A0A087XW19_POEFO Loading...

Switch-associated protein 70

Phosphatidylinositol 3,4,5-trisphosphate-dependent guanine nucleotide exchange factor (GEF) which, independently of RAS, transduces signals from tyrosine kinase receptors to RAC. It also mediates signaling of membrane ruffling. Regulates the actin cytoskeleton as an effector or adapter protein in response to agonist stimulated phosphatidylinositol (3,4)-bisphosphate production and cell protrusion.

AlphaFold DB , UniProt , Accession A0A087XW19, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 605 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	K	39.2	Very low	30.8	Very low	255 Å²	255	159.7 Å²	159.7	100%	1.109	86%	0.859	S	S	*	*				0	106.8	0	-70.8	177.9	177.8	178.6	0	108
2	H	29.5	Very low	30.7	Very low	199 Å²	199	160.3 Å²	160.3	92%	0.921	86%	0.86	S	S	*	*			trans	-159.2	115.8	155.2	-92.6	-63.7	0	0	0	107.6
3	S	30.5	Very low	31.3	Very low	114 Å²	114	152 Å²	152	80%	0.797	82%	0.818	S	S	*	*			trans	-114.6	103.5	173.5	49.8	0	0	0	0	107.3
4	T	32.1	Very low	32.3	Very low	130 Å²	130	145.6 Å²	145.6	80%	0.798	79%	0.788	S	S	*	*			trans	-95.2	112.8	168.5	45.5	0	0	0	0	107.7
5	L	30.6	Very low	32.9	Very low	167 Å²	167	145.5 Å²	145.5	87%	0.874	79%	0.786	S	S	*	*			trans	-66.2	133.5	-179.8	-70.8	141.7	0	0	0	109.8	E7	L5-E7 PolarHBondContact O-N 3.4Å
6	T	30.2	Very low	33.8	Very low	138 Å²	138	146.3 Å²	146.3	85%	0.847	78%	0.783	S	S	*	*			trans	-76.7	110.3	164	48.1	0	0	0	0	108.5
7	E	25.5	Very low	34.9	Very low	179 Å²	179	140.4 Å²	140.4	84%	0.836	75%	0.752	S	S	*	*			trans	-64.3	140.7	167.4	-65.5	-176.1	132.6	0	0	109.9	L5	L5-E7 PolarHBondContact O-N 3.4Å
8	P	31.5	Very low	36	Very low	114 Å²	114	139.4 Å²	139.4	74%	0.74	74%	0.739	S	S	*	*			trans	-71.4	130.6	174	29.7	-32.9	0	0	0	109.9	L10	P8-L10 PolarHBondContact O-N 2.93Å
9	L	28.4	Very low	37	Very low	174 Å²	174	137.9 Å²	137.9	91%	0.911	73%	0.73	S	S	*	*			trans	-61	101.1	171.5	-82.7	158	0	0	0	110	V11	L9-V11 PolarHBondContact O-N 3.18Å
10	L	29.1	Very low	38.5	Very low	156 Å²	156	132.8 Å²	132.8	82%	0.817	70%	0.7	S	S	*	*			trans	-63.5	116.7	167.3	-81.6	165.1	0	0	0	108.7	P8 L12	P8-L10 PolarHBondContact O-N 2.93Å; L10-L12 PolarHBondContact O-N 3.43Å; L10-L12 VanDerWaalsContact O-N 3.11Å
11	V	32.4	Very low	40.4	Very low	131 Å²	131	128.1 Å²	128.1	79%	0.794	68%	0.675	S	S	*	*			trans	-65	112	173.2	178.7	0	0	0	0	108	L9 V13	L9-V11 PolarHBondContact O-N 3.18Å; V11-V13 VanDerWaalsContact C-N 3.34Å; V11-V13 PolarHBondContact O-N 2.82Å
12	L	29.2	Very low	42.5	Very low	167 Å²	167	119.5 Å²	119.5	87%	0.874	64%	0.636	S	S	*	*			trans	-73.1	88.4	176.1	-71.9	170.9	0	0	0	109.6	L10	L10-L12 PolarHBondContact O-N 3.43Å; L10-L12 VanDerWaalsContact O-N 3.11Å
13	V	39.1	Very low	45.1	Very low	52 Å²	52	113.7 Å²	113.7	32%	0.315	61%	0.609	S	S	.	*			trans	-59.1	133.2	166.4	-179.5	0	0	0	0	108.8	V11 D17	V11-V13 VanDerWaalsContact C-N 3.34Å; V11-V13 PolarHBondContact O-N 2.82Å; V13-D17 HydrophobicContact CG1-CB 3.97Å
14	P	44.6	Very low	47.8	Very low	62 Å²	62	108.4 Å²	108.4	40%	0.403	57%	0.571	S	S	.	*			trans	-53.6	145.8	176.2	-26.9	35.6	0	0	0	113	E16 D17	P14-E16 PolarHBondContact O-N 3.3Å; P14-D17 PolarHBondContact O-N 3.19Å
15	L	41.7	Very low	50.6	Low	145 Å²	145	102.2 Å²	102.2	76%	0.759	53%	0.534	S	S	*	.	H	α-helix	trans	-62.7	-28.1	177.4	-73.5	164.7	0	0	0	112.4	K18 M19	L15-K18 PolarHBondContact O-N 2.64Å; L15-M19 PolarHBondContact O-N 3.11Å
16	E	46.9	Very low	53.5	Low	157 Å²	157	95.2 Å²	95.2	73%	0.734	50%	0.497	S	S	*	.	H	α-helix	trans	-69.4	-40.5	-178.6	-62.1	176.8	155.3	0	0	112.4	P14 K18 M19 W20	P14-E16 PolarHBondContact O-N 3.3Å; E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 2.95Å; E16-M19 PolarHBondContact O-N 2.58Å; E16-W20 PolarHBondContact O-N 3.38Å
17	D	52.4	Low	56.5	Low	47 Å²	47	88.7 Å²	88.7	25%	0.251	46%	0.457	S	S	.	.	H	α-helix	trans	-59.9	-40.4	175.5	-81.9	-55.5	0	0	0	111.9	V13 P14 W20 L21 L329	V13-D17 HydrophobicContact CG1-CB 3.97Å; P14-D17 PolarHBondContact O-N 3.19Å; D17-W20 PolarHBondContact O-N 2.92Å; D17-L21 PolarHBondContact O-N 2.85Å; D17-L329 VanDerWaalsContact OD1-CD2 3.25Å; D17-L329 WeakPolarHBondContact OD1-CD2 3.35Å
18	K	55.3	Low	59.8	Low	122 Å²	122	80.2 Å²	80.2	53%	0.53	42%	0.417	S	S	.	.	H	α-helix	trans	-67.9	-37.3	177.7	-68.2	-167.2	175.1	-169.7	0	112.8	L15 E16 R22	L15-K18 PolarHBondContact O-N 2.64Å; E16-K18 VanDerWaalsContact C-N 3.3Å; E16-K18 PolarHBondContact O-N 2.95Å; K18-R22 PolarHBondContact O-N 3.24Å
19	M	55.7	Low	62.7	Low	112 Å²	112	74.8 Å²	74.8	55%	0.552	38%	0.382	S	S	*	.	H	α-helix	trans	-64	-44.7	173.6	-73	-178.2	60.9	0	0	111	L15 E16 R22 E23	L15-M19 PolarHBondContact O-N 3.11Å; E16-M19 PolarHBondContact O-N 2.58Å; M19-R22 PolarHBondContact O-N 3.16Å; M19-E23 PolarHBondContact O-N 2.87Å
20	W	66.4	Low	65.7	Low	34 Å²	34	68.3 Å²	68.3	13%	0.129	35%	0.346	C	S	.	.	H	α-helix	trans	-62.5	-45	178.8	-170.1	88.4	0	0	0	112.6	E16 D17 R22 E23 E24 F141 R333 R336	E16-W20 PolarHBondContact O-N 3.38Å; D17-W20 PolarHBondContact O-N 2.92Å; W20-R22 VanDerWaalsContact C-N 3.32Å; W20-R22 PolarHBondContact O-N 2.62Å; W20-E23 PolarHBondContact O-N 2.67Å; W20-E24 HydrophobicContact CD2-CG 3.97Å; W20-E24 HydrophobicContact CE3-CG 3.97Å; W20-E24 HydrophobicContact CH2-CG 3.65Å; W20-E24 HydrophobicContact CZ2-CG 3.63Å; W20-E24 HydrophobicContact CZ3-CG 3.81Å; W20-E24 PolarHBondContact O-N 3.07Å; W20-E24 VanDerWaalsContact O-N 3.14Å; W20-F141 HydrophobicContact CH2-CD2 4.37Å; W20-F141 HydrophobicContact CH2-CE2 4.18Å; W20-F141 HydrophobicContact CZ2-CD2 4.33Å; W20-F141 HydrophobicContact CZ2-CE2 4Å; W20-R333 VanDerWaalsContact CE3-NH1 3.35Å; W20-R333 HydrophobicContact CH2-CG 3.91Å; W20-R333 HydrophobicContact CZ2-CG 3.64Å; W20-R336 VanDerWaalsContact NE1-NH2 3.15Å
21	L	77.8	Confident	68.7	Low	36 Å²	36	61.9 Å²	61.9	19%	0.188	31%	0.311	C	S	.	.	H	α-helix	trans	-57.4	-45.4	176.5	179.2	61.7	0	0	0	111.4	D17 E23 E24 L25 V98 E100	D17-L21 PolarHBondContact O-N 2.85Å; L21-E23 VanDerWaalsContact C-N 3.32Å; L21-E23 PolarHBondContact O-N 3.06Å; L21-E24 PolarHBondContact O-N 2.73Å; L21-L25 HydrophobicContact CD1-CD1 4Å; L21-L25 HydrophobicContact CD1-CD2 4.49Å; L21-L25 HydrophobicContact CD1-CG 4.11Å; L21-L25 HydrophobicContact CG-CD1 3.89Å; L21-L25 HydrophobicContact CG-CG 4.42Å; L21-L25 WeakPolarHBondContact O-CG 3.39Å; L21-L25 PolarHBondContact O-N 2.94Å; L21-L25 VanDerWaalsContact O-N 3.09Å; L21-V98 HydrophobicContact CD2-CG1 4.17Å; L21-E100 HydrophobicContact CD2-CG 4.1Å
22	R	83.5	Confident	71.5	Confident	74 Å²	74	55.7 Å²	55.7	28%	0.279	27%	0.273	S	S	.	.	H	α-helix	trans	-59.4	-40.3	177.7	164.9	171.6	163.6	-77.2	-3.6	112.6	K18 M19 W20 L26 N91 L95 D96	K18-R22 PolarHBondContact O-N 3.24Å; M19-R22 PolarHBondContact O-N 3.16Å; W20-R22 VanDerWaalsContact C-N 3.32Å; W20-R22 PolarHBondContact O-N 2.62Å; R22-L26 WeakPolarHBondContact O-CB 3.33Å; R22-L26 PolarHBondContact O-N 2.66Å; R22-L26 VanDerWaalsContact O-N 3.13Å; R22-N91 VanDerWaalsContact CZ-OD1 3.31Å; R22-N91 PolarHBondContact NE-OD1 3.27Å; R22-N91 VanDerWaalsContact NE-OD1 3.14Å; R22-N91 PolarHBondContact NH2-OD1 3.18Å; R22-L95 HydrophobicContact CG-CB 4.06Å; R22-L95 HydrophobicContact CG-CD1 4.3Å; R22-D96 IonicContact NE-OD1 2.71Å
23	E	84.3	Confident	74.3	Confident	76 Å²	76	49 Å²	49	36%	0.355	24%	0.237	S	C	.	.	H	α-helix	trans	-69.9	-43.1	-179.3	-71.6	179	174.5	0	0	112.5	M19 W20 L21 L26 K27	M19-E23 PolarHBondContact O-N 2.87Å; W20-E23 PolarHBondContact O-N 2.67Å; L21-E23 VanDerWaalsContact C-N 3.32Å; L21-E23 PolarHBondContact O-N 3.06Å; E23-L26 WeakPolarHBondContact O-CB 3.25Å; E23-L26 PolarHBondContact O-N 2.7Å; E23-K27 PolarHBondContact O-N 2.59Å
24	E	86.4	Confident	76.6	Confident	3 Å²	3	48.5 Å²	48.5	1%	0.014	24%	0.235	C	C	.	.	H	α-helix	trans	-69	-37.6	178.5	-61.1	-71.2	123.2	0	0	112.5	W20 L21 L26 K27 R336	W20-E24 HydrophobicContact CD2-CG 3.97Å; W20-E24 HydrophobicContact CE3-CG 3.97Å; W20-E24 HydrophobicContact CH2-CG 3.65Å; W20-E24 HydrophobicContact CZ2-CG 3.63Å; W20-E24 HydrophobicContact CZ3-CG 3.81Å; W20-E24 PolarHBondContact O-N 3.07Å; W20-E24 VanDerWaalsContact O-N 3.14Å; L21-E24 PolarHBondContact O-N 2.73Å; E24-L26 VanDerWaalsContact C-N 3.32Å; E24-L26 PolarHBondContact O-N 2.8Å; E24-K27 WeakPolarHBondContact O-CB 3.44Å; E24-K27 PolarHBondContact O-N 2.93Å; E24-K27 IonicContact OE1-NZ 2.75Å; E24-K27 PolarHBondContact OE1-NZ 3.26Å; E24-K27 IonicContact OE2-NZ 2.67Å; E24-R336 IonicContact OE1-CZ 2.82Å; E24-R336 VanDerWaalsContact OE1-CZ 3.26Å; E24-R336 IonicContact OE1-NH1 2.84Å; E24-R336 PolarHBondContact OE1-NH1 3.42Å; E24-R336 IonicContact OE1-NH2 3.24Å; E24-R336 PolarHBondContact OE1-NH2 3.3Å; E24-R336 IonicContact OE2-CZ 3.15Å; E24-R336 IonicContact OE2-NH1 2.69Å; E24-R336 PolarHBondContact OE2-NH1 3.14Å
25	L	91.4	Very high	78.7	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-39.6	173	-65.5	172.4	0	0	0	111.3	L21 K27 A28 I29 M60 L95 V98 F102 F107	L21-L25 HydrophobicContact CD1-CD1 4Å; L21-L25 HydrophobicContact CD1-CD2 4.49Å; L21-L25 HydrophobicContact CD1-CG 4.11Å; L21-L25 HydrophobicContact CG-CD1 3.89Å; L21-L25 HydrophobicContact CG-CG 4.42Å; L21-L25 WeakPolarHBondContact O-CG 3.39Å; L21-L25 PolarHBondContact O-N 2.94Å; L21-L25 VanDerWaalsContact O-N 3.09Å; L25-K27 VanDerWaalsContact C-N 3.29Å; L25-K27 PolarHBondContact O-N 2.9Å; L25-A28 PolarHBondContact O-N 3.5Å; L25-I29 WeakPolarHBondContact O-CD1 3.27Å; L25-I29 WeakPolarHBondContact O-CG1 3.46Å; L25-I29 PolarHBondContact O-N 3.04Å; L25-M60 HydrophobicContact CD1-SD 4.23Å; L25-L95 HydrophobicContact CB-CD2 4.15Å; L25-V98 HydrophobicContact CD1-CG1 4.02Å; L25-V98 HydrophobicContact CD1-CG2 4.34Å; L25-F102 HydrophobicContact CD1-CZ 4.06Å; L25-F102 HydrophobicContact CD2-CE2 4.28Å; L25-F102 HydrophobicContact CD2-CZ 3.94Å; L25-F107 HydrophobicContact CB-CE1 4.18Å; L25-F107 HydrophobicContact CB-CZ 3.85Å; L25-F107 HydrophobicContact CD2-CD1 3.52Å; L25-F107 HydrophobicContact CD2-CD2 4.41Å; L25-F107 HydrophobicContact CD2-CE1 3.24Å; L25-F107 HydrophobicContact CD2-CE2 4.16Å; L25-F107 HydrophobicContact CD2-CG 4.12Å; L25-F107 HydrophobicContact CD2-CZ 3.58Å; L25-F107 HydrophobicContact CG-CE1 4.29Å; L25-F107 HydrophobicContact CG-CZ 4.29Å; L25-F107 WeakPolarHBondContact O-CZ 3.26Å
26	L	92.4	Very high	80.8	Confident	20 Å²	20	40.3 Å²	40.3	11%	0.105	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-36.1	179	-178	60	0	0	0	112.4	R22 E23 E24 A28 I29 W30 L90 L95	R22-L26 WeakPolarHBondContact O-CB 3.33Å; R22-L26 PolarHBondContact O-N 2.66Å; R22-L26 VanDerWaalsContact O-N 3.13Å; E23-L26 WeakPolarHBondContact O-CB 3.25Å; E23-L26 PolarHBondContact O-N 2.7Å; E24-L26 VanDerWaalsContact C-N 3.32Å; E24-L26 PolarHBondContact O-N 2.8Å; L26-A28 PolarHBondContact O-N 3.3Å; L26-I29 PolarHBondContact O-N 2.84Å; L26-W30 HydrophobicContact CD1-CZ2 4.44Å; L26-W30 HydrophobicContact CD2-CH2 4.18Å; L26-W30 HydrophobicContact CD2-CZ2 3.57Å; L26-W30 HydrophobicContact CG-CD2 4.2Å; L26-W30 HydrophobicContact CG-CH2 4.35Å; L26-W30 HydrophobicContact CG-CZ2 3.74Å; L26-W30 PolarHBondContact O-N 3.4Å; L26-L90 HydrophobicContact CD1-CD2 3.82Å; L26-L95 HydrophobicContact CB-CD1 4.3Å; L26-L95 HydrophobicContact CD1-CD1 4.09Å
27	K	93.4	Very high	82.6	Confident	1 Å²	1	33.3 Å²	33.3	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-57.7	-48	175.8	-62.3	177.1	177.7	174.4	0	112.2	E23 E24 L25 I29 W30 H31 N140 S143 D145 L149	E23-K27 PolarHBondContact O-N 2.59Å; E24-K27 WeakPolarHBondContact O-CB 3.44Å; E24-K27 PolarHBondContact O-N 2.93Å; E24-K27 IonicContact OE1-NZ 2.75Å; E24-K27 PolarHBondContact OE1-NZ 3.26Å; E24-K27 IonicContact OE2-NZ 2.67Å; L25-K27 VanDerWaalsContact C-N 3.29Å; L25-K27 PolarHBondContact O-N 2.9Å; K27-I29 VanDerWaalsContact C-N 3.32Å; K27-I29 PolarHBondContact O-N 2.68Å; K27-W30 PolarHBondContact O-N 3.28Å; K27-H31 PolarHBondContact O-N 2.83Å; K27-N140 VanDerWaalsContact CD-O 3.24Å; K27-N140 WeakPolarHBondContact CD-O 3.2Å; K27-N140 PolarHBondContact NZ-O 2.67Å; K27-S143 PolarHBondContact NZ-O 2.8Å; K27-D145 WeakPolarHBondContact CE-OD1 3.45Å; K27-D145 IonicContact NZ-OD1 3.43Å; K27-D145 PolarHBondContact NZ-OD1 3.4Å; K27-L149 HydrophobicContact CB-CD1 3.84Å; K27-L149 HydrophobicContact CB-CD2 4.38Å; K27-L149 HydrophobicContact CD-CD2 4.48Å; K27-L149 HydrophobicContact CG-CD1 4.38Å; K27-L149 HydrophobicContact CG-CD2 4.01Å; K27-L149 WeakPolarHBondContact O-CD1 3.27Å
28	A	93.7	Very high	83.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-38.4	176.7	0	0	0	0	0	112.3	L25 L26 H31 A32 F107 Y108 C111 W136	L25-A28 PolarHBondContact O-N 3.5Å; L26-A28 PolarHBondContact O-N 3.3Å; A28-H31 PolarHBondContact O-N 2.86Å; A28-A32 PolarHBondContact O-N 3.26Å; A28-F107 HydrophobicContact CB-CE1 3.66Å; A28-F107 HydrophobicContact CB-CZ 4.02Å; A28-Y108 HydrophobicContact CB-CD1 3.75Å; A28-Y108 HydrophobicContact CB-CE1 3.84Å; A28-C111 HydrophobicContact CB-CB 4.05Å; A28-W136 HydrophobicContact CB-CH2 3.73Å; A28-W136 HydrophobicContact CB-CZ2 4.31Å
29	I	93	Very high	84.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-71	-33.4	179.5	-62.7	158.7	0	0	0	111.6	L25 L26 K27 H31 A32 F33 L56 L90 L95 F107	L25-I29 WeakPolarHBondContact O-CD1 3.27Å; L25-I29 WeakPolarHBondContact O-CG1 3.46Å; L25-I29 PolarHBondContact O-N 3.04Å; L26-I29 PolarHBondContact O-N 2.84Å; K27-I29 VanDerWaalsContact C-N 3.32Å; K27-I29 PolarHBondContact O-N 2.68Å; I29-H31 VanDerWaalsContact C-N 3.34Å; I29-H31 PolarHBondContact O-N 3.36Å; I29-A32 WeakPolarHBondContact O-CB 3.45Å; I29-A32 PolarHBondContact O-N 2.6Å; I29-F33 WeakPolarHBondContact O-CB 3.22Å; I29-F33 PolarHBondContact O-N 3.31Å; I29-L56 HydrophobicContact CD1-CD1 4.41Å; I29-L56 HydrophobicContact CD1-CD2 4Å; I29-L56 HydrophobicContact CG1-CD1 4.36Å; I29-L56 HydrophobicContact CG1-CD2 3.83Å; I29-L56 HydrophobicContact CG2-CD1 4.24Å; I29-L90 HydrophobicContact CB-CD2 4.49Å; I29-L90 HydrophobicContact CD1-CD1 4.33Å; I29-L90 HydrophobicContact CG2-CD1 4.29Å; I29-L90 HydrophobicContact CG2-CD2 3.63Å; I29-L95 HydrophobicContact CD1-CD2 3.92Å; I29-F107 HydrophobicContact CD1-CE2 4.02Å; I29-F107 HydrophobicContact CD1-CZ 3.95Å; I29-F107 HydrophobicContact CG1-CE2 4.02Å; I29-F107 HydrophobicContact CG1-CZ 3.81Å
30	W	92.1	Very high	85.6	Confident	39 Å²	39	36.4 Å²	36.4	15%	0.148	18%	0.179	C	C	.	.	H	α-helix	trans	-59.5	-42.6	172.4	-73.5	-25.3	0	0	0	112.2	L26 K27 A32 F33 T34 Y147 L149	L26-W30 HydrophobicContact CD1-CZ2 4.44Å; L26-W30 HydrophobicContact CD2-CH2 4.18Å; L26-W30 HydrophobicContact CD2-CZ2 3.57Å; L26-W30 HydrophobicContact CG-CD2 4.2Å; L26-W30 HydrophobicContact CG-CH2 4.35Å; L26-W30 HydrophobicContact CG-CZ2 3.74Å; L26-W30 PolarHBondContact O-N 3.4Å; K27-W30 PolarHBondContact O-N 3.28Å; W30-A32 VanDerWaalsContact C-N 3.34Å; W30-A32 PolarHBondContact O-N 3.29Å; W30-F33 PolarHBondContact O-N 2.75Å; W30-T34 WeakPolarHBondContact O-CB 3.25Å; W30-T34 PolarHBondContact O-N 3.02Å; W30-T34 PolarHBondContact O-OG1 2.81Å; W30-Y147 HydrophobicContact CB-CD2 3.86Å; W30-Y147 HydrophobicContact CB-CE2 4.14Å; W30-Y147 AromaticContact CD2-CD2 3.96Å; W30-Y147 HydrophobicContact CD2-CD2 3.96Å; W30-Y147 HydrophobicContact CD2-CG 4.42Å; W30-Y147 HydrophobicContact CE3-CD2 4.18Å; W30-Y147 AromaticContact CG-CD2 3.85Å; W30-Y147 HydrophobicContact CG-CD2 3.85Å; W30-L149 HydrophobicContact CE3-CD1 4.08Å; W30-L149 HydrophobicContact CE3-CD2 3.73Å; W30-L149 HydrophobicContact CE3-CG 3.82Å; W30-L149 HydrophobicContact CZ3-CD2 3.73Å; W30-L149 HydrophobicContact CZ3-CG 4.31Å
31	H	91.3	Very high	85.9	Confident	21 Å²	21	43.6 Å²	43.6	10%	0.097	21%	0.206	C	C	.	.	H	α-helix	trans	-62	-39.6	173.9	-75.5	-61.8	0	0	0	112.7	K27 A28 I29 A35 C115 W136 F139 N140 L149	K27-H31 PolarHBondContact O-N 2.83Å; A28-H31 PolarHBondContact O-N 2.86Å; I29-H31 VanDerWaalsContact C-N 3.34Å; I29-H31 PolarHBondContact O-N 3.36Å; H31-A35 WeakPolarHBondContact O-CB 3.14Å; H31-A35 PolarHBondContact O-N 2.83Å; H31-C115 HydrophobicContact CB-CB 4.39Å; H31-W136 HydrophobicContact CB-CZ2 3.98Å; H31-W136 AromaticContact CD2-CE2 3.81Å; H31-W136 AromaticContact CD2-CZ2 3.77Å; H31-W136 AromaticContact CD2-NE1 3.36Å; H31-W136 PolarHBondContact CD2-NE1 3.17Å; H31-W136 AromaticContact CG-NE1 3.65Å; H31-W136 AromaticContact NE2-NE1 3.69Å; H31-F139 AromaticContact NE2-CE1 3.67Å; H31-N140 PolarHBondContact CD2-OD1 3.1Å; H31-N140 PolarHBondContact NE2-OD1 2.82Å; H31-L149 WeakPolarHBondContact NE2-CD1 3.28Å
32	A	90.3	Very high	85.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.9	-42.5	175.2	0	0	0	0	0	112.5	A28 I29 W30 A35 L36 L52 C111 L114	A28-A32 PolarHBondContact O-N 3.26Å; I29-A32 WeakPolarHBondContact O-CB 3.45Å; I29-A32 PolarHBondContact O-N 2.6Å; W30-A32 VanDerWaalsContact C-N 3.34Å; W30-A32 PolarHBondContact O-N 3.29Å; A32-A35 PolarHBondContact O-N 2.99Å; A32-L36 WeakPolarHBondContact O-CG 3.23Å; A32-L36 PolarHBondContact O-N 3Å; A32-L52 HydrophobicContact CB-CD1 4.19Å; A32-C111 HydrophobicContact CB-CB 4.45Å; A32-L114 HydrophobicContact CB-CB 4.42Å; A32-L114 HydrophobicContact CB-CD1 3.8Å
33	F	88.8	Confident	85.5	Confident	27 Å²	27	48.8 Å²	48.8	12%	0.118	24%	0.243	C	C	.	.	H	α-helix	trans	-65	-47.3	177.5	-178	-84.6	0	0	0	111.8	I29 W30 A35 L36 D37 V44 L49 Y86 M87	I29-F33 WeakPolarHBondContact O-CB 3.22Å; I29-F33 PolarHBondContact O-N 3.31Å; W30-F33 PolarHBondContact O-N 2.75Å; F33-A35 PolarHBondContact O-N 3.35Å; F33-L36 WeakPolarHBondContact O-CA 3.39Å; F33-L36 PolarHBondContact O-N 2.84Å; F33-D37 PolarHBondContact O-N 2.94Å; F33-V44 HydrophobicContact CD1-CG2 4.42Å; F33-V44 HydrophobicContact CD2-CG2 4.12Å; F33-V44 HydrophobicContact CE1-CG2 4.1Å; F33-V44 HydrophobicContact CE2-CB 4.34Å; F33-V44 HydrophobicContact CE2-CG2 3.8Å; F33-V44 HydrophobicContact CG-CG2 4.43Å; F33-V44 HydrophobicContact CZ-CG2 3.78Å; F33-L49 HydrophobicContact CD2-CD2 3.88Å; F33-L49 HydrophobicContact CE2-CD2 3.77Å; F33-Y86 AromaticContact CD2-CD1 3.62Å; F33-Y86 HydrophobicContact CD2-CD1 3.62Å; F33-Y86 AromaticContact CD2-CE1 3.91Å; F33-Y86 HydrophobicContact CD2-CE1 3.91Å; F33-Y86 AromaticContact CE2-CD1 3.65Å; F33-Y86 HydrophobicContact CE2-CD1 3.65Å; F33-Y86 HydrophobicContact CE2-CE1 4.38Å; F33-Y86 HydrophobicContact CE2-CG 4.19Å; F33-M87 HydrophobicContact CD1-CE 4.28Å; F33-M87 HydrophobicContact CD2-CE 4.24Å; F33-M87 HydrophobicContact CE2-CE 4.45Å; F33-M87 HydrophobicContact CG-CE 4.15Å
34	T	87.8	Confident	85.5	Confident	42 Å²	42	46 Å²	46	26%	0.258	23%	0.232	S	C	.	.	H	α-helix	trans	-60.6	-32.9	178.2	-47.8	0	0	0	0	111.6	W30 L36 Y147	W30-T34 WeakPolarHBondContact O-CB 3.25Å; W30-T34 PolarHBondContact O-N 3.02Å; W30-T34 PolarHBondContact O-OG1 2.81Å; T34-L36 VanDerWaalsContact C-N 3.28Å; T34-L36 PolarHBondContact O-N 2.8Å; T34-Y147 PolarHBondContact OG1-OH 2.84Å; T34-Y147 VanDerWaalsContact OG1-OH 3.1Å
35	A	87.4	Confident	85.5	Confident	7 Å²	7	48.3 Å²	48.3	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-72.8	-16.5	174.6	0	0	0	0	0	114.1	H31 A32 F33 L114 C115 K118	H31-A35 WeakPolarHBondContact O-CB 3.14Å; H31-A35 PolarHBondContact O-N 2.83Å; A32-A35 PolarHBondContact O-N 2.99Å; F33-A35 PolarHBondContact O-N 3.35Å; A35-L114 WeakPolarHBondContact CB-O 3.38Å; A35-C115 HydrophobicContact CB-CB 3.77Å; A35-K118 PolarHBondContact O-NZ 3.45Å
36	L	86.6	Confident	85.2	Confident	28 Å²	28	50.1 Å²	50.1	15%	0.147	26%	0.256	C	S	.	.	H	α-helix	trans	-95.4	-24.2	174	-64	171.3	0	0	0	112.9	A32 F33 T34 V38 V44 Q48 L52	A32-L36 WeakPolarHBondContact O-CG 3.23Å; A32-L36 PolarHBondContact O-N 3Å; F33-L36 WeakPolarHBondContact O-CA 3.39Å; F33-L36 PolarHBondContact O-N 2.84Å; T34-L36 VanDerWaalsContact C-N 3.28Å; T34-L36 PolarHBondContact O-N 2.8Å; L36-V38 PolarHBondContact O-N 2.96Å; L36-V44 HydrophobicContact CB-CB 4.49Å; L36-V44 HydrophobicContact CB-CG1 3.63Å; L36-V44 HydrophobicContact CB-CG2 3.96Å; L36-V44 HydrophobicContact CD1-CG1 4.35Å; L36-Q48 HydrophobicContact CD1-CB 4.5Å; L36-L52 HydrophobicContact CD1-CB 4.19Å; L36-L52 HydrophobicContact CD1-CD2 3.94Å
37	D	84.1	Confident	85	Confident	10 Å²	10	52.9 Å²	52.9	5%	0.053	28%	0.277	C	S	.	.			trans	-76.8	68.9	173.5	-177.4	34.1	0	0	0	110.9	F33 D39 H40 R41 G42 K43 V44	F33-D37 PolarHBondContact O-N 2.94Å; D37-D39 PolarHBondContact O-N 3.17Å; D37-H40 PolarHBondContact O-N 2.92Å; D37-H40 PolarHBondContact O-ND1 2.87Å; D37-H40 VanDerWaalsContact OD2-CA 3.32Å; D37-H40 WeakPolarHBondContact OD2-CA 3.44Å; D37-R41 PolarHBondContact OD1-N 3.38Å; D37-R41 VanDerWaalsContact OD1-N 3.1Å; D37-R41 PolarHBondContact OD2-N 3.1Å; D37-G42 PolarHBondContact OD1-N 3.22Å; D37-G42 VanDerWaalsContact OD2-CA 3.27Å; D37-G42 WeakPolarHBondContact OD2-CA 3.32Å; D37-G42 PolarHBondContact OD2-N 2.84Å; D37-K43 PolarHBondContact OD1-N 3.5Å; D37-V44 HydrophobicContact CB-CG2 3.91Å
38	V	77.4	Confident	84.8	Confident	94 Å²	94	56.1 Å²	56.1	57%	0.57	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-32.2	-175.4	-177.2	0	0	0	0	112.6	L36 H40	L36-V38 PolarHBondContact O-N 2.96Å; V38-H40 VanDerWaalsContact C-N 3.33Å
39	D	74.7	Confident	84.6	Confident	102 Å²	102	56.5 Å²	56.5	55%	0.545	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-9	-179.8	-93.3	33.2	0	0	0	113.3	D37 R41	D37-D39 PolarHBondContact O-N 3.17Å; D39-R41 HydrophobicContact CB-CB 4.34Å; D39-R41 HydrophobicContact CB-CG 3.92Å; D39-R41 PolarHBondContact O-N 2.85Å; D39-R41 IonicContact OD2-CZ 3.69Å; D39-R41 IonicContact OD2-NE 2.6Å; D39-R41 PolarHBondContact OD2-NE 3.04Å; D39-R41 IonicContact OD2-NH2 4Å
40	H	75.6	Confident	84.4	Confident	150 Å²	150	59.2 Å²	59.2	69%	0.694	31%	0.306	S	S	*	.	S	Bend	trans	52.9	34.1	-171.9	-56.2	-29.1	0	0	0	113.7	D37 V38	D37-H40 PolarHBondContact O-N 2.92Å; D37-H40 PolarHBondContact O-ND1 2.87Å; D37-H40 VanDerWaalsContact OD2-CA 3.32Å; D37-H40 WeakPolarHBondContact OD2-CA 3.44Å; V38-H40 VanDerWaalsContact C-N 3.33Å
41	R	72.9	Confident	84.4	Confident	184 Å²	184	61.4 Å²	61.4	69%	0.694	32%	0.323	S	S	*	.	S	Bend	trans	-100.1	5.1	-179.3	-69	177.2	-154	-90.3	2.3	112.7	D37 D39 K43	D37-R41 PolarHBondContact OD1-N 3.38Å; D37-R41 VanDerWaalsContact OD1-N 3.1Å; D37-R41 PolarHBondContact OD2-N 3.1Å; D39-R41 HydrophobicContact CB-CB 4.34Å; D39-R41 HydrophobicContact CB-CG 3.92Å; D39-R41 PolarHBondContact O-N 2.85Å; D39-R41 IonicContact OD2-CZ 3.69Å; D39-R41 IonicContact OD2-NE 2.6Å; D39-R41 PolarHBondContact OD2-NE 3.04Å; D39-R41 IonicContact OD2-NH2 4Å; R41-K43 VanDerWaalsContact C-N 3.25Å; R41-K43 HydrophobicContact CB-CB 4.44Å
42	G	73.2	Confident	84.4	Confident	49 Å²	49	60.6 Å²	60.6	51%	0.505	32%	0.32	S	S	.	.	S	Bend	trans	68.6	22.9	-168.4	0	0	0	0	0	113	D37	D37-G42 PolarHBondContact OD1-N 3.22Å; D37-G42 VanDerWaalsContact OD2-CA 3.27Å; D37-G42 WeakPolarHBondContact OD2-CA 3.32Å; D37-G42 PolarHBondContact OD2-N 2.84Å
43	K	78.3	Confident	84.5	Confident	170 Å²	170	60.6 Å²	60.6	74%	0.739	32%	0.32	S	S	*	.			trans	-130.9	112.1	-170.7	-71.4	-168.2	177.4	-170.8	0	112.1	D37 R41	D37-K43 PolarHBondContact OD1-N 3.5Å; R41-K43 VanDerWaalsContact C-N 3.25Å; R41-K43 HydrophobicContact CB-CB 4.44Å
44	V	83.7	Confident	84.6	Confident	19 Å²	19	64.8 Å²	64.8	12%	0.115	34%	0.335	C	S	.	.			trans	-110	144.2	174.9	-176.1	0	0	0	0	108.8	F33 L36 D37 Q48 L49	F33-V44 HydrophobicContact CD1-CG2 4.42Å; F33-V44 HydrophobicContact CD2-CG2 4.12Å; F33-V44 HydrophobicContact CE1-CG2 4.1Å; F33-V44 HydrophobicContact CE2-CB 4.34Å; F33-V44 HydrophobicContact CE2-CG2 3.8Å; F33-V44 HydrophobicContact CG-CG2 4.43Å; F33-V44 HydrophobicContact CZ-CG2 3.78Å; L36-V44 HydrophobicContact CB-CB 4.49Å; L36-V44 HydrophobicContact CB-CG1 3.63Å; L36-V44 HydrophobicContact CB-CG2 3.96Å; L36-V44 HydrophobicContact CD1-CG1 4.35Å; D37-V44 HydrophobicContact CB-CG2 3.91Å; V44-Q48 HydrophobicContact CG1-CB 3.6Å; V44-Q48 HydrophobicContact CG1-CG 4.49Å; V44-L49 HydrophobicContact CB-CD1 4.21Å; V44-L49 HydrophobicContact CB-CD2 3.71Å; V44-L49 HydrophobicContact CB-CG 3.84Å; V44-L49 HydrophobicContact CG1-CD2 3.68Å; V44-L49 HydrophobicContact CG1-CG 3.76Å; V44-L49 HydrophobicContact CG2-CD2 4.34Å
45	S	87	Confident	84.8	Confident	50 Å²	50	65.6 Å²	65.6	35%	0.35	34%	0.338	S	S	.	.			trans	-66.1	147	179.4	66.1	0	0	0	0	112.3	S47 Q48 L49	S45-S47 PolarHBondContact O-N 3.31Å; S45-S47 PolarHBondContact OG-OG 3.47Å; S45-Q48 PolarHBondContact O-N 2.81Å; S45-Q48 VanDerWaalsContact O-N 3.1Å; S45-Q48 VanDerWaalsContact OG-CD 3.27Å; S45-Q48 VanDerWaalsContact OG-CG 3.28Å; S45-Q48 WeakPolarHBondContact OG-CG 3.42Å; S45-Q48 PolarHBondContact OG-N 2.98Å; S45-Q48 PolarHBondContact OG-OE1 3.17Å; S45-L49 WeakPolarHBondContact O-CG 3.42Å; S45-L49 PolarHBondContact O-N 3.22Å
46	K	86	Confident	85.1	Confident	40 Å²	40	65.2 Å²	65.2	17%	0.174	34%	0.335	C	S	.	.	H	α-helix	trans	-54.7	-36.8	178.9	-69.9	-173.1	-172.1	163	0	112.2	L49 K50 K74 E75 L81 S82	K46-L49 PolarHBondContact O-N 3Å; K46-K50 VanDerWaalsContact O-CB 3.24Å; K46-K50 WeakPolarHBondContact O-CB 3.34Å; K46-K50 PolarHBondContact O-N 3.17Å; K46-K74 PolarHBondContact NZ-O 3.08Å; K46-E75 WeakPolarHBondContact CD-OE2 3.4Å; K46-E75 WeakPolarHBondContact CE-OE2 3.49Å; K46-E75 IonicContact NZ-OE2 2.78Å; K46-E75 PolarHBondContact NZ-OE2 3.19Å; K46-L81 HydrophobicContact CB-CD2 4.43Å; K46-L81 HydrophobicContact CG-CD2 4.02Å; K46-S82 PolarHBondContact NZ-OG 3.47Å
47	S	87.3	Confident	85.3	Confident	77 Å²	77	64 Å²	64	54%	0.538	33%	0.329	S	S	.	.	H	α-helix	trans	-65.7	-42.1	177.2	56.2	0	0	0	0	113.4	S45 V51	S45-S47 PolarHBondContact O-N 3.31Å; S45-S47 PolarHBondContact OG-OG 3.47Å; S47-V51 WeakPolarHBondContact O-CG2 3.06Å; S47-V51 PolarHBondContact O-N 3.17Å; S47-V51 VanDerWaalsContact O-N 3.11Å
48	Q	88.9	Confident	85.6	Confident	69 Å²	69	67 Å²	67	32%	0.322	35%	0.348	S	S	.	.	H	α-helix	trans	-66	-41.7	173.1	-73.3	167.1	-55.5	0	0	111.8	L36 V44 S45 K50 V51 L52	L36-Q48 HydrophobicContact CD1-CB 4.5Å; V44-Q48 HydrophobicContact CG1-CB 3.6Å; V44-Q48 HydrophobicContact CG1-CG 4.49Å; S45-Q48 PolarHBondContact O-N 2.81Å; S45-Q48 VanDerWaalsContact O-N 3.1Å; S45-Q48 VanDerWaalsContact OG-CD 3.27Å; S45-Q48 VanDerWaalsContact OG-CG 3.28Å; S45-Q48 WeakPolarHBondContact OG-CG 3.42Å; S45-Q48 PolarHBondContact OG-N 2.98Å; S45-Q48 PolarHBondContact OG-OE1 3.17Å; Q48-K50 VanDerWaalsContact C-N 3.34Å; Q48-V51 PolarHBondContact O-N 2.62Å; Q48-L52 WeakPolarHBondContact O-CB 3.26Å; Q48-L52 PolarHBondContact O-N 3.01Å
49	L	89.9	Confident	86.3	Confident	9 Å²	9	63.8 Å²	63.8	5%	0.047	33%	0.328	C	S	.	.	H	α-helix	trans	-66.1	-35.9	177.6	-67.4	178.2	0	0	0	112.6	F33 V44 S45 K46 S53 F73 L81 Y86	F33-L49 HydrophobicContact CD2-CD2 3.88Å; F33-L49 HydrophobicContact CE2-CD2 3.77Å; V44-L49 HydrophobicContact CB-CD1 4.21Å; V44-L49 HydrophobicContact CB-CD2 3.71Å; V44-L49 HydrophobicContact CB-CG 3.84Å; V44-L49 HydrophobicContact CG1-CD2 3.68Å; V44-L49 HydrophobicContact CG1-CG 3.76Å; V44-L49 HydrophobicContact CG2-CD2 4.34Å; S45-L49 WeakPolarHBondContact O-CG 3.42Å; S45-L49 PolarHBondContact O-N 3.22Å; K46-L49 PolarHBondContact O-N 3Å; L49-S53 VanDerWaalsContact O-CB 3.25Å; L49-S53 WeakPolarHBondContact O-CB 3.5Å; L49-S53 PolarHBondContact O-N 3.29Å; L49-S53 PolarHBondContact O-OG 3.28Å; L49-F73 HydrophobicContact CB-CE1 4.05Å; L49-L81 HydrophobicContact CD1-CD1 4.36Å; L49-Y86 HydrophobicContact CB-CD2 3.95Å; L49-Y86 HydrophobicContact CB-CE2 3.86Å; L49-Y86 HydrophobicContact CD1-CD2 3.81Å; L49-Y86 HydrophobicContact CD1-CG 3.97Å; L49-Y86 HydrophobicContact CD2-CD1 3.91Å; L49-Y86 HydrophobicContact CD2-CD2 3.78Å; L49-Y86 HydrophobicContact CD2-CE1 3.96Å; L49-Y86 HydrophobicContact CD2-CE2 3.83Å; L49-Y86 HydrophobicContact CD2-CG 3.81Å; L49-Y86 HydrophobicContact CG-CD2 4.05Å; L49-Y86 HydrophobicContact CG-CE2 4.27Å; L49-Y86 HydrophobicContact CG-CG 4.38Å
50	K	90.2	Very high	87.1	Confident	57 Å²	57	59 Å²	59	25%	0.248	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-49.3	172.3	-178.2	-176.9	166.1	-177.4	0	111.2	K46 Q48 S53 Y54 F69 E70 F73	K46-K50 VanDerWaalsContact O-CB 3.24Å; K46-K50 WeakPolarHBondContact O-CB 3.34Å; K46-K50 PolarHBondContact O-N 3.17Å; Q48-K50 VanDerWaalsContact C-N 3.34Å; K50-S53 PolarHBondContact O-N 3.28Å; K50-Y54 WeakPolarHBondContact O-CB 3.45Å; K50-Y54 PolarHBondContact O-N 3.39Å; K50-F69 HydrophobicContact CG-CE1 3.82Å; K50-F69 HydrophobicContact CG-CZ 4.46Å; K50-E70 VanDerWaalsContact CE-OE1 3.26Å; K50-E70 WeakPolarHBondContact CE-OE1 3.4Å; K50-E70 WeakPolarHBondContact CE-OE2 3.38Å; K50-E70 IonicContact NZ-OE1 2.59Å; K50-E70 PolarHBondContact NZ-OE1 2.96Å; K50-E70 IonicContact NZ-OE2 3.72Å; K50-E70 PolarHBondContact NZ-OE2 3.21Å; K50-F73 VanDerWaalsContact CA-CE1 3.46Å; K50-F73 HydrophobicContact CB-CB 4.11Å; K50-F73 HydrophobicContact CB-CD1 3.54Å; K50-F73 HydrophobicContact CB-CD2 4.14Å; K50-F73 HydrophobicContact CB-CE1 3.98Å; K50-F73 HydrophobicContact CB-CG 3.66Å; K50-F73 HydrophobicContact CB-CZ 4.47Å; K50-F73 HydrophobicContact CD-CB 4.07Å; K50-F73 HydrophobicContact CD-CG 4.35Å; K50-F73 HydrophobicContact CG-CB 4.14Å; K50-F73 HydrophobicContact CG-CD1 4.26Å; K50-F73 HydrophobicContact CG-CD2 3.98Å; K50-F73 HydrophobicContact CG-CG 3.87Å
51	V	90.9	Very high	87.8	Confident	85 Å²	85	57.3 Å²	57.3	52%	0.515	29%	0.293	S	S	.	.	H	α-helix	trans	-63.4	-43.9	177.6	171.9	0	0	0	0	111.2	S47 Q48 Y54 N55	S47-V51 WeakPolarHBondContact O-CG2 3.06Å; S47-V51 PolarHBondContact O-N 3.17Å; S47-V51 VanDerWaalsContact O-N 3.11Å; Q48-V51 PolarHBondContact O-N 2.62Å; V51-Y54 PolarHBondContact O-N 3.33Å; V51-N55 WeakPolarHBondContact O-CB 3.43Å; V51-N55 PolarHBondContact O-N 2.64Å; V51-N55 PolarHBondContact O-ND2 3.04Å
52	L	91.9	Very high	88.6	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-48.2	174.4	176.6	59.5	0	0	0	111.2	A32 L36 Q48 Y54 N55 L56 Y86 M110 L114	A32-L52 HydrophobicContact CB-CD1 4.19Å; L36-L52 HydrophobicContact CD1-CB 4.19Å; L36-L52 HydrophobicContact CD1-CD2 3.94Å; Q48-L52 WeakPolarHBondContact O-CB 3.26Å; Q48-L52 PolarHBondContact O-N 3.01Å; L52-Y54 PolarHBondContact O-N 3.36Å; L52-N55 PolarHBondContact O-N 2.89Å; L52-L56 HydrophobicContact CD1-CD1 3.99Å; L52-L56 HydrophobicContact CD1-CG 4.1Å; L52-L56 HydrophobicContact CG-CD1 3.84Å; L52-L56 HydrophobicContact CG-CG 4.4Å; L52-L56 WeakPolarHBondContact O-CB 3.46Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 3.28Å; L52-Y86 HydrophobicContact CD2-CE1 4.34Å; L52-M110 HydrophobicContact CD1-CE 4.12Å; L52-L114 HydrophobicContact CD1-CD1 3.8Å
53	S	91.9	Very high	89.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-40.2	179.5	-66.6	0	0	0	0	113	L49 K50 L56 C57 F73 Y86	L49-S53 VanDerWaalsContact O-CB 3.25Å; L49-S53 WeakPolarHBondContact O-CB 3.5Å; L49-S53 PolarHBondContact O-N 3.29Å; L49-S53 PolarHBondContact O-OG 3.28Å; K50-S53 PolarHBondContact O-N 3.28Å; S53-L56 PolarHBondContact O-N 2.91Å; S53-C57 WeakPolarHBondContact O-CB 3.22Å; S53-C57 PolarHBondContact O-N 3.42Å; S53-C57 PolarHBondContact O-SG 2.75Å; S53-F73 WeakPolarHBondContact OG-CZ 3.38Å; S53-Y86 WeakPolarHBondContact OG-CE2 3.33Å; S53-Y86 PolarHBondContact OG-OH 2.79Å
54	Y	91.6	Very high	89.3	Confident	114 Å²	114	46.2 Å²	46.2	45%	0.447	25%	0.248	S	C	.	.	H	α-helix	trans	-66.1	-44.4	178	-177.1	-91.8	0	0	0	111.1	K50 V51 L52 C57 T58 H64 F69	K50-Y54 WeakPolarHBondContact O-CB 3.45Å; K50-Y54 PolarHBondContact O-N 3.39Å; V51-Y54 PolarHBondContact O-N 3.33Å; L52-Y54 PolarHBondContact O-N 3.36Å; Y54-C57 PolarHBondContact O-N 2.91Å; Y54-T58 WeakPolarHBondContact O-CB 3.24Å; Y54-T58 PolarHBondContact O-N 3.41Å; Y54-T58 PolarHBondContact O-OG1 3.32Å; Y54-H64 AromaticContact CD2-NE2 3.52Å; Y54-H64 AromaticContact CE2-NE2 3.35Å; Y54-H64 VanDerWaalsContact CE2-NE2 3.35Å; Y54-H64 WeakPolarHBondContact CE2-NE2 3.29Å; Y54-F69 HydrophobicContact CD2-CE1 4.21Å
55	N	92.1	Very high	89.3	Confident	59 Å²	59	48.9 Å²	48.9	32%	0.316	26%	0.262	S	S	.	.	H	α-helix	trans	-64.6	-41.1	175.8	-65.8	-14.8	0	0	0	111.4	V51 L52 T58 V59 M110	V51-N55 WeakPolarHBondContact O-CB 3.43Å; V51-N55 PolarHBondContact O-N 2.64Å; V51-N55 PolarHBondContact O-ND2 3.04Å; L52-N55 PolarHBondContact O-N 2.89Å; N55-T58 PolarHBondContact O-N 3.21Å; N55-V59 WeakPolarHBondContact O-CG2 3.41Å; N55-V59 PolarHBondContact O-N 3.41Å; N55-M110 HydrophobicContact CB-SD 3.62Å
56	L	92.8	Very high	89.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.9	-51.2	174.1	-77.6	170.5	0	0	0	111.7	I29 L52 S53 T58 M60 L90 I94 F107 M110	I29-L56 HydrophobicContact CD1-CD1 4.41Å; I29-L56 HydrophobicContact CD1-CD2 4Å; I29-L56 HydrophobicContact CG1-CD1 4.36Å; I29-L56 HydrophobicContact CG1-CD2 3.83Å; I29-L56 HydrophobicContact CG2-CD1 4.24Å; L52-L56 HydrophobicContact CD1-CD1 3.99Å; L52-L56 HydrophobicContact CD1-CG 4.1Å; L52-L56 HydrophobicContact CG-CD1 3.84Å; L52-L56 HydrophobicContact CG-CG 4.4Å; L52-L56 WeakPolarHBondContact O-CB 3.46Å; L52-L56 WeakPolarHBondContact O-CG 3.41Å; L52-L56 PolarHBondContact O-N 3.28Å; S53-L56 PolarHBondContact O-N 2.91Å; L56-T58 VanDerWaalsContact C-N 3.3Å; L56-T58 PolarHBondContact O-N 2.95Å; L56-M60 HydrophobicContact CB-CE 3.75Å; L56-M60 HydrophobicContact CD2-CE 3.85Å; L56-M60 HydrophobicContact CG-CE 4.38Å; L56-M60 WeakPolarHBondContact O-CB 3.42Å; L56-M60 WeakPolarHBondContact O-CE 3.33Å; L56-M60 PolarHBondContact O-N 3.35Å; L56-L90 HydrophobicContact CD1-CD1 4Å; L56-I94 HydrophobicContact CB-CD1 4.5Å; L56-I94 HydrophobicContact CB-CG2 4.32Å; L56-F107 HydrophobicContact CD2-CD2 4.12Å; L56-F107 HydrophobicContact CD2-CE2 3.58Å; L56-M110 HydrophobicContact CD2-CE 3.71Å; L56-M110 HydrophobicContact CG-CE 4.16Å
57	C	91.1	Very high	88.9	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.02	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-39.1	175.9	-69.5	0	0	0	0	112.2	S53 Y54 K61 I62	S53-C57 WeakPolarHBondContact O-CB 3.22Å; S53-C57 PolarHBondContact O-N 3.42Å; S53-C57 PolarHBondContact O-SG 2.75Å; Y54-C57 PolarHBondContact O-N 2.91Å; C57-K61 CarbonylContact O-C 3.57Å; C57-K61 WeakPolarHBondContact O-CA 3.3Å; C57-K61 PolarHBondContact O-N 2.89Å; C57-I62 HydrophobicContact CB-CB 4.21Å; C57-I62 PolarHBondContact O-N 3.04Å
58	T	91.2	Very high	88.6	Confident	72 Å²	72	54.7 Å²	54.7	44%	0.442	29%	0.292	S	S	.	.	H	α-helix	trans	-65.4	-50.8	179.9	-59.7	0	0	0	0	111.7	Y54 N55 L56 K61	Y54-T58 WeakPolarHBondContact O-CB 3.24Å; Y54-T58 PolarHBondContact O-N 3.41Å; Y54-T58 PolarHBondContact O-OG1 3.32Å; N55-T58 PolarHBondContact O-N 3.21Å; L56-T58 VanDerWaalsContact C-N 3.3Å; L56-T58 PolarHBondContact O-N 2.95Å; T58-K61 PolarHBondContact O-N 3.39Å
59	V	92.2	Very high	88.4	Confident	26 Å²	26	52 Å²	52	16%	0.158	28%	0.279	C	S	.	.	H	α-helix	trans	-72.7	-35.1	-176.3	179.9	0	0	0	0	111.7	N55 K61 F102 E106 F107 M110	N55-V59 WeakPolarHBondContact O-CG2 3.41Å; N55-V59 PolarHBondContact O-N 3.41Å; V59-K61 PolarHBondContact O-N 3.02Å; V59-F102 WeakPolarHBondContact O-CB 3.47Å; V59-E106 HydrophobicContact CG1-CB 4.09Å; V59-E106 HydrophobicContact CG1-CG 3.93Å; V59-F107 HydrophobicContact CG1-CB 3.97Å; V59-M110 HydrophobicContact CG2-SD 4.4Å
60	M	90.2	Very high	88.1	Confident	2 Å²	2	56 Å²	56	1%	0.01	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	9.9	172.3	-61.9	-177.4	-70.6	0	0	113.4	L25 L56 I62 I94 V98 F102 F107	L25-M60 HydrophobicContact CD1-SD 4.23Å; L56-M60 HydrophobicContact CB-CE 3.75Å; L56-M60 HydrophobicContact CD2-CE 3.85Å; L56-M60 HydrophobicContact CG-CE 4.38Å; L56-M60 WeakPolarHBondContact O-CB 3.42Å; L56-M60 WeakPolarHBondContact O-CE 3.33Å; L56-M60 PolarHBondContact O-N 3.35Å; M60-I62 HydrophobicContact CB-CD1 4Å; M60-I62 HydrophobicContact CB-CG1 4.03Å; M60-I62 HydrophobicContact CE-CD1 4.07Å; M60-I62 PolarHBondContact O-N 3.41Å; M60-I94 HydrophobicContact CE-CG2 3.47Å; M60-I94 VanDerWaalsContact CE-CG2 3.47Å; M60-V98 HydrophobicContact CE-CG2 4.4Å; M60-V98 HydrophobicContact SD-CG2 3.73Å; M60-F102 HydrophobicContact CB-CD1 4.46Å; M60-F102 HydrophobicContact CB-CD2 4.41Å; M60-F102 HydrophobicContact CB-CG 4.36Å; M60-F102 HydrophobicContact CG-CD2 3.95Å; M60-F102 HydrophobicContact CG-CE1 4.46Å; M60-F102 HydrophobicContact CG-CE2 3.78Å; M60-F102 HydrophobicContact CG-CG 4.37Å; M60-F102 HydrophobicContact CG-CZ 4.06Å; M60-F102 HydrophobicContact SD-CZ 4.44Å; M60-F107 HydrophobicContact CE-CD2 4.43Å; M60-F107 HydrophobicContact CE-CE2 4.2Å; M60-F107 HydrophobicContact CG-CD2 3.83Å; M60-F107 HydrophobicContact CG-CE2 4.4Å; M60-F107 HydrophobicContact SD-CD2 3.77Å; M60-F107 HydrophobicContact SD-CE2 3.73Å
61	K	90.4	Very high	87.7	Confident	115 Å²	115	58.4 Å²	58.4	50%	0.5	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	21.9	178.3	-59.1	171.9	168.5	-179.8	0	116	C57 T58 V59 P63 D101 F102	C57-K61 CarbonylContact O-C 3.57Å; C57-K61 WeakPolarHBondContact O-CA 3.3Å; C57-K61 PolarHBondContact O-N 2.89Å; T58-K61 PolarHBondContact O-N 3.39Å; V59-K61 PolarHBondContact O-N 3.02Å; K61-P63 WeakPolarHBondContact O-CD 3.39Å; K61-D101 WeakPolarHBondContact CD-OD2 3.42Å; K61-D101 PolarHBondContact NZ-O 3.38Å; K61-D101 IonicContact NZ-OD2 3.3Å; K61-D101 PolarHBondContact NZ-OD2 2.86Å; K61-F102 HydrophobicContact CD-CB 4.3Å; K61-F102 HydrophobicContact CG-CB 4.38Å
62	I	89.1	Confident	87.3	Confident	6 Å²	6	55.7 Å²	55.7	3%	0.031	29%	0.291	C	S	.	.			trans	-67.9	118.4	-176.3	-60.8	167.2	0	0	0	108.9	C57 M60 H64 I94 K97 V98	C57-I62 HydrophobicContact CB-CB 4.21Å; C57-I62 PolarHBondContact O-N 3.04Å; M60-I62 HydrophobicContact CB-CD1 4Å; M60-I62 HydrophobicContact CB-CG1 4.03Å; M60-I62 HydrophobicContact CE-CD1 4.07Å; M60-I62 PolarHBondContact O-N 3.41Å; I62-H64 PolarHBondContact O-N 3.18Å; I62-H64 PolarHBondContact O-ND1 2.98Å; I62-I94 HydrophobicContact CD1-CB 4.38Å; I62-I94 HydrophobicContact CD1-CG2 3.54Å; I62-I94 WeakPolarHBondContact CD1-O 2.97Å; I62-K97 HydrophobicContact CG2-CB 3.87Å; I62-K97 HydrophobicContact CG2-CD 4.15Å; I62-V98 HydrophobicContact CD1-CG2 4.01Å
63	P	84.3	Confident	87	Confident	109 Å²	109	56.1 Å²	56.1	71%	0.708	29%	0.293	S	S	*	.			trans	-66.6	123.6	177.2	27.4	-33.5	0	0	0	109.7	K61	K61-P63 WeakPolarHBondContact O-CD 3.39Å
64	H	83.4	Confident	86.5	Confident	54 Å²	54	60.3 Å²	60.3	25%	0.25	31%	0.311	C	S	.	.			trans	-137.5	136	179.5	58.8	-77.8	0	0	0	109.6	Y54 I62	Y54-H64 AromaticContact CD2-NE2 3.52Å; Y54-H64 AromaticContact CE2-NE2 3.35Å; Y54-H64 VanDerWaalsContact CE2-NE2 3.35Å; Y54-H64 WeakPolarHBondContact CE2-NE2 3.29Å; I62-H64 PolarHBondContact O-N 3.18Å; I62-H64 PolarHBondContact O-ND1 2.98Å
65	D	83.8	Confident	85.5	Confident	75 Å²	75	61.9 Å²	61.9	40%	0.401	32%	0.322	S	S	.	.			trans	-75.6	125	170.1	163.2	43.4	0	0	0	109.3	L67 T68 F69	D65-L67 VanDerWaalsContact C-N 3.27Å; D65-L67 PolarHBondContact O-N 3.09Å; D65-L67 PolarHBondContact OD1-N 3.17Å; D65-T68 PolarHBondContact O-N 3.23Å; D65-T68 VanDerWaalsContact OD2-CB 3.26Å; D65-T68 WeakPolarHBondContact OD2-CB 3.01Å; D65-T68 PolarHBondContact OD2-N 3.47Å; D65-T68 PolarHBondContact OD2-OG1 3.37Å; D65-F69 VanDerWaalsContact O-CB 3.26Å; D65-F69 WeakPolarHBondContact O-CB 3.41Å; D65-F69 PolarHBondContact O-N 3.41Å
66	P	82.9	Confident	84.5	Confident	88 Å²	88	62.1 Å²	62.1	57%	0.571	32%	0.324	S	S	*	.	H	α-helix	trans	-57.3	-35.5	178.2	-26.7	35.8	0	0	0	113.9	E70	P66-E70 WeakPolarHBondContact O-CG 3.38Å; P66-E70 PolarHBondContact O-N 3.26Å
67	L	80.3	Confident	83.5	Confident	133 Å²	133	68.5 Å²	68.5	70%	0.696	36%	0.358	S	S	*	.	H	α-helix	trans	-68.6	-54.4	-178.5	-64.6	173.3	0	0	0	110.7	D65 F69 E70 E71	D65-L67 VanDerWaalsContact C-N 3.27Å; D65-L67 PolarHBondContact O-N 3.09Å; D65-L67 PolarHBondContact OD1-N 3.17Å; L67-F69 PolarHBondContact O-N 3.26Å; L67-E70 WeakPolarHBondContact O-CB 3.09Å; L67-E70 PolarHBondContact O-N 2.67Å; L67-E70 VanDerWaalsContact O-N 3.14Å; L67-E71 VanDerWaalsContact O-CG 3.23Å; L67-E71 WeakPolarHBondContact O-CG 3.26Å; L67-E71 PolarHBondContact O-N 2.83Å
68	T	80.8	Confident	82.3	Confident	69 Å²	69	76 Å²	76	42%	0.423	39%	0.39	S	S	.	.	H	α-helix	trans	-56.9	-38.8	174.9	-55.5	0	0	0	0	111.6	D65 E71 H72	D65-T68 PolarHBondContact O-N 3.23Å; D65-T68 VanDerWaalsContact OD2-CB 3.26Å; D65-T68 WeakPolarHBondContact OD2-CB 3.01Å; D65-T68 PolarHBondContact OD2-N 3.47Å; D65-T68 PolarHBondContact OD2-OG1 3.37Å; T68-E71 PolarHBondContact O-N 3.24Å; T68-H72 PolarHBondContact O-CD2 3.48Å; T68-H72 PolarHBondContact O-N 3.17Å
