContact NH2-OE2 3.24Å
151	L	96.8	Very high	97.4	Very high	36 Å²	36	75.8 Å²	75.8	19%	0.188	35%	0.349	C	S	.	.	H	α-helix	trans	-62.4	-40.5	178.5	-176.1	62.3	0	0	0	111.7	W147 K153 V154 H155 L217	W147-L151 VanDerWaalsContact O-CB 3.24Å; W147-L151 WeakPolarHBondContact O-CB 3.15Å; W147-L151 PolarHBondContact O-N 2.81Å; L151-K153 VanDerWaalsContact C-N 3.3Å; L151-K153 PolarHBondContact O-N 3.39Å; L151-V154 WeakPolarHBondContact O-CB 3.04Å; L151-V154 PolarHBondContact O-N 3.36Å; L151-V154 VanDerWaalsContact O-N 3.16Å; L151-H155 WeakPolarHBondContact CG-NE2 3.42Å; L151-H155 PolarHBondContact O-CD2 2.92Å; L151-H155 PolarHBondContact O-N 3.32Å; L151-L217 HydrophobicContact CB-CD1 4.22Å; L151-L217 HydrophobicContact CD1-CD2 3.9Å
152	K	97	Very high	97.4	Very high	133 Å²	133	77 Å²	77	58%	0.578	35%	0.351	S	S	*	.	H	α-helix	trans	-56.3	-42.8	169.9	-76.8	166.6	-176.8	170.1	0	111.9	S148 R150 H155 T156	S148-K152 WeakPolarHBondContact O-CB 3.3Å; S148-K152 WeakPolarHBondContact O-CD 3.32Å; S148-K152 VanDerWaalsContact O-CG 3.23Å; S148-K152 WeakPolarHBondContact O-CG 3.35Å; S148-K152 PolarHBondContact O-N 2.79Å; R150-K152 PolarHBondContact O-N 3.14Å; K152-H155 PolarHBondContact O-N 3.46Å; K152-T156 PolarHBondContact O-N 3.14Å; K152-T156 PolarHBondContact O-OG1 2.69Å
153	K	97.5	Very high	97.4	Very high	111 Å²	111	76.7 Å²	76.7	48%	0.483	35%	0.347	S	S	.	.	H	α-helix	trans	-64.6	-39.8	176	-176.3	58	176.4	171	0	112.2	K149 R150 L151 T156 T157 A213	K149-K153 PolarHBondContact O-N 2.88Å; R150-K153 WeakPolarHBondContact O-CA 3.5Å; R150-K153 WeakPolarHBondContact O-CB 3.46Å; R150-K153 PolarHBondContact O-N 3.27Å; L151-K153 VanDerWaalsContact C-N 3.3Å; L151-K153 PolarHBondContact O-N 3.39Å; K153-T156 PolarHBondContact O-N 2.67Å; K153-T157 HydrophobicContact CD-CG2 4.13Å; K153-T157 PolarHBondContact O-N 3.04Å; K153-T157 PolarHBondContact O-OG1 2.97Å; K153-A213 HydrophobicContact CG-CB 4.2Å
154	V	97.9	Very high	97.4	Very high	8 Å²	8	76.2 Å²	76.2	5%	0.048	34%	0.342	C	S	.	.	H	α-helix	trans	-60.2	-46.3	173	171.7	0	0	0	0	111.5	R150 L151 T156 T157 K158 Y210 A213 L214 L217	R150-V154 PolarHBondContact O-N 2.99Å; L151-V154 WeakPolarHBondContact O-CB 3.04Å; L151-V154 PolarHBondContact O-N 3.36Å; L151-V154 VanDerWaalsContact O-N 3.16Å; V154-T156 PolarHBondContact O-N 3.12Å; V154-T157 PolarHBondContact O-OG1 2.92Å; V154-K158 VanDerWaalsContact O-CB 3.22Å; V154-K158 WeakPolarHBondContact O-CB 3.43Å; V154-K158 PolarHBondContact O-N 3.41Å; V154-Y210 HydrophobicContact CG1-CE2 3.89Å; V154-A213 VanDerWaalsContact CG2-C 3.5Å; V154-A213 HydrophobicContact CG2-CB 3.88Å; V154-A213 WeakPolarHBondContact CG2-O 3.45Å; V154-L214 HydrophobicContact CG1-CD2 3.6Å; V154-L214 HydrophobicContact CG1-CG 4.26Å; V154-L214 HydrophobicContact CG2-CD2 4.29Å; V154-L217 HydrophobicContact CG2-CB 3.98Å; V154-L217 HydrophobicContact CG2-CD2 3.97Å
155	H	97.4	Very high	97.4	Very high	109 Å²	109	77.4 Å²	77.4	51%	0.505	35%	0.351	S	S	.	.	H	α-helix	trans	-63.6	-40.8	176.3	-68.2	-57.1	0	0	0	112.5	L151 K152 K159	L151-H155 WeakPolarHBondContact CG-NE2 3.42Å; L151-H155 PolarHBondContact O-CD2 2.92Å; L151-H155 PolarHBondContact O-N 3.32Å; K152-H155 PolarHBondContact O-N 3.46Å; H155-K159 WeakPolarHBondContact O-CB 3.44Å; H155-K159 PolarHBondContact O-N 2.9Å
156	T	98.3	Very high	97.5	Very high	68 Å²	68	77.5 Å²	77.5	42%	0.417	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-52.4	176.1	-56.8	0	0	0	0	111.5	K152 K153 V154 K158 K159 E160	K152-T156 PolarHBondContact O-N 3.14Å; K152-T156 PolarHBondContact O-OG1 2.69Å; K153-T156 PolarHBondContact O-N 2.67Å; V154-T156 PolarHBondContact O-N 3.12Å; T156-K158 VanDerWaalsContact C-N 3.35Å; T156-K158 PolarHBondContact O-N 3.22Å; T156-K159 WeakPolarHBondContact O-CB 3.16Å; T156-K159 PolarHBondContact O-N 3Å; T156-K159 VanDerWaalsContact O-N 3.14Å; T156-E160 WeakPolarHBondContact CG2-OE1 3.32Å; T156-E160 WeakPolarHBondContact O-CG 3.41Å; T156-E160 PolarHBondContact O-N 3.39Å
157	T	98.3	Very high	97.6	Very high	0 Å²	0	76.6 Å²	76.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-68.7	-31.9	-178.7	52.7	0	0	0	0	112.6	K153 V154 E160 Y161 A209 A213	K153-T157 HydrophobicContact CD-CG2 4.13Å; K153-T157 PolarHBondContact O-N 3.04Å; K153-T157 PolarHBondContact O-OG1 2.97Å; V154-T157 PolarHBondContact O-OG1 2.92Å; T157-E160 PolarHBondContact O-N 3.17Å; T157-Y161 WeakPolarHBondContact O-CB 3.5Å; T157-Y161 PolarHBondContact O-N 2.64Å; T157-A209 HydrophobicContact CG2-CB 4.35Å; T157-A213 HydrophobicContact CG2-CB 4.38Å; T157-A213 WeakPolarHBondContact OG1-CB 3.48Å
158	K	98.4	Very high	97.6	Very high	76 Å²	76	76.6 Å²	76.6	33%	0.33	35%	0.353	S	S	.	.	H	α-helix	trans	-58.8	-45.5	169.1	-172.6	177.8	178.5	178.9	0	111.7	V154 T156 Y161 Y162 Y210	V154-K158 VanDerWaalsContact O-CB 3.22Å; V154-K158 WeakPolarHBondContact O-CB 3.43Å; V154-K158 PolarHBondContact O-N 3.41Å; T156-K158 VanDerWaalsContact C-N 3.35Å; T156-K158 PolarHBondContact O-N 3.22Å; K158-Y161 PolarHBondContact O-N 2.99Å; K158-Y162 HydrophobicContact CD-CE2 4.49Å; K158-Y162 WeakPolarHBondContact CE-OH 3.48Å; K158-Y162 HydrophobicContact CG-CD2 4.5Å; K158-Y162 HydrophobicContact CG-CE1 4.31Å; K158-Y162 HydrophobicContact CG-CE2 4.16Å; K158-Y162 WeakPolarHBondContact O-CB 3.46Å; K158-Y162 PolarHBondContact O-N 2.87Å; K158-Y210 HydrophobicContact CB-CD2 3.9Å; K158-Y210 HydrophobicContact CB-CE2 3.53Å; K158-Y210 HydrophobicContact CD-CE2 4.38Å; K158-Y210 HydrophobicContact CG-CE2 4.01Å
159	K	98.4	Very high	97.6	Very high	166 Å²	166	84.5 Å²	84.5	72%	0.722	38%	0.38	S	S	*	.	H	α-helix	trans	-65.3	-43.7	178.7	-175.3	179.5	178.7	179.7	0	111.5	H155 T156 Y162 Q163	H155-K159 WeakPolarHBondContact O-CB 3.44Å; H155-K159 PolarHBondContact O-N 2.9Å; T156-K159 WeakPolarHBondContact O-CB 3.16Å; T156-K159 PolarHBondContact O-N 3Å; T156-K159 VanDerWaalsContact O-N 3.14Å; K159-Y162 PolarHBondContact O-N 3.07Å; K159-Q163 WeakPolarHBondContact O-CB 3.46Å; K159-Q163 PolarHBondContact O-N 3.25Å
160	E	98.3	Very high	97.6	Very high	87 Å²	87	80.4 Å²	80.4	41%	0.407	37%	0.37	S	S	.	.	H	α-helix	trans	-59.4	-49.7	174.9	-70.4	166.5	175.5	0	0	111.4	T156 T157 Y162 Q163 A164 T206	T156-E160 WeakPolarHBondContact CG2-OE1 3.32Å; T156-E160 WeakPolarHBondContact O-CG 3.41Å; T156-E160 PolarHBondContact O-N 3.39Å; T157-E160 PolarHBondContact O-N 3.17Å; E160-Y162 PolarHBondContact O-N 2.89Å; E160-Q163 PolarHBondContact O-N 3.01Å; E160-A164 PolarHBondContact O-N 3Å; E160-T206 HydrophobicContact CB-CG2 4.2Å
161	Y	98.5	Very high	97.5	Very high	60 Å²	60	77.7 Å²	77.7	24%	0.235	36%	0.361	C	S	.	.	H	α-helix	trans	-58.9	-47.7	176.8	171.4	-118.5	0	0	0	112.6	T157 K158 Q163 A164 C165 V203 R207 Y210	T157-Y161 WeakPolarHBondContact O-CB 3.5Å; T157-Y161 PolarHBondContact O-N 2.64Å; K158-Y161 PolarHBondContact O-N 2.99Å; Y161-Q163 VanDerWaalsContact C-N 3.28Å; Y161-Q163 PolarHBondContact O-N 3.18Å; Y161-A164 PolarHBondContact O-N 2.78Å; Y161-C165 WeakPolarHBondContact CE2-SG 3.42Å; Y161-C165 PolarHBondContact O-N 3.03Å; Y161-C165 PolarHBondContact O-SG 3.4Å; Y161-V203 HydrophobicContact CE2-CG1 4.14Å; Y161-R207 HydrophobicContact CD2-CB 3.68Å; Y161-R207 HydrophobicContact CD2-CG 4.36Å; Y161-R207 HydrophobicContact CE2-CB 3.56Å; Y161-R207 HydrophobicContact CE2-CG 3.87Å; Y161-Y210 HydrophobicContact CD1-CD1 4.19Å
162	Y	98	Very high	97.4	Very high	119 Å²	119	80 Å²	80	47%	0.467	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-33.6	177.2	-74.2	4.3	0	0	0	112.5	K158 K159 E160 K166	K158-Y162 HydrophobicContact CD-CE2 4.49Å; K158-Y162 WeakPolarHBondContact CE-OH 3.48Å; K158-Y162 HydrophobicContact CG-CD2 4.5Å; K158-Y162 HydrophobicContact CG-CE1 4.31Å; K158-Y162 HydrophobicContact CG-CE2 4.16Å; K158-Y162 WeakPolarHBondContact O-CB 3.46Å; K158-Y162 PolarHBondContact O-N 2.87Å; K159-Y162 PolarHBondContact O-N 3.07Å; E160-Y162 PolarHBondContact O-N 2.89Å; Y162-K166 VanDerWaalsContact O-CG 3.31Å; Y162-K166 WeakPolarHBondContact O-CG 3.3Å; Y162-K166 PolarHBondContact O-N 3.07Å; Y162-K166 VanDerWaalsContact O-N 3.07Å
163	Q	97.8	Very high	97.3	Very high	109 Å²	109	77.3 Å²	77.3	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-72.3	-37.3	175.5	-172	58.1	29.5	0	0	112.2	K159 E160 Y161 K166 T167	K159-Q163 WeakPolarHBondContact O-CB 3.46Å; K159-Q163 PolarHBondContact O-N 3.25Å; E160-Q163 PolarHBondContact O-N 3.01Å; Y161-Q163 VanDerWaalsContact C-N 3.28Å; Y161-Q163 PolarHBondContact O-N 3.18Å; Q163-K166 PolarHBondContact O-N 2.79Å; Q163-T167 WeakPolarHBondContact O-CB 3.33Å; Q163-T167 PolarHBondContact O-N 2.68Å; Q163-T167 PolarHBondContact O-OG1 2.72Å
164	A	97.9	Very high	97	Very high	6 Å²	6	76 Å²	76	5%	0.05	36%	0.361	C	S	.	.	H	α-helix	trans	-61.1	-48.7	172.5	0	0	0	0	0	110.8	E160 Y161 K166 T167 E168 V203 T206	E160-A164 PolarHBondContact O-N 3Å; Y161-A164 PolarHBondContact O-N 2.78Å; A164-K166 PolarHBondContact O-N 2.93Å; A164-T167 WeakPolarHBondContact O-CB 3.38Å; A164-T167 PolarHBondContact O-N 2.95Å; A164-E168 WeakPolarHBondContact O-CB 3.21Å; A164-E168 PolarHBondContact O-N 2.72Å; A164-V203 VanDerWaalsContact C-CG2 3.42Å; A164-V203 HydrophobicContact CB-CB 4.49Å; A164-V203 HydrophobicContact CB-CG2 3.7Å; A164-T206 HydrophobicContact CB-CG2 4.21Å; A164-T206 WeakPolarHBondContact CB-OG1 3.36Å
165	C	97.9	Very high	96.7	Very high	35 Å²	35	76 Å²	76	24%	0.236	36%	0.361	C	S	.	.	H	α-helix	trans	-61.5	-38.6	177.3	-68.1	0	0	0	0	113.1	Y161 T167 R169	Y161-C165 WeakPolarHBondContact CE2-SG 3.42Å; Y161-C165 PolarHBondContact O-N 3.03Å; Y161-C165 PolarHBondContact O-SG 3.4Å; C165-T167 VanDerWaalsContact C-N 3.31Å; C165-T167 PolarHBondContact O-N 3.39Å; C165-R169 WeakPolarHBondContact O-CB 3.32Å; C165-R169 PolarHBondContact O-N 2.99Å
166	K	97.6	Very high	96.5	Very high	143 Å²	143	79.8 Å²	79.8	62%	0.622	37%	0.371	S	S	*	.	H	α-helix	trans	-61.7	-39.9	172.7	-76.2	174.7	-179.4	-174.9	0	111.9	Y162 Q163 A164 S170	Y162-K166 VanDerWaalsContact O-CG 3.31Å; Y162-K166 WeakPolarHBondContact O-CG 3.3Å; Y162-K166 PolarHBondContact O-N 3.07Å; Y162-K166 VanDerWaalsContact O-N 3.07Å; Q163-K166 PolarHBondContact O-N 2.79Å; A164-K166 PolarHBondContact O-N 2.93Å; K166-S170 PolarHBondContact O-N 2.67Å
167	T	97	Very high	96.1	Very high	59 Å²	59	81.2 Å²	81.2	36%	0.362	38%	0.376	S	S	.	.	H	α-helix	trans	-71.1	-46.4	-178.8	-54.5	0	0	0	0	111.5	Q163 A164 C165 R169 S170 L171	Q163-T167 WeakPolarHBondContact O-CB 3.33Å; Q163-T167 PolarHBondContact O-N 2.68Å; Q163-T167 PolarHBondContact O-OG1 2.72Å; A164-T167 WeakPolarHBondContact O-CB 3.38Å; A164-T167 PolarHBondContact O-N 2.95Å; C165-T167 VanDerWaalsContact C-N 3.31Å; C165-T167 PolarHBondContact O-N 3.39Å; T167-R169 PolarHBondContact O-N 2.92Å; T167-S170 PolarHBondContact O-N 3.3Å; T167-L171 HydrophobicContact CG2-CD1 4.1Å; T167-L171 WeakPolarHBondContact O-CG 3.45Å; T167-L171 PolarHBondContact O-N 2.77Å
168	E	97.3	Very high	95.6	Very high	40 Å²	40	82.6 Å²	82.6	19%	0.187	39%	0.387	C	S	.	.	H	α-helix	trans	-53.6	-52.5	171.4	177	-169.3	-131.7	0	0	110.8	A164 S170 L171 Q172 L196 A199 E200 V203	A164-E168 WeakPolarHBondContact O-CB 3.21Å; A164-E168 PolarHBondContact O-N 2.72Å; E168-S170 VanDerWaalsContact C-N 3.31Å; E168-S170 PolarHBondContact O-N 3.5Å; E168-L171 CarbonylContact O-C 3.41Å; E168-L171 PolarHBondContact O-N 2.67Å; E168-L171 VanDerWaalsContact O-N 3.07Å; E168-Q172 HydrophobicContact CG-CG 4.49Å; E168-Q172 WeakPolarHBondContact O-CG 3.34Å; E168-Q172 PolarHBondContact O-N 3.2Å; E168-L196 HydrophobicContact CG-CD1 4.3Å; E168-A199 HydrophobicContact CB-CB 4.23Å; E168-E200 HydrophobicContact CG-CG 4.36Å; E168-V203 HydrophobicContact CB-CG2 3.82Å; E168-V203 HydrophobicContact CG-CG2 4.36Å
169	R	96.8	Very high	95.1	Very high	187 Å²	187	85.6 Å²	85.6	71%	0.706	40%	0.4	S	S	*	.	H	α-helix	trans	-60.1	-38.6	179.7	-162.2	178	-159.1	178	6.8	112.9	C165 T167 V173	C165-R169 WeakPolarHBondContact O-CB 3.32Å; C165-R169 PolarHBondContact O-N 2.99Å; T167-R169 PolarHBondContact O-N 2.92Å; R169-V173 WeakPolarHBondContact O-CG2 3.23Å; R169-V173 PolarHBondContact O-N 3.43Å
170	S	96.1	Very high	94.5	Very high	61 Å²	61	82.2 Å²	82.2	43%	0.427	40%	0.398	S	S	.	.	H	α-helix	trans	-64.2	-42.8	174.2	-175.3	0	0	0	0	111.8	K166 T167 E168 V173 Q174	K166-S170 PolarHBondContact O-N 2.67Å; T167-S170 PolarHBondContact O-N 3.3Å; E168-S170 VanDerWaalsContact C-N 3.31Å; E168-S170 PolarHBondContact O-N 3.5Å; S170-V173 PolarHBondContact O-N 3.35Å; S170-Q174 WeakPolarHBondContact O-CG 3.24Å; S170-Q174 PolarHBondContact O-N 3.49Å; S170-Q174 PolarHBondContact OG-NE2 3.07Å
171	L	95.4	Very high	93.7	Very high	18 Å²	18	81.6 Å²	81.6	9%	0.094	40%	0.397	C	S	.	.	H	α-helix	trans	-70.2	-34.3	178.3	-72.6	164.7	0	0	0	112.6	T167 E168 V173 Q174 V175 K195 L196 A199	T167-L171 HydrophobicContact CG2-CD1 4.1Å; T167-L171 WeakPolarHBondContact O-CG 3.45Å; T167-L171 PolarHBondContact O-N 2.77Å; E168-L171 CarbonylContact O-C 3.41Å; E168-L171 PolarHBondContact O-N 2.67Å; E168-L171 VanDerWaalsContact O-N 3.07Å; L171-V173 VanDerWaalsContact C-N 3.32Å; L171-V173 PolarHBondContact O-N 3.24Å; L171-Q174 PolarHBondContact O-N 3Å; L171-V175 WeakPolarHBondContact O-CG2 3.48Å; L171-V175 PolarHBondContact O-N 3.49Å; L171-K195 HydrophobicContact CD1-CB 4.22Å; L171-K195 HydrophobicContact CD2-CB 3.8Å; L171-K195 HydrophobicContact CD2-CD 4.16Å; L171-L196 HydrophobicContact CB-CB 4.25Å; L171-L196 HydrophobicContact CB-CD1 4.07Å; L171-A199 HydrophobicContact CD1-CB 3.62Å
172	Q	94.9	Very high	92.8	Very high	84 Å²	84	85.2 Å²	85.2	39%	0.393	43%	0.428	S	S	.	.	H	α-helix	trans	-59.2	-42.9	171	-72	171.9	-7	0	0	111.4	E168 V175 R176 L196	E168-Q172 HydrophobicContact CG-CG 4.49Å; E168-Q172 WeakPolarHBondContact O-CG 3.34Å; E168-Q172 PolarHBondContact O-N 3.2Å; Q172-V175 PolarHBondContact O-N 3.38Å; Q172-R176 WeakPolarHBondContact O-CB 3.33Å; Q172-R176 PolarHBondContact O-N 3.3Å; Q172-L196 HydrophobicContact CG-CD1 3.6Å; Q172-L196 HydrophobicContact CG-CD2 4.19Å
173	V	94.3	Very high	92	Very high	77 Å²	77	84.1 Å²	84.1	47%	0.467	44%	0.438	S	S	.	.	H	α-helix	trans	-65.7	-43	174.1	174.4	0	0	0	0	111.2	R169 S170 L171 V175 R176 N177	R169-V173 WeakPolarHBondContact O-CG2 3.23Å; R169-V173 PolarHBondContact O-N 3.43Å; S170-V173 PolarHBondContact O-N 3.35Å; L171-V173 VanDerWaalsContact C-N 3.32Å; L171-V173 PolarHBondContact O-N 3.24Å; V173-V175 PolarHBondContact O-N 3.27Å; V173-R176 PolarHBondContact O-N 3.24Å; V173-N177 WeakPolarHBondContact O-CB 3.38Å; V173-N177 PolarHBondContact O-N 3.17Å; V173-N177 PolarHBondContact O-OD1 3.39Å
174	Q	91.6	Very high	91	Very high	83 Å²	83	80.5 Å²	80.5	39%	0.388	43%	0.429	S	S	.	.	H	α-helix	trans	-61.5	-43.1	176	-70.1	170.6	45.8	0	0	112.4	S170 L171 N177 A178 T192	S170-Q174 WeakPolarHBondContact O-CG 3.24Å; S170-Q174 PolarHBondContact O-N 3.49Å; S170-Q174 PolarHBondContact OG-NE2 3.07Å; L171-Q174 PolarHBondContact O-N 3Å; Q174-N177 PolarHBondContact O-N 3.35Å; Q174-A178 VanDerWaalsContact O-CB 3.27Å; Q174-A178 WeakPolarHBondContact O-CB 3.02Å; Q174-A178 PolarHBondContact O-N 3.18Å; Q174-T192 HydrophobicContact CB-CG2 3.81Å
175	V	91.6	Very high	90.3	Very high	10 Å²	10	83.5 Å²	83.5	6%	0.061	45%	0.447	C	S	.	.	H	α-helix	trans	-64.6	-39.4	174.8	171.9	0	0	0	0	111.2	L171 Q172 V173 K179 T192 Q193 L196	L171-V175 WeakPolarHBondContact O-CG2 3.48Å; L171-V175 PolarHBondContact O-N 3.49Å; Q172-V175 PolarHBondContact O-N 3.38Å; V173-V175 PolarHBondContact O-N 3.27Å; V175-K179 HydrophobicContact CG1-CD 4.34Å; V175-K179 VanDerWaalsContact O-CG 3.3Å; V175-K179 WeakPolarHBondContact O-CG 3.41Å; V175-K179 PolarHBondContact O-N 3.39Å; V175-K179 VanDerWaalsContact O-N 3.1Å; V175-T192 HydrophobicContact CG2-CG2 3.73Å; V175-Q193 HydrophobicContact CG1-CG 4.06Å; V175-Q193 HydrophobicContact CG2-CG 4.22Å; V175-L196 HydrophobicContact CB-CD2 4.28Å; V175-L196 HydrophobicContact CG2-CB 4.07Å; V175-L196 HydrophobicContact CG2-CD2 3.87Å
176	R	91.7	Very high	89.7	Confident	188 Å²	188	86 Å²	86	71%	0.709	47%	0.471	S	S	*	.	H	α-helix	trans	-61.8	-47.8	175.1	-179.1	177	177.5	162.2	-0.6	111.2	Q172 V173 K179 S180	Q172-R176 WeakPolarHBondContact O-CB 3.33Å; Q172-R176 PolarHBondContact O-N 3.3Å; V173-R176 PolarHBondContact O-N 3.24Å; R176-K179 PolarHBondContact O-N 2.87Å; R176-S180 PolarHBondContact O-N 2.64Å; R176-S180 PolarHBondContact O-OG 3.03Å
177	N	90.2	Very high	89.3	Confident	98 Å²	98	86.3 Å²	86.3	52%	0.524	47%	0.474	S	S	.	.	H	α-helix	trans	-65.8	-44.2	-179.4	-65.4	-0.2	0	0	0	111.3	V173 Q174 K179 S180 D181	V173-N177 WeakPolarHBondContact O-CB 3.38Å; V173-N177 PolarHBondContact O-N 3.17Å; V173-N177 PolarHBondContact O-OD1 3.39Å; Q174-N177 PolarHBondContact O-N 3.35Å; N177-K179 PolarHBondContact O-N 2.94Å; N177-S180 CarbonylContact O-C 3.55Å; N177-S180 WeakPolarHBondContact O-CA 3.44Å; N177-S180 PolarHBondContact O-N 3.34Å; N177-D181 PolarHBondContact O-N 3.38Å
178	A	87.8	Confident	88.8	Confident	29 Å²	29	88.5 Å²	88.5	24%	0.24	48%	0.48	C	S	.	.	H	α-helix	trans	-65.8	-20.8	177.1	0	0	0	0	0	114	Q174 S180 L189	Q174-A178 VanDerWaalsContact O-CB 3.27Å; Q174-A178 WeakPolarHBondContact O-CB 3.02Å; Q174-A178 PolarHBondContact O-N 3.18Å; A178-S180 VanDerWaalsContact C-N 3.34Å; A178-L189 HydrophobicContact CB-CD1 4.02Å
179	K	87.6	Confident	88.4	Confident	138 Å²	138	88.8 Å²	88.8	60%	0.6	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-15.8	169.6	-76.4	177.6	178.8	-175.4	0	113.5	V175 R176 N177 L189	V175-K179 HydrophobicContact CG1-CD 4.34Å; V175-K179 VanDerWaalsContact O-CG 3.3Å; V175-K179 WeakPolarHBondContact O-CG 3.41Å; V175-K179 PolarHBondContact O-N 3.39Å; V175-K179 VanDerWaalsContact O-N 3.1Å; R176-K179 PolarHBondContact O-N 2.87Å; N177-K179 PolarHBondContact O-N 2.94Å; K179-L189 HydrophobicContact CG-CD1 3.83Å; K179-L189 HydrophobicContact CG-CD2 4.32Å
180	S	85.6	Confident	88.2	Confident	96 Å²	96	85.9 Å²	85.9	67%	0.671	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-4.9	-178.1	-62.3	0	0	0	0	113.5	R176 N177 A178 P182	R176-S180 PolarHBondContact O-N 2.64Å; R176-S180 PolarHBondContact O-OG 3.03Å; N177-S180 CarbonylContact O-C 3.55Å; N177-S180 WeakPolarHBondContact O-CA 3.44Å; N177-S180 PolarHBondContact O-N 3.34Å; A178-S180 VanDerWaalsContact C-N 3.34Å; S180-P182 WeakPolarHBondContact O-CD 3.19Å
181	D	82.5	Confident	88	Confident	74 Å²	74	89 Å²	89	40%	0.396	48%	0.481	S	S	.	.			trans	-85.7	114.4	178.9	-178.3	-4.6	0	0	0	111	N177 S183 G184	N177-D181 PolarHBondContact O-N 3.38Å; D181-S183 PolarHBondContact O-N 3.29Å; D181-S183 WeakPolarHBondContact OD1-CA 3.26Å; D181-S183 WeakPolarHBondContact OD1-CB 3.4Å; D181-S183 PolarHBondContact OD1-N 2.98Å; D181-S183 PolarHBondContact OD1-OG 2.83Å; D181-S183 PolarHBondContact OD2-OG 2.85Å; D181-G184 PolarHBondContact O-N 3.47Å
182	P	79.6	Confident	87.7	Confident	136 Å²	136	89.1 Å²	89.1	88%	0.883	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.5	178.1	-18.6	32.8	0	0	0	114.3	S180	S180-P182 WeakPolarHBondContact O-CD 3.19Å
183	S	81.9	Confident	87.7	Confident	96 Å²	96	88.9 Å²	88.9	67%	0.671	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-9.1	-179.1	73.5	0	0	0	0	114	D181	D181-S183 PolarHBondContact O-N 3.29Å; D181-S183 WeakPolarHBondContact OD1-CA 3.26Å; D181-S183 WeakPolarHBondContact OD1-CB 3.4Å; D181-S183 PolarHBondContact OD1-N 2.98Å; D181-S183 PolarHBondContact OD1-OG 2.83Å; D181-S183 PolarHBondContact OD2-OG 2.85Å
184	G	75.7	Confident	87.7	Confident	32 Å²	32	90.4 Å²	90.4	33%	0.33	48%	0.484	S	S	.	.			trans	-70.5	133.1	-175.6	0	0	0	0	0	113.4	D181	D181-G184 PolarHBondContact O-N 3.47Å
185	T	83.3	Confident	87.9	Confident	70 Å²	70	91.4 Å²	91.4	43%	0.429	49%	0.487	S	S	.	.			trans	-78	148.7	174	70.7	0	0	0	0	111.5	E187 Q188 L189	T185-E187 PolarHBondContact O-N 3.17Å; T185-E187 VanDerWaalsContact O-N 3.14Å; T185-Q188 WeakPolarHBondContact O-CB 3.42Å; T185-Q188 PolarHBondContact O-N 3.12Å; T185-Q188 VanDerWaalsContact OG1-CG 3.26Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.28Å; T185-Q188 PolarHBondContact OG1-N 3.31Å; T185-Q188 VanDerWaalsContact OG1-N 3.15Å; T185-Q188 PolarHBondContact OG1-OE1 2.82Å; T185-L189 PolarHBondContact O-N 3.31Å
186	A	86	Confident	88.1	Confident	88 Å²	88	91.9 Å²	91.9	73%	0.727	49%	0.489	S	S	*	.	H	α-helix	trans	-56.1	-31.3	174.2	0	0	0	0	0	112.5	K190	A186-K190 WeakPolarHBondContact O-CB 3.49Å; A186-K190 PolarHBondContact O-N 3.1Å