69	F	85	Confident	81.2	Confident	11 Å²	11	72.9 Å²	72.9	5%	0.048	37%	0.372	C	S	.	.	H	α-helix	trans	-65.7	-42.9	176.6	-175.4	-90.3	0	0	0	112.2	K50 Y54 D65 L67 E71 H72 F73	K50-F69 HydrophobicContact CG-CE1 3.82Å; K50-F69 HydrophobicContact CG-CZ 4.46Å; Y54-F69 HydrophobicContact CD2-CE1 4.21Å; D65-F69 VanDerWaalsContact O-CB 3.26Å; D65-F69 WeakPolarHBondContact O-CB 3.41Å; D65-F69 PolarHBondContact O-N 3.41Å; L67-F69 PolarHBondContact O-N 3.26Å; F69-E71 VanDerWaalsContact C-N 3.29Å; F69-E71 PolarHBondContact O-N 3.22Å; F69-H72 PolarHBondContact O-N 2.83Å; F69-F73 HydrophobicContact CD1-CD2 4.45Å; F69-F73 HydrophobicContact CD2-CE2 4.31Å; F69-F73 HydrophobicContact CE1-CD2 4.13Å; F69-F73 AromaticContact CE1-CE2 3.99Å; F69-F73 HydrophobicContact CE1-CE2 3.99Å; F69-F73 AromaticContact CE2-CE2 3.76Å; F69-F73 HydrophobicContact CE2-CE2 3.76Å; F69-F73 HydrophobicContact CZ-CD2 4.19Å; F69-F73 AromaticContact CZ-CE2 3.58Å; F69-F73 HydrophobicContact CZ-CE2 3.58Å; F69-F73 HydrophobicContact CZ-CZ 4.3Å; F69-F73 WeakPolarHBondContact O-CD2 3.48Å
70	E	84	Confident	80.2	Confident	93 Å²	93	72.6 Å²	72.6	44%	0.435	37%	0.371	S	S	.	.	H	α-helix	trans	-58	-41.5	172	-75.3	-69.1	167.2	0	0	111.8	K50 P66 L67 H72 F73 K74	K50-E70 VanDerWaalsContact CE-OE1 3.26Å; K50-E70 WeakPolarHBondContact CE-OE1 3.4Å; K50-E70 WeakPolarHBondContact CE-OE2 3.38Å; K50-E70 IonicContact NZ-OE1 2.59Å; K50-E70 PolarHBondContact NZ-OE1 2.96Å; K50-E70 IonicContact NZ-OE2 3.72Å; K50-E70 PolarHBondContact NZ-OE2 3.21Å; P66-E70 WeakPolarHBondContact O-CG 3.38Å; P66-E70 PolarHBondContact O-N 3.26Å; L67-E70 WeakPolarHBondContact O-CB 3.09Å; L67-E70 PolarHBondContact O-N 2.67Å; L67-E70 VanDerWaalsContact O-N 3.14Å; E70-H72 VanDerWaalsContact C-N 3.26Å; E70-H72 PolarHBondContact O-N 3Å; E70-F73 PolarHBondContact O-N 3.04Å; E70-K74 PolarHBondContact O-N 3.02Å
71	E	81.6	Confident	79.6	Confident	108 Å²	108	73.2 Å²	73.2	51%	0.505	37%	0.374	S	S	.	.	H	α-helix	trans	-61.1	-32.9	179.7	-53	-138.5	107.2	0	0	113.2	L67 T68 F69 F73 K74	L67-E71 VanDerWaalsContact O-CG 3.23Å; L67-E71 WeakPolarHBondContact O-CG 3.26Å; L67-E71 PolarHBondContact O-N 2.83Å; T68-E71 PolarHBondContact O-N 3.24Å; F69-E71 VanDerWaalsContact C-N 3.29Å; F69-E71 PolarHBondContact O-N 3.22Å; E71-F73 VanDerWaalsContact C-N 3.26Å; E71-F73 PolarHBondContact O-N 3.3Å; E71-K74 HydrophobicContact CB-CD 4.45Å; E71-K74 IonicContact OE1-NZ 2.7Å; E71-K74 PolarHBondContact OE1-NZ 2.83Å
72	H	83.9	Confident	78.8	Confident	28 Å²	28	69.5 Å²	69.5	13%	0.13	36%	0.363	C	S	.	.	H	α-helix	trans	-67.3	-22.6	178.9	-63.4	166.2	0	0	0	114.4	T68 F69 E70 P80 L81 Y89 Y93	T68-H72 PolarHBondContact O-CD2 3.48Å; T68-H72 PolarHBondContact O-N 3.17Å; F69-H72 PolarHBondContact O-N 2.83Å; E70-H72 VanDerWaalsContact C-N 3.26Å; E70-H72 PolarHBondContact O-N 3Å; H72-P80 HydrophobicContact CB-CG 4.17Å; H72-L81 WeakPolarHBondContact O-CB 3.44Å; H72-Y89 HydrophobicContact CB-CE2 3.77Å; H72-Y89 AromaticContact CG-CE2 3.74Å; H72-Y89 AromaticContact ND1-CE2 3.44Å; H72-Y89 WeakPolarHBondContact ND1-CE2 3.5Å; H72-Y89 AromaticContact ND1-CZ 3.69Å; H72-Y89 PolarHBondContact ND1-OH 3.03Å; H72-Y93 AromaticContact CE1-CD1 3.42Å; H72-Y93 VanDerWaalsContact CE1-CD1 3.42Å; H72-Y93 WeakPolarHBondContact CE1-CD1 3.36Å; H72-Y93 AromaticContact CE1-CE1 3.42Å; H72-Y93 VanDerWaalsContact CE1-CE1 3.42Å; H72-Y93 WeakPolarHBondContact CE1-CE1 3.35Å; H72-Y93 AromaticContact NE2-CE1 3.61Å
73	F	84.2	Confident	77.8	Confident	13 Å²	13	74.2 Å²	74.2	6%	0.057	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	11.8	-175.7	-68.3	-88.2	0	0	0	113.7	L49 K50 S53 F69 E70 E71 L81 Y89	L49-F73 HydrophobicContact CB-CE1 4.05Å; K50-F73 VanDerWaalsContact CA-CE1 3.46Å; K50-F73 HydrophobicContact CB-CB 4.11Å; K50-F73 HydrophobicContact CB-CD1 3.54Å; K50-F73 HydrophobicContact CB-CD2 4.14Å; K50-F73 HydrophobicContact CB-CE1 3.98Å; K50-F73 HydrophobicContact CB-CG 3.66Å; K50-F73 HydrophobicContact CB-CZ 4.47Å; K50-F73 HydrophobicContact CD-CB 4.07Å; K50-F73 HydrophobicContact CD-CG 4.35Å; K50-F73 HydrophobicContact CG-CB 4.14Å; K50-F73 HydrophobicContact CG-CD1 4.26Å; K50-F73 HydrophobicContact CG-CD2 3.98Å; K50-F73 HydrophobicContact CG-CG 3.87Å; S53-F73 WeakPolarHBondContact OG-CZ 3.38Å; F69-F73 HydrophobicContact CD1-CD2 4.45Å; F69-F73 HydrophobicContact CD2-CE2 4.31Å; F69-F73 HydrophobicContact CE1-CD2 4.13Å; F69-F73 AromaticContact CE1-CE2 3.99Å; F69-F73 HydrophobicContact CE1-CE2 3.99Å; F69-F73 AromaticContact CE2-CE2 3.76Å; F69-F73 HydrophobicContact CE2-CE2 3.76Å; F69-F73 HydrophobicContact CZ-CD2 4.19Å; F69-F73 AromaticContact CZ-CE2 3.58Å; F69-F73 HydrophobicContact CZ-CE2 3.58Å; F69-F73 HydrophobicContact CZ-CZ 4.3Å; F69-F73 WeakPolarHBondContact O-CD2 3.48Å; E70-F73 PolarHBondContact O-N 3.04Å; E71-F73 VanDerWaalsContact C-N 3.26Å; E71-F73 PolarHBondContact O-N 3.3Å; F73-L81 HydrophobicContact CD1-CD2 3.34Å; F73-L81 HydrophobicContact CE1-CD2 3.53Å; F73-L81 HydrophobicContact CG-CD2 4.29Å; F73-Y89 AromaticContact CE2-CE1 3.99Å; F73-Y89 HydrophobicContact CE2-CE1 3.99Å; F73-Y89 AromaticContact CE2-CZ 3.92Å; F73-Y89 HydrophobicContact CZ-CD1 4.32Å; F73-Y89 AromaticContact CZ-CE1 3.59Å; F73-Y89 HydrophobicContact CZ-CE1 3.59Å; F73-Y89 AromaticContact CZ-CZ 4Å
74	K	81.1	Confident	77.3	Confident	88 Å²	88	73.2 Å²	73.2	38%	0.383	37%	0.374	S	S	.	.			trans	-61.1	159.1	177.2	-76.2	176	176.7	177.2	0	112.7	K46 E70 E71 D76	K46-K74 PolarHBondContact NZ-O 3.08Å; E70-K74 PolarHBondContact O-N 3.02Å; E71-K74 HydrophobicContact CB-CD 4.45Å; E71-K74 IonicContact OE1-NZ 2.7Å; E71-K74 PolarHBondContact OE1-NZ 2.83Å; K74-D76 VanDerWaalsContact C-N 3.29Å; K74-D76 WeakPolarHBondContact CB-OD1 3.34Å
75	E	71.8	Confident	77.2	Confident	147 Å²	147	72 Å²	72	69%	0.687	38%	0.376	S	S	*	.	S	Bend	trans	-85.6	7.3	176.1	-66.6	-64.7	-178.8	0	0	114.3	K46	K46-E75 WeakPolarHBondContact CD-OE2 3.4Å; K46-E75 WeakPolarHBondContact CE-OE2 3.49Å; K46-E75 IonicContact NZ-OE2 2.78Å; K46-E75 PolarHBondContact NZ-OE2 3.19Å
76	D	71.4	Confident	77.4	Confident	65 Å²	65	69.1 Å²	69.1	35%	0.348	36%	0.36	S	S	.	.	S	Bend	trans	-82.8	140	163.1	62	-22.4	0	0	0	111.6	K74 K78 S82	K74-D76 VanDerWaalsContact C-N 3.29Å; K74-D76 WeakPolarHBondContact CB-OD1 3.34Å; D76-K78 HydrophobicContact CB-CG 4.43Å; D76-K78 PolarHBondContact O-N 2.96Å; D76-S82 PolarHBondContact O-OG 3Å
77	D	70.7	Confident	77.6	Confident	133 Å²	133	68 Å²	68	71%	0.711	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	53.3	178.1	-60.4	-49.1	0	0	0	110.9	N83	D77-N83 PolarHBondContact O-OD1 2.93Å
78	K	67.2	Low	77.9	Confident	160 Å²	160	64.5 Å²	64.5	70%	0.696	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.4	-28.2	-177.6	-61.4	-176.5	-171.9	165.6	0	112.4	D76 N83	D76-K78 HydrophobicContact CB-CG 4.43Å; D76-K78 PolarHBondContact O-N 2.96Å; K78-N83 PolarHBondContact O-ND2 3.2Å
79	G	66.1	Low	78.4	Confident	7 Å²	7	61.4 Å²	61.4	7%	0.072	31%	0.313	C	S	.	.	S	Bend	trans	-64	152.3	176.7	0	0	0	0	0	112.6	L81 S82 N83	G79-L81 PolarHBondContact O-N 3.13Å; G79-S82 PolarHBondContact O-N 3.34Å; G79-N83 PolarHBondContact O-N 3.11Å; G79-N83 PolarHBondContact O-ND2 2.89Å
80	P	73.1	Confident	78.6	Confident	21 Å²	21	60.9 Å²	60.9	14%	0.136	31%	0.311	C	S	.	.	H	α-helix	trans	-57.9	-32.9	-178.7	23.8	-34.7	0	0	0	112.6	H72 N83 E84 Y89 Y93	H72-P80 HydrophobicContact CB-CG 4.17Å; P80-N83 PolarHBondContact O-N 3.27Å; P80-E84 WeakPolarHBondContact O-CB 3.44Å; P80-E84 PolarHBondContact O-N 3.41Å; P80-Y89 HydrophobicContact CB-CD2 4.26Å; P80-Y89 HydrophobicContact CG-CD2 4.02Å; P80-Y89 HydrophobicContact CG-CE2 4.14Å; P80-Y93 HydrophobicContact CB-CE2 4.08Å; P80-Y93 HydrophobicContact CG-CE2 4.32Å
81	L	77.3	Confident	78.8	Confident	14 Å²	14	57.9 Å²	57.9	7%	0.073	30%	0.298	C	S	.	.	H	α-helix	trans	-64.4	-39.1	175.3	-179.1	62.5	0	0	0	113.2	K46 L49 H72 F73 G79 G85 Y86	K46-L81 HydrophobicContact CB-CD2 4.43Å; K46-L81 HydrophobicContact CG-CD2 4.02Å; L49-L81 HydrophobicContact CD1-CD1 4.36Å; H72-L81 WeakPolarHBondContact O-CB 3.44Å; F73-L81 HydrophobicContact CD1-CD2 3.34Å; F73-L81 HydrophobicContact CE1-CD2 3.53Å; F73-L81 HydrophobicContact CG-CD2 4.29Å; G79-L81 PolarHBondContact O-N 3.13Å; L81-G85 VanDerWaalsContact O-CA 3.24Å; L81-G85 WeakPolarHBondContact O-CA 3.43Å; L81-G85 PolarHBondContact O-N 3.04Å; L81-G85 VanDerWaalsContact O-N 3.13Å; L81-Y86 HydrophobicContact CD1-CD2 3.82Å; L81-Y86 HydrophobicContact CD1-CG 4.39Å
82	S	72.9	Confident	79.1	Confident	38 Å²	38	59.1 Å²	59.1	27%	0.266	30%	0.298	S	S	.	.	H	α-helix	trans	-70.7	-35.6	178.7	-53.6	0	0	0	0	111.5	K46 D76 G79	K46-S82 PolarHBondContact NZ-OG 3.47Å; D76-S82 PolarHBondContact O-OG 3Å; G79-S82 PolarHBondContact O-N 3.34Å
83	N	67.3	Low	79.3	Confident	105 Å²	105	60.3 Å²	60.3	56%	0.561	30%	0.302	S	S	*	.	H	α-helix	trans	-87.3	-45.9	-174.1	-58.8	-20.2	0	0	0	113.5	D77 K78 G79 P80	D77-N83 PolarHBondContact O-OD1 2.93Å; K78-N83 PolarHBondContact O-ND2 3.2Å; G79-N83 PolarHBondContact O-N 3.11Å; G79-N83 PolarHBondContact O-ND2 2.89Å; P80-N83 PolarHBondContact O-N 3.27Å
84	E	73.8	Confident	79.5	Confident	87 Å²	87	59.7 Å²	59.7	41%	0.407	30%	0.299	S	S	.	.	H	α-helix	trans	-101.9	-17.7	-173.5	-54.5	-178.7	177.9	0	0	112.3	P80 P88 R92	P80-E84 WeakPolarHBondContact O-CB 3.44Å; P80-E84 PolarHBondContact O-N 3.41Å; E84-P88 HydrophobicContact CB-CB 3.88Å; E84-P88 HydrophobicContact CB-CG 4.28Å; E84-P88 WeakPolarHBondContact O-CD 3.36Å; E84-P88 VanDerWaalsContact O-CG 3.28Å; E84-P88 WeakPolarHBondContact O-CG 3.34Å; E84-R92 IonicContact OE1-NH1 2.84Å; E84-R92 PolarHBondContact OE1-NH1 2.75Å; E84-R92 IonicContact OE2-NH1 2.6Å
85	G	82.8	Confident	79.9	Confident	28 Å²	28	55.8 Å²	55.8	29%	0.289	28%	0.283	S	S	.	.			trans	80.3	174.4	-174.4	0	0	0	0	0	113.9	L81 M87 Y89	L81-G85 VanDerWaalsContact O-CA 3.24Å; L81-G85 WeakPolarHBondContact O-CA 3.43Å; L81-G85 PolarHBondContact O-N 3.04Å; L81-G85 VanDerWaalsContact O-N 3.13Å; G85-M87 PolarHBondContact O-N 3.22Å; G85-Y89 WeakPolarHBondContact O-CB 3.35Å; G85-Y89 PolarHBondContact O-N 3.34Å
86	Y	86.8	Confident	80.7	Confident	16 Å²	16	53.8 Å²	53.8	6%	0.063	28%	0.276	C	S	.	.	H	α-helix	trans	-69.3	-34.2	-169.2	-170.4	-110.7	0	0	0	114.4	F33 L49 L52 S53 L81 Y89 L90	F33-Y86 AromaticContact CD2-CD1 3.62Å; F33-Y86 HydrophobicContact CD2-CD1 3.62Å; F33-Y86 AromaticContact CD2-CE1 3.91Å; F33-Y86 HydrophobicContact CD2-CE1 3.91Å; F33-Y86 AromaticContact CE2-CD1 3.65Å; F33-Y86 HydrophobicContact CE2-CD1 3.65Å; F33-Y86 HydrophobicContact CE2-CE1 4.38Å; F33-Y86 HydrophobicContact CE2-CG 4.19Å; L49-Y86 HydrophobicContact CB-CD2 3.95Å; L49-Y86 HydrophobicContact CB-CE2 3.86Å; L49-Y86 HydrophobicContact CD1-CD2 3.81Å; L49-Y86 HydrophobicContact CD1-CG 3.97Å; L49-Y86 HydrophobicContact CD2-CD1 3.91Å; L49-Y86 HydrophobicContact CD2-CD2 3.78Å; L49-Y86 HydrophobicContact CD2-CE1 3.96Å; L49-Y86 HydrophobicContact CD2-CE2 3.83Å; L49-Y86 HydrophobicContact CD2-CG 3.81Å; L49-Y86 HydrophobicContact CG-CD2 4.05Å; L49-Y86 HydrophobicContact CG-CE2 4.27Å; L49-Y86 HydrophobicContact CG-CG 4.38Å; L52-Y86 HydrophobicContact CD2-CE1 4.34Å; S53-Y86 WeakPolarHBondContact OG-CE2 3.33Å; S53-Y86 PolarHBondContact OG-OH 2.79Å; L81-Y86 HydrophobicContact CD1-CD2 3.82Å; L81-Y86 HydrophobicContact CD1-CG 4.39Å; Y86-Y89 HydrophobicContact CD2-CD1 4.43Å; Y86-Y89 HydrophobicContact CE2-CD1 4.39Å; Y86-Y89 PolarHBondContact O-N 3.22Å; Y86-L90 HydrophobicContact CE1-CB 4.32Å; Y86-L90 HydrophobicContact CE1-CD2 4.22Å; Y86-L90 WeakPolarHBondContact O-CB 3.49Å; Y86-L90 PolarHBondContact O-N 2.84Å
87	M	87.4	Confident	81.4	Confident	63 Å²	63	55.4 Å²	55.4	31%	0.31	28%	0.281	S	S	.	.	H	α-helix	trans	-71.3	-46.3	-175.6	-66.6	-63.4	173.4	0	0	112.7	F33 G85 Y89 L90 N91	F33-M87 HydrophobicContact CD1-CE 4.28Å; F33-M87 HydrophobicContact CD2-CE 4.24Å; F33-M87 HydrophobicContact CE2-CE 4.45Å; F33-M87 HydrophobicContact CG-CE 4.15Å; G85-M87 PolarHBondContact O-N 3.22Å; M87-Y89 VanDerWaalsContact C-N 3.33Å; M87-Y89 PolarHBondContact O-N 3.39Å; M87-L90 PolarHBondContact O-N 2.82Å; M87-L90 HydrophobicContact SD-CD2 4.16Å; M87-N91 PolarHBondContact O-N 2.91Å; M87-N91 VanDerWaalsContact O-N 3.12Å; M87-N91 PolarHBondContact O-ND2 2.84Å
88	P	87.6	Confident	82.2	Confident	60 Å²	60	50.3 Å²	50.3	39%	0.39	25%	0.254	S	S	.	.	H	α-helix	trans	-60.2	-41.2	170.7	-28.3	39.5	0	0	0	112.8	E84 N91 R92	E84-P88 HydrophobicContact CB-CB 3.88Å; E84-P88 HydrophobicContact CB-CG 4.28Å; E84-P88 WeakPolarHBondContact O-CD 3.36Å; E84-P88 VanDerWaalsContact O-CG 3.28Å; E84-P88 WeakPolarHBondContact O-CG 3.34Å; P88-N91 PolarHBondContact O-N 2.92Å; P88-R92 WeakPolarHBondContact O-CB 3.38Å; P88-R92 PolarHBondContact O-N 2.76Å
89	Y	89.6	Confident	82.9	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.016	25%	0.25	C	C	.	.	H	α-helix	trans	-57.7	-51.7	175.2	179.5	-95.2	0	0	0	112.3	H72 F73 P80 G85 Y86 M87 N91 R92 Y93 I94	H72-Y89 HydrophobicContact CB-CE2 3.77Å; H72-Y89 AromaticContact CG-CE2 3.74Å; H72-Y89 AromaticContact ND1-CE2 3.44Å; H72-Y89 WeakPolarHBondContact ND1-CE2 3.5Å; H72-Y89 AromaticContact ND1-CZ 3.69Å; H72-Y89 PolarHBondContact ND1-OH 3.03Å; F73-Y89 AromaticContact CE2-CE1 3.99Å; F73-Y89 HydrophobicContact CE2-CE1 3.99Å; F73-Y89 AromaticContact CE2-CZ 3.92Å; F73-Y89 HydrophobicContact CZ-CD1 4.32Å; F73-Y89 AromaticContact CZ-CE1 3.59Å; F73-Y89 HydrophobicContact CZ-CE1 3.59Å; F73-Y89 AromaticContact CZ-CZ 4Å; P80-Y89 HydrophobicContact CB-CD2 4.26Å; P80-Y89 HydrophobicContact CG-CD2 4.02Å; P80-Y89 HydrophobicContact CG-CE2 4.14Å; G85-Y89 WeakPolarHBondContact O-CB 3.35Å; G85-Y89 PolarHBondContact O-N 3.34Å; Y86-Y89 HydrophobicContact CD2-CD1 4.43Å; Y86-Y89 HydrophobicContact CE2-CD1 4.39Å; Y86-Y89 PolarHBondContact O-N 3.22Å; M87-Y89 VanDerWaalsContact C-N 3.33Å; M87-Y89 PolarHBondContact O-N 3.39Å; Y89-N91 VanDerWaalsContact C-N 3.29Å; Y89-N91 PolarHBondContact O-N 2.72Å; Y89-R92 PolarHBondContact O-N 2.9Å; Y89-Y93 AromaticContact CD2-CD2 3.42Å; Y89-Y93 HydrophobicContact CD2-CD2 3.42Å; Y89-Y93 VanDerWaalsContact CD2-CD2 3.42Å; Y89-Y93 AromaticContact CD2-CE2 3.91Å; Y89-Y93 HydrophobicContact CD2-CE2 3.91Å; Y89-Y93 AromaticContact CD2-CG 3.86Å; Y89-Y93 HydrophobicContact CD2-CG 3.86Å; Y89-Y93 HydrophobicContact CE2-CD1 4.1Å; Y89-Y93 AromaticContact CE2-CD2 3.62Å; Y89-Y93 HydrophobicContact CE2-CD2 3.62Å; Y89-Y93 HydrophobicContact CE2-CE2 4.21Å; Y89-Y93 AromaticContact CE2-CG 3.55Å; Y89-Y93 HydrophobicContact CE2-CG 3.55Å; Y89-Y93 HydrophobicContact CG-CD2 4.19Å; Y89-Y93 WeakPolarHBondContact O-CB 3.16Å; Y89-Y93 PolarHBondContact O-N 2.97Å; Y89-I94 HydrophobicContact CE1-CD1 4.38Å
90	L	89.9	Confident	83.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.4	-42.1	179	175.2	66.1	0	0	0	112.1	L26 I29 L56 Y86 M87 I94 L95	L26-L90 HydrophobicContact CD1-CD2 3.82Å; I29-L90 HydrophobicContact CB-CD2 4.49Å; I29-L90 HydrophobicContact CD1-CD1 4.33Å; I29-L90 HydrophobicContact CG2-CD1 4.29Å; I29-L90 HydrophobicContact CG2-CD2 3.63Å; L56-L90 HydrophobicContact CD1-CD1 4Å; Y86-L90 HydrophobicContact CE1-CB 4.32Å; Y86-L90 HydrophobicContact CE1-CD2 4.22Å; Y86-L90 WeakPolarHBondContact O-CB 3.49Å; Y86-L90 PolarHBondContact O-N 2.84Å; M87-L90 PolarHBondContact O-N 2.82Å; M87-L90 HydrophobicContact SD-CD2 4.16Å; L90-I94 HydrophobicContact CD1-CB 4.23Å; L90-I94 HydrophobicContact CD1-CD1 4.04Å; L90-I94 HydrophobicContact CD1-CG2 4.47Å; L90-I94 WeakPolarHBondContact O-CB 3.35Å; L90-I94 PolarHBondContact O-N 3.42Å; L90-L95 HydrophobicContact CD2-CD1 4.44Å; L90-L95 HydrophobicContact CG-CD1 4.07Å; L90-L95 HydrophobicContact CG-CG 4.35Å; L90-L95 PolarHBondContact O-N 2.87Å
91	N	88.9	Confident	83.6	Confident	30 Å²	30	57.4 Å²	57.4	16%	0.16	29%	0.289	C	S	.	.	H	α-helix	trans	-63.5	-63.1	175.9	-78.2	-80.9	0	0	0	110.6	R22 M87 P88 Y89 Y93 L95 D96	R22-N91 VanDerWaalsContact CZ-OD1 3.31Å; R22-N91 PolarHBondContact NE-OD1 3.27Å; R22-N91 VanDerWaalsContact NE-OD1 3.14Å; R22-N91 PolarHBondContact NH2-OD1 3.18Å; M87-N91 PolarHBondContact O-N 2.91Å; M87-N91 VanDerWaalsContact O-N 3.12Å; M87-N91 PolarHBondContact O-ND2 2.84Å; P88-N91 PolarHBondContact O-N 2.92Å; Y89-N91 VanDerWaalsContact C-N 3.29Å; Y89-N91 PolarHBondContact O-N 2.72Å; N91-Y93 PolarHBondContact O-N 3.27Å; N91-L95 PolarHBondContact O-N 3.45Å; N91-D96 WeakPolarHBondContact O-CB 3.24Å; N91-D96 PolarHBondContact O-N 3.04Å
92	R	87.9	Confident	84.1	Confident	135 Å²	135	57.6 Å²	57.6	51%	0.509	29%	0.289	S	S	.	.	H	α-helix	trans	-68.9	-31.9	-168	-174.3	177.4	-178.2	-175.2	2.3	115	E84 P88 Y89 D96	E84-R92 IonicContact OE1-NH1 2.84Å; E84-R92 PolarHBondContact OE1-NH1 2.75Å; E84-R92 IonicContact OE2-NH1 2.6Å; P88-R92 WeakPolarHBondContact O-CB 3.38Å; P88-R92 PolarHBondContact O-N 2.76Å; Y89-R92 PolarHBondContact O-N 2.9Å; R92-D96 WeakPolarHBondContact CA-OD2 3.33Å
93	Y	86.8	Confident	84.8	Confident	52 Å²	52	59.1 Å²	59.1	20%	0.204	29%	0.294	C	S	.	.	H	α-helix	trans	-105.4	-17	-173.1	-68.9	-93.9	0	0	0	114.1	H72 P80 Y89 N91 K97	H72-Y93 AromaticContact CE1-CD1 3.42Å; H72-Y93 VanDerWaalsContact CE1-CD1 3.42Å; H72-Y93 WeakPolarHBondContact CE1-CD1 3.36Å; H72-Y93 AromaticContact CE1-CE1 3.42Å; H72-Y93 VanDerWaalsContact CE1-CE1 3.42Å; H72-Y93 WeakPolarHBondContact CE1-CE1 3.35Å; H72-Y93 AromaticContact NE2-CE1 3.61Å; P80-Y93 HydrophobicContact CB-CE2 4.08Å; P80-Y93 HydrophobicContact CG-CE2 4.32Å; Y89-Y93 AromaticContact CD2-CD2 3.42Å; Y89-Y93 HydrophobicContact CD2-CD2 3.42Å; Y89-Y93 VanDerWaalsContact CD2-CD2 3.42Å; Y89-Y93 AromaticContact CD2-CE2 3.91Å; Y89-Y93 HydrophobicContact CD2-CE2 3.91Å; Y89-Y93 AromaticContact CD2-CG 3.86Å; Y89-Y93 HydrophobicContact CD2-CG 3.86Å; Y89-Y93 HydrophobicContact CE2-CD1 4.1Å; Y89-Y93 AromaticContact CE2-CD2 3.62Å; Y89-Y93 HydrophobicContact CE2-CD2 3.62Å; Y89-Y93 HydrophobicContact CE2-CE2 4.21Å; Y89-Y93 AromaticContact CE2-CG 3.55Å; Y89-Y93 HydrophobicContact CE2-CG 3.55Å; Y89-Y93 HydrophobicContact CG-CD2 4.19Å; Y89-Y93 WeakPolarHBondContact O-CB 3.16Å; Y89-Y93 PolarHBondContact O-N 2.97Å; N91-Y93 PolarHBondContact O-N 3.27Å; Y93-K97 WeakPolarHBondContact O-CD 3.42Å
94	I	89.3	Confident	85.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-68.5	-177.8	-52.6	-175.2	0	0	0	110.2	L56 M60 I62 Y89 L90 D96 K97 V98	L56-I94 HydrophobicContact CB-CD1 4.5Å; L56-I94 HydrophobicContact CB-CG2 4.32Å; M60-I94 HydrophobicContact CE-CG2 3.47Å; M60-I94 VanDerWaalsContact CE-CG2 3.47Å; I62-I94 HydrophobicContact CD1-CB 4.38Å; I62-I94 HydrophobicContact CD1-CG2 3.54Å; I62-I94 WeakPolarHBondContact CD1-O 2.97Å; Y89-I94 HydrophobicContact CE1-CD1 4.38Å; L90-I94 HydrophobicContact CD1-CB 4.23Å; L90-I94 HydrophobicContact CD1-CD1 4.04Å; L90-I94 HydrophobicContact CD1-CG2 4.47Å; L90-I94 WeakPolarHBondContact O-CB 3.35Å; L90-I94 PolarHBondContact O-N 3.42Å; I94-D96 PolarHBondContact O-N 3.39Å; I94-K97 PolarHBondContact O-N 2.84Å; I94-V98 PolarHBondContact O-N 3.11Å
95	L	89.6	Confident	86.6	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.037	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-62.9	-41.5	-171.4	-65.3	172	0	0	0	113.2	R22 L25 L26 I29 L90 N91 K97 V98	R22-L95 HydrophobicContact CG-CB 4.06Å; R22-L95 HydrophobicContact CG-CD1 4.3Å; L25-L95 HydrophobicContact CB-CD2 4.15Å; L26-L95 HydrophobicContact CB-CD1 4.3Å; L26-L95 HydrophobicContact CD1-CD1 4.09Å; I29-L95 HydrophobicContact CD1-CD2 3.92Å; L90-L95 HydrophobicContact CD2-CD1 4.44Å; L90-L95 HydrophobicContact CG-CD1 4.07Å; L90-L95 HydrophobicContact CG-CG 4.35Å; L90-L95 PolarHBondContact O-N 2.87Å; N91-L95 PolarHBondContact O-N 3.45Å; L95-K97 PolarHBondContact O-N 3.13Å; L95-K97 VanDerWaalsContact O-N 3.09Å; L95-V98 WeakPolarHBondContact O-CB 3.39Å; L95-V98 WeakPolarHBondContact O-CG2 3.24Å; L95-V98 PolarHBondContact O-N 3.35Å
96	D	87.7	Confident	87.1	Confident	104 Å²	104	57.8 Å²	57.8	56%	0.556	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-68.1	-7.2	177.8	-62.8	-9.2	0	0	0	113.1	R22 N91 R92 I94	R22-D96 IonicContact NE-OD1 2.71Å; N91-D96 WeakPolarHBondContact O-CB 3.24Å; N91-D96 PolarHBondContact O-N 3.04Å; R92-D96 WeakPolarHBondContact CA-OD2 3.33Å; I94-D96 PolarHBondContact O-N 3.39Å
97	K	87.8	Confident	87.4	Confident	100 Å²	100	57 Å²	57	44%	0.435	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-109	-0.8	177	-59.2	-171.3	-173.4	170.3	0	114.1	I62 Y93 I94 L95	I62-K97 HydrophobicContact CG2-CB 3.87Å; I62-K97 HydrophobicContact CG2-CD 4.15Å; Y93-K97 WeakPolarHBondContact O-CD 3.42Å; I94-K97 PolarHBondContact O-N 2.84Å; L95-K97 PolarHBondContact O-N 3.13Å; L95-K97 VanDerWaalsContact O-N 3.09Å
98	V	86.7	Confident	87.8	Confident	25 Å²	25	55.1 Å²	55.1	15%	0.152	27%	0.268	C	S	.	.			trans	-63.5	137.2	179.3	173.7	0	0	0	0	110.3	L21 L25 M60 I62 I94 L95 F102	L21-V98 HydrophobicContact CD2-CG1 4.17Å; L25-V98 HydrophobicContact CD1-CG1 4.02Å; L25-V98 HydrophobicContact CD1-CG2 4.34Å; M60-V98 HydrophobicContact CE-CG2 4.4Å; M60-V98 HydrophobicContact SD-CG2 3.73Å; I62-V98 HydrophobicContact CD1-CG2 4.01Å; I94-V98 PolarHBondContact O-N 3.11Å; L95-V98 WeakPolarHBondContact O-CB 3.39Å; L95-V98 WeakPolarHBondContact O-CG2 3.24Å; L95-V98 PolarHBondContact O-N 3.35Å; V98-F102 HydrophobicContact CG1-CD1 4.39Å; V98-F102 HydrophobicContact CG1-CE1 3.55Å; V98-F102 HydrophobicContact CG1-CZ 4.19Å
99	Q	82.1	Confident	88.1	Confident	131 Å²	131	57.1 Å²	57.1	61%	0.612	27%	0.268	S	S	*	.			trans	-115.2	166.3	167.7	-57.6	-170.2	22.2	0	0	109	D101 F102	Q99-D101 PolarHBondContact O-N 2.86Å; Q99-F102 WeakPolarHBondContact O-CD1 3.03Å; Q99-F102 VanDerWaalsContact O-CE1 3.24Å; Q99-F102 WeakPolarHBondContact O-CE1 3.34Å
100	E	72.9	Confident	88.3	Confident	118 Å²	118	58.1 Å²	58.1	55%	0.551	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	11.6	-174.1	-68.7	171.4	-155.2	0	0	114	L21	L21-E100 HydrophobicContact CD2-CG 4.1Å
101	D	80.2	Confident	88.5	Confident	89 Å²	89	58.1 Å²	58.1	48%	0.476	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	5.4	-167.9	87.4	-63.9	0	0	0	115.4	K61 Q99	K61-D101 WeakPolarHBondContact CD-OD2 3.42Å; K61-D101 PolarHBondContact NZ-O 3.38Å; K61-D101 IonicContact NZ-OD2 3.3Å; K61-D101 PolarHBondContact NZ-OD2 2.86Å; Q99-D101 PolarHBondContact O-N 2.86Å
102	F	87.6	Confident	88.7	Confident	18 Å²	18	57.4 Å²	57.4	8%	0.079	27%	0.268	C	S	.	.	S	Bend	trans	-102.7	163.1	-176.6	71.4	-77.7	0	0	0	114.4	L25 V59 M60 K61 V98 Q99 V104 F107	L25-F102 HydrophobicContact CD1-CZ 4.06Å; L25-F102 HydrophobicContact CD2-CE2 4.28Å; L25-F102 HydrophobicContact CD2-CZ 3.94Å; V59-F102 WeakPolarHBondContact O-CB 3.47Å; M60-F102 HydrophobicContact CB-CD1 4.46Å; M60-F102 HydrophobicContact CB-CD2 4.41Å; M60-F102 HydrophobicContact CB-CG 4.36Å; M60-F102 HydrophobicContact CG-CD2 3.95Å; M60-F102 HydrophobicContact CG-CE1 4.46Å; M60-F102 HydrophobicContact CG-CE2 3.78Å; M60-F102 HydrophobicContact CG-CG 4.37Å; M60-F102 HydrophobicContact CG-CZ 4.06Å; M60-F102 HydrophobicContact SD-CZ 4.44Å; K61-F102 HydrophobicContact CD-CB 4.3Å; K61-F102 HydrophobicContact CG-CB 4.38Å; V98-F102 HydrophobicContact CG1-CD1 4.39Å; V98-F102 HydrophobicContact CG1-CE1 3.55Å; V98-F102 HydrophobicContact CG1-CZ 4.19Å; Q99-F102 WeakPolarHBondContact O-CD1 3.03Å; Q99-F102 VanDerWaalsContact O-CE1 3.24Å; Q99-F102 WeakPolarHBondContact O-CE1 3.34Å; F102-V104 HydrophobicContact CD2-CG2 4.44Å; F102-V104 HydrophobicContact CE2-CB 4.31Å; F102-V104 HydrophobicContact CE2-CG2 3.9Å; F102-V104 HydrophobicContact CZ-CG2 3.96Å; F102-V104 PolarHBondContact O-N 3.43Å; F102-F107 HydrophobicContact CD2-CB 4.16Å; F102-F107 HydrophobicContact CE2-CB 3.8Å; F102-F107 HydrophobicContact CE2-CG 4.15Å
103	D	87.6	Confident	88.9	Confident	69 Å²	69	54.7 Å²	54.7	37%	0.369	27%	0.266	S	S	.	.			trans	-79.3	101.7	170.5	-177.7	10.6	0	0	0	110.4	L105 E106 F107 R109	D103-L105 PolarHBondContact O-N 2.86Å; D103-L105 WeakPolarHBondContact OD1-CA 3.32Å; D103-L105 VanDerWaalsContact OD1-CB 3.28Å; D103-L105 WeakPolarHBondContact OD1-CB 3.32Å; D103-L105 PolarHBondContact OD1-N 3.47Å; D103-E106 HydrophobicContact CB-CB 3.86Å; D103-E106 WeakPolarHBondContact O-CB 3.4Å; D103-E106 PolarHBondContact O-N 3.02Å; D103-E106 PolarHBondContact OD2-N 3.37Å; D103-F107 PolarHBondContact O-N 3.33Å; D103-R109 IonicContact OD2-CZ 2.68Å; D103-R109 IonicContact OD2-NH2 2.62Å; D103-R109 PolarHBondContact OD2-NH2 3.12Å
104	V	89.1	Confident	89	Confident	48 Å²	48	55 Å²	55	29%	0.291	27%	0.271	S	S	.	.	H	α-helix	trans	-56.7	-29.6	174.9	-173.5	0	0	0	0	111.8	F102 Y108	F102-V104 HydrophobicContact CD2-CG2 4.44Å; F102-V104 HydrophobicContact CE2-CB 4.31Å; F102-V104 HydrophobicContact CE2-CG2 3.9Å; F102-V104 HydrophobicContact CZ-CG2 3.96Å; F102-V104 PolarHBondContact O-N 3.43Å; V104-Y108 HydrophobicContact CG1-CD2 4.01Å; V104-Y108 HydrophobicContact CG1-CE2 3.59Å; V104-Y108 WeakPolarHBondContact O-CB 3.35Å; V104-Y108 WeakPolarHBondContact O-CD2 3.49Å; V104-Y108 PolarHBondContact O-N 3.47Å
105	L	91.3	Very high	89	Confident	39 Å²	39	55 Å²	55	20%	0.204	27%	0.271	C	S	.	.	H	α-helix	trans	-75.1	-30.1	175.2	-56.1	-178.1	0	0	0	112.5	D103 Y108 R109 F220 I224 L225	D103-L105 PolarHBondContact O-N 2.86Å; D103-L105 WeakPolarHBondContact OD1-CA 3.32Å; D103-L105 VanDerWaalsContact OD1-CB 3.28Å; D103-L105 WeakPolarHBondContact OD1-CB 3.32Å; D103-L105 PolarHBondContact OD1-N 3.47Å; L105-Y108 HydrophobicContact CD2-CD2 4.36Å; L105-R109 VanDerWaalsContact C-CZ 3.49Å; L105-R109 VanDerWaalsContact O-CB 3.31Å; L105-R109 WeakPolarHBondContact O-CB 3.34Å; L105-R109 WeakPolarHBondContact O-CG 3.35Å; L105-R109 PolarHBondContact O-N 3.34Å; L105-R109 PolarHBondContact O-NE 2.92Å; L105-F220 HydrophobicContact CD2-CZ 3.97Å; L105-I224 HydrophobicContact CD2-CG2 4.48Å; L105-L225 HydrophobicContact CD1-CD2 3.79Å; L105-L225 HydrophobicContact CD2-CD2 3.87Å; L105-L225 HydrophobicContact CG-CD2 4.27Å
106	E	92.1	Very high	88.7	Confident	105 Å²	105	56.2 Å²	56.2	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-69.9	-41.3	172.5	-170.3	169.8	-158.3	0	0	110.5	V59 D103 R109 M110	V59-E106 HydrophobicContact CG1-CB 4.09Å; V59-E106 HydrophobicContact CG1-CG 3.93Å; D103-E106 HydrophobicContact CB-CB 3.86Å; D103-E106 WeakPolarHBondContact O-CB 3.4Å; D103-E106 PolarHBondContact O-N 3.02Å; D103-E106 PolarHBondContact OD2-N 3.37Å; E106-R109 VanDerWaalsContact N-NH2 3.19Å; E106-R109 PolarHBondContact O-N 3.35Å; E106-M110 PolarHBondContact O-N 3.41Å
107	F	94.1	Very high	88.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-57.7	-48.8	170.1	164.5	-90.1	0	0	0	112.3	L25 A28 I29 L56 V59 M60 F102 D103 R109 M110 C111	L25-F107 HydrophobicContact CB-CE1 4.18Å; L25-F107 HydrophobicContact CB-CZ 3.85Å; L25-F107 HydrophobicContact CD2-CD1 3.52Å; L25-F107 HydrophobicContact CD2-CD2 4.41Å; L25-F107 HydrophobicContact CD2-CE1 3.24Å; L25-F107 HydrophobicContact CD2-CE2 4.16Å; L25-F107 HydrophobicContact CD2-CG 4.12Å; L25-F107 HydrophobicContact CD2-CZ 3.58Å; L25-F107 HydrophobicContact CG-CE1 4.29Å; L25-F107 HydrophobicContact CG-CZ 4.29Å; L25-F107 WeakPolarHBondContact O-CZ 3.26Å; A28-F107 HydrophobicContact CB-CE1 3.66Å; A28-F107 HydrophobicContact CB-CZ 4.02Å; I29-F107 HydrophobicContact CD1-CE2 4.02Å; I29-F107 HydrophobicContact CD1-CZ 3.95Å; I29-F107 HydrophobicContact CG1-CE2 4.02Å; I29-F107 HydrophobicContact CG1-CZ 3.81Å; L56-F107 HydrophobicContact CD2-CD2 4.12Å; L56-F107 HydrophobicContact CD2-CE2 3.58Å; V59-F107 HydrophobicContact CG1-CB 3.97Å; M60-F107 HydrophobicContact CE-CD2 4.43Å; M60-F107 HydrophobicContact CE-CE2 4.2Å; M60-F107 HydrophobicContact CG-CD2 3.83Å; M60-F107 HydrophobicContact CG-CE2 4.4Å; M60-F107 HydrophobicContact SD-CD2 3.77Å; M60-F107 HydrophobicContact SD-CE2 3.73Å; F102-F107 HydrophobicContact CD2-CB 4.16Å; F102-F107 HydrophobicContact CE2-CB 3.8Å; F102-F107 HydrophobicContact CE2-CG 4.15Å; D103-F107 PolarHBondContact O-N 3.33Å; F107-R109 PolarHBondContact O-N 3.47Å; F107-M110 WeakPolarHBondContact O-CB 3.36Å; F107-M110 PolarHBondContact O-N 2.83Å; F107-C111 PolarHBondContact O-N 2.9Å; F107-C111 PolarHBondContact O-SG 2.74Å; F107-C111 VanDerWaalsContact O-SG 3.4Å
108	Y	94.6	Very high	87.6	Confident	23 Å²	23	59.6 Å²	59.6	9%	0.09	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-40.4	176.8	-75.2	-31.3	0	0	0	111.7	A28 V104 L105 M110 C111 W112 W136 I224	A28-Y108 HydrophobicContact CB-CD1 3.75Å; A28-Y108 HydrophobicContact CB-CE1 3.84Å; V104-Y108 HydrophobicContact CG1-CD2 4.01Å; V104-Y108 HydrophobicContact CG1-CE2 3.59Å; V104-Y108 WeakPolarHBondContact O-CB 3.35Å; V104-Y108 WeakPolarHBondContact O-CD2 3.49Å; V104-Y108 PolarHBondContact O-N 3.47Å; L105-Y108 HydrophobicContact CD2-CD2 4.36Å; Y108-M110 PolarHBondContact O-N 3.18Å; Y108-C111 PolarHBondContact O-N 3.14Å; Y108-W112 VanDerWaalsContact O-CB 3.22Å; Y108-W112 WeakPolarHBondContact O-CB 3.28Å; Y108-W112 PolarHBondContact O-N 3.13Å; Y108-W136 HydrophobicContact CD1-CH2 4.45Å; Y108-W136 HydrophobicContact CD1-CZ3 4.22Å; Y108-W136 HydrophobicContact CG-CZ3 4.35Å; Y108-I224 HydrophobicContact CE2-CG2 4.45Å
109	R	94.4	Very high	86.9	Confident	103 Å²	103	61.4 Å²	61.4	39%	0.389	29%	0.294	S	S	.	.	H	α-helix	trans	-60.7	-42.9	173.2	-78.1	179.6	-67.3	-101.4	0.4	111.6	D103 L105 E106 F107 W112 T113 F133	D103-R109 IonicContact OD2-CZ 2.68Å; D103-R109 IonicContact OD2-NH2 2.62Å; D103-R109 PolarHBondContact OD2-NH2 3.12Å; L105-R109 VanDerWaalsContact C-CZ 3.49Å; L105-R109 VanDerWaalsContact O-CB 3.31Å; L105-R109 WeakPolarHBondContact O-CB 3.34Å; L105-R109 WeakPolarHBondContact O-CG 3.35Å; L105-R109 PolarHBondContact O-N 3.34Å; L105-R109 PolarHBondContact O-NE 2.92Å; E106-R109 VanDerWaalsContact N-NH2 3.19Å; E106-R109 PolarHBondContact O-N 3.35Å; F107-R109 PolarHBondContact O-N 3.47Å; R109-W112 PolarHBondContact O-N 2.99Å; R109-T113 VanDerWaalsContact O-CG2 3.28Å; R109-T113 WeakPolarHBondContact O-CG2 3.36Å; R109-T113 PolarHBondContact O-N 2.77Å; R109-T113 PolarHBondContact O-OG1 3.19Å; R109-F133 HydrophobicContact CB-CZ 4.47Å; R109-F133 HydrophobicContact CG-CE1 3.94Å; R109-F133 HydrophobicContact CG-CE2 4.05Å; R109-F133 HydrophobicContact CG-CZ 3.59Å
110	M	93.9	Very high	86.6	Confident	25 Å²	25	56.3 Å²	56.3	12%	0.123	27%	0.271	C	S	.	.	H	α-helix	trans	-59.3	-52.4	175.9	-172.8	-138	66.5	0	0	110.9	L52 N55 L56 V59 E106 F107 Y108 W112 T113 L114	L52-M110 HydrophobicContact CD1-CE 4.12Å; N55-M110 HydrophobicContact CB-SD 3.62Å; L56-M110 HydrophobicContact CD2-CE 3.71Å; L56-M110 HydrophobicContact CG-CE 4.16Å; V59-M110 HydrophobicContact CG2-SD 4.4Å; E106-M110 PolarHBondContact O-N 3.41Å; F107-M110 WeakPolarHBondContact O-CB 3.36Å; F107-M110 PolarHBondContact O-N 2.83Å; Y108-M110 PolarHBondContact O-N 3.18Å; M110-W112 PolarHBondContact O-N 2.87Å; M110-T113 PolarHBondContact O-N 3.38Å; M110-T113 PolarHBondContact O-OG1 2.76Å; M110-L114 HydrophobicContact CE-CD1 4.48Å
111	C	94.2	Very high	86.3	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.6	-45.7	178	-65.7	0	0	0	0	112.2	A28 A32 F107 Y108 T113 L114 W136	A28-C111 HydrophobicContact CB-CB 4.05Å; A32-C111 HydrophobicContact CB-CB 4.45Å; F107-C111 PolarHBondContact O-N 2.9Å; F107-C111 PolarHBondContact O-SG 2.74Å; F107-C111 VanDerWaalsContact O-SG 3.4Å; Y108-C111 PolarHBondContact O-N 3.14Å; C111-T113 PolarHBondContact O-N 3.38Å; C111-L114 PolarHBondContact O-N 3.01Å; C111-W136 HydrophobicContact CB-CH2 3.84Å; C111-W136 HydrophobicContact CB-CZ2 4.48Å
112	W	93.8	Very high	85.3	Confident	14 Å²	14	58.6 Å²	58.6	5%	0.053	27%	0.273	C	S	.	.	H	α-helix	trans	-57.5	-47.4	176.7	171.6	-111.7	0	0	0	112.8	Y108 R109 M110 L114 C115 Y116 I120 A132 F133 W136 W192 I195	Y108-W112 VanDerWaalsContact O-CB 3.22Å; Y108-W112 WeakPolarHBondContact O-CB 3.28Å; Y108-W112 PolarHBondContact O-N 3.13Å; R109-W112 PolarHBondContact O-N 2.99Å; M110-W112 PolarHBondContact O-N 2.87Å; W112-L114 PolarHBondContact O-N 3.36Å; W112-L114 VanDerWaalsContact O-N 3.09Å; W112-C115 PolarHBondContact O-N 3.18Å; W112-C115 PolarHBondContact O-SG 3.06Å; W112-C115 VanDerWaalsContact O-SG 3.34Å; W112-Y116 AromaticContact CD1-CD1 3.69Å; W112-Y116 HydrophobicContact CD2-CD1 4.17Å; W112-Y116 HydrophobicContact CD2-CG 4.23Å; W112-Y116 VanDerWaalsContact CE2-CB 3.5Å; W112-Y116 AromaticContact CE2-CD1 3.85Å; W112-Y116 AromaticContact CE2-CG 3.75Å; W112-Y116 HydrophobicContact CG-CD1 4.13Å; W112-Y116 HydrophobicContact CZ2-CG 4.03Å; W112-Y116 AromaticContact NE1-CD1 3.48Å; W112-Y116 AromaticContact NE1-CG 3.82Å; W112-Y116 WeakPolarHBondContact O-CD1 3.33Å; W112-Y116 PolarHBondContact O-N 2.96Å; W112-I120 HydrophobicContact CH2-CD1 3.37Å; W112-I120 HydrophobicContact CZ2-CD1 3.95Å; W112-I120 HydrophobicContact CZ3-CD1 4.15Å; W112-A132 HydrophobicContact CH2-CB 3.93Å; W112-A132 WeakPolarHBondContact CH2-O 3.35Å; W112-A132 HydrophobicContact CZ2-CB 4.03Å; W112-F133 HydrophobicContact CB-CD2 3.73Å; W112-F133 HydrophobicContact CB-CE2 3.92Å; W112-F133 AromaticContact CD1-CD2 3.67Å; W112-F133 HydrophobicContact CD2-CB 4.29Å; W112-F133 AromaticContact CD2-CD2 3.88Å; W112-F133 HydrophobicContact CD2-CD2 3.88Å; W112-F133 AromaticContact CG-CD2 3.51Å; W112-F133 HydrophobicContact CG-CD2 3.51Å; W112-F133 HydrophobicContact CG-CE2 4.2Å; W112-F133 HydrophobicContact CG-CG 4.41Å; W112-F133 HydrophobicContact CZ2-CB 4.01Å; W112-W136 HydrophobicContact CB-CE3 4.3Å; W112-W136 HydrophobicContact CB-CZ3 4.22Å; W112-W136 HydrophobicContact CE3-CB 3.76Å; W112-W136 AromaticContact CE3-CD1 3.82Å; W112-W136 AromaticContact CE3-CD2 3.68Å; W112-W136 HydrophobicContact CE3-CD2 3.68Å; W112-W136 HydrophobicContact CE3-CE3 4.16Å; W112-W136 AromaticContact CE3-CG 3.46Å; W112-W136 HydrophobicContact CE3-CG 3.46Å; W112-W136 VanDerWaalsContact CE3-CG 3.46Å; W112-W136 HydrophobicContact CH2-CB 4.13Å; W112-W136 HydrophobicContact CZ3-CB 3.38Å; W112-W136 AromaticContact CZ3-CD1 3.68Å; W112-W136 HydrophobicContact CZ3-CD2 4.19Å; W112-W136 AromaticContact CZ3-CG 3.46Å; W112-W136 HydrophobicContact CZ3-CG 3.46Å; W112-W136 VanDerWaalsContact CZ3-CG 3.46Å; W112-W192 HydrophobicContact CZ3-CZ3 4.05Å; W112-I195 HydrophobicContact CH2-CD1 4.12Å; W112-I195 HydrophobicContact CZ3-CD1 4.17Å
113	T	91.6	Very high	84	Confident	78 Å²	78	67.1 Å²	67.1	48%	0.479	31%	0.313	S	S	.	.	H	α-helix	trans	-60.1	-23.8	-176.8	56.1	0	0	0	0	114.3	R109 M110 C111 Y116	R109-T113 VanDerWaalsContact O-CG2 3.28Å; R109-T113 WeakPolarHBondContact O-CG2 3.36Å; R109-T113 PolarHBondContact O-N 2.77Å; R109-T113 PolarHBondContact O-OG1 3.19Å; M110-T113 PolarHBondContact O-N 3.38Å; M110-T113 PolarHBondContact O-OG1 2.76Å; C111-T113 PolarHBondContact O-N 3.38Å; T113-Y116 HydrophobicContact CG2-CE1 4.48Å
114	L	89.1	Confident	83	Confident	58 Å²	58	72.5 Å²	72.5	30%	0.304	33%	0.328	S	S	.	.	H	α-helix	trans	-78.5	-34.2	175.7	-63.2	169.9	0	0	0	112.3	A32 A35 L52 M110 C111 W112	A32-L114 HydrophobicContact CB-CB 4.42Å; A32-L114 HydrophobicContact CB-CD1 3.8Å; A35-L114 WeakPolarHBondContact CB-O 3.38Å; L52-L114 HydrophobicContact CD1-CD1 3.8Å; M110-L114 HydrophobicContact CE-CD1 4.48Å; C111-L114 PolarHBondContact O-N 3.01Å; W112-L114 PolarHBondContact O-N 3.36Å; W112-L114 VanDerWaalsContact O-N 3.09Å
115	C	88.5	Confident	82.6	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.007	32%	0.321	C	S	.	.	H	α-helix	trans	-102.2	-35.2	-171	67.4	0	0	0	0	115.5	H31 A35 W112 K117 K118 N119 W192	H31-C115 HydrophobicContact CB-CB 4.39Å; A35-C115 HydrophobicContact CB-CB 3.77Å; W112-C115 PolarHBondContact O-N 3.18Å; W112-C115 PolarHBondContact O-SG 3.06Å; W112-C115 VanDerWaalsContact O-SG 3.34Å; C115-K117 PolarHBondContact O-N 3.24Å; C115-K118 PolarHBondContact O-N 3.23Å; C115-N119 PolarHBondContact O-ND2 3.32Å; C115-W192 HydrophobicContact CB-CH2 4.22Å; C115-W192 HydrophobicContact CB-CZ2 4.38Å
116	Y	83.9	Confident	82.2	Confident	32 Å²	32	73.3 Å²	73.3	13%	0.125	33%	0.33	C	S	.	.	H	α-helix	trans	-64.5	-40.9	-167.7	87.7	-99.3	0	0	0	113.5	W112 T113 K118 N119 I120	W112-Y116 AromaticContact CD1-CD1 3.69Å; W112-Y116 HydrophobicContact CD2-CD1 4.17Å; W112-Y116 HydrophobicContact CD2-CG 4.23Å; W112-Y116 VanDerWaalsContact CE2-CB 3.5Å; W112-Y116 AromaticContact CE2-CD1 3.85Å; W112-Y116 AromaticContact CE2-CG 3.75Å; W112-Y116 HydrophobicContact CG-CD1 4.13Å; W112-Y116 HydrophobicContact CZ2-CG 4.03Å; W112-Y116 AromaticContact NE1-CD1 3.48Å; W112-Y116 AromaticContact NE1-CG 3.82Å; W112-Y116 WeakPolarHBondContact O-CD1 3.33Å; W112-Y116 PolarHBondContact O-N 2.96Å; T113-Y116 HydrophobicContact CG2-CE1 4.48Å; Y116-K118 PolarHBondContact O-N 3.39Å; Y116-K118 VanDerWaalsContact O-N 3.12Å; Y116-N119 PolarHBondContact O-N 3.4Å; Y116-N119 VanDerWaalsContact O-N 3.1Å; Y116-I120 PolarHBondContact O-N 3.22Å; Y116-I120 VanDerWaalsContact O-N 3.08Å
117	K	76.9	Confident	82	Confident	156 Å²	156	69 Å²	69	68%	0.678	31%	0.309	S	S	*	.	H	α-helix	trans	-62.6	-22.8	-174	-69.4	-174.1	179.8	178.1	0	114.2	C115	C115-K117 PolarHBondContact O-N 3.24Å
118	K	74.4	Confident	81.9	Confident	120 Å²	120	70.5 Å²	70.5	52%	0.522	32%	0.32	S	S	.	.	H	α-helix	trans	-87.5	-20.4	179.9	-67.1	-171.9	174.5	-172	0	113.3	A35 C115 Y116	A35-K118 PolarHBondContact O-NZ 3.45Å; C115-K118 PolarHBondContact O-N 3.23Å; Y116-K118 PolarHBondContact O-N 3.39Å; Y116-K118 VanDerWaalsContact O-N 3.12Å
119	N	73.6	Confident	81.6	Confident	63 Å²	63	72.3 Å²	72.3	34%	0.337	33%	0.332	S	S	.	.	H	α-helix	trans	-123.1	-12.6	-164.4	-59.8	-72.9	0	0	0	114.4	C115 Y116 W192	C115-N119 PolarHBondContact O-ND2 3.32Å; Y116-N119 PolarHBondContact O-N 3.4Å; Y116-N119 VanDerWaalsContact O-N 3.1Å; N119-W192 HydrophobicContact CB-CD2 3.46Å; N119-W192 VanDerWaalsContact CB-CD2 3.46Å; N119-W192 HydrophobicContact CB-CE3 3.75Å; N119-W192 HydrophobicContact CB-CG 4.04Å; N119-W192 HydrophobicContact CB-CH2 3.92Å; N119-W192 HydrophobicContact CB-CZ2 3.62Å; N119-W192 HydrophobicContact CB-CZ3 3.97Å; N119-W192 WeakPolarHBondContact ND2-CZ2 3.27Å
120	I	74.2	Confident	81.5	Confident	23 Å²	23	70 Å²	70	12%	0.118	33%	0.334	C	S	.	.			trans	-105.4	111.9	-177.8	-61.4	-175.1	0	0	0	111.9	W112 Y116 R122 L125 A132 W192 I195	W112-I120 HydrophobicContact CH2-CD1 3.37Å; W112-I120 HydrophobicContact CZ2-CD1 3.95Å; W112-I120 HydrophobicContact CZ3-CD1 4.15Å; Y116-I120 PolarHBondContact O-N 3.22Å; Y116-I120 VanDerWaalsContact O-N 3.08Å; I120-R122 HydrophobicContact CG2-CG 4.34Å; I120-R122 PolarHBondContact O-N 2.98Å; I120-R122 VanDerWaalsContact O-N 3.08Å; I120-L125 HydrophobicContact CG2-CD1 3.82Å; I120-A132 HydrophobicContact CD1-CB 4.28Å; I120-W192 HydrophobicContact CD1-CE3 4.34Å; I120-W192 HydrophobicContact CD1-CZ3 4.03Å; I120-W192 HydrophobicContact CG1-CE3 3.9Å; I120-W192 HydrophobicContact CG1-CZ3 3.89Å; I120-I195 HydrophobicContact CD1-CD1 4.3Å; I120-I195 HydrophobicContact CD1-CG2 4.34Å
121	H	67.3	Low	81.5	Confident	124 Å²	124	69 Å²	69	57%	0.574	33%	0.33	S	S	*	.			trans	-83.4	75.8	173.1	-61.9	-55.5	0	0	0	111.5	H123 R124	H121-H123 PolarHBondContact O-N 2.84Å; H121-R124 PolarHBondContact O-N 2.73Å; H121-R124 VanDerWaalsContact O-N 3.07Å
122	R	60.4	Low	81.5	Confident	132 Å²	132	69.1 Å²	69.1	50%	0.498	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-41.8	-32.4	-175.7	-75.2	-178.9	172.7	151.2	-8.7	116.3	I120 R124 L125 D129	I120-R122 HydrophobicContact CG2-CG 4.34Å; I120-R122 PolarHBondContact O-N 2.98Å; I120-R122 VanDerWaalsContact O-N 3.08Å; R122-R124 PolarHBondContact O-N 3.28Å; R122-R124 VanDerWaalsContact O-N 3.08Å; R122-L125 PolarHBondContact O-N 2.72Å; R122-D129 IonicContact CZ-OD1 3.26Å; R122-D129 IonicContact CZ-OD2 2.95Å; R122-D129 VanDerWaalsContact CZ-OD2 3.3Å; R122-D129 IonicContact NE-OD1 2.99Å; R122-D129 PolarHBondContact NE-OD1 3.12Å; R122-D129 IonicContact NE-OD2 3.72Å; R122-D129 PolarHBondContact NE-OD2 3.13Å; R122-D129 IonicContact NH2-OD1 3.34Å; R122-D129 PolarHBondContact NH2-OD1 3.27Å; R122-D129 IonicContact NH2-OD2 2.68Å; R122-D129 PolarHBondContact NH2-OD2 2.91Å