187	E	88.3	Confident	88.3	Confident	148 Å²	148	85.5 Å²	85.5	69%	0.692	48%	0.476	S	S	*	.	H	α-helix	trans	-68.4	-43.2	174.9	-168.1	-176.6	165	0	0	112.5	T185 L189 K190 K191	T185-E187 PolarHBondContact O-N 3.17Å; T185-E187 VanDerWaalsContact O-N 3.14Å; E187-L189 VanDerWaalsContact C-N 3.35Å; E187-L189 PolarHBondContact O-N 3.14Å; E187-K190 PolarHBondContact O-N 2.86Å; E187-K191 VanDerWaalsContact O-CB 3.24Å; E187-K191 WeakPolarHBondContact O-CB 2.85Å; E187-K191 PolarHBondContact O-N 3.19Å
188	Q	86.1	Confident	88.6	Confident	106 Å²	106	88.7 Å²	88.7	50%	0.495	49%	0.486	S	S	.	.	H	α-helix	trans	-62.1	-42.2	174.3	-74.6	163.7	-17.7	0	0	111.6	T185 T192	T185-Q188 WeakPolarHBondContact O-CB 3.42Å; T185-Q188 PolarHBondContact O-N 3.12Å; T185-Q188 VanDerWaalsContact OG1-CG 3.26Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.28Å; T185-Q188 PolarHBondContact OG1-N 3.31Å; T185-Q188 VanDerWaalsContact OG1-N 3.15Å; T185-Q188 PolarHBondContact OG1-OE1 2.82Å; Q188-T192 WeakPolarHBondContact O-CB 3.47Å; Q188-T192 PolarHBondContact O-N 2.99Å; Q188-T192 PolarHBondContact O-OG1 3.03Å
189	L	89.5	Confident	89.1	Confident	46 Å²	46	87.8 Å²	87.8	24%	0.241	48%	0.478	C	S	.	.	H	α-helix	trans	-62.7	-49.1	176.1	178.8	59.2	0	0	0	111.1	A178 K179 T185 E187 K191 T192 Q193	A178-L189 HydrophobicContact CB-CD1 4.02Å; K179-L189 HydrophobicContact CG-CD1 3.83Å; K179-L189 HydrophobicContact CG-CD2 4.32Å; T185-L189 PolarHBondContact O-N 3.31Å; E187-L189 VanDerWaalsContact C-N 3.35Å; E187-L189 PolarHBondContact O-N 3.14Å; L189-K191 PolarHBondContact O-N 3.03Å; L189-T192 PolarHBondContact O-N 3.41Å; L189-T192 VanDerWaalsContact O-N 3.17Å; L189-Q193 HydrophobicContact CD1-CG 4.32Å; L189-Q193 WeakPolarHBondContact O-CG 3.14Å; L189-Q193 PolarHBondContact O-N 3.42Å
190	K	91.8	Very high	89.6	Confident	126 Å²	126	85.3 Å²	85.3	55%	0.548	47%	0.469	S	S	.	.	H	α-helix	trans	-57.1	-49.1	176.6	-173	-170.8	-179.4	-156.9	0	111.7	A186 E187 T192 Q193 E194	A186-K190 WeakPolarHBondContact O-CB 3.49Å; A186-K190 PolarHBondContact O-N 3.1Å; E187-K190 PolarHBondContact O-N 2.86Å; K190-T192 PolarHBondContact O-N 3.29Å; K190-Q193 WeakPolarHBondContact O-CB 3.4Å; K190-Q193 PolarHBondContact O-N 3.23Å; K190-Q193 VanDerWaalsContact O-N 3.13Å; K190-E194 WeakPolarHBondContact CE-OE1 3.5Å; K190-E194 IonicContact NZ-OE1 3.61Å; K190-E194 WeakPolarHBondContact O-CG 3.32Å; K190-E194 PolarHBondContact O-N 3.4Å
191	K	92.2	Very high	90.1	Very high	126 Å²	126	88.8 Å²	88.8	55%	0.548	47%	0.471	S	S	.	.	H	α-helix	trans	-60.1	-32.1	178.1	-172.7	173.6	-172.3	169.8	0	112.8	E187 L189 K195	E187-K191 VanDerWaalsContact O-CB 3.24Å; E187-K191 WeakPolarHBondContact O-CB 2.85Å; E187-K191 PolarHBondContact O-N 3.19Å; L189-K191 PolarHBondContact O-N 3.03Å; K191-K195 WeakPolarHBondContact O-CG 3.25Å; K191-K195 PolarHBondContact O-N 3.49Å
192	T	89.9	Confident	90.8	Very high	20 Å²	20	87.8 Å²	87.8	12%	0.123	47%	0.466	C	S	.	.	H	α-helix	trans	-79.1	-35.7	177.1	-50.3	0	0	0	0	111.5	Q174 V175 Q188 L189 K190 K195 L196	Q174-T192 HydrophobicContact CB-CG2 3.81Å; V175-T192 HydrophobicContact CG2-CG2 3.73Å; Q188-T192 WeakPolarHBondContact O-CB 3.47Å; Q188-T192 PolarHBondContact O-N 2.99Å; Q188-T192 PolarHBondContact O-OG1 3.03Å; L189-T192 PolarHBondContact O-N 3.41Å; L189-T192 VanDerWaalsContact O-N 3.17Å; K190-T192 PolarHBondContact O-N 3.29Å; T192-K195 PolarHBondContact O-N 3.35Å; T192-L196 PolarHBondContact O-N 3.28Å
193	Q	93.7	Very high	91.7	Very high	80 Å²	80	82 Å²	82	37%	0.374	43%	0.428	S	S	.	.	H	α-helix	trans	-65.7	-41.3	171.5	-70.1	172.1	-3.3	0	0	112.3	V175 L189 K190 K195 L196 A197	V175-Q193 HydrophobicContact CG1-CG 4.06Å; V175-Q193 HydrophobicContact CG2-CG 4.22Å; L189-Q193 HydrophobicContact CD1-CG 4.32Å; L189-Q193 WeakPolarHBondContact O-CG 3.14Å; L189-Q193 PolarHBondContact O-N 3.42Å; K190-Q193 WeakPolarHBondContact O-CB 3.4Å; K190-Q193 PolarHBondContact O-N 3.23Å; K190-Q193 VanDerWaalsContact O-N 3.13Å; Q193-K195 VanDerWaalsContact C-N 3.33Å; Q193-K195 PolarHBondContact O-N 3.09Å; Q193-L196 WeakPolarHBondContact O-CB 3.42Å; Q193-L196 PolarHBondContact O-N 2.82Å; Q193-L196 VanDerWaalsContact O-N 3.15Å; Q193-A197 PolarHBondContact O-N 2.85Å
194	E	95	Very high	92.5	Very high	108 Å²	108	82.3 Å²	82.3	51%	0.505	42%	0.419	S	S	.	.	H	α-helix	trans	-61.4	-39.6	174.3	-73.3	171.3	-179.2	0	0	111.9	K190 K198	K190-E194 WeakPolarHBondContact CE-OE1 3.5Å; K190-E194 IonicContact NZ-OE1 3.61Å; K190-E194 WeakPolarHBondContact O-CG 3.32Å; K190-E194 PolarHBondContact O-N 3.4Å; E194-K198 WeakPolarHBondContact O-CB 3.24Å; E194-K198 PolarHBondContact O-N 2.96Å; E194-K198 VanDerWaalsContact O-N 3.1Å
195	K	95.9	Very high	93.5	Very high	105 Å²	105	89 Å²	89	46%	0.457	43%	0.434	S	S	.	.	H	α-helix	trans	-62.7	-43.4	171.6	-74.3	173.9	179.3	-178.8	0	112	L171 K191 T192 Q193 K198 A199	L171-K195 HydrophobicContact CD1-CB 4.22Å; L171-K195 HydrophobicContact CD2-CB 3.8Å; L171-K195 HydrophobicContact CD2-CD 4.16Å; K191-K195 WeakPolarHBondContact O-CG 3.25Å; K191-K195 PolarHBondContact O-N 3.49Å; T192-K195 PolarHBondContact O-N 3.35Å; Q193-K195 VanDerWaalsContact C-N 3.33Å; Q193-K195 PolarHBondContact O-N 3.09Å; K195-K198 PolarHBondContact O-N 3.01Å; K195-A199 PolarHBondContact O-N 3.26Å
196	L	96.2	Very high	94.3	Very high	20 Å²	20	86.1 Å²	86.1	11%	0.105	42%	0.417	C	S	.	.	H	α-helix	trans	-61.6	-50.2	177.8	175	57.4	0	0	0	111.3	E168 L171 Q172 V175 T192 Q193 K198 A199 E200	E168-L196 HydrophobicContact CG-CD1 4.3Å; L171-L196 HydrophobicContact CB-CB 4.25Å; L171-L196 HydrophobicContact CB-CD1 4.07Å; Q172-L196 HydrophobicContact CG-CD1 3.6Å; Q172-L196 HydrophobicContact CG-CD2 4.19Å; V175-L196 HydrophobicContact CB-CD2 4.28Å; V175-L196 HydrophobicContact CG2-CB 4.07Å; V175-L196 HydrophobicContact CG2-CD2 3.87Å; T192-L196 PolarHBondContact O-N 3.28Å; Q193-L196 WeakPolarHBondContact O-CB 3.42Å; Q193-L196 PolarHBondContact O-N 2.82Å; Q193-L196 VanDerWaalsContact O-N 3.15Å; L196-K198 PolarHBondContact O-N 2.91Å; L196-A199 CarbonylContact O-C 3.58Å; L196-A199 WeakPolarHBondContact O-CA 3.39Å; L196-A199 WeakPolarHBondContact O-CB 3.34Å; L196-A199 PolarHBondContact O-N 2.94Å; L196-E200 HydrophobicContact CD1-CG 4.09Å; L196-E200 HydrophobicContact CG-CG 4.4Å; L196-E200 WeakPolarHBondContact O-CG 3.43Å; L196-E200 PolarHBondContact O-N 3.42Å
197	A	96.3	Very high	94.9	Very high	54 Å²	54	85.8 Å²	85.8	45%	0.446	40%	0.396	S	S	.	.	H	α-helix	trans	-58.4	-34.6	177.1	0	0	0	0	0	112.7	Q193 K201	Q193-A197 PolarHBondContact O-N 2.85Å; A197-K201 PolarHBondContact O-N 3.19Å
198	K	96.8	Very high	95.3	Very high	165 Å²	165	80.9 Å²	80.9	72%	0.717	38%	0.375	S	S	*	.	H	α-helix	trans	-66.9	-38.5	172.1	-173.4	177.2	179.8	179.8	0	112.4	E194 K195 L196 D202	E194-K198 WeakPolarHBondContact O-CB 3.24Å; E194-K198 PolarHBondContact O-N 2.96Å; E194-K198 VanDerWaalsContact O-N 3.1Å; K195-K198 PolarHBondContact O-N 3.01Å; L196-K198 PolarHBondContact O-N 2.91Å; K198-D202 PolarHBondContact O-N 2.93Å; K198-D202 VanDerWaalsContact O-N 3.1Å
199	A	97.1	Very high	95.9	Very high	9 Å²	9	77.7 Å²	77.7	7%	0.074	37%	0.367	C	S	.	.	H	α-helix	trans	-71.4	-40.2	177.5	0	0	0	0	0	112.6	E168 L171 K195 L196 K201 D202 V203	E168-A199 HydrophobicContact CB-CB 4.23Å; L171-A199 HydrophobicContact CD1-CB 3.62Å; K195-A199 PolarHBondContact O-N 3.26Å; L196-A199 CarbonylContact O-C 3.58Å; L196-A199 WeakPolarHBondContact O-CA 3.39Å; L196-A199 WeakPolarHBondContact O-CB 3.34Å; L196-A199 PolarHBondContact O-N 2.94Å; A199-K201 VanDerWaalsContact C-N 3.32Å; A199-K201 PolarHBondContact O-N 3.44Å; A199-D202 CarbonylContact O-C 3.47Å; A199-D202 WeakPolarHBondContact O-CA 3.41Å; A199-D202 WeakPolarHBondContact O-CB 3.45Å; A199-D202 PolarHBondContact O-N 3.07Å; A199-V203 WeakPolarHBondContact O-CG2 3.49Å; A199-V203 PolarHBondContact O-N 3.39Å
200	E	97.5	Very high	96.4	Very high	87 Å²	87	77.6 Å²	77.6	41%	0.407	36%	0.363	S	S	.	.	H	α-helix	trans	-57.9	-44.4	173.2	-69.3	169.3	169.9	0	0	111.1	E168 L196 D202 V203 H204	E168-E200 HydrophobicContact CG-CG 4.36Å; L196-E200 HydrophobicContact CD1-CG 4.09Å; L196-E200 HydrophobicContact CG-CG 4.4Å; L196-E200 WeakPolarHBondContact O-CG 3.43Å; L196-E200 PolarHBondContact O-N 3.42Å; E200-D202 VanDerWaalsContact C-N 3.31Å; E200-D202 PolarHBondContact O-N 3.17Å; E200-V203 PolarHBondContact O-N 3.14Å; E200-H204 PolarHBondContact O-N 2.87Å
201	K	97.5	Very high	96.7	Very high	168 Å²	168	77.1 Å²	77.1	73%	0.73	36%	0.361	S	S	*	.	H	α-helix	trans	-63.6	-34.8	173.6	-174.2	173.2	-178.4	174.4	0	112.7	A197 A199 R205	A197-K201 PolarHBondContact O-N 3.19Å; A199-K201 VanDerWaalsContact C-N 3.32Å; A199-K201 PolarHBondContact O-N 3.44Å; K201-R205 WeakPolarHBondContact O-CB 3.48Å; K201-R205 PolarHBondContact O-N 2.86Å
202	D	97.6	Very high	96.9	Very high	53 Å²	53	76.2 Å²	76.2	28%	0.283	36%	0.361	S	S	.	.	H	α-helix	trans	-73.4	-37.9	177.7	-163.7	41.2	0	0	0	112.7	K198 A199 E200 H204 R205 T206	K198-D202 PolarHBondContact O-N 2.93Å; K198-D202 VanDerWaalsContact O-N 3.1Å; A199-D202 CarbonylContact O-C 3.47Å; A199-D202 WeakPolarHBondContact O-CA 3.41Å; A199-D202 WeakPolarHBondContact O-CB 3.45Å; A199-D202 PolarHBondContact O-N 3.07Å; E200-D202 VanDerWaalsContact C-N 3.31Å; E200-D202 PolarHBondContact O-N 3.17Å; D202-H204 VanDerWaalsContact C-N 3.34Å; D202-H204 PolarHBondContact O-N 2.73Å; D202-R205 PolarHBondContact O-N 3.25Å; D202-R205 IonicContact OD1-CZ 3.63Å; D202-R205 IonicContact OD1-NE 2.66Å; D202-R205 PolarHBondContact OD1-NE 3.27Å; D202-R205 IonicContact OD1-NH2 3.21Å; D202-R205 PolarHBondContact OD1-NH2 3.06Å; D202-T206 WeakPolarHBondContact O-CB 3.5Å; D202-T206 WeakPolarHBondContact O-CG2 3.45Å; D202-T206 PolarHBondContact O-N 2.88Å; D202-T206 PolarHBondContact O-OG1 2.94Å
203	V	98.3	Very high	97.3	Very high	15 Å²	15	75.5 Å²	75.5	9%	0.091	36%	0.357	C	S	.	.	H	α-helix	trans	-59.1	-45	170.4	168.5	0	0	0	0	110.7	Y161 A164 E168 A199 E200 T206 R207	Y161-V203 HydrophobicContact CE2-CG1 4.14Å; A164-V203 VanDerWaalsContact C-CG2 3.42Å; A164-V203 HydrophobicContact CB-CB 4.49Å; A164-V203 HydrophobicContact CB-CG2 3.7Å; E168-V203 HydrophobicContact CB-CG2 3.82Å; E168-V203 HydrophobicContact CG-CG2 4.36Å; A199-V203 WeakPolarHBondContact O-CG2 3.49Å; A199-V203 PolarHBondContact O-N 3.39Å; E200-V203 PolarHBondContact O-N 3.14Å; V203-T206 WeakPolarHBondContact CA-OG1 3.44Å; V203-T206 PolarHBondContact O-OG1 3.35Å; V203-R207 WeakPolarHBondContact O-CB 3.35Å; V203-R207 PolarHBondContact O-N 3.04Å
204	H	97.7	Very high	97.5	Very high	103 Å²	103	74.9 Å²	74.9	48%	0.477	36%	0.356	S	S	.	.	H	α-helix	trans	-59.3	-50.3	174.9	-170.5	105.1	0	0	0	111.8	E200 D202 R207 D208	E200-H204 PolarHBondContact O-N 2.87Å; D202-H204 VanDerWaalsContact C-N 3.34Å; D202-H204 PolarHBondContact O-N 2.73Å; H204-R207 PolarHBondContact CE1-NH2 2.92Å; H204-R207 PolarHBondContact ND1-NH2 3.24Å; H204-R207 PolarHBondContact O-N 3.07Å; H204-D208 IonicContact CD2-OD2 2.97Å; H204-D208 PolarHBondContact CD2-OD2 3.43Å; H204-D208 IonicContact CE1-OD2 2.69Å; H204-D208 IonicContact NE2-OD2 3.61Å; H204-D208 PolarHBondContact NE2-OD2 3.42Å; H204-D208 VanDerWaalsContact O-CG 3.3Å; H204-D208 PolarHBondContact O-N 3.42Å; H204-D208 VanDerWaalsContact O-N 3.07Å
205	R	98.3	Very high	97.7	Very high	172 Å²	172	72.5 Å²	72.5	65%	0.649	36%	0.355	S	S	*	.	H	α-helix	trans	-59.1	-49.3	179.7	-179.9	178.3	71.8	138.4	2.4	112.7	K201 D202 D208 A209	K201-R205 WeakPolarHBondContact O-CB 3.48Å; K201-R205 PolarHBondContact O-N 2.86Å; D202-R205 PolarHBondContact O-N 3.25Å; D202-R205 IonicContact OD1-CZ 3.63Å; D202-R205 IonicContact OD1-NE 2.66Å; D202-R205 PolarHBondContact OD1-NE 3.27Å; D202-R205 IonicContact OD1-NH2 3.21Å; D202-R205 PolarHBondContact OD1-NH2 3.06Å; R205-D208 PolarHBondContact O-N 3.4Å; R205-A209 WeakPolarHBondContact O-CB 3.28Å; R205-A209 PolarHBondContact O-N 3.07Å
206	T	98.4	Very high	97.7	Very high	10 Å²	10	71 Å²	71	6%	0.061	35%	0.352	C	S	.	.	H	α-helix	trans	-70.2	-37.6	-178.2	51.5	0	0	0	0	112	E160 A164 D202 V203 D208 A209 Y210	E160-T206 HydrophobicContact CB-CG2 4.2Å; A164-T206 HydrophobicContact CB-CG2 4.21Å; A164-T206 WeakPolarHBondContact CB-OG1 3.36Å; D202-T206 WeakPolarHBondContact O-CB 3.5Å; D202-T206 WeakPolarHBondContact O-CG2 3.45Å; D202-T206 PolarHBondContact O-N 2.88Å; D202-T206 PolarHBondContact O-OG1 2.94Å; V203-T206 WeakPolarHBondContact CA-OG1 3.44Å; V203-T206 PolarHBondContact O-OG1 3.35Å; T206-D208 PolarHBondContact O-N 2.82Å; T206-A209 PolarHBondContact O-N 2.67Å; T206-Y210 WeakPolarHBondContact O-CB 3.28Å; T206-Y210 PolarHBondContact O-N 3.47Å
207	R	98.6	Very high	97.7	Very high	80 Å²	80	70.8 Å²	70.8	30%	0.302	35%	0.351	S	S	.	.	H	α-helix	trans	-58.4	-46.5	172.7	-175.2	-167.8	68.7	-164.7	-5.3	111.7	Y161 V203 H204 Y210 K211	Y161-R207 HydrophobicContact CD2-CB 3.68Å; Y161-R207 HydrophobicContact CD2-CG 4.36Å; Y161-R207 HydrophobicContact CE2-CB 3.56Å; Y161-R207 HydrophobicContact CE2-CG 3.87Å; V203-R207 WeakPolarHBondContact O-CB 3.35Å; V203-R207 PolarHBondContact O-N 3.04Å; H204-R207 PolarHBondContact CE1-NH2 2.92Å; H204-R207 PolarHBondContact ND1-NH2 3.24Å; H204-R207 PolarHBondContact O-N 3.07Å; R207-Y210 PolarHBondContact O-N 2.95Å; R207-K211 WeakPolarHBondContact O-CG 3.5Å; R207-K211 PolarHBondContact O-N 3.43Å
208	D	98.3	Very high	97.7	Very high	46 Å²	46	74 Å²	74	25%	0.246	36%	0.361	C	S	.	.	H	α-helix	trans	-75.3	-33.6	-176.1	-62.5	-13.7	0	0	0	110.8	H204 R205 T206 Y210 K211 I212	H204-D208 IonicContact CD2-OD2 2.97Å; H204-D208 PolarHBondContact CD2-OD2 3.43Å; H204-D208 IonicContact CE1-OD2 2.69Å; H204-D208 IonicContact NE2-OD2 3.61Å; H204-D208 PolarHBondContact NE2-OD2 3.42Å; H204-D208 VanDerWaalsContact O-CG 3.3Å; H204-D208 PolarHBondContact O-N 3.42Å; H204-D208 VanDerWaalsContact O-N 3.07Å; R205-D208 PolarHBondContact O-N 3.4Å; T206-D208 PolarHBondContact O-N 2.82Å; D208-Y210 VanDerWaalsContact C-N 3.34Å; D208-Y210 PolarHBondContact O-N 2.92Å; D208-K211 PolarHBondContact O-N 3.21Å; D208-K211 IonicContact OD1-NZ 3.89Å; D208-I212 VanDerWaalsContact O-CG1 3.27Å; D208-I212 WeakPolarHBondContact O-CG1 3.39Å; D208-I212 PolarHBondContact O-N 3.04Å
209	A	98.3	Very high	97.6	Very high	38 Å²	38	71.1 Å²	71.1	31%	0.314	36%	0.357	S	S	.	.	H	α-helix	trans	-61.1	-37.2	167	0	0	0	0	0	113.3	T157 R205 T206 A213	T157-A209 HydrophobicContact CG2-CB 4.35Å; R205-A209 WeakPolarHBondContact O-CB 3.28Å; R205-A209 PolarHBondContact O-N 3.07Å; T206-A209 PolarHBondContact O-N 2.67Å; A209-A213 WeakPolarHBondContact O-CB 3.47Å; A209-A213 PolarHBondContact O-N 2.76Å
210	Y	98.5	Very high	97.4	Very high	45 Å²	45	71.5 Å²	71.5	18%	0.176	36%	0.357	C	S	.	.	H	α-helix	trans	-68.9	-41.9	174.1	176.3	-129.1	0	0	0	112.3	V154 K158 Y161 T206 R207 D208 A213 L214	V154-Y210 HydrophobicContact CG1-CE2 3.89Å; K158-Y210 HydrophobicContact CB-CD2 3.9Å; K158-Y210 HydrophobicContact CB-CE2 3.53Å; K158-Y210 HydrophobicContact CD-CE2 4.38Å; K158-Y210 HydrophobicContact CG-CE2 4.01Å; Y161-Y210 HydrophobicContact CD1-CD1 4.19Å; T206-Y210 WeakPolarHBondContact O-CB 3.28Å; T206-Y210 PolarHBondContact O-N 3.47Å; R207-Y210 PolarHBondContact O-N 2.95Å; D208-Y210 VanDerWaalsContact C-N 3.34Å; D208-Y210 PolarHBondContact O-N 2.92Å; Y210-A213 PolarHBondContact O-N 2.7Å; Y210-L214 HydrophobicContact CD1-CD1 4.35Å; Y210-L214 HydrophobicContact CD2-CD1 4.32Å; Y210-L214 HydrophobicContact CD2-CG 4.31Å; Y210-L214 HydrophobicContact CE1-CD1 3.89Å; Y210-L214 HydrophobicContact CE2-CD1 3.87Å; Y210-L214 HydrophobicContact CE2-CD2 4.3Å; Y210-L214 HydrophobicContact CE2-CG 3.94Å; Y210-L214 WeakPolarHBondContact O-CG 3.48Å; Y210-L214 PolarHBondContact O-N 3.27Å
211	K	98.4	Very high	97.2	Very high	116 Å²	116	69.2 Å²	69.2	50%	0.504	35%	0.351	S	S	.	.	H	α-helix	trans	-60.5	-44.5	173	-73.4	174.3	178.1	176.2	0	112.5	R207 D208 L214 A215	R207-K211 WeakPolarHBondContact O-CG 3.5Å; R207-K211 PolarHBondContact O-N 3.43Å; D208-K211 PolarHBondContact O-N 3.21Å; D208-K211 IonicContact OD1-NZ 3.89Å; K211-L214 PolarHBondContact O-N 3.01Å; K211-A215 PolarHBondContact O-N 2.99Å
212	I	98.1	Very high	97.2	Very high	106 Å²	106	65.8 Å²	65.8	54%	0.544	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-46.7	176.4	-68.9	163.2	0	0	0	110.1	D208 L214 A215 D216	D208-I212 VanDerWaalsContact O-CG1 3.27Å; D208-I212 WeakPolarHBondContact O-CG1 3.39Å; D208-I212 PolarHBondContact O-N 3.04Å; I212-L214 VanDerWaalsContact C-N 3.3Å; I212-L214 PolarHBondContact O-N 2.97Å; I212-A215 PolarHBondContact O-N 3.27Å; I212-D216 WeakPolarHBondContact O-CB 3.49Å; I212-D216 PolarHBondContact O-N 3Å
213	A	97.9	Very high	97.1	Very high	5 Å²	5	69.6 Å²	69.6	4%	0.041	36%	0.358	C	S	.	.	H	α-helix	trans	-60.4	-37	177.6	0	0	0	0	0	113.1	K153 V154 T157 A209 Y210 L217	K153-A213 HydrophobicContact CG-CB 4.2Å; V154-A213 VanDerWaalsContact CG2-C 3.5Å; V154-A213 HydrophobicContact CG2-CB 3.88Å; V154-A213 WeakPolarHBondContact CG2-O 3.45Å; T157-A213 HydrophobicContact CG2-CB 4.38Å; T157-A213 WeakPolarHBondContact OG1-CB 3.48Å; A209-A213 WeakPolarHBondContact O-CB 3.47Å; A209-A213 PolarHBondContact O-N 2.76Å; Y210-A213 PolarHBondContact O-N 2.7Å; A213-L217 WeakPolarHBondContact O-CB 3.34Å; A213-L217 PolarHBondContact O-N 2.92Å
214	L	98	Very high	97.1	Very high	68 Å²	68	69.3 Å²	69.3	36%	0.356	36%	0.356	S	S	.	.	H	α-helix	trans	-68.7	-42.2	174.4	-76.4	171.6	0	0	0	112.5	V154 Y210 K211 I212 L217 N218	V154-L214 HydrophobicContact CG1-CD2 3.6Å; V154-L214 HydrophobicContact CG1-CG 4.26Å; V154-L214 HydrophobicContact CG2-CD2 4.29Å; Y210-L214 HydrophobicContact CD1-CD1 4.35Å; Y210-L214 HydrophobicContact CD2-CD1 4.32Å; Y210-L214 HydrophobicContact CD2-CG 4.31Å; Y210-L214 HydrophobicContact CE1-CD1 3.89Å; Y210-L214 HydrophobicContact CE2-CD1 3.87Å; Y210-L214 HydrophobicContact CE2-CD2 4.3Å; Y210-L214 HydrophobicContact CE2-CG 3.94Å; Y210-L214 WeakPolarHBondContact O-CG 3.48Å; Y210-L214 PolarHBondContact O-N 3.27Å; K211-L214 PolarHBondContact O-N 3.01Å; I212-L214 VanDerWaalsContact C-N 3.3Å; I212-L214 PolarHBondContact O-N 2.97Å; L214-L217 PolarHBondContact O-N 3.38Å; L214-N218 WeakPolarHBondContact O-CB 3.27Å; L214-N218 PolarHBondContact O-N 3.39Å
215	A	97.4	Very high	97.1	Very high	57 Å²	57	67.3 Å²	67.3	47%	0.471	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-47.3	175.1	0	0	0	0	0	111	K211 I212 L217 N218 T219	K211-A215 PolarHBondContact O-N 2.99Å; I212-A215 PolarHBondContact O-N 3.27Å; A215-L217 VanDerWaalsContact C-N 3.33Å; A215-L217 PolarHBondContact O-N 2.91Å; A215-N218 WeakPolarHBondContact O-CB 3.35Å; A215-N218 PolarHBondContact O-N 3.23Å; A215-N218 VanDerWaalsContact O-N 3.11Å; A215-T219 WeakPolarHBondContact O-CG2 3.47Å; A215-T219 PolarHBondContact O-N 2.71Å
216	D	96	Very high	97.1	Very high	74 Å²	74	63.8 Å²	63.8	40%	0.396	34%	0.341	S	S	.	.	H	α-helix	trans	-55.3	-44.8	174.2	-81.4	-11.2	0	0	0	112	R150 I212 T219	R150-D216 WeakPolarHBondContact CD-O 3.03Å; R150-D216 PolarHBondContact NH1-O 2.85Å; I212-D216 WeakPolarHBondContact O-CB 3.49Å; I212-D216 PolarHBondContact O-N 3Å; D216-T219 PolarHBondContact O-N 3.41Å; D216-T219 PolarHBondContact O-OG1 2.81Å
217	L	96.7	Very high	97.1	Very high	16 Å²	16	66.4 Å²	66.4	8%	0.084	35%	0.353	C	S	.	.	H	α-helix	trans	-63.4	-43.7	176	-177.2	67.7	0	0	0	111.4	W147 R150 L151 V154 A213 L214 A215 T219 E220 S221	W147-L217 HydrophobicContact CD2-CD1 3.8Å; W147-L217 HydrophobicContact CE3-CD1 3.45Å; W147-L217 VanDerWaalsContact CE3-CD1 3.45Å; W147-L217 HydrophobicContact CE3-CG 4.19Å; W147-L217 HydrophobicContact CH2-CD1 3.85Å; W147-L217 HydrophobicContact CH2-CD2 4.08Å; W147-L217 HydrophobicContact CH2-CG 3.78Å; W147-L217 HydrophobicContact CZ2-CD1 4.16Å; W147-L217 HydrophobicContact CZ2-CD2 4.35Å; W147-L217 HydrophobicContact CZ2-CG 4.38Å; W147-L217 HydrophobicContact CZ3-CD1 3.47Å; W147-L217 VanDerWaalsContact CZ3-CD1 3.47Å; W147-L217 HydrophobicContact CZ3-CD2 4.46Å; W147-L217 HydrophobicContact CZ3-CG 3.67Å; R150-L217 HydrophobicContact CB-CB 4.43Å; R150-L217 HydrophobicContact CB-CD1 3.65Å; L151-L217 HydrophobicContact CB-CD1 4.22Å; L151-L217 HydrophobicContact CD1-CD2 3.9Å; V154-L217 HydrophobicContact CG2-CB 3.98Å; V154-L217 HydrophobicContact CG2-CD2 3.97Å; A213-L217 WeakPolarHBondContact O-CB 3.34Å; A213-L217 PolarHBondContact O-N 2.92Å; L214-L217 PolarHBondContact O-N 3.38Å; A215-L217 VanDerWaalsContact C-N 3.33Å; A215-L217 PolarHBondContact O-N 2.91Å; L217-T219 VanDerWaalsContact C-N 3.29Å; L217-T219 PolarHBondContact O-N 3.45Å; L217-E220 PolarHBondContact O-N 2.9Å; L217-S221 PolarHBondContact O-N 3.1Å