123	H	58.7	Low	81.6	Confident	197 Å²	197	69.5 Å²	69.5	91%	0.912	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-67.5	-1.7	-178.8	-62.4	-69.2	0	0	0	115.3	H121	H121-H123 PolarHBondContact O-N 2.84Å
124	R	67.9	Low	81.8	Confident	182 Å²	182	66.9 Å²	66.9	69%	0.687	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-113.2	-4.6	178.7	-69.3	-176.7	172.9	177.8	-3.2	115.2	H121 R122	H121-R124 PolarHBondContact O-N 2.73Å; H121-R124 VanDerWaalsContact O-N 3.07Å; R122-R124 PolarHBondContact O-N 3.28Å; R122-R124 VanDerWaalsContact O-N 3.08Å
125	L	80.1	Confident	82.2	Confident	28 Å²	28	64.1 Å²	64.1	15%	0.147	30%	0.3	C	S	.	.			trans	-114.9	137.4	-169.2	-52.8	-178	0	0	0	112.1	I120 R122 I127 I195 E196 V200	I120-L125 HydrophobicContact CG2-CD1 3.82Å; R122-L125 PolarHBondContact O-N 2.72Å; L125-I127 HydrophobicContact CB-CG1 4.21Å; L125-I195 HydrophobicContact CD1-CG2 3.89Å; L125-E196 HydrophobicContact CD2-CB 4.44Å; L125-E196 HydrophobicContact CD2-CG 4.23Å; L125-V200 HydrophobicContact CD2-CG2 4.25Å
126	I	82.6	Confident	82.5	Confident	76 Å²	76	64.1 Å²	64.1	39%	0.39	30%	0.3	S	S	.	.	S	Bend	trans	-82.8	-33.7	176.7	-64.4	170.2	0	0	0	110.8	G199 I201 R209	I126-G199 PolarHBondContact N-O 2.63Å; I126-I201 HydrophobicContact CB-CD1 4.25Å; I126-I201 HydrophobicContact CD1-CD1 3.67Å; I126-I201 HydrophobicContact CD1-CG1 4.03Å; I126-I201 HydrophobicContact CG2-CD1 4.09Å; I126-R209 HydrophobicContact CG2-CB 3.94Å; I126-R209 HydrophobicContact CG2-CG 3.89Å; I126-R209 WeakPolarHBondContact O-CD 3.15Å; I126-R209 PolarHBondContact O-NE 3.37Å
127	I	88.7	Confident	83.1	Confident	13 Å²	13	62.7 Å²	62.7	7%	0.067	30%	0.295	C	S	.	.	S	Bend	trans	-64.4	153.5	177	60.5	174.7	0	0	0	112.8	L125 D131 A132 I195 V198 L212 I216	L125-I127 HydrophobicContact CB-CG1 4.21Å; I127-D131 HydrophobicContact CB-CB 4.01Å; I127-A132 HydrophobicContact CD1-CB 4.18Å; I127-I195 HydrophobicContact CD1-CG2 4.3Å; I127-V198 HydrophobicContact CG2-CG1 4.5Å; I127-L212 HydrophobicContact CG2-CD2 3.56Å; I127-L212 HydrophobicContact CG2-CG 4.07Å; I127-I216 HydrophobicContact CG2-CD1 3.83Å
128	S	90.4	Very high	84.1	Confident	33 Å²	33	55.2 Å²	55.2	23%	0.231	26%	0.262	C	S	.	.			trans	-80.8	164.4	176.1	76	0	0	0	0	112.5	A130 D131 A132	S128-A130 PolarHBondContact O-N 2.83Å; S128-A130 PolarHBondContact OG-N 3.12Å; S128-D131 VanDerWaalsContact CB-OD2 3.31Å; S128-D131 WeakPolarHBondContact CB-OD2 3.42Å; S128-D131 PolarHBondContact N-OD2 3.28Å; S128-D131 VanDerWaalsContact N-OD2 3.08Å; S128-D131 PolarHBondContact O-N 3.11Å; S128-D131 VanDerWaalsContact OG-CG 3.22Å; S128-D131 PolarHBondContact OG-N 3.26Å; S128-D131 PolarHBondContact OG-OD2 3.48Å; S128-A132 PolarHBondContact O-N 2.9Å
129	D	89.8	Confident	85.1	Confident	61 Å²	61	49.5 Å²	49.5	33%	0.326	24%	0.238	S	C	.	.	H	α-helix	trans	-53.9	-34.1	170.7	-69.4	-36.7	0	0	0	112.2	R122 F133	R122-D129 IonicContact CZ-OD1 3.26Å; R122-D129 IonicContact CZ-OD2 2.95Å; R122-D129 VanDerWaalsContact CZ-OD2 3.3Å; R122-D129 IonicContact NE-OD1 2.99Å; R122-D129 PolarHBondContact NE-OD1 3.12Å; R122-D129 IonicContact NE-OD2 3.72Å; R122-D129 PolarHBondContact NE-OD2 3.13Å; R122-D129 IonicContact NH2-OD1 3.34Å; R122-D129 PolarHBondContact NH2-OD1 3.27Å; R122-D129 IonicContact NH2-OD2 2.68Å; R122-D129 PolarHBondContact NH2-OD2 2.91Å; D129-F133 WeakPolarHBondContact O-CB 3.34Å; D129-F133 PolarHBondContact O-N 3.08Å
130	A	92.4	Very high	86.2	Confident	54 Å²	54	46.6 Å²	46.6	45%	0.446	22%	0.222	S	C	.	.	H	α-helix	trans	-73	-30.5	178.9	0	0	0	0	0	112	S128 K134	S128-A130 PolarHBondContact O-N 2.83Å; S128-A130 PolarHBondContact OG-N 3.12Å; A130-K134 WeakPolarHBondContact O-CE 3.28Å; A130-K134 WeakPolarHBondContact O-CG 3.36Å; A130-K134 PolarHBondContact O-N 2.91Å
131	D	93.6	Very high	87.1	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-78.4	-40.2	174	-55.4	-51	0	0	0	111	I127 S128 F133 K134 V135 S213 I216	I127-D131 HydrophobicContact CB-CB 4.01Å; S128-D131 VanDerWaalsContact CB-OD2 3.31Å; S128-D131 WeakPolarHBondContact CB-OD2 3.42Å; S128-D131 PolarHBondContact N-OD2 3.28Å; S128-D131 VanDerWaalsContact N-OD2 3.08Å; S128-D131 PolarHBondContact O-N 3.11Å; S128-D131 VanDerWaalsContact OG-CG 3.22Å; S128-D131 PolarHBondContact OG-N 3.26Å; S128-D131 PolarHBondContact OG-OD2 3.48Å; D131-F133 PolarHBondContact O-N 3.4Å; D131-K134 WeakPolarHBondContact O-CA 3.24Å; D131-K134 WeakPolarHBondContact O-CB 3.41Å; D131-K134 PolarHBondContact O-N 2.89Å; D131-K134 IonicContact OD1-NZ 2.64Å; D131-K134 PolarHBondContact OD1-NZ 3.22Å; D131-V135 WeakPolarHBondContact O-CG2 3.48Å; D131-V135 PolarHBondContact O-N 3.11Å; D131-S213 PolarHBondContact OD1-OG 2.97Å; D131-S213 PolarHBondContact OD2-OG 3.08Å; D131-I216 HydrophobicContact CB-CD1 4.12Å; D131-I216 HydrophobicContact CB-CG2 4.36Å
132	A	93.8	Very high	88.4	Confident	3 Å²	3	40 Å²	40	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-36.9	172.3	0	0	0	0	0	111.8	W112 I120 I127 S128 V135 W136 I195	W112-A132 HydrophobicContact CH2-CB 3.93Å; W112-A132 WeakPolarHBondContact CH2-O 3.35Å; W112-A132 HydrophobicContact CZ2-CB 4.03Å; I120-A132 HydrophobicContact CD1-CB 4.28Å; I127-A132 HydrophobicContact CD1-CB 4.18Å; S128-A132 PolarHBondContact O-N 2.9Å; A132-V135 PolarHBondContact O-N 2.96Å; A132-W136 WeakPolarHBondContact O-CB 3.24Å; A132-W136 PolarHBondContact O-N 2.9Å; A132-I195 HydrophobicContact CB-CG2 4.12Å
133	F	95.4	Very high	90.1	Very high	21 Å²	21	33.7 Å²	33.7	9%	0.092	17%	0.167	C	C	.	.	H	α-helix	trans	-61.8	-41.8	170.8	171.1	-112.4	0	0	0	113	R109 W112 D129 D131 W136 C137	R109-F133 HydrophobicContact CB-CZ 4.47Å; R109-F133 HydrophobicContact CG-CE1 3.94Å; R109-F133 HydrophobicContact CG-CE2 4.05Å; R109-F133 HydrophobicContact CG-CZ 3.59Å; W112-F133 HydrophobicContact CB-CD2 3.73Å; W112-F133 HydrophobicContact CB-CE2 3.92Å; W112-F133 AromaticContact CD1-CD2 3.67Å; W112-F133 HydrophobicContact CD2-CB 4.29Å; W112-F133 AromaticContact CD2-CD2 3.88Å; W112-F133 HydrophobicContact CD2-CD2 3.88Å; W112-F133 AromaticContact CG-CD2 3.51Å; W112-F133 HydrophobicContact CG-CD2 3.51Å; W112-F133 HydrophobicContact CG-CE2 4.2Å; W112-F133 HydrophobicContact CG-CG 4.41Å; W112-F133 HydrophobicContact CZ2-CB 4.01Å; D129-F133 WeakPolarHBondContact O-CB 3.34Å; D129-F133 PolarHBondContact O-N 3.08Å; D131-F133 PolarHBondContact O-N 3.4Å; F133-W136 HydrophobicContact CD2-CE3 4.19Å; F133-W136 HydrophobicContact CE2-CE3 4.14Å; F133-W136 HydrophobicContact CE2-CZ3 4.21Å; F133-W136 PolarHBondContact O-N 3.32Å; F133-C137 PolarHBondContact O-N 3.09Å; F133-C137 PolarHBondContact O-SG 3.42Å
134	K	96.6	Very high	91.7	Very high	24 Å²	24	26.1 Å²	26.1	10%	0.104	13%	0.132	C	C	.	.	H	α-helix	trans	-65.6	-44.4	176.4	-64.4	162.1	-151	162.3	0	111	A130 D131 W136 C137 I138 I216 N217 F220	A130-K134 WeakPolarHBondContact O-CE 3.28Å; A130-K134 WeakPolarHBondContact O-CG 3.36Å; A130-K134 PolarHBondContact O-N 2.91Å; D131-K134 WeakPolarHBondContact O-CA 3.24Å; D131-K134 WeakPolarHBondContact O-CB 3.41Å; D131-K134 PolarHBondContact O-N 2.89Å; D131-K134 IonicContact OD1-NZ 2.64Å; D131-K134 PolarHBondContact OD1-NZ 3.22Å; K134-W136 VanDerWaalsContact C-N 3.31Å; K134-W136 PolarHBondContact O-N 3.48Å; K134-C137 PolarHBondContact O-N 2.85Å; K134-I138 VanDerWaalsContact O-CG1 3.32Å; K134-I138 WeakPolarHBondContact O-CG1 3.46Å; K134-I138 PolarHBondContact O-N 3.36Å; K134-I216 HydrophobicContact CB-CG2 3.7Å; K134-I216 HydrophobicContact CD-CG2 3.93Å; K134-I216 HydrophobicContact CG-CG2 4.48Å; K134-N217 WeakPolarHBondContact CE-OD1 3.44Å; K134-N217 VanDerWaalsContact NZ-CG 3.33Å; K134-N217 PolarHBondContact NZ-ND2 2.86Å; K134-N217 PolarHBondContact NZ-OD1 3.49Å; K134-F220 HydrophobicContact CB-CB 4.05Å; K134-F220 HydrophobicContact CB-CD2 3.61Å; K134-F220 HydrophobicContact CB-CE2 4.2Å; K134-F220 HydrophobicContact CB-CG 3.88Å; K134-F220 HydrophobicContact CD-CB 4.49Å; K134-F220 HydrophobicContact CD-CG 4.4Å; K134-F220 HydrophobicContact CG-CB 4.23Å; K134-F220 HydrophobicContact CG-CD1 4.09Å; K134-F220 HydrophobicContact CG-CD2 3.78Å; K134-F220 HydrophobicContact CG-CE1 4.39Å; K134-F220 HydrophobicContact CG-CE2 4.1Å; K134-F220 HydrophobicContact CG-CG 3.78Å; K134-F220 HydrophobicContact CG-CZ 4.39Å
135	V	95.9	Very high	92.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.7	-38.2	174.9	177.6	0	0	0	0	111.2	D131 A132 I138 F139 F159 L194 I195 V198 I216	D131-V135 WeakPolarHBondContact O-CG2 3.48Å; D131-V135 PolarHBondContact O-N 3.11Å; A132-V135 PolarHBondContact O-N 2.96Å; V135-I138 PolarHBondContact O-N 3.48Å; V135-F139 WeakPolarHBondContact O-CB 3.44Å; V135-F139 PolarHBondContact O-N 3.23Å; V135-F159 HydrophobicContact CG1-CE1 4.17Å; V135-F159 HydrophobicContact CG1-CZ 4.41Å; V135-F159 HydrophobicContact CG2-CZ 4.3Å; V135-L194 HydrophobicContact CG1-CD2 4.28Å; V135-L194 HydrophobicContact CG1-CG 4.27Å; V135-I195 HydrophobicContact CB-CG1 4.2Å; V135-I195 HydrophobicContact CG1-CG1 3.78Å; V135-V198 HydrophobicContact CG1-CG2 4.41Å; V135-V198 HydrophobicContact CG2-CG1 4.2Å; V135-I216 HydrophobicContact CG2-CD1 4.16Å; V135-I216 HydrophobicContact CG2-CG1 4.48Å; V135-I216 HydrophobicContact CG2-CG2 4.08Å
136	W	96.2	Very high	92.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-39.8	173.1	179.1	85.3	0	0	0	112.9	A28 H31 Y108 C111 W112 A132 F133 K134 F139 N140 V191 I195	A28-W136 HydrophobicContact CB-CH2 3.73Å; A28-W136 HydrophobicContact CB-CZ2 4.31Å; H31-W136 HydrophobicContact CB-CZ2 3.98Å; H31-W136 AromaticContact CD2-CE2 3.81Å; H31-W136 AromaticContact CD2-CZ2 3.77Å; H31-W136 AromaticContact CD2-NE1 3.36Å; H31-W136 PolarHBondContact CD2-NE1 3.17Å; H31-W136 AromaticContact CG-NE1 3.65Å; H31-W136 AromaticContact NE2-NE1 3.69Å; Y108-W136 HydrophobicContact CD1-CH2 4.45Å; Y108-W136 HydrophobicContact CD1-CZ3 4.22Å; Y108-W136 HydrophobicContact CG-CZ3 4.35Å; C111-W136 HydrophobicContact CB-CH2 3.84Å; C111-W136 HydrophobicContact CB-CZ2 4.48Å; W112-W136 HydrophobicContact CB-CE3 4.3Å; W112-W136 HydrophobicContact CB-CZ3 4.22Å; W112-W136 HydrophobicContact CE3-CB 3.76Å; W112-W136 AromaticContact CE3-CD1 3.82Å; W112-W136 AromaticContact CE3-CD2 3.68Å; W112-W136 HydrophobicContact CE3-CD2 3.68Å; W112-W136 HydrophobicContact CE3-CE3 4.16Å; W112-W136 AromaticContact CE3-CG 3.46Å; W112-W136 HydrophobicContact CE3-CG 3.46Å; W112-W136 VanDerWaalsContact CE3-CG 3.46Å; W112-W136 HydrophobicContact CH2-CB 4.13Å; W112-W136 HydrophobicContact CZ3-CB 3.38Å; W112-W136 AromaticContact CZ3-CD1 3.68Å; W112-W136 HydrophobicContact CZ3-CD2 4.19Å; W112-W136 AromaticContact CZ3-CG 3.46Å; W112-W136 HydrophobicContact CZ3-CG 3.46Å; W112-W136 VanDerWaalsContact CZ3-CG 3.46Å; A132-W136 WeakPolarHBondContact O-CB 3.24Å; A132-W136 PolarHBondContact O-N 2.9Å; F133-W136 HydrophobicContact CD2-CE3 4.19Å; F133-W136 HydrophobicContact CE2-CE3 4.14Å; F133-W136 HydrophobicContact CE2-CZ3 4.21Å; F133-W136 PolarHBondContact O-N 3.32Å; K134-W136 VanDerWaalsContact C-N 3.31Å; K134-W136 PolarHBondContact O-N 3.48Å; W136-F139 WeakPolarHBondContact O-CB 3.37Å; W136-F139 PolarHBondContact O-N 3.41Å; W136-N140 VanDerWaalsContact CH2-ND2 3.28Å; W136-N140 WeakPolarHBondContact CH2-ND2 3.21Å; W136-N140 VanDerWaalsContact CZ2-ND2 3.33Å; W136-N140 WeakPolarHBondContact CZ2-ND2 3.35Å; W136-N140 WeakPolarHBondContact CZ3-ND2 3.38Å; W136-N140 PolarHBondContact O-N 3.18Å; W136-N140 PolarHBondContact O-ND2 3Å; W136-V191 HydrophobicContact CB-CG2 4.23Å; W136-V191 VanDerWaalsContact CD1-CG2 3.44Å; W136-V191 HydrophobicContact CG-CG2 4.13Å; W136-I195 HydrophobicContact CB-CD1 4.22Å
137	C	96.5	Very high	93.1	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.014	15%	0.146	C	C	.	.	H	α-helix	trans	-66.2	-42.5	173.2	-63.8	0	0	0	0	112.1	F133 K134 F139 N140 F141 F220 I224	F133-C137 PolarHBondContact O-N 3.09Å; F133-C137 PolarHBondContact O-SG 3.42Å; K134-C137 PolarHBondContact O-N 2.85Å; C137-F139 VanDerWaalsContact C-N 3.32Å; C137-F139 PolarHBondContact O-N 3.49Å; C137-N140 PolarHBondContact O-N 2.97Å; C137-F141 PolarHBondContact O-N 3.34Å; C137-F220 HydrophobicContact CB-CD2 4.23Å; C137-F220 HydrophobicContact CB-CE2 3.74Å; C137-I224 HydrophobicContact CB-CD1 4.29Å; C137-I224 HydrophobicContact CB-CG1 4.07Å; C137-I224 HydrophobicContact CB-CG2 4.17Å; C137-I224 WeakPolarHBondContact O-CD1 3.37Å
138	I	96.9	Very high	93.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.4	-40.6	174.5	-66.8	162.8	0	0	0	110.7	K134 V135 F141 L142 F159 V219 F220 L223 I224	K134-I138 VanDerWaalsContact O-CG1 3.32Å; K134-I138 WeakPolarHBondContact O-CG1 3.46Å; K134-I138 PolarHBondContact O-N 3.36Å; V135-I138 PolarHBondContact O-N 3.48Å; I138-F141 PolarHBondContact O-N 3.17Å; I138-L142 HydrophobicContact CG2-CD1 3.77Å; I138-L142 HydrophobicContact CG2-CG 4.34Å; I138-L142 WeakPolarHBondContact O-CB 3.39Å; I138-L142 WeakPolarHBondContact O-CG 3.25Å; I138-L142 PolarHBondContact O-N 3.31Å; I138-F159 HydrophobicContact CD1-CE2 3.87Å; I138-F159 HydrophobicContact CD1-CZ 4.22Å; I138-F159 HydrophobicContact CG2-CD1 4.26Å; I138-F159 HydrophobicContact CG2-CD2 3.75Å; I138-F159 HydrophobicContact CG2-CE1 4.35Å; I138-F159 HydrophobicContact CG2-CE2 3.88Å; I138-F159 HydrophobicContact CG2-CG 3.98Å; I138-F159 HydrophobicContact CG2-CZ 4.18Å; I138-V219 HydrophobicContact CD1-CG1 4.13Å; I138-F220 HydrophobicContact CD1-CB 4.14Å; I138-L223 HydrophobicContact CG2-CD1 4.36Å; I138-I224 HydrophobicContact CG1-CD1 4.47Å; I138-I224 HydrophobicContact CG1-CG1 3.99Å
139	F	96.8	Very high	93.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59	-50.8	171.7	172	-87	0	0	0	111.7	H31 V135 W136 C137 F141 L142 S143 L149 I151 V191 L194	H31-F139 AromaticContact NE2-CE1 3.67Å; V135-F139 WeakPolarHBondContact O-CB 3.44Å; V135-F139 PolarHBondContact O-N 3.23Å; W136-F139 WeakPolarHBondContact O-CB 3.37Å; W136-F139 PolarHBondContact O-N 3.41Å; C137-F139 VanDerWaalsContact C-N 3.32Å; C137-F139 PolarHBondContact O-N 3.49Å; F139-F141 PolarHBondContact O-N 3.44Å; F139-L142 CarbonylContact O-C 3.54Å; F139-L142 PolarHBondContact O-N 2.87Å; F139-S143 WeakPolarHBondContact O-CA 3.39Å; F139-S143 WeakPolarHBondContact O-CB 3.2Å; F139-S143 PolarHBondContact O-N 3.17Å; F139-S143 PolarHBondContact O-OG 3.46Å; F139-L149 HydrophobicContact CE1-CB 3.84Å; F139-L149 HydrophobicContact CE1-CD1 4.47Å; F139-L149 HydrophobicContact CZ-CB 3.99Å; F139-I151 HydrophobicContact CD2-CB 3.9Å; F139-I151 HydrophobicContact CD2-CG2 3.76Å; F139-I151 HydrophobicContact CE2-CB 3.79Å; F139-I151 HydrophobicContact CE2-CG2 3.7Å; F139-V191 HydrophobicContact CB-CB 4.26Å; F139-V191 HydrophobicContact CB-CG2 3.5Å; F139-V191 HydrophobicContact CD1-CB 3.49Å; F139-V191 VanDerWaalsContact CD1-CB 3.49Å; F139-V191 HydrophobicContact CD1-CG2 3.52Å; F139-V191 HydrophobicContact CD2-CB 3.76Å; F139-V191 HydrophobicContact CD2-CG2 3.96Å; F139-V191 HydrophobicContact CE1-CB 3.67Å; F139-V191 HydrophobicContact CE1-CG2 4.23Å; F139-V191 HydrophobicContact CE2-CB 3.91Å; F139-V191 VanDerWaalsContact CE2-N 3.32Å; F139-V191 HydrophobicContact CG-CB 3.55Å; F139-V191 HydrophobicContact CG-CG2 3.36Å; F139-V191 HydrophobicContact CZ-CB 3.87Å; F139-L194 HydrophobicContact CB-CD2 4.07Å; F139-L194 HydrophobicContact CD2-CD2 4.13Å
140	N	95.3	Very high	93.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-55.1	-46.1	179.6	-68.3	-27.3	0	0	0	110.4	K27 H31 W136 C137 L142 S143	K27-N140 VanDerWaalsContact CD-O 3.24Å; K27-N140 WeakPolarHBondContact CD-O 3.2Å; K27-N140 PolarHBondContact NZ-O 2.67Å; H31-N140 PolarHBondContact CD2-OD1 3.1Å; H31-N140 PolarHBondContact NE2-OD1 2.82Å; W136-N140 VanDerWaalsContact CH2-ND2 3.28Å; W136-N140 WeakPolarHBondContact CH2-ND2 3.21Å; W136-N140 VanDerWaalsContact CZ2-ND2 3.33Å; W136-N140 WeakPolarHBondContact CZ2-ND2 3.35Å; W136-N140 WeakPolarHBondContact CZ3-ND2 3.38Å; W136-N140 PolarHBondContact O-N 3.18Å; W136-N140 PolarHBondContact O-ND2 3Å; C137-N140 PolarHBondContact O-N 2.97Å; N140-L142 PolarHBondContact O-N 3.43Å; N140-S143 PolarHBondContact O-OG 3.22Å
141	F	94.2	Very high	93.6	Very high	8 Å²	8	28.1 Å²	28.1	4%	0.035	14%	0.137	C	C	.	.	H	α-helix	trans	-65.4	-30.1	177.8	-179.9	-100.4	0	0	0	114.3	W20 C137 I138 F139 L223 I224 H332 R333 R336	W20-F141 HydrophobicContact CH2-CD2 4.37Å; W20-F141 HydrophobicContact CH2-CE2 4.18Å; W20-F141 HydrophobicContact CZ2-CD2 4.33Å; W20-F141 HydrophobicContact CZ2-CE2 4Å; C137-F141 PolarHBondContact O-N 3.34Å; I138-F141 PolarHBondContact O-N 3.17Å; F139-F141 PolarHBondContact O-N 3.44Å; F141-L223 HydrophobicContact CD1-CB 4.14Å; F141-L223 HydrophobicContact CE1-CB 4.15Å; F141-L223 HydrophobicContact CE1-CD2 4.28Å; F141-I224 HydrophobicContact CB-CD1 3.4Å; F141-I224 HydrophobicContact CD1-CD1 4.5Å; F141-I224 HydrophobicContact CD2-CD1 4.48Å; F141-I224 HydrophobicContact CG-CD1 3.9Å; F141-H332 HydrophobicContact CZ-CB 4.27Å; F141-R333 HydrophobicContact CE2-CG 3.99Å; F141-R333 HydrophobicContact CZ-CG 4.34Å; F141-R336 WeakPolarHBondContact O-CD 3.49Å; F141-R336 PolarHBondContact O-NH1 3.46Å
142	L	95.1	Very high	93.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-101.1	-9.3	-179.1	-63.6	-179.4	0	0	0	114.2	I138 F139 N140 I151 E155 Y158 F159	I138-L142 HydrophobicContact CG2-CD1 3.77Å; I138-L142 HydrophobicContact CG2-CG 4.34Å; I138-L142 WeakPolarHBondContact O-CB 3.39Å; I138-L142 WeakPolarHBondContact O-CG 3.25Å; I138-L142 PolarHBondContact O-N 3.31Å; F139-L142 CarbonylContact O-C 3.54Å; F139-L142 PolarHBondContact O-N 2.87Å; N140-L142 PolarHBondContact O-N 3.43Å; L142-I151 HydrophobicContact CB-CD1 3.65Å; L142-I151 HydrophobicContact CB-CG1 4.28Å; L142-I151 HydrophobicContact CD1-CD1 4.28Å; L142-E155 HydrophobicContact CB-CB 4.33Å; L142-Y158 HydrophobicContact CD1-CD1 4.27Å; L142-Y158 HydrophobicContact CD2-CD1 4.18Å; L142-Y158 HydrophobicContact CD2-CE1 4.22Å; L142-F159 HydrophobicContact CD1-CB 3.73Å; L142-F159 HydrophobicContact CD1-CG 4.37Å
143	S	94.9	Very high	93.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-71	152.7	-180	64.4	0	0	0	0	113.1	K27 F139 N140 V150 R340	K27-S143 PolarHBondContact NZ-O 2.8Å; F139-S143 WeakPolarHBondContact O-CA 3.39Å; F139-S143 WeakPolarHBondContact O-CB 3.2Å; F139-S143 PolarHBondContact O-N 3.17Å; F139-S143 PolarHBondContact O-OG 3.46Å; N140-S143 PolarHBondContact O-OG 3.22Å; S143-V150 WeakPolarHBondContact CA-O 3.26Å; S143-V150 WeakPolarHBondContact CB-O 3.39Å; S143-R340 PolarHBondContact O-NH2 2.91Å
144	E	91.5	Very high	93.4	Very high	38 Å²	38	31.3 Å²	31.3	18%	0.178	15%	0.153	C	C	.	.			trans	-74.5	142.4	172.9	-58.4	-63.5	-177.3	0	0	111.3	K146 L149 V150 V152 R340 R343	E144-K146 PolarHBondContact O-N 3.26Å; E144-L149 WeakPolarHBondContact O-CD2 3.1Å; E144-V150 PolarHBondContact N-O 2.93Å; E144-V152 HydrophobicContact CG-CG1 3.98Å; E144-R340 IonicContact OE2-CZ 2.76Å; E144-R340 IonicContact OE2-NE 3.41Å; E144-R340 PolarHBondContact OE2-NE 2.78Å; E144-R340 IonicContact OE2-NH2 3.98Å; E144-R340 PolarHBondContact OE2-NH2 2.68Å; E144-R343 IonicContact OE1-CZ 3.86Å; E144-R343 IonicContact OE1-NE 2.76Å; E144-R343 IonicContact OE1-NH2 3.1Å; E144-R343 PolarHBondContact OE1-NH2 3.43Å
145	D	88.6	Confident	93.4	Very high	52 Å²	52	30.2 Å²	30.2	28%	0.278	15%	0.148	S	C	.	.	S	Bend	trans	-78.6	19.2	-164.1	-34.4	-48.2	0	0	0	114.3	K27 R340	K27-D145 WeakPolarHBondContact CE-OD1 3.45Å; K27-D145 IonicContact NZ-OD1 3.43Å; K27-D145 PolarHBondContact NZ-OD1 3.4Å; D145-R340 VanDerWaalsContact CG-NH2 3.28Å; D145-R340 IonicContact OD1-CZ 3.72Å; D145-R340 IonicContact OD1-NH1 2.57Å; D145-R340 PolarHBondContact OD1-NH1 3.01Å; D145-R340 IonicContact OD1-NH2 2.77Å; D145-R340 PolarHBondContact OD1-NH2 3.4Å; D145-R340 IonicContact OD2-CZ 3.2Å; D145-R340 IonicContact OD2-NH1 2.69Å; D145-R340 PolarHBondContact OD2-NH1 3.3Å; D145-R340 IonicContact OD2-NH2 3.87Å; D145-R340 PolarHBondContact OD2-NH2 3.41Å
146	K	86.6	Confident	93.3	Very high	172 Å²	172	30.2 Å²	30.2	75%	0.748	15%	0.148	S	C	*	.	S	Bend	trans	-111	134.1	179.9	-66.7	179.6	-179.3	175.7	0	109.6	E144 P148	E144-K146 PolarHBondContact O-N 3.26Å; K146-P148 CarbonylContact O-C 3.52Å; K146-P148 VanDerWaalsContact O-C 3.31Å; K146-P148 VanDerWaalsContact O-O 3.11Å
147	Y	86.3	Confident	93.1	Very high	124 Å²	124	31.9 Å²	31.9	49%	0.486	16%	0.156	S	C	.	.	S	Bend	trans	-78.8	139.7	170.5	-174.6	-89.7	0	0	0	110.7	W30 T34	W30-Y147 HydrophobicContact CB-CD2 3.86Å; W30-Y147 HydrophobicContact CB-CE2 4.14Å; W30-Y147 AromaticContact CD2-CD2 3.96Å; W30-Y147 HydrophobicContact CD2-CD2 3.96Å; W30-Y147 HydrophobicContact CD2-CG 4.42Å; W30-Y147 HydrophobicContact CE3-CD2 4.18Å; W30-Y147 AromaticContact CG-CD2 3.85Å; W30-Y147 HydrophobicContact CG-CD2 3.85Å; T34-Y147 PolarHBondContact OG1-OH 2.84Å; T34-Y147 VanDerWaalsContact OG1-OH 3.1Å
148	P	89.8	Confident	93	Very high	92 Å²	92	34.1 Å²	34.1	60%	0.597	16%	0.164	S	C	*	.	S	Bend	cis	-70.8	138.2	-3.3	30.7	-35.5	0	0	0	112.1	K146 V150	K146-P148 CarbonylContact O-C 3.52Å; K146-P148 VanDerWaalsContact O-C 3.31Å; K146-P148 VanDerWaalsContact O-O 3.11Å; P148-V150 PolarHBondContact O-N 3.5Å
149	L	93.1	Very high	93	Very high	12 Å²	12	34.1 Å²	34.1	6%	0.063	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-63.9	130.9	-176.5	-69.2	173.2	0	0	0	111.9	K27 W30 H31 F139 E144	K27-L149 HydrophobicContact CB-CD1 3.84Å; K27-L149 HydrophobicContact CB-CD2 4.38Å; K27-L149 HydrophobicContact CD-CD2 4.48Å; K27-L149 HydrophobicContact CG-CD1 4.38Å; K27-L149 HydrophobicContact CG-CD2 4.01Å; K27-L149 WeakPolarHBondContact O-CD1 3.27Å; W30-L149 HydrophobicContact CE3-CD1 4.08Å; W30-L149 HydrophobicContact CE3-CD2 3.73Å; W30-L149 HydrophobicContact CE3-CG 3.82Å; W30-L149 HydrophobicContact CZ3-CD2 3.73Å; W30-L149 HydrophobicContact CZ3-CG 4.31Å; H31-L149 WeakPolarHBondContact NE2-CD1 3.28Å; F139-L149 HydrophobicContact CE1-CB 3.84Å; F139-L149 HydrophobicContact CE1-CD1 4.47Å; F139-L149 HydrophobicContact CZ-CB 3.99Å; E144-L149 WeakPolarHBondContact O-CD2 3.1Å
150	V	94.7	Very high	92.8	Very high	36 Å²	36	34.5 Å²	34.5	22%	0.218	17%	0.166	C	C	.	.			trans	-140.9	153	175.9	-65.7	0	0	0	0	110.7	S143 E144 P148 C188 L189	S143-V150 WeakPolarHBondContact CA-O 3.26Å; S143-V150 WeakPolarHBondContact CB-O 3.39Å; E144-V150 PolarHBondContact N-O 2.93Å; P148-V150 PolarHBondContact O-N 3.5Å; V150-C188 HydrophobicContact CB-CB 3.94Å; V150-C188 HydrophobicContact CG2-CB 4.09Å; V150-L189 WeakPolarHBondContact CA-O 3.18Å
151	I	94.9	Very high	92.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.5	169.6	-170.9	174.4	0	0	0	108.7	F139 L142 E155 V156 C188 L189 L194	F139-I151 HydrophobicContact CD2-CB 3.9Å; F139-I151 HydrophobicContact CD2-CG2 3.76Å; F139-I151 HydrophobicContact CE2-CB 3.79Å; F139-I151 HydrophobicContact CE2-CG2 3.7Å; L142-I151 HydrophobicContact CB-CD1 3.65Å; L142-I151 HydrophobicContact CB-CG1 4.28Å; L142-I151 HydrophobicContact CD1-CD1 4.28Å; I151-E155 HydrophobicContact CD1-CB 4.02Å; I151-E155 HydrophobicContact CG1-CB 3.68Å; I151-V156 HydrophobicContact CB-CG2 4.28Å; I151-V156 HydrophobicContact CD1-CG2 4.03Å; I151-V156 HydrophobicContact CG1-CG2 3.93Å; I151-V156 HydrophobicContact CG2-CG2 3.53Å; I151-C188 CarbonylContact O-C 3.54Å; I151-C188 WeakPolarHBondContact O-CA 3.25Å; I151-C188 WeakPolarHBondContact O-CB 3.45Å; I151-L189 HydrophobicContact CG2-CB 3.99Å; I151-L189 PolarHBondContact N-O 3.42Å; I151-L189 PolarHBondContact O-N 3.41Å; I151-L194 HydrophobicContact CD1-CD2 4.2Å; I151-L194 HydrophobicContact CG2-CD2 4.42Å
152	V	93.8	Very high	92.7	Very high	25 Å²	25	40 Å²	40	15%	0.152	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	152.1	177.5	-63.6	0	0	0	0	110.8	E144 E154 E155 V156 C188	E144-V152 HydrophobicContact CG-CG1 3.98Å; V152-E154 HydrophobicContact CG2-CB 4.49Å; V152-E154 PolarHBondContact O-N 3.5Å; V152-E154 VanDerWaalsContact O-N 3.09Å; V152-E155 HydrophobicContact CG2-CB 4.22Å; V152-E155 HydrophobicContact CG2-CG 3.86Å; V152-E155 PolarHBondContact O-N 3.33Å; V152-V156 PolarHBondContact O-N 3.36Å; V152-C188 HydrophobicContact CG1-CB 4.48Å
153	F	92.4	Very high	92.6	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-56.1	-31.4	-175.1	-82.8	-61.4	0	0	0	113.8	E155 V156 E157 F176 Y179 R180 H183 K186 S187 L189	F153-E155 VanDerWaalsContact C-N 3.3Å; F153-E155 PolarHBondContact O-N 3.3Å; F153-V156 PolarHBondContact O-N 3.48Å; F153-E157 WeakPolarHBondContact O-CB 3.42Å; F153-E157 PolarHBondContact O-N 2.87Å; F153-F176 HydrophobicContact CB-CZ 4.4Å; F153-F176 HydrophobicContact CD1-CZ 4.13Å; F153-Y179 HydrophobicContact CE1-CD1 4.25Å; F153-Y179 AromaticContact CE1-CE1 3.88Å; F153-Y179 HydrophobicContact CE1-CE1 3.88Å; F153-R180 HydrophobicContact CD2-CG 4.2Å; F153-R180 HydrophobicContact CE2-CG 4.45Å; F153-R180 HydrophobicContact CG-CG 4.37Å; F153-H183 HydrophobicContact CZ-CB 3.94Å; F153-K186 WeakPolarHBondContact CE2-O 3.49Å; F153-S187 VanDerWaalsContact CD2-C 3.42Å; F153-S187 VanDerWaalsContact CD2-O 3.3Å; F153-S187 WeakPolarHBondContact CD2-O 3.47Å; F153-S187 PolarHBondContact N-O 3.39Å; F153-L189 HydrophobicContact CE1-CD1 4.43Å; F153-L189 HydrophobicContact CE1-CD2 4.15Å; F153-L189 HydrophobicContact CE1-CG 4.16Å; F153-L189 HydrophobicContact CZ-CD2 4.17Å
154	E	92.4	Very high	92.4	Very high	69 Å²	69	40.6 Å²	40.6	32%	0.322	19%	0.192	S	C	.	.	H	α-helix	trans	-65.5	-31.6	177.5	-64.7	64.7	-140.4	0	0	112.6	V152 Y158 R180	V152-E154 HydrophobicContact CG2-CB 4.49Å; V152-E154 PolarHBondContact O-N 3.5Å; V152-E154 VanDerWaalsContact O-N 3.09Å; E154-Y158 WeakPolarHBondContact O-CB 3.42Å; E154-Y158 PolarHBondContact O-N 3.3Å; E154-Y158 VanDerWaalsContact O-N 3.12Å; E154-R180 IonicContact OE1-CZ 2.74Å; E154-R180 IonicContact OE1-NH1 2.75Å; E154-R180 PolarHBondContact OE1-NH1 3.41Å; E154-R180 IonicContact OE1-NH2 2.9Å; E154-R180 PolarHBondContact OE1-NH2 3.18Å
155	E	95.3	Very high	92.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-86.4	-30	175.7	-65.6	-63.2	157.3	0	0	112	L142 I151 V152 F153 E157 F159 R339 R343	L142-E155 HydrophobicContact CB-CB 4.33Å; I151-E155 HydrophobicContact CD1-CB 4.02Å; I151-E155 HydrophobicContact CG1-CB 3.68Å; V152-E155 HydrophobicContact CG2-CB 4.22Å; V152-E155 HydrophobicContact CG2-CG 3.86Å; V152-E155 PolarHBondContact O-N 3.33Å; F153-E155 VanDerWaalsContact C-N 3.3Å; F153-E155 PolarHBondContact O-N 3.3Å; E155-E157 VanDerWaalsContact C-N 3.32Å; E155-F159 WeakPolarHBondContact O-CB 3.43Å; E155-F159 PolarHBondContact O-N 3.34Å; E155-R339 VanDerWaalsContact CD-NE 3.33Å; E155-R339 WeakPolarHBondContact OE1-CB 3.48Å; E155-R339 IonicContact OE1-CZ 2.82Å; E155-R339 IonicContact OE1-NE 2.77Å; E155-R339 PolarHBondContact OE1-NE 2.93Å; E155-R339 IonicContact OE1-NH2 2.74Å; E155-R339 IonicContact OE2-CZ 3.5Å; E155-R339 VanDerWaalsContact OE2-CZ 3.27Å; E155-R339 IonicContact OE2-NE 3.84Å; E155-R339 PolarHBondContact OE2-NE 3.36Å; E155-R339 IonicContact OE2-NH2 3.36Å; E155-R339 PolarHBondContact OE2-NH2 2.79Å; E155-R343 IonicContact OE1-CZ 2.74Å; E155-R343 IonicContact OE1-NH1 2.64Å; E155-R343 PolarHBondContact OE1-NH1 2.81Å; E155-R343 IonicContact OE1-NH2 3.17Å; E155-R343 PolarHBondContact OE1-NH2 3.42Å
156	V	94	Very high	92.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-45.9	166.3	179.9	0	0	0	0	109.8	I151 V152 F153 F159 L160 F176 L189 L194 L197	I151-V156 HydrophobicContact CB-CG2 4.28Å; I151-V156 HydrophobicContact CD1-CG2 4.03Å; I151-V156 HydrophobicContact CG1-CG2 3.93Å; I151-V156 HydrophobicContact CG2-CG2 3.53Å; V152-V156 PolarHBondContact O-N 3.36Å; F153-V156 PolarHBondContact O-N 3.48Å; V156-F159 PolarHBondContact O-N 3.26Å; V156-L160 HydrophobicContact CG1-CD1 3.68Å; V156-L160 HydrophobicContact CG1-CG 4.23Å; V156-L160 WeakPolarHBondContact O-CB 3.43Å; V156-L160 VanDerWaalsContact O-CG 3.26Å; V156-L160 WeakPolarHBondContact O-CG 3.38Å; V156-L160 PolarHBondContact O-N 3.09Å; V156-F176 HydrophobicContact CG1-CE2 4.14Å; V156-L189 HydrophobicContact CG1-CD1 4.22Å; V156-L189 HydrophobicContact CG2-CD1 4.02Å; V156-L189 HydrophobicContact CG2-CG 4.37Å; V156-L194 HydrophobicContact CG1-CD1 3.99Å; V156-L194 HydrophobicContact CG2-CD1 4.36Å; V156-L197 HydrophobicContact CG1-CD2 4.02Å
157	E	92.9	Very high	92.7	Very high	36 Å²	36	36.4 Å²	36.4	17%	0.168	18%	0.178	C	C	.	.	H	α-helix	trans	-63	-46.1	178.2	-159.9	-175.3	151.1	0	0	111.6	F153 E155 F159 L160 R161 W171 F176	F153-E157 WeakPolarHBondContact O-CB 3.42Å; F153-E157 PolarHBondContact O-N 2.87Å; E155-E157 VanDerWaalsContact C-N 3.32Å; E157-F159 VanDerWaalsContact C-N 3.32Å; E157-F159 PolarHBondContact O-N 3.14Å; E157-L160 PolarHBondContact O-N 3.28Å; E157-R161 HydrophobicContact CG-CG 4.44Å; E157-R161 VanDerWaalsContact O-CB 3.3Å; E157-R161 WeakPolarHBondContact O-CB 3.45Å; E157-R161 VanDerWaalsContact O-CG 3.31Å; E157-R161 WeakPolarHBondContact O-CG 3.19Å; E157-R161 PolarHBondContact O-N 2.93Å; E157-R161 IonicContact OE1-CZ 2.79Å; E157-R161 IonicContact OE1-NE 2.65Å; E157-R161 PolarHBondContact OE1-NE 2.91Å; E157-R161 IonicContact OE1-NH2 3.2Å; E157-R161 PolarHBondContact OE1-NH2 3.27Å; E157-W171 HydrophobicContact CG-CH2 3.98Å; E157-W171 HydrophobicContact CG-CZ2 3.55Å; E157-F176 HydrophobicContact CB-CD1 4.25Å; E157-F176 HydrophobicContact CB-CE1 3.55Å; E157-F176 HydrophobicContact CB-CE2 4.33Å; E157-F176 HydrophobicContact CB-CZ 3.6Å; E157-F176 HydrophobicContact CG-CD1 3.67Å; E157-F176 HydrophobicContact CG-CE1 3.48Å; E157-F176 VanDerWaalsContact CG-CE1 3.48Å; E157-F176 HydrophobicContact CG-CG 4.28Å; E157-F176 HydrophobicContact CG-CZ 3.94Å; E157-F176 WeakPolarHBondContact OE2-CE1 3.42Å
158	Y	94.6	Very high	92.8	Very high	48 Å²	48	34 Å²	34	19%	0.188	19%	0.191	C	C	.	.	H	α-helix	trans	-55.3	-46.4	174.1	171.8	-103.2	0	0	0	112.1	L142 E154 K162 L223 R339	L142-Y158 HydrophobicContact CD1-CD1 4.27Å; L142-Y158 HydrophobicContact CD2-CD1 4.18Å; L142-Y158 HydrophobicContact CD2-CE1 4.22Å; E154-Y158 WeakPolarHBondContact O-CB 3.42Å; E154-Y158 PolarHBondContact O-N 3.3Å; E154-Y158 VanDerWaalsContact O-N 3.12Å; Y158-K162 HydrophobicContact CE2-CG 4.29Å; Y158-K162 WeakPolarHBondContact O-CB 3.33Å; Y158-K162 PolarHBondContact O-N 3.2Å; Y158-L223 HydrophobicContact CE1-CD1 4.31Å; Y158-L223 HydrophobicContact CE1-CD2 4.43Å; Y158-R339 VanDerWaalsContact CD1-NH2 3.3Å; Y158-R339 VanDerWaalsContact CE1-NH2 3.28Å
159	F	95.4	Very high	92.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-44.9	177.7	172.2	-140.7	0	0	0	112.5	V135 I138 L142 E155 V156 E157 K162 L163 L194 V198 V219	V135-F159 HydrophobicContact CG1-CE1 4.17Å; V135-F159 HydrophobicContact CG1-CZ 4.41Å; V135-F159 HydrophobicContact CG2-CZ 4.3Å; I138-F159 HydrophobicContact CD1-CE2 3.87Å; I138-F159 HydrophobicContact CD1-CZ 4.22Å; I138-F159 HydrophobicContact CG2-CD1 4.26Å; I138-F159 HydrophobicContact CG2-CD2 3.75Å; I138-F159 HydrophobicContact CG2-CE1 4.35Å; I138-F159 HydrophobicContact CG2-CE2 3.88Å; I138-F159 HydrophobicContact CG2-CG 3.98Å; I138-F159 HydrophobicContact CG2-CZ 4.18Å; L142-F159 HydrophobicContact CD1-CB 3.73Å; L142-F159 HydrophobicContact CD1-CG 4.37Å; E155-F159 WeakPolarHBondContact O-CB 3.43Å; E155-F159 PolarHBondContact O-N 3.34Å; V156-F159 PolarHBondContact O-N 3.26Å; E157-F159 VanDerWaalsContact C-N 3.32Å; E157-F159 PolarHBondContact O-N 3.14Å; F159-K162 WeakPolarHBondContact O-CB 3.23Å; F159-K162 PolarHBondContact O-N 3.44Å; F159-L163 WeakPolarHBondContact O-CB 3.32Å; F159-L163 PolarHBondContact O-N 3.24Å; F159-L194 HydrophobicContact CD1-CD1 4.13Å; F159-L194 HydrophobicContact CD1-CD2 4.04Å; F159-L194 HydrophobicContact CD1-CG 4.44Å; F159-L194 HydrophobicContact CE1-CD1 4.3Å; F159-L194 HydrophobicContact CE1-CD2 4.06Å; F159-L194 HydrophobicContact CE1-CG 4.29Å; F159-V198 HydrophobicContact CE1-CG2 3.75Å; F159-V198 HydrophobicContact CZ-CG2 4.17Å; F159-V219 HydrophobicContact CD2-CG1 3.97Å; F159-V219 HydrophobicContact CE2-CG1 4Å
160	L	93.1	Very high	92.1	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-68.7	-39	-179.9	-66.9	170.5	0	0	0	112	V156 E157 L163 T164 W171 F176 L197 V198 F203	V156-L160 HydrophobicContact CG1-CD1 3.68Å; V156-L160 HydrophobicContact CG1-CG 4.23Å; V156-L160 WeakPolarHBondContact O-CB 3.43Å; V156-L160 VanDerWaalsContact O-CG 3.26Å; V156-L160 WeakPolarHBondContact O-CG 3.38Å; V156-L160 PolarHBondContact O-N 3.09Å; E157-L160 PolarHBondContact O-N 3.28Å; L160-L163 PolarHBondContact O-N 2.96Å; L160-T164 PolarHBondContact O-N 2.6Å; L160-T164 PolarHBondContact O-OG1 3.24Å; L160-W171 HydrophobicContact CB-CH2 3.92Å; L160-W171 HydrophobicContact CB-CZ3 3.64Å; L160-F176 HydrophobicContact CD1-CD2 4.02Å; L160-F176 HydrophobicContact CD1-CE2 3.89Å; L160-L197 HydrophobicContact CD1-CD2 4.15Å; L160-V198 HydrophobicContact CD2-CG2 4.35Å; L160-F203 HydrophobicContact CD1-CD2 3.98Å; L160-F203 HydrophobicContact CD1-CE2 3.39Å; L160-F203 HydrophobicContact CD1-CZ 3.83Å; L160-F203 HydrophobicContact CD2-CD2 4.07Å; L160-F203 HydrophobicContact CD2-CE2 4.1Å; L160-F203 HydrophobicContact CG-CE2 4.36Å
161	R	93.1	Very high	91.8	Very high	82 Å²	82	36.3 Å²	36.3	31%	0.309	21%	0.207	S	C	.	.	H	α-helix	trans	-55.7	-51.6	170.1	-77.7	175.8	-178.9	-102.3	2.5	110	E157 L163 T164 E165 W171 E173	E157-R161 HydrophobicContact CG-CG 4.44Å; E157-R161 VanDerWaalsContact O-CB 3.3Å; E157-R161 WeakPolarHBondContact O-CB 3.45Å; E157-R161 VanDerWaalsContact O-CG 3.31Å; E157-R161 WeakPolarHBondContact O-CG 3.19Å; E157-R161 PolarHBondContact O-N 2.93Å; E157-R161 IonicContact OE1-CZ 2.79Å; E157-R161 IonicContact OE1-NE 2.65Å; E157-R161 PolarHBondContact OE1-NE 2.91Å; E157-R161 IonicContact OE1-NH2 3.2Å; E157-R161 PolarHBondContact OE1-NH2 3.27Å; R161-L163 VanDerWaalsContact C-N 3.31Å; R161-L163 PolarHBondContact O-N 3.25Å; R161-T164 WeakPolarHBondContact CA-OG1 3.49Å; R161-T164 PolarHBondContact O-N 3.16Å; R161-T164 VanDerWaalsContact O-N 3.15Å; R161-T164 PolarHBondContact O-OG1 3.05Å; R161-E165 WeakPolarHBondContact O-CG 3.45Å; R161-E165 PolarHBondContact O-N 3.28Å; R161-W171 HydrophobicContact CB-CD2 4.49Å; R161-W171 HydrophobicContact CB-CE3 4.28Å; R161-W171 HydrophobicContact CG-CD2 3.43Å; R161-W171 VanDerWaalsContact CG-CD2 3.43Å; R161-W171 HydrophobicContact CG-CE3 3.62Å; R161-W171 HydrophobicContact CG-CG 3.9Å; R161-W171 HydrophobicContact CG-CH2 4.17Å; R161-W171 HydrophobicContact CG-CZ2 4.01Å; R161-W171 HydrophobicContact CG-CZ3 3.99Å; R161-W171 VanDerWaalsContact CZ-NE1 3.27Å; R161-E173 IonicContact CZ-OE2 2.9Å; R161-E173 IonicContact NH2-OE2 3.22Å; R161-E173 PolarHBondContact NH2-OE2 3.47Å
162	K	93.8	Very high	91.4	Very high	42 Å²	42	38.5 Å²	38.5	18%	0.183	22%	0.222	C	C	.	.	H	α-helix	trans	-56.8	-40.4	175	-88.8	-70.4	-172.5	172.9	0	113.8	Y158 F159 A166 V219 E222	Y158-K162 HydrophobicContact CE2-CG 4.29Å; Y158-K162 WeakPolarHBondContact O-CB 3.33Å; Y158-K162 PolarHBondContact O-N 3.2Å; F159-K162 WeakPolarHBondContact O-CB 3.23Å; F159-K162 PolarHBondContact O-N 3.44Å; K162-A166 WeakPolarHBondContact O-CB 3.24Å; K162-A166 PolarHBondContact O-N 2.57Å; K162-V219 HydrophobicContact CB-CG1 4.36Å; K162-V219 HydrophobicContact CB-CG2 4.15Å; K162-E222 VanDerWaalsContact CE-OE1 3.3Å; K162-E222 WeakPolarHBondContact CE-OE1 3.47Å; K162-E222 WeakPolarHBondContact CE-OE2 3.49Å; K162-E222 IonicContact NZ-OE1 2.74Å; K162-E222 PolarHBondContact NZ-OE1 3.23Å; K162-E222 IonicContact NZ-OE2 2.73Å; K162-E222 PolarHBondContact NZ-OE2 3.3Å
163	L	92.8	Very high	91.1	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-67.5	-41.8	177	-169.9	65.7	0	0	0	111.3	F159 L160 R161 A166 M167 V198 L212 I216	F159-L163 WeakPolarHBondContact O-CB 3.32Å; F159-L163 PolarHBondContact O-N 3.24Å; L160-L163 PolarHBondContact O-N 2.96Å; R161-L163 VanDerWaalsContact C-N 3.31Å; R161-L163 PolarHBondContact O-N 3.25Å; L163-A166 PolarHBondContact O-N 3.49Å; L163-M167 HydrophobicContact CG-CE 4.23Å; L163-M167 VanDerWaalsContact O-CG 3.29Å; L163-M167 WeakPolarHBondContact O-CG 3.44Å; L163-M167 PolarHBondContact O-N 2.74Å; L163-V198 HydrophobicContact CD2-CG1 4.1Å; L163-L212 HydrophobicContact CD1-CD1 4.36Å; L163-L212 HydrophobicContact CD2-CD1 3.98Å; L163-L212 HydrophobicContact CG-CD1 4.41Å; L163-I216 HydrophobicContact CD1-CG1 3.75Å
164	T	91.1	Very high	90.9	Very high	8 Å²	8	49.6 Å²	49.6	5%	0.049	27%	0.272	C	S	.	.	H	α-helix	trans	-65.9	-39.7	174.6	51.2	0	0	0	0	112.9	L160 R161 A166 M167 G168 I169 W171	L160-T164 PolarHBondContact O-N 2.6Å; L160-T164 PolarHBondContact O-OG1 3.24Å; R161-T164 WeakPolarHBondContact CA-OG1 3.49Å; R161-T164 PolarHBondContact O-N 3.16Å; R161-T164 VanDerWaalsContact O-N 3.15Å; R161-T164 PolarHBondContact O-OG1 3.05Å; T164-A166 PolarHBondContact O-N 2.64Å; T164-M167 HydrophobicContact CG2-CE 3.86Å; T164-M167 CarbonylContact O-C 3.59Å; T164-M167 PolarHBondContact O-N 3.33Å; T164-M167 VanDerWaalsContact O-N 3.15Å; T164-G168 PolarHBondContact O-N 3.39Å; T164-G168 VanDerWaalsContact O-N 3.1Å; T164-I169 CarbonylContact C-O 3.48Å; T164-I169 PolarHBondContact O-N 3.33Å; T164-W171 HydrophobicContact CG2-CE3 4.26Å
165	E	92.1	Very high	90.5	Very high	125 Å²	125	49.5 Å²	49.5	58%	0.584	27%	0.271	S	S	*	.	H	α-helix	trans	-57.8	-48.1	173	-73.6	170.7	-172.1	0	0	111.3	R161 M167 G168	R161-E165 WeakPolarHBondContact O-CG 3.45Å; R161-E165 PolarHBondContact O-N 3.28Å; E165-M167 VanDerWaalsContact C-N 3.29Å; E165-M167 PolarHBondContact O-N 2.95Å; E165-G168 PolarHBondContact O-N 2.93Å
166	A	92.3	Very high	90.2	Very high	25 Å²	25	49.7 Å²	49.7	21%	0.207	27%	0.272	C	S	.	.	H	α-helix	trans	-71.1	-18.2	177.2	0	0	0	0	0	113.9	K162 L163 T164 G168 S215 E218 V219	K162-A166 WeakPolarHBondContact O-CB 3.24Å; K162-A166 PolarHBondContact O-N 2.57Å; L163-A166 PolarHBondContact O-N 3.49Å; T164-A166 PolarHBondContact O-N 2.64Å; A166-G168 VanDerWaalsContact C-N 3.34Å; A166-S215 PolarHBondContact O-OG 3.1Å; A166-E218 HydrophobicContact CB-CB 4.36Å; A166-E218 HydrophobicContact CB-CG 4.46Å; A166-V219 HydrophobicContact CB-CG2 4.12Å
167	M	89.9	Confident	90	Very high	24 Å²	24	52.8 Å²	52.8	12%	0.118	29%	0.291	C	S	.	.	H	α-helix	trans	-84	-9.8	168.4	-70	-175.1	-62.5	0	0	112.4	L163 T164 E165 I169 V207 I211 L212 S215	L163-M167 HydrophobicContact CG-CE 4.23Å; L163-M167 VanDerWaalsContact O-CG 3.29Å; L163-M167 WeakPolarHBondContact O-CG 3.44Å; L163-M167 PolarHBondContact O-N 2.74Å; T164-M167 HydrophobicContact CG2-CE 3.86Å; T164-M167 CarbonylContact O-C 3.59Å; T164-M167 PolarHBondContact O-N 3.33Å; T164-M167 VanDerWaalsContact O-N 3.15Å; E165-M167 VanDerWaalsContact C-N 3.29Å; E165-M167 PolarHBondContact O-N 2.95Å; M167-I169 VanDerWaalsContact C-N 3.29Å; M167-I169 HydrophobicContact CB-CB 4.34Å; M167-I169 HydrophobicContact CB-CD1 3.73Å; M167-I169 HydrophobicContact CB-CG1 3.86Å; M167-I169 HydrophobicContact CE-CD1 4.24Å; M167-I169 HydrophobicContact SD-CD1 4.25Å; M167-V207 HydrophobicContact SD-CG1 3.84Å; M167-V207 HydrophobicContact SD-CG2 4.14Å; M167-I211 HydrophobicContact CB-CG2 4.29Å; M167-I211 HydrophobicContact CG-CG2 4.14Å; M167-L212 HydrophobicContact SD-CD1 4.12Å; M167-S215 WeakPolarHBondContact CA-OG 3.46Å; M167-S215 WeakPolarHBondContact CG-OG 3.22Å; M167-S215 PolarHBondContact N-OG 2.89Å
168	G	87.6	Confident	89.7	Confident	74 Å²	74	55.4 Å²	55.4	76%	0.763	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	20.8	-171.8	0	0	0	0	0	113.9	T164 E165 A166	T164-G168 PolarHBondContact O-N 3.39Å; T164-G168 VanDerWaalsContact O-N 3.1Å; E165-G168 PolarHBondContact O-N 2.93Å; A166-G168 VanDerWaalsContact C-N 3.34Å
169	I	84.8	Confident	89.3	Confident	66 Å²	66	53.7 Å²	53.7	34%	0.338	30%	0.299	S	S	.	.			trans	-106.3	140.6	-173.6	-60.8	175.4	0	0	0	109.7	T164 M167 V207	T164-I169 CarbonylContact C-O 3.48Å; T164-I169 PolarHBondContact O-N 3.33Å; M167-I169 VanDerWaalsContact C-N 3.29Å; M167-I169 HydrophobicContact CB-CB 4.34Å; M167-I169 HydrophobicContact CB-CD1 3.73Å; M167-I169 HydrophobicContact CB-CG1 3.86Å; M167-I169 HydrophobicContact CE-CD1 4.24Å; M167-I169 HydrophobicContact SD-CD1 4.25Å; I169-V207 HydrophobicContact CD1-CG2 3.32Å