218	N	96.2	Very high	97.1	Very high	122 Å²	122	62.6 Å²	62.6	65%	0.652	34%	0.339	S	S	*	.	H	α-helix	trans	-62.4	-34.3	-179.8	-167.2	65.2	0	0	0	112.5	L214 A215 E220 S221	L214-N218 WeakPolarHBondContact O-CB 3.27Å; L214-N218 PolarHBondContact O-N 3.39Å; A215-N218 WeakPolarHBondContact O-CB 3.35Å; A215-N218 PolarHBondContact O-N 3.23Å; A215-N218 VanDerWaalsContact O-N 3.11Å; N218-E220 PolarHBondContact O-N 3.21Å; N218-S221 VanDerWaalsContact O-CB 3.26Å; N218-S221 WeakPolarHBondContact O-CB 3.43Å; N218-S221 PolarHBondContact O-N 3.39Å
219	T	95.1	Very high	97.1	Very high	104 Å²	104	62.7 Å²	62.7	64%	0.638	34%	0.341	S	S	*	.	H	α-helix	trans	-63.7	-25.2	174.5	64.5	0	0	0	0	113.9	A215 D216 L217	A215-T219 WeakPolarHBondContact O-CG2 3.47Å; A215-T219 PolarHBondContact O-N 2.71Å; D216-T219 PolarHBondContact O-N 3.41Å; D216-T219 PolarHBondContact O-OG1 2.81Å; L217-T219 VanDerWaalsContact C-N 3.29Å; L217-T219 PolarHBondContact O-N 3.45Å
220	E	92.4	Very high	97.1	Very high	17 Å²	17	65.4 Å²	65.4	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-88.3	-14.6	177.8	-158.3	78.4	-136.7	0	0	112.4	Q146 W147 R150 L217 N218 S222 R223 Y224	Q146-E220 HydrophobicContact CB-CG 4.32Å; W147-E220 HydrophobicContact CE3-CB 4.5Å; R150-E220 IonicContact CZ-OE2 3.17Å; R150-E220 VanDerWaalsContact CZ-OE2 3.25Å; R150-E220 IonicContact NE-OE2 2.67Å; R150-E220 PolarHBondContact NE-OE2 2.89Å; R150-E220 IonicContact NH2-OE2 2.72Å; R150-E220 PolarHBondContact NH2-OE2 3.24Å; L217-E220 PolarHBondContact O-N 2.9Å; N218-E220 PolarHBondContact O-N 3.21Å; E220-S222 PolarHBondContact O-N 3.33Å; E220-R223 PolarHBondContact O-N 3.22Å; E220-R223 IonicContact OE1-CZ 3.34Å; E220-R223 IonicContact OE1-NE 3.92Å; E220-R223 IonicContact OE1-NH1 3.28Å; E220-R223 PolarHBondContact OE1-NH1 3.42Å; E220-Y224 PolarHBondContact O-N 2.92Å
221	S	94.5	Very high	97.1	Very high	39 Å²	39	63.6 Å²	63.6	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-55.1	-50.1	-169.6	-172.7	0	0	0	0	113.5	L217 N218 R223 Y224 V225	L217-S221 PolarHBondContact O-N 3.1Å; N218-S221 VanDerWaalsContact O-CB 3.26Å; N218-S221 WeakPolarHBondContact O-CB 3.43Å; N218-S221 PolarHBondContact O-N 3.39Å; S221-R223 VanDerWaalsContact C-N 3.33Å; S221-R223 PolarHBondContact O-N 3.06Å; S221-Y224 PolarHBondContact O-N 3.05Å; S221-V225 WeakPolarHBondContact O-CG2 3.47Å; S221-V225 PolarHBondContact O-N 3.48Å
222	S	96.3	Very high	97.2	Very high	96 Å²	96	61 Å²	61	67%	0.671	33%	0.328	S	S	*	.	H	α-helix	trans	-59.3	-43.9	-179.9	-168.8	0	0	0	0	112.2	E220 E226	E220-S222 PolarHBondContact O-N 3.33Å; S222-E226 WeakPolarHBondContact O-CB 3.18Å; S222-E226 PolarHBondContact O-N 3.28Å
223	R	96.6	Very high	97.2	Very high	133 Å²	133	59.7 Å²	59.7	50%	0.502	32%	0.322	S	S	.	.	H	α-helix	trans	-69.9	-40.1	180	178.9	177.5	172.2	-134.7	5.3	111.6	E220 S221 E226 E227	E220-R223 PolarHBondContact O-N 3.22Å; E220-R223 IonicContact OE1-CZ 3.34Å; E220-R223 IonicContact OE1-NE 3.92Å; E220-R223 IonicContact OE1-NH1 3.28Å; E220-R223 PolarHBondContact OE1-NH1 3.42Å; S221-R223 VanDerWaalsContact C-N 3.33Å; S221-R223 PolarHBondContact O-N 3.06Å; R223-E226 PolarHBondContact O-N 3.32Å; R223-E227 HydrophobicContact CG-CG 4.13Å; R223-E227 WeakPolarHBondContact O-CB 3.23Å; R223-E227 VanDerWaalsContact O-CG 3.3Å; R223-E227 WeakPolarHBondContact O-CG 3.36Å; R223-E227 PolarHBondContact O-N 3.07Å
224	Y	97.7	Very high	97.2	Very high	8 Å²	8	64.8 Å²	64.8	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-59.5	-48.8	175.5	170.3	-120.1	0	0	0	111.4	W19 Q144 W147 E220 S221 M228	W19-Y224 HydrophobicContact CE3-CE1 4.07Å; W19-Y224 PolarHBondContact O-OH 3.49Å; Q144-Y224 HydrophobicContact CB-CE2 4.09Å; Q144-Y224 HydrophobicContact CG-CE2 3.77Å; Q144-Y224 PolarHBondContact NE2-OH 2.63Å; W147-Y224 HydrophobicContact CB-CD1 4.36Å; W147-Y224 HydrophobicContact CB-CD2 3.51Å; W147-Y224 HydrophobicContact CB-CE2 3.93Å; W147-Y224 HydrophobicContact CB-CG 3.75Å; W147-Y224 AromaticContact CD1-CE1 3.66Å; W147-Y224 AromaticContact CD1-CE2 3.76Å; W147-Y224 AromaticContact CD1-CZ 3.52Å; W147-Y224 AromaticContact CD2-CD1 3.45Å; W147-Y224 HydrophobicContact CD2-CD1 3.45Å; W147-Y224 VanDerWaalsContact CD2-CD1 3.45Å; W147-Y224 HydrophobicContact CD2-CD2 4.27Å; W147-Y224 AromaticContact CD2-CE1 3.83Å; W147-Y224 HydrophobicContact CD2-CE1 3.83Å; W147-Y224 AromaticContact CD2-CG 3.68Å; W147-Y224 HydrophobicContact CD2-CG 3.68Å; W147-Y224 AromaticContact CE2-CD1 3.68Å; W147-Y224 AromaticContact CE2-CE1 3.64Å; W147-Y224 AromaticContact CE3-CD1 3.77Å; W147-Y224 HydrophobicContact CE3-CD1 3.77Å; W147-Y224 AromaticContact CE3-CG 3.9Å; W147-Y224 HydrophobicContact CE3-CG 3.9Å; W147-Y224 AromaticContact CG-CD1 3.72Å; W147-Y224 HydrophobicContact CG-CD1 3.72Å; W147-Y224 AromaticContact CG-CD2 3.69Å; W147-Y224 HydrophobicContact CG-CD2 3.69Å; W147-Y224 AromaticContact CG-CE1 3.86Å; W147-Y224 HydrophobicContact CG-CE1 3.86Å; W147-Y224 AromaticContact CG-CE2 3.84Å; W147-Y224 HydrophobicContact CG-CE2 3.84Å; W147-Y224 AromaticContact CG-CG 3.62Å; W147-Y224 HydrophobicContact CG-CG 3.62Å; W147-Y224 AromaticContact CG-CZ 3.91Å; W147-Y224 HydrophobicContact CH2-CD1 4.47Å; W147-Y224 HydrophobicContact CZ2-CD1 4.2Å; W147-Y224 HydrophobicContact CZ2-CE1 4.25Å; W147-Y224 HydrophobicContact CZ3-CD1 4.27Å; W147-Y224 AromaticContact NE1-CD1 3.97Å; W147-Y224 AromaticContact NE1-CE1 3.5Å; W147-Y224 AromaticContact NE1-CZ 3.76Å; E220-Y224 PolarHBondContact O-N 2.92Å; S221-Y224 PolarHBondContact O-N 3.05Å; Y224-M228 HydrophobicContact CD2-CG 3.59Å; Y224-M228 HydrophobicContact CD2-SD 4.47Å; Y224-M228 HydrophobicContact CE2-CE 4.46Å; Y224-M228 HydrophobicContact CE2-CG 3.24Å; Y224-M228 HydrophobicContact CE2-SD 3.79Å; Y224-M228 HydrophobicContact CG-CG 4.46Å; Y224-M228 VanDerWaalsContact O-CB 3.32Å; Y224-M228 WeakPolarHBondContact O-CB 3.48Å; Y224-M228 WeakPolarHBondContact O-CG 3.43Å; Y224-M228 PolarHBondContact O-N 3.44Å
225	V	98.1	Very high	97.2	Very high	61 Å²	61	61.7 Å²	61.7	37%	0.37	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-45.9	177.5	172.4	0	0	0	0	111	W19 S221 T229	W19-V225 HydrophobicContact CH2-CG1 4.04Å; W19-V225 HydrophobicContact CZ3-CB 4.43Å; W19-V225 HydrophobicContact CZ3-CG1 4.39Å; W19-V225 HydrophobicContact CZ3-CG2 4.24Å; S221-V225 WeakPolarHBondContact O-CG2 3.47Å; S221-V225 PolarHBondContact O-N 3.48Å; V225-T229 VanDerWaalsContact O-CB 3.23Å; V225-T229 WeakPolarHBondContact O-CB 3.45Å; V225-T229 PolarHBondContact O-N 2.9Å; V225-T229 PolarHBondContact O-OG1 3.46Å
226	E	98.1	Very high	97.3	Very high	98 Å²	98	62 Å²	62	46%	0.458	32%	0.316	S	S	.	.	H	α-helix	trans	-60.1	-52.4	178.8	-173.3	-172.9	162.8	0	0	112.3	S222 R223 T229 K230	S222-E226 WeakPolarHBondContact O-CB 3.18Å; S222-E226 PolarHBondContact O-N 3.28Å; R223-E226 PolarHBondContact O-N 3.32Å; E226-T229 PolarHBondContact O-N 3.35Å; E226-K230 WeakPolarHBondContact O-CG 3.45Å; E226-K230 PolarHBondContact O-N 3.46Å; E226-K230 VanDerWaalsContact OE1-CE 3.26Å; E226-K230 WeakPolarHBondContact OE1-CE 3.36Å; E226-K230 IonicContact OE1-NZ 3.25Å; E226-K230 PolarHBondContact OE1-NZ 2.9Å
227	E	98.3	Very high	97.4	Very high	65 Å²	65	61.5 Å²	61.5	30%	0.304	31%	0.314	S	S	.	.	H	α-helix	trans	-67.3	-43.5	-176.8	-65.6	-63.2	107.5	0	0	111.9	A143 R223 T229 K230 V231	A143-E227 HydrophobicContact CB-CB 3.91Å; R223-E227 HydrophobicContact CG-CG 4.13Å; R223-E227 WeakPolarHBondContact O-CB 3.23Å; R223-E227 VanDerWaalsContact O-CG 3.3Å; R223-E227 WeakPolarHBondContact O-CG 3.36Å; R223-E227 PolarHBondContact O-N 3.07Å; E227-T229 VanDerWaalsContact C-N 3.29Å; E227-T229 PolarHBondContact O-N 3.43Å; E227-K230 WeakPolarHBondContact O-CB 3.44Å; E227-K230 PolarHBondContact O-N 2.98Å; E227-K230 WeakPolarHBondContact OE1-CD 3.41Å; E227-K230 IonicContact OE1-NZ 3.66Å; E227-K230 PolarHBondContact OE1-NZ 3.23Å; E227-V231 WeakPolarHBondContact O-CG2 3.48Å; E227-V231 PolarHBondContact O-N 2.82Å; E227-V231 VanDerWaalsContact O-N 3.12Å
228	M	98.5	Very high	97.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-60.8	-39.4	174.4	-70.7	-65.6	-69.2	0	0	111.9	F18 W19 Y24 F140 A143 Q144 Y224 V231 F232	F18-M228 HydrophobicContact CE1-CB 4.4Å; F18-M228 HydrophobicContact CE1-CE 4.12Å; F18-M228 HydrophobicContact CE2-CE 4.42Å; F18-M228 HydrophobicContact CZ-CE 3.79Å; W19-M228 HydrophobicContact CZ3-CB 3.92Å; Y24-M228 HydrophobicContact CD1-CE 3.95Å; Y24-M228 HydrophobicContact CG-CE 4.32Å; F140-M228 HydrophobicContact CD1-CE 3.69Å; F140-M228 HydrophobicContact CD1-SD 3.98Å; F140-M228 HydrophobicContact CE1-CE 4.16Å; A143-M228 HydrophobicContact CB-CG 4.35Å; A143-M228 HydrophobicContact CB-SD 3.77Å; Q144-M228 HydrophobicContact CB-SD 3.99Å; Y224-M228 HydrophobicContact CD2-CG 3.59Å; Y224-M228 HydrophobicContact CD2-SD 4.47Å; Y224-M228 HydrophobicContact CE2-CE 4.46Å; Y224-M228 HydrophobicContact CE2-CG 3.24Å; Y224-M228 HydrophobicContact CE2-SD 3.79Å; Y224-M228 HydrophobicContact CG-CG 4.46Å; Y224-M228 VanDerWaalsContact O-CB 3.32Å; Y224-M228 WeakPolarHBondContact O-CB 3.48Å; Y224-M228 WeakPolarHBondContact O-CG 3.43Å; Y224-M228 PolarHBondContact O-N 3.44Å; M228-V231 PolarHBondContact O-N 3.11Å; M228-F232 WeakPolarHBondContact O-CB 3.25Å; M228-F232 PolarHBondContact O-N 2.91Å
229	T	98.6	Very high	97.6	Very high	48 Å²	48	57.3 Å²	57.3	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-65.7	-38.8	177.2	-57.7	0	0	0	0	111.4	V225 E226 E227 V231 F232 N233	V225-T229 VanDerWaalsContact O-CB 3.23Å; V225-T229 WeakPolarHBondContact O-CB 3.45Å; V225-T229 PolarHBondContact O-N 2.9Å; V225-T229 PolarHBondContact O-OG1 3.46Å; E226-T229 PolarHBondContact O-N 3.35Å; E227-T229 VanDerWaalsContact C-N 3.29Å; E227-T229 PolarHBondContact O-N 3.43Å; T229-V231 PolarHBondContact O-N 3.05Å; T229-F232 PolarHBondContact O-N 3.14Å; T229-N233 WeakPolarHBondContact O-CB 3.41Å; T229-N233 VanDerWaalsContact O-CG 3.27Å; T229-N233 PolarHBondContact O-N 2.86Å
230	K	98.5	Very high	97.8	Very high	96 Å²	96	58.6 Å²	58.6	42%	0.417	28%	0.282	S	S	.	.	H	α-helix	trans	-62.4	-39.9	174.3	-72.3	169.5	-174.5	163.5	0	112.8	E226 E227 R234	E226-K230 WeakPolarHBondContact O-CG 3.45Å; E226-K230 PolarHBondContact O-N 3.46Å; E226-K230 VanDerWaalsContact OE1-CE 3.26Å; E226-K230 WeakPolarHBondContact OE1-CE 3.36Å; E226-K230 IonicContact OE1-NZ 3.25Å; E226-K230 PolarHBondContact OE1-NZ 2.9Å; E227-K230 WeakPolarHBondContact O-CB 3.44Å; E227-K230 PolarHBondContact O-N 2.98Å; E227-K230 WeakPolarHBondContact OE1-CD 3.41Å; E227-K230 IonicContact OE1-NZ 3.66Å; E227-K230 PolarHBondContact OE1-NZ 3.23Å; K230-R234 PolarHBondContact O-N 3.4Å; K230-R234 PolarHBondContact O-NE 3.27Å
231	V	98.6	Very high	98	Very high	6 Å²	6	62.7 Å²	62.7	4%	0.036	30%	0.301	C	S	.	.	H	α-helix	trans	-69.6	-47.1	174.8	-171.8	0	0	0	0	110.3	D139 F140 A143 E227 M228 T229 N233 R234 T235	D139-V231 HydrophobicContact CB-CG1 3.73Å; D139-V231 HydrophobicContact CB-CG2 3.99Å; F140-V231 HydrophobicContact CD1-CB 3.71Å; F140-V231 HydrophobicContact CD1-CG1 3.58Å; F140-V231 HydrophobicContact CD1-CG2 4.37Å; F140-V231 HydrophobicContact CD2-CG1 3.79Å; F140-V231 HydrophobicContact CE1-CB 3.58Å; F140-V231 HydrophobicContact CE1-CG1 3.56Å; F140-V231 HydrophobicContact CE2-CG1 3.77Å; F140-V231 HydrophobicContact CG-CB 4.32Å; F140-V231 HydrophobicContact CG-CG1 3.7Å; F140-V231 HydrophobicContact CZ-CB 4.1Å; F140-V231 HydrophobicContact CZ-CG1 3.66Å; A143-V231 HydrophobicContact CB-CG2 4.18Å; E227-V231 WeakPolarHBondContact O-CG2 3.48Å; E227-V231 PolarHBondContact O-N 2.82Å; E227-V231 VanDerWaalsContact O-N 3.12Å; M228-V231 PolarHBondContact O-N 3.11Å; T229-V231 PolarHBondContact O-N 3.05Å; V231-N233 PolarHBondContact O-N 3.45Å; V231-R234 PolarHBondContact O-N 3.31Å; V231-T235 PolarHBondContact O-N 3.01Å; V231-T235 VanDerWaalsContact O-N 3.17Å
232	F	98.7	Very high	98.2	Very high	61 Å²	61	61.8 Å²	61.8	27%	0.268	29%	0.292	S	S	.	.	H	α-helix	trans	-57.4	-46	179.1	-178.9	-98.5	0	0	0	112.5	F18 T27 F140 M228 T229 R234 T235 Q236	F18-F232 AromaticContact CE2-CD2 3.96Å; F18-F232 HydrophobicContact CE2-CD2 3.96Å; F18-F232 HydrophobicContact CZ-CB 4.17Å; F18-F232 HydrophobicContact CZ-CD2 4.1Å; F18-F232 HydrophobicContact CZ-CG 4.4Å; T27-F232 HydrophobicContact CG2-CD2 3.97Å; T27-F232 HydrophobicContact CG2-CE2 4.02Å; F140-F232 HydrophobicContact CE1-CB 4.37Å; F140-F232 HydrophobicContact CZ-CB 4.41Å; M228-F232 WeakPolarHBondContact O-CB 3.25Å; M228-F232 PolarHBondContact O-N 2.91Å; T229-F232 PolarHBondContact O-N 3.14Å; F232-R234 VanDerWaalsContact C-N 3.32Å; F232-R234 PolarHBondContact O-N 3.17Å; F232-T235 WeakPolarHBondContact O-CA 3.38Å; F232-T235 PolarHBondContact O-N 3.24Å; F232-T235 PolarHBondContact O-OG1 3.05Å; F232-Q236 HydrophobicContact CD1-CG 3.89Å; F232-Q236 HydrophobicContact CE1-CG 3.44Å; F232-Q236 VanDerWaalsContact CE1-CG 3.44Å; F232-Q236 HydrophobicContact CE2-CG 4.44Å; F232-Q236 HydrophobicContact CZ-CG 3.76Å; F232-Q236 PolarHBondContact O-N 3.18Å
233	N	98.7	Very high	98.3	Very high	80 Å²	80	61.7 Å²	61.7	43%	0.428	28%	0.284	S	S	.	.	H	α-helix	trans	-59.8	-40.8	178.5	-73.1	-11.7	0	0	0	112	T229 V231 T235 Q236 D237	T229-N233 WeakPolarHBondContact O-CB 3.41Å; T229-N233 VanDerWaalsContact O-CG 3.27Å; T229-N233 PolarHBondContact O-N 2.86Å; V231-N233 PolarHBondContact O-N 3.45Å; N233-T235 VanDerWaalsContact C-N 3.31Å; N233-T235 PolarHBondContact O-N 2.75Å; N233-Q236 CarbonylContact O-C 3.55Å; N233-Q236 WeakPolarHBondContact O-CA 3.42Å; N233-Q236 WeakPolarHBondContact O-CB 3.2Å; N233-Q236 PolarHBondContact O-N 2.9Å; N233-D237 PolarHBondContact O-N 2.76Å
234	R	98.5	Very high	98.4	Very high	111 Å²	111	58 Å²	58	42%	0.419	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-36	173.9	-68.7	-177	-67.2	138.2	1	112.9	F136 D139 K230 V231 F232 Q236 D237 F238	F136-R234 HydrophobicContact CE1-CB 4.03Å; D139-R234 IonicContact OD2-CZ 2.72Å; D139-R234 IonicContact OD2-NH1 3.93Å; D139-R234 PolarHBondContact OD2-NH1 3.4Å; D139-R234 IonicContact OD2-NH2 3.69Å; D139-R234 PolarHBondContact OD2-NH2 3.09Å; K230-R234 PolarHBondContact O-N 3.4Å; K230-R234 PolarHBondContact O-NE 3.27Å; V231-R234 PolarHBondContact O-N 3.31Å; F232-R234 VanDerWaalsContact C-N 3.32Å; F232-R234 PolarHBondContact O-N 3.17Å; R234-Q236 VanDerWaalsContact C-N 3.33Å; R234-D237 PolarHBondContact O-N 2.97Å; R234-F238 PolarHBondContact O-N 3.28Å; R234-F238 VanDerWaalsContact O-N 3.09Å
235	T	98.4	Very high	98.5	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-70.8	-27.1	172.5	68.8	0	0	0	0	113.4	T27 R30 F136 F140 V231 F232 N233 E239	T27-T235 HydrophobicContact CG2-CG2 4.18Å; T27-T235 WeakPolarHBondContact CG2-OG1 3.44Å; R30-T235 PolarHBondContact NH2-O 3.21Å; F136-T235 HydrophobicContact CB-CG2 4.21Å; F136-T235 HydrophobicContact CD1-CG2 3.45Å; F136-T235 VanDerWaalsContact CD1-CG2 3.45Å; F136-T235 HydrophobicContact CD2-CG2 4.17Å; F136-T235 HydrophobicContact CE1-CG2 3.7Å; F136-T235 HydrophobicContact CE2-CG2 4.38Å; F136-T235 HydrophobicContact CG-CG2 3.7Å; F136-T235 HydrophobicContact CZ-CG2 4.16Å; F140-T235 HydrophobicContact CE2-CG2 3.98Å; F140-T235 HydrophobicContact CZ-CG2 4.17Å; V231-T235 PolarHBondContact O-N 3.01Å; V231-T235 VanDerWaalsContact O-N 3.17Å; F232-T235 WeakPolarHBondContact O-CA 3.38Å; F232-T235 PolarHBondContact O-N 3.24Å; F232-T235 PolarHBondContact O-OG1 3.05Å; N233-T235 VanDerWaalsContact C-N 3.31Å; N233-T235 PolarHBondContact O-N 2.75Å; T235-E239 WeakPolarHBondContact O-CB 3.48Å; T235-E239 PolarHBondContact O-N 3Å
236	Q	98.7	Very high	98.5	Very high	64 Å²	64	56.1 Å²	56.1	30%	0.299	27%	0.265	S	S	.	.	H	α-helix	trans	-74.5	-36.1	172.9	-70.2	-66.9	110.9	0	0	111.6	R30 F232 N233 R234 E239 R240	R30-Q236 VanDerWaalsContact CZ-OE1 3.28Å; F232-Q236 HydrophobicContact CD1-CG 3.89Å; F232-Q236 HydrophobicContact CE1-CG 3.44Å; F232-Q236 VanDerWaalsContact CE1-CG 3.44Å; F232-Q236 HydrophobicContact CE2-CG 4.44Å; F232-Q236 HydrophobicContact CZ-CG 3.76Å; F232-Q236 PolarHBondContact O-N 3.18Å; N233-Q236 CarbonylContact O-C 3.55Å; N233-Q236 WeakPolarHBondContact O-CA 3.42Å; N233-Q236 WeakPolarHBondContact O-CB 3.2Å; N233-Q236 PolarHBondContact O-N 2.9Å; R234-Q236 VanDerWaalsContact C-N 3.33Å; Q236-E239 PolarHBondContact O-N 3.35Å; Q236-R240 WeakPolarHBondContact O-CB 3.45Å; Q236-R240 PolarHBondContact O-N 3.16Å
237	D	98.4	Very high	98.5	Very high	64 Å²	64	58.4 Å²	58.4	34%	0.342	27%	0.274	S	S	.	.	H	α-helix	trans	-67.2	-46.8	177.2	-61.5	-30.2	0	0	0	110.8	N233 R234 E239 R240 E241	N233-D237 PolarHBondContact O-N 2.76Å; R234-D237 PolarHBondContact O-N 2.97Å; D237-E239 PolarHBondContact O-N 3.13Å; D237-R240 WeakPolarHBondContact O-CB 3.3Å; D237-R240 PolarHBondContact O-N 2.69Å; D237-R240 IonicContact OD1-CZ 2.75Å; D237-R240 IonicContact OD1-NH1 3.86Å; D237-R240 PolarHBondContact OD1-NH1 3.32Å; D237-R240 IonicContact OD1-NH2 3.98Å; D237-R240 PolarHBondContact OD1-NH2 3.16Å; D237-E241 PolarHBondContact O-N 3.05Å; D237-E241 VanDerWaalsContact O-N 3.07Å
238	F	98.1	Very high	98.6	Very high	30 Å²	30	60.8 Å²	60.8	13%	0.132	28%	0.284	C	S	.	.	H	α-helix	trans	-58	-42.1	173.2	-173	-92.9	0	0	0	113.1	V31 F120 E132 F136 R234 R240 R242	V31-F238 HydrophobicContact CG1-CE1 3.96Å; V31-F238 HydrophobicContact CG1-CZ 4.4Å; V31-F238 HydrophobicContact CG2-CD1 4.41Å; V31-F238 HydrophobicContact CG2-CE1 4.38Å; F120-F238 HydrophobicContact CD1-CE1 4.47Å; F120-F238 HydrophobicContact CD1-CZ 4.01Å; F120-F238 AromaticContact CE1-CE1 3.64Å; F120-F238 HydrophobicContact CE1-CE1 3.64Å; F120-F238 AromaticContact CE1-CZ 3.57Å; F120-F238 HydrophobicContact CE1-CZ 3.57Å; F120-F238 HydrophobicContact CZ-CE1 4.11Å; F120-F238 HydrophobicContact CZ-CZ 4.12Å; E132-F238 HydrophobicContact CB-CZ 4.45Å; E132-F238 HydrophobicContact CG-CE2 4.23Å; E132-F238 HydrophobicContact CG-CZ 4.27Å; F136-F238 HydrophobicContact CE2-CB 4.49Å; F136-F238 HydrophobicContact CE2-CG 4.29Å; F136-F238 HydrophobicContact CZ-CB 4.22Å; F136-F238 HydrophobicContact CZ-CG 4.42Å; R234-F238 PolarHBondContact O-N 3.28Å; R234-F238 VanDerWaalsContact O-N 3.09Å; F238-R240 VanDerWaalsContact C-N 3.33Å; F238-R242 PolarHBondContact O-N 3.41Å
239	E	98.4	Very high	98.6	Very high	20 Å²	20	60.8 Å²	60.8	9%	0.093	28%	0.284	C	S	.	.	H	α-helix	trans	-69.4	-30.5	174.8	179.4	59.8	-159.8	0	0	112.4	R30 T235 Q236 D237 R242 L243	R30-E239 IonicContact NE-OE2 2.85Å; T235-E239 WeakPolarHBondContact O-CB 3.48Å; T235-E239 PolarHBondContact O-N 3Å; Q236-E239 PolarHBondContact O-N 3.35Å; D237-E239 PolarHBondContact O-N 3.13Å; E239-R242 PolarHBondContact O-N 2.94Å; E239-R242 IonicContact OE1-CZ 2.78Å; E239-R242 VanDerWaalsContact OE1-CZ 3.24Å; E239-R242 IonicContact OE1-NE 3.72Å; E239-R242 PolarHBondContact OE1-NE 2.78Å; E239-R242 IonicContact OE1-NH2 3.83Å; E239-R242 PolarHBondContact OE1-NH2 3.04Å; E239-R242 IonicContact OE2-NE 2.74Å; E239-R242 PolarHBondContact OE2-NE 2.9Å; E239-L243 HydrophobicContact CG-CD1 3.9Å; E239-L243 HydrophobicContact CG-CG 4.35Å; E239-L243 WeakPolarHBondContact O-CB 3.47Å; E239-L243 WeakPolarHBondContact O-CG 2.96Å; E239-L243 PolarHBondContact O-N 3.12Å
240	R	98.7	Very high	98.6	Very high	131 Å²	131	63.3 Å²	63.3	49%	0.494	29%	0.292	S	S	.	.	H	α-helix	trans	-67.7	-39.8	177.1	-165.8	-174.5	-50.4	101.8	6.4	111.8	Q236 D237 F238 L243 S244	Q236-R240 WeakPolarHBondContact O-CB 3.45Å; Q236-R240 PolarHBondContact O-N 3.16Å; D237-R240 WeakPolarHBondContact O-CB 3.3Å; D237-R240 PolarHBondContact O-N 2.69Å; D237-R240 IonicContact OD1-CZ 2.75Å; D237-R240 IonicContact OD1-NH1 3.86Å; D237-R240 PolarHBondContact OD1-NH1 3.32Å; D237-R240 IonicContact OD1-NH2 3.98Å; D237-R240 PolarHBondContact OD1-NH2 3.16Å; F238-R240 VanDerWaalsContact C-N 3.33Å; R240-L243 PolarHBondContact O-N 3.43Å; R240-S244 WeakPolarHBondContact O-CB 3.24Å; R240-S244 PolarHBondContact O-N 3.27Å; R240-S244 PolarHBondContact O-OG 3.09Å
241	E	98.4	Very high	98.6	Very high	102 Å²	102	63.1 Å²	63.1	48%	0.477	30%	0.295	S	S	.	.	H	α-helix	trans	-57.5	-51.9	172.7	-70.8	169.3	-172.1	0	0	110.1	D237 L243 S244 F245	D237-E241 PolarHBondContact O-N 3.05Å; D237-E241 VanDerWaalsContact O-N 3.07Å; E241-L243 PolarHBondContact O-N 3.41Å; E241-S244 PolarHBondContact O-N 3.48Å; E241-F245 WeakPolarHBondContact O-CB 3.3Å; E241-F245 PolarHBondContact O-N 3.35Å