170	G	82.7	Confident	88.9	Confident	65 Å²	65	58.2 Å²	58.2	67%	0.67	32%	0.316	S	S	*	.			trans	-66	135.2	175.6	0	0	0	0	0	112.3
171	W	89.6	Confident	88.6	Confident	56 Å²	56	64.4 Å²	64.4	21%	0.212	35%	0.346	C	S	.	.			trans	-61.4	134.6	172.6	177.7	-111.7	0	0	0	111.3	E157 L160 R161 T164 F176	E157-W171 HydrophobicContact CG-CH2 3.98Å; E157-W171 HydrophobicContact CG-CZ2 3.55Å; L160-W171 HydrophobicContact CB-CH2 3.92Å; L160-W171 HydrophobicContact CB-CZ3 3.64Å; R161-W171 HydrophobicContact CB-CD2 4.49Å; R161-W171 HydrophobicContact CB-CE3 4.28Å; R161-W171 HydrophobicContact CG-CD2 3.43Å; R161-W171 VanDerWaalsContact CG-CD2 3.43Å; R161-W171 HydrophobicContact CG-CE3 3.62Å; R161-W171 HydrophobicContact CG-CG 3.9Å; R161-W171 HydrophobicContact CG-CH2 4.17Å; R161-W171 HydrophobicContact CG-CZ2 4.01Å; R161-W171 HydrophobicContact CG-CZ3 3.99Å; R161-W171 VanDerWaalsContact CZ-NE1 3.27Å; T164-W171 HydrophobicContact CG2-CE3 4.26Å; W171-F176 HydrophobicContact CH2-CB 3.86Å; W171-F176 AromaticContact CH2-CD2 3.98Å; W171-F176 HydrophobicContact CH2-CD2 3.98Å; W171-F176 AromaticContact CH2-CG 3.88Å; W171-F176 HydrophobicContact CH2-CG 3.88Å; W171-F176 HydrophobicContact CZ2-CB 3.56Å; W171-F176 HydrophobicContact CZ2-CD1 4.14Å; W171-F176 HydrophobicContact CZ2-CD2 4.31Å; W171-F176 AromaticContact CZ2-CG 3.74Å; W171-F176 HydrophobicContact CZ2-CG 3.74Å
172	C	86.1	Confident	88.1	Confident	46 Å²	46	66.6 Å²	66.6	31%	0.311	36%	0.36	S	S	.	.			trans	-114.8	93.3	178.9	-174.2	0	0	0	0	109.7	E174 K175	C172-E174 PolarHBondContact O-N 3.44Å; C172-K175 HydrophobicContact CB-CB 4.49Å; C172-K175 HydrophobicContact CB-CD 4.41Å
173	E	87.9	Confident	87.4	Confident	111 Å²	111	67.8 Å²	67.8	52%	0.519	37%	0.366	S	S	.	.	H	α-helix	trans	-64.8	-39.4	-173.9	-161.4	156.6	137.4	0	0	112.2	R161 K175 F176 T177	R161-E173 IonicContact CZ-OE2 2.9Å; R161-E173 IonicContact NH2-OE2 3.22Å; R161-E173 PolarHBondContact NH2-OE2 3.47Å; E173-K175 PolarHBondContact O-N 2.83Å; E173-F176 PolarHBondContact O-N 3.27Å; E173-T177 PolarHBondContact O-N 2.97Å; E173-T177 PolarHBondContact O-OG1 3.01Å
174	E	86.7	Confident	86.2	Confident	150 Å²	150	71.8 Å²	71.8	70%	0.701	40%	0.395	S	S	*	.	H	α-helix	trans	-55	-50.8	178.2	-63.7	177.9	160.6	0	0	112.2	C172 F176 T177 D178	C172-E174 PolarHBondContact O-N 3.44Å; E174-F176 PolarHBondContact O-N 2.8Å; E174-T177 WeakPolarHBondContact CA-OG1 3.39Å; E174-T177 PolarHBondContact O-N 2.95Å; E174-T177 VanDerWaalsContact O-N 3.16Å; E174-T177 PolarHBondContact O-OG1 3.37Å; E174-D178 PolarHBondContact O-N 3.43Å
175	K	85.5	Confident	85.2	Confident	67 Å²	67	76.5 Å²	76.5	29%	0.291	44%	0.435	S	S	.	.	H	α-helix	trans	-58.6	-34.4	176.5	-76.4	-173.2	-176.4	-170.3	0	112.7	C172 E173 Y179 F203 N205	C172-K175 HydrophobicContact CB-CB 4.49Å; C172-K175 HydrophobicContact CB-CD 4.41Å; E173-K175 PolarHBondContact O-N 2.83Å; K175-Y179 WeakPolarHBondContact O-CB 3.31Å; K175-Y179 PolarHBondContact O-N 2.91Å; K175-Y179 VanDerWaalsContact O-N 3.08Å; K175-F203 HydrophobicContact CB-CD1 4.01Å; K175-F203 HydrophobicContact CB-CE1 4.36Å; K175-F203 PolarHBondContact NZ-O 2.9Å; K175-N205 PolarHBondContact NZ-OD1 2.97Å
176	F	88.9	Confident	84.6	Confident	3 Å²	3	75.3 Å²	75.3	1%	0.013	43%	0.428	C	S	.	.	H	α-helix	trans	-76.8	-37.9	178.2	-172.7	-103.2	0	0	0	112	F153 V156 E157 L160 W171 E173 E174 Y179 R180 F203	F153-F176 HydrophobicContact CB-CZ 4.4Å; F153-F176 HydrophobicContact CD1-CZ 4.13Å; V156-F176 HydrophobicContact CG1-CE2 4.14Å; E157-F176 HydrophobicContact CB-CD1 4.25Å; E157-F176 HydrophobicContact CB-CE1 3.55Å; E157-F176 HydrophobicContact CB-CE2 4.33Å; E157-F176 HydrophobicContact CB-CZ 3.6Å; E157-F176 HydrophobicContact CG-CD1 3.67Å; E157-F176 HydrophobicContact CG-CE1 3.48Å; E157-F176 VanDerWaalsContact CG-CE1 3.48Å; E157-F176 HydrophobicContact CG-CG 4.28Å; E157-F176 HydrophobicContact CG-CZ 3.94Å; E157-F176 WeakPolarHBondContact OE2-CE1 3.42Å; L160-F176 HydrophobicContact CD1-CD2 4.02Å; L160-F176 HydrophobicContact CD1-CE2 3.89Å; W171-F176 HydrophobicContact CH2-CB 3.86Å; W171-F176 AromaticContact CH2-CD2 3.98Å; W171-F176 HydrophobicContact CH2-CD2 3.98Å; W171-F176 AromaticContact CH2-CG 3.88Å; W171-F176 HydrophobicContact CH2-CG 3.88Å; W171-F176 HydrophobicContact CZ2-CB 3.56Å; W171-F176 HydrophobicContact CZ2-CD1 4.14Å; W171-F176 HydrophobicContact CZ2-CD2 4.31Å; W171-F176 AromaticContact CZ2-CG 3.74Å; W171-F176 HydrophobicContact CZ2-CG 3.74Å; E173-F176 PolarHBondContact O-N 3.27Å; E174-F176 PolarHBondContact O-N 2.8Å; F176-Y179 HydrophobicContact CE2-CD1 4.41Å; F176-Y179 PolarHBondContact O-N 3.46Å; F176-R180 WeakPolarHBondContact O-CB 3.34Å; F176-R180 PolarHBondContact O-N 3.25Å; F176-F203 HydrophobicContact CB-CE1 4.17Å; F176-F203 HydrophobicContact CD2-CE1 4.02Å; F176-F203 AromaticContact CD2-CZ 3.92Å; F176-F203 HydrophobicContact CD2-CZ 3.92Å
177	T	88.4	Confident	84.1	Confident	65 Å²	65	78.2 Å²	78.2	40%	0.399	45%	0.446	S	S	.	.	H	α-helix	trans	-64	-40.4	171.1	50.3	0	0	0	0	112	E173 E174 R180 M181	E173-T177 PolarHBondContact O-N 2.97Å; E173-T177 PolarHBondContact O-OG1 3.01Å; E174-T177 WeakPolarHBondContact CA-OG1 3.39Å; E174-T177 PolarHBondContact O-N 2.95Å; E174-T177 VanDerWaalsContact O-N 3.16Å; E174-T177 PolarHBondContact O-OG1 3.37Å; T177-R180 PolarHBondContact O-N 3.33Å; T177-M181 WeakPolarHBondContact O-CB 3.28Å; T177-M181 VanDerWaalsContact O-CG 3.25Å; T177-M181 WeakPolarHBondContact O-CG 3.47Å; T177-M181 PolarHBondContact O-N 3Å
178	D	87.2	Confident	84.2	Confident	91 Å²	91	78.5 Å²	78.5	49%	0.487	45%	0.45	S	S	.	.	H	α-helix	trans	-62.2	-44.9	174.8	-77.5	-18.9	0	0	0	111.6	E174 R180 M181 Q182	E174-D178 PolarHBondContact O-N 3.43Å; D178-R180 PolarHBondContact O-N 2.85Å; D178-M181 PolarHBondContact O-N 3.09Å; D178-Q182 WeakPolarHBondContact O-CB 3.48Å; D178-Q182 VanDerWaalsContact O-CG 3.23Å; D178-Q182 WeakPolarHBondContact O-CG 3.44Å; D178-Q182 PolarHBondContact O-N 3.45Å
179	Y	86.8	Confident	84.5	Confident	12 Å²	12	75 Å²	75	5%	0.047	41%	0.414	C	S	.	.	H	α-helix	trans	-60.1	-44.9	174.8	-179.1	-111	0	0	0	111.9	F153 K175 F176 M181 Q182 H183 L189 L197 Y202 F203	F153-Y179 HydrophobicContact CE1-CD1 4.25Å; F153-Y179 AromaticContact CE1-CE1 3.88Å; F153-Y179 HydrophobicContact CE1-CE1 3.88Å; K175-Y179 WeakPolarHBondContact O-CB 3.31Å; K175-Y179 PolarHBondContact O-N 2.91Å; K175-Y179 VanDerWaalsContact O-N 3.08Å; F176-Y179 HydrophobicContact CE2-CD1 4.41Å; F176-Y179 PolarHBondContact O-N 3.46Å; Y179-M181 VanDerWaalsContact C-N 3.33Å; Y179-M181 PolarHBondContact O-N 2.91Å; Y179-Q182 PolarHBondContact O-N 3.43Å; Y179-H183 AromaticContact CD2-CD2 3.67Å; Y179-H183 AromaticContact CE2-CD2 3.23Å; Y179-H183 WeakPolarHBondContact CE2-CD2 3.37Å; Y179-H183 AromaticContact CE2-NE2 3.26Å; Y179-H183 VanDerWaalsContact CE2-NE2 3.26Å; Y179-H183 WeakPolarHBondContact CE2-NE2 3.48Å; Y179-H183 AromaticContact CZ-CD2 3.59Å; Y179-H183 AromaticContact CZ-NE2 3.75Å; Y179-H183 PolarHBondContact O-CD2 3.18Å; Y179-H183 PolarHBondContact O-N 3.45Å; Y179-L189 HydrophobicContact CE1-CD1 4.3Å; Y179-L197 HydrophobicContact CD1-CD1 4.47Å; Y179-L197 HydrophobicContact CD1-CD2 4.39Å; Y179-L197 HydrophobicContact CD2-CD1 4.21Å; Y179-L197 HydrophobicContact CE1-CD1 3.92Å; Y179-L197 HydrophobicContact CE1-CD2 3.55Å; Y179-L197 HydrophobicContact CE1-CG 4.39Å; Y179-L197 HydrophobicContact CE2-CD1 3.65Å; Y179-Y202 HydrophobicContact CD2-CD1 4.38Å; Y179-Y202 AromaticContact CD2-CE1 3.93Å; Y179-Y202 HydrophobicContact CD2-CE1 3.93Å; Y179-Y202 HydrophobicContact CD2-CE2 4.1Å; Y179-Y202 AromaticContact CD2-CZ 3.77Å; Y179-Y202 HydrophobicContact CG-CE1 4.17Å; Y179-F203 HydrophobicContact CD1-CZ 4.14Å; Y179-F203 HydrophobicContact CG-CZ 4.18Å
180	R	87.6	Confident	84.9	Confident	95 Å²	95	74.3 Å²	74.3	36%	0.358	41%	0.413	S	S	.	.	H	α-helix	trans	-63.2	-36.6	176.3	-171.1	176.2	-179.2	141.4	8.8	112.3	F153 E154 F176 T177 D178 H183 S184	F153-R180 HydrophobicContact CD2-CG 4.2Å; F153-R180 HydrophobicContact CE2-CG 4.45Å; F153-R180 HydrophobicContact CG-CG 4.37Å; E154-R180 IonicContact OE1-CZ 2.74Å; E154-R180 IonicContact OE1-NH1 2.75Å; E154-R180 PolarHBondContact OE1-NH1 3.41Å; E154-R180 IonicContact OE1-NH2 2.9Å; E154-R180 PolarHBondContact OE1-NH2 3.18Å; F176-R180 WeakPolarHBondContact O-CB 3.34Å; F176-R180 PolarHBondContact O-N 3.25Å; T177-R180 PolarHBondContact O-N 3.33Å; D178-R180 PolarHBondContact O-N 2.85Å; R180-H183 CarbonylContact O-C 3.52Å; R180-S184 WeakPolarHBondContact O-CA 3.28Å; R180-S184 PolarHBondContact O-N 3.29Å; R180-S184 VanDerWaalsContact O-N 3.13Å
181	M	85.4	Confident	85.4	Confident	138 Å²	138	71.3 Å²	71.3	68%	0.68	38%	0.382	S	S	*	.	H	α-helix	trans	-70.7	-43.6	175.2	-71.9	-66.9	-173.8	0	0	112.3	T177 D178 Y179 H183 S184	T177-M181 WeakPolarHBondContact O-CB 3.28Å; T177-M181 VanDerWaalsContact O-CG 3.25Å; T177-M181 WeakPolarHBondContact O-CG 3.47Å; T177-M181 PolarHBondContact O-N 3Å; D178-M181 PolarHBondContact O-N 3.09Å; Y179-M181 VanDerWaalsContact C-N 3.33Å; Y179-M181 PolarHBondContact O-N 2.91Å; M181-H183 PolarHBondContact O-N 3.35Å; M181-S184 WeakPolarHBondContact O-CB 3.31Å; M181-S184 PolarHBondContact O-N 3.48Å; M181-S184 VanDerWaalsContact O-N 3.11Å; M181-S184 PolarHBondContact O-OG 2.96Å
182	Q	83	Confident	85.5	Confident	129 Å²	129	71.1 Å²	71.1	60%	0.603	38%	0.381	S	S	*	.	H	α-helix	trans	-60	-33.7	175	-71.8	169.2	42.5	0	0	112	D178 Y179 Y202	D178-Q182 WeakPolarHBondContact O-CB 3.48Å; D178-Q182 VanDerWaalsContact O-CG 3.23Å; D178-Q182 WeakPolarHBondContact O-CG 3.44Å; D178-Q182 PolarHBondContact O-N 3.45Å; Y179-Q182 PolarHBondContact O-N 3.43Å; Q182-Y202 PolarHBondContact NE2-OH 3.48Å; Q182-Y202 PolarHBondContact OE1-OH 3.37Å
183	H	79.6	Confident	85.7	Confident	66 Å²	66	71 Å²	71	31%	0.306	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	14	176.3	-75.5	-82.2	0	0	0	114.9	F153 Y179 R180 M181 A185 K186	F153-H183 HydrophobicContact CZ-CB 3.94Å; Y179-H183 AromaticContact CD2-CD2 3.67Å; Y179-H183 AromaticContact CE2-CD2 3.23Å; Y179-H183 WeakPolarHBondContact CE2-CD2 3.37Å; Y179-H183 AromaticContact CE2-NE2 3.26Å; Y179-H183 VanDerWaalsContact CE2-NE2 3.26Å; Y179-H183 WeakPolarHBondContact CE2-NE2 3.48Å; Y179-H183 AromaticContact CZ-CD2 3.59Å; Y179-H183 AromaticContact CZ-NE2 3.75Å; Y179-H183 PolarHBondContact O-CD2 3.18Å; Y179-H183 PolarHBondContact O-N 3.45Å; R180-H183 CarbonylContact O-C 3.52Å; M181-H183 PolarHBondContact O-N 3.35Å; H183-A185 PolarHBondContact O-N 3.34Å; H183-K186 PolarHBondContact O-N 3.34Å; H183-K186 VanDerWaalsContact O-O 3.11Å
184	S	68.2	Low	85.9	Confident	91 Å²	91	65.7 Å²	65.7	64%	0.636	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-19.4	-170.6	49.4	0	0	0	0	117.4	R180 M181 K186	R180-S184 WeakPolarHBondContact O-CA 3.28Å; R180-S184 PolarHBondContact O-N 3.29Å; R180-S184 VanDerWaalsContact O-N 3.13Å; M181-S184 WeakPolarHBondContact O-CB 3.31Å; M181-S184 PolarHBondContact O-N 3.48Å; M181-S184 VanDerWaalsContact O-N 3.11Å; M181-S184 PolarHBondContact O-OG 2.96Å; S184-K186 PolarHBondContact O-N 2.89Å
185	A	70	Confident	86.2	Confident	107 Å²	107	58.6 Å²	58.6	88%	0.884	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-10.3	171.8	0	0	0	0	0	114.2	H183	H183-A185 PolarHBondContact O-N 3.34Å
186	K	77.6	Confident	86.4	Confident	101 Å²	101	58.8 Å²	58.8	44%	0.439	32%	0.32	S	S	.	.			trans	-119.1	155	171.5	-65.2	-174.5	179.5	-172.3	0	109.3	F153 H183 S184 E193	F153-K186 WeakPolarHBondContact CE2-O 3.49Å; H183-K186 PolarHBondContact O-N 3.34Å; H183-K186 VanDerWaalsContact O-O 3.11Å; S184-K186 PolarHBondContact O-N 2.89Å; K186-E193 IonicContact NZ-OE1 2.67Å; K186-E193 PolarHBondContact NZ-OE1 2.74Å; K186-E193 IonicContact NZ-OE2 2.69Å
187	S	83.6	Confident	86.4	Confident	85 Å²	85	59.1 Å²	59.1	59%	0.594	32%	0.322	S	S	*	.	S	Bend	trans	-112.9	0.8	172.7	55.7	0	0	0	0	113.5	F153	F153-S187 VanDerWaalsContact CD2-C 3.42Å; F153-S187 VanDerWaalsContact CD2-O 3.3Å; F153-S187 WeakPolarHBondContact CD2-O 3.47Å; F153-S187 PolarHBondContact N-O 3.39Å
188	C	91.6	Very high	86.5	Confident	30 Å²	30	56.2 Å²	56.2	20%	0.203	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	162.7	-172	55.7	0	0	0	0	111.1	V150 I151 V152	V150-C188 HydrophobicContact CB-CB 3.94Å; V150-C188 HydrophobicContact CG2-CB 4.09Å; I151-C188 CarbonylContact O-C 3.54Å; I151-C188 WeakPolarHBondContact O-CA 3.25Å; I151-C188 WeakPolarHBondContact O-CB 3.45Å; V152-C188 HydrophobicContact CG1-CB 4.48Å
189	L	92.8	Very high	86.4	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	151.5	177.5	-57.6	-178.6	0	0	0	111.1	V150 I151 F153 V156 Y179 E193 L197	V150-L189 WeakPolarHBondContact CA-O 3.18Å; I151-L189 HydrophobicContact CG2-CB 3.99Å; I151-L189 PolarHBondContact N-O 3.42Å; I151-L189 PolarHBondContact O-N 3.41Å; F153-L189 HydrophobicContact CE1-CD1 4.43Å; F153-L189 HydrophobicContact CE1-CD2 4.15Å; F153-L189 HydrophobicContact CE1-CG 4.16Å; F153-L189 HydrophobicContact CZ-CD2 4.17Å; V156-L189 HydrophobicContact CG1-CD1 4.22Å; V156-L189 HydrophobicContact CG2-CD1 4.02Å; V156-L189 HydrophobicContact CG2-CG 4.37Å; Y179-L189 HydrophobicContact CE1-CD1 4.3Å; L189-E193 HydrophobicContact CB-CB 4.15Å; L189-E193 HydrophobicContact CD2-CB 4.3Å; L189-L197 HydrophobicContact CD1-CD2 3.91Å
190	T	93.3	Very high	86.1	Confident	51 Å²	51	55.3 Å²	55.3	31%	0.313	30%	0.303	S	S	.	.			trans	-79.1	166.7	162.5	62.7	0	0	0	0	111.2	W192 E193 L194	T190-W192 PolarHBondContact O-N 2.64Å; T190-E193 WeakPolarHBondContact CB-OE2 3.48Å; T190-E193 WeakPolarHBondContact CG2-OE2 3.46Å; T190-E193 PolarHBondContact N-OE2 3.42Å; T190-E193 PolarHBondContact O-N 3.36Å; T190-E193 WeakPolarHBondContact OG1-CG 3.21Å; T190-E193 PolarHBondContact OG1-OE2 3.35Å; T190-L194 PolarHBondContact O-N 3.24Å
191	V	93.2	Very high	85.1	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-33	178.4	71.3	0	0	0	0	113.4	W136 F139 L194 I195	W136-V191 HydrophobicContact CB-CG2 4.23Å; W136-V191 VanDerWaalsContact CD1-CG2 3.44Å; W136-V191 HydrophobicContact CG-CG2 4.13Å; F139-V191 HydrophobicContact CB-CB 4.26Å; F139-V191 HydrophobicContact CB-CG2 3.5Å; F139-V191 HydrophobicContact CD1-CB 3.49Å; F139-V191 VanDerWaalsContact CD1-CB 3.49Å; F139-V191 HydrophobicContact CD1-CG2 3.52Å; F139-V191 HydrophobicContact CD2-CB 3.76Å; F139-V191 HydrophobicContact CD2-CG2 3.96Å; F139-V191 HydrophobicContact CE1-CB 3.67Å; F139-V191 HydrophobicContact CE1-CG2 4.23Å; F139-V191 HydrophobicContact CE2-CB 3.91Å; F139-V191 VanDerWaalsContact CE2-N 3.32Å; F139-V191 HydrophobicContact CG-CB 3.55Å; F139-V191 HydrophobicContact CG-CG2 3.36Å; F139-V191 HydrophobicContact CZ-CB 3.87Å; V191-L194 PolarHBondContact O-N 3Å; V191-I195 HydrophobicContact CG2-CD1 3.98Å; V191-I195 HydrophobicContact CG2-CG1 4.49Å; V191-I195 WeakPolarHBondContact O-CB 3.46Å; V191-I195 WeakPolarHBondContact O-CD1 3.43Å; V191-I195 VanDerWaalsContact O-CG1 3.24Å; V191-I195 WeakPolarHBondContact O-CG1 3.38Å; V191-I195 PolarHBondContact O-N 3.17Å
192	W	91.4	Very high	84.2	Confident	52 Å²	52	49 Å²	49	20%	0.197	27%	0.273	C	S	.	.	H	α-helix	trans	-71.6	-43.6	-179.9	-45.9	121.9	0	0	0	110.7	W112 C115 N119 I120 T190 L194 I195 E196	W112-W192 HydrophobicContact CZ3-CZ3 4.05Å; C115-W192 HydrophobicContact CB-CH2 4.22Å; C115-W192 HydrophobicContact CB-CZ2 4.38Å; N119-W192 HydrophobicContact CB-CD2 3.46Å; N119-W192 VanDerWaalsContact CB-CD2 3.46Å; N119-W192 HydrophobicContact CB-CE3 3.75Å; N119-W192 HydrophobicContact CB-CG 4.04Å; N119-W192 HydrophobicContact CB-CH2 3.92Å; N119-W192 HydrophobicContact CB-CZ2 3.62Å; N119-W192 HydrophobicContact CB-CZ3 3.97Å; N119-W192 WeakPolarHBondContact ND2-CZ2 3.27Å; I120-W192 HydrophobicContact CD1-CE3 4.34Å; I120-W192 HydrophobicContact CD1-CZ3 4.03Å; I120-W192 HydrophobicContact CG1-CE3 3.9Å; I120-W192 HydrophobicContact CG1-CZ3 3.89Å; T190-W192 PolarHBondContact O-N 2.64Å; W192-L194 VanDerWaalsContact C-N 3.3Å; W192-L194 PolarHBondContact O-N 2.83Å; W192-I195 HydrophobicContact CE3-CD1 4.06Å; W192-I195 HydrophobicContact CZ3-CD1 4.24Å; W192-I195 PolarHBondContact O-N 3.42Å; W192-E196 WeakPolarHBondContact O-CG 3.46Å; W192-E196 PolarHBondContact O-N 2.82Å
193	E	90.8	Very high	83.3	Confident	43 Å²	43	43.9 Å²	43.9	20%	0.201	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-37.3	173.3	-69.5	165.3	122.7	0	0	111.9	K186 L189 T190 L197	K186-E193 IonicContact NZ-OE1 2.67Å; K186-E193 PolarHBondContact NZ-OE1 2.74Å; K186-E193 IonicContact NZ-OE2 2.69Å; L189-E193 HydrophobicContact CB-CB 4.15Å; L189-E193 HydrophobicContact CD2-CB 4.3Å; T190-E193 WeakPolarHBondContact CB-OE2 3.48Å; T190-E193 WeakPolarHBondContact CG2-OE2 3.46Å; T190-E193 PolarHBondContact N-OE2 3.42Å; T190-E193 PolarHBondContact O-N 3.36Å; T190-E193 WeakPolarHBondContact OG1-CG 3.21Å; T190-E193 PolarHBondContact OG1-OE2 3.35Å; E193-L197 VanDerWaalsContact O-CB 3.29Å; E193-L197 WeakPolarHBondContact O-CB 3.43Å; E193-L197 PolarHBondContact O-N 3.36Å
194	L	93.3	Very high	82.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-68.3	-40.9	174	-173.6	68.2	0	0	0	112.6	V135 F139 I151 V156 F159 T190 V191 W192 E196 L197 V198	V135-L194 HydrophobicContact CG1-CD2 4.28Å; V135-L194 HydrophobicContact CG1-CG 4.27Å; F139-L194 HydrophobicContact CB-CD2 4.07Å; F139-L194 HydrophobicContact CD2-CD2 4.13Å; I151-L194 HydrophobicContact CD1-CD2 4.2Å; I151-L194 HydrophobicContact CG2-CD2 4.42Å; V156-L194 HydrophobicContact CG1-CD1 3.99Å; V156-L194 HydrophobicContact CG2-CD1 4.36Å; F159-L194 HydrophobicContact CD1-CD1 4.13Å; F159-L194 HydrophobicContact CD1-CD2 4.04Å; F159-L194 HydrophobicContact CD1-CG 4.44Å; F159-L194 HydrophobicContact CE1-CD1 4.3Å; F159-L194 HydrophobicContact CE1-CD2 4.06Å; F159-L194 HydrophobicContact CE1-CG 4.29Å; T190-L194 PolarHBondContact O-N 3.24Å; V191-L194 PolarHBondContact O-N 3Å; W192-L194 VanDerWaalsContact C-N 3.3Å; W192-L194 PolarHBondContact O-N 2.83Å; L194-E196 VanDerWaalsContact C-N 3.33Å; L194-L197 HydrophobicContact CD1-CD2 4.44Å; L194-L197 PolarHBondContact O-N 2.9Å; L194-V198 WeakPolarHBondContact O-CG2 3.1Å; L194-V198 PolarHBondContact O-N 2.75Å
195	I	92.6	Very high	82.3	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-38.6	176.2	-73	166.2	0	0	0	110.9	W112 I120 L125 I127 A132 V135 W136 V191 W192 G199	W112-I195 HydrophobicContact CH2-CD1 4.12Å; W112-I195 HydrophobicContact CZ3-CD1 4.17Å; I120-I195 HydrophobicContact CD1-CD1 4.3Å; I120-I195 HydrophobicContact CD1-CG2 4.34Å; L125-I195 HydrophobicContact CD1-CG2 3.89Å; I127-I195 HydrophobicContact CD1-CG2 4.3Å; A132-I195 HydrophobicContact CB-CG2 4.12Å; V135-I195 HydrophobicContact CB-CG1 4.2Å; V135-I195 HydrophobicContact CG1-CG1 3.78Å; W136-I195 HydrophobicContact CB-CD1 4.22Å; V191-I195 HydrophobicContact CG2-CD1 3.98Å; V191-I195 HydrophobicContact CG2-CG1 4.49Å; V191-I195 WeakPolarHBondContact O-CB 3.46Å; V191-I195 WeakPolarHBondContact O-CD1 3.43Å; V191-I195 VanDerWaalsContact O-CG1 3.24Å; V191-I195 WeakPolarHBondContact O-CG1 3.38Å; V191-I195 PolarHBondContact O-N 3.17Å; W192-I195 HydrophobicContact CE3-CD1 4.06Å; W192-I195 HydrophobicContact CZ3-CD1 4.24Å; W192-I195 PolarHBondContact O-N 3.42Å; I195-G199 WeakPolarHBondContact O-CA 3.49Å; I195-G199 PolarHBondContact O-N 2.77Å
196	E	89.3	Confident	82.2	Confident	72 Å²	72	45.8 Å²	45.8	34%	0.336	24%	0.241	S	C	.	.	H	α-helix	trans	-67.3	-44.5	172.7	-67.2	-164.3	143.6	0	0	111.6	L125 W192 L194 V198 G199 V200	L125-E196 HydrophobicContact CD2-CB 4.44Å; L125-E196 HydrophobicContact CD2-CG 4.23Å; W192-E196 WeakPolarHBondContact O-CG 3.46Å; W192-E196 PolarHBondContact O-N 2.82Å; L194-E196 VanDerWaalsContact C-N 3.33Å; E196-V198 PolarHBondContact O-N 3.03Å; E196-G199 PolarHBondContact O-N 3.31Å; E196-V200 WeakPolarHBondContact O-CB 3.28Å; E196-V200 WeakPolarHBondContact O-CG2 3.49Å; E196-V200 PolarHBondContact O-N 2.95Å
197	L	89.6	Confident	82	Confident	10 Å²	10	42 Å²	42	5%	0.052	23%	0.226	C	C	.	.	H	α-helix	trans	-58	-44.8	179	-176.2	61.5	0	0	0	112.9	V156 L160 Y179 L189 E193 L194 Y202 F203	V156-L197 HydrophobicContact CG1-CD2 4.02Å; L160-L197 HydrophobicContact CD1-CD2 4.15Å; Y179-L197 HydrophobicContact CD1-CD1 4.47Å; Y179-L197 HydrophobicContact CD1-CD2 4.39Å; Y179-L197 HydrophobicContact CD2-CD1 4.21Å; Y179-L197 HydrophobicContact CE1-CD1 3.92Å; Y179-L197 HydrophobicContact CE1-CD2 3.55Å; Y179-L197 HydrophobicContact CE1-CG 4.39Å; Y179-L197 HydrophobicContact CE2-CD1 3.65Å; L189-L197 HydrophobicContact CD1-CD2 3.91Å; E193-L197 VanDerWaalsContact O-CB 3.29Å; E193-L197 WeakPolarHBondContact O-CB 3.43Å; E193-L197 PolarHBondContact O-N 3.36Å; L194-L197 HydrophobicContact CD1-CD2 4.44Å; L194-L197 PolarHBondContact O-N 2.9Å; L197-Y202 HydrophobicContact CD1-CD1 4.49Å; L197-Y202 HydrophobicContact CD1-CG 4.07Å; L197-F203 HydrophobicContact CD1-CE2 3.69Å; L197-F203 HydrophobicContact CD1-CZ 4.12Å; L197-F203 HydrophobicContact CD2-CE2 4.12Å; L197-F203 HydrophobicContact CG-CE2 3.9Å
198	V	90.2	Very high	82	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.024	22%	0.22	C	C	.	.	H	α-helix	trans	-72.2	-43	174.2	176.5	0	0	0	0	111	I127 V135 F159 L160 L163 L194 E196 V200 I201 L212 I216	I127-V198 HydrophobicContact CG2-CG1 4.5Å; V135-V198 HydrophobicContact CG1-CG2 4.41Å; V135-V198 HydrophobicContact CG2-CG1 4.2Å; F159-V198 HydrophobicContact CE1-CG2 3.75Å; F159-V198 HydrophobicContact CZ-CG2 4.17Å; L160-V198 HydrophobicContact CD2-CG2 4.35Å; L163-V198 HydrophobicContact CD2-CG1 4.1Å; L194-V198 WeakPolarHBondContact O-CG2 3.1Å; L194-V198 PolarHBondContact O-N 2.75Å; E196-V198 PolarHBondContact O-N 3.03Å; V198-V200 VanDerWaalsContact C-N 3.32Å; V198-V200 PolarHBondContact O-N 3.28Å; V198-I201 PolarHBondContact O-N 3.38Å; V198-I201 VanDerWaalsContact O-N 3.16Å; V198-L212 HydrophobicContact CG1-CD1 4.43Å; V198-I216 HydrophobicContact CG1-CD1 3.86Å
199	G	85	Confident	81.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-72.6	-18.9	-173.2	0	0	0	0	0	115.7	I126 I195 E196	I126-G199 PolarHBondContact N-O 2.63Å; I195-G199 WeakPolarHBondContact O-CA 3.49Å; I195-G199 PolarHBondContact O-N 2.77Å; E196-G199 PolarHBondContact O-N 3.31Å
200	V	79.8	Confident	81.6	Confident	84 Å²	84	53.7 Å²	53.7	51%	0.509	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-6.4	173.3	178.3	0	0	0	0	112	L125 E196 V198 Y202	L125-V200 HydrophobicContact CD2-CG2 4.25Å; E196-V200 WeakPolarHBondContact O-CB 3.28Å; E196-V200 WeakPolarHBondContact O-CG2 3.49Å; E196-V200 PolarHBondContact O-N 2.95Å; V198-V200 VanDerWaalsContact C-N 3.32Å; V198-V200 PolarHBondContact O-N 3.28Å; V200-Y202 PolarHBondContact O-N 3.23Å
201	I	66.8	Low	81.5	Confident	20 Å²	20	54.9 Å²	54.9	10%	0.103	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	41.2	176.7	-32	-178	0	0	0	113.3	I126 V198 F203 S204 V207 L212	I126-I201 HydrophobicContact CB-CD1 4.25Å; I126-I201 HydrophobicContact CD1-CD1 3.67Å; I126-I201 HydrophobicContact CD1-CG1 4.03Å; I126-I201 HydrophobicContact CG2-CD1 4.09Å; V198-I201 PolarHBondContact O-N 3.38Å; V198-I201 VanDerWaalsContact O-N 3.16Å; I201-F203 PolarHBondContact O-N 3.18Å; I201-S204 VanDerWaalsContact CG2-O 3.27Å; I201-S204 WeakPolarHBondContact CG2-O 3.47Å; I201-S204 PolarHBondContact O-N 2.74Å; I201-V207 HydrophobicContact CG2-CB 4.22Å; I201-L212 HydrophobicContact CD1-CD2 3.75Å; I201-L212 HydrophobicContact CG1-CD2 3.75Å
202	Y	67	Low	81.3	Confident	80 Å²	80	55 Å²	55	31%	0.314	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-31.9	-173.7	-173.6	-83.5	0	0	0	114.5	Y179 Q182 L197 V200	Y179-Y202 HydrophobicContact CD2-CD1 4.38Å; Y179-Y202 AromaticContact CD2-CE1 3.93Å; Y179-Y202 HydrophobicContact CD2-CE1 3.93Å; Y179-Y202 HydrophobicContact CD2-CE2 4.1Å; Y179-Y202 AromaticContact CD2-CZ 3.77Å; Y179-Y202 HydrophobicContact CG-CE1 4.17Å; Q182-Y202 PolarHBondContact NE2-OH 3.48Å; Q182-Y202 PolarHBondContact OE1-OH 3.37Å; L197-Y202 HydrophobicContact CD1-CD1 4.49Å; L197-Y202 HydrophobicContact CD1-CG 4.07Å; V200-Y202 PolarHBondContact O-N 3.23Å
203	F	64.4	Low	81.4	Confident	22 Å²	22	53.8 Å²	53.8	10%	0.096	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-17.4	-175.7	-59.3	-75.6	0	0	0	114.5	L160 K175 F176 Y179 L197 I201	L160-F203 HydrophobicContact CD1-CD2 3.98Å; L160-F203 HydrophobicContact CD1-CE2 3.39Å; L160-F203 HydrophobicContact CD1-CZ 3.83Å; L160-F203 HydrophobicContact CD2-CD2 4.07Å; L160-F203 HydrophobicContact CD2-CE2 4.1Å; L160-F203 HydrophobicContact CG-CE2 4.36Å; K175-F203 HydrophobicContact CB-CD1 4.01Å; K175-F203 HydrophobicContact CB-CE1 4.36Å; K175-F203 PolarHBondContact NZ-O 2.9Å; F176-F203 HydrophobicContact CB-CE1 4.17Å; F176-F203 HydrophobicContact CD2-CE1 4.02Å; F176-F203 AromaticContact CD2-CZ 3.92Å; F176-F203 HydrophobicContact CD2-CZ 3.92Å; Y179-F203 HydrophobicContact CD1-CZ 4.14Å; Y179-F203 HydrophobicContact CG-CZ 4.18Å; L197-F203 HydrophobicContact CD1-CE2 3.69Å; L197-F203 HydrophobicContact CD1-CZ 4.12Å; L197-F203 HydrophobicContact CD2-CE2 4.12Å; L197-F203 HydrophobicContact CG-CE2 3.9Å; I201-F203 PolarHBondContact O-N 3.18Å
204	S	64.9	Low	81.5	Confident	14 Å²	14	57.3 Å²	57.3	10%	0.098	29%	0.287	C	S	.	.			trans	-142.6	70.9	-163.5	-47.1	0	0	0	0	112.5	I201 D206 V207	I201-S204 VanDerWaalsContact CG2-O 3.27Å; I201-S204 WeakPolarHBondContact CG2-O 3.47Å; I201-S204 PolarHBondContact O-N 2.74Å; S204-D206 PolarHBondContact O-N 2.71Å; S204-V207 VanDerWaalsContact CB-CG2 3.42Å; S204-V207 PolarHBondContact O-N 2.93Å; S204-V207 VanDerWaalsContact O-N 3.12Å
205	N	61.7	Low	81.5	Confident	126 Å²	126	57.4 Å²	57.4	67%	0.674	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-24.9	-169.6	-55.5	39.7	0	0	0	116.4	K175	K175-N205 PolarHBondContact NZ-OD1 2.97Å
206	D	67.9	Low	81.7	Confident	164 Å²	164	57.3 Å²	57.3	88%	0.877	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	15.9	-172.9	-55.1	-79.4	0	0	0	113.7	S204	S204-D206 PolarHBondContact O-N 2.71Å
207	V	73.7	Confident	82	Confident	22 Å²	22	56.8 Å²	56.8	13%	0.133	29%	0.286	C	S	.	.			trans	-81.2	125.4	-177.5	168.1	0	0	0	0	112.4	M167 I169 I201 S204 I211 L212	M167-V207 HydrophobicContact SD-CG1 3.84Å; M167-V207 HydrophobicContact SD-CG2 4.14Å; I169-V207 HydrophobicContact CD1-CG2 3.32Å; I201-V207 HydrophobicContact CG2-CB 4.22Å; S204-V207 VanDerWaalsContact CB-CG2 3.42Å; S204-V207 PolarHBondContact O-N 2.93Å; S204-V207 VanDerWaalsContact O-N 3.12Å; V207-I211 HydrophobicContact CG1-CB 4.31Å; V207-I211 HydrophobicContact CG1-CG2 4.45Å; V207-L212 HydrophobicContact CG1-CB 4Å
208	D	83	Confident	82.2	Confident	89 Å²	89	61.6 Å²	61.6	48%	0.476	31%	0.308	S	S	.	.			trans	-65.7	143.8	170.4	172.7	53.2	0	0	0	112.5	Q210 I211 L212	D208-Q210 VanDerWaalsContact C-N 3.26Å; D208-Q210 PolarHBondContact O-N 2.71Å; D208-Q210 WeakPolarHBondContact OD2-CA 3.21Å; D208-Q210 WeakPolarHBondContact OD2-CB 3.26Å; D208-Q210 PolarHBondContact OD2-N 2.9Å; D208-I211 HydrophobicContact CB-CD1 4.16Å; D208-I211 HydrophobicContact CB-CG1 4.26Å; D208-I211 WeakPolarHBondContact O-CB 3.36Å; D208-I211 PolarHBondContact O-N 3.06Å; D208-I211 VanDerWaalsContact O-N 3.15Å; D208-L212 PolarHBondContact O-N 2.97Å
209	R	86.9	Confident	82.5	Confident	136 Å²	136	61.5 Å²	61.5	51%	0.513	31%	0.308	S	S	.	.	H	α-helix	trans	-56.7	-34.9	179.8	-177.1	179.6	-169.5	-116.5	0.5	113.1	I126 S213	I126-R209 HydrophobicContact CG2-CB 3.94Å; I126-R209 HydrophobicContact CG2-CG 3.89Å; I126-R209 WeakPolarHBondContact O-CD 3.15Å; I126-R209 PolarHBondContact O-NE 3.37Å; R209-S213 WeakPolarHBondContact O-CB 3.48Å; R209-S213 PolarHBondContact O-N 3.26Å
210	Q	89.4	Confident	83	Confident	135 Å²	135	62.2 Å²	62.2	63%	0.631	31%	0.311	S	S	*	.	H	α-helix	trans	-71.9	-41.7	179.1	-168.9	174.7	-38.4	0	0	111	D208 S213 M214	D208-Q210 VanDerWaalsContact C-N 3.26Å; D208-Q210 PolarHBondContact O-N 2.71Å; D208-Q210 WeakPolarHBondContact OD2-CA 3.21Å; D208-Q210 WeakPolarHBondContact OD2-CB 3.26Å; D208-Q210 PolarHBondContact OD2-N 2.9Å; Q210-S213 PolarHBondContact O-N 2.85Å; Q210-M214 HydrophobicContact CG-SD 4.23Å; Q210-M214 WeakPolarHBondContact O-CB 3.33Å; Q210-M214 VanDerWaalsContact O-CG 3.3Å; Q210-M214 WeakPolarHBondContact O-CG 3.22Å; Q210-M214 PolarHBondContact O-N 3.3Å
211	I	90.1	Very high	83.7	Confident	77 Å²	77	59.2 Å²	59.2	40%	0.395	29%	0.294	S	S	.	.	H	α-helix	trans	-58.3	-51.1	174.3	-58.2	175.7	0	0	0	109.5	M167 V207 D208 S213 M214 S215	M167-I211 HydrophobicContact CB-CG2 4.29Å; M167-I211 HydrophobicContact CG-CG2 4.14Å; V207-I211 HydrophobicContact CG1-CB 4.31Å; V207-I211 HydrophobicContact CG1-CG2 4.45Å; D208-I211 HydrophobicContact CB-CD1 4.16Å; D208-I211 HydrophobicContact CB-CG1 4.26Å; D208-I211 WeakPolarHBondContact O-CB 3.36Å; D208-I211 PolarHBondContact O-N 3.06Å; D208-I211 VanDerWaalsContact O-N 3.15Å; I211-S213 PolarHBondContact O-N 3.32Å; I211-M214 WeakPolarHBondContact O-CB 3.42Å; I211-M214 PolarHBondContact O-N 3.19Å; I211-M214 VanDerWaalsContact O-N 3.14Å; I211-S215 PolarHBondContact O-N 3Å; I211-S215 PolarHBondContact O-OG 3.43Å; I211-S215 VanDerWaalsContact O-OG 3.1Å
212	L	90.6	Very high	85	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.016	30%	0.298	C	S	.	.	H	α-helix	trans	-58.6	-44.4	178.4	-179.4	58.8	0	0	0	112.7	I127 L163 M167 V198 I201 V207 D208 S215 I216	I127-L212 HydrophobicContact CG2-CD2 3.56Å; I127-L212 HydrophobicContact CG2-CG 4.07Å; L163-L212 HydrophobicContact CD1-CD1 4.36Å; L163-L212 HydrophobicContact CD2-CD1 3.98Å; L163-L212 HydrophobicContact CG-CD1 4.41Å; M167-L212 HydrophobicContact SD-CD1 4.12Å; V198-L212 HydrophobicContact CG1-CD1 4.43Å; I201-L212 HydrophobicContact CD1-CD2 3.75Å; I201-L212 HydrophobicContact CG1-CD2 3.75Å; V207-L212 HydrophobicContact CG1-CB 4Å; D208-L212 PolarHBondContact O-N 2.97Å; L212-S215 PolarHBondContact O-N 3.02Å; L212-I216 HydrophobicContact CD1-CD1 4Å; L212-I216 HydrophobicContact CD1-CG1 4.22Å; L212-I216 HydrophobicContact CG-CD1 3.96Å; L212-I216 VanDerWaalsContact O-CG1 3.25Å; L212-I216 WeakPolarHBondContact O-CG1 3.09Å; L212-I216 PolarHBondContact O-N 3.34Å
213	S	92.9	Very high	86.3	Confident	27 Å²	27	56.4 Å²	56.4	19%	0.189	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-39	176.5	-176.7	0	0	0	0	112	D131 R209 Q210 I211 I216 N217	D131-S213 PolarHBondContact OD1-OG 2.97Å; D131-S213 PolarHBondContact OD2-OG 3.08Å; R209-S213 WeakPolarHBondContact O-CB 3.48Å; R209-S213 PolarHBondContact O-N 3.26Å; Q210-S213 PolarHBondContact O-N 2.85Å; I211-S213 PolarHBondContact O-N 3.32Å; S213-I216 PolarHBondContact O-N 3.13Å; S213-N217 PolarHBondContact O-N 3.47Å; S213-N217 PolarHBondContact O-ND2 2.9Å
214	M	92.8	Very high	87.6	Confident	117 Å²	117	56.6 Å²	56.6	58%	0.576	29%	0.285	S	S	*	.	H	α-helix	trans	-61.5	-45.8	174.6	-73.8	174.9	62	0	0	111.7	Q210 I211 N217 E218	Q210-M214 HydrophobicContact CG-SD 4.23Å; Q210-M214 WeakPolarHBondContact O-CB 3.33Å; Q210-M214 VanDerWaalsContact O-CG 3.3Å; Q210-M214 WeakPolarHBondContact O-CG 3.22Å; Q210-M214 PolarHBondContact O-N 3.3Å; I211-M214 WeakPolarHBondContact O-CB 3.42Å; I211-M214 PolarHBondContact O-N 3.19Å; I211-M214 VanDerWaalsContact O-N 3.14Å; M214-N217 WeakPolarHBondContact O-CB 3.47Å; M214-N217 PolarHBondContact O-N 2.93Å; M214-N217 VanDerWaalsContact O-N 3.16Å; M214-E218 PolarHBondContact O-N 2.92Å
215	S	93.6	Very high	88.9	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.014	29%	0.288	C	S	.	.	H	α-helix	trans	-69.4	-35.3	179.3	-51.8	0	0	0	0	112.8	A166 M167 I211 L212 N217 E218 V219	A166-S215 PolarHBondContact O-OG 3.1Å; M167-S215 WeakPolarHBondContact CA-OG 3.46Å; M167-S215 WeakPolarHBondContact CG-OG 3.22Å; M167-S215 PolarHBondContact N-OG 2.89Å; I211-S215 PolarHBondContact O-N 3Å; I211-S215 PolarHBondContact O-OG 3.43Å; I211-S215 VanDerWaalsContact O-OG 3.1Å; L212-S215 PolarHBondContact O-N 3.02Å; S215-N217 VanDerWaalsContact C-N 3.34Å; S215-E218 PolarHBondContact O-N 3.01Å; S215-V219 WeakPolarHBondContact O-CG2 3.42Å; S215-V219 PolarHBondContact O-N 3.18Å
216	I	95.5	Very high	90.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.6	-39.9	169.7	-66.4	168.9	0	0	0	110.6	I127 D131 K134 V135 L163 V198 L212 S213 F220	I127-I216 HydrophobicContact CG2-CD1 3.83Å; D131-I216 HydrophobicContact CB-CD1 4.12Å; D131-I216 HydrophobicContact CB-CG2 4.36Å; K134-I216 HydrophobicContact CB-CG2 3.7Å; K134-I216 HydrophobicContact CD-CG2 3.93Å; K134-I216 HydrophobicContact CG-CG2 4.48Å; V135-I216 HydrophobicContact CG2-CD1 4.16Å; V135-I216 HydrophobicContact CG2-CG1 4.48Å; V135-I216 HydrophobicContact CG2-CG2 4.08Å; L163-I216 HydrophobicContact CD1-CG1 3.75Å; V198-I216 HydrophobicContact CG1-CD1 3.86Å; L212-I216 HydrophobicContact CD1-CD1 4Å; L212-I216 HydrophobicContact CD1-CG1 4.22Å; L212-I216 HydrophobicContact CG-CD1 3.96Å; L212-I216 VanDerWaalsContact O-CG1 3.25Å; L212-I216 WeakPolarHBondContact O-CG1 3.09Å; L212-I216 PolarHBondContact O-N 3.34Å; S213-I216 PolarHBondContact O-N 3.13Å; I216-F220 WeakPolarHBondContact O-CB 3.32Å; I216-F220 PolarHBondContact O-N 2.72Å
217	N	95.4	Very high	91.4	Very high	61 Å²	61	44.9 Å²	44.9	33%	0.326	22%	0.221	S	C	.	.	H	α-helix	trans	-63.4	-40.2	174.3	-78.7	-62.4	0	0	0	112.3	K134 S213 M214 S215 S221	K134-N217 WeakPolarHBondContact CE-OD1 3.44Å; K134-N217 VanDerWaalsContact NZ-CG 3.33Å; K134-N217 PolarHBondContact NZ-ND2 2.86Å; K134-N217 PolarHBondContact NZ-OD1 3.49Å; S213-N217 PolarHBondContact O-N 3.47Å; S213-N217 PolarHBondContact O-ND2 2.9Å; M214-N217 WeakPolarHBondContact O-CB 3.47Å; M214-N217 PolarHBondContact O-N 2.93Å; M214-N217 VanDerWaalsContact O-N 3.16Å; S215-N217 VanDerWaalsContact C-N 3.34Å; N217-S221 VanDerWaalsContact O-CB 3.31Å; N217-S221 WeakPolarHBondContact O-CB 3.45Å; N217-S221 PolarHBondContact O-N 3.16Å; N217-S221 PolarHBondContact O-OG 3.24Å
218	E	94.8	Very high	92.4	Very high	110 Å²	110	46 Å²	46	51%	0.514	23%	0.226	S	C	.	.	H	α-helix	trans	-66.6	-51.2	179.6	-174.9	163.4	-161	0	0	111.4	A166 M214 S215 F220 S221 E222	A166-E218 HydrophobicContact CB-CB 4.36Å; A166-E218 HydrophobicContact CB-CG 4.46Å; M214-E218 PolarHBondContact O-N 2.92Å; S215-E218 PolarHBondContact O-N 3.01Å; E218-F220 VanDerWaalsContact C-N 3.31Å; E218-F220 PolarHBondContact O-N 2.77Å; E218-S221 WeakPolarHBondContact O-CB 3.26Å; E218-S221 PolarHBondContact O-N 2.81Å; E218-E222 PolarHBondContact O-N 2.81Å
219	V	95.9	Very high	93	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-35.2	177.8	179.1	0	0	0	0	111.8	I138 F159 K162 A166 S215 L223	I138-V219 HydrophobicContact CD1-CG1 4.13Å; F159-V219 HydrophobicContact CD2-CG1 3.97Å; F159-V219 HydrophobicContact CE2-CG1 4Å; K162-V219 HydrophobicContact CB-CG1 4.36Å; K162-V219 HydrophobicContact CB-CG2 4.15Å; A166-V219 HydrophobicContact CB-CG2 4.12Å; S215-V219 WeakPolarHBondContact O-CG2 3.42Å; S215-V219 PolarHBondContact O-N 3.18Å; V219-L223 HydrophobicContact CG1-CD1 3.69Å; V219-L223 HydrophobicContact CG1-CG 4.15Å; V219-L223 WeakPolarHBondContact O-CB 3.43Å; V219-L223 WeakPolarHBondContact O-CG 3.38Å; V219-L223 PolarHBondContact O-N 3.1Å
220	F	96.4	Very high	93.4	Very high	16 Å²	16	41.1 Å²	41.1	7%	0.07	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-39.3	171.7	176.1	-97.8	0	0	0	112.2	L105 K134 C137 I138 I216 E218 I224 L225	L105-F220 HydrophobicContact CD2-CZ 3.97Å; K134-F220 HydrophobicContact CB-CB 4.05Å; K134-F220 HydrophobicContact CB-CD2 3.61Å; K134-F220 HydrophobicContact CB-CE2 4.2Å; K134-F220 HydrophobicContact CB-CG 3.88Å; K134-F220 HydrophobicContact CD-CB 4.49Å; K134-F220 HydrophobicContact CD-CG 4.4Å; K134-F220 HydrophobicContact CG-CB 4.23Å; K134-F220 HydrophobicContact CG-CD1 4.09Å; K134-F220 HydrophobicContact CG-CD2 3.78Å; K134-F220 HydrophobicContact CG-CE1 4.39Å; K134-F220 HydrophobicContact CG-CE2 4.1Å; K134-F220 HydrophobicContact CG-CG 3.78Å; K134-F220 HydrophobicContact CG-CZ 4.39Å; C137-F220 HydrophobicContact CB-CD2 4.23Å; C137-F220 HydrophobicContact CB-CE2 3.74Å; I138-F220 HydrophobicContact CD1-CB 4.14Å; I216-F220 WeakPolarHBondContact O-CB 3.32Å; I216-F220 PolarHBondContact O-N 2.72Å; E218-F220 VanDerWaalsContact C-N 3.31Å; E218-F220 PolarHBondContact O-N 2.77Å; F220-I224 HydrophobicContact CD2-CB 3.81Å; F220-I224 HydrophobicContact CD2-CG1 3.72Å; F220-I224 HydrophobicContact CD2-CG2 4.2Å; F220-I224 HydrophobicContact CE2-CB 3.81Å; F220-I224 HydrophobicContact CE2-CG1 4.02Å; F220-I224 HydrophobicContact CE2-CG2 3.66Å; F220-I224 HydrophobicContact CG-CB 4.39Å; F220-I224 HydrophobicContact CZ-CB 4.38Å; F220-I224 HydrophobicContact CZ-CG2 4.07Å; F220-I224 WeakPolarHBondContact O-CA 3.36Å; F220-I224 WeakPolarHBondContact O-CB 3.22Å; F220-I224 PolarHBondContact O-N 3.04Å; F220-L225 HydrophobicContact CD1-CD1 4.19Å; F220-L225 HydrophobicContact CD1-CG 4.16Å; F220-L225 HydrophobicContact CE1-CD1 3.94Å; F220-L225 HydrophobicContact CE1-CD2 3.85Å; F220-L225 HydrophobicContact CE1-CG 3.87Å; F220-L225 HydrophobicContact CZ-CD2 4.16Å; F220-L225 PolarHBondContact O-N 2.97Å
221	S	94.3	Very high	93.7	Very high	20 Å²	20	35.3 Å²	35.3	14%	0.14	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-41.1	177	-61.1	0	0	0	0	111.8	N217 E218 L225 D226 I227	N217-S221 VanDerWaalsContact O-CB 3.31Å; N217-S221 WeakPolarHBondContact O-CB 3.45Å; N217-S221 PolarHBondContact O-N 3.16Å; N217-S221 PolarHBondContact O-OG 3.24Å; E218-S221 WeakPolarHBondContact O-CB 3.26Å; E218-S221 PolarHBondContact O-N 2.81Å; S221-L225 WeakPolarHBondContact O-CB 3.44Å; S221-D226 PolarHBondContact O-N 3.02Å; S221-I227 WeakPolarHBondContact O-CB 3.46Å; S221-I227 PolarHBondContact O-N 3.1Å
222	E	93.6	Very high	94.1	Very high	40 Å²	40	35.6 Å²	35.6	19%	0.187	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-59.3	173.8	-175.1	-176.6	167.4	0	0	111.1	K162 E218 D226 H332	K162-E222 VanDerWaalsContact CE-OE1 3.3Å; K162-E222 WeakPolarHBondContact CE-OE1 3.47Å; K162-E222 WeakPolarHBondContact CE-OE2 3.49Å; K162-E222 IonicContact NZ-OE1 2.74Å; K162-E222 PolarHBondContact NZ-OE1 3.23Å; K162-E222 IonicContact NZ-OE2 2.73Å; K162-E222 PolarHBondContact NZ-OE2 3.3Å; E218-E222 PolarHBondContact O-N 2.81Å; E222-D226 WeakPolarHBondContact O-CA 3.33Å; E222-H332 WeakPolarHBondContact CG-CE1 3.46Å; E222-H332 PolarHBondContact O-CD2 2.59Å; E222-H332 IonicContact OE1-CE1 2.72Å; E222-H332 PolarHBondContact OE1-CE1 2.91Å; E222-H332 IonicContact OE1-ND1 3.28Å; E222-H332 PolarHBondContact OE1-ND1 3.39Å
223	L	93.5	Very high	94.3	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-85.5	-31.9	-165.9	-59.4	-177.4	0	0	0	115	I138 F141 Y158 V219 H332	I138-L223 HydrophobicContact CG2-CD1 4.36Å; F141-L223 HydrophobicContact CD1-CB 4.14Å; F141-L223 HydrophobicContact CE1-CB 4.15Å; F141-L223 HydrophobicContact CE1-CD2 4.28Å; Y158-L223 HydrophobicContact CE1-CD1 4.31Å; Y158-L223 HydrophobicContact CE1-CD2 4.43Å; V219-L223 HydrophobicContact CG1-CD1 3.69Å; V219-L223 HydrophobicContact CG1-CG 4.15Å; V219-L223 WeakPolarHBondContact O-CB 3.43Å; V219-L223 WeakPolarHBondContact O-CG 3.38Å; V219-L223 PolarHBondContact O-N 3.1Å; L223-H332 HydrophobicContact CD2-CB 3.95Å
224	I	92.7	Very high	94.5	Very high	27 Å²	27	36.3 Å²	36.3	14%	0.138	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-31.3	-173.1	-54.1	-57.7	0	0	0	112.3	L105 Y108 C137 I138 F141 F220	L105-I224 HydrophobicContact CD2-CG2 4.48Å; Y108-I224 HydrophobicContact CE2-CG2 4.45Å; C137-I224 HydrophobicContact CB-CD1 4.29Å; C137-I224 HydrophobicContact CB-CG1 4.07Å; C137-I224 HydrophobicContact CB-CG2 4.17Å; C137-I224 WeakPolarHBondContact O-CD1 3.37Å; I138-I224 HydrophobicContact CG1-CD1 4.47Å; I138-I224 HydrophobicContact CG1-CG1 3.99Å; F141-I224 HydrophobicContact CB-CD1 3.4Å; F141-I224 HydrophobicContact CD1-CD1 4.5Å; F141-I224 HydrophobicContact CD2-CD1 4.48Å; F141-I224 HydrophobicContact CG-CD1 3.9Å; F220-I224 HydrophobicContact CD2-CB 3.81Å; F220-I224 HydrophobicContact CD2-CG1 3.72Å; F220-I224 HydrophobicContact CD2-CG2 4.2Å; F220-I224 HydrophobicContact CE2-CB 3.81Å; F220-I224 HydrophobicContact CE2-CG1 4.02Å; F220-I224 HydrophobicContact CE2-CG2 3.66Å; F220-I224 HydrophobicContact CG-CB 4.39Å; F220-I224 HydrophobicContact CZ-CB 4.38Å; F220-I224 HydrophobicContact CZ-CG2 4.07Å; F220-I224 WeakPolarHBondContact O-CA 3.36Å; F220-I224 WeakPolarHBondContact O-CB 3.22Å; F220-I224 PolarHBondContact O-N 3.04Å
225	L	91.3	Very high	94.6	Very high	30 Å²	30	31.5 Å²	31.5	16%	0.157	16%	0.155	C	C	.	.	S	Bend	trans	-94.4	-3.9	177.1	-51.9	-173.9	0	0	0	112.8	L105 F220 S221 I227 R251	L105-L225 HydrophobicContact CD1-CD2 3.79Å; L105-L225 HydrophobicContact CD2-CD2 3.87Å; L105-L225 HydrophobicContact CG-CD2 4.27Å; F220-L225 HydrophobicContact CD1-CD1 4.19Å; F220-L225 HydrophobicContact CD1-CG 4.16Å; F220-L225 HydrophobicContact CE1-CD1 3.94Å; F220-L225 HydrophobicContact CE1-CD2 3.85Å; F220-L225 HydrophobicContact CE1-CG 3.87Å; F220-L225 HydrophobicContact CZ-CD2 4.16Å; F220-L225 PolarHBondContact O-N 2.97Å; S221-L225 WeakPolarHBondContact O-CB 3.44Å; L225-I227 HydrophobicContact CB-CD1 3.75Å; L225-I227 HydrophobicContact CB-CG1 3.77Å; L225-I227 HydrophobicContact CD1-CD1 3.88Å; L225-I227 HydrophobicContact CG-CD1 4.48Å; L225-I227 PolarHBondContact O-N 2.71Å; L225-R251 PolarHBondContact O-NH1 3.22Å
226	D	90.4	Very high	94.6	Very high	14 Å²	14	32.9 Å²	32.9	8%	0.075	16%	0.161	C	C	.	.			trans	49.6	38.4	-172.8	-78.5	-60.8	0	0	0	111.9	S221 E222 L228 R251 P252 S330 R333	S221-D226 PolarHBondContact O-N 3.02Å; E222-D226 WeakPolarHBondContact O-CA 3.33Å; D226-L228 PolarHBondContact O-N 2.73Å; D226-R251 WeakPolarHBondContact O-CA 3.36Å; D226-P252 HydrophobicContact CB-CG 4.2Å; D226-P252 WeakPolarHBondContact O-CD 3.44Å; D226-S330 WeakPolarHBondContact OD1-CB 3.39Å; D226-S330 PolarHBondContact OD1-OG 2.69Å; D226-R333 IonicContact OD2-CZ 2.64Å; D226-R333 IonicContact OD2-NE 3.61Å; D226-R333 PolarHBondContact OD2-NE 3.4Å; D226-R333 IonicContact OD2-NH2 3.01Å; D226-R333 PolarHBondContact OD2-NH2 3.39Å
227	I	93.4	Very high	94.2	Very high	13 Å²	13	34.2 Å²	34.2	7%	0.067	17%	0.174	C	C	.	.			trans	-84.2	98.9	178.9	-64.2	173.6	0	0	0	109.1	S221 L225 Q230 V249 L250 R251	S221-I227 WeakPolarHBondContact O-CB 3.46Å; S221-I227 PolarHBondContact O-N 3.1Å; L225-I227 HydrophobicContact CB-CD1 3.75Å; L225-I227 HydrophobicContact CB-CG1 3.77Å; L225-I227 HydrophobicContact CD1-CD1 3.88Å; L225-I227 HydrophobicContact CG-CD1 4.48Å; L225-I227 PolarHBondContact O-N 2.71Å; I227-Q230 HydrophobicContact CG2-CB 4.19Å; I227-Q230 HydrophobicContact CG2-CG 4.25Å; I227-V249 HydrophobicContact CB-CG1 4.36Å; I227-V249 HydrophobicContact CD1-CG1 3.76Å; I227-V249 HydrophobicContact CG1-CG1 3.7Å; I227-V249 HydrophobicContact CG2-CG1 3.82Å; I227-L250 WeakPolarHBondContact CA-O 3.28Å; I227-R251 HydrophobicContact CG1-CG 4.4Å
228	L	93.7	Very high	93.3	Very high	47 Å²	47	36.5 Å²	36.5	25%	0.246	18%	0.183	C	C	.	.			trans	-80.5	-25.8	-175.1	-53.4	-179.4	0	0	0	112.7	D226 L250 P252 C320 P331 H332	D226-L228 PolarHBondContact O-N 2.73Å; L228-L250 HydrophobicContact CB-CD2 4.47Å; L228-L250 HydrophobicContact CB-CG 4.45Å; L228-L250 PolarHBondContact N-O 2.97Å; L228-P252 HydrophobicContact CD1-CG 4.05Å; L228-C320 VanDerWaalsContact CD1-SG 3.51Å; L228-P331 HydrophobicContact CD1-CG 4.44Å; L228-P331 HydrophobicContact CD2-CG 4.13Å; L228-H332 VanDerWaalsContact CD2-NE2 3.26Å; L228-H332 WeakPolarHBondContact CD2-NE2 3.38Å
229	K	95	Very high	92.6	Very high	41 Å²	41	40.6 Å²	40.6	18%	0.178	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	141.7	173.3	-161.2	168.1	-175.4	67.1	0	111.6	L250 E312 W313 A316	K229-L250 HydrophobicContact CB-CB 4.13Å; K229-L250 HydrophobicContact CB-CD2 4.1Å; K229-L250 WeakPolarHBondContact O-CB 3.31Å; K229-L250 PolarHBondContact O-N 3.19Å; K229-E312 IonicContact NZ-OE2 3.61Å; K229-E312 PolarHBondContact NZ-OE2 3.42Å; K229-W313 HydrophobicContact CB-CE3 4.36Å; K229-W313 HydrophobicContact CB-CH2 4.2Å; K229-W313 HydrophobicContact CB-CZ3 3.98Å; K229-W313 HydrophobicContact CD-CD2 3.65Å; K229-W313 HydrophobicContact CD-CE3 3.74Å; K229-W313 HydrophobicContact CD-CG 4.1Å; K229-W313 HydrophobicContact CD-CH2 4.45Å; K229-W313 HydrophobicContact CD-CZ2 4.37Å; K229-W313 HydrophobicContact CD-CZ3 4.15Å; K229-W313 HydrophobicContact CG-CD2 4.22Å; K229-W313 HydrophobicContact CG-CE3 4.12Å; K229-W313 HydrophobicContact CG-CH2 3.97Å; K229-W313 HydrophobicContact CG-CZ2 4.06Å; K229-W313 HydrophobicContact CG-CZ3 4Å; K229-A316 HydrophobicContact CB-CB 4.42Å; K229-A316 HydrophobicContact CD-CB 3.97Å
230	Q	96.2	Very high	91.7	Very high	80 Å²	80	51 Å²	51	37%	0.374	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	161.8	171.2	58.1	-176	-6.6	0	0	112.6	I227 W247 F248 V249	I227-Q230 HydrophobicContact CG2-CB 4.19Å; I227-Q230 HydrophobicContact CG2-CG 4.25Å; Q230-W247 HydrophobicContact CB-CZ2 3.76Å; Q230-W247 HydrophobicContact CG-CH2 4.47Å; Q230-W247 HydrophobicContact CG-CZ2 3.73Å; Q230-F248 WeakPolarHBondContact CA-O 3.4Å; Q230-F248 WeakPolarHBondContact CB-O 3.33Å; Q230-V249 HydrophobicContact CB-CG2 4.19Å
231	G	96.3	Very high	91.2	Very high	13 Å²	13	56 Å²	56	13%	0.134	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.2	163.9	-179.6	0	0	0	0	0	114.7	W247 F248	G231-W247 VanDerWaalsContact C-CE3 3.44Å; G231-W247 VanDerWaalsContact CA-CZ3 3.45Å; G231-F248 PolarHBondContact N-O 2.6Å; G231-F248 VanDerWaalsContact N-O 3.12Å; G231-F248 PolarHBondContact O-N 3.17Å
232	Y	96.9	Very high	91	Very high	84 Å²	84	60.1 Å²	60.1	33%	0.329	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	137.3	172.9	-68.2	-75.1	0	0	0	112.4	E245 R246 W247 E261	Y232-E245 HydrophobicContact CD1-CG 3.95Å; Y232-E245 HydrophobicContact CG-CG 4.45Å; Y232-R246 WeakPolarHBondContact CA-O 2.93Å; Y232-W247 HydrophobicContact CD1-CB 4.24Å; Y232-W247 HydrophobicContact CD1-CE3 4.02Å; Y232-W247 AromaticContact CD2-CE3 3.51Å; Y232-W247 HydrophobicContact CD2-CE3 3.51Å; Y232-W247 AromaticContact CD2-CZ3 3.63Å; Y232-W247 HydrophobicContact CD2-CZ3 3.63Å; Y232-W247 HydrophobicContact CE1-CB 3.97Å; Y232-W247 AromaticContact CE1-CE3 3.94Å; Y232-W247 HydrophobicContact CE1-CE3 3.94Å; Y232-W247 AromaticContact CE2-CE3 3.4Å; Y232-W247 HydrophobicContact CE2-CE3 3.4Å; Y232-W247 VanDerWaalsContact CE2-CE3 3.4Å; Y232-W247 AromaticContact CE2-CZ3 3.53Å; Y232-W247 HydrophobicContact CE2-CZ3 3.53Å; Y232-W247 AromaticContact CG-CE3 3.8Å; Y232-W247 HydrophobicContact CG-CE3 3.8Å; Y232-W247 HydrophobicContact CG-CZ3 4.32Å; Y232-W247 AromaticContact CZ-CE3 3.61Å; Y232-E261 WeakPolarHBondContact CE2-OE2 3.26Å; Y232-E261 VanDerWaalsContact CZ-OE2 3.31Å; Y232-E261 PolarHBondContact OH-N 2.9Å; Y232-E261 VanDerWaalsContact OH-N 3.16Å; Y232-E261 PolarHBondContact OH-OE2 3.01Å
233	M	96.8	Very high	91	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.015	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	153.9	166.9	-64.3	-171.3	-76	0	0	111.3	R246 F248 F291 I302 W313	M233-R246 PolarHBondContact N-O 3.32Å; M233-R246 PolarHBondContact O-N 2.88Å; M233-F248 HydrophobicContact CB-CD2 3.75Å; M233-F248 HydrophobicContact CB-CE2 3.76Å; M233-F248 HydrophobicContact CE-CB 3.75Å; M233-F248 HydrophobicContact CE-CD1 3.96Å; M233-F248 HydrophobicContact CE-CD2 3.67Å; M233-F248 HydrophobicContact CE-CE1 4.41Å; M233-F248 HydrophobicContact CE-CE2 4.16Å; M233-F248 HydrophobicContact CE-CG 3.53Å; M233-F248 HydrophobicContact CE-CZ 4.47Å; M233-F248 HydrophobicContact CG-CD2 4.36Å; M233-F291 HydrophobicContact CE-CZ 4.22Å; M233-F291 HydrophobicContact SD-CE1 3.88Å; M233-F291 HydrophobicContact SD-CZ 3.67Å; M233-I302 HydrophobicContact CB-CG2 3.79Å; M233-I302 HydrophobicContact CE-CG2 4.08Å; M233-I302 HydrophobicContact CG-CG2 4.36Å; M233-I302 HydrophobicContact SD-CG2 3.69Å; M233-W313 HydrophobicContact CE-CD2 3.53Å; M233-W313 HydrophobicContact CE-CE3 3.66Å; M233-W313 HydrophobicContact CE-CG 4.08Å; M233-W313 HydrophobicContact CE-CH2 3.95Å; M233-W313 HydrophobicContact CE-CZ2 3.82Å; M233-W313 HydrophobicContact CE-CZ3 3.87Å; M233-W313 HydrophobicContact SD-CB 4.23Å; M233-W313 HydrophobicContact SD-CD2 3.65Å; M233-W313 HydrophobicContact SD-CE3 4.37Å; M233-W313 HydrophobicContact SD-CG 3.57Å; M233-W313 VanDerWaalsContact SD-CG 3.57Å; M233-W313 HydrophobicContact SD-CZ2 4.36Å
234	M	95.6	Very high	91	Very high	41 Å²	41	64.6 Å²	64.6	20%	0.202	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.6	173.2	-67.1	-61.4	-54.1	0	0	109.9	W243 E245 I302 S303	M234-W243 HydrophobicContact CB-CE3 4.08Å; M234-W243 HydrophobicContact CE-CB 3.75Å; M234-W243 WeakPolarHBondContact O-CZ3 3.49Å; M234-E245 HydrophobicContact SD-CB 3.66Å; M234-E245 HydrophobicContact SD-CG 4.31Å; M234-I302 CarbonylContact O-C 3.59Å; M234-I302 WeakPolarHBondContact O-CA 3.19Å; M234-S303 PolarHBondContact N-O 3.12Å; M234-S303 PolarHBondContact O-N 3.35Å
235	K	94.4	Very high	91.1	Very high	17 Å²	17	68.5 Å²	68.5	7%	0.074	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.1	179.1	-170	-177.6	-178.5	-68.7	0	111.7	W243 M244 F248 Y257	K235-W243 VanDerWaalsContact C-CE3 3.48Å; K235-W243 WeakPolarHBondContact O-CA 3.24Å; K235-M244 PolarHBondContact N-O 2.84Å; K235-M244 PolarHBondContact O-N 2.66Å; K235-F248 HydrophobicContact CB-CE2 4.17Å; K235-F248 HydrophobicContact CB-CZ 3.89Å; K235-F248 HydrophobicContact CD-CE1 4.47Å; K235-F248 HydrophobicContact CD-CZ 3.83Å; K235-F248 HydrophobicContact CG-CZ 4.01Å; K235-Y257 HydrophobicContact CD-CD1 4.23Å; K235-Y257 HydrophobicContact CD-CD2 4.17Å; K235-Y257 HydrophobicContact CD-CE1 4.01Å; K235-Y257 HydrophobicContact CD-CE2 3.96Å; K235-Y257 HydrophobicContact CD-CG 4.31Å; K235-Y257 VanDerWaalsContact CE-CE1 3.48Å
236	K	93.6	Very high	91.4	Very high	31 Å²	31	69.6 Å²	69.6	14%	0.135	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	135	171.8	-150.8	171.9	-174.5	170.4	0	111.6	K241 W243 D285 E301	K236-K241 VanDerWaalsContact CG-O 3.22Å; K236-K241 WeakPolarHBondContact CG-O 3.32Å; K236-W243 HydrophobicContact CB-CD2 4.15Å; K236-W243 HydrophobicContact CB-CE3 4.01Å; K236-W243 HydrophobicContact CB-CH2 3.84Å; K236-W243 HydrophobicContact CB-CZ2 4.02Å; K236-W243 HydrophobicContact CB-CZ3 3.85Å; K236-W243 HydrophobicContact CD-CH2 4.18Å; K236-W243 HydrophobicContact CD-CZ2 3.65Å; K236-W243 HydrophobicContact CG-CD2 4.18Å; K236-W243 HydrophobicContact CG-CH2 4.34Å; K236-W243 HydrophobicContact CG-CZ2 3.99Å; K236-D285 IonicContact NZ-OD2 2.62Å; K236-D285 PolarHBondContact NZ-OD2 3.4Å; K236-E301 HydrophobicContact CB-CB 3.94Å; K236-E301 WeakPolarHBondContact CB-O 3.42Å; K236-E301 HydrophobicContact CD-CB 3.98Å; K236-E301 HydrophobicContact CD-CG 4.42Å; K236-E301 WeakPolarHBondContact CD-OE2 3.36Å; K236-E301 WeakPolarHBondContact CE-OE2 3.34Å; K236-E301 PolarHBondContact N-O 3.3Å; K236-E301 IonicContact NZ-OE2 2.73Å; K236-E301 PolarHBondContact NZ-OE2 2.83Å
237	G	87.8	Confident	91.7	Very high	27 Å²	27	70.5 Å²	70.5	28%	0.278	32%	0.323	S	S	.	.			trans	-75.6	124.8	176.5	0	0	0	0	0	111.6	K239 K241 N242	G237-K239 PolarHBondContact O-N 2.88Å; G237-K241 WeakPolarHBondContact O-CA 3.19Å; G237-K241 PolarHBondContact O-N 2.89Å; G237-N242 PolarHBondContact N-O 3.42Å
238	H	77.8	Confident	91.9	Very high	109 Å²	109	69.9 Å²	69.9	51%	0.505	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-45	-171.5	-173.6	91.1	0	0	0	113.3	K241	H238-K241 WeakPolarHBondContact O-CE 3.16Å; H238-K241 PolarHBondContact O-NZ 3.36Å
239	K	78.5	Confident	92.1	Very high	197 Å²	197	67.7 Å²	67.7	86%	0.857	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-63	177	-66.3	-173.1	177.5	-176.1	0	112.9	G237 K241	G237-K239 PolarHBondContact O-N 2.88Å; K239-K241 PolarHBondContact O-N 3.44Å
240	R	78.6	Confident	92.2	Very high	220 Å²	220	65.7 Å²	65.7	83%	0.83	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-4.2	-172.6	-68	-174.4	179.3	172.2	0	115.5	N242	R240-N242 PolarHBondContact O-N 3.33Å; R240-N242 PolarHBondContact O-OD1 3.03Å; R240-N242 VanDerWaalsContact O-OD1 3.06Å
241	K	85.6	Confident	92.1	Very high	121 Å²	121	65 Å²	65	53%	0.526	29%	0.293	S	S	.	.			trans	57.6	-8.3	-178.7	-52.4	-53.4	-174.2	-166.6	0	117.8	K236 G237 H238 K239	K236-K241 VanDerWaalsContact CG-O 3.22Å; K236-K241 WeakPolarHBondContact CG-O 3.32Å; G237-K241 WeakPolarHBondContact O-CA 3.19Å; G237-K241 PolarHBondContact O-N 2.89Å; H238-K241 WeakPolarHBondContact O-CE 3.16Å; H238-K241 PolarHBondContact O-NZ 3.36Å; K239-K241 PolarHBondContact O-N 3.44Å
242	N	89.3	Confident	91.8	Very high	106 Å²	106	65.5 Å²	65.5	57%	0.567	29%	0.294	S	S	*	.			trans	-51.9	147.4	170.3	-65.4	22	0	0	0	112.6	G237 R240	G237-N242 PolarHBondContact N-O 3.42Å; R240-N242 PolarHBondContact O-N 3.33Å; R240-N242 PolarHBondContact O-OD1 3.03Å; R240-N242 VanDerWaalsContact O-OD1 3.06Å
243	W	93.1	Very high	91.5	Very high	41 Å²	41	65.3 Å²	65.3	16%	0.155	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.9	171.9	-70.8	96.6	0	0	0	110.7	M234 K235 K236 K287 L290 E301	M234-W243 HydrophobicContact CB-CE3 4.08Å; M234-W243 HydrophobicContact CE-CB 3.75Å; M234-W243 WeakPolarHBondContact O-CZ3 3.49Å; K235-W243 VanDerWaalsContact C-CE3 3.48Å; K235-W243 WeakPolarHBondContact O-CA 3.24Å; K236-W243 HydrophobicContact CB-CD2 4.15Å; K236-W243 HydrophobicContact CB-CE3 4.01Å; K236-W243 HydrophobicContact CB-CH2 3.84Å; K236-W243 HydrophobicContact CB-CZ2 4.02Å; K236-W243 HydrophobicContact CB-CZ3 3.85Å; K236-W243 HydrophobicContact CD-CH2 4.18Å; K236-W243 HydrophobicContact CD-CZ2 3.65Å; K236-W243 HydrophobicContact CG-CD2 4.18Å; K236-W243 HydrophobicContact CG-CH2 4.34Å; K236-W243 HydrophobicContact CG-CZ2 3.99Å; W243-K287 HydrophobicContact CD2-CG 3.96Å; W243-K287 HydrophobicContact CG-CG 4.1Å; W243-K287 HydrophobicContact CZ2-CB 4.4Å; W243-K287 HydrophobicContact CZ2-CG 4.2Å; W243-L290 HydrophobicContact CH2-CD2 3.23Å; W243-L290 HydrophobicContact CZ2-CD2 3.61Å; W243-L290 HydrophobicContact CZ3-CD2 4.12Å; W243-E301 HydrophobicContact CH2-CB 3.9Å
244	M	94.1	Very high	91.4	Very high	95 Å²	95	66 Å²	66	47%	0.468	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.6	175.7	-61.3	-60.2	-58	0	0	110.1	K235	K235-M244 PolarHBondContact N-O 2.84Å; K235-M244 PolarHBondContact O-N 2.66Å
245	E	95.7	Very high	91.4	Very high	109 Å²	109	64 Å²	64	51%	0.509	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	139.2	168.4	-170.6	155.7	-119	0	0	110.5	Y232 M234	Y232-E245 HydrophobicContact CD1-CG 3.95Å; Y232-E245 HydrophobicContact CG-CG 4.45Å; M234-E245 HydrophobicContact SD-CB 3.66Å; M234-E245 HydrophobicContact SD-CG 4.31Å
246	R	96.8	Very high	91.5	Very high	52 Å²	52	63.5 Å²	63.5	20%	0.196	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	144.9	176.9	-66.6	-65.1	171.1	-116.4	16.2	109.5	Y232 M233 F248 Y257 Y258	Y232-R246 WeakPolarHBondContact CA-O 2.93Å; M233-R246 PolarHBondContact N-O 3.32Å; M233-R246 PolarHBondContact O-N 2.88Å; R246-F248 HydrophobicContact CB-CD2 4.28Å; R246-F248 HydrophobicContact CB-CE2 3.98Å; R246-F248 WeakPolarHBondContact O-CD2 3.1Å; R246-Y257 HydrophobicContact CB-CD2 4.39Å; R246-Y257 HydrophobicContact CG-CD2 4.12Å; R246-Y258 WeakPolarHBondContact CA-O 3.42Å; R246-Y258 WeakPolarHBondContact CB-O 3.21Å; R246-Y258 WeakPolarHBondContact CD-O 3.41Å
247	W	97.3	Very high	91.7	Very high	34 Å²	34	63.5 Å²	63.5	13%	0.129	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128	164.7	-175	-104.7	0	0	0	109	Q230 G231 Y232 Y257 Y258 C260 E261 L263	Q230-W247 HydrophobicContact CB-CZ2 3.76Å; Q230-W247 HydrophobicContact CG-CH2 4.47Å; Q230-W247 HydrophobicContact CG-CZ2 3.73Å; G231-W247 VanDerWaalsContact C-CE3 3.44Å; G231-W247 VanDerWaalsContact CA-CZ3 3.45Å; Y232-W247 HydrophobicContact CD1-CB 4.24Å; Y232-W247 HydrophobicContact CD1-CE3 4.02Å; Y232-W247 AromaticContact CD2-CE3 3.51Å; Y232-W247 HydrophobicContact CD2-CE3 3.51Å; Y232-W247 AromaticContact CD2-CZ3 3.63Å; Y232-W247 HydrophobicContact CD2-CZ3 3.63Å; Y232-W247 HydrophobicContact CE1-CB 3.97Å; Y232-W247 AromaticContact CE1-CE3 3.94Å; Y232-W247 HydrophobicContact CE1-CE3 3.94Å; Y232-W247 AromaticContact CE2-CE3 3.4Å; Y232-W247 HydrophobicContact CE2-CE3 3.4Å; Y232-W247 VanDerWaalsContact CE2-CE3 3.4Å; Y232-W247 AromaticContact CE2-CZ3 3.53Å; Y232-W247 HydrophobicContact CE2-CZ3 3.53Å; Y232-W247 AromaticContact CG-CE3 3.8Å; Y232-W247 HydrophobicContact CG-CE3 3.8Å; Y232-W247 HydrophobicContact CG-CZ3 4.32Å; Y232-W247 AromaticContact CZ-CE3 3.61Å; W247-Y257 CarbonylContact O-C 3.31Å; W247-Y257 VanDerWaalsContact O-CA 3.24Å; W247-Y257 WeakPolarHBondContact O-CA 3.38Å; W247-Y258 PolarHBondContact N-O 2.9Å; W247-Y258 PolarHBondContact O-N 3.36Å; W247-C260 VanDerWaalsContact CB-C 3.48Å; W247-C260 WeakPolarHBondContact CB-O 3.3Å; W247-E261 HydrophobicContact CD2-CB 3.76Å; W247-E261 HydrophobicContact CE3-CB 3.88Å; W247-E261 HydrophobicContact CG-CB 4.26Å; W247-E261 HydrophobicContact CH2-CB 4.1Å; W247-E261 HydrophobicContact CZ2-CB 4.01Å; W247-E261 HydrophobicContact CZ3-CB 4.03Å; W247-L263 VanDerWaalsContact CD1-CD2 3.49Å
248	F	97.8	Very high	92.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.4	177.1	-79.9	-97.3	0	0	0	110.5	Q230 G231 M233 K235 R246 L255 T256 Y257 I270 I302 W313	Q230-F248 WeakPolarHBondContact CA-O 3.4Å; Q230-F248 WeakPolarHBondContact CB-O 3.33Å; G231-F248 PolarHBondContact N-O 2.6Å; G231-F248 VanDerWaalsContact N-O 3.12Å; G231-F248 PolarHBondContact O-N 3.17Å; M233-F248 HydrophobicContact CB-CD2 3.75Å; M233-F248 HydrophobicContact CB-CE2 3.76Å; M233-F248 HydrophobicContact CE-CB 3.75Å; M233-F248 HydrophobicContact CE-CD1 3.96Å; M233-F248 HydrophobicContact CE-CD2 3.67Å; M233-F248 HydrophobicContact CE-CE1 4.41Å; M233-F248 HydrophobicContact CE-CE2 4.16Å; M233-F248 HydrophobicContact CE-CG 3.53Å; M233-F248 HydrophobicContact CE-CZ 4.47Å; M233-F248 HydrophobicContact CG-CD2 4.36Å; K235-F248 HydrophobicContact CB-CE2 4.17Å; K235-F248 HydrophobicContact CB-CZ 3.89Å; K235-F248 HydrophobicContact CD-CE1 4.47Å; K235-F248 HydrophobicContact CD-CZ 3.83Å; K235-F248 HydrophobicContact CG-CZ 4.01Å; R246-F248 HydrophobicContact CB-CD2 4.28Å; R246-F248 HydrophobicContact CB-CE2 3.98Å; R246-F248 WeakPolarHBondContact O-CD2 3.1Å; F248-L255 HydrophobicContact CB-CD1 4.14Å; F248-L255 HydrophobicContact CD1-CD1 3.82Å; F248-L255 HydrophobicContact CD1-CD2 4.08Å; F248-L255 HydrophobicContact CD1-CG 3.79Å; F248-L255 HydrophobicContact CE1-CD2 4.31Å; F248-L255 HydrophobicContact CE1-CG 4.34Å; F248-L255 HydrophobicContact CG-CD1 4.47Å; F248-T256 WeakPolarHBondContact CA-O 3.43Å; F248-Y257 HydrophobicContact CE1-CD1 4.09Å; F248-Y257 HydrophobicContact CE1-CG 4.17Å; F248-Y257 HydrophobicContact CZ-CG 4.49Å; F248-I270 HydrophobicContact CE1-CD1 4.46Å; F248-I302 HydrophobicContact CE1-CD1 3.9Å; F248-I302 HydrophobicContact CZ-CD1 3.93Å; F248-I302 HydrophobicContact CZ-CG1 4.35Å; F248-I302 HydrophobicContact CZ-CG2 4.49Å; F248-W313 HydrophobicContact CB-CH2 3.75Å; F248-W313 HydrophobicContact CB-CZ2 4.29Å; F248-W313 HydrophobicContact CB-CZ3 4.32Å
249	V	97.3	Very high	92.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	113.1	175.6	177.3	0	0	0	0	108.5	I227 Q230 R251 T256 Y258 L263	I227-V249 HydrophobicContact CB-CG1 4.36Å; I227-V249 HydrophobicContact CD1-CG1 3.76Å; I227-V249 HydrophobicContact CG1-CG1 3.7Å; I227-V249 HydrophobicContact CG2-CG1 3.82Å; Q230-V249 HydrophobicContact CB-CG2 4.19Å; V249-R251 HydrophobicContact CG1-CG 4.46Å; V249-T256 PolarHBondContact N-O 3.4Å; V249-T256 PolarHBondContact O-N 2.99Å; V249-T256 PolarHBondContact O-OG1 2.81Å; V249-Y258 HydrophobicContact CB-CE2 4.39Å; V249-Y258 HydrophobicContact CG2-CD2 4.39Å; V249-Y258 HydrophobicContact CG2-CE2 4.22Å; V249-L263 HydrophobicContact CG2-CD2 3.75Å
250	L	96.9	Very high	93.6	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.4	177.5	-179.5	64	0	0	0	110.5	I227 L228 K229 L255 L272 W313 A316 I317	I227-L250 WeakPolarHBondContact CA-O 3.28Å; L228-L250 HydrophobicContact CB-CD2 4.47Å; L228-L250 HydrophobicContact CB-CG 4.45Å; L228-L250 PolarHBondContact N-O 2.97Å; K229-L250 HydrophobicContact CB-CB 4.13Å; K229-L250 HydrophobicContact CB-CD2 4.1Å; K229-L250 WeakPolarHBondContact O-CB 3.31Å; K229-L250 PolarHBondContact O-N 3.19Å; L250-L255 HydrophobicContact CB-CD1 3.91Å; L250-L255 HydrophobicContact CD1-CB 4.16Å; L250-L255 HydrophobicContact CD1-CD1 4.18Å; L250-L272 HydrophobicContact CD1-CD1 3.66Å; L250-W313 HydrophobicContact CB-CZ3 4.09Å; L250-A316 HydrophobicContact CD2-CB 3.61Å; L250-I317 HydrophobicContact CD1-CG1 4.13Å; L250-I317 HydrophobicContact CD2-CG1 4.09Å
251	R	93.8	Very high	94.3	Very high	65 Å²	65	48.2 Å²	48.2	25%	0.245	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	165.2	171.4	-57.8	-177.6	-167.6	-121.8	7.1	108.3	L225 D226 I227 V249 T253 S254	L225-R251 PolarHBondContact O-NH1 3.22Å; D226-R251 WeakPolarHBondContact O-CA 3.36Å; I227-R251 HydrophobicContact CG1-CG 4.4Å; V249-R251 HydrophobicContact CG1-CG 4.46Å; R251-T253 PolarHBondContact O-N 3.28Å; R251-T253 VanDerWaalsContact O-N 3.08Å; R251-S254 PolarHBondContact N-O 3.05Å; R251-S254 PolarHBondContact O-N 2.75Å; R251-S254 VanDerWaalsContact O-O 3.04Å
252	P	91.3	Very high	94.4	Very high	23 Å²	23	46.4 Å²	46.4	15%	0.149	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-39.4	-174.2	-28.6	32.9	0	0	0	114.9	D226 L228	D226-P252 HydrophobicContact CB-CG 4.2Å; D226-P252 WeakPolarHBondContact O-CD 3.44Å; L228-P252 HydrophobicContact CD1-CG 4.05Å
253	T	90.7	Very high	94.3	Very high	81 Å²	81	44.1 Å²	44.1	50%	0.497	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-3.9	-175.9	52.5	0	0	0	0	114.6	R251 L272 L324	R251-T253 PolarHBondContact O-N 3.28Å; R251-T253 VanDerWaalsContact O-N 3.08Å; T253-L272 PolarHBondContact O-N 3.39Å; T253-L324 HydrophobicContact CG2-CD2 3.94Å
254	S	93.6	Very high	94	Very high	17 Å²	17	47 Å²	47	12%	0.119	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	147.7	-172	53.9	0	0	0	0	114.7	R251 I270	R251-S254 PolarHBondContact N-O 3.05Å; R251-S254 PolarHBondContact O-N 2.75Å; R251-S254 VanDerWaalsContact O-O 3.04Å; S254-I270 CarbonylContact C-O 3.55Å; S254-I270 WeakPolarHBondContact CA-O 3.48Å
255	L	96.4	Very high	93.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	84.7	169.6	178	63.4	0	0	0	109.5	F248 L250 I270 I293 W313 I317	F248-L255 HydrophobicContact CB-CD1 4.14Å; F248-L255 HydrophobicContact CD1-CD1 3.82Å; F248-L255 HydrophobicContact CD1-CD2 4.08Å; F248-L255 HydrophobicContact CD1-CG 3.79Å; F248-L255 HydrophobicContact CE1-CD2 4.31Å; F248-L255 HydrophobicContact CE1-CG 4.34Å; F248-L255 HydrophobicContact CG-CD1 4.47Å; L250-L255 HydrophobicContact CB-CD1 3.91Å; L250-L255 HydrophobicContact CD1-CB 4.16Å; L250-L255 HydrophobicContact CD1-CD1 4.18Å; L255-I270 HydrophobicContact CB-CB 4.17Å; L255-I270 HydrophobicContact CD2-CD1 4.35Å; L255-I270 PolarHBondContact N-O 3.46Å; L255-I270 WeakPolarHBondContact O-CB 3.17Å; L255-I270 PolarHBondContact O-N 3.14Å; L255-I293 HydrophobicContact CD2-CD1 3.37Å; L255-W313 HydrophobicContact CD1-CZ3 3.93Å; L255-I317 HydrophobicContact CD2-CD1 3.85Å; L255-I317 HydrophobicContact CD2-CG1 4.43Å
256	T	96.2	Very high	93.9	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	151.5	177	54	0	0	0	0	112	F248 V249 D269	F248-T256 WeakPolarHBondContact CA-O 3.43Å; V249-T256 PolarHBondContact N-O 3.4Å; V249-T256 PolarHBondContact O-N 2.99Å; V249-T256 PolarHBondContact O-OG1 2.81Å; T256-D269 WeakPolarHBondContact CG2-OD1 3.43Å; T256-D269 WeakPolarHBondContact CG2-OD2 3.35Å
257	Y	96.3	Very high	93.8	Very high	32 Å²	32	49.3 Å²	49.3	13%	0.125	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.1	175	64.7	-93	0	0	0	114.5	K235 R246 W247 F248 K267 G268 I270	K235-Y257 HydrophobicContact CD-CD1 4.23Å; K235-Y257 HydrophobicContact CD-CD2 4.17Å; K235-Y257 HydrophobicContact CD-CE1 4.01Å; K235-Y257 HydrophobicContact CD-CE2 3.96Å; K235-Y257 HydrophobicContact CD-CG 4.31Å; K235-Y257 VanDerWaalsContact CE-CE1 3.48Å; R246-Y257 HydrophobicContact CB-CD2 4.39Å; R246-Y257 HydrophobicContact CG-CD2 4.12Å; W247-Y257 CarbonylContact O-C 3.31Å; W247-Y257 VanDerWaalsContact O-CA 3.24Å; W247-Y257 WeakPolarHBondContact O-CA 3.38Å; F248-Y257 HydrophobicContact CE1-CD1 4.09Å; F248-Y257 HydrophobicContact CE1-CG 4.17Å; F248-Y257 HydrophobicContact CZ-CG 4.49Å; Y257-K267 HydrophobicContact CD2-CB 4.01Å; Y257-K267 HydrophobicContact CE2-CB 3.84Å; Y257-K267 VanDerWaalsContact CE2-O 3.24Å; Y257-K267 WeakPolarHBondContact CE2-O 3.31Å; Y257-K267 PolarHBondContact O-N 2.93Å; Y257-K267 PolarHBondContact OH-O 2.93Å; Y257-G268 PolarHBondContact N-O 2.91Å; Y257-G268 PolarHBondContact O-N 2.76Å; Y257-I270 HydrophobicContact CD1-CD1 4.43Å; Y257-I270 HydrophobicContact CD1-CG1 4.4Å; Y257-I270 HydrophobicContact CE1-CD1 4.41Å; Y257-I270 HydrophobicContact CE1-CG1 4.18Å
258	Y	96.8	Very high	93.6	Very high	23 Å²	23	48.7 Å²	48.7	9%	0.09	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	171.2	-167	-59.5	-98.4	0	0	0	110.6	R246 W247 V249 L263 E265 K266	R246-Y258 WeakPolarHBondContact CA-O 3.42Å; R246-Y258 WeakPolarHBondContact CB-O 3.21Å; R246-Y258 WeakPolarHBondContact CD-O 3.41Å; W247-Y258 PolarHBondContact N-O 2.9Å; W247-Y258 PolarHBondContact O-N 3.36Å; V249-Y258 HydrophobicContact CB-CE2 4.39Å; V249-Y258 HydrophobicContact CG2-CD2 4.39Å; V249-Y258 HydrophobicContact CG2-CE2 4.22Å; Y258-L263 HydrophobicContact CD1-CB 4.09Å; Y258-L263 HydrophobicContact CD1-CD2 4.39Å; Y258-L263 VanDerWaalsContact CD1-O 3.26Å; Y258-L263 WeakPolarHBondContact CD1-O 3.36Å; Y258-L263 HydrophobicContact CD2-CD2 3.81Å; Y258-L263 HydrophobicContact CE1-CB 3.96Å; Y258-L263 WeakPolarHBondContact CE1-O 3.17Å; Y258-L263 HydrophobicContact CE2-CD2 3.98Å; Y258-L263 HydrophobicContact CG-CD2 4.05Å; Y258-E265 WeakPolarHBondContact CA-O 3.42Å; Y258-K266 VanDerWaalsContact CD1-CA 3.49Å; Y258-K266 HydrophobicContact CD1-CB 3.93Å; Y258-K266 HydrophobicContact CE1-CB 3.67Å; Y258-K266 HydrophobicContact CE1-CG 4.1Å
259	V	94.5	Very high	93.4	Very high	49 Å²	49	51.5 Å²	51.5	30%	0.297	27%	0.269	S	S	.	.	S	Bend	trans	-65.3	-51.5	171.8	179.4	0	0	0	0	110.4	E265 K267	V259-E265 HydrophobicContact CB-CB 4.37Å; V259-E265 HydrophobicContact CG2-CB 3.72Å; V259-E265 WeakPolarHBondContact CG2-OE2 3.4Å; V259-E265 PolarHBondContact N-O 3.32Å; V259-K267 HydrophobicContact CG2-CD 4.16Å; V259-K267 HydrophobicContact CG2-CG 3.77Å
260	C	94	Very high	93.3	Very high	40 Å²	40	51.6 Å²	51.6	27%	0.27	27%	0.269	S	S	.	.	S	Bend	trans	-140.8	175.6	-173.6	32.8	0	0	0	0	111.1	W247 D262 L263	W247-C260 VanDerWaalsContact CB-C 3.48Å; W247-C260 WeakPolarHBondContact CB-O 3.3Å; C260-D262 PolarHBondContact O-N 3.45Å; C260-D262 PolarHBondContact SG-OD1 3.36Å; C260-L263 PolarHBondContact O-N 3.31Å
261	E	91.9	Very high	93.1	Very high	120 Å²	120	56.2 Å²	56.2	56%	0.561	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.1	-177.8	65.5	-154.2	-130.8	0	0	115.7	Y232 W247 L263	Y232-E261 WeakPolarHBondContact CE2-OE2 3.26Å; Y232-E261 VanDerWaalsContact CZ-OE2 3.31Å; Y232-E261 PolarHBondContact OH-N 2.9Å; Y232-E261 VanDerWaalsContact OH-N 3.16Å; Y232-E261 PolarHBondContact OH-OE2 3.01Å; W247-E261 HydrophobicContact CD2-CB 3.76Å; W247-E261 HydrophobicContact CE3-CB 3.88Å; W247-E261 HydrophobicContact CG-CB 4.26Å; W247-E261 HydrophobicContact CH2-CB 4.1Å; W247-E261 HydrophobicContact CZ2-CB 4.01Å; W247-E261 HydrophobicContact CZ3-CB 4.03Å; E261-L263 PolarHBondContact O-N 2.79Å
262	D	87.9	Confident	93.1	Very high	83 Å²	83	53.4 Å²	53.4	44%	0.444	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.5	177.2	72.5	-21	0	0	0	114.2	C260 T264	C260-D262 PolarHBondContact O-N 3.45Å; C260-D262 PolarHBondContact SG-OD1 3.36Å; D262-T264 HydrophobicContact CB-CG2 4.18Å; D262-T264 VanDerWaalsContact CG-OG1 3.23Å; D262-T264 PolarHBondContact O-N 2.72Å; D262-T264 VanDerWaalsContact O-N 3.11Å; D262-T264 PolarHBondContact OD1-N 3.33Å; D262-T264 PolarHBondContact OD1-OG1 2.75Å; D262-T264 WeakPolarHBondContact OD2-CB 3.27Å; D262-T264 WeakPolarHBondContact OD2-CG2 3.32Å; D262-T264 PolarHBondContact OD2-OG1 2.75Å
263	L	87.9	Confident	93	Very high	58 Å²	58	54.4 Å²	54.4	30%	0.304	29%	0.291	S	S	.	.			trans	59.5	12.9	-178.8	-47.5	-175	0	0	0	115.3	W247 V249 Y258 C260 E261	W247-L263 VanDerWaalsContact CD1-CD2 3.49Å; V249-L263 HydrophobicContact CG2-CD2 3.75Å; Y258-L263 HydrophobicContact CD1-CB 4.09Å; Y258-L263 HydrophobicContact CD1-CD2 4.39Å; Y258-L263 VanDerWaalsContact CD1-O 3.26Å; Y258-L263 WeakPolarHBondContact CD1-O 3.36Å; Y258-L263 HydrophobicContact CD2-CD2 3.81Å; Y258-L263 HydrophobicContact CE1-CB 3.96Å; Y258-L263 WeakPolarHBondContact CE1-O 3.17Å; Y258-L263 HydrophobicContact CE2-CD2 3.98Å; Y258-L263 HydrophobicContact CG-CD2 4.05Å; C260-L263 PolarHBondContact O-N 3.31Å; E261-L263 PolarHBondContact O-N 2.79Å
264	T	86.9	Confident	93	Very high	102 Å²	102	56.1 Å²	56.1	63%	0.626	29%	0.293	S	S	*	.			trans	-70.6	-51.2	-174.9	59.4	0	0	0	0	112	D262	D262-T264 HydrophobicContact CB-CG2 4.18Å; D262-T264 VanDerWaalsContact CG-OG1 3.23Å; D262-T264 PolarHBondContact O-N 2.72Å; D262-T264 VanDerWaalsContact O-N 3.11Å; D262-T264 PolarHBondContact OD1-N 3.33Å; D262-T264 PolarHBondContact OD1-OG1 2.75Å; D262-T264 WeakPolarHBondContact OD2-CB 3.27Å; D262-T264 WeakPolarHBondContact OD2-CG2 3.32Å; D262-T264 PolarHBondContact OD2-OG1 2.75Å
265	E	92.5	Very high	93	Very high	100 Å²	100	58.5 Å²	58.5	47%	0.467	31%	0.31	S	S	.	.	S	Bend	trans	-100.2	85.7	-177.2	-69.4	-160.2	170.5	0	0	112.6	Y258 V259 K267	Y258-E265 WeakPolarHBondContact CA-O 3.42Å; V259-E265 HydrophobicContact CB-CB 4.37Å; V259-E265 HydrophobicContact CG2-CB 3.72Å; V259-E265 WeakPolarHBondContact CG2-OE2 3.4Å; V259-E265 PolarHBondContact N-O 3.32Å; E265-K267 PolarHBondContact O-N 2.93Å; E265-K267 WeakPolarHBondContact OE2-CE 3.5Å; E265-K267 IonicContact OE2-NZ 2.59Å; E265-K267 PolarHBondContact OE2-NZ 3.47Å
266	K	94.8	Very high	92.9	Very high	107 Å²	107	58.5 Å²	58.5	47%	0.465	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	120.8	168.6	-171.2	171.8	-179.6	173.3	0	109.9	Y258 G268 D269	Y258-K266 VanDerWaalsContact CD1-CA 3.49Å; Y258-K266 HydrophobicContact CD1-CB 3.93Å; Y258-K266 HydrophobicContact CE1-CB 3.67Å; Y258-K266 HydrophobicContact CE1-CG 4.1Å; K266-G268 WeakPolarHBondContact CE-O 3.38Å; K266-D269 WeakPolarHBondContact CE-OD2 3.49Å; K266-D269 IonicContact NZ-OD2 3.38Å; K266-D269 PolarHBondContact NZ-OD2 3.16Å
267	K	94.4	Very high	92.8	Very high	97 Å²	97	60 Å²	60	42%	0.422	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-2.2	178.8	-63.2	-52.7	-177.8	-166.7	0	113.8	Y257 V259 E265	Y257-K267 HydrophobicContact CD2-CB 4.01Å; Y257-K267 HydrophobicContact CE2-CB 3.84Å; Y257-K267 VanDerWaalsContact CE2-O 3.24Å; Y257-K267 WeakPolarHBondContact CE2-O 3.31Å; Y257-K267 PolarHBondContact O-N 2.93Å; Y257-K267 PolarHBondContact OH-O 2.93Å; V259-K267 HydrophobicContact CG2-CD 4.16Å; V259-K267 HydrophobicContact CG2-CG 3.77Å; E265-K267 PolarHBondContact O-N 2.93Å; E265-K267 WeakPolarHBondContact OE2-CE 3.5Å; E265-K267 IonicContact OE2-NZ 2.59Å; E265-K267 PolarHBondContact OE2-NZ 3.47Å
268	G	92.9	Very high	92.9	Very high	20 Å²	20	58.9 Å²	58.9	21%	0.206	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.3	-174.2	165.8	0	0	0	0	0	113.1	Y257 K266	Y257-G268 PolarHBondContact N-O 2.91Å; Y257-G268 PolarHBondContact O-N 2.76Å; K266-G268 WeakPolarHBondContact CE-O 3.38Å
269	D	93.9	Very high	92.8	Very high	60 Å²	60	61.6 Å²	61.6	32%	0.321	33%	0.33	S	S	.	.			trans	-139.4	152.7	-178.9	-143.3	-35	0	0	0	109.6	T256 K266	T256-D269 WeakPolarHBondContact CG2-OD1 3.43Å; T256-D269 WeakPolarHBondContact CG2-OD2 3.35Å; K266-D269 WeakPolarHBondContact CE-OD2 3.49Å; K266-D269 IonicContact NZ-OD2 3.38Å; K266-D269 PolarHBondContact NZ-OD2 3.16Å
270	I	94.5	Very high	92.9	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	34%	0.34	C	S	.	.			trans	-133.5	91.4	173.3	-56.1	175.8	0	0	0	104.9	F248 S254 L255 Y257 L272 I293 F300	F248-I270 HydrophobicContact CE1-CD1 4.46Å; S254-I270 CarbonylContact C-O 3.55Å; S254-I270 WeakPolarHBondContact CA-O 3.48Å; L255-I270 HydrophobicContact CB-CB 4.17Å; L255-I270 HydrophobicContact CD2-CD1 4.35Å; L255-I270 PolarHBondContact N-O 3.46Å; L255-I270 WeakPolarHBondContact O-CB 3.17Å; L255-I270 PolarHBondContact O-N 3.14Å; Y257-I270 HydrophobicContact CD1-CD1 4.43Å; Y257-I270 HydrophobicContact CD1-CG1 4.4Å; Y257-I270 HydrophobicContact CE1-CD1 4.41Å; Y257-I270 HydrophobicContact CE1-CG1 4.18Å; I270-L272 HydrophobicContact CG2-CD2 4.34Å; I270-L272 PolarHBondContact O-N 2.9Å; I270-I293 HydrophobicContact CD1-CD1 4.41Å; I270-I293 HydrophobicContact CG2-CG2 4.39Å; I270-F300 HydrophobicContact CB-CE2 4.4Å; I270-F300 HydrophobicContact CD1-CB 4.09Å; I270-F300 HydrophobicContact CD1-CD1 3.87Å; I270-F300 HydrophobicContact CD1-CD2 3.93Å; I270-F300 HydrophobicContact CD1-CE1 4.24Å; I270-F300 HydrophobicContact CD1-CE2 4.31Å; I270-F300 HydrophobicContact CD1-CG 3.69Å; I270-F300 HydrophobicContact CD1-CZ 4.44Å; I270-F300 HydrophobicContact CG1-CD1 4.17Å; I270-F300 HydrophobicContact CG1-CD2 4.1Å; I270-F300 HydrophobicContact CG1-CE1 4.01Å; I270-F300 HydrophobicContact CG1-CE2 3.96Å; I270-F300 HydrophobicContact CG1-CG 4.2Å; I270-F300 HydrophobicContact CG1-CZ 3.9Å; I270-F300 HydrophobicContact CG2-CD2 3.92Å; I270-F300 HydrophobicContact CG2-CE2 3.81Å
271	V	93.5	Very high	92.9	Very high	96 Å²	96	62.6 Å²	62.6	58%	0.582	34%	0.337	S	S	*	.	B	Isolated β-bridge	trans	-59.5	130.6	173.1	-177.8	0	0	0	0	108
272	L	93.3	Very high	92.9	Very high	6 Å²	6	64.3 Å²	64.3	3%	0.031	35%	0.349	C	S	.	.			trans	-98.1	129.4	173.9	-59	-179.7	0	0	0	107.6	L250 T253 I270 I317 C320 L324	L250-L272 HydrophobicContact CD1-CD1 3.66Å; T253-L272 PolarHBondContact O-N 3.39Å; I270-L272 HydrophobicContact CG2-CD2 4.34Å; I270-L272 PolarHBondContact O-N 2.9Å; L272-I317 HydrophobicContact CD2-CG2 4.41Å; L272-C320 HydrophobicContact CD1-CB 3.96Å; L272-L324 HydrophobicContact CB-CD1 3.89Å; L272-L324 VanDerWaalsContact O-CD1 3.29Å; L272-L324 WeakPolarHBondContact O-CD1 3.48Å
273	D	90.5	Very high	93	Very high	44 Å²	44	64.6 Å²	64.6	24%	0.235	35%	0.35	C	S	.	.			trans	-132.2	177	178.9	67.9	54.9	0	0	0	110.1	S275 C276	D273-S275 VanDerWaalsContact C-N 3.27Å; D273-S275 PolarHBondContact O-N 2.91Å; D273-S275 VanDerWaalsContact OD1-CA 3.27Å; D273-S275 WeakPolarHBondContact OD1-CA 3.37Å; D273-S275 VanDerWaalsContact OD1-CB 3.25Å; D273-S275 WeakPolarHBondContact OD1-CB 3.43Å; D273-S275 PolarHBondContact OD1-N 3.26Å; D273-S275 PolarHBondContact OD1-OG 3.05Å; D273-C276 WeakPolarHBondContact O-CB 3.45Å; D273-C276 PolarHBondContact O-N 3.45Å; D273-C276 PolarHBondContact OD1-N 3.04Å
274	Q	91.2	Very high	93	Very high	118 Å²	118	65.7 Å²	65.7	55%	0.551	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.9	-177.7	-62.1	-179.2	-16.2	0	0	113.5	L324 R325	Q274-L324 HydrophobicContact CG-CB 4.41Å; Q274-L324 WeakPolarHBondContact CG-O 3.42Å; Q274-L324 PolarHBondContact NE2-O 3.35Å; Q274-R325 HydrophobicContact CB-CG 3.98Å; Q274-R325 HydrophobicContact CG-CG 4.26Å; Q274-R325 PolarHBondContact O-NE 3.05Å; Q274-R325 PolarHBondContact O-NH2 3.41Å
275	S	91.8	Very high	92.7	Very high	66 Å²	66	65.5 Å²	65.5	46%	0.462	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-22.9	179.1	81.8	0	0	0	0	112.9	D273 L296	D273-S275 VanDerWaalsContact C-N 3.27Å; D273-S275 PolarHBondContact O-N 2.91Å; D273-S275 VanDerWaalsContact OD1-CA 3.27Å; D273-S275 WeakPolarHBondContact OD1-CA 3.37Å; D273-S275 VanDerWaalsContact OD1-CB 3.25Å; D273-S275 WeakPolarHBondContact OD1-CB 3.43Å; D273-S275 PolarHBondContact OD1-N 3.26Å; D273-S275 PolarHBondContact OD1-OG 3.05Å; S275-L296 WeakPolarHBondContact OG-CD2 3.37Å; S275-L296 WeakPolarHBondContact OG-CG 3.44Å
276	C	95	Very high	92.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	37%	0.366	C	S	.	.			trans	-54.4	147.8	179.4	-74.9	0	0	0	0	112.6	D273 K294 I321 R325	D273-C276 WeakPolarHBondContact O-CB 3.45Å; D273-C276 PolarHBondContact O-N 3.45Å; D273-C276 PolarHBondContact OD1-N 3.04Å; C276-K294 VanDerWaalsContact CA-O 3.22Å; C276-K294 WeakPolarHBondContact CA-O 3.45Å; C276-I321 HydrophobicContact CB-CD1 3.79Å; C276-I321 HydrophobicContact CB-CG1 4.08Å; C276-I321 WeakPolarHBondContact O-CG2 3.38Å; C276-R325 PolarHBondContact O-NH2 3.49Å
277	C	95	Very high	92	Very high	38 Å²	38	62.8 Å²	62.8	26%	0.257	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	158.3	165.8	77.1	0	0	0	0	110.9	E279 I293 K294	C277-E279 PolarHBondContact SG-OE1 3.44Å; C277-I293 CarbonylContact O-C 3.46Å; C277-I293 WeakPolarHBondContact O-CA 3.32Å; C277-K294 PolarHBondContact N-O 3.08Å; C277-K294 PolarHBondContact O-N 3.49Å
278	V	97	Very high	92	Very high	7 Å²	7	65.3 Å²	65.3	4%	0.042	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.6	170.6	62	0	0	0	0	109.9	F291 I292 I293 I314 I317 Q318	V278-F291 HydrophobicContact CG2-CD2 3.68Å; V278-F291 HydrophobicContact CG2-CE2 4.22Å; V278-I292 VanDerWaalsContact CA-O 3.3Å; V278-I292 WeakPolarHBondContact CA-O 3.42Å; V278-I293 HydrophobicContact CB-CG1 4.31Å; V278-I293 HydrophobicContact CG2-CG1 3.89Å; V278-I314 HydrophobicContact CG1-CG2 4.37Å; V278-I314 HydrophobicContact CG2-CG1 4.34Å; V278-I317 HydrophobicContact CB-CG2 3.99Å; V278-I317 HydrophobicContact CG1-CB 4.04Å; V278-I317 HydrophobicContact CG1-CG2 3.72Å; V278-I317 HydrophobicContact CG2-CG2 4.45Å; V278-Q318 HydrophobicContact CG1-CB 4.44Å; V278-Q318 HydrophobicContact CG1-CG 3.35Å; V278-Q318 PolarHBondContact O-NE2 3.15Å
279	E	96	Very high	92.1	Very high	80 Å²	80	65.3 Å²	65.3	37%	0.374	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.1	-169.4	-72.9	166.7	-151	0	0	111.1	C277 L281 F291 I292 K294	C277-E279 PolarHBondContact SG-OE1 3.44Å; E279-L281 PolarHBondContact O-N 2.7Å; E279-F291 CarbonylContact O-C 3.56Å; E279-F291 VanDerWaalsContact O-CA 3.27Å; E279-F291 WeakPolarHBondContact O-CA 3.5Å; E279-F291 WeakPolarHBondContact O-CB 3.48Å; E279-I292 HydrophobicContact CB-CG2 3.96Å; E279-I292 PolarHBondContact N-O 3.1Å; E279-I292 PolarHBondContact O-N 3.25Å; E279-K294 WeakPolarHBondContact OE1-CE 3.49Å; E279-K294 IonicContact OE1-NZ 2.66Å; E279-K294 PolarHBondContact OE1-NZ 2.85Å; E279-K294 VanDerWaalsContact OE2-CE 3.25Å; E279-K294 WeakPolarHBondContact OE2-CE 3.4Å; E279-K294 IonicContact OE2-NZ 2.67Å; E279-K294 PolarHBondContact OE2-NZ 2.91Å
280	S	95.8	Very high	92.2	Very high	72 Å²	72	62.5 Å²	62.5	50%	0.503	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	120.5	170.2	164.5	0	0	0	0	110.1	K310	S280-K310 VanDerWaalsContact OG-CE 3.22Å; S280-K310 WeakPolarHBondContact OG-CE 3.26Å; S280-K310 PolarHBondContact OG-NZ 3.38Å
281	L	93.9	Very high	92.3	Very high	39 Å²	39	62.4 Å²	62.4	20%	0.204	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-89.4	159.9	169.3	-67.9	-174.8	0	0	0	111.7	E279 L290 I292 E301 K310	E279-L281 PolarHBondContact O-N 2.7Å; L281-L290 HydrophobicContact CB-CB 3.85Å; L281-L290 PolarHBondContact N-O 2.69Å; L281-I292 HydrophobicContact CD1-CB 3.89Å; L281-I292 HydrophobicContact CD1-CG2 4.21Å; L281-I292 HydrophobicContact CD2-CB 4.44Å; L281-I292 HydrophobicContact CD2-CG2 3.84Å; L281-I292 HydrophobicContact CG-CB 4.04Å; L281-I292 HydrophobicContact CG-CG2 3.89Å; L281-E301 HydrophobicContact CD1-CG 4.28Å; L281-K310 PolarHBondContact O-NZ 3.39Å
282	L	91.3	Very high	92.4	Very high	155 Å²	155	58.6 Å²	58.6	81%	0.812	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-73.9	155.9	162.6	-61.8	177.2	0	0	0	110.5
283	D	90.8	Very high	92.6	Very high	89 Å²	89	58.3 Å²	58.3	48%	0.476	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-67.3	129.4	177.9	-68.7	-6.2	0	0	0	110.5	K287 K288 C289	D283-K287 WeakPolarHBondContact CA-O 3.42Å; D283-K288 HydrophobicContact CB-CG 4.49Å; D283-K288 VanDerWaalsContact CG-CA 3.44Å; D283-K288 VanDerWaalsContact OD1-CA 3.31Å; D283-K288 WeakPolarHBondContact OD1-CA 3.37Å; D283-K288 WeakPolarHBondContact OD2-CB 3.36Å; D283-K288 WeakPolarHBondContact OD2-CG 3.4Å; D283-C289 PolarHBondContact OD1-N 3.32Å