242	R	98.5	Very high	98.6	Very high	21 Å²	21	64.9 Å²	64.9	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-57.3	-47.2	176.2	-169	-152.9	70.6	73.6	-6.3	113.4	A34 W115 F238 E239 S244 F245 F246	A34-R242 HydrophobicContact CB-CG 4.45Å; W115-R242 HydrophobicContact CH2-CB 3.65Å; W115-R242 HydrophobicContact CH2-CG 3.72Å; W115-R242 HydrophobicContact CZ2-CB 4.29Å; W115-R242 HydrophobicContact CZ3-CB 4.46Å; W115-R242 HydrophobicContact CZ3-CG 4.04Å; F238-R242 PolarHBondContact O-N 3.41Å; E239-R242 PolarHBondContact O-N 2.94Å; E239-R242 IonicContact OE1-CZ 2.78Å; E239-R242 VanDerWaalsContact OE1-CZ 3.24Å; E239-R242 IonicContact OE1-NE 3.72Å; E239-R242 PolarHBondContact OE1-NE 2.78Å; E239-R242 IonicContact OE1-NH2 3.83Å; E239-R242 PolarHBondContact OE1-NH2 3.04Å; E239-R242 IonicContact OE2-NE 2.74Å; E239-R242 PolarHBondContact OE2-NE 2.9Å; R242-S244 VanDerWaalsContact C-N 3.3Å; R242-S244 PolarHBondContact O-N 3.32Å; R242-F245 PolarHBondContact O-N 3.15Å; R242-F246 HydrophobicContact CG-CD1 3.97Å; R242-F246 HydrophobicContact CG-CE1 3.85Å; R242-F246 VanDerWaalsContact NH1-CG 3.28Å; R242-F246 WeakPolarHBondContact O-CB 3.48Å; R242-F246 VanDerWaalsContact O-CD1 3.23Å; R242-F246 WeakPolarHBondContact O-CD1 3.42Å; R242-F246 PolarHBondContact O-N 3.27Å
243	L	98.7	Very high	98.5	Very high	94 Å²	94	63 Å²	63	49%	0.492	30%	0.3	S	S	.	.	H	α-helix	trans	-63.1	-37	179.4	-80.1	166.1	0	0	0	112.3	E239 R240 E241 K247	E239-L243 HydrophobicContact CG-CD1 3.9Å; E239-L243 HydrophobicContact CG-CG 4.35Å; E239-L243 WeakPolarHBondContact O-CB 3.47Å; E239-L243 WeakPolarHBondContact O-CG 2.96Å; E239-L243 PolarHBondContact O-N 3.12Å; R240-L243 PolarHBondContact O-N 3.43Å; E241-L243 PolarHBondContact O-N 3.41Å; L243-K247 PolarHBondContact O-N 2.91Å; L243-K247 VanDerWaalsContact O-N 3.17Å
244	S	98.7	Very high	98.5	Very high	55 Å²	55	65 Å²	65	39%	0.385	31%	0.307	S	S	.	.	H	α-helix	trans	-70.8	-47.5	179.2	-53.1	0	0	0	0	110.3	R240 E241 R242 F246 K247 E248	R240-S244 WeakPolarHBondContact O-CB 3.24Å; R240-S244 PolarHBondContact O-N 3.27Å; R240-S244 PolarHBondContact O-OG 3.09Å; E241-S244 PolarHBondContact O-N 3.48Å; R242-S244 VanDerWaalsContact C-N 3.3Å; R242-S244 PolarHBondContact O-N 3.32Å; S244-F246 PolarHBondContact O-N 3.49Å; S244-K247 WeakPolarHBondContact O-CB 3.19Å; S244-K247 PolarHBondContact O-N 3.49Å; S244-K247 VanDerWaalsContact O-N 3.14Å; S244-E248 PolarHBondContact O-N 3.07Å
245	F	98.7	Very high	98.4	Very high	12 Å²	12	62.7 Å²	62.7	5%	0.053	31%	0.308	C	S	.	.	H	α-helix	trans	-57.5	-46.5	173.9	176.9	-112	0	0	0	112.5	E111 V112 W115 E241 R242 K247 E248 I249	E111-F245 HydrophobicContact CG-CE2 4.02Å; E111-F245 HydrophobicContact CG-CZ 4.21Å; V112-F245 HydrophobicContact CG2-CE1 4.28Å; V112-F245 HydrophobicContact CG2-CZ 4.27Å; W115-F245 HydrophobicContact CB-CD1 4.19Å; W115-F245 HydrophobicContact CB-CD2 4.39Å; W115-F245 HydrophobicContact CB-CE1 3.59Å; W115-F245 HydrophobicContact CB-CE2 3.82Å; W115-F245 HydrophobicContact CB-CZ 3.37Å; W115-F245 AromaticContact CD1-CD1 3.99Å; W115-F245 AromaticContact CD1-CD2 3.57Å; W115-F245 AromaticContact CD1-CE2 3.82Å; W115-F245 AromaticContact CD1-CG 3.67Å; W115-F245 HydrophobicContact CD2-CB 4.33Å; W115-F245 AromaticContact CD2-CD1 3.31Å; W115-F245 HydrophobicContact CD2-CD1 3.31Å; W115-F245 HydrophobicContact CD2-CD2 4.32Å; W115-F245 AromaticContact CD2-CE1 3.6Å; W115-F245 HydrophobicContact CD2-CE1 3.6Å; W115-F245 AromaticContact CD2-CG 3.72Å; W115-F245 HydrophobicContact CD2-CG 3.72Å; W115-F245 HydrophobicContact CD2-CZ 4.21Å; W115-F245 AromaticContact CE2-CD1 3.76Å; W115-F245 AromaticContact CE2-CG 3.75Å; W115-F245 AromaticContact CE3-CD1 3.53Å; W115-F245 HydrophobicContact CE3-CD1 3.53Å; W115-F245 AromaticContact CE3-CE1 3.73Å; W115-F245 HydrophobicContact CE3-CE1 3.73Å; W115-F245 HydrophobicContact CE3-CG 4.36Å; W115-F245 AromaticContact CG-CD1 3.57Å; W115-F245 HydrophobicContact CG-CD1 3.57Å; W115-F245 AromaticContact CG-CD2 3.84Å; W115-F245 HydrophobicContact CG-CD2 3.84Å; W115-F245 AromaticContact CG-CE1 3.51Å; W115-F245 HydrophobicContact CG-CE1 3.51Å; W115-F245 AromaticContact CG-CE2 3.78Å; W115-F245 HydrophobicContact CG-CE2 3.78Å; W115-F245 AromaticContact CG-CG 3.74Å; W115-F245 HydrophobicContact CG-CG 3.74Å; W115-F245 AromaticContact CG-CZ 3.61Å; W115-F245 HydrophobicContact CG-CZ 3.61Å; W115-F245 HydrophobicContact CZ2-CB 4.24Å; W115-F245 HydrophobicContact CZ2-CD1 4.42Å; W115-F245 HydrophobicContact CZ2-CG 4.49Å; W115-F245 HydrophobicContact CZ3-CD1 4.18Å; W115-F245 AromaticContact NE1-CD2 3.94Å; W115-F245 AromaticContact NE1-CG 3.65Å; E241-F245 WeakPolarHBondContact O-CB 3.3Å; E241-F245 PolarHBondContact O-N 3.35Å; R242-F245 PolarHBondContact O-N 3.15Å; F245-K247 VanDerWaalsContact C-N 3.28Å; F245-K247 PolarHBondContact O-N 3.36Å; F245-E248 WeakPolarHBondContact O-CB 3.36Å; F245-E248 PolarHBondContact O-N 3.32Å; F245-E248 VanDerWaalsContact O-N 3.11Å; F245-I249 HydrophobicContact CD1-CG1 4.28Å; F245-I249 HydrophobicContact CD2-CG1 4.2Å; F245-I249 HydrophobicContact CE1-CD1 4.37Å; F245-I249 HydrophobicContact CE1-CG1 3.77Å; F245-I249 HydrophobicContact CE2-CD1 3.78Å; F245-I249 HydrophobicContact CE2-CG1 3.68Å; F245-I249 HydrophobicContact CG-CG1 4.47Å; F245-I249 HydrophobicContact CZ-CD1 3.59Å; F245-I249 HydrophobicContact CZ-CG1 3.44Å; F245-I249 VanDerWaalsContact CZ-CG1 3.44Å; F245-I249 WeakPolarHBondContact O-CG1 3.44Å; F245-I249 PolarHBondContact O-N 2.87Å
246	F	98.7	Very high	98.4	Very high	18 Å²	18	62.6 Å²	62.6	8%	0.079	31%	0.307	C	S	.	.	H	α-helix	trans	-59.7	-39.5	176.9	-90.4	52.2	0	0	0	111.8	L37 L41 R242 S244 E248 I249 F250	L37-F246 HydrophobicContact CB-CE2 4.17Å; L37-F246 HydrophobicContact CB-CZ 4.02Å; L41-F246 HydrophobicContact CD2-CD2 4.08Å; L41-F246 HydrophobicContact CD2-CE1 4.44Å; L41-F246 HydrophobicContact CD2-CE2 3.85Å; L41-F246 HydrophobicContact CD2-CG 4.48Å; L41-F246 HydrophobicContact CD2-CZ 4.04Å; R242-F246 HydrophobicContact CG-CD1 3.97Å; R242-F246 HydrophobicContact CG-CE1 3.85Å; R242-F246 VanDerWaalsContact NH1-CG 3.28Å; R242-F246 WeakPolarHBondContact O-CB 3.48Å; R242-F246 VanDerWaalsContact O-CD1 3.23Å; R242-F246 WeakPolarHBondContact O-CD1 3.42Å; R242-F246 PolarHBondContact O-N 3.27Å; S244-F246 PolarHBondContact O-N 3.49Å; F246-E248 VanDerWaalsContact C-N 3.34Å; F246-I249 PolarHBondContact O-N 2.99Å; F246-F250 HydrophobicContact CB-CD2 4.49Å; F246-F250 HydrophobicContact CB-CE2 4.15Å; F246-F250 HydrophobicContact CD2-CE2 4.13Å; F246-F250 HydrophobicContact CD2-CZ 4.31Å; F246-F250 WeakPolarHBondContact O-CD2 3.3Å; F246-F250 WeakPolarHBondContact O-CG 3.39Å; F246-F250 PolarHBondContact O-N 2.71Å
247	K	98.7	Very high	98.3	Very high	146 Å²	146	61.9 Å²	61.9	64%	0.635	31%	0.305	S	S	*	.	H	α-helix	trans	-63.6	-40	176	-175.9	-175.6	176.5	-173	0	111.9	L243 S244 F245 F250 N251	L243-K247 PolarHBondContact O-N 2.91Å; L243-K247 VanDerWaalsContact O-N 3.17Å; S244-K247 WeakPolarHBondContact O-CB 3.19Å; S244-K247 PolarHBondContact O-N 3.49Å; S244-K247 VanDerWaalsContact O-N 3.14Å; F245-K247 VanDerWaalsContact C-N 3.28Å; F245-K247 PolarHBondContact O-N 3.36Å; K247-F250 PolarHBondContact O-N 3.41Å; K247-N251 PolarHBondContact O-N 3.18Å; K247-N251 VanDerWaalsContact O-N 3.12Å; K247-N251 PolarHBondContact O-ND2 2.95Å; K247-N251 VanDerWaalsContact O-ND2 3.15Å
248	E	98.7	Very high	98.2	Very high	114 Å²	114	62 Å²	62	53%	0.533	31%	0.306	S	S	.	.	H	α-helix	trans	-64.3	-48	175.1	-70.9	167.6	172.3	0	0	110.9	S244 F245 F246 F250 N251 S252	S244-E248 PolarHBondContact O-N 3.07Å; F245-E248 WeakPolarHBondContact O-CB 3.36Å; F245-E248 PolarHBondContact O-N 3.32Å; F245-E248 VanDerWaalsContact O-N 3.11Å; F246-E248 VanDerWaalsContact C-N 3.34Å; E248-F250 VanDerWaalsContact C-N 3.33Å; E248-F250 PolarHBondContact O-N 2.94Å; E248-N251 WeakPolarHBondContact O-CA 3.49Å; E248-N251 WeakPolarHBondContact O-CB 3.5Å; E248-N251 PolarHBondContact O-N 3.35Å; E248-S252 PolarHBondContact O-N 3.3Å; E248-S252 PolarHBondContact O-OG 3.3Å
249	I	98.7	Very high	98	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.1	-41.3	174.6	-66.6	-65.5	0	0	0	112.3	L41 I108 E111 V112 F245 F246 N251 S252 L253	L41-I249 HydrophobicContact CD2-CG2 3.99Å; I108-I249 HydrophobicContact CG2-CD1 4.13Å; I108-I249 HydrophobicContact CG2-CG2 3.87Å; E111-I249 HydrophobicContact CB-CD1 4.16Å; E111-I249 HydrophobicContact CG-CD1 3.98Å; E111-I249 WeakPolarHBondContact OE2-CD1 3.4Å; V112-I249 HydrophobicContact CG2-CD1 3.81Å; V112-I249 HydrophobicContact CG2-CG1 3.92Å; V112-I249 HydrophobicContact CG2-CG2 3.87Å; F245-I249 HydrophobicContact CD1-CG1 4.28Å; F245-I249 HydrophobicContact CD2-CG1 4.2Å; F245-I249 HydrophobicContact CE1-CD1 4.37Å; F245-I249 HydrophobicContact CE1-CG1 3.77Å; F245-I249 HydrophobicContact CE2-CD1 3.78Å; F245-I249 HydrophobicContact CE2-CG1 3.68Å; F245-I249 HydrophobicContact CG-CG1 4.47Å; F245-I249 HydrophobicContact CZ-CD1 3.59Å; F245-I249 HydrophobicContact CZ-CG1 3.44Å; F245-I249 VanDerWaalsContact CZ-CG1 3.44Å; F245-I249 WeakPolarHBondContact O-CG1 3.44Å; F245-I249 PolarHBondContact O-N 2.87Å; F246-I249 PolarHBondContact O-N 2.99Å; I249-N251 VanDerWaalsContact C-N 3.33Å; I249-N251 PolarHBondContact O-N 3Å; I249-S252 PolarHBondContact O-N 3.39Å; I249-L253 HydrophobicContact CG2-CD1 4.03Å; I249-L253 HydrophobicContact CG2-CG 4.36Å; I249-L253 WeakPolarHBondContact O-CB 3.38Å; I249-L253 VanDerWaalsContact O-CG 3.3Å; I249-L253 WeakPolarHBondContact O-CG 3.27Å; I249-L253 PolarHBondContact O-N 2.72Å
250	F	98.7	Very high	97.7	Very high	102 Å²	102	65.1 Å²	65.1	45%	0.447	33%	0.332	S	S	.	.	H	α-helix	trans	-66	-32.7	175.5	-68.9	-52	0	0	0	113	L41 F246 K247 E248 L253 H254	L41-F250 HydrophobicContact CD1-CE1 3.89Å; L41-F250 HydrophobicContact CD1-CZ 4.31Å; F246-F250 HydrophobicContact CB-CD2 4.49Å; F246-F250 HydrophobicContact CB-CE2 4.15Å; F246-F250 HydrophobicContact CD2-CE2 4.13Å; F246-F250 HydrophobicContact CD2-CZ 4.31Å; F246-F250 WeakPolarHBondContact O-CD2 3.3Å; F246-F250 WeakPolarHBondContact O-CG 3.39Å; F246-F250 PolarHBondContact O-N 2.71Å; K247-F250 PolarHBondContact O-N 3.41Å; E248-F250 VanDerWaalsContact C-N 3.33Å; E248-F250 PolarHBondContact O-N 2.94Å; F250-L253 HydrophobicContact CD1-CD1 3.98Å; F250-L253 HydrophobicContact CE1-CD1 4.44Å; F250-H254 WeakPolarHBondContact O-CB 3.48Å; F250-H254 PolarHBondContact O-N 2.91Å
251	N	98.3	Very high	97.3	Very high	91 Å²	91	62.4 Å²	62.4	49%	0.487	34%	0.337	S	S	.	.	H	α-helix	trans	-69.2	-40	171.4	-66.9	-36.8	0	0	0	111.8	K247 E248 I249 H254 S255	K247-N251 PolarHBondContact O-N 3.18Å; K247-N251 VanDerWaalsContact O-N 3.12Å; K247-N251 PolarHBondContact O-ND2 2.95Å; K247-N251 VanDerWaalsContact O-ND2 3.15Å; E248-N251 WeakPolarHBondContact O-CA 3.49Å; E248-N251 WeakPolarHBondContact O-CB 3.5Å; E248-N251 PolarHBondContact O-N 3.35Å; I249-N251 VanDerWaalsContact C-N 3.33Å; I249-N251 PolarHBondContact O-N 3Å; N251-H254 PolarHBondContact O-N 3.22Å; N251-S255 WeakPolarHBondContact O-CB 3.36Å; N251-S255 PolarHBondContact O-N 3.46Å; N251-S255 PolarHBondContact O-OG 2.96Å
252	S	98.3	Very high	96.9	Very high	44 Å²	44	62.4 Å²	62.4	31%	0.308	34%	0.336	S	S	.	.	H	α-helix	trans	-62.2	-42.7	173.5	-62.3	0	0	0	0	111.2	I108 E248 I249 S255 A256	I108-S252 WeakPolarHBondContact CD1-O 3.47Å; E248-S252 PolarHBondContact O-N 3.3Å; E248-S252 PolarHBondContact O-OG 3.3Å; I249-S252 PolarHBondContact O-N 3.39Å; S252-S255 CarbonylContact O-C 3.36Å; S252-S255 PolarHBondContact O-N 2.73Å; S252-A256 WeakPolarHBondContact O-CB 3.49Å; S252-A256 PolarHBondContact O-N 2.96Å
253	L	98.3	Very high	96.6	Very high	21 Å²	21	63.1 Å²	63.1	11%	0.11	34%	0.342	C	S	.	.	H	α-helix	trans	-62.4	-49.4	175	-72.9	169.5	0	0	0	111.9	L41 I45 L104 I108 I249 F250 S255 A256 L257	L41-L253 HydrophobicContact CD1-CD1 4.38Å; I45-L253 HydrophobicContact CD1-CD1 4.21Å; I45-L253 HydrophobicContact CD1-CD2 4.16Å; I45-L253 HydrophobicContact CG1-CD1 4.18Å; I45-L253 HydrophobicContact CG1-CD2 3.89Å; I45-L253 HydrophobicContact CG2-CD2 4.49Å; L104-L253 HydrophobicContact CD2-CD2 3.48Å; L104-L253 VanDerWaalsContact CD2-CD2 3.48Å; I108-L253 HydrophobicContact CD1-CD2 3.97Å; I108-L253 HydrophobicContact CD1-CG 4.34Å; I108-L253 HydrophobicContact CG2-CD2 3.93Å; I108-L253 HydrophobicContact CG2-CG 4.08Å; I249-L253 HydrophobicContact CG2-CD1 4.03Å; I249-L253 HydrophobicContact CG2-CG 4.36Å; I249-L253 WeakPolarHBondContact O-CB 3.38Å; I249-L253 VanDerWaalsContact O-CG 3.3Å; I249-L253 WeakPolarHBondContact O-CG 3.27Å; I249-L253 PolarHBondContact O-N 2.72Å; F250-L253 HydrophobicContact CD1-CD1 3.98Å; F250-L253 HydrophobicContact CE1-CD1 4.44Å; L253-S255 VanDerWaalsContact C-N 3.25Å; L253-S255 PolarHBondContact O-N 3.07Å; L253-A256 WeakPolarHBondContact O-CB 3.4Å; L253-A256 PolarHBondContact O-N 3.38Å; L253-A256 VanDerWaalsContact O-N 3.12Å; L253-L257 WeakPolarHBondContact O-CB 3.49Å; L253-L257 WeakPolarHBondContact O-CG 3.27Å; L253-L257 PolarHBondContact O-N 2.75Å
254	H	97.8	Very high	96.5	Very high	122 Å²	122	63.5 Å²	63.5	57%	0.565	35%	0.345	S	S	*	.	H	α-helix	trans	-53.6	-45.3	173.5	167.4	-91	0	0	0	111.6	F250 N251 L257 N258	F250-H254 WeakPolarHBondContact O-CB 3.48Å; F250-H254 PolarHBondContact O-N 2.91Å; N251-H254 PolarHBondContact O-N 3.22Å; H254-L257 PolarHBondContact O-N 3.1Å; H254-N258 PolarHBondContact O-N 3.2Å; H254-N258 VanDerWaalsContact O-N 3.11Å
255	S	97	Very high	96.3	Very high	62 Å²	62	62.8 Å²	62.8	43%	0.434	33%	0.334	S	S	.	.	H	α-helix	trans	-70.8	-29.2	179.9	-52.3	0	0	0	0	112.8	N251 S252 L253 K262	N251-S255 WeakPolarHBondContact O-CB 3.36Å; N251-S255 PolarHBondContact O-N 3.46Å; N251-S255 PolarHBondContact O-OG 2.96Å; S252-S255 CarbonylContact O-C 3.36Å; S252-S255 PolarHBondContact O-N 2.73Å; L253-S255 VanDerWaalsContact C-N 3.25Å; L253-S255 PolarHBondContact O-N 3.07Å; S255-K262 WeakPolarHBondContact O-CE 3.33Å; S255-K262 PolarHBondContact O-NZ 3.5Å
256	A	97.2	Very high	96.2	Very high	1 Å²	1	68 Å²	68	1%	0.008	36%	0.363	C	S	.	.	H	α-helix	trans	-68.9	-45.4	172.8	0	0	0	0	0	111.8	I103 L104 I108 S252 L253	I103-A256 HydrophobicContact CB-CB 4.45Å; I103-A256 HydrophobicContact CG2-CB 3.7Å; L104-A256 HydrophobicContact CD2-CB 4.13Å; I108-A256 HydrophobicContact CD1-CB 3.71Å; S252-A256 WeakPolarHBondContact O-CB 3.49Å; S252-A256 PolarHBondContact O-N 2.96Å; L253-A256 WeakPolarHBondContact O-CB 3.4Å; L253-A256 PolarHBondContact O-N 3.38Å; L253-A256 VanDerWaalsContact O-N 3.12Å
257	L	97.5	Very high	96.1	Very high	49 Å²	49	70.3 Å²	70.3	26%	0.257	38%	0.381	S	S	.	.	H	α-helix	trans	-81.1	-17.9	-172.4	-63	177.3	0	0	0	114.2	R48 V100 L104 L253 H254 V259	R48-L257 HydrophobicContact CG-CD2 4.15Å; V100-L257 HydrophobicContact CG1-CD2 3.83Å; L104-L257 HydrophobicContact CD1-CD2 3.95Å; L104-L257 HydrophobicContact CD2-CD2 4.02Å; L104-L257 HydrophobicContact CD2-CG 4.47Å; L104-L257 HydrophobicContact CG-CD2 4.4Å; L253-L257 WeakPolarHBondContact O-CB 3.49Å; L253-L257 WeakPolarHBondContact O-CG 3.27Å; L253-L257 PolarHBondContact O-N 2.75Å; H254-L257 PolarHBondContact O-N 3.1Å; L257-V259 VanDerWaalsContact C-N 3.26Å; L257-V259 WeakPolarHBondContact O-CG2 3.21Å; L257-V259 PolarHBondContact O-N 3Å
258	N	96.5	Very high	96	Very high	67 Å²	67	64.2 Å²	64.2	36%	0.358	36%	0.355	S	S	.	.			trans	-77.5	74.7	174	-170.8	-4.8	0	0	0	111.2	H254 C260 A261	H254-N258 PolarHBondContact O-N 3.2Å; H254-N258 VanDerWaalsContact O-N 3.11Å; N258-C260 VanDerWaalsContact C-N 3.29Å; N258-C260 PolarHBondContact O-N 3.19Å; N258-A261 HydrophobicContact CB-CB 4.35Å; N258-A261 PolarHBondContact O-N 2.89Å; N258-A261 PolarHBondContact OD1-N 3.5Å
259	V	93.5	Very high	96	Very high	15 Å²	15	64.1 Å²	64.1	9%	0.091	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-60.4	-39.4	-176.7	-158.8	0	0	0	0	111.7	A96 V100 L257 A261 K262 V263 Y265	A96-V259 HydrophobicContact CB-CG1 3.92Å; V100-V259 HydrophobicContact CG2-CG1 4.22Å; V100-V259 HydrophobicContact CG2-CG2 3.67Å; L257-V259 VanDerWaalsContact C-N 3.26Å; L257-V259 WeakPolarHBondContact O-CG2 3.21Å; L257-V259 PolarHBondContact O-N 3Å; V259-A261 PolarHBondContact O-N 3.18Å; V259-K262 PolarHBondContact O-N 3.43Å; V259-V263 HydrophobicContact CG1-CG2 4.19Å; V259-V263 PolarHBondContact O-N 3.15Å; V259-Y265 HydrophobicContact CB-CE2 4.41Å; V259-Y265 HydrophobicContact CG1-CE2 4.1Å; V259-Y265 WeakPolarHBondContact CG1-OH 3.31Å
260	C	91.2	Very high	95.9	Very high	100 Å²	100	69.2 Å²	69.2	68%	0.676	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-63.2	-21.2	179.8	-50.3	0	0	0	0	113.8	N258 K262	N258-C260 VanDerWaalsContact C-N 3.29Å; N258-C260 PolarHBondContact O-N 3.19Å; C260-K262 VanDerWaalsContact C-N 3.35Å
261	A	92	Very high	95.9	Very high	74 Å²	74	68 Å²	68	61%	0.612	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-85.9	-5.9	174	0	0	0	0	0	113.7	N258 V259	N258-A261 HydrophobicContact CB-CB 4.35Å; N258-A261 PolarHBondContact O-N 2.89Å; N258-A261 PolarHBondContact OD1-N 3.5Å; V259-A261 PolarHBondContact O-N 3.18Å
262	K	89.7	Confident	95.9	Very high	102 Å²	102	64.9 Å²	64.9	44%	0.443	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-21.7	-175.6	-70.3	-178.3	170.8	175.1	0	114.2	S255 V259 C260	S255-K262 WeakPolarHBondContact O-CE 3.33Å; S255-K262 PolarHBondContact O-NZ 3.5Å; V259-K262 PolarHBondContact O-N 3.43Å; C260-K262 VanDerWaalsContact C-N 3.35Å
263	V	92.6	Very high	95.9	Very high	36 Å²	36	65.3 Å²	65.3	22%	0.218	36%	0.363	C	S	.	.	S	Bend	trans	-125.5	128.6	-175.5	178.1	0	0	0	0	108.5	A96 V259 Y265 I268	A96-V263 HydrophobicContact CB-CB 4.43Å; A96-V263 HydrophobicContact CB-CG1 4.24Å; A96-V263 HydrophobicContact CB-CG2 3.78Å; V259-V263 HydrophobicContact CG1-CG2 4.19Å; V259-V263 PolarHBondContact O-N 3.15Å; V263-Y265 VanDerWaalsContact C-N 3.34Å; V263-Y265 HydrophobicContact CB-CD2 4.16Å; V263-Y265 HydrophobicContact CB-CE2 3.91Å; V263-Y265 HydrophobicContact CG1-CD2 4.16Å; V263-Y265 HydrophobicContact CG1-CE2 4.08Å; V263-Y265 WeakPolarHBondContact O-CD2 3.38Å; V263-Y265 PolarHBondContact O-N 2.88Å; V263-I268 HydrophobicContact CG1-CD1 3.7Å
264	D	94.6	Very high	95.9	Very high	103 Å²	103	69.8 Å²	69.8	55%	0.551	38%	0.384	S	S	*	.			trans	-77	86.3	174.9	-171.5	-15.5	0	0	0	109.5	D266 S267 I268	D264-D266 VanDerWaalsContact C-N 3.26Å; D264-D266 PolarHBondContact O-N 3.12Å; D264-D266 WeakPolarHBondContact OD1-CB 3.43Å; D264-D266 PolarHBondContact OD1-N 3.16Å; D264-S267 PolarHBondContact O-N 3.1Å; D264-S267 PolarHBondContact OD1-N 3.31Å; D264-I268 PolarHBondContact O-N 3.09Å
265	Y	95.4	Very high	95.9	Very high	40 Å²	40	64.6 Å²	64.6	16%	0.157	36%	0.361	C	S	.	.	H	α-helix	trans	-66.2	-28.7	175.4	-80.1	-90.5	0	0	0	112.2	V93 V259 V263 S267 I268 Y269	V93-Y265 HydrophobicContact CG2-CE1 3.98Å; V259-Y265 HydrophobicContact CB-CE2 4.41Å; V259-Y265 HydrophobicContact CG1-CE2 4.1Å; V259-Y265 WeakPolarHBondContact CG1-OH 3.31Å; V263-Y265 VanDerWaalsContact C-N 3.34Å; V263-Y265 HydrophobicContact CB-CD2 4.16Å; V263-Y265 HydrophobicContact CB-CE2 3.91Å; V263-Y265 HydrophobicContact CG1-CD2 4.16Å; V263-Y265 HydrophobicContact CG1-CE2 4.08Å; V263-Y265 WeakPolarHBondContact O-CD2 3.38Å; V263-Y265 PolarHBondContact O-N 2.88Å; Y265-S267 VanDerWaalsContact C-N 3.34Å; Y265-I268 HydrophobicContact CD1-CD1 4.43Å; Y265-I268 PolarHBondContact O-N 3.14Å; Y265-Y269 AromaticContact CD1-CE2 3.84Å; Y265-Y269 HydrophobicContact CD1-CE2 3.84Å; Y265-Y269 HydrophobicContact CG-CE2 4.43Å; Y265-Y269 WeakPolarHBondContact O-CD2 3.21Å; Y265-Y269 PolarHBondContact O-N 3.39Å
266	D	96.4	Very high	95.9	Very high	121 Å²	121	65.9 Å²	65.9	65%	0.647	36%	0.362	S	S	*	.	H	α-helix	trans	-63.7	-43.6	176.1	-67.4	-21.7	0	0	0	109.6	D264 I268 Y269 N270	D264-D266 VanDerWaalsContact C-N 3.26Å; D264-D266 PolarHBondContact O-N 3.12Å; D264-D266 WeakPolarHBondContact OD1-CB 3.43Å; D264-D266 PolarHBondContact OD1-N 3.16Å; D266-I268 VanDerWaalsContact C-N 3.33Å; D266-I268 PolarHBondContact O-N 2.94Å; D266-Y269 PolarHBondContact O-N 3.25Å; D266-N270 VanDerWaalsContact O-CB 3.23Å; D266-N270 WeakPolarHBondContact O-CB 3.46Å; D266-N270 PolarHBondContact O-N 3.13Å; D266-N270 PolarHBondContact O-ND2 3.4Å
267	S	96.7	Very high	95.9	Very high	66 Å²	66	70.1 Å²	70.1	46%	0.462	39%	0.392	S	S	.	.	H	α-helix	trans	-59.2	-40.7	172.6	-173.7	0	0	0	0	112.8	D264 Y265 E271	D264-S267 PolarHBondContact O-N 3.1Å; D264-S267 PolarHBondContact OD1-N 3.31Å; Y265-S267 VanDerWaalsContact C-N 3.34Å; S267-E271 WeakPolarHBondContact O-CB 3.18Å; S267-E271 PolarHBondContact O-N 2.87Å