284	K	88.3	Confident	92.8	Very high	81 Å²	81	60.1 Å²	60.1	35%	0.352	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-154.5	167.3	-176.6	62.6	169.2	-175.3	-177.1	0	111.1	G286 K287 L290 E301	K284-G286 PolarHBondContact O-N 2.88Å; K284-G286 VanDerWaalsContact O-N 3.1Å; K284-K287 PolarHBondContact N-O 3.02Å; K284-K287 PolarHBondContact O-N 2.69Å; K284-K287 VanDerWaalsContact O-O 3.13Å; K284-L290 HydrophobicContact CB-CD1 4.36Å; K284-L290 HydrophobicContact CG-CD1 3.44Å; K284-L290 VanDerWaalsContact CG-CD1 3.44Å; K284-E301 WeakPolarHBondContact CE-OE2 3.48Å; K284-E301 VanDerWaalsContact NZ-CD 3.33Å; K284-E301 IonicContact NZ-OE1 3.53Å; K284-E301 PolarHBondContact NZ-OE1 3.31Å; K284-E301 IonicContact NZ-OE2 3.54Å; K284-E301 PolarHBondContact NZ-OE2 3.19Å
285	D	81.1	Confident	92.9	Very high	99 Å²	99	55.6 Å²	55.6	53%	0.529	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	29	179.5	-46.7	-26.1	0	0	0	114	K236 K287	K236-D285 IonicContact NZ-OD2 2.62Å; K236-D285 PolarHBondContact NZ-OD2 3.4Å; D285-K287 PolarHBondContact O-N 3.02Å
286	G	83.2	Confident	92.7	Very high	83 Å²	83	59 Å²	59	86%	0.856	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	6	-172.7	0	0	0	0	0	115.1	K284	K284-G286 PolarHBondContact O-N 2.88Å; K284-G286 VanDerWaalsContact O-N 3.1Å
287	K	89.3	Confident	92.2	Very high	67 Å²	67	65.4 Å²	65.4	29%	0.291	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-102.1	137.1	176.4	-65.5	-56.5	-173.9	-178.4	0	111.5	W243 D283 K284 D285 L290	W243-K287 HydrophobicContact CD2-CG 3.96Å; W243-K287 HydrophobicContact CG-CG 4.1Å; W243-K287 HydrophobicContact CZ2-CB 4.4Å; W243-K287 HydrophobicContact CZ2-CG 4.2Å; D283-K287 WeakPolarHBondContact CA-O 3.42Å; K284-K287 PolarHBondContact N-O 3.02Å; K284-K287 PolarHBondContact O-N 2.69Å; K284-K287 VanDerWaalsContact O-O 3.13Å; D285-K287 PolarHBondContact O-N 3.02Å; K287-L290 HydrophobicContact CB-CD1 4.23Å; K287-L290 HydrophobicContact CB-CD2 4.06Å; K287-L290 HydrophobicContact CB-CG 4.22Å; K287-L290 WeakPolarHBondContact O-CD1 3.43Å
288	K	93	Very high	91.9	Very high	149 Å²	149	68.5 Å²	68.5	65%	0.648	37%	0.367	S	S	*	.			trans	-104.7	167.2	177.3	-58.9	-166.3	179.2	-179.3	0	111.5	D283 L290 S303	D283-K288 HydrophobicContact CB-CG 4.49Å; D283-K288 VanDerWaalsContact CG-CA 3.44Å; D283-K288 VanDerWaalsContact OD1-CA 3.31Å; D283-K288 WeakPolarHBondContact OD1-CA 3.37Å; D283-K288 WeakPolarHBondContact OD2-CB 3.36Å; D283-K288 WeakPolarHBondContact OD2-CG 3.4Å; K288-L290 PolarHBondContact O-N 2.93Å; K288-S303 PolarHBondContact O-OG 2.89Å
289	C	95.3	Very high	91.7	Very high	21 Å²	21	71 Å²	71	14%	0.142	39%	0.385	C	S	.	.	S	Bend	trans	55.7	42.1	174.8	-59.4	0	0	0	0	112	D283 A304 K307 K310	D283-C289 PolarHBondContact OD1-N 3.32Å; C289-A304 PolarHBondContact O-N 2.75Å; C289-K307 PolarHBondContact SG-N 2.92Å; C289-K307 VanDerWaalsContact SG-N 3.41Å; C289-K310 HydrophobicContact CB-CB 4.19Å; C289-K310 HydrophobicContact CB-CD 4.21Å
290	L	96	Very high	91.7	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	144.6	-178.1	-74.4	168.8	0	0	0	113.2	W243 L281 K284 K287 K288 I302 K310	W243-L290 HydrophobicContact CH2-CD2 3.23Å; W243-L290 HydrophobicContact CZ2-CD2 3.61Å; W243-L290 HydrophobicContact CZ3-CD2 4.12Å; L281-L290 HydrophobicContact CB-CB 3.85Å; L281-L290 PolarHBondContact N-O 2.69Å; K284-L290 HydrophobicContact CB-CD1 4.36Å; K284-L290 HydrophobicContact CG-CD1 3.44Å; K284-L290 VanDerWaalsContact CG-CD1 3.44Å; K287-L290 HydrophobicContact CB-CD1 4.23Å; K287-L290 HydrophobicContact CB-CD2 4.06Å; K287-L290 HydrophobicContact CB-CG 4.22Å; K287-L290 WeakPolarHBondContact O-CD1 3.43Å; K288-L290 PolarHBondContact O-N 2.93Å; L290-I302 CarbonylContact C-O 3.54Å; L290-I302 WeakPolarHBondContact CA-O 3.24Å; L290-K310 WeakPolarHBondContact O-CE 3.35Å; L290-K310 PolarHBondContact O-NZ 3.06Å
291	F	97.1	Very high	91.6	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	165.3	166.4	66.5	-85.7	0	0	0	110.2	M233 V278 E279 I293 I302 A304 K310 W313 I314 I317	M233-F291 HydrophobicContact CE-CZ 4.22Å; M233-F291 HydrophobicContact SD-CE1 3.88Å; M233-F291 HydrophobicContact SD-CZ 3.67Å; V278-F291 HydrophobicContact CG2-CD2 3.68Å; V278-F291 HydrophobicContact CG2-CE2 4.22Å; E279-F291 CarbonylContact O-C 3.56Å; E279-F291 VanDerWaalsContact O-CA 3.27Å; E279-F291 WeakPolarHBondContact O-CA 3.5Å; E279-F291 WeakPolarHBondContact O-CB 3.48Å; F291-I293 HydrophobicContact CD2-CG1 4.45Å; F291-I293 HydrophobicContact CE2-CD1 4.44Å; F291-I293 HydrophobicContact CE2-CG1 4.25Å; F291-I302 HydrophobicContact CD1-CB 4.33Å; F291-I302 HydrophobicContact CD1-CG2 4.48Å; F291-I302 HydrophobicContact CD2-CB 4.37Å; F291-I302 HydrophobicContact CE1-CB 3.91Å; F291-I302 HydrophobicContact CE1-CG2 3.65Å; F291-I302 HydrophobicContact CE2-CB 3.96Å; F291-I302 HydrophobicContact CE2-CD1 4.02Å; F291-I302 HydrophobicContact CE2-CG1 4.48Å; F291-I302 HydrophobicContact CE2-CG2 4.26Å; F291-I302 HydrophobicContact CZ-CB 3.72Å; F291-I302 HydrophobicContact CZ-CD1 4.19Å; F291-I302 HydrophobicContact CZ-CG2 3.53Å; F291-I302 PolarHBondContact N-O 3.08Å; F291-I302 PolarHBondContact O-N 3Å; F291-I302 VanDerWaalsContact O-O 3.1Å; F291-A304 HydrophobicContact CE1-CB 4.49Å; F291-K310 HydrophobicContact CD1-CG 4.46Å; F291-W313 HydrophobicContact CE1-CB 4.37Å; F291-W313 HydrophobicContact CZ-CB 4.06Å; F291-I314 HydrophobicContact CB-CD1 3.86Å; F291-I314 HydrophobicContact CB-CG1 3.94Å; F291-I314 HydrophobicContact CD1-CG1 4.48Å; F291-I314 HydrophobicContact CD2-CG1 4.19Å; F291-I314 HydrophobicContact CG-CD1 4.37Å; F291-I314 HydrophobicContact CG-CG1 3.99Å; F291-I317 HydrophobicContact CE2-CD1 4.02Å
292	I	96.1	Very high	91.7	Very high	16 Å²	16	64.6 Å²	64.6	8%	0.082	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.7	179.2	-167.4	169.7	0	0	0	110.1	V278 E279 L281 K294 F300 E301	V278-I292 VanDerWaalsContact CA-O 3.3Å; V278-I292 WeakPolarHBondContact CA-O 3.42Å; E279-I292 HydrophobicContact CB-CG2 3.96Å; E279-I292 PolarHBondContact N-O 3.1Å; E279-I292 PolarHBondContact O-N 3.25Å; L281-I292 HydrophobicContact CD1-CB 3.89Å; L281-I292 HydrophobicContact CD1-CG2 4.21Å; L281-I292 HydrophobicContact CD2-CB 4.44Å; L281-I292 HydrophobicContact CD2-CG2 3.84Å; L281-I292 HydrophobicContact CG-CB 4.04Å; L281-I292 HydrophobicContact CG-CG2 3.89Å; I292-K294 HydrophobicContact CG1-CG 4.47Å; I292-F300 WeakPolarHBondContact CA-O 3.47Å; I292-E301 HydrophobicContact CD1-CG 3.94Å; I292-E301 HydrophobicContact CG1-CG 4.17Å
293	I	96.8	Very high	92	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.3	165.9	-50.6	171.1	0	0	0	106.5	L255 I270 C277 V278 F291 S299 F300 I302 I317	L255-I293 HydrophobicContact CD2-CD1 3.37Å; I270-I293 HydrophobicContact CD1-CD1 4.41Å; I270-I293 HydrophobicContact CG2-CG2 4.39Å; C277-I293 CarbonylContact O-C 3.46Å; C277-I293 WeakPolarHBondContact O-CA 3.32Å; V278-I293 HydrophobicContact CB-CG1 4.31Å; V278-I293 HydrophobicContact CG2-CG1 3.89Å; F291-I293 HydrophobicContact CD2-CG1 4.45Å; F291-I293 HydrophobicContact CE2-CD1 4.44Å; F291-I293 HydrophobicContact CE2-CG1 4.25Å; I293-S299 CarbonylContact O-C 3.56Å; I293-S299 VanDerWaalsContact O-CA 3.27Å; I293-S299 WeakPolarHBondContact O-CA 3.32Å; I293-F300 HydrophobicContact CB-CB 4.43Å; I293-F300 PolarHBondContact N-O 3.08Å; I293-F300 PolarHBondContact O-N 3.05Å; I293-I302 HydrophobicContact CD1-CD1 3.75Å; I293-I302 HydrophobicContact CG1-CD1 4.35Å; I293-I317 HydrophobicContact CD1-CD1 3.89Å; I293-I317 HydrophobicContact CG1-CD1 4.45Å
294	K	95.1	Very high	92.2	Very high	82 Å²	82	53.7 Å²	53.7	36%	0.357	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.9	171.9	-52.3	179.7	-166.2	158.2	0	108.2	C276 C277 E279 I292	C276-K294 VanDerWaalsContact CA-O 3.22Å; C276-K294 WeakPolarHBondContact CA-O 3.45Å; C277-K294 PolarHBondContact N-O 3.08Å; C277-K294 PolarHBondContact O-N 3.49Å; E279-K294 WeakPolarHBondContact OE1-CE 3.49Å; E279-K294 IonicContact OE1-NZ 2.66Å; E279-K294 PolarHBondContact OE1-NZ 2.85Å; E279-K294 VanDerWaalsContact OE2-CE 3.25Å; E279-K294 WeakPolarHBondContact OE2-CE 3.4Å; E279-K294 IonicContact OE2-NZ 2.67Å; E279-K294 PolarHBondContact OE2-NZ 2.91Å; I292-K294 HydrophobicContact CG1-CG 4.47Å
295	C	92.9	Very high	92.5	Very high	23 Å²	23	54.5 Å²	54.5	16%	0.155	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	166.3	170.2	-46.2	0	0	0	0	107.7	D297 K298	C295-D297 PolarHBondContact O-N 2.96Å; C295-K298 WeakPolarHBondContact CB-O 3.29Å; C295-K298 PolarHBondContact N-O 3.28Å; C295-K298 PolarHBondContact O-N 3.44Å; C295-K298 VanDerWaalsContact O-N 3.16Å; C295-K298 VanDerWaalsContact O-O 3.13Å
296	L	87.6	Confident	93.2	Very high	137 Å²	137	52.7 Å²	52.7	72%	0.717	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.1	-60.2	-177.1	-68.5	167.9	0	0	0	114.5	S275	S275-L296 WeakPolarHBondContact OG-CD2 3.37Å; S275-L296 WeakPolarHBondContact OG-CG 3.44Å
297	D	83.9	Confident	93.8	Very high	136 Å²	136	56.4 Å²	56.4	73%	0.727	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-18.2	-176.4	-60.9	-24.8	0	0	0	114.8	C295	C295-D297 PolarHBondContact O-N 2.96Å
298	K	90.4	Very high	94.1	Very high	103 Å²	103	60.3 Å²	60.3	45%	0.448	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	136.5	-153.9	-71	170.9	-162.7	89	0	111.6	C295 F300	C295-K298 WeakPolarHBondContact CB-O 3.29Å; C295-K298 PolarHBondContact N-O 3.28Å; C295-K298 PolarHBondContact O-N 3.44Å; C295-K298 VanDerWaalsContact O-N 3.16Å; C295-K298 VanDerWaalsContact O-O 3.13Å; K298-F300 HydrophobicContact CB-CE2 3.88Å; K298-F300 HydrophobicContact CB-CZ 3.96Å; K298-F300 HydrophobicContact CD-CZ 4.38Å
299	S	92.6	Very high	94.2	Very high	59 Å²	59	57 Å²	57	41%	0.413	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	148.2	170.1	64.9	0	0	0	0	112.5	I293	I293-S299 CarbonylContact O-C 3.56Å; I293-S299 VanDerWaalsContact O-CA 3.27Å; I293-S299 WeakPolarHBondContact O-CA 3.32Å
300	F	94.6	Very high	94.3	Very high	21 Å²	21	56.7 Å²	56.7	9%	0.092	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	102.6	-172.1	-59	-83.9	0	0	0	109.7	I270 I292 I293 K298	I270-F300 HydrophobicContact CB-CE2 4.4Å; I270-F300 HydrophobicContact CD1-CB 4.09Å; I270-F300 HydrophobicContact CD1-CD1 3.87Å; I270-F300 HydrophobicContact CD1-CD2 3.93Å; I270-F300 HydrophobicContact CD1-CE1 4.24Å; I270-F300 HydrophobicContact CD1-CE2 4.31Å; I270-F300 HydrophobicContact CD1-CG 3.69Å; I270-F300 HydrophobicContact CD1-CZ 4.44Å; I270-F300 HydrophobicContact CG1-CD1 4.17Å; I270-F300 HydrophobicContact CG1-CD2 4.1Å; I270-F300 HydrophobicContact CG1-CE1 4.01Å; I270-F300 HydrophobicContact CG1-CE2 3.96Å; I270-F300 HydrophobicContact CG1-CG 4.2Å; I270-F300 HydrophobicContact CG1-CZ 3.9Å; I270-F300 HydrophobicContact CG2-CD2 3.92Å; I270-F300 HydrophobicContact CG2-CE2 3.81Å; I292-F300 WeakPolarHBondContact CA-O 3.47Å; I293-F300 HydrophobicContact CB-CB 4.43Å; I293-F300 PolarHBondContact N-O 3.08Å; I293-F300 PolarHBondContact O-N 3.05Å; K298-F300 HydrophobicContact CB-CE2 3.88Å; K298-F300 HydrophobicContact CB-CZ 3.96Å; K298-F300 HydrophobicContact CD-CZ 4.38Å
301	E	95.1	Very high	94.3	Very high	36 Å²	36	60.9 Å²	60.9	17%	0.168	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	126.7	170.8	-63.6	-175	176.8	0	0	109.9	K236 W243 L281 K284 I292	K236-E301 HydrophobicContact CB-CB 3.94Å; K236-E301 WeakPolarHBondContact CB-O 3.42Å; K236-E301 HydrophobicContact CD-CB 3.98Å; K236-E301 HydrophobicContact CD-CG 4.42Å; K236-E301 WeakPolarHBondContact CD-OE2 3.36Å; K236-E301 WeakPolarHBondContact CE-OE2 3.34Å; K236-E301 PolarHBondContact N-O 3.3Å; K236-E301 IonicContact NZ-OE2 2.73Å; K236-E301 PolarHBondContact NZ-OE2 2.83Å; W243-E301 HydrophobicContact CH2-CB 3.9Å; L281-E301 HydrophobicContact CD1-CG 4.28Å; K284-E301 WeakPolarHBondContact CE-OE2 3.48Å; K284-E301 VanDerWaalsContact NZ-CD 3.33Å; K284-E301 IonicContact NZ-OE1 3.53Å; K284-E301 PolarHBondContact NZ-OE1 3.31Å; K284-E301 IonicContact NZ-OE2 3.54Å; K284-E301 PolarHBondContact NZ-OE2 3.19Å; I292-E301 HydrophobicContact CD1-CG 3.94Å; I292-E301 HydrophobicContact CG1-CG 4.17Å
302	I	96.3	Very high	94.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.7	-176.4	-55.7	177.2	0	0	0	108.7	M233 M234 F248 L290 F291 I293	M233-I302 HydrophobicContact CB-CG2 3.79Å; M233-I302 HydrophobicContact CE-CG2 4.08Å; M233-I302 HydrophobicContact CG-CG2 4.36Å; M233-I302 HydrophobicContact SD-CG2 3.69Å; M234-I302 CarbonylContact O-C 3.59Å; M234-I302 WeakPolarHBondContact O-CA 3.19Å; F248-I302 HydrophobicContact CE1-CD1 3.9Å; F248-I302 HydrophobicContact CZ-CD1 3.93Å; F248-I302 HydrophobicContact CZ-CG1 4.35Å; F248-I302 HydrophobicContact CZ-CG2 4.49Å; L290-I302 CarbonylContact C-O 3.54Å; L290-I302 WeakPolarHBondContact CA-O 3.24Å; F291-I302 HydrophobicContact CD1-CB 4.33Å; F291-I302 HydrophobicContact CD1-CG2 4.48Å; F291-I302 HydrophobicContact CD2-CB 4.37Å; F291-I302 HydrophobicContact CE1-CB 3.91Å; F291-I302 HydrophobicContact CE1-CG2 3.65Å; F291-I302 HydrophobicContact CE2-CB 3.96Å; F291-I302 HydrophobicContact CE2-CD1 4.02Å; F291-I302 HydrophobicContact CE2-CG1 4.48Å; F291-I302 HydrophobicContact CE2-CG2 4.26Å; F291-I302 HydrophobicContact CZ-CB 3.72Å; F291-I302 HydrophobicContact CZ-CD1 4.19Å; F291-I302 HydrophobicContact CZ-CG2 3.53Å; F291-I302 PolarHBondContact N-O 3.08Å; F291-I302 PolarHBondContact O-N 3Å; F291-I302 VanDerWaalsContact O-O 3.1Å; I293-I302 HydrophobicContact CD1-CD1 3.75Å; I293-I302 HydrophobicContact CG1-CD1 4.35Å
303	S	96.3	Very high	94.4	Very high	9 Å²	9	62.4 Å²	62.4	6%	0.063	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	124.6	175	163.3	0	0	0	0	108.5	M234 K288	M234-S303 PolarHBondContact N-O 3.12Å; M234-S303 PolarHBondContact O-N 3.35Å; K288-S303 PolarHBondContact O-OG 2.89Å
304	A	96.3	Very high	94.5	Very high	6 Å²	6	62.7 Å²	62.7	5%	0.05	32%	0.315	C	S	.	.			trans	-87	164.1	172.7	0	0	0	0	0	111	C289 F291 D306 K309 K310	C289-A304 PolarHBondContact O-N 2.75Å; F291-A304 HydrophobicContact CE1-CB 4.49Å; A304-D306 VanDerWaalsContact C-N 3.26Å; A304-D306 PolarHBondContact O-N 3.05Å; A304-K309 HydrophobicContact CB-CB 4.22Å; A304-K310 HydrophobicContact CB-CB 4.11Å
305	S	94.4	Very high	94.6	Very high	98 Å²	98	64.9 Å²	64.9	69%	0.685	33%	0.326	S	S	*	.	S	Bend	trans	-52.5	-42	174.6	46.6	0	0	0	0	113.4	K309	S305-K309 WeakPolarHBondContact OG-CG 3.46Å
306	D	95.4	Very high	94.7	Very high	61 Å²	61	64.8 Å²	64.8	33%	0.326	33%	0.328	S	S	.	.	S	Bend	trans	-156.4	173.6	-168.5	65.6	82.5	0	0	0	112.3	A304 K308 K309 K310	A304-D306 VanDerWaalsContact C-N 3.26Å; A304-D306 PolarHBondContact O-N 3.05Å; D306-K308 PolarHBondContact O-N 3.31Å; D306-K308 VanDerWaalsContact OD1-CA 3.32Å; D306-K308 WeakPolarHBondContact OD1-CA 3.19Å; D306-K308 VanDerWaalsContact OD1-CB 3.26Å; D306-K308 WeakPolarHBondContact OD1-CB 3.47Å; D306-K308 PolarHBondContact OD1-N 3.01Å; D306-K309 PolarHBondContact OD1-N 2.95Å; D306-K309 WeakPolarHBondContact OD2-CB 3.19Å; D306-K309 WeakPolarHBondContact OD2-CG 3.34Å; D306-K310 WeakPolarHBondContact O-CB 3.45Å; D306-K310 PolarHBondContact O-N 3.31Å
307	K	94.8	Very high	95.2	Very high	160 Å²	160	58.3 Å²	58.3	70%	0.696	29%	0.294	S	S	*	.	H	α-helix	trans	-67.7	-31.9	-176.1	-170.9	179.3	177.5	-175.1	0	112.9	C289 Q311	C289-K307 PolarHBondContact SG-N 2.92Å; C289-K307 VanDerWaalsContact SG-N 3.41Å; K307-Q311 WeakPolarHBondContact O-CG 3.46Å; K307-Q311 PolarHBondContact O-N 3.15Å
308	K	96.4	Very high	95.7	Very high	149 Å²	149	56.5 Å²	56.5	65%	0.648	28%	0.281	S	S	*	.	H	α-helix	trans	-70.8	-52	177	-174.7	-170.9	175.8	-174.9	0	109.2	D306 K310 Q311 E312	D306-K308 PolarHBondContact O-N 3.31Å; D306-K308 VanDerWaalsContact OD1-CA 3.32Å; D306-K308 WeakPolarHBondContact OD1-CA 3.19Å; D306-K308 VanDerWaalsContact OD1-CB 3.26Å; D306-K308 WeakPolarHBondContact OD1-CB 3.47Å; D306-K308 PolarHBondContact OD1-N 3.01Å; K308-K310 VanDerWaalsContact C-N 3.3Å; K308-K310 PolarHBondContact O-N 3.34Å; K308-Q311 PolarHBondContact O-N 2.96Å; K308-E312 VanDerWaalsContact CE-OE1 3.26Å; K308-E312 WeakPolarHBondContact CE-OE1 3.49Å; K308-E312 HydrophobicContact CG-CG 4.43Å; K308-E312 WeakPolarHBondContact O-CG 3.25Å; K308-E312 PolarHBondContact O-N 3.25Å
309	K	95.9	Very high	95.9	Very high	79 Å²	79	54.8 Å²	54.8	34%	0.343	28%	0.279	S	S	.	.	H	α-helix	trans	-59.5	-38.4	177.3	-69.2	-70.5	166.7	-159.1	0	112.3	A304 S305 D306 Q311 E312 W313	A304-K309 HydrophobicContact CB-CB 4.22Å; S305-K309 WeakPolarHBondContact OG-CG 3.46Å; D306-K309 PolarHBondContact OD1-N 2.95Å; D306-K309 WeakPolarHBondContact OD2-CB 3.19Å; D306-K309 WeakPolarHBondContact OD2-CG 3.34Å; K309-Q311 PolarHBondContact O-N 3.4Å; K309-E312 WeakPolarHBondContact CD-OE2 3.36Å; K309-E312 IonicContact NZ-OE1 3.27Å; K309-E312 PolarHBondContact NZ-OE1 3.09Å; K309-E312 VanDerWaalsContact NZ-OE1 3.16Å; K309-E312 IonicContact NZ-OE2 3.28Å; K309-E312 PolarHBondContact NZ-OE2 2.88Å; K309-E312 PolarHBondContact O-N 3.41Å; K309-W313 WeakPolarHBondContact O-CB 3.47Å; K309-W313 PolarHBondContact O-N 2.87Å
310	K	96.3	Very high	96	Very high	15 Å²	15	52 Å²	52	7%	0.065	26%	0.26	C	S	.	.	H	α-helix	trans	-53.4	-50.4	169.8	168.3	172.5	171.4	170.9	0	112	S280 L281 C289 L290 F291 A304 D306 K308 W313 I314	S280-K310 VanDerWaalsContact OG-CE 3.22Å; S280-K310 WeakPolarHBondContact OG-CE 3.26Å; S280-K310 PolarHBondContact OG-NZ 3.38Å; L281-K310 PolarHBondContact O-NZ 3.39Å; C289-K310 HydrophobicContact CB-CB 4.19Å; C289-K310 HydrophobicContact CB-CD 4.21Å; L290-K310 WeakPolarHBondContact O-CE 3.35Å; L290-K310 PolarHBondContact O-NZ 3.06Å; F291-K310 HydrophobicContact CD1-CG 4.46Å; A304-K310 HydrophobicContact CB-CB 4.11Å; D306-K310 WeakPolarHBondContact O-CB 3.45Å; D306-K310 PolarHBondContact O-N 3.31Å; K308-K310 VanDerWaalsContact C-N 3.3Å; K308-K310 PolarHBondContact O-N 3.34Å; K310-W313 PolarHBondContact O-N 3.03Å; K310-I314 HydrophobicContact CD-CD1 4.35Å; K310-I314 HydrophobicContact CG-CD1 3.65Å; K310-I314 HydrophobicContact CG-CG1 4.45Å; K310-I314 WeakPolarHBondContact O-CB 3.3Å; K310-I314 VanDerWaalsContact O-CG1 3.24Å; K310-I314 WeakPolarHBondContact O-CG1 3.13Å; K310-I314 PolarHBondContact O-N 3.42Å
311	Q	97.1	Very high	96	Very high	89 Å²	89	51.2 Å²	51.2	42%	0.416	26%	0.257	S	S	.	.	H	α-helix	trans	-69.6	-41.5	-179.3	-62.2	-56	-30.1	0	0	112	K307 K308 K309 W313 I314 Q315	K307-Q311 WeakPolarHBondContact O-CG 3.46Å; K307-Q311 PolarHBondContact O-N 3.15Å; K308-Q311 PolarHBondContact O-N 2.96Å; K309-Q311 PolarHBondContact O-N 3.4Å; Q311-W313 VanDerWaalsContact C-N 3.29Å; Q311-W313 PolarHBondContact O-N 2.95Å; Q311-I314 PolarHBondContact O-N 3.5Å; Q311-Q315 WeakPolarHBondContact O-CB 3.49Å; Q311-Q315 PolarHBondContact O-N 2.93Å
312	E	97.1	Very high	95.9	Very high	41 Å²	41	53.6 Å²	53.6	19%	0.192	27%	0.268	C	S	.	.	H	α-helix	trans	-56.3	-42.1	174.6	-67.3	176.7	-154.5	0	0	112.2	K229 K308 K309 A316	K229-E312 IonicContact NZ-OE2 3.61Å; K229-E312 PolarHBondContact NZ-OE2 3.42Å; K308-E312 VanDerWaalsContact CE-OE1 3.26Å; K308-E312 WeakPolarHBondContact CE-OE1 3.49Å; K308-E312 HydrophobicContact CG-CG 4.43Å; K308-E312 WeakPolarHBondContact O-CG 3.25Å; K308-E312 PolarHBondContact O-N 3.25Å; K309-E312 WeakPolarHBondContact CD-OE2 3.36Å; K309-E312 IonicContact NZ-OE1 3.27Å; K309-E312 PolarHBondContact NZ-OE1 3.09Å; K309-E312 VanDerWaalsContact NZ-OE1 3.16Å; K309-E312 IonicContact NZ-OE2 3.28Å; K309-E312 PolarHBondContact NZ-OE2 2.88Å; K309-E312 PolarHBondContact O-N 3.41Å; E312-A316 WeakPolarHBondContact O-CB 3.31Å; E312-A316 PolarHBondContact O-N 2.95Å; E312-A316 VanDerWaalsContact O-N 3.11Å
313	W	97.7	Very high	95.6	Very high	6 Å²	6	54.7 Å²	54.7	2%	0.023	27%	0.273	C	S	.	.	H	α-helix	trans	-73	-45	178.7	-83.2	110.7	0	0	0	112.7	K229 M233 F248 L250 L255 F291 K309 K310 Q311 Q315 A316 I317	K229-W313 HydrophobicContact CB-CE3 4.36Å; K229-W313 HydrophobicContact CB-CH2 4.2Å; K229-W313 HydrophobicContact CB-CZ3 3.98Å; K229-W313 HydrophobicContact CD-CD2 3.65Å; K229-W313 HydrophobicContact CD-CE3 3.74Å; K229-W313 HydrophobicContact CD-CG 4.1Å; K229-W313 HydrophobicContact CD-CH2 4.45Å; K229-W313 HydrophobicContact CD-CZ2 4.37Å; K229-W313 HydrophobicContact CD-CZ3 4.15Å; K229-W313 HydrophobicContact CG-CD2 4.22Å; K229-W313 HydrophobicContact CG-CE3 4.12Å; K229-W313 HydrophobicContact CG-CH2 3.97Å; K229-W313 HydrophobicContact CG-CZ2 4.06Å; K229-W313 HydrophobicContact CG-CZ3 4Å; M233-W313 HydrophobicContact CE-CD2 3.53Å; M233-W313 HydrophobicContact CE-CE3 3.66Å; M233-W313 HydrophobicContact CE-CG 4.08Å; M233-W313 HydrophobicContact CE-CH2 3.95Å; M233-W313 HydrophobicContact CE-CZ2 3.82Å; M233-W313 HydrophobicContact CE-CZ3 3.87Å; M233-W313 HydrophobicContact SD-CB 4.23Å; M233-W313 HydrophobicContact SD-CD2 3.65Å; M233-W313 HydrophobicContact SD-CE3 4.37Å; M233-W313 HydrophobicContact SD-CG 3.57Å; M233-W313 VanDerWaalsContact SD-CG 3.57Å; M233-W313 HydrophobicContact SD-CZ2 4.36Å; F248-W313 HydrophobicContact CB-CH2 3.75Å; F248-W313 HydrophobicContact CB-CZ2 4.29Å; F248-W313 HydrophobicContact CB-CZ3 4.32Å; L250-W313 HydrophobicContact CB-CZ3 4.09Å; L255-W313 HydrophobicContact CD1-CZ3 3.93Å; F291-W313 HydrophobicContact CE1-CB 4.37Å; F291-W313 HydrophobicContact CZ-CB 4.06Å; K309-W313 WeakPolarHBondContact O-CB 3.47Å; K309-W313 PolarHBondContact O-N 2.87Å; K310-W313 PolarHBondContact O-N 3.03Å; Q311-W313 VanDerWaalsContact C-N 3.29Å; Q311-W313 PolarHBondContact O-N 2.95Å; W313-Q315 PolarHBondContact O-N 3.14Å; W313-A316 PolarHBondContact O-N 2.89Å; W313-I317 HydrophobicContact CE3-CD1 4.45Å; W313-I317 WeakPolarHBondContact O-CB 3.3Å; W313-I317 WeakPolarHBondContact O-CD1 3.49Å; W313-I317 VanDerWaalsContact O-CG1 3.23Å; W313-I317 WeakPolarHBondContact O-CG1 3.47Å; W313-I317 PolarHBondContact O-N 3.12Å; W313-I317 VanDerWaalsContact O-N 3.09Å
314	I	97.4	Very high	95.3	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-57.2	-50.7	174.6	-70.6	169.1	0	0	0	109.8	V278 F291 K310 Q311 A316 I317 Q318	V278-I314 HydrophobicContact CG1-CG2 4.37Å; V278-I314 HydrophobicContact CG2-CG1 4.34Å; F291-I314 HydrophobicContact CB-CD1 3.86Å; F291-I314 HydrophobicContact CB-CG1 3.94Å; F291-I314 HydrophobicContact CD1-CG1 4.48Å; F291-I314 HydrophobicContact CD2-CG1 4.19Å; F291-I314 HydrophobicContact CG-CD1 4.37Å; F291-I314 HydrophobicContact CG-CG1 3.99Å; K310-I314 HydrophobicContact CD-CD1 4.35Å; K310-I314 HydrophobicContact CG-CD1 3.65Å; K310-I314 HydrophobicContact CG-CG1 4.45Å; K310-I314 WeakPolarHBondContact O-CB 3.3Å; K310-I314 VanDerWaalsContact O-CG1 3.24Å; K310-I314 WeakPolarHBondContact O-CG1 3.13Å; K310-I314 PolarHBondContact O-N 3.42Å; Q311-I314 PolarHBondContact O-N 3.5Å; I314-A316 PolarHBondContact O-N 3.27Å; I314-I317 PolarHBondContact O-N 2.82Å; I314-Q318 HydrophobicContact CG2-CG 4.22Å; I314-Q318 WeakPolarHBondContact O-CB 3.27Å; I314-Q318 VanDerWaalsContact O-CG 3.28Å; I314-Q318 WeakPolarHBondContact O-CG 3.49Å; I314-Q318 PolarHBondContact O-N 3.04Å
315	Q	97.2	Very high	95.1	Very high	128 Å²	128	61.2 Å²	61.2	60%	0.598	30%	0.298	S	S	*	.	H	α-helix	trans	-60.1	-48.1	-178.3	-174.7	-179.9	5.4	0	0	111.7	Q311 W313 I317 Q318 T319	Q311-Q315 WeakPolarHBondContact O-CB 3.49Å; Q311-Q315 PolarHBondContact O-N 2.93Å; W313-Q315 PolarHBondContact O-N 3.14Å; Q315-I317 VanDerWaalsContact C-N 3.34Å; Q315-I317 PolarHBondContact O-N 3.31Å; Q315-Q318 PolarHBondContact O-N 2.87Å; Q315-T319 PolarHBondContact O-N 2.85Å; Q315-T319 PolarHBondContact O-OG1 3.37Å
316	A	96.5	Very high	94.9	Very high	22 Å²	22	61.7 Å²	61.7	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-60.6	-42.2	179.3	0	0	0	0	0	112.3	K229 L250 E312 W313 I314 T319 C320	K229-A316 HydrophobicContact CB-CB 4.42Å; K229-A316 HydrophobicContact CD-CB 3.97Å; L250-A316 HydrophobicContact CD2-CB 3.61Å; E312-A316 WeakPolarHBondContact O-CB 3.31Å; E312-A316 PolarHBondContact O-N 2.95Å; E312-A316 VanDerWaalsContact O-N 3.11Å; W313-A316 PolarHBondContact O-N 2.89Å; I314-A316 PolarHBondContact O-N 3.27Å; A316-T319 PolarHBondContact O-N 2.92Å; A316-C320 PolarHBondContact O-N 3.22Å; A316-C320 VanDerWaalsContact O-N 3.08Å; A316-C320 PolarHBondContact O-SG 3.04Å
317	I	96.6	Very high	94.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-68.5	-38.8	177.2	-63.6	162.6	0	0	0	111	L250 L255 L272 V278 F291 I293 W313 I314 Q315 C320 I321	L250-I317 HydrophobicContact CD1-CG1 4.13Å; L250-I317 HydrophobicContact CD2-CG1 4.09Å; L255-I317 HydrophobicContact CD2-CD1 3.85Å; L255-I317 HydrophobicContact CD2-CG1 4.43Å; L272-I317 HydrophobicContact CD2-CG2 4.41Å; V278-I317 HydrophobicContact CB-CG2 3.99Å; V278-I317 HydrophobicContact CG1-CB 4.04Å; V278-I317 HydrophobicContact CG1-CG2 3.72Å; V278-I317 HydrophobicContact CG2-CG2 4.45Å; F291-I317 HydrophobicContact CE2-CD1 4.02Å; I293-I317 HydrophobicContact CD1-CD1 3.89Å; I293-I317 HydrophobicContact CG1-CD1 4.45Å; W313-I317 HydrophobicContact CE3-CD1 4.45Å; W313-I317 WeakPolarHBondContact O-CB 3.3Å; W313-I317 WeakPolarHBondContact O-CD1 3.49Å; W313-I317 VanDerWaalsContact O-CG1 3.23Å; W313-I317 WeakPolarHBondContact O-CG1 3.47Å; W313-I317 PolarHBondContact O-N 3.12Å; W313-I317 VanDerWaalsContact O-N 3.09Å; I314-I317 PolarHBondContact O-N 2.82Å; Q315-I317 VanDerWaalsContact C-N 3.34Å; Q315-I317 PolarHBondContact O-N 3.31Å; I317-C320 PolarHBondContact O-N 3.4Å; I317-I321 HydrophobicContact CG2-CD1 3.87Å; I317-I321 WeakPolarHBondContact O-CG1 3.46Å; I317-I321 PolarHBondContact O-N 3.32Å
318	Q	95.8	Very high	93.8	Very high	98 Å²	98	57.5 Å²	57.5	46%	0.458	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-42.6	174.2	-73.7	177	-14.6	0	0	111.8	V278 I314 Q315 I321 Q322	V278-Q318 HydrophobicContact CG1-CB 4.44Å; V278-Q318 HydrophobicContact CG1-CG 3.35Å; V278-Q318 PolarHBondContact O-NE2 3.15Å; I314-Q318 HydrophobicContact CG2-CG 4.22Å; I314-Q318 WeakPolarHBondContact O-CB 3.27Å; I314-Q318 VanDerWaalsContact O-CG 3.28Å; I314-Q318 WeakPolarHBondContact O-CG 3.49Å; I314-Q318 PolarHBondContact O-N 3.04Å; Q315-Q318 PolarHBondContact O-N 2.87Å; Q318-I321 PolarHBondContact O-N 2.97Å; Q318-Q322 WeakPolarHBondContact O-CB 3.31Å; Q318-Q322 PolarHBondContact O-N 3.15Å
319	T	94.2	Very high	93.1	Very high	67 Å²	67	52.6 Å²	52.6	41%	0.411	27%	0.272	S	S	.	.	H	α-helix	trans	-60.5	-45.2	174.7	-61.9	0	0	0	0	111.3	Q315 A316 Q322 L323	Q315-T319 PolarHBondContact O-N 2.85Å; Q315-T319 PolarHBondContact O-OG1 3.37Å; A316-T319 PolarHBondContact O-N 2.92Å; T319-Q322 PolarHBondContact O-N 3.4Å; T319-L323 HydrophobicContact CG2-CD1 4.04Å; T319-L323 HydrophobicContact CG2-CG 4.39Å; T319-L323 WeakPolarHBondContact O-CG 3.3Å; T319-L323 PolarHBondContact O-N 2.83Å
320	C	94.4	Very high	92.5	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.014	26%	0.257	C	S	.	.	H	α-helix	trans	-58.3	-52	176.6	-61.7	0	0	0	0	111.6	L228 L272 A316 I317 Q322 L323 L324	L228-C320 VanDerWaalsContact CD1-SG 3.51Å; L272-C320 HydrophobicContact CD1-CB 3.96Å; A316-C320 PolarHBondContact O-N 3.22Å; A316-C320 VanDerWaalsContact O-N 3.08Å; A316-C320 PolarHBondContact O-SG 3.04Å; I317-C320 PolarHBondContact O-N 3.4Å; C320-Q322 PolarHBondContact O-N 3.26Å; C320-L323 PolarHBondContact O-N 3.35Å; C320-L324 VanDerWaalsContact O-CG 3.32Å; C320-L324 WeakPolarHBondContact O-CG 3.42Å; C320-L324 PolarHBondContact O-N 2.76Å
321	I	93.9	Very high	92.1	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-58.4	-37.3	177.7	-67.8	166.9	0	0	0	111.3	C276 I317 Q318 R325	C276-I321 HydrophobicContact CB-CD1 3.79Å; C276-I321 HydrophobicContact CB-CG1 4.08Å; C276-I321 WeakPolarHBondContact O-CG2 3.38Å; I317-I321 HydrophobicContact CG2-CD1 3.87Å; I317-I321 WeakPolarHBondContact O-CG1 3.46Å; I317-I321 PolarHBondContact O-N 3.32Å; Q318-I321 PolarHBondContact O-N 2.97Å; I321-R325 VanDerWaalsContact CG2-CZ 3.49Å; I321-R325 WeakPolarHBondContact O-CG 3.29Å; I321-R325 PolarHBondContact O-N 3.02Å; I321-R325 VanDerWaalsContact O-N 3.11Å
322	Q	93.1	Very high	91.7	Very high	86 Å²	86	47.2 Å²	47.2	40%	0.402	25%	0.252	S	S	.	.	H	α-helix	trans	-73.6	-36.6	179.5	-170.6	57.9	31.8	0	0	113	Q318 T319 C320 R325 L326	Q318-Q322 WeakPolarHBondContact O-CB 3.31Å; Q318-Q322 PolarHBondContact O-N 3.15Å; T319-Q322 PolarHBondContact O-N 3.4Å; C320-Q322 PolarHBondContact O-N 3.26Å; Q322-R325 PolarHBondContact O-N 3.1Å; Q322-L326 HydrophobicContact CG-CD1 4.22Å; Q322-L326 WeakPolarHBondContact O-CG 3.12Å; Q322-L326 PolarHBondContact O-N 3.07Å; Q322-L326 VanDerWaalsContact O-N 3.13Å
323	L	90.5	Very high	91.3	Very high	23 Å²	23	47.9 Å²	47.9	12%	0.12	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-45.8	172.3	-68.7	167	0	0	0	110.6	T319 C320 R325 L326 G327 L328 P331	T319-L323 HydrophobicContact CG2-CD1 4.04Å; T319-L323 HydrophobicContact CG2-CG 4.39Å; T319-L323 WeakPolarHBondContact O-CG 3.3Å; T319-L323 PolarHBondContact O-N 2.83Å; C320-L323 PolarHBondContact O-N 3.35Å; L323-R325 VanDerWaalsContact C-N 3.28Å; L323-R325 PolarHBondContact O-N 3.41Å; L323-L326 CarbonylContact O-C 3.59Å; L323-L326 PolarHBondContact O-N 3.1Å; L323-G327 PolarHBondContact O-N 2.87Å; L323-L328 HydrophobicContact CB-CB 4.39Å; L323-L328 HydrophobicContact CD2-CB 3.73Å; L323-L328 HydrophobicContact CD2-CD1 3.9Å; L323-L328 HydrophobicContact CD2-CG 4.48Å; L323-L328 PolarHBondContact O-N 2.88Å; L323-P331 HydrophobicContact CD1-CG 3.81Å
324	L	90.6	Very high	90.8	Very high	38 Å²	38	49.8 Å²	49.8	20%	0.199	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-36.5	175.8	-66.1	171.2	0	0	0	112.7	T253 L272 Q274 C320	T253-L324 HydrophobicContact CG2-CD2 3.94Å; L272-L324 HydrophobicContact CB-CD1 3.89Å; L272-L324 VanDerWaalsContact O-CD1 3.29Å; L272-L324 WeakPolarHBondContact O-CD1 3.48Å; Q274-L324 HydrophobicContact CG-CB 4.41Å; Q274-L324 WeakPolarHBondContact CG-O 3.42Å; Q274-L324 PolarHBondContact NE2-O 3.35Å; C320-L324 VanDerWaalsContact O-CG 3.32Å; C320-L324 WeakPolarHBondContact O-CG 3.42Å; C320-L324 PolarHBondContact O-N 2.76Å
325	R	91.6	Very high	90.5	Very high	114 Å²	114	51.2 Å²	51.2	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-70.2	-29.7	174.8	-76.4	171.9	179.3	154.8	7.9	114	Q274 C276 I321 Q322 L323	Q274-R325 HydrophobicContact CB-CG 3.98Å; Q274-R325 HydrophobicContact CG-CG 4.26Å; Q274-R325 PolarHBondContact O-NE 3.05Å; Q274-R325 PolarHBondContact O-NH2 3.41Å; C276-R325 PolarHBondContact O-NH2 3.49Å; I321-R325 VanDerWaalsContact CG2-CZ 3.49Å; I321-R325 WeakPolarHBondContact O-CG 3.29Å; I321-R325 PolarHBondContact O-N 3.02Å; I321-R325 VanDerWaalsContact O-N 3.11Å; Q322-R325 PolarHBondContact O-N 3.1Å; L323-R325 VanDerWaalsContact C-N 3.28Å; L323-R325 PolarHBondContact O-N 3.41Å
326	L	89.8	Confident	90.2	Very high	108 Å²	108	45.3 Å²	45.3	57%	0.565	25%	0.247	S	C	*	.	H	α-helix	trans	-90	-6.6	179	-66.3	171.5	0	0	0	112.6	Q322 L323 L328	Q322-L326 HydrophobicContact CG-CD1 4.22Å; Q322-L326 WeakPolarHBondContact O-CG 3.12Å; Q322-L326 PolarHBondContact O-N 3.07Å; Q322-L326 VanDerWaalsContact O-N 3.13Å; L323-L326 CarbonylContact O-C 3.59Å; L323-L326 PolarHBondContact O-N 3.1Å; L326-L328 VanDerWaalsContact C-N 3.26Å; L326-L328 HydrophobicContact CB-CD1 3.78Å; L326-L328 HydrophobicContact CB-CG 3.76Å; L326-L328 HydrophobicContact CD1-CD1 3.82Å; L326-L328 HydrophobicContact CG-CD1 4.46Å; L326-L328 PolarHBondContact O-N 3.08Å
327	G	85.3	Confident	89.9	Confident	59 Å²	59	46.7 Å²	46.7	61%	0.608	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	23.7	-173.6	0	0	0	0	0	113.3	L323	L323-G327 PolarHBondContact O-N 2.87Å
328	L	83.4	Confident	89.7	Confident	74 Å²	74	53.7 Å²	53.7	39%	0.387	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-88	145	-175.7	-67.7	173.9	0	0	0	112	L323 L326	L323-L328 HydrophobicContact CB-CB 4.39Å; L323-L328 HydrophobicContact CD2-CB 3.73Å; L323-L328 HydrophobicContact CD2-CD1 3.9Å; L323-L328 HydrophobicContact CD2-CG 4.48Å; L323-L328 PolarHBondContact O-N 2.88Å; L326-L328 VanDerWaalsContact C-N 3.26Å; L326-L328 HydrophobicContact CB-CD1 3.78Å; L326-L328 HydrophobicContact CB-CG 3.76Å; L326-L328 HydrophobicContact CD1-CD1 3.82Å; L326-L328 HydrophobicContact CG-CD1 4.46Å; L326-L328 PolarHBondContact O-N 3.08Å
329	L	80.8	Confident	89.6	Confident	46 Å²	46	51.4 Å²	51.4	24%	0.241	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-61.9	173.4	175.8	-62.2	174.8	0	0	0	112.4	D17 R333 L337	D17-L329 VanDerWaalsContact OD1-CD2 3.25Å; D17-L329 WeakPolarHBondContact OD1-CD2 3.35Å; L329-R333 HydrophobicContact CB-CB 4.2Å; L329-L337 HydrophobicContact CD1-CD1 3.6Å
330	S	83.6	Confident	89.5	Confident	6 Å²	6	49.2 Å²	49.2	4%	0.042	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-60.7	148.3	173.4	87	0	0	0	0	111.5	D226 H332 R333 E334	D226-S330 WeakPolarHBondContact OD1-CB 3.39Å; D226-S330 PolarHBondContact OD1-OG 2.69Å; S330-H332 PolarHBondContact O-N 3.4Å; S330-H332 VanDerWaalsContact O-N 3.1Å; S330-R333 PolarHBondContact O-N 2.89Å; S330-R333 WeakPolarHBondContact OG-CD 3.29Å; S330-R333 VanDerWaalsContact OG-CG 3.28Å; S330-R333 WeakPolarHBondContact OG-CG 3.45Å; S330-R333 PolarHBondContact OG-N 2.87Å; S330-E334 PolarHBondContact O-N 3.03Å
331	P	87.9	Confident	89.4	Confident	42 Å²	42	54.7 Å²	54.7	27%	0.273	27%	0.274	S	S	.	.	H	α-helix	trans	-54.2	-34.8	-177	-29	35.7	0	0	0	114.3	L228 L323 A335	L228-P331 HydrophobicContact CD1-CG 4.44Å; L228-P331 HydrophobicContact CD2-CG 4.13Å; L323-P331 HydrophobicContact CD1-CG 3.81Å; P331-A335 WeakPolarHBondContact O-CB 3.45Å; P331-A335 PolarHBondContact O-N 3.18Å
332	H	89.5	Confident	89.3	Confident	21 Å²	21	59.1 Å²	59.1	10%	0.097	30%	0.298	C	S	.	.	H	α-helix	trans	-75.3	-35.8	-178.8	-51.6	-67.2	0	0	0	111.7	F141 E222 L223 L228 S330 R336	F141-H332 HydrophobicContact CZ-CB 4.27Å; E222-H332 WeakPolarHBondContact CG-CE1 3.46Å; E222-H332 PolarHBondContact O-CD2 2.59Å; E222-H332 IonicContact OE1-CE1 2.72Å; E222-H332 PolarHBondContact OE1-CE1 2.91Å; E222-H332 IonicContact OE1-ND1 3.28Å; E222-H332 PolarHBondContact OE1-ND1 3.39Å; L223-H332 HydrophobicContact CD2-CB 3.95Å; L228-H332 VanDerWaalsContact CD2-NE2 3.26Å; L228-H332 WeakPolarHBondContact CD2-NE2 3.38Å; S330-H332 PolarHBondContact O-N 3.4Å; S330-H332 VanDerWaalsContact O-N 3.1Å; H332-R336 WeakPolarHBondContact O-CB 3.3Å; H332-R336 PolarHBondContact O-N 2.71Å
333	R	87.1	Confident	89.3	Confident	56 Å²	56	56.2 Å²	56.2	21%	0.211	28%	0.283	C	S	.	.	H	α-helix	trans	-68.3	-46.9	172.8	-64.6	173.8	-158.3	-162	4.1	111.1	W20 F141 D226 L329 S330 A335 R336 L337	W20-R333 VanDerWaalsContact CE3-NH1 3.35Å; W20-R333 HydrophobicContact CH2-CG 3.91Å; W20-R333 HydrophobicContact CZ2-CG 3.64Å; F141-R333 HydrophobicContact CE2-CG 3.99Å; F141-R333 HydrophobicContact CZ-CG 4.34Å; D226-R333 IonicContact OD2-CZ 2.64Å; D226-R333 IonicContact OD2-NE 3.61Å; D226-R333 PolarHBondContact OD2-NE 3.4Å; D226-R333 IonicContact OD2-NH2 3.01Å; D226-R333 PolarHBondContact OD2-NH2 3.39Å; L329-R333 HydrophobicContact CB-CB 4.2Å; S330-R333 PolarHBondContact O-N 2.89Å; S330-R333 WeakPolarHBondContact OG-CD 3.29Å; S330-R333 VanDerWaalsContact OG-CG 3.28Å; S330-R333 WeakPolarHBondContact OG-CG 3.45Å; S330-R333 PolarHBondContact OG-N 2.87Å; R333-A335 PolarHBondContact O-N 2.87Å; R333-R336 WeakPolarHBondContact O-CB 3.4Å; R333-R336 PolarHBondContact O-N 2.8Å; R333-L337 WeakPolarHBondContact O-CG 3.16Å; R333-L337 PolarHBondContact O-N 2.94Å
334	E	88.3	Confident	89.3	Confident	45 Å²	45	60.1 Å²	60.1	21%	0.21	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-43.9	176.6	-168.1	-173.4	-168.5	0	0	111.2	S330 R336 L337 R338	S330-E334 PolarHBondContact O-N 3.03Å; E334-R336 VanDerWaalsContact C-N 3.34Å; E334-R336 PolarHBondContact O-N 3.31Å; E334-L337 PolarHBondContact O-N 3.32Å; E334-R338 WeakPolarHBondContact O-CG 3.33Å; E334-R338 PolarHBondContact O-N 3.48Å; E334-R338 IonicContact OE1-CZ 2.8Å; E334-R338 VanDerWaalsContact OE1-CZ 3.27Å; E334-R338 IonicContact OE1-NE 3.15Å; E334-R338 PolarHBondContact OE1-NE 3.33Å; E334-R338 IonicContact OE1-NH2 2.96Å; E334-R338 PolarHBondContact OE1-NH2 2.91Å; E334-R338 IonicContact OE2-NH2 3.96Å
335	A	90.9	Very high	89.4	Confident	36 Å²	36	64.4 Å²	64.4	30%	0.298	32%	0.317	S	S	.	.	H	α-helix	trans	-62.5	-37.3	175.1	0	0	0	0	0	112.8	P331 R333 R339	P331-A335 WeakPolarHBondContact O-CB 3.45Å; P331-A335 PolarHBondContact O-N 3.18Å; R333-A335 PolarHBondContact O-N 2.87Å; A335-R339 WeakPolarHBondContact O-CG 3.42Å; A335-R339 PolarHBondContact O-N 3.38Å; A335-R339 VanDerWaalsContact O-N 3.13Å; A335-R339 PolarHBondContact O-NH1 3.16Å
336	R	91.6	Very high	89.4	Confident	5 Å²	5	64.1 Å²	64.1	2%	0.019	32%	0.321	C	S	.	.	H	α-helix	trans	-63.2	-48.6	174.1	-172.7	-173.7	82	-176.8	12.4	111.5	W20 E24 F141 H332 R333 E334 R339 R340	W20-R336 VanDerWaalsContact NE1-NH2 3.15Å; E24-R336 IonicContact OE1-CZ 2.82Å; E24-R336 VanDerWaalsContact OE1-CZ 3.26Å; E24-R336 IonicContact OE1-NH1 2.84Å; E24-R336 PolarHBondContact OE1-NH1 3.42Å; E24-R336 IonicContact OE1-NH2 3.24Å; E24-R336 PolarHBondContact OE1-NH2 3.3Å; E24-R336 IonicContact OE2-CZ 3.15Å; E24-R336 IonicContact OE2-NH1 2.69Å; E24-R336 PolarHBondContact OE2-NH1 3.14Å; F141-R336 WeakPolarHBondContact O-CD 3.49Å; F141-R336 PolarHBondContact O-NH1 3.46Å; H332-R336 WeakPolarHBondContact O-CB 3.3Å; H332-R336 PolarHBondContact O-N 2.71Å; R333-R336 WeakPolarHBondContact O-CB 3.4Å; R333-R336 PolarHBondContact O-N 2.8Å; E334-R336 VanDerWaalsContact C-N 3.34Å; E334-R336 PolarHBondContact O-N 3.31Å; R336-R339 PolarHBondContact O-N 2.88Å; R336-R340 PolarHBondContact O-N 3.3Å; R336-R340 VanDerWaalsContact O-N 3.08Å
337	L	89.8	Confident	89.4	Confident	51 Å²	51	64 Å²	64	27%	0.267	32%	0.318	S	S	.	.	H	α-helix	trans	-59.8	-50.5	179.3	-70.1	171.1	0	0	0	111	L329 R333 E334 R339 R340 E341	L329-L337 HydrophobicContact CD1-CD1 3.6Å; R333-L337 WeakPolarHBondContact O-CG 3.16Å; R333-L337 PolarHBondContact O-N 2.94Å; E334-L337 PolarHBondContact O-N 3.32Å; L337-R339 VanDerWaalsContact C-N 3.3Å; L337-R339 PolarHBondContact O-N 2.86Å; L337-R340 PolarHBondContact O-N 3.22Å; L337-E341 WeakPolarHBondContact O-CG 3.21Å; L337-E341 PolarHBondContact O-N 2.84Å
338	R	91.9	Very high	89.8	Confident	146 Å²	146	66.4 Å²	66.4	55%	0.551	32%	0.316	S	S	*	.	H	α-helix	trans	-57.7	-37.2	177.4	-70.2	176.6	-178.8	-163	3.2	113.3	E334 L342	E334-R338 WeakPolarHBondContact O-CG 3.33Å; E334-R338 PolarHBondContact O-N 3.48Å; E334-R338 IonicContact OE1-CZ 2.8Å; E334-R338 VanDerWaalsContact OE1-CZ 3.27Å; E334-R338 IonicContact OE1-NE 3.15Å; E334-R338 PolarHBondContact OE1-NE 3.33Å; E334-R338 IonicContact OE1-NH2 2.96Å; E334-R338 PolarHBondContact OE1-NH2 2.91Å; E334-R338 IonicContact OE2-NH2 3.96Å; R338-L342 VanDerWaalsContact O-CB 3.29Å; R338-L342 WeakPolarHBondContact O-CB 3.35Å; R338-L342 PolarHBondContact O-N 2.8Å
339	R	93.9	Very high	90.3	Very high	50 Å²	50	67.1 Å²	67.1	19%	0.189	32%	0.32	C	S	.	.	H	α-helix	trans	-65.5	-43	173.8	-75.1	-167.8	-52.2	-90.1	11.2	111.9	E155 Y158 A335 R336 L337 L342 R343	E155-R339 VanDerWaalsContact CD-NE 3.33Å; E155-R339 WeakPolarHBondContact OE1-CB 3.48Å; E155-R339 IonicContact OE1-CZ 2.82Å; E155-R339 IonicContact OE1-NE 2.77Å; E155-R339 PolarHBondContact OE1-NE 2.93Å; E155-R339 IonicContact OE1-NH2 2.74Å; E155-R339 IonicContact OE2-CZ 3.5Å; E155-R339 VanDerWaalsContact OE2-CZ 3.27Å; E155-R339 IonicContact OE2-NE 3.84Å; E155-R339 PolarHBondContact OE2-NE 3.36Å; E155-R339 IonicContact OE2-NH2 3.36Å; E155-R339 PolarHBondContact OE2-NH2 2.79Å; Y158-R339 VanDerWaalsContact CD1-NH2 3.3Å; Y158-R339 VanDerWaalsContact CE1-NH2 3.28Å; A335-R339 WeakPolarHBondContact O-CG 3.42Å; A335-R339 PolarHBondContact O-N 3.38Å; A335-R339 VanDerWaalsContact O-N 3.13Å; A335-R339 PolarHBondContact O-NH1 3.16Å; R336-R339 PolarHBondContact O-N 2.88Å; L337-R339 VanDerWaalsContact C-N 3.3Å; L337-R339 PolarHBondContact O-N 2.86Å; R339-L342 PolarHBondContact O-N 3.19Å; R339-R343 WeakPolarHBondContact O-CG 3.4Å; R339-R343 PolarHBondContact O-N 2.91Å; R339-R343 PolarHBondContact O-NH1 2.89Å
340	R	91.4	Very high	90.8	Very high	22 Å²	22	71 Å²	71	8%	0.083	34%	0.337	C	S	.	.	H	α-helix	trans	-66.7	-45.2	177.8	-178.3	-175.7	-76.6	161.6	-12.4	112	S143 E144 D145 R336 L337 L342 R343 Q344	S143-R340 PolarHBondContact O-NH2 2.91Å; E144-R340 IonicContact OE2-CZ 2.76Å; E144-R340 IonicContact OE2-NE 3.41Å; E144-R340 PolarHBondContact OE2-NE 2.78Å; E144-R340 IonicContact OE2-NH2 3.98Å; E144-R340 PolarHBondContact OE2-NH2 2.68Å; D145-R340 VanDerWaalsContact CG-NH2 3.28Å; D145-R340 IonicContact OD1-CZ 3.72Å; D145-R340 IonicContact OD1-NH1 2.57Å; D145-R340 PolarHBondContact OD1-NH1 3.01Å; D145-R340 IonicContact OD1-NH2 2.77Å; D145-R340 PolarHBondContact OD1-NH2 3.4Å; D145-R340 IonicContact OD2-CZ 3.2Å; D145-R340 IonicContact OD2-NH1 2.69Å; D145-R340 PolarHBondContact OD2-NH1 3.3Å; D145-R340 IonicContact OD2-NH2 3.87Å; D145-R340 PolarHBondContact OD2-NH2 3.41Å; R336-R340 PolarHBondContact O-N 3.3Å; R336-R340 VanDerWaalsContact O-N 3.08Å; L337-R340 PolarHBondContact O-N 3.22Å; R340-L342 VanDerWaalsContact C-N 3.32Å; R340-L342 PolarHBondContact O-N 2.96Å; R340-R343 PolarHBondContact O-N 3.45Å; R340-Q344 WeakPolarHBondContact O-CG 3.29Å; R340-Q344 PolarHBondContact O-N 2.91Å
341	E	91.9	Very high	91.3	Very high	116 Å²	116	76.6 Å²	76.6	54%	0.542	36%	0.362	S	S	.	.	H	α-helix	trans	-57.3	-44.9	174.6	-71.2	168.4	172.8	0	0	111.4	L337 Q344 K345	L337-E341 WeakPolarHBondContact O-CG 3.21Å; L337-E341 PolarHBondContact O-N 2.84Å; E341-Q344 PolarHBondContact O-N 3.5Å; E341-K345 WeakPolarHBondContact O-CB 3.49Å; E341-K345 PolarHBondContact O-N 2.96Å
342	L	93.1	Very high	91.6	Very high	98 Å²	98	80.2 Å²	80.2	51%	0.513	38%	0.375	S	S	.	.	H	α-helix	trans	-61.9	-45	176.7	-178.3	60.8	0	0	0	111.9	R338 R339 R340 K345 Q346	R338-L342 VanDerWaalsContact O-CB 3.29Å; R338-L342 WeakPolarHBondContact O-CB 3.35Å; R338-L342 PolarHBondContact O-N 2.8Å; R339-L342 PolarHBondContact O-N 3.19Å; R340-L342 VanDerWaalsContact C-N 3.32Å; R340-L342 PolarHBondContact O-N 2.96Å; L342-K345 PolarHBondContact O-N 3.12Å; L342-Q346 HydrophobicContact CD1-CG 4.45Å; L342-Q346 WeakPolarHBondContact O-CB 3.23Å; L342-Q346 VanDerWaalsContact O-CG 3.27Å; L342-Q346 WeakPolarHBondContact O-CG 3.36Å; L342-Q346 PolarHBondContact O-N 3.04Å
343	R	92.3	Very high	91.9	Very high	25 Å²	25	83.9 Å²	83.9	9%	0.094	40%	0.395	C	S	.	.	H	α-helix	trans	-60.5	-46.6	174.5	-74.5	-165.9	-60.3	-83.6	13.3	112.2	E144 E155 R339 R340 K345 Q346 Q347	E144-R343 IonicContact OE1-CZ 3.86Å; E144-R343 IonicContact OE1-NE 2.76Å; E144-R343 IonicContact OE1-NH2 3.1Å; E144-R343 PolarHBondContact OE1-NH2 3.43Å; E155-R343 IonicContact OE1-CZ 2.74Å; E155-R343 IonicContact OE1-NH1 2.64Å; E155-R343 PolarHBondContact OE1-NH1 2.81Å; E155-R343 IonicContact OE1-NH2 3.17Å; E155-R343 PolarHBondContact OE1-NH2 3.42Å; R339-R343 WeakPolarHBondContact O-CG 3.4Å; R339-R343 PolarHBondContact O-N 2.91Å; R339-R343 PolarHBondContact O-NH1 2.89Å; R340-R343 PolarHBondContact O-N 3.45Å; R343-K345 VanDerWaalsContact C-N 3.33Å; R343-K345 PolarHBondContact O-N 2.93Å; R343-Q346 PolarHBondContact O-N 3.01Å; R343-Q347 WeakPolarHBondContact O-CG 3.47Å; R343-Q347 PolarHBondContact O-N 2.94Å
344	Q	90.3	Very high	92.3	Very high	105 Å²	105	85.3 Å²	85.3	49%	0.491	41%	0.41	S	S	.	.	H	α-helix	trans	-61.9	-42.2	179.2	-72.9	177.4	5.6	0	0	111.4	R340 E341 Q347 L348	R340-Q344 WeakPolarHBondContact O-CG 3.29Å; R340-Q344 PolarHBondContact O-N 2.91Å; E341-Q344 PolarHBondContact O-N 3.5Å; Q344-Q347 PolarHBondContact O-N 3.28Å; Q344-L348 WeakPolarHBondContact O-CG 3.42Å; Q344-L348 PolarHBondContact O-N 3.4Å
345	K	93	Very high	92.7	Very high	127 Å²	127	88.8 Å²	88.8	55%	0.552	43%	0.427	S	S	*	.	H	α-helix	trans	-61.8	-47.8	174	-176.6	179.1	175.6	-176.5	0	111.9	E341 L342 R343 Q347 L348 D349	E341-K345 WeakPolarHBondContact O-CB 3.49Å; E341-K345 PolarHBondContact O-N 2.96Å; L342-K345 PolarHBondContact O-N 3.12Å; R343-K345 VanDerWaalsContact C-N 3.33Å; R343-K345 PolarHBondContact O-N 2.93Å; K345-Q347 VanDerWaalsContact C-N 3.3Å; K345-Q347 PolarHBondContact O-N 3.45Å; K345-L348 PolarHBondContact O-N 3.37Å; K345-L348 VanDerWaalsContact O-N 3.14Å; K345-D349 WeakPolarHBondContact CE-OD2 3.48Å; K345-D349 WeakPolarHBondContact O-CB 3.33Å; K345-D349 PolarHBondContact O-N 3.33Å
346	Q	92	Very high	92.9	Very high	108 Å²	108	94.5 Å²	94.5	51%	0.505	44%	0.441	S	S	.	.	H	α-helix	trans	-57.7	-42.1	177.6	-74.8	167.9	-26.7	0	0	112	L342 R343 D349 E350	L342-Q346 HydrophobicContact CD1-CG 4.45Å; L342-Q346 WeakPolarHBondContact O-CB 3.23Å; L342-Q346 VanDerWaalsContact O-CG 3.27Å; L342-Q346 WeakPolarHBondContact O-CG 3.36Å; L342-Q346 PolarHBondContact O-N 3.04Å; R343-Q346 PolarHBondContact O-N 3.01Å; Q346-D349 PolarHBondContact O-N 2.84Å; Q346-E350 VanDerWaalsContact O-CB 3.3Å; Q346-E350 WeakPolarHBondContact O-CB 3.26Å; Q346-E350 PolarHBondContact O-N 3.29Å
347	Q	89.6	Confident	93.1	Very high	106 Å²	106	100 Å²	100	50%	0.495	47%	0.468	S	S	.	.	H	α-helix	trans	-65.4	-37.7	176.1	-72.3	174.3	-3.8	0	0	112.8	R343 Q344 K345 Q351	R343-Q347 WeakPolarHBondContact O-CG 3.47Å; R343-Q347 PolarHBondContact O-N 2.94Å; Q344-Q347 PolarHBondContact O-N 3.28Å; K345-Q347 VanDerWaalsContact C-N 3.3Å; K345-Q347 PolarHBondContact O-N 3.45Å; Q347-Q351 WeakPolarHBondContact O-CB 3.4Å; Q347-Q351 WeakPolarHBondContact O-CG 3.27Å; Q347-Q351 PolarHBondContact O-N 3.45Å
348	L	93.3	Very high	93.5	Very high	110 Å²	110	104.7 Å²	104.7	58%	0.576	49%	0.486	S	S	*	.	H	α-helix	trans	-68.9	-43	174.7	-70.6	168.2	0	0	0	111.8	Q344 K345 E350 Q351 H352	Q344-L348 WeakPolarHBondContact O-CG 3.42Å; Q344-L348 PolarHBondContact O-N 3.4Å; K345-L348 PolarHBondContact O-N 3.37Å; K345-L348 VanDerWaalsContact O-N 3.14Å; L348-E350 VanDerWaalsContact C-N 3.34Å; L348-E350 PolarHBondContact O-N 2.94Å; L348-Q351 PolarHBondContact O-N 2.86Å; L348-H352 VanDerWaalsContact O-CB 3.31Å; L348-H352 WeakPolarHBondContact O-CB 3.38Å; L348-H352 PolarHBondContact O-N 2.92Å
349	D	93.8	Very high	93.7	Very high	88 Å²	88	102.2 Å²	102.2	47%	0.471	48%	0.484	S	S	.	.	H	α-helix	trans	-62.3	-40.6	176	-73.1	-30.1	0	0	0	110.9	K345 Q346 L353	K345-D349 WeakPolarHBondContact CE-OD2 3.48Å; K345-D349 WeakPolarHBondContact O-CB 3.33Å; K345-D349 PolarHBondContact O-N 3.33Å; Q346-D349 PolarHBondContact O-N 2.84Å; D349-L353 VanDerWaalsContact O-CB 3.29Å; D349-L353 WeakPolarHBondContact O-CB 3.27Å; D349-L353 PolarHBondContact O-N 2.87Å
350	E	92.1	Very high	93.8	Very high	128 Å²	128	104.5 Å²	104.5	60%	0.598	50%	0.499	S	S	*	.	H	α-helix	trans	-68.6	-42.8	175.7	-177.9	177	-148.2	0	0	112.9	Q346 L348 L353 T354	Q346-E350 VanDerWaalsContact O-CB 3.3Å; Q346-E350 WeakPolarHBondContact O-CB 3.26Å; Q346-E350 PolarHBondContact O-N 3.29Å; L348-E350 VanDerWaalsContact C-N 3.34Å; L348-E350 PolarHBondContact O-N 2.94Å; E350-L353 PolarHBondContact O-N 3.04Å; E350-T354 WeakPolarHBondContact O-CB 3.35Å; E350-T354 PolarHBondContact O-N 3.42Å; E350-T354 PolarHBondContact O-OG1 3.16Å
351	Q	93.1	Very high	94	Very high	123 Å²	123	109.1 Å²	109.1	58%	0.575	52%	0.522	S	S	*	.	H	α-helix	trans	-62.2	-47	175.3	-76.9	168.8	26	0	0	111.1	Q347 L348 L353 T354 E355	Q347-Q351 WeakPolarHBondContact O-CB 3.4Å; Q347-Q351 WeakPolarHBondContact O-CG 3.27Å; Q347-Q351 PolarHBondContact O-N 3.45Å; L348-Q351 PolarHBondContact O-N 2.86Å; Q351-L353 VanDerWaalsContact C-N 3.35Å; Q351-L353 PolarHBondContact O-N 3.24Å; Q351-T354 PolarHBondContact O-N 3.31Å; Q351-E355 WeakPolarHBondContact O-CB 3.48Å; Q351-E355 PolarHBondContact O-N 3.48Å
352	H	95.2	Very high	94.2	Very high	118 Å²	118	106 Å²	106	55%	0.546	52%	0.516	S	S	.	.	H	α-helix	trans	-64	-38	176.7	173.1	-118.3	0	0	0	112.1	L348 R356	L348-H352 VanDerWaalsContact O-CB 3.31Å; L348-H352 WeakPolarHBondContact O-CB 3.38Å; L348-H352 PolarHBondContact O-N 2.92Å; H352-R356 WeakPolarHBondContact O-CB 3.48Å; H352-R356 PolarHBondContact O-N 3.13Å
353	L	95.9	Very high	94.3	Very high	98 Å²	98	104.1 Å²	104.1	51%	0.513	52%	0.515	S	S	.	.	H	α-helix	trans	-63.9	-44.1	172.2	-178.8	61.4	0	0	0	111.7	D349 E350 Q351 R356 M357	D349-L353 VanDerWaalsContact O-CB 3.29Å; D349-L353 WeakPolarHBondContact O-CB 3.27Å; D349-L353 PolarHBondContact O-N 2.87Å; E350-L353 PolarHBondContact O-N 3.04Å; Q351-L353 VanDerWaalsContact C-N 3.35Å; Q351-L353 PolarHBondContact O-N 3.24Å; L353-R356 PolarHBondContact O-N 3.31Å; L353-M357 HydrophobicContact CD1-CG 4.48Å; L353-M357 HydrophobicContact CG-SD 4.3Å; L353-M357 WeakPolarHBondContact O-CB 3.23Å; L353-M357 WeakPolarHBondContact O-CG 3.43Å; L353-M357 PolarHBondContact O-N 3.04Å
354	T	95.4	Very high	94.5	Very high	86 Å²	86	107.7 Å²	107.7	53%	0.528	54%	0.535	S	S	.	.	H	α-helix	trans	-64.8	-44	179.2	-58.8	0	0	0	0	111.7	E350 Q351 M357 K358	E350-T354 WeakPolarHBondContact O-CB 3.35Å; E350-T354 PolarHBondContact O-N 3.42Å; E350-T354 PolarHBondContact O-OG1 3.16Å; Q351-T354 PolarHBondContact O-N 3.31Å; T354-M357 PolarHBondContact O-N 3.37Å; T354-K358 WeakPolarHBondContact O-CB 3.25Å; T354-K358 PolarHBondContact O-N 3.44Å
355	E	95.6	Very high	94.8	Very high	119 Å²	119	105.7 Å²	105.7	56%	0.556	53%	0.526	S	S	*	.	H	α-helix	trans	-62.7	-43.4	173.8	179.9	169.7	-140.4	0	0	111.6	Q351 M357 K358 N359	Q351-E355 WeakPolarHBondContact O-CB 3.48Å; Q351-E355 PolarHBondContact O-N 3.48Å; E355-M357 PolarHBondContact O-N 2.9Å; E355-K358 PolarHBondContact O-N 2.76Å; E355-N359 WeakPolarHBondContact O-CB 3.35Å; E355-N359 VanDerWaalsContact O-CG 3.25Å; E355-N359 PolarHBondContact O-N 3.11Å; E355-N359 PolarHBondContact O-ND2 3.08Å
356	R	96.8	Very high	94.9	Very high	156 Å²	156	101.7 Å²	101.7	59%	0.589	52%	0.517	S	S	*	.	H	α-helix	trans	-61.1	-41.8	174.9	-175.8	175.8	-179.7	174.2	0.8	112.2	H352 L353 N359 L360	H352-R356 WeakPolarHBondContact O-CB 3.48Å; H352-R356 PolarHBondContact O-N 3.13Å; L353-R356 PolarHBondContact O-N 3.31Å; R356-N359 PolarHBondContact O-N 3.27Å; R356-L360 HydrophobicContact CG-CD1 4.18Å; R356-L360 WeakPolarHBondContact O-CB 3.15Å; R356-L360 VanDerWaalsContact O-CG 3.27Å; R356-L360 WeakPolarHBondContact O-CG 3.5Å; R356-L360 PolarHBondContact O-N 2.98Å
357	M	95.9	Very high	95.1	Very high	119 Å²	119	102.7 Å²	102.7	59%	0.586	52%	0.52	S	S	*	.	H	α-helix	trans	-63.7	-45.2	175.1	-76	179.2	65.7	0	0	111.6	L353 T354 E355 N359 L360 Q361	L353-M357 HydrophobicContact CD1-CG 4.48Å; L353-M357 HydrophobicContact CG-SD 4.3Å; L353-M357 WeakPolarHBondContact O-CB 3.23Å; L353-M357 WeakPolarHBondContact O-CG 3.43Å; L353-M357 PolarHBondContact O-N 3.04Å; T354-M357 PolarHBondContact O-N 3.37Å; E355-M357 PolarHBondContact O-N 2.9Å; M357-N359 VanDerWaalsContact C-N 3.35Å; M357-N359 PolarHBondContact O-N 2.86Å; M357-L360 PolarHBondContact O-N 3.45Å; M357-Q361 WeakPolarHBondContact O-CB 3.45Å; M357-Q361 PolarHBondContact O-N 2.88Å
358	K	96.6	Very high	95.3	Very high	150 Å²	150	103.4 Å²	103.4	65%	0.652	52%	0.523	S	S	*	.	H	α-helix	trans	-59.1	-43.7	175.2	-176.8	-177	178.2	-174.5	0	112.1	T354 E355 Q361 A362	T354-K358 WeakPolarHBondContact O-CB 3.25Å; T354-K358 PolarHBondContact O-N 3.44Å; E355-K358 PolarHBondContact O-N 2.76Å; K358-Q361 PolarHBondContact O-N 3.26Å; K358-A362 WeakPolarHBondContact O-CB 3.37Å; K358-A362 PolarHBondContact O-N 2.86Å
359	N	96	Very high	95.4	Very high	94 Å²	94	104.9 Å²	104.9	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-67.9	-39	178.1	-71.2	-23.1	0	0	0	112.1	E355 R356 M357 A363	E355-N359 WeakPolarHBondContact O-CB 3.35Å; E355-N359 VanDerWaalsContact O-CG 3.25Å; E355-N359 PolarHBondContact O-N 3.11Å; E355-N359 PolarHBondContact O-ND2 3.08Å; R356-N359 PolarHBondContact O-N 3.27Å; M357-N359 VanDerWaalsContact C-N 3.35Å; M357-N359 PolarHBondContact O-N 2.86Å; N359-A363 WeakPolarHBondContact O-CB 3.32Å; N359-A363 PolarHBondContact O-N 3.28Å
360	L	95.9	Very high	95.5	Very high	99 Å²	99	107.4 Å²	107.4	52%	0.518	53%	0.53	S	S	.	.	H	α-helix	trans	-65.9	-39.6	172.8	-73.7	169.8	0	0	0	112.3	R356 M357 A363 N364	R356-L360 HydrophobicContact CG-CD1 4.18Å; R356-L360 WeakPolarHBondContact O-CB 3.15Å; R356-L360 VanDerWaalsContact O-CG 3.27Å; R356-L360 WeakPolarHBondContact O-CG 3.5Å; R356-L360 PolarHBondContact O-N 2.98Å; M357-L360 PolarHBondContact O-N 3.45Å; L360-A363 PolarHBondContact O-N 2.97Å; L360-N364 WeakPolarHBondContact O-CB 3.47Å; L360-N364 VanDerWaalsContact O-CG 3.3Å; L360-N364 PolarHBondContact O-N 3.08Å; L360-N364 PolarHBondContact O-ND2 3.24Å
361	Q	95.3	Very high	95.6	Very high	118 Å²	118	105.7 Å²	105.7	55%	0.551	52%	0.524	S	S	*	.	H	α-helix	trans	-62.8	-50	174.5	-176.6	-177.1	-31.4	0	0	110.9	M357 K358 A363 N364 E365	M357-Q361 WeakPolarHBondContact O-CB 3.45Å; M357-Q361 PolarHBondContact O-N 2.88Å; K358-Q361 PolarHBondContact O-N 3.26Å; Q361-A363 VanDerWaalsContact C-N 3.28Å; Q361-A363 PolarHBondContact O-N 2.87Å; Q361-N364 PolarHBondContact O-N 2.96Å; Q361-N364 VanDerWaalsContact O-N 3.08Å; Q361-E365 HydrophobicContact CG-CG 4.48Å; Q361-E365 WeakPolarHBondContact CG-OE1 3.45Å; Q361-E365 PolarHBondContact NE2-OE1 2.99Å; Q361-E365 PolarHBondContact O-N 3.32Å
362	A	96.2	Very high	95.6	Very high	52 Å²	52	106.1 Å²	106.1	43%	0.43	53%	0.526	S	S	.	.	H	α-helix	trans	-59.4	-38.4	178.3	0	0	0	0	0	112.5	K358 A366	K358-A362 WeakPolarHBondContact O-CB 3.37Å; K358-A362 PolarHBondContact O-N 2.86Å; A362-A366 WeakPolarHBondContact O-CB 3.36Å; A362-A366 PolarHBondContact O-N 3.46Å
363	A	96.4	Very high	95.7	Very high	58 Å²	58	104.5 Å²	104.5	48%	0.479	52%	0.522	S	S	.	.	H	α-helix	trans	-66.4	-39.6	174.1	0	0	0	0	0	112.7	N359 L360 Q361 K367	N359-A363 WeakPolarHBondContact O-CB 3.32Å; N359-A363 PolarHBondContact O-N 3.28Å; L360-A363 PolarHBondContact O-N 2.97Å; Q361-A363 VanDerWaalsContact C-N 3.28Å; Q361-A363 PolarHBondContact O-N 2.87Å; A363-K367 WeakPolarHBondContact O-CB 3.34Å; A363-K367 PolarHBondContact O-N 3.34Å
364	N	95.8	Very high	95.6	Very high	99 Å²	99	105.1 Å²	105.1	53%	0.529	52%	0.523	S	S	.	.	H	α-helix	trans	-66.7	-44.6	175.5	-75.9	-25.1	0	0	0	111.9	L360 Q361 K367 Q368	L360-N364 WeakPolarHBondContact O-CB 3.47Å; L360-N364 VanDerWaalsContact O-CG 3.3Å; L360-N364 PolarHBondContact O-N 3.08Å; L360-N364 PolarHBondContact O-ND2 3.24Å; Q361-N364 PolarHBondContact O-N 2.96Å; Q361-N364 VanDerWaalsContact O-N 3.08Å; N364-K367 PolarHBondContact O-N 2.85Å; N364-Q368 WeakPolarHBondContact O-CG 3.34Å; N364-Q368 PolarHBondContact O-N 2.69Å
365	E	96.6	Very high	95.6	Very high	63 Å²	63	108.8 Å²	108.8	29%	0.294	53%	0.527	S	S	.	.	H	α-helix	trans	-60.9	-44.1	174.8	-73.4	179.5	-151	0	0	111.9	Q361 K367 Q368 R369	Q361-E365 HydrophobicContact CG-CG 4.48Å; Q361-E365 WeakPolarHBondContact CG-OE1 3.45Å; Q361-E365 PolarHBondContact NE2-OE1 2.99Å; Q361-E365 PolarHBondContact O-N 3.32Å; E365-K367 VanDerWaalsContact C-N 3.31Å; E365-K367 PolarHBondContact O-N 2.78Å; E365-Q368 PolarHBondContact O-N 2.77Å; E365-R369 WeakPolarHBondContact O-CG 3.29Å; E365-R369 PolarHBondContact O-N 3.08Å; E365-R369 IonicContact OE2-CZ 3.18Å; E365-R369 IonicContact OE2-NH1 3.01Å; E365-R369 IonicContact OE2-NH2 2.72Å; E365-R369 PolarHBondContact OE2-NH2 3.3Å
366	A	96.1	Very high	95.6	Very high	43 Å²	43	107.8 Å²	107.8	36%	0.355	53%	0.525	S	S	.	.	H	α-helix	trans	-61.7	-40.2	175.8	0	0	0	0	0	111.7	A362 R369 Q370	A362-A366 WeakPolarHBondContact O-CB 3.36Å; A362-A366 PolarHBondContact O-N 3.46Å; A366-R369 PolarHBondContact O-N 3.01Å; A366-Q370 WeakPolarHBondContact O-CG 3.49Å; A366-Q370 PolarHBondContact O-N 3.01Å
367	K	96.1	Very high	95.5	Very high	130 Å²	130	106.1 Å²	106.1	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-68.1	-36.9	176	-172.2	176.5	-179.6	-179.4	0	112.6	A363 N364 E365 Q370 L371	A363-K367 WeakPolarHBondContact O-CB 3.34Å; A363-K367 PolarHBondContact O-N 3.34Å; N364-K367 PolarHBondContact O-N 2.85Å; E365-K367 VanDerWaalsContact C-N 3.31Å; E365-K367 PolarHBondContact O-N 2.78Å; K367-Q370 PolarHBondContact O-N 2.86Å; K367-L371 WeakPolarHBondContact O-CG 3.34Å; K367-L371 PolarHBondContact O-N 2.98Å; K367-L371 VanDerWaalsContact O-N 3.08Å
368	Q	93.3	Very high	95.3	Very high	121 Å²	121	106.6 Å²	106.6	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-62.5	-50.2	172.7	-77	174.6	-40.5	0	0	110.9	N364 E365 Q370 L371 E372	N364-Q368 WeakPolarHBondContact O-CG 3.34Å; N364-Q368 PolarHBondContact O-N 2.69Å; E365-Q368 PolarHBondContact O-N 2.77Å; Q368-Q370 VanDerWaalsContact C-N 3.29Å; Q368-Q370 PolarHBondContact O-N 3.34Å; Q368-L371 WeakPolarHBondContact O-CB 3.38Å; Q368-L371 PolarHBondContact O-N 2.95Å; Q368-E372 WeakPolarHBondContact O-CG 3.5Å; Q368-E372 PolarHBondContact O-N 3.46Å
369	R	95.4	Very high	95.2	Very high	141 Å²	141	104.2 Å²	104.2	53%	0.532	52%	0.516	S	S	.	.	H	α-helix	trans	-56.2	-41.9	175.6	-67.6	171.9	-165.4	130.6	14.6	111.9	E365 A366 L371 E372 D373	E365-R369 WeakPolarHBondContact O-CG 3.29Å; E365-R369 PolarHBondContact O-N 3.08Å; E365-R369 IonicContact OE2-CZ 3.18Å; E365-R369 IonicContact OE2-NH1 3.01Å; E365-R369 IonicContact OE2-NH2 2.72Å; E365-R369 PolarHBondContact OE2-NH2 3.3Å; A366-R369 PolarHBondContact O-N 3.01Å; R369-L371 PolarHBondContact O-N 3.29Å; R369-E372 PolarHBondContact O-N 2.98Å; R369-D373 WeakPolarHBondContact O-CB 3.2Å; R369-D373 PolarHBondContact O-N 3.44Å
370	Q	95.4	Very high	95.1	Very high	141 Å²	141	103.8 Å²	103.8	66%	0.659	51%	0.511	S	S	*	.	H	α-helix	trans	-62.6	-37.2	175.1	-76.3	177.7	-5.5	0	0	113.7	A366 K367 Q368 M374	A366-Q370 WeakPolarHBondContact O-CG 3.49Å; A366-Q370 PolarHBondContact O-N 3.01Å; K367-Q370 PolarHBondContact O-N 2.86Å; Q368-Q370 VanDerWaalsContact C-N 3.29Å; Q368-Q370 PolarHBondContact O-N 3.34Å; Q370-M374 VanDerWaalsContact O-CB 3.29Å; Q370-M374 WeakPolarHBondContact O-CB 3.49Å; Q370-M374 PolarHBondContact O-N 3.48Å
371	L	94.9	Very high	95	Very high	92 Å²	92	101.6 Å²	101.6	48%	0.482	51%	0.507	S	S	.	.	H	α-helix	trans	-71.6	-36.6	176.5	-71	168	0	0	0	111.9	K367 Q368 R369 M374 R375	K367-L371 WeakPolarHBondContact O-CG 3.34Å; K367-L371 PolarHBondContact O-N 2.98Å; K367-L371 VanDerWaalsContact O-N 3.08Å; Q368-L371 WeakPolarHBondContact O-CB 3.38Å; Q368-L371 PolarHBondContact O-N 2.95Å; R369-L371 PolarHBondContact O-N 3.29Å; L371-M374 HydrophobicContact CD2-CE 4.06Å; L371-R375 VanDerWaalsContact O-CB 3.31Å; L371-R375 WeakPolarHBondContact O-CB 3.44Å; L371-R375 PolarHBondContact O-N 3.39Å
372	E	93.6	Very high	94.8	Very high	131 Å²	131	102.2 Å²	102.2	61%	0.612	51%	0.508	S	S	*	.	H	α-helix	trans	-66.9	-46.6	173.5	-69.2	173	161.4	0	0	111.3	Q368 R369 M374 R375 L376	Q368-E372 WeakPolarHBondContact O-CG 3.5Å; Q368-E372 PolarHBondContact O-N 3.46Å; R369-E372 PolarHBondContact O-N 2.98Å; E372-M374 VanDerWaalsContact C-N 3.32Å; E372-M374 PolarHBondContact O-N 3.45Å; E372-R375 PolarHBondContact O-N 3.4Å; E372-L376 WeakPolarHBondContact O-CB 3.28Å; E372-L376 PolarHBondContact O-N 2.86Å
373	D	96.1	Very high	94.7	Very high	85 Å²	85	102.3 Å²	102.3	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-55.5	-45.4	172.5	-113.5	39.8	0	0	0	111.9	R369 K377	R369-D373 WeakPolarHBondContact O-CB 3.2Å; R369-D373 PolarHBondContact O-N 3.44Å; D373-K377 WeakPolarHBondContact O-CB 3.48Å; D373-K377 VanDerWaalsContact O-CD 3.28Å; D373-K377 WeakPolarHBondContact O-CD 3.38Å; D373-K377 WeakPolarHBondContact O-CG 3.31Å; D373-K377 PolarHBondContact O-N 3.18Å; D373-K377 IonicContact OD2-NZ 2.61Å; D373-K377 PolarHBondContact OD2-NZ 3.04Å
374	M	94.1	Very high	94.6	Very high	111 Å²	111	105.5 Å²	105.5	55%	0.547	51%	0.512	S	S	.	.	H	α-helix	trans	-65.6	-43.3	177.8	-175	-174.3	73.2	0	0	110.8	Q370 L371 E372 K377 M378	Q370-M374 VanDerWaalsContact O-CB 3.29Å; Q370-M374 WeakPolarHBondContact O-CB 3.49Å; Q370-M374 PolarHBondContact O-N 3.48Å; L371-M374 HydrophobicContact CD2-CE 4.06Å; E372-M374 VanDerWaalsContact C-N 3.32Å; E372-M374 PolarHBondContact O-N 3.45Å; M374-K377 PolarHBondContact O-N 2.91Å; M374-M378 VanDerWaalsContact O-CG 3.26Å; M374-M378 WeakPolarHBondContact O-CG 3.38Å; M374-M378 PolarHBondContact O-N 2.57Å
375	R	95.2	Very high	94.4	Very high	163 Å²	163	103.6 Å²	103.6	62%	0.615	51%	0.51	S	S	*	.	H	α-helix	trans	-61.6	-47	176.8	179.7	-179.8	169.2	-168.5	-10.4	111.5	L371 E372 K377 M378 E379	L371-R375 VanDerWaalsContact O-CB 3.31Å; L371-R375 WeakPolarHBondContact O-CB 3.44Å; L371-R375 PolarHBondContact O-N 3.39Å; E372-R375 PolarHBondContact O-N 3.4Å; R375-K377 VanDerWaalsContact C-N 3.34Å; R375-K377 PolarHBondContact O-N 2.84Å; R375-M378 WeakPolarHBondContact O-CB 3.42Å; R375-M378 PolarHBondContact O-N 3.43Å; R375-M378 VanDerWaalsContact O-N 3.15Å; R375-E379 IonicContact CZ-OE1 3.24Å; R375-E379 VanDerWaalsContact CZ-OE1 3.24Å; R375-E379 IonicContact NE-OE1 3.73Å; R375-E379 PolarHBondContact NE-OE1 3.33Å; R375-E379 IonicContact NH2-OE1 2.65Å; R375-E379 PolarHBondContact NH2-OE1 3.47Å; R375-E379 PolarHBondContact O-N 3.46Å
376	L	95.9	Very high	94.2	Very high	97 Å²	97	105.4 Å²	105.4	51%	0.508	52%	0.518	S	S	.	.	H	α-helix	trans	-60.5	-43.9	177.8	-175.7	65.4	0	0	0	111.2	E372 M378 E379 E380	E372-L376 WeakPolarHBondContact O-CB 3.28Å; E372-L376 PolarHBondContact O-N 2.86Å; L376-M378 VanDerWaalsContact C-N 3.31Å; L376-M378 PolarHBondContact O-N 2.98Å; L376-E379 PolarHBondContact O-N 2.92Å; L376-E380 WeakPolarHBondContact O-CB 3.44Å; L376-E380 PolarHBondContact O-N 2.89Å
377	K	95.1	Very high	94.1	Very high	121 Å²	121	107.4 Å²	107.4	53%	0.526	52%	0.523	S	S	.	.	H	α-helix	trans	-62.8	-35.3	175.5	-71.6	161.3	-164.3	159.9	0	112.5	D373 M374 R375 A381	D373-K377 WeakPolarHBondContact O-CB 3.48Å; D373-K377 VanDerWaalsContact O-CD 3.28Å; D373-K377 WeakPolarHBondContact O-CD 3.38Å; D373-K377 WeakPolarHBondContact O-CG 3.31Å; D373-K377 PolarHBondContact O-N 3.18Å; D373-K377 IonicContact OD2-NZ 2.61Å; D373-K377 PolarHBondContact OD2-NZ 3.04Å; M374-K377 PolarHBondContact O-N 2.91Å; R375-K377 VanDerWaalsContact C-N 3.34Å; R375-K377 PolarHBondContact O-N 2.84Å; K377-A381 WeakPolarHBondContact O-CB 3.26Å; K377-A381 PolarHBondContact O-N 3.4Å
378	M	92.5	Very high	93.7	Very high	130 Å²	130	105.6 Å²	105.6	64%	0.64	52%	0.516	S	S	*	.	H	α-helix	trans	-71	-41.5	174.5	-71.8	-68.1	-70.3	0	0	112.5	M374 R375 L376 A381 K382	M374-M378 VanDerWaalsContact O-CG 3.26Å; M374-M378 WeakPolarHBondContact O-CG 3.38Å; M374-M378 PolarHBondContact O-N 2.57Å; R375-M378 WeakPolarHBondContact O-CB 3.42Å; R375-M378 PolarHBondContact O-N 3.43Å; R375-M378 VanDerWaalsContact O-N 3.15Å; L376-M378 VanDerWaalsContact C-N 3.31Å; L376-M378 PolarHBondContact O-N 2.98Å; M378-A381 PolarHBondContact O-N 3.15Å; M378-K382 WeakPolarHBondContact O-CB 3.22Å; M378-K382 PolarHBondContact O-N 2.69Å
379	E	93.6	Very high	93.5	Very high	99 Å²	99	104.6 Å²	104.6	46%	0.463	51%	0.511	S	S	.	.	H	α-helix	trans	-66.1	-42	175.2	-71.5	179.4	-170.6	0	0	111.2	R375 L376 K382 A383	R375-E379 IonicContact CZ-OE1 3.24Å; R375-E379 VanDerWaalsContact CZ-OE1 3.24Å; R375-E379 IonicContact NE-OE1 3.73Å; R375-E379 PolarHBondContact NE-OE1 3.33Å; R375-E379 IonicContact NH2-OE1 2.65Å; R375-E379 PolarHBondContact NH2-OE1 3.47Å; R375-E379 PolarHBondContact O-N 3.46Å; L376-E379 PolarHBondContact O-N 2.92Å; E379-K382 PolarHBondContact O-N 3.41Å; E379-A383 WeakPolarHBondContact O-CB 3.38Å; E379-A383 PolarHBondContact O-N 2.82Å
380	E	93.8	Very high	93.4	Very high	86 Å²	86	103.4 Å²	103.4	40%	0.402	52%	0.515	S	S	.	.	H	α-helix	trans	-60.2	-46.9	170.5	-83.9	-167.3	-148.1	0	0	112.9	L376 K382 A383 K384	L376-E380 WeakPolarHBondContact O-CB 3.44Å; L376-E380 PolarHBondContact O-N 2.89Å; E380-K382 VanDerWaalsContact C-N 3.31Å; E380-K382 PolarHBondContact O-N 2.84Å; E380-A383 PolarHBondContact O-N 3.29Å; E380-K384 WeakPolarHBondContact O-CB 3.45Å; E380-K384 WeakPolarHBondContact O-CD 3.48Å; E380-K384 VanDerWaalsContact O-CG 3.22Å; E380-K384 WeakPolarHBondContact O-CG 3.28Å; E380-K384 PolarHBondContact O-N 2.89Å; E380-K384 IonicContact OE2-NZ 2.77Å; E380-K384 PolarHBondContact OE2-NZ 2.99Å
381	A	92.8	Very high	93.3	Very high	53 Å²	53	104 Å²	104	44%	0.438	51%	0.511	S	S	.	.	H	α-helix	trans	-63	-40.4	-179.3	0	0	0	0	0	111.2	K377 M378 K384 A385	K377-A381 WeakPolarHBondContact O-CB 3.26Å; K377-A381 PolarHBondContact O-N 3.4Å; M378-A381 PolarHBondContact O-N 3.15Å; A381-K384 PolarHBondContact O-N 2.96Å; A381-A385 WeakPolarHBondContact O-CB 3.43Å; A381-A385 PolarHBondContact O-N 2.96Å
382	K	93.1	Very high	93.1	Very high	130 Å²	130	107 Å²	107	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-60.8	-51.9	172.7	179.6	179.6	168	-177.6	0	111.4	M378 E379 E380 K384 A385 E386	M378-K382 WeakPolarHBondContact O-CB 3.22Å; M378-K382 PolarHBondContact O-N 2.69Å; E379-K382 PolarHBondContact O-N 3.41Å; E380-K382 VanDerWaalsContact C-N 3.31Å; E380-K382 PolarHBondContact O-N 2.84Å; K382-K384 VanDerWaalsContact C-N 3.29Å; K382-K384 PolarHBondContact O-N 3.15Å; K382-A385 PolarHBondContact O-N 3.1Å; K382-A385 VanDerWaalsContact O-N 3.1Å; K382-E386 WeakPolarHBondContact CE-OE1 3.49Å; K382-E386 HydrophobicContact CG-CG 4.44Å; K382-E386 IonicContact NZ-OE1 3.16Å; K382-E386 WeakPolarHBondContact O-CG 3.21Å; K382-E386 PolarHBondContact O-N 3.33Å
383	A	93.8	Very high	93	Very high	54 Å²	54	106.7 Å²	106.7	45%	0.446	51%	0.513	S	S	.	.	H	α-helix	trans	-61.5	-36.1	179.6	0	0	0	0	0	112.7	E379 E380 L387	E379-A383 WeakPolarHBondContact O-CB 3.38Å; E379-A383 PolarHBondContact O-N 2.82Å; E380-A383 PolarHBondContact O-N 3.29Å; A383-L387 VanDerWaalsContact O-CB 3.28Å; A383-L387 WeakPolarHBondContact O-CB 3.44Å; A383-L387 PolarHBondContact O-N 3.48Å
384	K	93.4	Very high	92.8	Very high	126 Å²	126	108.7 Å²	108.7	55%	0.548	52%	0.517	S	S	.	.	H	α-helix	trans	-65.3	-42.1	173.5	-73.5	161.5	-176.2	166	0	111.7	E380 A381 K382 E388	E380-K384 WeakPolarHBondContact O-CB 3.45Å; E380-K384 WeakPolarHBondContact O-CD 3.48Å; E380-K384 VanDerWaalsContact O-CG 3.22Å; E380-K384 WeakPolarHBondContact O-CG 3.28Å; E380-K384 PolarHBondContact O-N 2.89Å; E380-K384 IonicContact OE2-NZ 2.77Å; E380-K384 PolarHBondContact OE2-NZ 2.99Å; A381-K384 PolarHBondContact O-N 2.96Å; K382-K384 VanDerWaalsContact C-N 3.29Å; K382-K384 PolarHBondContact O-N 3.15Å; K384-E388 PolarHBondContact O-N 3.46Å
385	A	91.9	Very high	92.6	Very high	59 Å²	59	110.9 Å²	110.9	49%	0.488	52%	0.524	S	S	.	.	H	α-helix	trans	-66.7	-45.1	176.6	0	0	0	0	0	112.4	A381 K382 L387 E388 E389	A381-A385 WeakPolarHBondContact O-CB 3.43Å; A381-A385 PolarHBondContact O-N 2.96Å; K382-A385 PolarHBondContact O-N 3.1Å; K382-A385 VanDerWaalsContact O-N 3.1Å; A385-L387 PolarHBondContact O-N 2.97Å; A385-E388 PolarHBondContact O-N 2.84Å; A385-E388 VanDerWaalsContact O-N 3.15Å; A385-E389 PolarHBondContact O-N 2.83Å
386	E	92.4	Very high	92.2	Very high	100 Å²	100	108.9 Å²	108.9	47%	0.467	52%	0.521	S	S	.	.	H	α-helix	trans	-60.4	-43.1	175.6	-71.6	174.1	164.8	0	0	111.5	K382 E388 E389 L390	K382-E386 WeakPolarHBondContact CE-OE1 3.49Å; K382-E386 HydrophobicContact CG-CG 4.44Å; K382-E386 IonicContact NZ-OE1 3.16Å; K382-E386 WeakPolarHBondContact O-CG 3.21Å; K382-E386 PolarHBondContact O-N 3.33Å; E386-E388 VanDerWaalsContact C-N 3.34Å; E386-E388 PolarHBondContact O-N 2.74Å; E386-E389 PolarHBondContact O-N 3Å; E386-L390 WeakPolarHBondContact O-CB 3.46Å; E386-L390 PolarHBondContact O-N 3.24Å
387	L	93.1	Very high	92	Very high	86 Å²	86	106.8 Å²	106.8	45%	0.45	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-36.7	174.4	-179.5	62.4	0	0	0	112.3	A383 A385 R391	A383-L387 VanDerWaalsContact O-CB 3.28Å; A383-L387 WeakPolarHBondContact O-CB 3.44Å; A383-L387 PolarHBondContact O-N 3.48Å; A385-L387 PolarHBondContact O-N 2.97Å; L387-R391 WeakPolarHBondContact O-CB 3.44Å; L387-R391 WeakPolarHBondContact O-CD 3.5Å; L387-R391 WeakPolarHBondContact O-CG 3.29Å; L387-R391 PolarHBondContact O-N 2.89Å
388	E	89.3	Confident	91.8	Very high	92 Å²	92	104 Å²	104	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-71.1	-40.2	176	-149.1	-154	136.8	0	0	112	K384 A385 E386 L390 R391 R392	K384-E388 PolarHBondContact O-N 3.46Å; A385-E388 PolarHBondContact O-N 2.84Å; A385-E388 VanDerWaalsContact O-N 3.15Å; E386-E388 VanDerWaalsContact C-N 3.34Å; E386-E388 PolarHBondContact O-N 2.74Å; E388-L390 VanDerWaalsContact C-N 3.35Å; E388-L390 PolarHBondContact O-N 3Å; E388-R391 WeakPolarHBondContact O-CB 3.35Å; E388-R391 PolarHBondContact O-N 3.49Å; E388-R392 VanDerWaalsContact CD-NH2 3.31Å; E388-R392 VanDerWaalsContact O-CG 3.29Å; E388-R392 WeakPolarHBondContact O-CG 2.79Å; E388-R392 PolarHBondContact O-N 3.39Å; E388-R392 IonicContact OE1-CZ 2.6Å; E388-R392 IonicContact OE1-NE 2.86Å; E388-R392 PolarHBondContact OE1-NE 2.85Å; E388-R392 IonicContact OE1-NH2 3.98Å; E388-R392 PolarHBondContact OE1-NH2 2.89Å; E388-R392 IonicContact OE2-NH2 2.99Å; E388-R392 PolarHBondContact OE2-NH2 3.17Å
389	E	89.3	Confident	91.7	Very high	99 Å²	99	101.9 Å²	101.9	46%	0.463	50%	0.497	S	S	.	.	H	α-helix	trans	-61.2	-43.9	174.3	-163	-162.7	141.8	0	0	111.2	A385 E386 R391 R392 K393	A385-E389 PolarHBondContact O-N 2.83Å; E386-E389 PolarHBondContact O-N 3Å; E389-R391 VanDerWaalsContact C-N 3.34Å; E389-R391 PolarHBondContact O-N 2.94Å; E389-R392 WeakPolarHBondContact O-CB 3.47Å; E389-R392 PolarHBondContact O-N 2.85Å; E389-K393 HydrophobicContact CG-CD 4.46Å; E389-K393 WeakPolarHBondContact O-CB 3.2Å; E389-K393 WeakPolarHBondContact O-CG 3.4Å; E389-K393 PolarHBondContact O-N 2.6Å; E389-K393 WeakPolarHBondContact OE1-CE 3.47Å; E389-K393 IonicContact OE1-NZ 2.64Å; E389-K393 PolarHBondContact OE1-NZ 3Å
390	L	92.7	Very high	91.4	Very high	116 Å²	116	102.9 Å²	102.9	61%	0.607	50%	0.501	S	S	*	.	H	α-helix	trans	-64.3	-38.3	176.3	-161.1	155.7	0	0	0	111.3	E386 E388 K394	E386-L390 WeakPolarHBondContact O-CB 3.46Å; E386-L390 PolarHBondContact O-N 3.24Å; E388-L390 VanDerWaalsContact C-N 3.35Å; E388-L390 PolarHBondContact O-N 3Å; L390-K394 WeakPolarHBondContact O-CB 3.43Å; L390-K394 PolarHBondContact O-N 3.47Å
391	R	92.4	Very high	91.2	Very high	153 Å²	153	102.4 Å²	102.4	58%	0.577	50%	0.502	S	S	*	.	H	α-helix	trans	-64.6	-39.4	170.9	-75.3	166.6	174.3	-176	-1.2	112.8	L387 E388 E389 K395	L387-R391 WeakPolarHBondContact O-CB 3.44Å; L387-R391 WeakPolarHBondContact O-CD 3.5Å; L387-R391 WeakPolarHBondContact O-CG 3.29Å; L387-R391 PolarHBondContact O-N 2.89Å; E388-R391 WeakPolarHBondContact O-CB 3.35Å; E388-R391 PolarHBondContact O-N 3.49Å; E389-R391 VanDerWaalsContact C-N 3.34Å; E389-R391 PolarHBondContact O-N 2.94Å; R391-K395 WeakPolarHBondContact O-CG 3.45Å; R391-K395 PolarHBondContact O-N 3.47Å
392	R	91.3	Very high	91	Very high	156 Å²	156	107.5 Å²	107.5	59%	0.589	51%	0.509	S	S	*	.	H	α-helix	trans	-65.2	-48.4	175.9	-71.2	170	-174.6	-168.2	5.5	110.6	E388 E389 K394 K395 Q396	E388-R392 VanDerWaalsContact CD-NH2 3.31Å; E388-R392 VanDerWaalsContact O-CG 3.29Å; E388-R392 WeakPolarHBondContact O-CG 2.79Å; E388-R392 PolarHBondContact O-N 3.39Å; E388-R392 IonicContact OE1-CZ 2.6Å; E388-R392 IonicContact OE1-NE 2.86Å; E388-R392 PolarHBondContact OE1-NE 2.85Å; E388-R392 IonicContact OE1-NH2 3.98Å; E388-R392 PolarHBondContact OE1-NH2 2.89Å; E388-R392 IonicContact OE2-NH2 2.99Å; E388-R392 PolarHBondContact OE2-NH2 3.17Å; E389-R392 WeakPolarHBondContact O-CB 3.47Å; E389-R392 PolarHBondContact O-N 2.85Å; R392-K394 PolarHBondContact O-N 3.34Å; R392-K395 PolarHBondContact O-N 3.4Å; R392-Q396 PolarHBondContact O-N 3.04Å
393	K	90.8	Very high	90.7	Very high	124 Å²	124	109 Å²	109	54%	0.539	51%	0.513	S	S	.	.	H	α-helix	trans	-57.2	-46	174	-77.6	170.6	166.1	169.7	0	112.1	E389 Q396 S397	E389-K393 HydrophobicContact CG-CD 4.46Å; E389-K393 WeakPolarHBondContact O-CB 3.2Å; E389-K393 WeakPolarHBondContact O-CG 3.4Å; E389-K393 PolarHBondContact O-N 2.6Å; E389-K393 WeakPolarHBondContact OE1-CE 3.47Å; E389-K393 IonicContact OE1-NZ 2.64Å; E389-K393 PolarHBondContact OE1-NZ 3Å; K393-Q396 WeakPolarHBondContact O-CB 3.32Å; K393-Q396 PolarHBondContact O-N 2.83Å; K393-S397 PolarHBondContact O-N 3.08Å
394	K	92.1	Very high	90.6	Very high	128 Å²	128	113.7 Å²	113.7	56%	0.557	52%	0.519	S	S	*	.	H	α-helix	trans	-60.9	-48.9	175.5	177.6	164.3	-179.3	170	0	112	L390 R392 Q396 S397 D398	L390-K394 WeakPolarHBondContact O-CB 3.43Å; L390-K394 PolarHBondContact O-N 3.47Å; R392-K394 PolarHBondContact O-N 3.34Å; K394-Q396 PolarHBondContact O-N 3.23Å; K394-S397 PolarHBondContact O-N 2.94Å; K394-S397 VanDerWaalsContact O-N 3.08Å; K394-D398 WeakPolarHBondContact CE-OD1 3.47Å; K394-D398 WeakPolarHBondContact CE-OD2 3.46Å; K394-D398 WeakPolarHBondContact CG-OD2 3.43Å; K394-D398 WeakPolarHBondContact O-CB 3.39Å; K394-D398 VanDerWaalsContact O-CG 3.23Å; K394-D398 PolarHBondContact O-N 3.47Å
395	K	89.9	Confident	90.5	Very high	157 Å²	157	112.2 Å²	112.2	68%	0.683	52%	0.516	S	S	*	.	H	α-helix	trans	-56.6	-32.8	176.4	-77.3	-179.2	176.7	-174.2	0	112.9	R391 R392 L399	R391-K395 WeakPolarHBondContact O-CG 3.45Å; R391-K395 PolarHBondContact O-N 3.47Å; R392-K395 PolarHBondContact O-N 3.4Å; K395-L399 WeakPolarHBondContact O-CB 3.14Å; K395-L399 PolarHBondContact O-N 3.04Å
396	Q	87.6	Confident	90.2	Very high	120 Å²	120	112.8 Å²	112.8	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-71.6	-42.1	176.2	-171.9	175.3	-0.5	0	0	112.1	R392 K393 K394 L399 Q400	R392-Q396 PolarHBondContact O-N 3.04Å; K393-Q396 WeakPolarHBondContact O-CB 3.32Å; K393-Q396 PolarHBondContact O-N 2.83Å; K394-Q396 PolarHBondContact O-N 3.23Å; Q396-L399 PolarHBondContact O-N 3.08Å; Q396-Q400 WeakPolarHBondContact O-CG 3.15Å; Q396-Q400 PolarHBondContact O-N 3.28Å; Q396-Q400 VanDerWaalsContact O-N 3.08Å
397	S	90.9	Very high	90	Very high	53 Å²	53	112.2 Å²	112.2	37%	0.371	51%	0.511	S	S	.	.	H	α-helix	trans	-62.6	-52.7	171.8	-164.2	0	0	0	0	111.1	K393 K394 L399 Q400 D401	K393-S397 PolarHBondContact O-N 3.08Å; K394-S397 PolarHBondContact O-N 2.94Å; K394-S397 VanDerWaalsContact O-N 3.08Å; S397-L399 PolarHBondContact O-N 3.21Å; S397-Q400 WeakPolarHBondContact O-CA 3.26Å; S397-Q400 PolarHBondContact O-N 3.18Å; S397-D401 PolarHBondContact O-N 2.68Å; S397-D401 PolarHBondContact OG-OD2 3.05Å; S397-D401 VanDerWaalsContact OG-OD2 3.07Å
398	D	90.6	Very high	89.7	Confident	64 Å²	64	111.7 Å²	111.7	34%	0.342	51%	0.506	S	S	.	.	H	α-helix	trans	-54.1	-25.5	179.1	-65.1	-17.9	0	0	0	112.3	K394 R402	K394-D398 WeakPolarHBondContact CE-OD1 3.47Å; K394-D398 WeakPolarHBondContact CE-OD2 3.46Å; K394-D398 WeakPolarHBondContact CG-OD2 3.43Å; K394-D398 WeakPolarHBondContact O-CB 3.39Å; K394-D398 VanDerWaalsContact O-CG 3.23Å; K394-D398 PolarHBondContact O-N 3.47Å; D398-R402 VanDerWaalsContact O-CD 3.26Å; D398-R402 WeakPolarHBondContact O-CD 3.26Å; D398-R402 WeakPolarHBondContact O-CG 3.19Å; D398-R402 PolarHBondContact O-NE 3.03Å
399	L	90.9	Very high	89.5	Confident	85 Å²	85	114.8 Å²	114.8	45%	0.445	51%	0.514	S	S	.	.	H	α-helix	trans	-83.6	-42.6	174.8	-168.1	76.3	0	0	0	112.6	K395 Q396 S397 R402 Y403	K395-L399 WeakPolarHBondContact O-CB 3.14Å; K395-L399 PolarHBondContact O-N 3.04Å; Q396-L399 PolarHBondContact O-N 3.08Å; S397-L399 PolarHBondContact O-N 3.21Å; L399-R402 PolarHBondContact O-N 3.2Å; L399-Y403 HydrophobicContact CD1-CE2 4.26Å; L399-Y403 HydrophobicContact CD2-CE2 3.9Å; L399-Y403 HydrophobicContact CG-CD2 4.14Å; L399-Y403 HydrophobicContact CG-CE2 3.67Å; L399-Y403 WeakPolarHBondContact O-CD2 3.22Å; L399-Y403 PolarHBondContact O-N 3.07Å; L399-Y403 VanDerWaalsContact O-N 3.08Å
400	Q	87.1	Confident	89.2	Confident	119 Å²	119	116.5 Å²	116.5	56%	0.556	52%	0.522	S	S	*	.	H	α-helix	trans	-63.3	-41.9	175.1	-73.5	176.3	-25.2	0	0	111.7	Q396 S397 R402 Y403 R404	Q396-Q400 WeakPolarHBondContact O-CG 3.15Å; Q396-Q400 PolarHBondContact O-N 3.28Å; Q396-Q400 VanDerWaalsContact O-N 3.08Å; S397-Q400 WeakPolarHBondContact O-CA 3.26Å; S397-Q400 PolarHBondContact O-N 3.18Å; Q400-R402 VanDerWaalsContact C-N 3.31Å; Q400-R402 PolarHBondContact O-N 3.08Å; Q400-Y403 PolarHBondContact O-N 2.85Å; Q400-R404 WeakPolarHBondContact O-CB 3.49Å; Q400-R404 PolarHBondContact O-N 2.9Å
401	D	89.3	Confident	88.8	Confident	77 Å²	77	117 Å²	117	41%	0.412	52%	0.519	S	S	.	.	H	α-helix	trans	-64.5	-34.7	177.2	-67.3	-50.3	0	0	0	111.8	S397 L405	S397-D401 PolarHBondContact O-N 2.68Å; S397-D401 PolarHBondContact OG-OD2 3.05Å; S397-D401 VanDerWaalsContact OG-OD2 3.07Å; D401-L405 VanDerWaalsContact O-CG 3.31Å; D401-L405 WeakPolarHBondContact O-CG 3.26Å; D401-L405 PolarHBondContact O-N 2.87Å
402	R	89.1	Confident	88.5	Confident	160 Å²	160	114.8 Å²	114.8	60%	0.604	52%	0.516	S	S	*	.	H	α-helix	trans	-65.6	-52.8	171.3	-73.6	167.7	-167.4	-147.3	-0.1	112.2	D398 L399 Q400 R404 L405 D406	D398-R402 VanDerWaalsContact O-CD 3.26Å; D398-R402 WeakPolarHBondContact O-CD 3.26Å; D398-R402 WeakPolarHBondContact O-CG 3.19Å; D398-R402 PolarHBondContact O-NE 3.03Å; L399-R402 PolarHBondContact O-N 3.2Å; Q400-R402 VanDerWaalsContact C-N 3.31Å; Q400-R402 PolarHBondContact O-N 3.08Å; R402-R404 PolarHBondContact O-N 3.34Å; R402-L405 PolarHBondContact O-N 3.35Å; R402-D406 PolarHBondContact O-N 3.43Å
403	Y	87.9	Confident	88.3	Confident	161 Å²	161	111.7 Å²	111.7	63%	0.631	52%	0.515	S	S	*	.	H	α-helix	trans	-56.9	-35.5	177.7	-74.1	-54.1	0	0	0	112.1	L399 Q400 L407	L399-Y403 HydrophobicContact CD1-CE2 4.26Å; L399-Y403 HydrophobicContact CD2-CE2 3.9Å; L399-Y403 HydrophobicContact CG-CD2 4.14Å; L399-Y403 HydrophobicContact CG-CE2 3.67Å; L399-Y403 WeakPolarHBondContact O-CD2 3.22Å; L399-Y403 PolarHBondContact O-N 3.07Å; L399-Y403 VanDerWaalsContact O-N 3.08Å; Q400-Y403 PolarHBondContact O-N 2.85Å; Y403-L407 VanDerWaalsContact O-CB 3.26Å; Y403-L407 WeakPolarHBondContact O-CB 3.45Å; Y403-L407 PolarHBondContact O-N 3.26Å
404	R	91.2	Very high	87.8	Confident	153 Å²	153	113.6 Å²	113.6	58%	0.577	52%	0.519	S	S	*	.	H	α-helix	trans	-63.7	-51.1	172.9	179.5	-178.6	170.8	179.7	-3.2	112	Q400 R402 D406 L407 E408	Q400-R404 WeakPolarHBondContact O-CB 3.49Å; Q400-R404 PolarHBondContact O-N 2.9Å; R402-R404 PolarHBondContact O-N 3.34Å; R404-D406 VanDerWaalsContact C-N 3.31Å; R404-D406 PolarHBondContact O-N 2.94Å; R404-L407 PolarHBondContact O-N 2.94Å; R404-E408 IonicContact CZ-OE1 2.67Å; R404-E408 IonicContact NE-OE1 2.66Å; R404-E408 PolarHBondContact NE-OE1 3.32Å; R404-E408 IonicContact NH2-OE1 2.72Å; R404-E408 PolarHBondContact NH2-OE1 2.99Å; R404-E408 WeakPolarHBondContact O-CB 3.44Å; R404-E408 WeakPolarHBondContact O-CG 3.47Å; R404-E408 PolarHBondContact O-N 3.39Å
405	L	90	Very high	87.4	Confident	94 Å²	94	112.3 Å²	112.3	49%	0.492	51%	0.514	S	S	.	.	H	α-helix	trans	-62.7	-37.6	179.7	-73.5	168.3	0	0	0	112.3	D401 R402 E408 R409	D401-L405 VanDerWaalsContact O-CG 3.31Å; D401-L405 WeakPolarHBondContact O-CG 3.26Å; D401-L405 PolarHBondContact O-N 2.87Å; R402-L405 PolarHBondContact O-N 3.35Å; L405-E408 PolarHBondContact O-N 2.88Å; L405-R409 WeakPolarHBondContact O-CD 3.31Å; L405-R409 VanDerWaalsContact O-CG 3.26Å; L405-R409 WeakPolarHBondContact O-CG 3.47Å; L405-R409 PolarHBondContact O-N 3.45Å
406	D	86.3	Confident	87.1	Confident	72 Å²	72	109.6 Å²	109.6	39%	0.385	50%	0.504	S	S	.	.	H	α-helix	trans	-71.8	-37.4	177.4	-66.8	-35.2	0	0	0	111.7	R402 R404 R409 E410	R402-D406 PolarHBondContact O-N 3.43Å; R404-D406 VanDerWaalsContact C-N 3.31Å; R404-D406 PolarHBondContact O-N 2.94Å; D406-R409 WeakPolarHBondContact O-CB 3.36Å; D406-R409 PolarHBondContact O-N 2.89Å; D406-R409 IonicContact OD1-CZ 3.08Å; D406-R409 IonicContact OD1-NH1 3.62Å; D406-R409 PolarHBondContact OD1-NH1 3.34Å; D406-E410 PolarHBondContact O-N 3.32Å
407	L	87.8	Confident	86.7	Confident	87 Å²	87	109.3 Å²	109.3	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-66.1	-35.1	170.2	-178.2	66.7	0	0	0	112.8	Y403 R404 K411	Y403-L407 VanDerWaalsContact O-CB 3.26Å; Y403-L407 WeakPolarHBondContact O-CB 3.45Å; Y403-L407 PolarHBondContact O-N 3.26Å; R404-L407 PolarHBondContact O-N 2.94Å; L407-K411 VanDerWaalsContact O-CG 3.31Å; L407-K411 WeakPolarHBondContact O-CG 3.31Å; L407-K411 PolarHBondContact O-N 3Å
408	E	86.6	Confident	86.2	Confident	76 Å²	76	111.6 Å²	111.6	36%	0.355	51%	0.509	S	S	.	.	H	α-helix	trans	-67.7	-36.4	173.4	-74.7	171.6	-179.5	0	0	110.9	R404 L405 M412	R404-E408 IonicContact CZ-OE1 2.67Å; R404-E408 IonicContact NE-OE1 2.66Å; R404-E408 PolarHBondContact NE-OE1 3.32Å; R404-E408 IonicContact NH2-OE1 2.72Å; R404-E408 PolarHBondContact NH2-OE1 2.99Å; R404-E408 WeakPolarHBondContact O-CB 3.44Å; R404-E408 WeakPolarHBondContact O-CG 3.47Å; R404-E408 PolarHBondContact O-N 3.39Å; L405-E408 PolarHBondContact O-N 2.88Å; E408-M412 WeakPolarHBondContact O-CG 3.38Å; E408-M412 PolarHBondContact O-N 3.41Å