268	I	97.4	Very high	95.9	Very high	18 Å²	18	72.8 Å²	72.8	9%	0.092	40%	0.403	C	S	.	.	H	α-helix	trans	-64.3	-47.8	178.8	-65.5	170.4	0	0	0	110.6	E89 A92 V263 D264 Y265 D266 E271 L272	E89-I268 HydrophobicContact CB-CG2 4.26Å; E89-I268 HydrophobicContact CG-CG2 3.76Å; A92-I268 HydrophobicContact CB-CD1 3.77Å; A92-I268 HydrophobicContact CB-CG1 3.95Å; A92-I268 HydrophobicContact CB-CG2 4.11Å; V263-I268 HydrophobicContact CG1-CD1 3.7Å; D264-I268 PolarHBondContact O-N 3.09Å; Y265-I268 HydrophobicContact CD1-CD1 4.43Å; Y265-I268 PolarHBondContact O-N 3.14Å; D266-I268 VanDerWaalsContact C-N 3.33Å; D266-I268 PolarHBondContact O-N 2.94Å; I268-E271 PolarHBondContact O-N 3.36Å; I268-L272 PolarHBondContact O-N 2.88Å; I268-L272 VanDerWaalsContact O-N 3.07Å
269	Y	97.7	Very high	95.9	Very high	112 Å²	112	71.8 Å²	71.8	44%	0.439	40%	0.4	S	S	.	.	H	α-helix	trans	-74.8	-28.4	-178.2	-65.6	-55.2	0	0	0	113.1	E89 Y265 D266 L272 A273	E89-Y269 HydrophobicContact CG-CD1 4.21Å; E89-Y269 HydrophobicContact CG-CE1 3.83Å; E89-Y269 WeakPolarHBondContact OE1-CE1 3.22Å; E89-Y269 PolarHBondContact OE1-OH 2.98Å; Y265-Y269 AromaticContact CD1-CE2 3.84Å; Y265-Y269 HydrophobicContact CD1-CE2 3.84Å; Y265-Y269 HydrophobicContact CG-CE2 4.43Å; Y265-Y269 WeakPolarHBondContact O-CD2 3.21Å; Y265-Y269 PolarHBondContact O-N 3.39Å; D266-Y269 PolarHBondContact O-N 3.25Å; Y269-L272 HydrophobicContact CD1-CD2 4.41Å; Y269-A273 PolarHBondContact O-N 3.33Å
270	N	98	Very high	96	Very high	107 Å²	107	75.1 Å²	75.1	57%	0.572	42%	0.418	S	S	*	.	H	α-helix	trans	-66	-41.6	169.8	-74.1	-37.3	0	0	0	111.6	D266 L272 A273 E274	D266-N270 VanDerWaalsContact O-CB 3.23Å; D266-N270 WeakPolarHBondContact O-CB 3.46Å; D266-N270 PolarHBondContact O-N 3.13Å; D266-N270 PolarHBondContact O-ND2 3.4Å; N270-L272 VanDerWaalsContact C-N 3.34Å; N270-A273 WeakPolarHBondContact O-CB 3.41Å; N270-A273 PolarHBondContact O-N 3.5Å; N270-E274 PolarHBondContact O-N 2.71Å
271	E	97.8	Very high	96.3	Very high	77 Å²	77	74.8 Å²	74.8	36%	0.36	41%	0.412	S	S	.	.	H	α-helix	trans	-68	-33.3	176.8	-172.5	171.5	-133.7	0	0	112.4	K88 S267 I268 S275	K88-E271 WeakPolarHBondContact CE-OE1 3.25Å; K88-E271 WeakPolarHBondContact CE-OE2 3.46Å; K88-E271 IonicContact NZ-OE1 2.79Å; K88-E271 PolarHBondContact NZ-OE1 3.29Å; K88-E271 IonicContact NZ-OE2 3.44Å; K88-E271 PolarHBondContact NZ-OE2 3.18Å; S267-E271 WeakPolarHBondContact O-CB 3.18Å; S267-E271 PolarHBondContact O-N 2.87Å; I268-E271 PolarHBondContact O-N 3.36Å; E271-S275 WeakPolarHBondContact O-CB 3.36Å; E271-S275 PolarHBondContact O-N 3.06Å; E271-S275 PolarHBondContact O-OG 3.05Å
272	L	98.3	Very high	96.6	Very high	25 Å²	25	77.1 Å²	77.1	13%	0.131	41%	0.411	C	S	.	.	H	α-helix	trans	-62.8	-45.7	167.9	173.9	60.9	0	0	0	111.4	G85 L86 E89 I268 Y269 N270 E274 S275 I276	G85-L272 VanDerWaalsContact C-CD1 3.43Å; L86-L272 HydrophobicContact CD2-CD1 3.9Å; L86-L272 HydrophobicContact CD2-CD2 4.16Å; L86-L272 HydrophobicContact CG-CD1 4.05Å; E89-L272 HydrophobicContact CB-CD2 4.41Å; E89-L272 HydrophobicContact CG-CD2 4.3Å; I268-L272 PolarHBondContact O-N 2.88Å; I268-L272 VanDerWaalsContact O-N 3.07Å; Y269-L272 HydrophobicContact CD1-CD2 4.41Å; N270-L272 VanDerWaalsContact C-N 3.34Å; L272-E274 VanDerWaalsContact C-N 3.33Å; L272-E274 PolarHBondContact O-N 3.05Å; L272-S275 WeakPolarHBondContact O-CB 3.15Å; L272-S275 PolarHBondContact O-N 3.05Å; L272-I276 HydrophobicContact CD1-CD1 4.08Å; L272-I276 HydrophobicContact CD1-CG1 4.4Å; L272-I276 HydrophobicContact CG-CD1 4.06Å; L272-I276 WeakPolarHBondContact O-CG1 3.31Å; L272-I276 PolarHBondContact O-N 3.19Å
273	A	98.4	Very high	96.9	Very high	54 Å²	54	74.4 Å²	74.4	45%	0.446	41%	0.407	S	S	.	.	H	α-helix	trans	-62.8	-38.3	177.5	0	0	0	0	0	112.3	Y269 N270 I276 S277	Y269-A273 PolarHBondContact O-N 3.33Å; N270-A273 WeakPolarHBondContact O-CB 3.41Å; N270-A273 PolarHBondContact O-N 3.5Å; A273-I276 PolarHBondContact O-N 3.07Å; A273-S277 PolarHBondContact O-N 3.05Å
274	E	98	Very high	97.1	Very high	115 Å²	115	73.5 Å²	73.5	54%	0.537	40%	0.401	S	S	.	.	H	α-helix	trans	-63.2	-46.7	173	-171.3	179.5	170.5	0	0	111.4	N270 L272 I276 S277 Q278	N270-E274 PolarHBondContact O-N 2.71Å; L272-E274 VanDerWaalsContact C-N 3.33Å; L272-E274 PolarHBondContact O-N 3.05Å; E274-I276 PolarHBondContact O-N 3.23Å; E274-S277 WeakPolarHBondContact CA-OG 3.31Å; E274-S277 PolarHBondContact O-N 2.94Å; E274-S277 PolarHBondContact O-OG 3.11Å; E274-Q278 WeakPolarHBondContact O-CG 3.48Å; E274-Q278 PolarHBondContact O-N 3.17Å; E274-Q278 VanDerWaalsContact O-N 3.09Å
275	S	97.6	Very high	97.3	Very high	13 Å²	13	73.1 Å²	73.1	9%	0.091	40%	0.398	C	S	.	.	H	α-helix	trans	-58.6	-33.1	176	-54.4	0	0	0	0	112.5	S81 E271 L272	S81-S275 CarbonylContact C-O 3.55Å; S81-S275 WeakPolarHBondContact CB-O 3.22Å; S81-S275 PolarHBondContact OG-O 3.07Å; S81-S275 VanDerWaalsContact OG-O 3.1Å; E271-S275 WeakPolarHBondContact O-CB 3.36Å; E271-S275 PolarHBondContact O-N 3.06Å; E271-S275 PolarHBondContact O-OG 3.05Å; L272-S275 WeakPolarHBondContact O-CB 3.15Å; L272-S275 PolarHBondContact O-N 3.05Å
276	I	98	Very high	97.4	Very high	88 Å²	88	75.7 Å²	75.7	45%	0.451	42%	0.415	S	S	.	.	H	α-helix	trans	-72.7	-42.1	173.6	-66.9	163.3	0	0	0	111.2	P82 L272 A273 E274 Q278 C279	P82-I276 HydrophobicContact CB-CG1 4.18Å; L272-I276 HydrophobicContact CD1-CD1 4.08Å; L272-I276 HydrophobicContact CD1-CG1 4.4Å; L272-I276 HydrophobicContact CG-CD1 4.06Å; L272-I276 WeakPolarHBondContact O-CG1 3.31Å; L272-I276 PolarHBondContact O-N 3.19Å; A273-I276 PolarHBondContact O-N 3.07Å; E274-I276 PolarHBondContact O-N 3.23Å; I276-Q278 PolarHBondContact O-N 3.5Å; I276-C279 VanDerWaalsContact O-CB 3.29Å; I276-C279 WeakPolarHBondContact O-CB 3.39Å; I276-C279 PolarHBondContact O-N 2.89Å; I276-C279 VanDerWaalsContact O-N 3.14Å
277	S	97.4	Very high	97.3	Very high	91 Å²	91	73.3 Å²	73.3	64%	0.636	40%	0.402	S	S	*	.	H	α-helix	trans	-67.3	-18.4	-179.8	73.1	0	0	0	0	114.4	A273 E274 C279	A273-S277 PolarHBondContact O-N 3.05Å; E274-S277 WeakPolarHBondContact CA-OG 3.31Å; E274-S277 PolarHBondContact O-N 2.94Å; E274-S277 PolarHBondContact O-OG 3.11Å; S277-C279 PolarHBondContact O-N 3Å
278	Q	96.1	Very high	97.3	Very high	104 Å²	104	76.1 Å²	76.1	49%	0.486	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-6.1	173.1	-71.6	173.2	8.9	0	0	113.7	S78 S81 E274 I276 D280	S78-Q278 WeakPolarHBondContact CB-O 3.44Å; S81-Q278 PolarHBondContact OG-OE1 3.36Å; E274-Q278 WeakPolarHBondContact O-CG 3.48Å; E274-Q278 PolarHBondContact O-N 3.17Å; E274-Q278 VanDerWaalsContact O-N 3.09Å; I276-Q278 PolarHBondContact O-N 3.5Å; Q278-D280 PolarHBondContact O-N 3.09Å
279	C	96.6	Very high	97.3	Very high	46 Å²	46	76.4 Å²	76.4	31%	0.311	41%	0.406	S	S	.	.			trans	-77.1	100.6	175.4	-169.8	0	0	0	0	110.8	S78 P82 I276 S277	S78-C279 WeakPolarHBondContact OG-CA 3.36Å; P82-C279 HydrophobicContact CG-CB 3.85Å; I276-C279 VanDerWaalsContact O-CB 3.29Å; I276-C279 WeakPolarHBondContact O-CB 3.39Å; I276-C279 PolarHBondContact O-N 2.89Å; I276-C279 VanDerWaalsContact O-N 3.14Å; S277-C279 PolarHBondContact O-N 3Å
280	D	97.1	Very high	97.3	Very high	86 Å²	86	73.7 Å²	73.7	46%	0.46	40%	0.403	S	S	.	.			trans	-98.3	100.8	174.7	-173	-21.2	0	0	0	110.6	S78 Q278 E282 A283 D284	S78-D280 PolarHBondContact OG-N 2.93Å; S78-D280 PolarHBondContact OG-O 3.27Å; Q278-D280 PolarHBondContact O-N 3.09Å; D280-E282 VanDerWaalsContact C-N 3.31Å; D280-E282 PolarHBondContact O-N 2.61Å; D280-E282 PolarHBondContact OD1-N 3.4Å; D280-A283 HydrophobicContact CB-CB 3.79Å; D280-A283 VanDerWaalsContact CG-CB 3.42Å; D280-A283 PolarHBondContact O-N 3.02Å; D280-A283 PolarHBondContact OD1-N 2.91Å; D280-D284 PolarHBondContact O-N 3.06Å; D280-D284 VanDerWaalsContact O-N 3.11Å
281	V	96.9	Very high	97.2	Very high	92 Å²	92	72.5 Å²	72.5	56%	0.558	40%	0.397	S	S	*	.	H	α-helix	trans	-61.2	-38.2	-179.3	-179.9	0	0	0	0	112	L285	V281-L285 HydrophobicContact CG1-CD1 4.09Å; V281-L285 WeakPolarHBondContact O-CB 3.38Å; V281-L285 VanDerWaalsContact O-CG 3.25Å; V281-L285 WeakPolarHBondContact O-CG 3.02Å; V281-L285 PolarHBondContact O-N 2.94Å
282	E	97.8	Very high	97.1	Very high	124 Å²	124	74.8 Å²	74.8	58%	0.579	41%	0.408	S	S	*	.	H	α-helix	trans	-76.6	-39.7	-177.2	-65	-62.9	146.3	0	0	110.4	D280 D284 L285 N286	D280-E282 VanDerWaalsContact C-N 3.31Å; D280-E282 PolarHBondContact O-N 2.61Å; D280-E282 PolarHBondContact OD1-N 3.4Å; E282-D284 VanDerWaalsContact C-N 3.31Å; E282-D284 PolarHBondContact O-N 2.96Å; E282-L285 PolarHBondContact O-N 3.18Å; E282-N286 WeakPolarHBondContact O-CB 3.36Å; E282-N286 VanDerWaalsContact O-CG 3.31Å; E282-N286 PolarHBondContact O-N 3.19Å; E282-N286 PolarHBondContact O-ND2 3.39Å
283	A	96.7	Very high	96.9	Very high	44 Å²	44	75.1 Å²	75.1	36%	0.364	42%	0.417	S	S	.	.	H	α-helix	trans	-58.6	-43	173.4	0	0	0	0	0	111.8	D280 N286 L287	D280-A283 HydrophobicContact CB-CB 3.79Å; D280-A283 VanDerWaalsContact CG-CB 3.42Å; D280-A283 PolarHBondContact O-N 3.02Å; D280-A283 PolarHBondContact OD1-N 2.91Å; A283-N286 PolarHBondContact O-N 3.34Å; A283-L287 VanDerWaalsContact O-CB 3.32Å; A283-L287 WeakPolarHBondContact O-CB 3.37Å; A283-L287 PolarHBondContact O-N 3.38Å
284	D	97	Very high	96.8	Very high	18 Å²	18	78.9 Å²	78.9	10%	0.096	43%	0.434	C	S	.	.	H	α-helix	trans	-70.7	-39.1	179.8	-72.5	-19.6	0	0	0	112.9	Y76 G77 S78 G79 D280 E282 N286 L287 W288	Y76-D284 HydrophobicContact CE2-CB 4.11Å; G77-D284 VanDerWaalsContact CA-OD1 3.28Å; G77-D284 WeakPolarHBondContact CA-OD1 3.38Å; S78-D284 WeakPolarHBondContact CA-OD2 3.41Å; S78-D284 WeakPolarHBondContact CB-OD2 3.49Å; S78-D284 VanDerWaalsContact N-CG 3.3Å; S78-D284 PolarHBondContact N-OD1 3.5Å; S78-D284 PolarHBondContact N-OD2 2.92Å; S78-D284 VanDerWaalsContact OG-CG 3.27Å; S78-D284 PolarHBondContact OG-OD1 2.98Å; S78-D284 PolarHBondContact OG-OD2 3Å; G79-D284 PolarHBondContact N-OD2 2.53Å; D280-D284 PolarHBondContact O-N 3.06Å; D280-D284 VanDerWaalsContact O-N 3.11Å; E282-D284 VanDerWaalsContact C-N 3.31Å; E282-D284 PolarHBondContact O-N 2.96Å; D284-N286 VanDerWaalsContact C-N 3.35Å; D284-N286 PolarHBondContact O-N 3.25Å; D284-L287 WeakPolarHBondContact O-CB 3.27Å; D284-L287 PolarHBondContact O-N 3.35Å; D284-W288 PolarHBondContact O-N 2.61Å
285	L	97.4	Very high	96.7	Very high	94 Å²	94	78.3 Å²	78.3	49%	0.492	44%	0.435	S	S	.	.	H	α-helix	trans	-62.3	-41.3	173.1	-72.9	173.3	0	0	0	112	V281 E282 W288 S289	V281-L285 HydrophobicContact CG1-CD1 4.09Å; V281-L285 WeakPolarHBondContact O-CB 3.38Å; V281-L285 VanDerWaalsContact O-CG 3.25Å; V281-L285 WeakPolarHBondContact O-CG 3.02Å; V281-L285 PolarHBondContact O-N 2.94Å; E282-L285 PolarHBondContact O-N 3.18Å; L285-W288 PolarHBondContact O-N 3.42Å; L285-S289 PolarHBondContact O-N 3.15Å
286	N	97.3	Very high	96.6	Very high	95 Å²	95	82.2 Å²	82.2	51%	0.508	45%	0.453	S	S	.	.	H	α-helix	trans	-67.4	-38.4	175.1	-72.8	-54.9	0	0	0	112	E282 A283 D284 W288 S289 S290	E282-N286 WeakPolarHBondContact O-CB 3.36Å; E282-N286 VanDerWaalsContact O-CG 3.31Å; E282-N286 PolarHBondContact O-N 3.19Å; E282-N286 PolarHBondContact O-ND2 3.39Å; A283-N286 PolarHBondContact O-N 3.34Å; D284-N286 VanDerWaalsContact C-N 3.35Å; D284-N286 PolarHBondContact O-N 3.25Å; N286-W288 VanDerWaalsContact C-N 3.32Å; N286-W288 PolarHBondContact O-N 3Å; N286-S289 PolarHBondContact O-N 3.31Å; N286-S290 WeakPolarHBondContact O-CB 3.12Å; N286-S290 PolarHBondContact O-N 3.25Å; N286-S290 PolarHBondContact O-OG 2.95Å
287	L	95.8	Very high	96.5	Very high	71 Å²	71	82.5 Å²	82.5	37%	0.372	46%	0.46	S	S	.	.	H	α-helix	trans	-62.5	-38.5	173.5	-178.5	66.2	0	0	0	111.7	Y76 A283 D284 S290 N291	Y76-L287 HydrophobicContact CD2-CD2 4.49Å; A283-L287 VanDerWaalsContact O-CB 3.32Å; A283-L287 WeakPolarHBondContact O-CB 3.37Å; A283-L287 PolarHBondContact O-N 3.38Å; D284-L287 WeakPolarHBondContact O-CB 3.27Å; D284-L287 PolarHBondContact O-N 3.35Å; L287-S290 PolarHBondContact O-OG 3.41Å; L287-N291 VanDerWaalsContact CD1-ND2 3.3Å; L287-N291 WeakPolarHBondContact CD1-ND2 3.43Å; L287-N291 WeakPolarHBondContact O-CB 3.42Å; L287-N291 PolarHBondContact O-N 3.37Å; L287-N291 PolarHBondContact O-ND2 3.41Å
288	W	96.9	Very high	96.2	Very high	124 Å²	124	86.4 Å²	86.4	47%	0.47	47%	0.466	S	S	.	.	H	α-helix	trans	-69.4	-45	174.8	-168.6	-86.7	0	0	0	112	Y76 D284 L285 N286 S290 N291 H292 G293	Y76-W288 AromaticContact CD1-CE3 3.9Å; Y76-W288 HydrophobicContact CD1-CE3 3.9Å; Y76-W288 AromaticContact CD1-CZ3 3.79Å; Y76-W288 HydrophobicContact CD1-CZ3 3.79Å; Y76-W288 HydrophobicContact CD2-CE3 4.15Å; Y76-W288 HydrophobicContact CE1-CD2 4.46Å; Y76-W288 AromaticContact CE1-CE3 3.48Å; Y76-W288 HydrophobicContact CE1-CE3 3.48Å; Y76-W288 VanDerWaalsContact CE1-CE3 3.48Å; Y76-W288 AromaticContact CE1-CZ3 3.64Å; Y76-W288 HydrophobicContact CE1-CZ3 3.64Å; Y76-W288 HydrophobicContact CE2-CB 4.13Å; Y76-W288 AromaticContact CE2-CE3 3.75Å; Y76-W288 HydrophobicContact CE2-CE3 3.75Å; Y76-W288 HydrophobicContact CG-CE3 4.22Å; Y76-W288 HydrophobicContact CG-CZ3 4.35Å; Y76-W288 AromaticContact CZ-CE3 3.4Å; Y76-W288 VanDerWaalsContact CZ-CE3 3.4Å; D284-W288 PolarHBondContact O-N 2.61Å; L285-W288 PolarHBondContact O-N 3.42Å; N286-W288 VanDerWaalsContact C-N 3.32Å; N286-W288 PolarHBondContact O-N 3Å; W288-S290 PolarHBondContact O-N 3.2Å; W288-N291 PolarHBondContact O-N 3.08Å; W288-H292 WeakPolarHBondContact O-CA 3.48Å; W288-H292 PolarHBondContact O-N 2.93Å; W288-G293 PolarHBondContact O-N 3.19Å
289	S	97.5	Very high	96	Very high	25 Å²	25	87.2 Å²	87.2	18%	0.175	48%	0.478	C	S	.	.	H	α-helix	trans	-64.7	-37.6	-178.4	-166.7	0	0	0	0	113	L285 N286 G293 D295	L285-S289 PolarHBondContact O-N 3.15Å; N286-S289 PolarHBondContact O-N 3.31Å; S289-G293 CarbonylContact O-C 3.19Å; S289-G293 WeakPolarHBondContact O-CA 3.4Å; S289-G293 PolarHBondContact O-N 3.28Å; S289-D295 WeakPolarHBondContact CB-OD2 3.46Å; S289-D295 PolarHBondContact O-N 3.37Å; S289-D295 PolarHBondContact OG-OD2 3.31Å
290	S	96.6	Very high	95.7	Very high	54 Å²	54	88 Å²	88	38%	0.378	48%	0.484	S	S	.	.	H	α-helix	trans	-71.6	-32.2	176.7	52.4	0	0	0	0	114.1	N286 L287 W288 M296	N286-S290 WeakPolarHBondContact O-CB 3.12Å; N286-S290 PolarHBondContact O-N 3.25Å; N286-S290 PolarHBondContact O-OG 2.95Å; L287-S290 PolarHBondContact O-OG 3.41Å; W288-S290 PolarHBondContact O-N 3.2Å; S290-M296 WeakPolarHBondContact O-CG 3.39Å
291	N	95.5	Very high	95.5	Very high	83 Å²	83	89.5 Å²	89.5	44%	0.444	50%	0.498	S	S	.	.	H	α-helix	trans	-91.6	-30.1	-179.4	-72.4	-47.5	0	0	0	114.4	L287 W288 M296	L287-N291 VanDerWaalsContact CD1-ND2 3.3Å; L287-N291 WeakPolarHBondContact CD1-ND2 3.43Å; L287-N291 WeakPolarHBondContact O-CB 3.42Å; L287-N291 PolarHBondContact O-N 3.37Å; L287-N291 PolarHBondContact O-ND2 3.41Å; W288-N291 PolarHBondContact O-N 3.08Å; N291-M296 WeakPolarHBondContact O-CE 3.41Å; N291-M296 VanDerWaalsContact O-SD 3.33Å
292	H	95.5	Very high	95.2	Very high	125 Å²	125	93 Å²	93	58%	0.579	51%	0.508	S	S	*	.	H	α-helix	trans	-139.8	-0.5	-168.2	-60	-40.1	0	0	0	114.4	W288	W288-H292 WeakPolarHBondContact O-CA 3.48Å; W288-H292 PolarHBondContact O-N 2.93Å
293	G	95.4	Very high	94.8	Very high	31 Å²	31	95.6 Å²	95.6	32%	0.32	52%	0.518	S	S	.	.	S	Bend	trans	-120.1	-149.5	-172.6	0	0	0	0	0	114.4	W288 S289 D295 M296	W288-G293 PolarHBondContact O-N 3.19Å; S289-G293 CarbonylContact O-C 3.19Å; S289-G293 WeakPolarHBondContact O-CA 3.4Å; S289-G293 PolarHBondContact O-N 3.28Å; G293-D295 VanDerWaalsContact C-N 3.32Å; G293-D295 PolarHBondContact O-N 3.49Å; G293-M296 WeakPolarHBondContact O-CG 3.46Å
294	V	95.7	Very high	94.3	Very high	134 Å²	134	101.2 Å²	101.2	81%	0.812	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-15.5	-171	-65.1	0	0	0	0	113.8	M296	V294-M296 VanDerWaalsContact C-N 3.31Å
295	D	96	Very high	93.8	Very high	103 Å²	103	108 Å²	108	55%	0.551	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-1.4	179.2	-57.6	-54.3	0	0	0	112.7	S289 G293	S289-D295 WeakPolarHBondContact CB-OD2 3.46Å; S289-D295 PolarHBondContact O-N 3.37Å; S289-D295 PolarHBondContact OG-OD2 3.31Å; G293-D295 VanDerWaalsContact C-N 3.32Å; G293-D295 PolarHBondContact O-N 3.49Å
296	M	96.4	Very high	93.2	Very high	95 Å²	95	112.1 Å²	112.1	47%	0.468	58%	0.579	S	S	.	*	S	Bend	trans	-60.9	142.9	168.5	-68.2	-173.8	78.7	0	0	111.1	S290 N291 G293 V294 F298	S290-M296 WeakPolarHBondContact O-CG 3.39Å; N291-M296 WeakPolarHBondContact O-CE 3.41Å; N291-M296 VanDerWaalsContact O-SD 3.33Å; G293-M296 WeakPolarHBondContact O-CG 3.46Å; V294-M296 VanDerWaalsContact C-N 3.31Å; M296-F298 PolarHBondContact O-N 3.4Å
297	P	94.4	Very high	92.4	Very high	94 Å²	94	109.4 Å²	109.4	61%	0.61	57%	0.567	S	S	*	*			trans	-58.7	107.9	-179.8	-26.6	35.3	0	0	0	114.1	V299	P297-V299 PolarHBondContact O-N 3.03Å
298	F	93	Very high	91.6	Very high	172 Å²	172	109.9 Å²	109.9	75%	0.754	57%	0.574	S	S	*	*			trans	-81.6	102	172.9	176.8	-113.8	0	0	0	111.5	M296 S300	M296-F298 PolarHBondContact O-N 3.4Å; F298-S300 PolarHBondContact O-N 3.11Å
299	V	90.5	Very high	90.3	Very high	122 Å²	122	109.1 Å²	109.1	74%	0.739	58%	0.579	S	S	*	*			trans	-85.6	95.1	169.2	-174.9	0	0	0	0	108.9	P297	P297-V299 PolarHBondContact O-N 3.03Å
300	S	90.8	Very high	88.8	Confident	61 Å²	61	111.8 Å²	111.8	43%	0.427	59%	0.591	S	S	.	*			trans	-57.4	136.3	169.4	-179	0	0	0	0	109.9	F298 Q302	F298-S300 PolarHBondContact O-N 3.11Å; S300-Q302 WeakPolarHBondContact O-CG 3.43Å; S300-Q302 PolarHBondContact O-N 3.2Å
301	P	91.9	Very high	87.4	Confident	119 Å²	119	111.5 Å²	111.5	77%	0.773	59%	0.592	S	S	*	*			trans	-52	131.9	172.4	-27	35	0	0	0	111.4
302	Q	90.5	Very high	85.8	Confident	164 Å²	164	116 Å²	116	77%	0.766	60%	0.604	S	S	*	*			trans	-115.4	168.3	174.5	-59.1	-168.2	6.2	0	0	109.4	S300 E304	S300-Q302 WeakPolarHBondContact O-CG 3.43Å; S300-Q302 PolarHBondContact O-N 3.2Å; Q302-E304 PolarHBondContact O-N 3.13Å; Q302-E304 VanDerWaalsContact O-N 3.17Å
303	F	89.7	Confident	84.2	Confident	180 Å²	180	116.2 Å²	116.2	79%	0.789	61%	0.608	S	S	*	*			trans	-68.2	113.5	171.9	174.3	-95.2	0	0	0	109.4	E305	F303-E305 HydrophobicContact CE1-CB 3.93Å; F303-E305 HydrophobicContact CE1-CG 4.36Å
304	E	87.4	Confident	82.5	Confident	161 Å²	161	120.5 Å²	120.5	75%	0.752	63%	0.628	S	S	*	*			trans	-92.7	120.2	170.2	-68.3	177.3	-164.8	0	0	108.9	Q302	Q302-E304 PolarHBondContact O-N 3.13Å; Q302-E304 VanDerWaalsContact O-N 3.17Å
305	E	86	Confident	80.7	Confident	162 Å²	162	117.8 Å²	117.8	76%	0.757	62%	0.615	S	S	*	*			trans	-70.3	137.8	177.8	-170.2	161	-152.3	0	0	110.4	F303 S307	F303-E305 HydrophobicContact CE1-CB 3.93Å; F303-E305 HydrophobicContact CE1-CG 4.36Å; E305-S307 PolarHBondContact O-N 3.39Å
306	Y	84.4	Confident	78.5	Confident	180 Å²	180	121.3 Å²	121.3	71%	0.706	63%	0.625	S	S	*	*			trans	-62.6	105.7	-178	170.9	-98	0	0	0	111	P308	Y306-P308 HydrophobicContact CE1-CG 4.14Å
307	S	81	Confident	76.1	Confident	38 Å²	38	126.1 Å²	126.1	27%	0.266	64%	0.644	S	S	.	*			trans	-91.2	128	166.3	176.8	0	0	0	0	110.8	E305 D309 L310	E305-S307 PolarHBondContact O-N 3.39Å; S307-D309 PolarHBondContact O-N 3.43Å; S307-D309 VanDerWaalsContact O-N 3.1Å; S307-D309 WeakPolarHBondContact OG-CB 3.48Å; S307-D309 PolarHBondContact OG-N 2.93Å; S307-D309 VanDerWaalsContact OG-N 3.11Å; S307-D309 PolarHBondContact OG-OD2 3.07Å; S307-L310 WeakPolarHBondContact O-CB 3.18Å; S307-L310 PolarHBondContact O-N 3.24Å; S307-L310 VanDerWaalsContact O-N 3.15Å
308	P	77.8	Confident	73.5	Confident	80 Å²	80	133.6 Å²	133.6	52%	0.519	66%	0.66	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.6	-23.1	168.2	-25.5	35.1	0	0	0	114	Y306 L310 A311	Y306-P308 HydrophobicContact CE1-CG 4.14Å; P308-L310 VanDerWaalsContact C-N 3.28Å; P308-L310 PolarHBondContact O-N 3.05Å; P308-A311 VanDerWaalsContact O-CB 3.28Å; P308-A311 WeakPolarHBondContact O-CB 3.48Å; P308-A311 PolarHBondContact O-N 3.35Å; P308-A311 VanDerWaalsContact O-N 3.14Å
309	D	71	Confident	71.3	Confident	108 Å²	108	129.1 Å²	129.1	58%	0.578	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-27.2	-179.9	-58.2	-44.5	0	0	0	112.5	S307 A311 Y312 I313	S307-D309 PolarHBondContact O-N 3.43Å; S307-D309 VanDerWaalsContact O-N 3.1Å; S307-D309 WeakPolarHBondContact OG-CB 3.48Å; S307-D309 PolarHBondContact OG-N 2.93Å; S307-D309 VanDerWaalsContact OG-N 3.11Å; S307-D309 PolarHBondContact OG-OD2 3.07Å; D309-A311 PolarHBondContact O-N 2.87Å; D309-Y312 WeakPolarHBondContact O-CB 3.39Å; D309-Y312 PolarHBondContact O-N 3.38Å; D309-I313 PolarHBondContact O-N 3.39Å
310	L	66.1	Low	69	Low	82 Å²	82	129.6 Å²	129.6	43%	0.429	66%	0.658	S	S	.	*	H	α-helix	trans	-63.3	-24.8	173.1	-78.3	156.3	0	0	0	112.5	S307 P308 Y312 I313 T314	S307-L310 WeakPolarHBondContact O-CB 3.18Å; S307-L310 PolarHBondContact O-N 3.24Å; S307-L310 VanDerWaalsContact O-N 3.15Å; P308-L310 VanDerWaalsContact C-N 3.28Å; P308-L310 PolarHBondContact O-N 3.05Å; L310-Y312 VanDerWaalsContact C-N 3.29Å; L310-Y312 PolarHBondContact O-N 2.96Å; L310-I313 HydrophobicContact CD2-CD1 4.44Å; L310-I313 PolarHBondContact O-N 3.19Å; L310-T314 PolarHBondContact O-N 3.18Å; L310-T314 VanDerWaalsContact O-N 3.09Å; L310-T314 PolarHBondContact O-OG1 3.25Å
311	A	65.6	Low	66.9	Low	48 Å²	48	134.4 Å²	134.4	40%	0.397	68%	0.678	S	S	.	*	H	α-helix	trans	-69.4	-25.9	173.8	0	0	0	0	0	112.7	P308 D309 S315	P308-A311 VanDerWaalsContact O-CB 3.28Å; P308-A311 WeakPolarHBondContact O-CB 3.48Å; P308-A311 PolarHBondContact O-N 3.35Å; P308-A311 VanDerWaalsContact O-N 3.14Å; D309-A311 PolarHBondContact O-N 2.87Å; A311-S315 WeakPolarHBondContact O-CB 3.47Å; A311-S315 PolarHBondContact O-OG 2.92Å
312	Y	62.7	Low	64.7	Low	177 Å²	177	135.4 Å²	135.4	69%	0.694	68%	0.682	S	S	*	*	H	α-helix	trans	-78.6	-29.6	173.5	-78	-79.5	0	0	0	112.8	D309 L310 S315	D309-Y312 WeakPolarHBondContact O-CB 3.39Å; D309-Y312 PolarHBondContact O-N 3.38Å; L310-Y312 VanDerWaalsContact C-N 3.29Å; L310-Y312 PolarHBondContact O-N 2.96Å; Y312-S315 PolarHBondContact O-OG 2.84Å
313	I	62.1	Low	62.9	Low	130 Å²	130	132.1 Å²	132.1	67%	0.667	67%	0.67	S	S	*	*	H	α-helix	trans	-75.2	-43.4	178.3	-59.3	173.5	0	0	0	110.4	D309 L310 S315	D309-I313 PolarHBondContact O-N 3.39Å; L310-I313 HydrophobicContact CD2-CD1 4.44Å; L310-I313 PolarHBondContact O-N 3.19Å; I313-S315 VanDerWaalsContact C-N 3.31Å; I313-S315 PolarHBondContact O-N 3.03Å
314	T	60.6	Low	61.3	Low	121 Å²	121	129.6 Å²	129.6	74%	0.742	67%	0.672	S	S	*	*	H	α-helix	trans	-74.2	-14.4	-177.6	48.3	0	0	0	0	114.8	L310	L310-T314 PolarHBondContact O-N 3.18Å; L310-T314 VanDerWaalsContact O-N 3.09Å; L310-T314 PolarHBondContact O-OG1 3.25Å
315	S	57.3	Low	59.7	Low	76 Å²	76	129 Å²	129	53%	0.531	67%	0.674	S	S	.	*	H	α-helix	trans	-97.5	-17.3	-176.2	52.9	0	0	0	0	115.3	A311 Y312 I313 K317	A311-S315 WeakPolarHBondContact O-CB 3.47Å; A311-S315 PolarHBondContact O-OG 2.92Å; Y312-S315 PolarHBondContact O-OG 2.84Å; I313-S315 VanDerWaalsContact C-N 3.31Å; I313-S315 PolarHBondContact O-N 3.03Å; S315-K317 VanDerWaalsContact C-N 3.32Å; S315-K317 PolarHBondContact O-N 3.24Å
316	K	48.5	Very low	58.1	Low	177 Å²	177	124.2 Å²	124.2	77%	0.77	66%	0.662	S	S	*	*			trans	-81.7	75	-179.3	-82.8	-171.1	175.3	178	0	113.7	R318	K316-R318 PolarHBondContact O-N 3.3Å
317	K	47	Very low	56.5	Low	196 Å²	196	121.2 Å²	121.2	85%	0.852	67%	0.665	S	S	*	*			trans	-62.6	92.2	168.5	-163.3	176.3	-170.9	176.1	0	111.8	S315 A319	S315-K317 VanDerWaalsContact C-N 3.32Å; S315-K317 PolarHBondContact O-N 3.24Å; K317-A319 PolarHBondContact O-N 2.59Å
318	R	39.8	Very low	54.9	Low	251 Å²	251	125.5 Å²	125.5	95%	0.947	69%	0.689	S	S	*	*	S	Bend	trans	34	71.7	149.7	-159	179.7	-163	168.5	5.1	116.1	K316	K316-R318 PolarHBondContact O-N 3.3Å
319	A	47.2	Very low	53.2	Low	79 Å²	79	126.7 Å²	126.7	65%	0.653	70%	0.695	S	S	*	*			trans	-145.4	113.6	170	0	0	0	0	0	112.5	K317	K317-A319 PolarHBondContact O-N 2.59Å
320	T	41.9	Very low	51.8	Low	132 Å²	132	129.4 Å²	129.4	81%	0.81	71%	0.708	S	S	*	*			trans	27.9	104.6	152.1	54.9	0	0	0	0	119
321	L	45.7	Very low	50.5	Low	161 Å²	161	130.7 Å²	130.7	84%	0.843	72%	0.72	S	S	*	*			trans	-133.4	86	154.6	-103.5	159.1	0	0	0	109.7	D323	L321-D323 PolarHBondContact O-N 3.45Å
322	T	45.2	Very low	49.2	Very low	140 Å²	140	134.9 Å²	134.9	86%	0.859	74%	0.735	S	S	*	*			trans	-81.7	90	164.6	47.2	0	0	0	0	108.9
323	D	53.9	Low	48	Very low	96 Å²	96	133.7 Å²	133.7	51%	0.513	74%	0.74	S	S	.	*			trans	-134.6	108.8	164.1	-169.7	-20.3	0	0	0	109.4	L321 N325	L321-D323 PolarHBondContact O-N 3.45Å; D323-N325 PolarHBondContact O-N 2.82Å; D323-N325 PolarHBondContact OD1-N 3.06Å
324	P	55.9	Low	46.6	Very low	127 Å²	127	132.2 Å²	132.2	83%	0.825	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-6	-178.4	-20.2	33.5	0	0	0	115.8
325	N	53.7	Low	45.5	Very low	148 Å²	148	134.2 Å²	134.2	79%	0.791	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	6.9	-168.7	-76.9	-32.5	0	0	0	115.5	D323 P327	D323-N325 PolarHBondContact O-N 2.82Å; D323-N325 PolarHBondContact OD1-N 3.06Å; N325-P327 WeakPolarHBondContact O-CD 3.33Å
326	A	53.4	Low	44.6	Very low	61 Å²	61	136.4 Å²	136.4	50%	0.504	74%	0.744	S	S	.	*			trans	-94.6	112.7	175.8	0	0	0	0	0	111.6	V328	A326-V328 VanDerWaalsContact C-N 3.35Å; A326-V328 PolarHBondContact O-N 2.81Å
327	P	49.4	Very low	43.9	Very low	118 Å²	118	133 Å²	133	77%	0.766	74%	0.743	S	S	*	*			trans	-74	87.6	173.4	30.8	-33.8	0	0	0	110.2	N325 T329	N325-P327 WeakPolarHBondContact O-CD 3.33Å; P327-T329 VanDerWaalsContact C-N 3.28Å; P327-T329 PolarHBondContact O-N 3.1Å
328	V	46.9	Very low	43.5	Very low	127 Å²	127	130 Å²	130	77%	0.77	73%	0.732	S	S	*	*			trans	-77.7	85.2	165.1	-177.1	0	0	0	0	107.9	A326 L330	A326-V328 VanDerWaalsContact C-N 3.35Å; A326-V328 PolarHBondContact O-N 2.81Å; V328-L330 PolarHBondContact O-N 3.18Å; V328-L330 VanDerWaalsContact O-N 3.1Å
329	T	43.7	Very low	43.2	Very low	106 Å²	106	123.3 Å²	123.3	65%	0.65	72%	0.72	S	S	*	*			trans	-70.3	101.6	169.5	44.4	0	0	0	0	109.6	P327 T331	P327-T329 VanDerWaalsContact C-N 3.28Å; P327-T329 PolarHBondContact O-N 3.1Å; T329-T331 PolarHBondContact O-N 3.46Å
330	L	40.6	Very low	42.6	Very low	164 Å²	164	128.9 Å²	128.9	86%	0.859	73%	0.73	S	S	*	*			trans	-67.9	74.3	157.3	-92	161.2	0	0	0	108.8	V328 N332	V328-L330 PolarHBondContact O-N 3.18Å; V328-L330 VanDerWaalsContact O-N 3.1Å; L330-N332 PolarHBondContact O-N 2.76Å
331	T	39.3	Very low	42.4	Very low	110 Å²	110	130.8 Å²	130.8	68%	0.675	74%	0.735	S	S	*	*			trans	-72	118.2	174.3	26	0	0	0	0	110.4	T329	T329-T331 PolarHBondContact O-N 3.46Å
332	N	37.7	Very low	42	Very low	135 Å²	135	130.6 Å²	130.6	72%	0.722	74%	0.735	S	S	*	*			trans	65.9	69.3	164.1	-57.6	5	0	0	0	116.8	L330 T334	L330-N332 PolarHBondContact O-N 2.76Å; N332-T334 VanDerWaalsContact C-N 3.33Å
333	I	38.1	Very low	41.5	Very low	153 Å²	153	132.5 Å²	132.5	79%	0.785	74%	0.735	S	S	*	*				-82.8	94.9	124.1	-62.1	177.7	0	0	0	105.7	M335	I333-M335 PolarHBondContact O-N 3.26Å; I333-M335 VanDerWaalsContact O-N 3.12Å
334	T	33.1	Very low	40.9	Very low	98 Å²	98	133.2 Å²	133.2	60%	0.601	75%	0.747	S	S	*	*			trans	-69.4	105.1	168	-45.6	0	0	0	0	106.7	N332 I336	N332-T334 VanDerWaalsContact C-N 3.33Å; T334-I336 PolarHBondContact O-N 2.98Å; T334-I336 VanDerWaalsContact O-N 3.17Å
335	M	37.3	Very low	40.1	Very low	163 Å²	163	134.7 Å²	134.7	80%	0.803	75%	0.748	S	S	*	*			trans	-53.8	122.6	160.2	-68.6	-73.6	-103.5	0	0	106.2	I333 S337	I333-M335 PolarHBondContact O-N 3.26Å; I333-M335 VanDerWaalsContact O-N 3.12Å; M335-S337 VanDerWaalsContact C-N 3.26Å; M335-S337 PolarHBondContact O-N 2.89Å
336	I	37.7	Very low	39.2	Very low	122 Å²	122	136.4 Å²	136.4	63%	0.626	75%	0.751	S	S	*	*			trans	-70.9	91.9	179.4	-56.5	177.4	0	0	0	106.9	T334 H338	T334-I336 PolarHBondContact O-N 2.98Å; T334-I336 VanDerWaalsContact O-N 3.17Å; I336-H338 WeakPolarHBondContact CG2-NE2 3.36Å; I336-H338 PolarHBondContact O-CD2 3.18Å; I336-H338 PolarHBondContact O-N 3.06Å
337	S	33.9	Very low	38.5	Very low	106 Å²	106	141.5 Å²	141.5	74%	0.741	77%	0.768	S	S	*	*			trans	-66.9	95.6	169.7	53.6	0	0	0	0	107.9	M335	M335-S337 VanDerWaalsContact C-N 3.26Å; M335-S337 PolarHBondContact O-N 2.89Å
338	H	38.6	Very low	37.8	Very low	134 Å²	134	141.2 Å²	141.2	62%	0.62	77%	0.765	S	S	*	*			trans	-68.8	132.2	176.2	-82.6	-82.7	0	0	0	110.3	I336	I336-H338 WeakPolarHBondContact CG2-NE2 3.36Å; I336-H338 PolarHBondContact O-CD2 3.18Å; I336-H338 PolarHBondContact O-N 3.06Å
339	P	34.8	Very low	37.4	Very low	110 Å²	110	140 Å²	140	71%	0.714	76%	0.762	S	S	*	*			trans	-88.3	120.4	-172.4	32.8	-33.1	0	0	0	112.1
340	F	34.7	Very low	37.1	Very low	196 Å²	196	142 Å²	142	86%	0.86	77%	0.768	S	S	*	*			trans	-141.2	46.1	164.5	-75.4	-67	0	0	0	111.9
341	D	36.6	Very low	36.9	Very low	171 Å²	171	140.7 Å²	140.7	91%	0.914	76%	0.762	S	S	*	*			trans	-96.3	103	155	-77.1	-40.8	0	0	0	107.1
342	N	37.5	Very low	36.9	Very low	158 Å²	158	141.2 Å²	141.2	85%	0.845	77%	0.77	S	S	*	*			trans	-94.5	140.2	-178	-135.3	6.7	0	0	0	110.5
343	E	35.7	Very low	36.8	Very low	180 Å²	180	144.2 Å²	144.2	84%	0.841	78%	0.777	S	S	*	*			trans	-65.9	143.9	-168.7	-59.7	166.5	112	0	0	114.3
344	S	41.2	Very low	36.8	Very low	110 Å²	110	142.7 Å²	142.7	77%	0.769	78%	0.78	S	S	*	*			trans	-158.7	124.4	138.5	-62.1	0	0	0	0	111.9
345	D	38.5	Very low	37	Very low	159 Å²	159	144.4 Å²	144.4	85%	0.85	79%	0.785	S	S	*	*			trans	70.6	94.1	151.1	-57.8	-14.8	0	0	0	121.4
346	E	34.9	Very low	37.2	Very low	183 Å²	183	144.5 Å²	144.5	86%	0.855	79%	0.789	S	S	*	*			trans	-63.1	129.1	151.4	-65.5	-173.9	120.4	0	0	111.9
347	I	39	Very low	37.2	Very low	168 Å²	168	144.8 Å²	144.8	86%	0.862	79%	0.792	S	S	*	*			trans	-131.4	128.4	140	-61.8	-174.7	0	0	0	109.3
348	T	34.9	Very low	37.6	Very low	113 Å²	113	148.4 Å²	148.4	69%	0.693	80%	0.797	S	S	*	*			trans	-77.6	141.6	-176.2	44.6	0	0	0	0	112.9
349	S	38.7	Very low	37.7	Very low	101 Å²	101	148.3 Å²	148.3	71%	0.706	80%	0.801	S	S	*	*				164.7	137.1	107.2	54.1	0	0	0	0	116
350	N	37.3	Very low	38	Very low	147 Å²	147	151.6 Å²	151.6	79%	0.786	80%	0.804	S	S	*	*			trans	63.8	92.1	142.6	-61.7	-22.7	0	0	0	122.3
351	N	36	Very low	38.1	Very low	137 Å²	137	150.7 Å²	150.7	73%	0.733	80%	0.8	S	S	*	*				58.9	107.4	104.5	-164.1	21.6	0	0	0	119.1
352	S	39.1	Very low	38.2	Very low	122 Å²	122	149 Å²	149	85%	0.853	79%	0.79	S	S	*	*				-169.2	146.3	127.4	-85.5	0	0	0	0	114
353	K	35.7	Very low	38.2	Very low	198 Å²	198	147.4 Å²	147.4	86%	0.861	78%	0.781	S	S	*	*			trans	-85.9	149.4	-173.9	-59.7	158.9	179.1	169.4	0	112.6
354	S	38.4	Very low	38.2	Very low	120 Å²	120	145.2 Å²	145.2	84%	0.839	78%	0.775	S	S	*	*			trans	-157.4	136.5	133	-164.7	0	0	0	0	112.5
355	N	37	Very low	38	Very low	135 Å²	135	144.7 Å²	144.7	72%	0.722	77%	0.772	S	S	*	*			trans	-79	159.1	173.3	-67.1	-35.7	0	0	0	111.2
356	N	40.2	Very low	37.9	Very low	164 Å²	164	144.1 Å²	144.1	88%	0.877	77%	0.767	S	S	*	*				-163.2	149	111	-102.5	-25.4	0	0	0	115.2
357	N	38.3	Very low	38	Very low	129 Å²	129	141.1 Å²	141.1	69%	0.69	76%	0.761	S	S	*	*			trans	-93.6	154.1	-175.9	-68.9	-64.5	0	0	0	112.8
358	H	43.3	Very low	38	Very low	181 Å²	181	137.8 Å²	137.8	84%	0.838	75%	0.753	S	S	*	*				-166.8	119.7	126.4	-87.7	-26.2	0	0	0	108.8
359	N	39.8	Very low	38.2	Very low	133 Å²	133	138.1 Å²	138.1	71%	0.711	76%	0.76	S	S	*	*				50.3	129.8	72.6	-86.2	-29.8	0	0	0	113
360	K	41.1	Very low	38.2	Very low	179 Å²	179	137.1 Å²	137.1	78%	0.778	76%	0.757	S	S	*	*			cis	-158	145	16.7	-101.4	168.4	178.2	176.3	0	107.8
361	K	36.4	Very low	38.3	Very low	176 Å²	176	138.3 Å²	138.3	77%	0.765	76%	0.764	S	S	*	*				82.2	140.5	73.4	-142	-167.1	-175.9	-168.5	0	116
362	L	39.2	Very low	38.2	Very low	135 Å²	135	135.3 Å²	135.3	71%	0.707	77%	0.765	S	S	*	*			trans	81.1	143.8	162.4	-56.1	-178.5	0	0	0	119.1
363	D	37.4	Very low	38.1	Very low	125 Å²	125	141.3 Å²	141.3	67%	0.668	77%	0.769	S	S	*	*			cis	-168.3	142	-29.3	-129.7	55.2	0	0	0	114.7
364	N	35.9	Very low	38.2	Very low	134 Å²	134	138.3 Å²	138.3	72%	0.717	76%	0.762	S	S	*	*			trans	61.3	138.5	136.7	-99.2	-37.6	0	0	0	128.4
365	S	36.6	Very low	38.4	Very low	100 Å²	100	139.7 Å²	139.7	70%	0.699	76%	0.755	S	S	*	*			trans	72.6	136.9	146.6	72.6	0	0	0	0	119.8
366	I	37.2	Very low	38.4	Very low	147 Å²	147	139.7 Å²	139.7	75%	0.754	76%	0.755	S	S	*	*				-162.6	124.8	65.7	-81.3	162.6	0	0	0	112.6
367	V	36.3	Very low	38.4	Very low	120 Å²	120	138.1 Å²	138.1	73%	0.727	75%	0.752	S	S	*	*			trans	20.9	127.9	130.7	-153.1	0	0	0	0	121.6
368	S	39.6	Very low	38.5	Very low	98 Å²	98	140 Å²	140	69%	0.685	76%	0.762	S	S	*	*				161.2	119	114.7	-71.2	0	0	0	0	116.2
369	S	38.5	Very low	38.4	Very low	120 Å²	120	138.2 Å²	138.2	84%	0.839	76%	0.758	S	S	*	*			trans	61	154.5	133.1	-53.8	0	0	0	0	121.8
370	A	39.6	Very low	38.5	Very low	79 Å²	79	137 Å²	137	65%	0.653	76%	0.758	S	S	*	*			cis	-173.3	137.5	-26.4	0	0	0	0	0	107.7
371	N	38.4	Very low	38.4	Very low	172 Å²	172	137.5 Å²	137.5	92%	0.92	76%	0.761	S	S	*	*			trans	162.2	123.1	142.1	-87.8	-19.9	0	0	0	110.2
372	G	33.5	Very low	38.9	Very low	74 Å²	74	137.2 Å²	137.2	76%	0.763	77%	0.767	S	S	*	*			trans	-102.8	174.2	175.3	0	0	0	0	0	112.9
373	R	37.7	Very low	38.9	Very low	249 Å²	249	138.5 Å²	138.5	94%	0.94	78%	0.775	S	S	*	*			trans	-153.7	127.8	152.5	-104.9	165.1	-171.8	171.8	2.2	109
374	N	38.1	Very low	39.1	Very low	134 Å²	134	142.4 Å²	142.4	72%	0.717	79%	0.786	S	S	*	*			trans	-66.6	175.3	157.9	-41.3	-31	0	0	0	108.1
375	H	41.6	Very low	39.1	Very low	149 Å²	149	140.3 Å²	140.3	69%	0.69	79%	0.787	S	S	*	*			cis	-154.1	163.7	12.7	-88.1	-69.4	0	0	0	105.6
376	D	38.5	Very low	39.2	Very low	136 Å²	136	140.3 Å²	140.3	73%	0.727	79%	0.787	S	S	*	*			cis	-157	174.6	-3.1	-114.9	-15.7	0	0	0	110.2
377	T	39.6	Very low	39.2	Very low	130 Å²	130	138.9 Å²	138.9	80%	0.798	79%	0.786	S	S	*	*			trans	-80.9	129.8	172.3	51.8	0	0	0	0	112.3
378	N	39.6	Very low	39.2	Very low	168 Å²	168	140 Å²	140	90%	0.898	79%	0.788	S	S	*	*			trans	-123	126.6	164.4	-95.9	-22.1	0	0	0	110.9
379	N	41.9	Very low	39.3	Very low	144 Å²	144	142.4 Å²	142.4	77%	0.77	80%	0.798	S	S	*	*			trans	-86	133.5	177.6	-165	25.5	0	0	0	109.3	F381	N379-F381 PolarHBondContact O-N 2.92Å
380	P	42	Very low	39.3	Very low	109 Å²	109	146.1 Å²	146.1	71%	0.708	80%	0.799	S	S	*	*			trans	-92.7	84.2	-169.8	35.1	-34.3	0	0	0	113.2
381	F	39.5	Very low	39.2	Very low	189 Å²	189	147.3 Å²	147.3	83%	0.829	80%	0.8	S	S	*	*			trans	-149.9	83.3	163.2	-81.6	-74.4	0	0	0	111.2	N379	N379-F381 PolarHBondContact O-N 2.92Å
382	D	45.5	Very low	39.2	Very low	170 Å²	170	146 Å²	146	91%	0.909	80%	0.798	S	S	*	*			trans	-167.5	108.8	148.7	-115.8	-25.8	0	0	0	111.3
383	D	39.3	Very low	39.3	Very low	162 Å²	162	150.6 Å²	150.6	87%	0.866	81%	0.805	S	S	*	*			trans	-112.8	98.1	-175.8	-135.3	-14.1	0	0	0	109.7
384	K	42.6	Very low	39.3	Very low	207 Å²	207	142.2 Å²	142.2	90%	0.9	80%	0.797	S	S	*	*			trans	-139.9	100.4	165.5	-79.1	-160.1	176.8	174.5	0	113.7
385	A	35.5	Very low	39.2	Very low	89 Å²	89	142.3 Å²	142.3	74%	0.736	80%	0.802	S	S	*	*			trans	-41.4	141.6	169.6	0	0	0	0	0	116.5
386	S	38.9	Very low	38.8	Very low	100 Å²	100	144.8 Å²	144.8	70%	0.699	81%	0.811	S	S	*	*				168.1	120	101.5	-74.4	0	0	0	0	116.2
387	T	37.8	Very low	38.6	Very low	118 Å²	118	143.4 Å²	143.4	72%	0.724	82%	0.819	S	S	*	*			trans	70.9	133	134.8	62.9	0	0	0	0	124.6
388	N	36	Very low	38.2	Very low	144 Å²	144	140.8 Å²	140.8	77%	0.77	82%	0.817	S	S	*	*			trans	68.1	113.5	145.5	-66.8	-17.2	0	0	0	119.4
389	T	40.1	Very low	38	Very low	147 Å²	147	141.3 Å²	141.3	90%	0.902	81%	0.814	S	S	*	*				-164.3	-177.4	70	28	0	0	0	0	113
390	K	39.5	Very low	37.6	Very low	199 Å²	199	144.3 Å²	144.3	87%	0.865	82%	0.816	S	S	*	*			trans	-122.5	-171.8	-153.6	-138.1	-169.2	-178.5	177.3	0	112.5
391	P	38.4	Very low	37.3	Very low	104 Å²	104	144.1 Å²	144.1	68%	0.675	82%	0.823	S	S	*	*				-121.7	177.2	-110.7	43.4	-28.2	0	0	0	115.8
392	T	38.3	Very low	37.1	Very low	143 Å²	143	144 Å²	144	88%	0.877	83%	0.828	S	S	*	*			trans	-142.9	163.6	157.2	50.8	0	0	0	0	112.8
393	N	35.6	Very low	36.7	Very low	171 Å²	171	141 Å²	141	91%	0.914	82%	0.82	S	S	*	*			trans	-89.4	157.9	-158.7	-59.8	-45.7	0	0	0	116.2
394	G	36.1	Very low	36.5	Very low	74 Å²	74	138.9 Å²	138.9	76%	0.763	82%	0.818	S	S	*	*			trans	-174.8	58.9	174	0	0	0	0	0	119.1
395	V	36.1	Very low	36.4	Very low	135 Å²	135	134.3 Å²	134.3	82%	0.818	81%	0.812	S	S	*	*			trans	35.1	106.4	150.2	-171.2	0	0	0	0	122.1
396	K	34.3	Very low	36.5	Very low	201 Å²	201	136 Å²	136	87%	0.874	82%	0.818	S	S	*	*			trans	47.7	140.1	133.1	-65.8	-170.8	174.4	-174.9	0	125.2
397	A	34.3	Very low	36.5	Very low	108 Å²	108	136 Å²	136	89%	0.893	83%	0.825	S	S	*	*			trans	76.4	132.4	151.1	0	0	0	0	0	117.9
398	G	31	Very low	36.4	Very low	74 Å²	74	135.4 Å²	135.4	76%	0.763	83%	0.832	S	S	*	*			cis	157.5	114.8	-10.1	0	0	0	0	0	111.6
399	E	35.5	Very low	36.5	Very low	180 Å²	180	133.4 Å²	133.4	84%	0.841	84%	0.835	S	S	*	*			trans	-156.4	127.6	-175.9	-137.1	149.4	-152.4	0	0	112.8
400	Y	33.1	Very low	36.3	Very low	207 Å²	207	136.7 Å²	136.7	81%	0.812	84%	0.837	S	S	*	*			trans	25.9	118.3	159.6	-65.6	-105.5	0	0	0	121.2
401	A	35.5	Very low	36.3	Very low	104 Å²	104	132.1 Å²	132.1	86%	0.86	84%	0.837	S	S	*	*			trans	-133	106.9	150.3	0	0	0	0	0	109.7
402	M	35.1	Very low	36.1	Very low	187 Å²	187	131.4 Å²	131.4	92%	0.921	85%	0.848	S	S	*	*			trans	-79.6	118.8	163.2	-76.2	-144.4	-167.2	0	0	108.6
403	S	36.9	Very low	36	Very low	106 Å²	106	128 Å²	128	74%	0.741	84%	0.842	S	S	*	*			trans	-97.4	116	167.4	179.3	0	0	0	0	108.9
404	S	36.5	Very low	35.9	Very low	119 Å²	119	124 Å²	124	83%	0.832	84%	0.84	S	S	*	*			trans	-77.5	127.3	168.2	50.9	0	0	0	0	110.1
405	S	40.3	Very low	35.9	Very low	111 Å²	111	128.3 Å²	128.3	78%	0.776	85%	0.846	S	S	*	*			trans	-129.9	104	174.2	-62.1	0	0	0	0	110.1
406	S	37.3	Very low	35.8	Very low	123 Å²	123	125.2 Å²	125.2	86%	0.86	84%	0.841	S	S	*	*			trans	-97.8	114	167.9	51.3	0	0	0	0	109.7
407	A	38.4	Very low	36	Very low	102 Å²	102	121.4 Å²	121.4	84%	0.843	84%	0.84	S	S	*	*			trans	-156.4	123.9	162.7	0	0	0	0	0	109.7
408	A	36.6	Very low	36.3	Very low	105 Å²	105	122.8 Å²	122.8	87%	0.868	84%	0.837	S	S	*	*			trans	-88.7	138.8	174.7	0	0	0	0	0	110.8
409	A	37.7	Very low	36.8	Very low	102 Å²	102	126.2 Å²	126.2	84%	0.843	84%	0.838	S	S	*	*			trans	-154	129.6	161.5	0	0	0	0	0	110.4
410	F	36.8	Very low	36.9	Very low	215 Å²	215	123.5 Å²	123.5	94%	0.943	84%	0.836	S	S	*	*			trans	-75.9	119.2	176	-78.3	-104.2	0	0	0	111.2
411	A	38.7	Very low	37.3	Very low	103 Å²	103	120.5 Å²	120.5	85%	0.851	83%	0.833	S	S	*	*			trans	-178	73.8	151.2	0	0	0	0	0	111.4	G413	A411-G413 PolarHBondContact O-N 2.86Å
412	G	34.8	Very low	37.2	Very low	89 Å²	89	126.2 Å²	126.2	92%	0.918	83%	0.834	S	S	*	*			trans	-89.5	81.3	-179.7	0	0	0	0	0	113.9
413	G	35.8	Very low	37.1	Very low	72 Å²	72	125.5 Å²	125.5	74%	0.742	83%	0.826	S	S	*	*			trans	-85.2	143.3	155	0	0	0	0	0	109.5	A411	A411-G413 PolarHBondContact O-N 2.86Å
414	G	32.4	Very low	37	Very low	86 Å²	86	129 Å²	129	89%	0.887	83%	0.83	S	S	*	*			trans	-51.4	136.8	-160.7	0	0	0	0	0	118.4
415	D	37.8	Very low	37	Very low	166 Å²	166	132.4 Å²	132.4	89%	0.888	83%	0.833	S	S	*	*				-150.5	152.5	123.6	-162.3	1.5	0	0	0	108.4
416	G	33.3	Very low	37	Very low	69 Å²	69	131.5 Å²	131.5	71%	0.711	82%	0.818	S	S	*	*			trans	-94.8	118.3	-170.9	0	0	0	0	0	113.7
417	S	37.9	Very low	37.6	Very low	122 Å²	122	129.6 Å²	129.6	85%	0.853	80%	0.799	S	S	*	*			trans	-129.8	102.6	159.4	55.5	0	0	0	0	110
418	V	41.4	Very low	39.1	Very low	137 Å²	137	129.6 Å²	129.6	83%	0.83	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-101.5	120.8	174.5	178.8	0	0	0	0	107.9
419	D	42.1	Very low	40.8	Very low	145 Å²	145	125.2 Å²	125.2	78%	0.775	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-66.4	139.8	173.8	-84.1	-44.4	0	0	0	111.1	I421	D419-I421 PolarHBondContact O-N 3.42Å
420	P	37	Very low	42.8	Very low	123 Å²	123	123.1 Å²	123.1	80%	0.799	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-81.1	117.7	-162.6	30.6	-35.5	0	0	0	112.9
421	I	40.5	Very low	45.1	Very low	145 Å²	145	119 Å²	119	74%	0.744	70%	0.704	S	S	*	*			trans	-128.7	104.5	174.6	-59.4	-177.6	0	0	0	108.9	D419	D419-I421 PolarHBondContact O-N 3.42Å
422	Y	33.5	Very low	47.3	Very low	224 Å²	224	117 Å²	117	88%	0.878	68%	0.679	S	S	*	*			trans	46.7	81.3	172.2	-64.1	-82.8	0	0	0	116.7	E424	Y422-E424 PolarHBondContact O-N 2.85Å
423	F	32.7	Very low	49.6	Very low	172 Å²	172	115.8 Å²	115.8	75%	0.754	65%	0.651	S	S	*	*			trans	-63.1	116.3	150.6	-132.4	-114.7	0	0	0	107.5	I426	F423-I426 HydrophobicContact CD1-CG1 4.22Å; F423-I426 HydrophobicContact CE1-CB 3.86Å; F423-I426 HydrophobicContact CE1-CD1 3.69Å; F423-I426 HydrophobicContact CE1-CG1 3.59Å; F423-I426 HydrophobicContact CE2-CD1 4.3Å; F423-I426 HydrophobicContact CZ-CD1 3.49Å; F423-I426 VanDerWaalsContact CZ-CD1 3.49Å; F423-I426 HydrophobicContact CZ-CG1 3.96Å
424	E	36.4	Very low	51.7	Low	179 Å²	179	115.3 Å²	115.3	84%	0.836	65%	0.647	S	S	*	*			trans	-60	140.5	145.4	-76	-169.4	132.6	0	0	106.4	Y422 I426	Y422-E424 PolarHBondContact O-N 2.85Å; E424-I426 VanDerWaalsContact C-N 3.33Å; E424-I426 PolarHBondContact O-N 2.99Å
425	E	34.6	Very low	54.2	Low	190 Å²	190	119.9 Å²	119.9	89%	0.888	64%	0.638	S	S	*	*			trans	-59.8	97.3	177.1	-70.9	172.2	140.3	0	0	108.9	N427	E425-N427 VanDerWaalsContact C-N 3.33Å; E425-N427 PolarHBondContact O-N 2.8Å
426	I	42.1	Very low	56.4	Low	92 Å²	92	121.2 Å²	121.2	47%	0.472	64%	0.638	S	S	.	*			trans	-58.3	107.2	160	-60.5	-176.6	0	0	0	104.1	F423 E424 D428 Y431	F423-I426 HydrophobicContact CD1-CG1 4.22Å; F423-I426 HydrophobicContact CE1-CB 3.86Å; F423-I426 HydrophobicContact CE1-CD1 3.69Å; F423-I426 HydrophobicContact CE1-CG1 3.59Å; F423-I426 HydrophobicContact CE2-CD1 4.3Å; F423-I426 HydrophobicContact CZ-CD1 3.49Å; F423-I426 VanDerWaalsContact CZ-CD1 3.49Å; F423-I426 HydrophobicContact CZ-CG1 3.96Å; E424-I426 VanDerWaalsContact C-N 3.33Å; E424-I426 PolarHBondContact O-N 2.99Å; I426-D428 VanDerWaalsContact C-N 3.31Å; I426-D428 PolarHBondContact O-N 2.92Å; I426-Y431 HydrophobicContact CG2-CD2 4.2Å; I426-Y431 HydrophobicContact CG2-CG 4.47Å
427	N	49.4	Very low	58.9	Low	84 Å²	84	118.8 Å²	118.8	45%	0.449	61%	0.613	S	S	.	*			trans	-69.1	95.8	-176.9	-163.8	9.9	0	0	0	107.5	E425 A429 T430 D452	E425-N427 VanDerWaalsContact C-N 3.33Å; E425-N427 PolarHBondContact O-N 2.8Å; N427-A429 PolarHBondContact O-N 2.74Å; N427-A429 VanDerWaalsContact O-N 3.09Å; N427-T430 PolarHBondContact O-N 3.32Å; N427-T430 PolarHBondContact O-OG1 2.99Å; N427-D452 WeakPolarHBondContact ND2-CB 3.32Å
428	D	69.1	Low	61.5	Low	102 Å²	102	117.4 Å²	117.4	55%	0.545	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-54.3	-35.6	-163.9	-172.9	5	0	0	0	111.9	I426 T430 Y431 K475	I426-D428 VanDerWaalsContact C-N 3.31Å; I426-D428 PolarHBondContact O-N 2.92Å; D428-T430 PolarHBondContact O-N 3.38Å; D428-Y431 PolarHBondContact O-N 3.1Å; D428-K475 WeakPolarHBondContact O-CE 3.5Å; D428-K475 PolarHBondContact O-NZ 3.37Å; D428-K475 IonicContact OD1-NZ 2.76Å; D428-K475 PolarHBondContact OD1-NZ 2.96Å; D428-K475 VanDerWaalsContact OD1-NZ 3.13Å
429	A	72.2	Confident	63.9	Low	12 Å²	12	117 Å²	117	10%	0.099	59%	0.586	C	S	.	*	G	3₁₀ helix	trans	-41.1	-37	168	0	0	0	0	0	114.8	N427 D452 G483 L484	N427-A429 PolarHBondContact O-N 2.74Å; N427-A429 VanDerWaalsContact O-N 3.09Å; A429-D452 HydrophobicContact CB-CB 3.82Å; A429-G483 VanDerWaalsContact O-CA 3.27Å; A429-G483 WeakPolarHBondContact O-CA 3.37Å; A429-L484 HydrophobicContact CB-CD1 3.84Å; A429-L484 HydrophobicContact CB-CD2 4.33Å; A429-L484 HydrophobicContact CB-CG 3.75Å
430	T	81	Confident	66.4	Low	59 Å²	59	110.3 Å²	110.3	36%	0.362	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-102.4	-5.3	-176.8	63	0	0	0	0	114.9	N427 D428 D432 D452	N427-T430 PolarHBondContact O-N 3.32Å; N427-T430 PolarHBondContact O-OG1 2.99Å; D428-T430 PolarHBondContact O-N 3.38Å; T430-D432 PolarHBondContact O-N 3.37Å; T430-D452 HydrophobicContact CG2-CB 3.72Å
431	Y	83.7	Confident	69.1	Low	127 Å²	127	109.8 Å²	109.8	50%	0.498	53%	0.533	S	S	.	.			trans	-74.4	122.8	-177.7	-179.6	-105.5	0	0	0	111.5	I426 D428 D433 K475	I426-Y431 HydrophobicContact CG2-CD2 4.2Å; I426-Y431 HydrophobicContact CG2-CG 4.47Å; D428-Y431 PolarHBondContact O-N 3.1Å; Y431-D433 HydrophobicContact CD1-CB 4.43Å; Y431-D433 HydrophobicContact CE1-CB 3.81Å; Y431-K475 WeakPolarHBondContact O-CE 3.49Å; Y431-K475 PolarHBondContact O-NZ 2.87Å
432	D	86.3	Confident	71.6	Confident	63 Å²	63	103 Å²	103	34%	0.337	50%	0.499	S	S	.	.			trans	-100.6	117.2	175.1	-164.2	-20.6	0	0	0	110.6	T430 G434 R477 V482	T430-D432 PolarHBondContact O-N 3.37Å; D432-G434 PolarHBondContact OD1-N 2.83Å; D432-R477 IonicContact OD1-CZ 3.25Å; D432-R477 IonicContact OD1-NE 3.2Å; D432-R477 PolarHBondContact OD1-NE 3.09Å; D432-R477 IonicContact OD1-NH2 2.88Å; D432-R477 PolarHBondContact OD1-NH2 2.87Å; D432-R477 IonicContact OD2-CZ 2.76Å; D432-R477 IonicContact OD2-NE 3.25Å; D432-R477 PolarHBondContact OD2-NE 3.06Å; D432-R477 IonicContact OD2-NH2 2.7Å; D432-V482 HydrophobicContact CB-CB 4.37Å; D432-V482 HydrophobicContact CB-CG2 3.63Å; D432-V482 WeakPolarHBondContact OD2-CG2 3.48Å
433	D	81.8	Confident	74.1	Confident	62 Å²	62	95.7 Å²	95.7	33%	0.332	47%	0.474	S	S	.	.			trans	-95.4	2.7	177.6	72.6	7.3	0	0	0	114.2	Y431 R435	Y431-D433 HydrophobicContact CD1-CB 4.43Å; Y431-D433 HydrophobicContact CE1-CB 3.81Å; D433-R435 VanDerWaalsContact C-N 3.32Å; D433-R435 PolarHBondContact O-N 3.25Å; D433-R435 WeakPolarHBondContact OD1-CB 3.39Å; D433-R435 WeakPolarHBondContact OD1-CG 3.49Å; D433-R435 PolarHBondContact OD1-N 2.98Å; D433-R435 IonicContact OD1-NE 2.9Å; D433-R435 IonicContact OD2-CZ 3.24Å; D433-R435 IonicContact OD2-NE 2.63Å; D433-R435 PolarHBondContact OD2-NE 2.82Å; D433-R435 IonicContact OD2-NH2 2.71Å; D433-R435 PolarHBondContact OD2-NH2 3.09Å
434	G	80.7	Confident	76.7	Confident	63 Å²	63	94 Å²	94	65%	0.649	46%	0.464	S	S	*	.			trans	75.1	6.4	178	0	0	0	0	0	116	D432	D432-G434 PolarHBondContact OD1-N 2.83Å
435	R	84.7	Confident	79.1	Confident	182 Å²	182	90.3 Å²	90.3	69%	0.687	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-69.2	149.9	175	-72.3	-173.6	-103.1	-171.1	-1.7	112.1	D433 G437 R477	D433-R435 VanDerWaalsContact C-N 3.32Å; D433-R435 PolarHBondContact O-N 3.25Å; D433-R435 WeakPolarHBondContact OD1-CB 3.39Å; D433-R435 WeakPolarHBondContact OD1-CG 3.49Å; D433-R435 PolarHBondContact OD1-N 2.98Å; D433-R435 IonicContact OD1-NE 2.9Å; D433-R435 IonicContact OD2-CZ 3.24Å; D433-R435 IonicContact OD2-NE 2.63Å; D433-R435 PolarHBondContact OD2-NE 2.82Å; D433-R435 IonicContact OD2-NH2 2.71Å; D433-R435 PolarHBondContact OD2-NH2 3.09Å; R435-G437 PolarHBondContact O-N 2.74Å; R435-R477 PolarHBondContact O-NH1 3.42Å; R435-R477 PolarHBondContact O-NH2 3.11Å
436	E	83.8	Confident	81.6	Confident	194 Å²	194	82.1 Å²	82.1	91%	0.907	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-70.7	124.7	172.5	-67.9	-170.7	162.1	0	0	110.3
437	G	86.2	Confident	83.8	Confident	18 Å²	18	83.1 Å²	83.1	19%	0.186	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-91.3	168.3	177.5	0	0	0	0	0	114.4	R435 K464	R435-G437 PolarHBondContact O-N 2.74Å; G437-K464 CarbonylContact C-O 3.57Å; G437-K464 WeakPolarHBondContact CA-O 3.47Å
438	V	91.4	Very high	85.5	Confident	92 Å²	92	80.1 Å²	80.1	56%	0.558	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	126.7	174.8	-179.2	0	0	0	0	109.6	V440 K464	V438-V440 PolarHBondContact O-N 3.24Å; V438-K464 PolarHBondContact N-O 3.36Å; V438-K464 PolarHBondContact O-N 3.02Å
439	K	93	Very high	86.1	Confident	129 Å²	129	82.7 Å²	82.7	56%	0.561	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	127.5	178.6	-70.1	-171.2	177.8	-174.8	0	111.9	T461 F462 C493	K439-T461 HydrophobicContact CB-CG2 4.45Å; K439-F462 WeakPolarHBondContact CA-O 3.49Å; K439-C493 HydrophobicContact CB-CB 4.11Å; K439-C493 WeakPolarHBondContact O-CB 3.48Å; K439-C493 PolarHBondContact O-N 2.55Å
440	V	94.9	Very high	86.6	Confident	4 Å²	4	87.5 Å²	87.5	2%	0.024	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	153.3	175.4	-63.8	0	0	0	0	110.3	V438 T461 F462 K464 V490 E491	V438-V440 PolarHBondContact O-N 3.24Å; V440-T461 VanDerWaalsContact O-CA 3.31Å; V440-T461 WeakPolarHBondContact O-CA 3.37Å; V440-F462 HydrophobicContact CG2-CD1 4.39Å; V440-F462 HydrophobicContact CG2-CD2 3.79Å; V440-F462 HydrophobicContact CG2-CE1 4.33Å; V440-F462 HydrophobicContact CG2-CE2 3.71Å; V440-F462 HydrophobicContact CG2-CG 4.16Å; V440-F462 HydrophobicContact CG2-CZ 4.02Å; V440-F462 PolarHBondContact N-O 3.45Å; V440-F462 PolarHBondContact O-N 3.41Å; V440-K464 HydrophobicContact CG1-CB 3.85Å; V440-K464 HydrophobicContact CG1-CD 4.45Å; V440-K464 HydrophobicContact CG2-CB 4.4Å; V440-V490 HydrophobicContact CB-CB 4Å; V440-V490 HydrophobicContact CB-CG2 3.95Å; V440-V490 HydrophobicContact CG1-CG2 4.12Å; V440-V490 HydrophobicContact CG2-CB 4.17Å; V440-V490 HydrophobicContact CG2-CG1 4.2Å; V440-V490 HydrophobicContact CG2-CG2 4.18Å; V440-E491 CarbonylContact C-O 3.59Å; V440-E491 VanDerWaalsContact CA-O 3.26Å; V440-E491 WeakPolarHBondContact CA-O 3.28Å; V440-E491 WeakPolarHBondContact CB-O 3.42Å
441	R	93.3	Very high	86.6	Confident	112 Å²	112	87.6 Å²	87.6	42%	0.423	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.9	174.7	176.1	170.3	65.7	-151.6	1.2	109.9	D460 V490 E491	R441-D460 CarbonylContact C-O 3.57Å; R441-D460 WeakPolarHBondContact CA-O 3.48Å; R441-V490 CarbonylContact O-C 3.44Å; R441-V490 WeakPolarHBondContact O-CA 3.4Å; R441-V490 WeakPolarHBondContact O-CB 3.49Å; R441-E491 HydrophobicContact CB-CG 4.14Å; R441-E491 IonicContact CZ-OE1 2.67Å; R441-E491 PolarHBondContact N-O 2.99Å; R441-E491 IonicContact NE-OE1 2.68Å; R441-E491 PolarHBondContact NE-OE1 3.32Å; R441-E491 VanDerWaalsContact NH2-CD 3.31Å; R441-E491 IonicContact NH2-OE1 3.07Å; R441-E491 PolarHBondContact NH2-OE1 2.99Å; R441-E491 IonicContact NH2-OE2 3.68Å; R441-E491 PolarHBondContact O-N 3.42Å
442	A	92.2	Very high	86.9	Confident	3 Å²	3	83.2 Å²	83.2	3%	0.025	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	128.8	173.6	0	0	0	0	0	111.5	F456 L457 G459 D460 F462	A442-F456 HydrophobicContact CB-CD2 3.46Å; A442-F456 VanDerWaalsContact CB-CD2 3.46Å; A442-F456 HydrophobicContact CB-CE2 3.85Å; A442-F456 HydrophobicContact CB-CG 4.35Å; A442-L457 WeakPolarHBondContact CB-O 3.45Å; A442-G459 PolarHBondContact O-N 3.14Å; A442-D460 HydrophobicContact CB-CB 4.41Å; A442-D460 PolarHBondContact N-O 2.96Å; A442-F462 HydrophobicContact CB-CE1 4.34Å
443	L	86.9	Confident	87	Confident	70 Å²	70	80.8 Å²	80.8	37%	0.366	43%	0.427	S	S	.	.	S	Bend	trans	-86.8	-28.4	174	-67	173.8	0	0	0	112.3	Y489 E491	L443-Y489 PolarHBondContact N-O 2.82Å; L443-E491 HydrophobicContact CD1-CB 4.35Å; L443-E491 HydrophobicContact CD2-CB 4.2Å; L443-E491 HydrophobicContact CD2-CG 3.93Å; L443-E491 WeakPolarHBondContact CD2-OE1 3.4Å; L443-E491 HydrophobicContact CG-CB 4.34Å; L443-E491 HydrophobicContact CG-CG 4.38Å
444	Y	86.8	Confident	87.4	Confident	137 Å²	137	78 Å²	78	54%	0.537	41%	0.412	S	S	.	.	S	Bend	trans	-140	159.7	-176.3	-50.6	-72.2	0	0	0	110.4	Y489	Y444-Y489 HydrophobicContact CD2-CD1 4.27Å; Y444-Y489 HydrophobicContact CD2-CG 4.31Å
445	D	87.2	Confident	87.9	Confident	102 Å²	102	77.7 Å²	77.7	55%	0.545	40%	0.401	S	S	.	.			trans	-67.2	136.8	168.8	-59	-26.6	0	0	0	109.9	L457 A458	D445-L457 HydrophobicContact CB-CD2 4.45Å; D445-L457 WeakPolarHBondContact OD1-CA 3.08Å; D445-A458 PolarHBondContact OD1-N 2.93Å
446	Y	85.8	Confident	88.2	Confident	18 Å²	18	69.3 Å²	69.3	7%	0.071	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-133.4	130.8	173.6	-167.6	-104.6	0	0	0	110.9	E453 I454 S455 F456 W473 P486 Y489	Y446-E453 VanDerWaalsContact CE1-OE2 3.26Å; Y446-E453 WeakPolarHBondContact CE1-OE2 3.37Å; Y446-E453 VanDerWaalsContact CZ-OE2 3.27Å; Y446-E453 PolarHBondContact OH-OE2 2.85Å; Y446-I454 WeakPolarHBondContact CD1-O 3.09Å; Y446-S455 CarbonylContact O-C 3.59Å; Y446-S455 VanDerWaalsContact O-CA 3.31Å; Y446-S455 WeakPolarHBondContact O-CA 3.42Å; Y446-F456 VanDerWaalsContact CB-CE2 3.44Å; Y446-F456 VanDerWaalsContact CB-CZ 3.43Å; Y446-F456 HydrophobicContact CD1-CE1 4.14Å; Y446-F456 HydrophobicContact CD1-CZ 4.3Å; Y446-F456 HydrophobicContact CG-CE1 4.33Å; Y446-F456 HydrophobicContact CG-CE2 4.49Å; Y446-F456 HydrophobicContact CG-CZ 4.04Å; Y446-F456 PolarHBondContact N-O 3.27Å; Y446-F456 PolarHBondContact O-N 2.6Å; Y446-F456 VanDerWaalsContact O-O 3.08Å; Y446-W473 WeakPolarHBondContact OH-CH2 3.39Å; Y446-P486 HydrophobicContact CD2-CG 4.09Å; Y446-P486 HydrophobicContact CE2-CG 3.57Å; Y446-Y489 AromaticContact CD2-CD1 3.86Å; Y446-Y489 HydrophobicContact CD2-CD1 3.86Å; Y446-Y489 AromaticContact CD2-CE1 3.7Å; Y446-Y489 HydrophobicContact CD2-CE1 3.7Å; Y446-Y489 HydrophobicContact CG-CD1 4.28Å; Y446-Y489 HydrophobicContact CG-CE1 4.48Å
447	V	89.8	Confident	88.5	Confident	113 Å²	113	65.1 Å²	65.1	69%	0.685	35%	0.352	S	S	*	.			trans	-116.7	116.8	175.1	-178.5	0	0	0	0	106.9	Q449	V447-Q449 PolarHBondContact O-N 3.48Å
448	G	85	Confident	88.6	Confident	21 Å²	21	66.9 Å²	66.9	22%	0.216	37%	0.365	C	S	.	.			trans	-61	133	-179	0	0	0	0	0	111.2	E453 S455	G448-E453 VanDerWaalsContact CA-OE2 3.24Å; G448-E453 WeakPolarHBondContact CA-OE2 3.47Å; G448-S455 PolarHBondContact N-OG 3.43Å
449	Q	80.6	Confident	88.6	Confident	155 Å²	155	64.7 Å²	64.7	72%	0.724	36%	0.361	S	S	*	.	S	Bend	trans	-87	-42.5	-177.1	-66.9	175.2	70.8	0	0	111.3	V447 E453	V447-Q449 PolarHBondContact O-N 3.48Å; Q449-E453 PolarHBondContact N-OE2 3.36Å
450	D	83.1	Confident	88.5	Confident	113 Å²	113	60.8 Å²	60.8	60%	0.604	35%	0.346	S	S	*	.	S	Bend	trans	-108.9	169.4	177.4	-74.2	-56.7	0	0	0	113.3	D452 E453	D450-D452 VanDerWaalsContact CB-OD1 3.29Å; D450-D452 WeakPolarHBondContact CB-OD1 3.23Å; D450-D452 PolarHBondContact O-N 2.9Å; D450-E453 PolarHBondContact N-OE1 3.29Å; D450-E453 PolarHBondContact O-N 3.49Å
451	G	82.4	Confident	88.4	Confident	61 Å²	61	64.6 Å²	64.6	63%	0.629	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.6	-171.3	0	0	0	0	0	114.6	R481	G451-R481 PolarHBondContact O-NH2 3.01Å
452	D	87.9	Confident	88.4	Confident	35 Å²	35	59.7 Å²	59.7	19%	0.187	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-0.5	179.1	57.8	-31.3	0	0	0	114.2	N427 A429 T430 D450 G483 L484	N427-D452 WeakPolarHBondContact ND2-CB 3.32Å; A429-D452 HydrophobicContact CB-CB 3.82Å; T430-D452 HydrophobicContact CG2-CB 3.72Å; D450-D452 VanDerWaalsContact CB-OD1 3.29Å; D450-D452 WeakPolarHBondContact CB-OD1 3.23Å; D450-D452 PolarHBondContact O-N 2.9Å; D452-G483 CarbonylContact O-C 3.58Å; D452-G483 WeakPolarHBondContact O-CA 3.41Å; D452-L484 PolarHBondContact O-N 3.48Å
453	E	90.2	Very high	88.5	Confident	13 Å²	13	62.2 Å²	62.2	6%	0.061	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-93.3	149.4	173.7	-64.3	-179.8	-144.9	0	0	112.8	Y446 G448 Q449 D450 W473 R481 L484	Y446-E453 VanDerWaalsContact CE1-OE2 3.26Å; Y446-E453 WeakPolarHBondContact CE1-OE2 3.37Å; Y446-E453 VanDerWaalsContact CZ-OE2 3.27Å; Y446-E453 PolarHBondContact OH-OE2 2.85Å; G448-E453 VanDerWaalsContact CA-OE2 3.24Å; G448-E453 WeakPolarHBondContact CA-OE2 3.47Å; Q449-E453 PolarHBondContact N-OE2 3.36Å; D450-E453 PolarHBondContact N-OE1 3.29Å; D450-E453 PolarHBondContact O-N 3.49Å; E453-W473 HydrophobicContact CG-CH2 4.39Å; E453-W473 HydrophobicContact CG-CZ3 4.06Å; E453-R481 PolarHBondContact O-NH2 3.41Å; E453-L484 WeakPolarHBondContact CA-O 3.47Å
454	I	90	Very high	88.8	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	35%	0.352	C	S	.	.			trans	-95.8	151	169.8	55.9	169.2	0	0	0	111.8	Y446 F456 F462 K478 R481 L484 Y485	Y446-I454 WeakPolarHBondContact CD1-O 3.09Å; I454-F456 HydrophobicContact CD1-CD1 4.33Å; I454-F456 HydrophobicContact CD1-CE1 4.47Å; I454-F456 HydrophobicContact CG1-CD1 4.32Å; I454-F456 HydrophobicContact CG1-CE1 4.37Å; I454-F462 HydrophobicContact CD1-CD2 4.07Å; I454-F462 HydrophobicContact CD1-CE2 3.74Å; I454-F462 HydrophobicContact CD1-CZ 4.26Å; I454-K478 HydrophobicContact CD1-CB 4.42Å; I454-R481 HydrophobicContact CG2-CG 4.25Å; I454-L484 PolarHBondContact N-O 3.14Å; I454-Y485 HydrophobicContact CD1-CD1 3.8Å; I454-Y485 HydrophobicContact CD1-CG 4.33Å; I454-Y485 HydrophobicContact CG1-CD1 4.21Å; I454-Y485 HydrophobicContact CG1-CG 4.47Å
455	S	91.1	Very high	89	Confident	58 Å²	58	55.9 Å²	55.9	41%	0.406	34%	0.337	S	S	.	.			trans	-114.2	140	175.9	-54.7	0	0	0	0	111.3	Y446 G448	Y446-S455 CarbonylContact O-C 3.59Å; Y446-S455 VanDerWaalsContact O-CA 3.31Å; Y446-S455 WeakPolarHBondContact O-CA 3.42Å; G448-S455 PolarHBondContact N-OG 3.43Å
456	F	90.7	Very high	89.1	Confident	6 Å²	6	55.2 Å²	55.2	3%	0.026	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-152.8	159.4	-178	50.4	-99.6	0	0	0	112.1	A442 Y446 I454 D460 F462 K478 Y485 Y489 V490	A442-F456 HydrophobicContact CB-CD2 3.46Å; A442-F456 VanDerWaalsContact CB-CD2 3.46Å; A442-F456 HydrophobicContact CB-CE2 3.85Å; A442-F456 HydrophobicContact CB-CG 4.35Å; Y446-F456 VanDerWaalsContact CB-CE2 3.44Å; Y446-F456 VanDerWaalsContact CB-CZ 3.43Å; Y446-F456 HydrophobicContact CD1-CE1 4.14Å; Y446-F456 HydrophobicContact CD1-CZ 4.3Å; Y446-F456 HydrophobicContact CG-CE1 4.33Å; Y446-F456 HydrophobicContact CG-CE2 4.49Å; Y446-F456 HydrophobicContact CG-CZ 4.04Å; Y446-F456 PolarHBondContact N-O 3.27Å; Y446-F456 PolarHBondContact O-N 2.6Å; Y446-F456 VanDerWaalsContact O-O 3.08Å; I454-F456 HydrophobicContact CD1-CD1 4.33Å; I454-F456 HydrophobicContact CD1-CE1 4.47Å; I454-F456 HydrophobicContact CG1-CD1 4.32Å; I454-F456 HydrophobicContact CG1-CE1 4.37Å; F456-D460 HydrophobicContact CB-CB 4.23Å; F456-F462 HydrophobicContact CB-CE1 4.23Å; F456-F462 AromaticContact CD1-CE1 3.67Å; F456-F462 HydrophobicContact CD1-CE1 3.67Å; F456-F462 AromaticContact CD1-CZ 3.72Å; F456-F462 HydrophobicContact CD1-CZ 3.72Å; F456-F462 HydrophobicContact CD2-CE1 4.13Å; F456-F462 AromaticContact CE1-CE1 3.97Å; F456-F462 HydrophobicContact CE1-CE1 3.97Å; F456-F462 AromaticContact CE1-CZ 3.62Å; F456-F462 HydrophobicContact CE1-CZ 3.62Å; F456-F462 HydrophobicContact CE2-CE1 4.38Å; F456-F462 AromaticContact CG-CE1 3.75Å; F456-F462 HydrophobicContact CG-CE1 3.75Å; F456-F462 HydrophobicContact CG-CZ 4.26Å; F456-F462 HydrophobicContact CZ-CE1 4.31Å; F456-F462 HydrophobicContact CZ-CZ 4.07Å; F456-K478 HydrophobicContact CB-CD 3.74Å; F456-Y485 HydrophobicContact CE1-CD2 4.28Å; F456-Y485 HydrophobicContact CE1-CG 4.07Å; F456-Y485 HydrophobicContact CZ-CD2 4.29Å; F456-Y485 HydrophobicContact CZ-CG 4.5Å; F456-Y489 HydrophobicContact CE2-CD1 4.49Å; F456-V490 HydrophobicContact CZ-CG1 4.4Å
457	L	89.2	Confident	89.2	Confident	106 Å²	106	61 Å²	61	56%	0.555	36%	0.358	S	S	*	.			trans	-103.3	154.7	175.5	-61.3	175.9	0	0	0	111	A442 D445 G459 D460	A442-L457 WeakPolarHBondContact CB-O 3.45Å; D445-L457 HydrophobicContact CB-CD2 4.45Å; D445-L457 WeakPolarHBondContact OD1-CA 3.08Å; L457-G459 PolarHBondContact O-N 3.38Å; L457-D460 PolarHBondContact N-OD2 2.8Å; L457-D460 WeakPolarHBondContact O-CB 3.41Å; L457-D460 PolarHBondContact O-N 3.27Å
458	A	88.9	Confident	89.1	Confident	55 Å²	55	58.6 Å²	58.6	46%	0.455	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	126.4	175.3	0	0	0	0	0	110.8	D445	D445-A458 PolarHBondContact OD1-N 2.93Å
459	G	91	Very high	89.1	Confident	45 Å²	45	61.1 Å²	61.1	46%	0.464	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-13.7	-173.4	0	0	0	0	0	115.3	A442 L457	A442-G459 PolarHBondContact O-N 3.14Å; L457-G459 PolarHBondContact O-N 3.38Å
460	D	92.1	Very high	89.3	Confident	48 Å²	48	62.3 Å²	62.3	26%	0.257	36%	0.364	S	S	.	.			trans	-58.2	142.3	172.3	-78.7	-11.7	0	0	0	110.4	R441 A442 F456 L457 K478	R441-D460 CarbonylContact C-O 3.57Å; R441-D460 WeakPolarHBondContact CA-O 3.48Å; A442-D460 HydrophobicContact CB-CB 4.41Å; A442-D460 PolarHBondContact N-O 2.96Å; F456-D460 HydrophobicContact CB-CB 4.23Å; L457-D460 PolarHBondContact N-OD2 2.8Å; L457-D460 WeakPolarHBondContact O-CB 3.41Å; L457-D460 PolarHBondContact O-N 3.27Å; D460-K478 WeakPolarHBondContact OD2-CE 3.23Å; D460-K478 IonicContact OD2-NZ 3.93Å; D460-K478 PolarHBondContact OD2-NZ 3.06Å
461	T	92.6	Very high	89.3	Confident	84 Å²	84	64.6 Å²	64.6	52%	0.515	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.3	175.6	-56.7	0	0	0	0	109.5	K439 V440	K439-T461 HydrophobicContact CB-CG2 4.45Å; V440-T461 VanDerWaalsContact O-CA 3.31Å; V440-T461 WeakPolarHBondContact O-CA 3.37Å
462	F	93.1	Very high	89.4	Confident	9 Å²	9	63.2 Å²	63.2	4%	0.039	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	-179.1	-178.2	64.1	-92.3	0	0	0	111.5	K439 V440 A442 I454 F456 K478 Y485 V490	K439-F462 WeakPolarHBondContact CA-O 3.49Å; V440-F462 HydrophobicContact CG2-CD1 4.39Å; V440-F462 HydrophobicContact CG2-CD2 3.79Å; V440-F462 HydrophobicContact CG2-CE1 4.33Å; V440-F462 HydrophobicContact CG2-CE2 3.71Å; V440-F462 HydrophobicContact CG2-CG 4.16Å; V440-F462 HydrophobicContact CG2-CZ 4.02Å; V440-F462 PolarHBondContact N-O 3.45Å; V440-F462 PolarHBondContact O-N 3.41Å; A442-F462 HydrophobicContact CB-CE1 4.34Å; I454-F462 HydrophobicContact CD1-CD2 4.07Å; I454-F462 HydrophobicContact CD1-CE2 3.74Å; I454-F462 HydrophobicContact CD1-CZ 4.26Å; F456-F462 HydrophobicContact CB-CE1 4.23Å; F456-F462 AromaticContact CD1-CE1 3.67Å; F456-F462 HydrophobicContact CD1-CE1 3.67Å; F456-F462 AromaticContact CD1-CZ 3.72Å; F456-F462 HydrophobicContact CD1-CZ 3.72Å; F456-F462 HydrophobicContact CD2-CE1 4.13Å; F456-F462 AromaticContact CE1-CE1 3.97Å; F456-F462 HydrophobicContact CE1-CE1 3.97Å; F456-F462 AromaticContact CE1-CZ 3.62Å; F456-F462 HydrophobicContact CE1-CZ 3.62Å; F456-F462 HydrophobicContact CE2-CE1 4.38Å; F456-F462 AromaticContact CG-CE1 3.75Å; F456-F462 HydrophobicContact CG-CE1 3.75Å; F456-F462 HydrophobicContact CG-CZ 4.26Å; F456-F462 HydrophobicContact CZ-CE1 4.31Å; F456-F462 HydrophobicContact CZ-CZ 4.07Å; F462-K478 HydrophobicContact CB-CB 3.82Å; F462-K478 HydrophobicContact CB-CD 4.28Å; F462-K478 HydrophobicContact CB-CG 3.99Å; F462-K478 HydrophobicContact CD1-CD 4.34Å; F462-K478 HydrophobicContact CG-CB 4.32Å; F462-K478 HydrophobicContact CG-CD 4.47Å; F462-Y485 AromaticContact CE2-CD1 3.94Å; F462-Y485 HydrophobicContact CE2-CD1 3.94Å; F462-Y485 HydrophobicContact CE2-CD2 4.38Å; F462-Y485 AromaticContact CE2-CE1 3.68Å; F462-Y485 HydrophobicContact CE2-CE1 3.68Å; F462-Y485 HydrophobicContact CE2-CE2 4.16Å; F462-Y485 HydrophobicContact CE2-CG 4.28Å; F462-Y485 AromaticContact CE2-CZ 3.79Å; F462-Y485 HydrophobicContact CZ-CD1 4.39Å; F462-Y485 HydrophobicContact CZ-CD2 4.13Å; F462-Y485 HydrophobicContact CZ-CE1 4.37Å; F462-Y485 HydrophobicContact CZ-CE2 4.12Å; F462-Y485 HydrophobicContact CZ-CG 4.27Å; F462-V490 HydrophobicContact CE1-CG1 3.89Å; F462-V490 HydrophobicContact CE2-CG1 4.37Å; F462-V490 HydrophobicContact CZ-CG1 3.46Å; F462-V490 VanDerWaalsContact CZ-CG1 3.46Å
463	E	94	Very high	89.5	Confident	56 Å²	56	64.4 Å²	64.4	26%	0.262	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.7	-174.2	-69.3	177	179.4	0	0	111.4	G476 R477	E463-G476 CarbonylContact O-C 3.56Å; E463-G476 WeakPolarHBondContact O-CA 3.29Å; E463-R477 HydrophobicContact CB-CB 4.28Å; E463-R477 PolarHBondContact N-O 3.42Å; E463-R477 PolarHBondContact O-N 2.99Å; E463-R477 IonicContact OE2-CZ 3.77Å; E463-R477 IonicContact OE2-NH1 3.24Å; E463-R477 PolarHBondContact OE2-NH1 2.89Å
464	K	93	Very high	89.6	Confident	33 Å²	33	64 Å²	64	14%	0.143	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	125.3	165.5	178.1	-174.5	179.1	-166.2	0	108.8	G437 V438 V440 E466 E467 Y485	G437-K464 CarbonylContact C-O 3.57Å; G437-K464 WeakPolarHBondContact CA-O 3.47Å; V438-K464 PolarHBondContact N-O 3.36Å; V438-K464 PolarHBondContact O-N 3.02Å; V440-K464 HydrophobicContact CG1-CB 3.85Å; V440-K464 HydrophobicContact CG1-CD 4.45Å; V440-K464 HydrophobicContact CG2-CB 4.4Å; K464-E466 WeakPolarHBondContact CE-O 3.39Å; K464-E466 WeakPolarHBondContact CG-O 3.33Å; K464-E467 WeakPolarHBondContact CE-OE1 3.4Å; K464-E467 IonicContact NZ-OE1 3.47Å; K464-E467 PolarHBondContact NZ-OE1 3.46Å; K464-E467 IonicContact NZ-OE2 2.77Å; K464-E467 PolarHBondContact NZ-OE2 3.03Å; K464-Y485 WeakPolarHBondContact CB-OH 3.32Å; K464-Y485 WeakPolarHBondContact CG-OH 3.49Å
465	L	90.4	Very high	89.7	Confident	41 Å²	41	64.2 Å²	64.2	22%	0.215	36%	0.358	C	S	.	.			trans	-97.1	-40	-179.8	-60.8	-177.8	0	0	0	112.3	K475 R477 V482	L465-K475 PolarHBondContact N-O 3.38Å; L465-R477 HydrophobicContact CD1-CB 4.19Å; L465-R477 HydrophobicContact CD2-CB 4.35Å; L465-R477 HydrophobicContact CG-CB 4.34Å; L465-V482 HydrophobicContact CD1-CG1 3.87Å; L465-V482 HydrophobicContact CD1-CG2 3.91Å
466	E	89.5	Confident	89.8	Confident	87 Å²	87	61.5 Å²	61.5	41%	0.407	34%	0.339	S	S	.	.	S	Bend	trans	-129.9	158.2	-175.3	-64.3	172.7	-161.3	0	0	111.2	K464 K475	K464-E466 WeakPolarHBondContact CE-O 3.39Å; K464-E466 WeakPolarHBondContact CG-O 3.33Å; E466-K475 HydrophobicContact CB-CB 3.95Å; E466-K475 HydrophobicContact CG-CB 4.17Å; E466-K475 HydrophobicContact CG-CD 4.07Å; E466-K475 PolarHBondContact N-O 3Å; E466-K475 WeakPolarHBondContact OE1-CD 3.44Å; E466-K475 IonicContact OE1-NZ 3.57Å; E466-K475 PolarHBondContact OE1-NZ 3.43Å
467	E	88.2	Confident	89.9	Confident	141 Å²	141	63 Å²	63	66%	0.659	34%	0.344	S	S	*	.			trans	-72.8	161.8	174.4	-73.2	-58.1	135.4	0	0	111.7	K464 D469	K464-E467 WeakPolarHBondContact CE-OE1 3.4Å; K464-E467 IonicContact NZ-OE1 3.47Å; K464-E467 PolarHBondContact NZ-OE1 3.46Å; K464-E467 IonicContact NZ-OE2 2.77Å; K464-E467 PolarHBondContact NZ-OE2 3.03Å; E467-D469 PolarHBondContact O-N 3.43Å
468	P	88.9	Confident	90	Very high	61 Å²	61	59.6 Å²	59.6	40%	0.396	33%	0.325	S	S	.	.			trans	-59.2	137.4	178.6	-17.4	26.8	0	0	0	112.2	W473 A487	P468-W473 CarbonylContact C-O 3.53Å; P468-W473 VanDerWaalsContact CA-O 3.29Å; P468-W473 WeakPolarHBondContact CA-O 3.28Å; P468-A487 HydrophobicContact CB-CB 3.98Å; P468-A487 HydrophobicContact CG-CB 3.8Å
469	D	85.2	Confident	89.9	Confident	75 Å²	75	64 Å²	64	40%	0.401	34%	0.341	S	S	.	.			trans	-74.2	178.5	168.6	76.5	-2.4	0	0	0	112.6	E467 Q471 G472 W473	E467-D469 PolarHBondContact O-N 3.43Å; D469-Q471 PolarHBondContact O-N 3.33Å; D469-Q471 VanDerWaalsContact O-N 3.11Å; D469-Q471 WeakPolarHBondContact OD1-CA 3.45Å; D469-Q471 WeakPolarHBondContact OD1-CB 3.42Å; D469-Q471 PolarHBondContact OD1-N 3.25Å; D469-G472 PolarHBondContact O-N 3.12Å; D469-G472 VanDerWaalsContact O-N 3.07Å; D469-G472 PolarHBondContact OD1-N 3.34Å; D469-W473 PolarHBondContact N-O 2.78Å; D469-W473 PolarHBondContact OD1-N 3.15Å
470	D	83.6	Confident	89.6	Confident	179 Å²	179	65 Å²	65	96%	0.957	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.5	177.9	-72.1	-26.5	0	0	0	113.8
471	Q	82.8	Confident	89.5	Confident	162 Å²	162	68.7 Å²	68.7	76%	0.757	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-9.6	177.1	-63.2	-170.4	10	0	0	113	D469	D469-Q471 PolarHBondContact O-N 3.33Å; D469-Q471 VanDerWaalsContact O-N 3.11Å; D469-Q471 WeakPolarHBondContact OD1-CA 3.45Å; D469-Q471 WeakPolarHBondContact OD1-CB 3.42Å; D469-Q471 PolarHBondContact OD1-N 3.25Å
472	G	85.1	Confident	89.5	Confident	31 Å²	31	65 Å²	65	32%	0.32	34%	0.34	S	S	.	.	S	Bend	trans	93.1	17.4	179.4	0	0	0	0	0	115	D469 A487	D469-G472 PolarHBondContact O-N 3.12Å; D469-G472 VanDerWaalsContact O-N 3.07Å; D469-G472 PolarHBondContact OD1-N 3.34Å; G472-A487 VanDerWaalsContact O-CB 3.25Å; G472-A487 WeakPolarHBondContact O-CB 3.3Å; G472-A487 PolarHBondContact O-N 3.3Å
473	W	91	Very high	89.4	Confident	61 Å²	61	64.6 Å²	64.6	23%	0.231	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	137.9	175.1	-64.1	92.3	0	0	0	111.7	Y446 E453 P468 D469 L484 Y485 P486	Y446-W473 WeakPolarHBondContact OH-CH2 3.39Å; E453-W473 HydrophobicContact CG-CH2 4.39Å; E453-W473 HydrophobicContact CG-CZ3 4.06Å; P468-W473 CarbonylContact C-O 3.53Å; P468-W473 VanDerWaalsContact CA-O 3.29Å; P468-W473 WeakPolarHBondContact CA-O 3.28Å; D469-W473 PolarHBondContact N-O 2.78Å; D469-W473 PolarHBondContact OD1-N 3.15Å; W473-L484 HydrophobicContact CB-CD2 4.4Å; W473-L484 HydrophobicContact CE3-CB 3.9Å; W473-L484 HydrophobicContact CZ3-CB 4.49Å; W473-Y485 WeakPolarHBondContact CA-O 3.42Å; W473-Y485 VanDerWaalsContact CE3-C 3.42Å; W473-P486 HydrophobicContact CE3-CG 4.3Å; W473-P486 HydrophobicContact CH2-CG 4.33Å; W473-P486 HydrophobicContact CZ3-CG 3.97Å
474	C	91.2	Very high	89.2	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.02	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	147.7	170.7	-76.5	0	0	0	0	109.9	L484 Y485 A487	C474-L484 CarbonylContact O-C 3.53Å; C474-L484 WeakPolarHBondContact O-CA 3.43Å; C474-Y485 HydrophobicContact CB-CD1 4.13Å; C474-Y485 HydrophobicContact CB-CD2 4.4Å; C474-Y485 HydrophobicContact CB-CE1 3.49Å; C474-Y485 VanDerWaalsContact CB-CE1 3.49Å; C474-Y485 HydrophobicContact CB-CE2 3.8Å; C474-Y485 WeakPolarHBondContact CB-OH 3.42Å; C474-Y485 PolarHBondContact N-O 3.4Å; C474-Y485 WeakPolarHBondContact O-CD1 3.39Å; C474-Y485 WeakPolarHBondContact O-CE1 3.45Å; C474-Y485 PolarHBondContact O-N 3.48Å; C474-A487 VanDerWaalsContact SG-CB 3.51Å
475	K	92.1	Very high	89.2	Confident	8 Å²	8	62.2 Å²	62.2	4%	0.035	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	135.9	166.7	-163.1	-179.1	-175.6	170.9	0	110.5	D428 Y431 L465 E466 V482 L484	D428-K475 WeakPolarHBondContact O-CE 3.5Å; D428-K475 PolarHBondContact O-NZ 3.37Å; D428-K475 IonicContact OD1-NZ 2.76Å; D428-K475 PolarHBondContact OD1-NZ 2.96Å; D428-K475 VanDerWaalsContact OD1-NZ 3.13Å; Y431-K475 WeakPolarHBondContact O-CE 3.49Å; Y431-K475 PolarHBondContact O-NZ 2.87Å; L465-K475 PolarHBondContact N-O 3.38Å; E466-K475 HydrophobicContact CB-CB 3.95Å; E466-K475 HydrophobicContact CG-CB 4.17Å; E466-K475 HydrophobicContact CG-CD 4.07Å; E466-K475 PolarHBondContact N-O 3Å; E466-K475 WeakPolarHBondContact OE1-CD 3.44Å; E466-K475 IonicContact OE1-NZ 3.57Å; E466-K475 PolarHBondContact OE1-NZ 3.43Å; K475-V482 HydrophobicContact CD-CG1 4.36Å; K475-V482 HydrophobicContact CG-CG1 3.93Å; K475-L484 HydrophobicContact CB-CD2 4.35Å
476	G	93	Very high	89.2	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	159.1	-179.8	0	0	0	0	0	114.1	E463 V482 G483	E463-G476 CarbonylContact O-C 3.56Å; E463-G476 WeakPolarHBondContact O-CA 3.29Å; G476-V482 VanDerWaalsContact O-CA 3.3Å; G476-V482 WeakPolarHBondContact O-CA 3.47Å; G476-G483 PolarHBondContact N-O 3.11Å; G476-G483 PolarHBondContact O-N 3.1Å
477	R	94.1	Very high	89.3	Confident	38 Å²	38	58.1 Å²	58.1	14%	0.143	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.6	177.4	-169.8	-168.8	-66.8	125.9	-2.4	109.9	D432 R435 E463 L465 R481 V482	D432-R477 IonicContact OD1-CZ 3.25Å; D432-R477 IonicContact OD1-NE 3.2Å; D432-R477 PolarHBondContact OD1-NE 3.09Å; D432-R477 IonicContact OD1-NH2 2.88Å; D432-R477 PolarHBondContact OD1-NH2 2.87Å; D432-R477 IonicContact OD2-CZ 2.76Å; D432-R477 IonicContact OD2-NE 3.25Å; D432-R477 PolarHBondContact OD2-NE 3.06Å; D432-R477 IonicContact OD2-NH2 2.7Å; R435-R477 PolarHBondContact O-NH1 3.42Å; R435-R477 PolarHBondContact O-NH2 3.11Å; E463-R477 HydrophobicContact CB-CB 4.28Å; E463-R477 PolarHBondContact N-O 3.42Å; E463-R477 PolarHBondContact O-N 2.99Å; E463-R477 IonicContact OE2-CZ 3.77Å; E463-R477 IonicContact OE2-NH1 3.24Å; E463-R477 PolarHBondContact OE2-NH1 2.89Å; L465-R477 HydrophobicContact CD1-CB 4.19Å; L465-R477 HydrophobicContact CD2-CB 4.35Å; L465-R477 HydrophobicContact CG-CB 4.34Å; R477-R481 WeakPolarHBondContact CA-O 3.25Å; R477-V482 HydrophobicContact CB-CG2 3.91Å; R477-V482 HydrophobicContact CG-CG2 3.82Å
478	K	90.6	Very high	89.3	Confident	34 Å²	34	56.8 Å²	56.8	15%	0.148	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	129.5	174.2	-176.2	175	-175.3	-69.4	0	110.4	I454 F456 D460 F462 G480 R481	I454-K478 HydrophobicContact CD1-CB 4.42Å; F456-K478 HydrophobicContact CB-CD 3.74Å; D460-K478 WeakPolarHBondContact OD2-CE 3.23Å; D460-K478 IonicContact OD2-NZ 3.93Å; D460-K478 PolarHBondContact OD2-NZ 3.06Å; F462-K478 HydrophobicContact CB-CB 3.82Å; F462-K478 HydrophobicContact CB-CD 4.28Å; F462-K478 HydrophobicContact CB-CG 3.99Å; F462-K478 HydrophobicContact CD1-CD 4.34Å; F462-K478 HydrophobicContact CG-CB 4.32Å; F462-K478 HydrophobicContact CG-CD 4.47Å; K478-G480 PolarHBondContact O-N 2.75Å; K478-R481 PolarHBondContact N-O 3.44Å; K478-R481 PolarHBondContact O-N 2.94Å
479	D	87.1	Confident	89.4	Confident	147 Å²	147	57.4 Å²	57.4	79%	0.786	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	32.2	177.2	-54.9	-42	0	0	0	114.4
480	G	85.2	Confident	89.7	Confident	67 Å²	67	54.7 Å²	54.7	69%	0.691	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	0.1	-178.1	0	0	0	0	0	115.7	K478	K478-G480 PolarHBondContact O-N 2.75Å
481	R	89.2	Confident	90.1	Very high	125 Å²	125	49.2 Å²	49.2	47%	0.472	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.8	171.9	-173.1	174.3	178.4	179.2	-4.9	110.3	G451 E453 I454 R477 K478	G451-R481 PolarHBondContact O-NH2 3.01Å; E453-R481 PolarHBondContact O-NH2 3.41Å; I454-R481 HydrophobicContact CG2-CG 4.25Å; R477-R481 WeakPolarHBondContact CA-O 3.25Å; K478-R481 PolarHBondContact N-O 3.44Å; K478-R481 PolarHBondContact O-N 2.94Å
482	V	92.4	Very high	90.3	Very high	8 Å²	8	45.8 Å²	45.8	5%	0.048	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	142.7	169.4	175.4	0	0	0	0	109.9	D432 L465 K475 G476 R477	D432-V482 HydrophobicContact CB-CB 4.37Å; D432-V482 HydrophobicContact CB-CG2 3.63Å; D432-V482 WeakPolarHBondContact OD2-CG2 3.48Å; L465-V482 HydrophobicContact CD1-CG1 3.87Å; L465-V482 HydrophobicContact CD1-CG2 3.91Å; K475-V482 HydrophobicContact CD-CG1 4.36Å; K475-V482 HydrophobicContact CG-CG1 3.93Å; G476-V482 VanDerWaalsContact O-CA 3.3Å; G476-V482 WeakPolarHBondContact O-CA 3.47Å; R477-V482 HydrophobicContact CB-CG2 3.91Å; R477-V482 HydrophobicContact CG-CG2 3.82Å
483	G	90.2	Very high	90.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.7	178.2	178.3	0	0	0	0	0	113.1	A429 D452 G476	A429-G483 VanDerWaalsContact O-CA 3.27Å; A429-G483 WeakPolarHBondContact O-CA 3.37Å; D452-G483 CarbonylContact O-C 3.58Å; D452-G483 WeakPolarHBondContact O-CA 3.41Å; G476-G483 PolarHBondContact N-O 3.11Å; G476-G483 PolarHBondContact O-N 3.1Å
484	L	90.9	Very high	89.2	Confident	39 Å²	39	51.6 Å²	51.6	20%	0.204	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	152.8	-179.5	-63	174.6	0	0	0	112.8	A429 D452 E453 I454 W473 C474 K475	A429-L484 HydrophobicContact CB-CD1 3.84Å; A429-L484 HydrophobicContact CB-CD2 4.33Å; A429-L484 HydrophobicContact CB-CG 3.75Å; D452-L484 PolarHBondContact O-N 3.48Å; E453-L484 WeakPolarHBondContact CA-O 3.47Å; I454-L484 PolarHBondContact N-O 3.14Å; W473-L484 HydrophobicContact CB-CD2 4.4Å; W473-L484 HydrophobicContact CE3-CB 3.9Å; W473-L484 HydrophobicContact CZ3-CB 4.49Å; C474-L484 CarbonylContact O-C 3.53Å; C474-L484 WeakPolarHBondContact O-CA 3.43Å; K475-L484 HydrophobicContact CB-CD2 4.35Å
485	Y	92.5	Very high	87.1	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	155.4	169.4	67.3	-82.7	0	0	0	111.8	I454 F456 F462 K464 W473 C474 A487 V490	I454-Y485 HydrophobicContact CD1-CD1 3.8Å; I454-Y485 HydrophobicContact CD1-CG 4.33Å; I454-Y485 HydrophobicContact CG1-CD1 4.21Å; I454-Y485 HydrophobicContact CG1-CG 4.47Å; F456-Y485 HydrophobicContact CE1-CD2 4.28Å; F456-Y485 HydrophobicContact CE1-CG 4.07Å; F456-Y485 HydrophobicContact CZ-CD2 4.29Å; F456-Y485 HydrophobicContact CZ-CG 4.5Å; F462-Y485 AromaticContact CE2-CD1 3.94Å; F462-Y485 HydrophobicContact CE2-CD1 3.94Å; F462-Y485 HydrophobicContact CE2-CD2 4.38Å; F462-Y485 AromaticContact CE2-CE1 3.68Å; F462-Y485 HydrophobicContact CE2-CE1 3.68Å; F462-Y485 HydrophobicContact CE2-CE2 4.16Å; F462-Y485 HydrophobicContact CE2-CG 4.28Å; F462-Y485 AromaticContact CE2-CZ 3.79Å; F462-Y485 HydrophobicContact CZ-CD1 4.39Å; F462-Y485 HydrophobicContact CZ-CD2 4.13Å; F462-Y485 HydrophobicContact CZ-CE1 4.37Å; F462-Y485 HydrophobicContact CZ-CE2 4.12Å; F462-Y485 HydrophobicContact CZ-CG 4.27Å; K464-Y485 WeakPolarHBondContact CB-OH 3.32Å; K464-Y485 WeakPolarHBondContact CG-OH 3.49Å; W473-Y485 WeakPolarHBondContact CA-O 3.42Å; W473-Y485 VanDerWaalsContact CE3-C 3.42Å; C474-Y485 HydrophobicContact CB-CD1 4.13Å; C474-Y485 HydrophobicContact CB-CD2 4.4Å; C474-Y485 HydrophobicContact CB-CE1 3.49Å; C474-Y485 VanDerWaalsContact CB-CE1 3.49Å; C474-Y485 HydrophobicContact CB-CE2 3.8Å; C474-Y485 WeakPolarHBondContact CB-OH 3.42Å; C474-Y485 PolarHBondContact N-O 3.4Å; C474-Y485 WeakPolarHBondContact O-CD1 3.39Å; C474-Y485 WeakPolarHBondContact O-CE1 3.45Å; C474-Y485 PolarHBondContact O-N 3.48Å; Y485-A487 PolarHBondContact O-N 2.95Å; Y485-V490 HydrophobicContact CD2-CG1 3.91Å; Y485-V490 HydrophobicContact CE2-CB 4.26Å; Y485-V490 HydrophobicContact CE2-CG1 3.53Å; Y485-V490 HydrophobicContact CE2-CG2 3.65Å
486	P	90.7	Very high	86.9	Confident	16 Å²	16	67.9 Å²	67.9	10%	0.104	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	126.2	178.6	-19.4	32.4	0	0	0	111.8	Y446 W473 N488 Y489	Y446-P486 HydrophobicContact CD2-CG 4.09Å; Y446-P486 HydrophobicContact CE2-CG 3.57Å; W473-P486 HydrophobicContact CE3-CG 4.3Å; W473-P486 HydrophobicContact CH2-CG 4.33Å; W473-P486 HydrophobicContact CZ3-CG 3.97Å; P486-N488 WeakPolarHBondContact CB-OD1 3.16Å; P486-N488 PolarHBondContact O-N 3.24Å; P486-N488 VanDerWaalsContact O-N 3.09Å; P486-Y489 HydrophobicContact CB-CD2 3.71Å; P486-Y489 HydrophobicContact CB-CE2 4.2Å; P486-Y489 HydrophobicContact CB-CG 4.35Å; P486-Y489 HydrophobicContact CG-CD2 4.14Å; P486-Y489 HydrophobicContact CG-CE2 4.38Å; P486-Y489 WeakPolarHBondContact O-CB 3.13Å; P486-Y489 PolarHBondContact O-N 3.15Å
487	A	90.6	Very high	86.6	Confident	26 Å²	26	71.4 Å²	71.4	22%	0.215	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-59.2	-28.1	-173.7	0	0	0	0	0	114	P468 G472 C474 Y485 Y489	P468-A487 HydrophobicContact CB-CB 3.98Å; P468-A487 HydrophobicContact CG-CB 3.8Å; G472-A487 VanDerWaalsContact O-CB 3.25Å; G472-A487 WeakPolarHBondContact O-CB 3.3Å; G472-A487 PolarHBondContact O-N 3.3Å; C474-A487 VanDerWaalsContact SG-CB 3.51Å; Y485-A487 PolarHBondContact O-N 2.95Å; A487-Y489 VanDerWaalsContact C-N 3.31Å; A487-Y489 PolarHBondContact O-N 3.17Å
488	N	89.1	Confident	86.1	Confident	113 Å²	113	73.3 Å²	73.3	60%	0.604	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-80.9	-2.4	178.9	64.6	-33.9	0	0	0	114.5	P486 V490	P486-N488 WeakPolarHBondContact CB-OD1 3.16Å; P486-N488 PolarHBondContact O-N 3.24Å; P486-N488 VanDerWaalsContact O-N 3.09Å; N488-V490 VanDerWaalsContact C-N 3.35Å
489	Y	90.7	Very high	85.9	Confident	73 Å²	73	75.6 Å²	75.6	29%	0.286	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-88.6	-1.3	176.3	-85	-121.9	0	0	0	113.3	L443 Y444 Y446 F456 P486 A487	L443-Y489 PolarHBondContact N-O 2.82Å; Y444-Y489 HydrophobicContact CD2-CD1 4.27Å; Y444-Y489 HydrophobicContact CD2-CG 4.31Å; Y446-Y489 AromaticContact CD2-CD1 3.86Å; Y446-Y489 HydrophobicContact CD2-CD1 3.86Å; Y446-Y489 AromaticContact CD2-CE1 3.7Å; Y446-Y489 HydrophobicContact CD2-CE1 3.7Å; Y446-Y489 HydrophobicContact CG-CD1 4.28Å; Y446-Y489 HydrophobicContact CG-CE1 4.48Å; F456-Y489 HydrophobicContact CE2-CD1 4.49Å; P486-Y489 HydrophobicContact CB-CD2 3.71Å; P486-Y489 HydrophobicContact CB-CE2 4.2Å; P486-Y489 HydrophobicContact CB-CG 4.35Å; P486-Y489 HydrophobicContact CG-CD2 4.14Å; P486-Y489 HydrophobicContact CG-CE2 4.38Å; P486-Y489 WeakPolarHBondContact O-CB 3.13Å; P486-Y489 PolarHBondContact O-N 3.15Å; A487-Y489 VanDerWaalsContact C-N 3.31Å; A487-Y489 PolarHBondContact O-N 3.17Å
490	V	91.9	Very high	85.8	Confident	19 Å²	19	71.1 Å²	71.1	12%	0.115	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	160	-178.8	-51.4	0	0	0	0	112.7	V440 R441 F456 F462 Y485 N488	V440-V490 HydrophobicContact CB-CB 4Å; V440-V490 HydrophobicContact CB-CG2 3.95Å; V440-V490 HydrophobicContact CG1-CG2 4.12Å; V440-V490 HydrophobicContact CG2-CB 4.17Å; V440-V490 HydrophobicContact CG2-CG1 4.2Å; V440-V490 HydrophobicContact CG2-CG2 4.18Å; R441-V490 CarbonylContact O-C 3.44Å; R441-V490 WeakPolarHBondContact O-CA 3.4Å; R441-V490 WeakPolarHBondContact O-CB 3.49Å; F456-V490 HydrophobicContact CZ-CG1 4.4Å; F462-V490 HydrophobicContact CE1-CG1 3.89Å; F462-V490 HydrophobicContact CE2-CG1 4.37Å; F462-V490 HydrophobicContact CZ-CG1 3.46Å; F462-V490 VanDerWaalsContact CZ-CG1 3.46Å; Y485-V490 HydrophobicContact CD2-CG1 3.91Å; Y485-V490 HydrophobicContact CE2-CB 4.26Å; Y485-V490 HydrophobicContact CE2-CG1 3.53Å; Y485-V490 HydrophobicContact CE2-CG2 3.65Å; N488-V490 VanDerWaalsContact C-N 3.35Å
491	E	91.2	Very high	85.8	Confident	64 Å²	64	71.4 Å²	71.4	30%	0.299	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	147.8	166.2	65.4	-173.4	148.8	0	0	110.9	V440 R441 L443 C493	V440-E491 CarbonylContact C-O 3.59Å; V440-E491 VanDerWaalsContact CA-O 3.26Å; V440-E491 WeakPolarHBondContact CA-O 3.28Å; V440-E491 WeakPolarHBondContact CB-O 3.42Å; R441-E491 HydrophobicContact CB-CG 4.14Å; R441-E491 IonicContact CZ-OE1 2.67Å; R441-E491 PolarHBondContact N-O 2.99Å; R441-E491 IonicContact NE-OE1 2.68Å; R441-E491 PolarHBondContact NE-OE1 3.32Å; R441-E491 VanDerWaalsContact NH2-CD 3.31Å; R441-E491 IonicContact NH2-OE1 3.07Å; R441-E491 PolarHBondContact NH2-OE1 2.99Å; R441-E491 IonicContact NH2-OE2 3.68Å; R441-E491 PolarHBondContact O-N 3.42Å; L443-E491 HydrophobicContact CD1-CB 4.35Å; L443-E491 HydrophobicContact CD2-CB 4.2Å; L443-E491 HydrophobicContact CD2-CG 3.93Å; L443-E491 WeakPolarHBondContact CD2-OE1 3.4Å; L443-E491 HydrophobicContact CG-CB 4.34Å; L443-E491 HydrophobicContact CG-CG 4.38Å; E491-C493 PolarHBondContact O-N 3.29Å
492	P	88.6	Confident	85.6	Confident	90 Å²	90	67.6 Å²	67.6	58%	0.584	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	132.7	171.3	-21.5	33.5	0	0	0	111.9	L494	P492-L494 PolarHBondContact O-N 3.32Å
493	C	83.7	Confident	85.1	Confident	49 Å²	49	72.2 Å²	72.2	33%	0.331	37%	0.372	S	S	.	.			trans	-73.2	92.5	168.6	-70.8	0	0	0	0	109.4	K439 E491 K495	K439-C493 HydrophobicContact CB-CB 4.11Å; K439-C493 WeakPolarHBondContact O-CB 3.48Å; K439-C493 PolarHBondContact O-N 2.55Å; E491-C493 PolarHBondContact O-N 3.29Å; C493-K495 PolarHBondContact O-N 3.17Å
494	L	69.2	Low	84.6	Confident	165 Å²	165	78.2 Å²	78.2	86%	0.864	40%	0.403	S	S	*	.			trans	-55.6	134.6	169.4	-65.2	174.3	0	0	0	110	P492	P492-L494 PolarHBondContact O-N 3.32Å
495	K	46.8	Very low	84.1	Confident	284 Å²	284	81.7 Å²	81.7	100%	1.235	42%	0.422	S	S	*	.			trans	-74.8	0	175.5	-77.2	-175.5	175.8	176.5	0	111.9	C493	C493-K495 PolarHBondContact O-N 3.17Å

Retrieved 495 of 495 residues in 171.3 ms (Link to these results)

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