409	R	84.9	Confident	85.8	Confident	157 Å²	157	113.3 Å²	113.3	59%	0.592	52%	0.515	S	S	*	.	H	α-helix	trans	-66.6	-46.3	171.6	-72	160.5	171.6	168.9	-4.5	113.1	L405 D406 K411 M412 V413	L405-R409 WeakPolarHBondContact O-CD 3.31Å; L405-R409 VanDerWaalsContact O-CG 3.26Å; L405-R409 WeakPolarHBondContact O-CG 3.47Å; L405-R409 PolarHBondContact O-N 3.45Å; D406-R409 WeakPolarHBondContact O-CB 3.36Å; D406-R409 PolarHBondContact O-N 2.89Å; D406-R409 IonicContact OD1-CZ 3.08Å; D406-R409 IonicContact OD1-NH1 3.62Å; D406-R409 PolarHBondContact OD1-NH1 3.34Å; R409-K411 PolarHBondContact O-N 2.88Å; R409-M412 PolarHBondContact O-N 2.91Å; R409-M412 VanDerWaalsContact O-N 3.12Å; R409-V413 PolarHBondContact O-N 3.09Å
410	E	83.9	Confident	85.2	Confident	135 Å²	135	114.8 Å²	114.8	63%	0.631	52%	0.52	S	S	*	.	H	α-helix	trans	-58.6	-37.7	177.5	-77.4	-172.9	160.4	0	0	111.8	D406 R414	D406-E410 PolarHBondContact O-N 3.32Å; E410-R414 WeakPolarHBondContact O-CB 3.4Å; E410-R414 PolarHBondContact O-N 3.12Å
411	K	83.9	Confident	84.7	Confident	127 Å²	127	115.1 Å²	115.1	55%	0.552	52%	0.523	S	S	*	.	H	α-helix	trans	-63.4	-43.9	173.9	-73.7	169.3	-177.9	175.7	0	112.7	L407 R409 R414 Q415	L407-K411 VanDerWaalsContact O-CG 3.31Å; L407-K411 WeakPolarHBondContact O-CG 3.31Å; L407-K411 PolarHBondContact O-N 3Å; R409-K411 PolarHBondContact O-N 2.88Å; K411-R414 PolarHBondContact O-N 3.25Å; K411-Q415 PolarHBondContact O-N 3.32Å
412	M	85.6	Confident	84.3	Confident	105 Å²	105	114.1 Å²	114.1	52%	0.517	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-50.8	176.6	-69.1	-60.6	-55.9	0	0	111.5	E408 R409 R414 Q415 E416	E408-M412 WeakPolarHBondContact O-CG 3.38Å; E408-M412 PolarHBondContact O-N 3.41Å; R409-M412 PolarHBondContact O-N 2.91Å; R409-M412 VanDerWaalsContact O-N 3.12Å; M412-R414 VanDerWaalsContact C-N 3.26Å; M412-R414 PolarHBondContact O-N 2.91Å; M412-Q415 PolarHBondContact O-N 2.99Å; M412-Q415 VanDerWaalsContact O-N 3.09Å; M412-E416 WeakPolarHBondContact O-CG 3.29Å; M412-E416 PolarHBondContact O-N 2.93Å
413	V	86.9	Confident	83.8	Confident	91 Å²	91	112.5 Å²	112.5	55%	0.552	52%	0.524	S	S	*	.	H	α-helix	trans	-61.1	-37.2	178.4	174.1	0	0	0	0	111.4	R409 M417	R409-V413 PolarHBondContact O-N 3.09Å; V413-M417 WeakPolarHBondContact O-CB 3.45Å; V413-M417 PolarHBondContact O-N 2.99Å
414	R	82.1	Confident	83.5	Confident	164 Å²	164	110.5 Å²	110.5	62%	0.619	52%	0.519	S	S	*	.	H	α-helix	trans	-65.8	-42.1	174.3	179.3	175.1	173.3	141.2	11.5	112.1	E410 K411 M412 M417 E418	E410-R414 WeakPolarHBondContact O-CB 3.4Å; E410-R414 PolarHBondContact O-N 3.12Å; K411-R414 PolarHBondContact O-N 3.25Å; M412-R414 VanDerWaalsContact C-N 3.26Å; M412-R414 PolarHBondContact O-N 2.91Å; R414-M417 PolarHBondContact O-N 2.76Å; R414-E418 HydrophobicContact CG-CG 4.43Å; R414-E418 IonicContact CZ-OE1 2.65Å; R414-E418 IonicContact NE-OE1 2.81Å; R414-E418 PolarHBondContact NE-OE1 3.19Å; R414-E418 IonicContact NH2-OE1 3.43Å; R414-E418 PolarHBondContact NH2-OE1 3.2Å; R414-E418 WeakPolarHBondContact O-CB 3.47Å; R414-E418 WeakPolarHBondContact O-CG 3.47Å; R414-E418 PolarHBondContact O-N 3.32Å
415	Q	83.5	Confident	82.7	Confident	101 Å²	101	106.1 Å²	106.1	47%	0.472	51%	0.512	S	S	.	.	H	α-helix	trans	-64.2	-45.2	176.5	-172.4	-175.6	-35.6	0	0	111	K411 M412 M417 E418 E419	K411-Q415 PolarHBondContact O-N 3.32Å; M412-Q415 PolarHBondContact O-N 2.99Å; M412-Q415 VanDerWaalsContact O-N 3.09Å; Q415-M417 VanDerWaalsContact C-N 3.28Å; Q415-M417 PolarHBondContact O-N 2.73Å; Q415-E418 PolarHBondContact O-N 2.69Å; Q415-E418 VanDerWaalsContact O-N 3.15Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.48Å; Q415-E419 PolarHBondContact NE2-OE1 2.9Å; Q415-E419 WeakPolarHBondContact O-CG 3.17Å; Q415-E419 PolarHBondContact O-N 3.4Å
416	E	83.6	Confident	82.2	Confident	101 Å²	101	104.6 Å²	104.6	47%	0.472	51%	0.509	S	S	.	.	H	α-helix	trans	-58.2	-39	174.7	-70.1	173	179.9	0	0	112.1	M412 Q420	M412-E416 WeakPolarHBondContact O-CG 3.29Å; M412-E416 PolarHBondContact O-N 2.93Å; E416-Q420 VanDerWaalsContact O-CG 3.29Å; E416-Q420 WeakPolarHBondContact O-CG 3.25Å; E416-Q420 PolarHBondContact O-N 3.47Å
417	M	79.3	Confident	82.1	Confident	114 Å²	114	105 Å²	105	56%	0.562	51%	0.509	S	S	*	.	H	α-helix	trans	-67.9	-43.3	174.1	-175.8	77	88	0	0	112.1	V413 R414 Q415 E419 Q420 M421	V413-M417 WeakPolarHBondContact O-CB 3.45Å; V413-M417 PolarHBondContact O-N 2.99Å; R414-M417 PolarHBondContact O-N 2.76Å; Q415-M417 VanDerWaalsContact C-N 3.28Å; Q415-M417 PolarHBondContact O-N 2.73Å; M417-E419 VanDerWaalsContact C-N 3.35Å; M417-Q420 PolarHBondContact O-N 2.89Å; M417-M421 WeakPolarHBondContact O-CB 3.41Å; M417-M421 VanDerWaalsContact O-CG 3.25Å; M417-M421 WeakPolarHBondContact O-CG 3.45Å; M417-M421 PolarHBondContact O-N 3.35Å
418	E	79.9	Confident	81.6	Confident	100 Å²	100	105.6 Å²	105.6	47%	0.467	51%	0.512	S	S	.	.	H	α-helix	trans	-65.7	-37.1	178.4	-75	174.7	178.7	0	0	111.4	R414 Q415 M421 A422	R414-E418 HydrophobicContact CG-CG 4.43Å; R414-E418 IonicContact CZ-OE1 2.65Å; R414-E418 IonicContact NE-OE1 2.81Å; R414-E418 PolarHBondContact NE-OE1 3.19Å; R414-E418 IonicContact NH2-OE1 3.43Å; R414-E418 PolarHBondContact NH2-OE1 3.2Å; R414-E418 WeakPolarHBondContact O-CB 3.47Å; R414-E418 WeakPolarHBondContact O-CG 3.47Å; R414-E418 PolarHBondContact O-N 3.32Å; Q415-E418 PolarHBondContact O-N 2.69Å; Q415-E418 VanDerWaalsContact O-N 3.15Å; E418-M421 PolarHBondContact O-N 3.06Å; E418-A422 WeakPolarHBondContact O-CB 3.44Å; E418-A422 PolarHBondContact O-N 2.67Å
419	E	81.3	Confident	81.1	Confident	101 Å²	101	106.7 Å²	106.7	47%	0.472	52%	0.52	S	S	.	.	H	α-helix	trans	-66	-43.2	172.3	-72.3	176.6	-158.4	0	0	112.4	Q415 M417 A422 Q423	Q415-E419 WeakPolarHBondContact CG-OE1 3.48Å; Q415-E419 PolarHBondContact NE2-OE1 2.9Å; Q415-E419 WeakPolarHBondContact O-CG 3.17Å; Q415-E419 PolarHBondContact O-N 3.4Å; M417-E419 VanDerWaalsContact C-N 3.35Å; E419-A422 PolarHBondContact O-N 2.79Å; E419-Q423 WeakPolarHBondContact O-CG 3.42Å; E419-Q423 PolarHBondContact O-N 3.43Å; E419-Q423 VanDerWaalsContact O-N 3.1Å
420	Q	79.6	Confident	80.9	Confident	116 Å²	116	104 Å²	104	54%	0.542	51%	0.514	S	S	.	.	H	α-helix	trans	-64.2	-40	174.3	-74.8	174.5	46.1	0	0	112.4	E416 M417 Q423 K424	E416-Q420 VanDerWaalsContact O-CG 3.29Å; E416-Q420 WeakPolarHBondContact O-CG 3.25Å; E416-Q420 PolarHBondContact O-N 3.47Å; M417-Q420 PolarHBondContact O-N 2.89Å; Q420-Q423 PolarHBondContact O-N 3.07Å; Q420-K424 WeakPolarHBondContact O-CG 3.45Å; Q420-K424 PolarHBondContact O-N 3.37Å
421	M	76.1	Confident	80.5	Confident	125 Å²	125	104.7 Å²	104.7	62%	0.616	51%	0.512	S	S	*	.	H	α-helix	trans	-64.4	-39.7	175.8	-74.6	-68.5	-67.9	0	0	111.8	M417 E418 K424 S425	M417-M421 WeakPolarHBondContact O-CB 3.41Å; M417-M421 VanDerWaalsContact O-CG 3.25Å; M417-M421 WeakPolarHBondContact O-CG 3.45Å; M417-M421 PolarHBondContact O-N 3.35Å; E418-M421 PolarHBondContact O-N 3.06Å; M421-K424 PolarHBondContact O-N 2.88Å; M421-S425 PolarHBondContact O-N 2.99Å; M421-S425 PolarHBondContact O-OG 3.15Å
422	A	80.1	Confident	80.2	Confident	56 Å²	56	102.5 Å²	102.5	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-65.6	-36.4	176.1	0	0	0	0	0	112.9	E418 E419 S425 S426	E418-A422 WeakPolarHBondContact O-CB 3.44Å; E418-A422 PolarHBondContact O-N 2.67Å; E419-A422 PolarHBondContact O-N 2.79Å; A422-S425 WeakPolarHBondContact CA-OG 3.47Å; A422-S425 PolarHBondContact O-OG 3.07Å; A422-S426 PolarHBondContact O-N 3.42Å; A422-S426 VanDerWaalsContact O-N 3.15Å
423	Q	79.6	Confident	79.9	Confident	126 Å²	126	103.2 Å²	103.2	59%	0.589	51%	0.508	S	S	*	.	H	α-helix	trans	-62.6	-44.5	170.7	-68.9	174	14.8	0	0	110.9	E419 Q420 S426 E427	E419-Q423 WeakPolarHBondContact O-CG 3.42Å; E419-Q423 PolarHBondContact O-N 3.43Å; E419-Q423 VanDerWaalsContact O-N 3.1Å; Q420-Q423 PolarHBondContact O-N 3.07Å; Q423-S426 PolarHBondContact O-N 3.04Å; Q423-E427 PolarHBondContact O-N 3.26Å
424	K	81	Confident	79.3	Confident	120 Å²	120	105.7 Å²	105.7	52%	0.522	51%	0.507	S	S	.	.	H	α-helix	trans	-69.5	-32.2	-179.8	-68.9	-69.2	160.5	-144.5	0	114.1	Q420 M421 E427 L428	Q420-K424 WeakPolarHBondContact O-CG 3.45Å; Q420-K424 PolarHBondContact O-N 3.37Å; M421-K424 PolarHBondContact O-N 2.88Å; K424-E427 WeakPolarHBondContact CD-OE2 3.17Å; K424-E427 IonicContact NZ-OE1 3.3Å; K424-E427 PolarHBondContact NZ-OE1 3.48Å; K424-E427 IonicContact NZ-OE2 2.66Å; K424-E427 PolarHBondContact NZ-OE2 3.13Å; K424-L428 PolarHBondContact O-N 2.98Å; K424-L428 VanDerWaalsContact O-N 3.13Å
425	S	73.9	Confident	79.2	Confident	60 Å²	60	101.1 Å²	101.1	42%	0.42	50%	0.498	S	S	.	.	H	α-helix	trans	-67.8	-40.2	170.2	56.4	0	0	0	0	111.8	M421 A422 E427 L428 D429	M421-S425 PolarHBondContact O-N 2.99Å; M421-S425 PolarHBondContact O-OG 3.15Å; A422-S425 WeakPolarHBondContact CA-OG 3.47Å; A422-S425 PolarHBondContact O-OG 3.07Å; S425-E427 VanDerWaalsContact C-N 3.33Å; S425-E427 PolarHBondContact O-N 3.15Å; S425-L428 WeakPolarHBondContact O-CB 3.48Å; S425-L428 PolarHBondContact O-N 3.36Å; S425-L428 VanDerWaalsContact O-N 3.07Å; S425-D429 PolarHBondContact O-N 3.07Å
426	S	80.9	Confident	78.7	Confident	63 Å²	63	104.5 Å²	104.5	44%	0.441	51%	0.506	S	S	.	.	H	α-helix	trans	-66	-33.2	177.7	-170.7	0	0	0	0	113.3	A422 Q423 Q430	A422-S426 PolarHBondContact O-N 3.42Å; A422-S426 VanDerWaalsContact O-N 3.15Å; Q423-S426 PolarHBondContact O-N 3.04Å; S426-Q430 WeakPolarHBondContact O-CG 3.46Å; S426-Q430 PolarHBondContact O-NE2 3.25Å
427	E	82.6	Confident	78.6	Confident	81 Å²	81	105 Å²	105	38%	0.379	51%	0.509	S	S	.	.	H	α-helix	trans	-63.1	-46	167.6	-73.5	174.6	-159.5	0	0	111.5	Q423 K424 S425 D429 Q430 Y431	Q423-E427 PolarHBondContact O-N 3.26Å; K424-E427 WeakPolarHBondContact CD-OE2 3.17Å; K424-E427 IonicContact NZ-OE1 3.3Å; K424-E427 PolarHBondContact NZ-OE1 3.48Å; K424-E427 IonicContact NZ-OE2 2.66Å; K424-E427 PolarHBondContact NZ-OE2 3.13Å; S425-E427 VanDerWaalsContact C-N 3.33Å; S425-E427 PolarHBondContact O-N 3.15Å; E427-D429 PolarHBondContact O-N 3.1Å; E427-Q430 PolarHBondContact O-N 2.95Å; E427-Y431 WeakPolarHBondContact O-CD2 3.49Å; E427-Y431 PolarHBondContact O-N 3.4Å
428	L	78.3	Confident	78.5	Confident	98 Å²	98	104.4 Å²	104.4	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-63.4	-41.7	-177.9	-177.2	62.3	0	0	0	112.6	K424 S425 Q430 Y431 L432	K424-L428 PolarHBondContact O-N 2.98Å; K424-L428 VanDerWaalsContact O-N 3.13Å; S425-L428 WeakPolarHBondContact O-CB 3.48Å; S425-L428 PolarHBondContact O-N 3.36Å; S425-L428 VanDerWaalsContact O-N 3.07Å; L428-Q430 VanDerWaalsContact C-N 3.27Å; L428-Q430 PolarHBondContact O-N 2.94Å; L428-Y431 WeakPolarHBondContact O-CB 3.45Å; L428-Y431 PolarHBondContact O-N 3.29Å; L428-Y431 VanDerWaalsContact O-N 3.07Å; L428-L432 HydrophobicContact CG-CD1 4.22Å; L428-L432 HydrophobicContact CG-CG 4.49Å; L428-L432 WeakPolarHBondContact O-CG 3.41Å; L428-L432 PolarHBondContact O-N 2.82Å
429	D	76.8	Confident	78.4	Confident	99 Å²	99	104.6 Å²	104.6	53%	0.529	51%	0.508	S	S	.	.	H	α-helix	trans	-59.1	-38.6	177.2	-71.7	-37	0	0	0	111.9	S425 E427 Y431 L432 Q433	S425-D429 PolarHBondContact O-N 3.07Å; E427-D429 PolarHBondContact O-N 3.1Å; D429-Y431 VanDerWaalsContact C-N 3.34Å; D429-Y431 PolarHBondContact O-N 3.06Å; D429-L432 PolarHBondContact O-N 3.26Å; D429-Q433 WeakPolarHBondContact O-CB 3.48Å; D429-Q433 PolarHBondContact O-N 3.48Å
430	Q	80.8	Confident	78.3	Confident	102 Å²	102	103.8 Å²	103.8	48%	0.477	51%	0.507	S	S	.	.	H	α-helix	trans	-67.5	-32.1	175.9	-65.9	171.4	45.6	0	0	112.8	S426 E427 L428 R434	S426-Q430 WeakPolarHBondContact O-CG 3.46Å; S426-Q430 PolarHBondContact O-NE2 3.25Å; E427-Q430 PolarHBondContact O-N 2.95Å; L428-Q430 VanDerWaalsContact C-N 3.27Å; L428-Q430 PolarHBondContact O-N 2.94Å; Q430-R434 PolarHBondContact O-N 3.14Å
431	Y	74.1	Confident	78	Confident	148 Å²	148	103.6 Å²	103.6	58%	0.58	51%	0.508	S	S	*	.	H	α-helix	trans	-70.4	-44.5	171.5	-75.5	-72.4	0	0	0	111.4	E427 L428 D429 Q433 R434 V435	E427-Y431 WeakPolarHBondContact O-CD2 3.49Å; E427-Y431 PolarHBondContact O-N 3.4Å; L428-Y431 WeakPolarHBondContact O-CB 3.45Å; L428-Y431 PolarHBondContact O-N 3.29Å; L428-Y431 VanDerWaalsContact O-N 3.07Å; D429-Y431 VanDerWaalsContact C-N 3.34Å; D429-Y431 PolarHBondContact O-N 3.06Å; Y431-Q433 VanDerWaalsContact C-N 3.3Å; Y431-Q433 PolarHBondContact O-N 3.05Å; Y431-R434 PolarHBondContact O-N 3.4Å; Y431-V435 WeakPolarHBondContact O-CG2 3.4Å; Y431-V435 PolarHBondContact O-N 3.32Å; Y431-V435 VanDerWaalsContact O-N 3.14Å
432	L	78	Confident	77.9	Confident	81 Å²	81	106.1 Å²	106.1	42%	0.424	51%	0.511	S	S	.	.	H	α-helix	trans	-62.8	-36	178.6	-69	172.7	0	0	0	112.4	L428 D429 V435 R436	L428-L432 HydrophobicContact CG-CD1 4.22Å; L428-L432 HydrophobicContact CG-CG 4.49Å; L428-L432 WeakPolarHBondContact O-CG 3.41Å; L428-L432 PolarHBondContact O-N 2.82Å; D429-L432 PolarHBondContact O-N 3.26Å; L432-V435 PolarHBondContact O-N 3.48Å; L432-R436 PolarHBondContact O-N 3.17Å; L432-R436 VanDerWaalsContact O-N 3.16Å
433	Q	78.7	Confident	77.8	Confident	120 Å²	120	109 Å²	109	56%	0.561	52%	0.515	S	S	*	.	H	α-helix	trans	-63.4	-43.2	176.1	-171.4	167.5	-6.2	0	0	112.1	D429 Y431 V435 R436 E437	D429-Q433 WeakPolarHBondContact O-CB 3.48Å; D429-Q433 PolarHBondContact O-N 3.48Å; Y431-Q433 VanDerWaalsContact C-N 3.3Å; Y431-Q433 PolarHBondContact O-N 3.05Å; Q433-V435 VanDerWaalsContact C-N 3.32Å; Q433-V435 PolarHBondContact O-N 3.07Å; Q433-R436 PolarHBondContact O-N 2.93Å; Q433-E437 WeakPolarHBondContact O-CG 3.42Å; Q433-E437 PolarHBondContact O-N 3.39Å; Q433-E437 VanDerWaalsContact O-N 3.15Å
434	R	75.9	Confident	77.7	Confident	143 Å²	143	110.1 Å²	110.1	54%	0.54	51%	0.514	S	S	.	.	H	α-helix	trans	-65	-32.2	174.7	-70.9	174	177.1	145.8	1.9	113.4	Q430 Y431 L438	Q430-R434 PolarHBondContact O-N 3.14Å; Y431-R434 PolarHBondContact O-N 3.4Å; R434-L438 WeakPolarHBondContact O-CG 3.28Å; R434-L438 PolarHBondContact O-N 3.29Å
435	V	79.2	Confident	77.3	Confident	69 Å²	69	110.5 Å²	110.5	42%	0.418	52%	0.521	S	S	.	.	H	α-helix	trans	-65.7	-46.1	175.3	172.5	0	0	0	0	110.2	Y431 L432 Q433 E437 L438 E439	Y431-V435 WeakPolarHBondContact O-CG2 3.4Å; Y431-V435 PolarHBondContact O-N 3.32Å; Y431-V435 VanDerWaalsContact O-N 3.14Å; L432-V435 PolarHBondContact O-N 3.48Å; Q433-V435 VanDerWaalsContact C-N 3.32Å; Q433-V435 PolarHBondContact O-N 3.07Å; V435-E437 VanDerWaalsContact C-N 3.34Å; V435-E437 PolarHBondContact O-N 3.29Å; V435-L438 WeakPolarHBondContact O-CB 3.48Å; V435-L438 PolarHBondContact O-N 3.34Å; V435-E439 HydrophobicContact CG1-CG 4.26Å; V435-E439 WeakPolarHBondContact O-CG 3.49Å; V435-E439 PolarHBondContact O-N 3.5Å
436	R	74.1	Confident	77.3	Confident	171 Å²	171	112.4 Å²	112.4	65%	0.645	52%	0.523	S	S	*	.	H	α-helix	trans	-60.3	-40.8	176.8	-69.6	178.1	-177.5	156.9	3.6	113	L432 Q433 L438 E439 D440	L432-R436 PolarHBondContact O-N 3.17Å; L432-R436 VanDerWaalsContact O-N 3.16Å; Q433-R436 PolarHBondContact O-N 2.93Å; R436-L438 PolarHBondContact O-N 3.16Å; R436-E439 PolarHBondContact O-N 3.31Å; R436-D440 WeakPolarHBondContact O-CB 3.44Å; R436-D440 PolarHBondContact O-N 3.05Å
437	E	80.3	Confident	77.2	Confident	113 Å²	113	115.5 Å²	115.5	53%	0.528	53%	0.531	S	S	.	.	H	α-helix	trans	-60.5	-30.7	175.5	-71.6	168.7	-177.3	0	0	112.7	Q433 V435	Q433-E437 WeakPolarHBondContact O-CG 3.42Å; Q433-E437 PolarHBondContact O-N 3.39Å; Q433-E437 VanDerWaalsContact O-N 3.15Å; V435-E437 VanDerWaalsContact C-N 3.34Å; V435-E437 PolarHBondContact O-N 3.29Å
438	L	77.4	Confident	76.9	Confident	100 Å²	100	114.5 Å²	114.5	52%	0.524	54%	0.537	S	S	.	.	H	α-helix	trans	-80.5	-39.2	174.4	-67.1	168.3	0	0	0	112.4	R434 V435 R436 M441 Y442	R434-L438 WeakPolarHBondContact O-CG 3.28Å; R434-L438 PolarHBondContact O-N 3.29Å; V435-L438 WeakPolarHBondContact O-CB 3.48Å; V435-L438 PolarHBondContact O-N 3.34Å; R436-L438 PolarHBondContact O-N 3.16Å; L438-M441 HydrophobicContact CD2-CE 4.27Å; L438-M441 PolarHBondContact O-N 3.3Å; L438-Y442 WeakPolarHBondContact O-CD2 3.47Å; L438-Y442 PolarHBondContact O-N 3.31Å
439	E	77.4	Confident	76.7	Confident	104 Å²	104	115 Å²	115	49%	0.486	54%	0.539	S	S	.	.	H	α-helix	trans	-60.7	-44.8	174.9	-69.6	170.5	149	0	0	111.1	V435 R436 M441 Y442 H443	V435-E439 HydrophobicContact CG1-CG 4.26Å; V435-E439 WeakPolarHBondContact O-CG 3.49Å; V435-E439 PolarHBondContact O-N 3.5Å; R436-E439 PolarHBondContact O-N 3.31Å; E439-M441 VanDerWaalsContact C-N 3.31Å; E439-M441 PolarHBondContact O-N 3.43Å; E439-Y442 WeakPolarHBondContact O-CB 3.35Å; E439-Y442 PolarHBondContact O-N 2.81Å; E439-Y442 VanDerWaalsContact O-N 3.1Å; E439-H443 PolarHBondContact O-N 2.65Å
440	D	79.7	Confident	76.6	Confident	84 Å²	84	114.9 Å²	114.9	45%	0.449	54%	0.535	S	S	.	.	H	α-helix	trans	-57.4	-39.1	173.8	-107.9	35.3	0	0	0	112.8	R436 R444	R436-D440 WeakPolarHBondContact O-CB 3.44Å; R436-D440 PolarHBondContact O-N 3.05Å; D440-R444 WeakPolarHBondContact O-CG 3.47Å; D440-R444 PolarHBondContact O-N 3.16Å; D440-R444 PolarHBondContact O-NE 3.25Å; D440-R444 IonicContact OD2-CZ 3.61Å; D440-R444 IonicContact OD2-NH2 3.45Å; D440-R444 PolarHBondContact OD2-NH2 3.35Å
441	M	73.9	Confident	76.5	Confident	113 Å²	113	115.8 Å²	115.8	56%	0.557	54%	0.543	S	S	*	.	H	α-helix	trans	-71.3	-38.2	175	-73.5	-147.3	-57.6	0	0	112.1	L438 E439 L445	L438-M441 HydrophobicContact CD2-CE 4.27Å; L438-M441 PolarHBondContact O-N 3.3Å; E439-M441 VanDerWaalsContact C-N 3.31Å; E439-M441 PolarHBondContact O-N 3.43Å; M441-L445 PolarHBondContact O-N 2.94Å; M441-L445 VanDerWaalsContact O-N 3.16Å
442	Y	73.6	Confident	76.5	Confident	178 Å²	178	113.5 Å²	113.5	70%	0.698	54%	0.538	S	S	*	.	H	α-helix	trans	-62.8	-42.1	176.2	-100	-80.1	0	0	0	112.1	L438 E439 L445 Q446	L438-Y442 WeakPolarHBondContact O-CD2 3.47Å; L438-Y442 PolarHBondContact O-N 3.31Å; E439-Y442 WeakPolarHBondContact O-CB 3.35Å; E439-Y442 PolarHBondContact O-N 2.81Å; E439-Y442 VanDerWaalsContact O-N 3.1Å; Y442-L445 PolarHBondContact O-N 2.86Å; Y442-Q446 PolarHBondContact O-N 3.23Å
443	H	76.8	Confident	76.3	Confident	115 Å²	115	117 Å²	117	53%	0.532	55%	0.546	S	S	.	.	H	α-helix	trans	-62.9	-45.8	177.5	-73	-19.9	0	0	0	112.5	E439 L445 Q446 E447	E439-H443 PolarHBondContact O-N 2.65Å; H443-L445 PolarHBondContact O-N 2.99Å; H443-Q446 WeakPolarHBondContact O-CA 3.41Å; H443-Q446 WeakPolarHBondContact O-CB 3.47Å; H443-Q446 PolarHBondContact O-N 3.29Å; H443-E447 PolarHBondContact O-N 3.1Å
444	R	77.4	Confident	76.1	Confident	150 Å²	150	115.8 Å²	115.8	57%	0.566	54%	0.54	S	S	*	.	H	α-helix	trans	-62.1	-31.6	176.4	-64.1	171	-152.4	170	8.7	112.9	D440 A448	D440-R444 WeakPolarHBondContact O-CG 3.47Å; D440-R444 PolarHBondContact O-N 3.16Å; D440-R444 PolarHBondContact O-NE 3.25Å; D440-R444 IonicContact OD2-CZ 3.61Å; D440-R444 IonicContact OD2-NH2 3.45Å; D440-R444 PolarHBondContact OD2-NH2 3.35Å; R444-A448 PolarHBondContact O-N 3.39Å
445	L	74.3	Confident	75.9	Confident	129 Å²	129	112 Å²	112	68%	0.675	54%	0.539	S	S	*	.	H	α-helix	trans	-73	-29.4	174.5	-121.2	159.2	0	0	0	112.4	M441 Y442 H443	M441-L445 PolarHBondContact O-N 2.94Å; M441-L445 VanDerWaalsContact O-N 3.16Å; Y442-L445 PolarHBondContact O-N 2.86Å; H443-L445 PolarHBondContact O-N 2.99Å
446	Q	73.4	Confident	75.6	Confident	100 Å²	100	114.7 Å²	114.7	47%	0.467	55%	0.545	S	S	.	.	H	α-helix	trans	-76.7	-43.9	175.4	-170.3	-177.1	-33.7	0	0	111.8	Y442 H443 A448 L449 E450	Y442-Q446 PolarHBondContact O-N 3.23Å; H443-Q446 WeakPolarHBondContact O-CA 3.41Å; H443-Q446 WeakPolarHBondContact O-CB 3.47Å; H443-Q446 PolarHBondContact O-N 3.29Å; Q446-A448 VanDerWaalsContact C-N 3.33Å; Q446-A448 PolarHBondContact O-N 3.15Å; Q446-L449 WeakPolarHBondContact O-CB 3.42Å; Q446-L449 PolarHBondContact O-N 2.91Å; Q446-E450 WeakPolarHBondContact CG-OE1 3.4Å; Q446-E450 PolarHBondContact NE2-OE1 3.07Å; Q446-E450 PolarHBondContact O-N 3.2Å
447	E	79	Confident	75.6	Confident	127 Å²	127	111.5 Å²	111.5	59%	0.593	54%	0.537	S	S	*	.	H	α-helix	trans	-54.6	-48.5	175.4	-70.4	175.2	143.4	0	0	111.2	H443 L449 E450 D451	H443-E447 PolarHBondContact O-N 3.1Å; E447-L449 PolarHBondContact O-N 3Å; E447-E450 PolarHBondContact O-N 2.93Å; E447-E450 VanDerWaalsContact O-N 3.07Å; E447-D451 PolarHBondContact O-N 3.27Å
448	A	75.5	Confident	75.3	Confident	61 Å²	61	110.2 Å²	110.2	50%	0.504	53%	0.534	S	S	.	.	H	α-helix	trans	-62.6	-27.4	178.1	0	0	0	0	0	114.1	R444 Q446 E452	R444-A448 PolarHBondContact O-N 3.39Å; Q446-A448 VanDerWaalsContact C-N 3.33Å; Q446-A448 PolarHBondContact O-N 3.15Å; A448-E452 PolarHBondContact O-N 3.03Å
449	L	75.1	Confident	75	Confident	107 Å²	107	109.8 Å²	109.8	56%	0.56	53%	0.53	S	S	*	.	H	α-helix	trans	-78.1	-32.1	175.2	-171.3	74.3	0	0	0	111.9	Q446 E447 R453	Q446-L449 WeakPolarHBondContact O-CB 3.42Å; Q446-L449 PolarHBondContact O-N 2.91Å; E447-L449 PolarHBondContact O-N 3Å; L449-R453 PolarHBondContact O-N 3.01Å
450	E	75	Confident	74.8	Confident	98 Å²	98	109.7 Å²	109.7	46%	0.458	53%	0.529	S	S	.	.	H	α-helix	trans	-74.5	-37	177.1	-70.1	177.7	-164.7	0	0	111	Q446 E447 R453 Q454	Q446-E450 WeakPolarHBondContact CG-OE1 3.4Å; Q446-E450 PolarHBondContact NE2-OE1 3.07Å; Q446-E450 PolarHBondContact O-N 3.2Å; E447-E450 PolarHBondContact O-N 2.93Å; E447-E450 VanDerWaalsContact O-N 3.07Å; E450-R453 WeakPolarHBondContact O-CB 3.44Å; E450-R453 PolarHBondContact O-N 3.28Å; E450-Q454 PolarHBondContact O-N 2.71Å
451	D	77.4	Confident	74.6	Confident	120 Å²	120	108.1 Å²	108.1	64%	0.642	53%	0.528	S	S	*	.	H	α-helix	trans	-59.7	-46.2	169.1	-82.3	-20.5	0	0	0	112.6	E447 R453 Q454 A455	E447-D451 PolarHBondContact O-N 3.27Å; D451-R453 VanDerWaalsContact C-N 3.27Å; D451-R453 PolarHBondContact O-N 2.96Å; D451-Q454 PolarHBondContact O-N 2.99Å; D451-A455 PolarHBondContact O-N 3.35Å
452	E	73.6	Confident	74.4	Confident	101 Å²	101	109.2 Å²	109.2	47%	0.472	53%	0.533	S	S	.	.	H	α-helix	trans	-63.7	-35.2	177.8	-157.7	-148.5	132.6	0	0	111.8	A448 K456	A448-E452 PolarHBondContact O-N 3.03Å; E452-K456 PolarHBondContact O-N 3.42Å; E452-K456 WeakPolarHBondContact OE1-CE 3.44Å; E452-K456 IonicContact OE1-NZ 2.72Å; E452-K456 PolarHBondContact OE1-NZ 3.42Å
453	R	74.9	Confident	74.3	Confident	155 Å²	155	108 Å²	108	59%	0.585	53%	0.528	S	S	*	.	H	α-helix	trans	-65.7	-43.4	173.5	-86.1	178.8	55.5	-172.2	-9.4	112.1	L449 E450 D451 K456 Q457	L449-R453 PolarHBondContact O-N 3.01Å; E450-R453 WeakPolarHBondContact O-CB 3.44Å; E450-R453 PolarHBondContact O-N 3.28Å; D451-R453 VanDerWaalsContact C-N 3.27Å; D451-R453 PolarHBondContact O-N 2.96Å; R453-K456 PolarHBondContact O-N 3.37Å; R453-Q457 WeakPolarHBondContact O-CG 3.49Å; R453-Q457 PolarHBondContact O-N 2.61Å; R453-Q457 VanDerWaalsContact O-N 3.15Å
454	Q	74.4	Confident	74.1	Confident	94 Å²	94	108.3 Å²	108.3	44%	0.439	53%	0.527	S	S	.	.	H	α-helix	trans	-63.2	-48.5	179.3	-176.4	55.1	48.5	0	0	110.8	E450 D451 K456 Q457 D458	E450-Q454 PolarHBondContact O-N 2.71Å; D451-Q454 PolarHBondContact O-N 2.99Å; Q454-K456 VanDerWaalsContact C-N 3.26Å; Q454-K456 PolarHBondContact O-N 2.86Å; Q454-Q457 PolarHBondContact O-N 3.2Å; Q454-D458 VanDerWaalsContact NE2-CG 3.28Å; Q454-D458 PolarHBondContact NE2-OD1 2.6Å; Q454-D458 VanDerWaalsContact NE2-OD1 3.12Å; Q454-D458 PolarHBondContact NE2-OD2 3.23Å; Q454-D458 PolarHBondContact O-N 3.28Å
455	A	72.4	Confident	74	Confident	63 Å²	63	106.6 Å²	106.6	52%	0.521	53%	0.529	S	S	.	.	H	α-helix	trans	-55.7	-38.6	178.1	0	0	0	0	0	113.2	D451 E459	D451-A455 PolarHBondContact O-N 3.35Å; A455-E459 PolarHBondContact O-N 3.38Å; A455-E459 VanDerWaalsContact O-N 3.16Å
456	K	72.8	Confident	73.8	Confident	126 Å²	126	106.7 Å²	106.7	55%	0.548	53%	0.526	S	S	.	.	H	α-helix	trans	-70.3	-34.8	175	-82.1	174.4	173.1	161.7	0	113.6	E452 R453 Q454 E459 E460	E452-K456 PolarHBondContact O-N 3.42Å; E452-K456 WeakPolarHBondContact OE1-CE 3.44Å; E452-K456 IonicContact OE1-NZ 2.72Å; E452-K456 PolarHBondContact OE1-NZ 3.42Å; R453-K456 PolarHBondContact O-N 3.37Å; Q454-K456 VanDerWaalsContact C-N 3.26Å; Q454-K456 PolarHBondContact O-N 2.86Å; K456-E459 PolarHBondContact O-N 3.5Å; K456-E460 PolarHBondContact O-N 3.06Å
457	Q	72.9	Confident	73.8	Confident	103 Å²	103	104.3 Å²	104.3	48%	0.481	52%	0.523	S	S	.	.	H	α-helix	trans	-68.1	-38.6	176.2	-71.6	-174.1	4.9	0	0	111.7	R453 Q454 E460 A461	R453-Q457 WeakPolarHBondContact O-CG 3.49Å; R453-Q457 PolarHBondContact O-N 2.61Å; R453-Q457 VanDerWaalsContact O-N 3.15Å; Q454-Q457 PolarHBondContact O-N 3.2Å; Q457-E460 PolarHBondContact O-N 3.15Å; Q457-A461 WeakPolarHBondContact O-CB 3.02Å; Q457-A461 PolarHBondContact O-N 3.2Å
458	D	74.2	Confident	73.7	Confident	86 Å²	86	106 Å²	106	46%	0.46	52%	0.524	S	S	.	.	H	α-helix	trans	-68.6	-35.7	176.6	-65.4	-39.2	0	0	0	112.2	Q454 A461 M462	Q454-D458 VanDerWaalsContact NE2-CG 3.28Å; Q454-D458 PolarHBondContact NE2-OD1 2.6Å; Q454-D458 VanDerWaalsContact NE2-OD1 3.12Å; Q454-D458 PolarHBondContact NE2-OD2 3.23Å; Q454-D458 PolarHBondContact O-N 3.28Å; D458-A461 PolarHBondContact O-N 2.95Å; D458-M462 PolarHBondContact O-N 3.29Å; D458-M462 VanDerWaalsContact O-N 3.11Å
459	E	70.4	Confident	73.6	Confident	92 Å²	92	107.7 Å²	107.7	43%	0.43	52%	0.524	S	S	.	.	H	α-helix	trans	-65.6	-42.9	172	-151	-150.8	148.4	0	0	112.1	A455 K456 A461 M462 R463	A455-E459 PolarHBondContact O-N 3.38Å; A455-E459 VanDerWaalsContact O-N 3.16Å; K456-E459 PolarHBondContact O-N 3.5Å; E459-A461 VanDerWaalsContact C-N 3.31Å; E459-A461 PolarHBondContact O-N 3.37Å; E459-M462 PolarHBondContact O-N 2.98Å; E459-R463 WeakPolarHBondContact O-CG 3.38Å; E459-R463 PolarHBondContact O-N 3.07Å; E459-R463 VanDerWaalsContact O-N 3.14Å; E459-R463 IonicContact OE1-CZ 3.32Å; E459-R463 VanDerWaalsContact OE1-CZ 3.24Å; E459-R463 IonicContact OE1-NE 3.27Å; E459-R463 PolarHBondContact OE1-NE 3.46Å; E459-R463 VanDerWaalsContact OE1-NE 3.08Å; E459-R463 IonicContact OE1-NH2 2.7Å; E459-R463 PolarHBondContact OE1-NH2 3.42Å; E459-R463 IonicContact OE2-NH2 3.65Å
460	E	73.3	Confident	73.5	Confident	101 Å²	101	108 Å²	108	47%	0.472	53%	0.526	S	S	.	.	H	α-helix	trans	-66.6	-33.5	177	-155.6	-166.9	144.3	0	0	111.9	K456 Q457 R463 K464	K456-E460 PolarHBondContact O-N 3.06Å; Q457-E460 PolarHBondContact O-N 3.15Å; E460-R463 PolarHBondContact O-N 3.01Å; E460-K464 VanDerWaalsContact CD-NZ 3.34Å; E460-K464 WeakPolarHBondContact O-CG 3.2Å; E460-K464 PolarHBondContact O-N 2.91Å; E460-K464 WeakPolarHBondContact OE1-CE 3.35Å; E460-K464 IonicContact OE1-NZ 2.83Å; E460-K464 PolarHBondContact OE1-NZ 2.88Å
461	A	75.4	Confident	73.4	Confident	52 Å²	52	110 Å²	110	43%	0.43	54%	0.535	S	S	.	.	H	α-helix	trans	-63.7	-45.5	173.9	0	0	0	0	0	111.9	Q457 D458 E459 R463 K464 L465	Q457-A461 WeakPolarHBondContact O-CB 3.02Å; Q457-A461 PolarHBondContact O-N 3.2Å; D458-A461 PolarHBondContact O-N 2.95Å; E459-A461 VanDerWaalsContact C-N 3.31Å; E459-A461 PolarHBondContact O-N 3.37Å; A461-R463 PolarHBondContact O-N 3.41Å; A461-K464 PolarHBondContact O-N 3.43Å; A461-L465 PolarHBondContact O-N 3.12Å
462	M	70.8	Confident	73.5	Confident	135 Å²	135	108.6 Å²	108.6	67%	0.665	53%	0.525	S	S	*	.	H	α-helix	trans	-60	-43.8	174.3	-81.6	-162.6	-74.8	0	0	112.2	D458 E459 K464 L465 Q466	D458-M462 PolarHBondContact O-N 3.29Å; D458-M462 VanDerWaalsContact O-N 3.11Å; E459-M462 PolarHBondContact O-N 2.98Å; M462-K464 VanDerWaalsContact C-N 3.34Å; M462-K464 PolarHBondContact O-N 3.35Å; M462-L465 PolarHBondContact O-N 3.19Å; M462-Q466 PolarHBondContact O-N 2.82Å
463	R	71.5	Confident	73.5	Confident	154 Å²	154	108.5 Å²	108.5	58%	0.581	52%	0.524	S	S	*	.	H	α-helix	trans	-60.9	-40.4	177.6	-67.6	175.3	-175.8	-159.2	5.3	112.1	E459 E460 A461 Q466 A467	E459-R463 WeakPolarHBondContact O-CG 3.38Å; E459-R463 PolarHBondContact O-N 3.07Å; E459-R463 VanDerWaalsContact O-N 3.14Å; E459-R463 IonicContact OE1-CZ 3.32Å; E459-R463 VanDerWaalsContact OE1-CZ 3.24Å; E459-R463 IonicContact OE1-NE 3.27Å; E459-R463 PolarHBondContact OE1-NE 3.46Å; E459-R463 VanDerWaalsContact OE1-NE 3.08Å; E459-R463 IonicContact OE1-NH2 2.7Å; E459-R463 PolarHBondContact OE1-NH2 3.42Å; E459-R463 IonicContact OE2-NH2 3.65Å; E460-R463 PolarHBondContact O-N 3.01Å; A461-R463 PolarHBondContact O-N 3.41Å; R463-Q466 PolarHBondContact O-N 3.3Å; R463-A467 PolarHBondContact O-N 3.06Å
464	K	73.2	Confident	73.5	Confident	120 Å²	120	103.6 Å²	103.6	52%	0.522	52%	0.517	S	S	.	.	H	α-helix	trans	-66.2	-36.4	175.3	-73.7	167.4	-175.7	164.3	0	112.9	E460 A461 M462 A467 R468	E460-K464 VanDerWaalsContact CD-NZ 3.34Å; E460-K464 WeakPolarHBondContact O-CG 3.2Å; E460-K464 PolarHBondContact O-N 2.91Å; E460-K464 WeakPolarHBondContact OE1-CE 3.35Å; E460-K464 IonicContact OE1-NZ 2.83Å; E460-K464 PolarHBondContact OE1-NZ 2.88Å; A461-K464 PolarHBondContact O-N 3.43Å; M462-K464 VanDerWaalsContact C-N 3.34Å; M462-K464 PolarHBondContact O-N 3.35Å; K464-A467 PolarHBondContact O-N 3.04Å; K464-R468 PolarHBondContact O-N 2.98Å
465	L	74	Confident	73.6	Confident	114 Å²	114	101.4 Å²	101.4	60%	0.597	52%	0.515	S	S	*	.	H	α-helix	trans	-70.8	-40	178.4	-148.2	158.7	0	0	0	111	A461 M462 R468 L469	A461-L465 PolarHBondContact O-N 3.12Å; M462-L465 PolarHBondContact O-N 3.19Å; L465-R468 PolarHBondContact O-N 3.32Å; L465-L469 HydrophobicContact CD2-CD1 4.18Å; L465-L469 PolarHBondContact O-N 3.48Å
466	Q	71	Confident	73.8	Confident	132 Å²	132	103 Å²	103	62%	0.617	51%	0.51	S	S	*	.	H	α-helix	trans	-63.5	-40.5	172.6	-171.1	177.9	13.2	0	0	112.6	M462 R463 L469 L470	M462-Q466 PolarHBondContact O-N 2.82Å; R463-Q466 PolarHBondContact O-N 3.3Å; Q466-L469 PolarHBondContact O-N 3.21Å; Q466-L470 WeakPolarHBondContact O-CG 3.4Å; Q466-L470 PolarHBondContact O-N 2.8Å
467	A	72.8	Confident	73.7	Confident	49 Å²	49	105.5 Å²	105.5	41%	0.405	52%	0.516	S	S	.	.	H	α-helix	trans	-61.8	-44.7	176.9	0	0	0	0	0	112.4	R463 K464 L469 L470 E471	R463-A467 PolarHBondContact O-N 3.06Å; K464-A467 PolarHBondContact O-N 3.04Å; A467-L469 PolarHBondContact O-N 3.3Å; A467-L470 WeakPolarHBondContact O-CB 3.45Å; A467-L470 PolarHBondContact O-N 3.4Å; A467-L470 VanDerWaalsContact O-N 3.09Å; A467-E471 PolarHBondContact O-N 2.98Å
468	R	76.3	Confident	73.8	Confident	163 Å²	163	103.9 Å²	103.9	62%	0.615	51%	0.513	S	S	*	.	H	α-helix	trans	-61.4	-40.6	179.8	-169.9	179.8	-64.4	165.6	0.7	112.7	K464 L465 L470 E471 E472	K464-R468 PolarHBondContact O-N 2.98Å; L465-R468 PolarHBondContact O-N 3.32Å; R468-L470 VanDerWaalsContact C-N 3.29Å; R468-L470 PolarHBondContact O-N 3.24Å; R468-E471 PolarHBondContact O-N 3.21Å; R468-E472 PolarHBondContact O-N 2.93Å
469	L	73.5	Confident	73.9	Confident	96 Å²	96	105.8 Å²	105.8	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-64	-33.3	175.3	-71	169.3	0	0	0	112.5	L465 Q466 A467 E473	L465-L469 HydrophobicContact CD2-CD1 4.18Å; L465-L469 PolarHBondContact O-N 3.48Å; Q466-L469 PolarHBondContact O-N 3.21Å; A467-L469 PolarHBondContact O-N 3.3Å; L469-E473 PolarHBondContact O-N 2.89Å; L469-E473 VanDerWaalsContact O-N 3.16Å
470	L	73.3	Confident	73.9	Confident	115 Å²	115	107 Å²	107	60%	0.602	53%	0.529	S	S	*	.	H	α-helix	trans	-72.6	-34.7	174.8	-69.7	168.1	0	0	0	112.4	Q466 A467 R468 A474	Q466-L470 WeakPolarHBondContact O-CG 3.4Å; Q466-L470 PolarHBondContact O-N 2.8Å; A467-L470 WeakPolarHBondContact O-CB 3.45Å; A467-L470 PolarHBondContact O-N 3.4Å; A467-L470 VanDerWaalsContact O-N 3.09Å; R468-L470 VanDerWaalsContact C-N 3.29Å; R468-L470 PolarHBondContact O-N 3.24Å; L470-A474 WeakPolarHBondContact O-CB 3.38Å; L470-A474 PolarHBondContact O-N 2.56Å
471	E	74.2	Confident	73.9	Confident	138 Å²	138	108.3 Å²	108.3	65%	0.645	53%	0.534	S	S	*	.	H	α-helix	trans	-65.3	-42.1	171.8	-69.5	-178.5	137.1	0	0	111.8	A467 R468 E473 A474 A475	A467-E471 PolarHBondContact O-N 2.98Å; R468-E471 PolarHBondContact O-N 3.21Å; E471-E473 PolarHBondContact O-N 3.47Å; E471-A474 PolarHBondContact O-N 3.17Å; E471-A475 WeakPolarHBondContact O-CB 3.36Å; E471-A475 PolarHBondContact O-N 3.09Å
472	E	77.6	Confident	73.8	Confident	92 Å²	92	111.3 Å²	111.3	43%	0.43	54%	0.54	S	S	.	.	H	α-helix	trans	-63.1	-39.6	176.1	-73.5	177.2	-155.6	0	0	112.7	R468 K476	R468-E472 PolarHBondContact O-N 2.93Å; E472-K476 WeakPolarHBondContact O-CD 3.43Å; E472-K476 WeakPolarHBondContact O-CE 3.42Å; E472-K476 VanDerWaalsContact O-CG 3.3Å; E472-K476 WeakPolarHBondContact O-CG 3.31Å; E472-K476 PolarHBondContact O-N 3.38Å
473	E	75.3	Confident	74.1	Confident	98 Å²	98	109.2 Å²	109.2	46%	0.458	53%	0.53	S	S	.	.	H	α-helix	trans	-71.9	-33.6	174.4	-73.3	-60.4	116.5	0	0	112.9	L469 E471 K476 R477	L469-E473 PolarHBondContact O-N 2.89Å; L469-E473 VanDerWaalsContact O-N 3.16Å; E471-E473 PolarHBondContact O-N 3.47Å; E473-K476 WeakPolarHBondContact OE1-CD 3.39Å; E473-K476 IonicContact OE1-NZ 2.66Å; E473-K476 PolarHBondContact OE1-NZ 3.49Å; E473-R477 WeakPolarHBondContact O-CG 3.47Å; E473-R477 PolarHBondContact O-N 3.37Å
474	A	73.6	Confident	74.1	Confident	53 Å²	53	109 Å²	109	44%	0.438	53%	0.53	S	S	.	.	H	α-helix	trans	-66.3	-42.9	173.3	0	0	0	0	0	111.7	L470 E471 R477 T478	L470-A474 WeakPolarHBondContact O-CB 3.38Å; L470-A474 PolarHBondContact O-N 2.56Å; E471-A474 PolarHBondContact O-N 3.17Å; A474-R477 WeakPolarHBondContact O-CB 3.32Å; A474-R477 PolarHBondContact O-N 3.08Å; A474-T478 PolarHBondContact O-N 3.4Å; A474-T478 VanDerWaalsContact O-N 3.08Å
475	A	77.8	Confident	74.2	Confident	48 Å²	48	107.1 Å²	107.1	40%	0.397	53%	0.525	S	S	.	.	H	α-helix	trans	-57	-51.7	176.7	0	0	0	0	0	111.7	E471 R477 T478 E479	E471-A475 WeakPolarHBondContact O-CB 3.36Å; E471-A475 PolarHBondContact O-N 3.09Å; A475-R477 VanDerWaalsContact C-N 3.26Å; A475-R477 PolarHBondContact O-N 3.36Å; A475-T478 PolarHBondContact O-N 3.19Å; A475-T478 PolarHBondContact O-OG1 2.87Å; A475-E479 PolarHBondContact O-N 3.13Å
476	K	75.1	Confident	74.1	Confident	95 Å²	95	108.4 Å²	108.4	41%	0.413	53%	0.526	S	S	.	.	H	α-helix	trans	-55.3	-38.4	177.1	-66.7	163.9	-156.5	168.4	0	112.6	E472 E473 L480	E472-K476 WeakPolarHBondContact O-CD 3.43Å; E472-K476 WeakPolarHBondContact O-CE 3.42Å; E472-K476 VanDerWaalsContact O-CG 3.3Å; E472-K476 WeakPolarHBondContact O-CG 3.31Å; E472-K476 PolarHBondContact O-N 3.38Å; E473-K476 WeakPolarHBondContact OE1-CD 3.39Å; E473-K476 IonicContact OE1-NZ 2.66Å; E473-K476 PolarHBondContact OE1-NZ 3.49Å; K476-L480 WeakPolarHBondContact O-CG 3.47Å; K476-L480 PolarHBondContact O-N 2.98Å
477	R	72.1	Confident	73.9	Confident	179 Å²	179	107.8 Å²	107.8	68%	0.675	52%	0.523	S	S	*	.	H	α-helix	trans	-65.6	-45.6	175.1	-74	179.3	178.3	-175	0	112.1	E473 A474 A475 E479 L480 E481	E473-R477 WeakPolarHBondContact O-CG 3.47Å; E473-R477 PolarHBondContact O-N 3.37Å; A474-R477 WeakPolarHBondContact O-CB 3.32Å; A474-R477 PolarHBondContact O-N 3.08Å; A475-R477 VanDerWaalsContact C-N 3.26Å; A475-R477 PolarHBondContact O-N 3.36Å; R477-E479 VanDerWaalsContact C-N 3.31Å; R477-E479 PolarHBondContact O-N 3.41Å; R477-L480 PolarHBondContact O-N 2.93Å; R477-E481 PolarHBondContact O-N 2.93Å
478	T	74.4	Confident	73.7	Confident	69 Å²	69	110 Å²	110	42%	0.423	53%	0.525	S	S	.	.	H	α-helix	trans	-66	-31.2	179.1	61.4	0	0	0	0	113.3	A474 A475 Q482	A474-T478 PolarHBondContact O-N 3.4Å; A474-T478 VanDerWaalsContact O-N 3.08Å; A475-T478 PolarHBondContact O-N 3.19Å; A475-T478 PolarHBondContact O-OG1 2.87Å; T478-Q482 VanDerWaalsContact O-CG 3.31Å; T478-Q482 WeakPolarHBondContact O-CG 3.05Å; T478-Q482 PolarHBondContact O-N 3.23Å
479	E	76.9	Confident	73.5	Confident	126 Å²	126	110.1 Å²	110.1	59%	0.589	53%	0.526	S	S	*	.	H	α-helix	trans	-66.4	-43.4	172.3	-69.4	-172.2	149.1	0	0	111.7	A475 R477 Q482 I483	A475-E479 PolarHBondContact O-N 3.13Å; R477-E479 VanDerWaalsContact C-N 3.31Å; R477-E479 PolarHBondContact O-N 3.41Å; E479-Q482 PolarHBondContact O-N 3.09Å; E479-I483 WeakPolarHBondContact O-CG1 2.58Å; E479-I483 PolarHBondContact O-N 3.43Å
480	L	70.8	Confident	73.4	Confident	119 Å²	119	109.4 Å²	109.4	62%	0.623	53%	0.526	S	S	*	.	H	α-helix	trans	-63.6	-41.7	176.3	-71.4	168.9	0	0	0	112.3	K476 R477 I483 Y484	K476-L480 WeakPolarHBondContact O-CG 3.47Å; K476-L480 PolarHBondContact O-N 2.98Å; R477-L480 PolarHBondContact O-N 2.93Å; L480-I483 PolarHBondContact O-N 3.31Å; L480-Y484 PolarHBondContact O-N 3.48Å
481	E	72.5	Confident	73.1	Confident	127 Å²	127	109.1 Å²	109.1	59%	0.593	52%	0.524	S	S	*	.	H	α-helix	trans	-63.3	-39.3	173.9	-73.2	-175	143.3	0	0	112.3	R477 I483 Y484 L485	R477-E481 PolarHBondContact O-N 2.93Å; E481-I483 VanDerWaalsContact C-N 3.34Å; E481-I483 PolarHBondContact O-N 2.99Å; E481-Y484 PolarHBondContact O-N 3.33Å; E481-L485 WeakPolarHBondContact O-CB 2.64Å; E481-L485 WeakPolarHBondContact O-CG 3.41Å; E481-L485 PolarHBondContact O-N 3.14Å
482	Q	74.1	Confident	72.9	Confident	116 Å²	116	106.1 Å²	106.1	54%	0.542	52%	0.515	S	S	.	.	H	α-helix	trans	-65.4	-34.9	174.9	-76.2	179.9	51.4	0	0	112.9	T478 E479 K486	T478-Q482 VanDerWaalsContact O-CG 3.31Å; T478-Q482 WeakPolarHBondContact O-CG 3.05Å; T478-Q482 PolarHBondContact O-N 3.23Å; E479-Q482 PolarHBondContact O-N 3.09Å; Q482-K486 WeakPolarHBondContact O-CB 3.21Å; Q482-K486 WeakPolarHBondContact O-CG 3.41Å; Q482-K486 PolarHBondContact O-N 3.34Å; Q482-K486 VanDerWaalsContact O-N 3.07Å
483	I	75.5	Confident	72.5	Confident	90 Å²	90	107.6 Å²	107.6	46%	0.462	52%	0.522	S	S	.	.	H	α-helix	trans	-67.7	-45.6	174.1	-68.7	165	0	0	0	110.3	E479 L480 E481 K486 Q487	E479-I483 WeakPolarHBondContact O-CG1 2.58Å; E479-I483 PolarHBondContact O-N 3.43Å; L480-I483 PolarHBondContact O-N 3.31Å; E481-I483 VanDerWaalsContact C-N 3.34Å; E481-I483 PolarHBondContact O-N 2.99Å; I483-K486 WeakPolarHBondContact O-CB 3.49Å; I483-K486 PolarHBondContact O-N 3.49Å; I483-Q487 PolarHBondContact O-N 2.95Å
484	Y	72.3	Confident	72.1	Confident	150 Å²	150	106.3 Å²	106.3	59%	0.588	52%	0.521	S	S	*	.	H	α-helix	trans	-60.8	-47.9	176.9	-177.2	-97.9	0	0	0	112.1	L480 E481 K486 Q487 Q488	L480-Y484 PolarHBondContact O-N 3.48Å; E481-Y484 PolarHBondContact O-N 3.33Å; Y484-K486 VanDerWaalsContact C-N 3.28Å; Y484-K486 PolarHBondContact O-N 3.1Å; Y484-Q487 PolarHBondContact O-N 3.43Å; Y484-Q487 VanDerWaalsContact O-N 3.16Å; Y484-Q488 PolarHBondContact O-N 3.47Å
485	L	74.6	Confident	71.7	Confident	80 Å²	80	109.6 Å²	109.6	42%	0.419	53%	0.527	S	S	.	.	H	α-helix	trans	-63.4	-30.8	176.9	-76.5	166	0	0	0	113	E481 R489	E481-L485 WeakPolarHBondContact O-CB 2.64Å; E481-L485 WeakPolarHBondContact O-CG 3.41Å; E481-L485 PolarHBondContact O-N 3.14Å; L485-R489 WeakPolarHBondContact O-CB 3.1Å; L485-R489 WeakPolarHBondContact O-CD 3.33Å; L485-R489 VanDerWaalsContact O-CG 3.23Å; L485-R489 WeakPolarHBondContact O-CG 3.48Å; L485-R489 PolarHBondContact O-N 3.03Å
486	K	73.7	Confident	71.2	Confident	142 Å²	142	109.7 Å²	109.7	62%	0.617	53%	0.528	S	S	*	.	H	α-helix	trans	-66.6	-49.5	170.6	-83.4	175.9	177	172.8	0	111.5	Q482 I483 Y484 Q488 R489 T490	Q482-K486 WeakPolarHBondContact O-CB 3.21Å; Q482-K486 WeakPolarHBondContact O-CG 3.41Å; Q482-K486 PolarHBondContact O-N 3.34Å; Q482-K486 VanDerWaalsContact O-N 3.07Å; I483-K486 WeakPolarHBondContact O-CB 3.49Å; I483-K486 PolarHBondContact O-N 3.49Å; Y484-K486 VanDerWaalsContact C-N 3.28Å; Y484-K486 PolarHBondContact O-N 3.1Å; K486-Q488 VanDerWaalsContact C-N 3.33Å; K486-Q488 PolarHBondContact O-N 2.98Å; K486-R489 PolarHBondContact O-N 3.25Å; K486-T490 PolarHBondContact O-N 3.36Å; K486-T490 PolarHBondContact O-OG1 2.95Å
487	Q	66.6	Low	70.9	Confident	119 Å²	119	111 Å²	111	56%	0.556	54%	0.536	S	S	*	.	H	α-helix	trans	-58.6	-44.3	178.5	-71.3	178.8	-11.7	0	0	111.9	I483 Y484 R489 T490 L491	I483-Q487 PolarHBondContact O-N 2.95Å; Y484-Q487 PolarHBondContact O-N 3.43Å; Y484-Q487 VanDerWaalsContact O-N 3.16Å; Q487-R489 PolarHBondContact O-N 3.42Å; Q487-T490 PolarHBondContact O-N 3.02Å; Q487-L491 PolarHBondContact O-N 2.91Å
488	Q	67.4	Low	70.5	Confident	95 Å²	95	109.5 Å²	109.5	44%	0.444	53%	0.534	S	S	.	.	H	α-helix	trans	-62.4	-41	178.1	-166.1	177.4	20.2	0	0	112.3	Y484 K486 L491 T492	Y484-Q488 PolarHBondContact O-N 3.47Å; K486-Q488 VanDerWaalsContact C-N 3.33Å; K486-Q488 PolarHBondContact O-N 2.98Å; Q488-L491 PolarHBondContact O-N 3.43Å; Q488-T492 PolarHBondContact O-N 3.49Å; Q488-T492 VanDerWaalsContact O-N 3.09Å; Q488-T492 PolarHBondContact O-OG1 3.24Å
489	R	71.6	Confident	70.1	Confident	165 Å²	165	113.3 Å²	113.3	62%	0.623	55%	0.547	S	S	*	.	H	α-helix	trans	-63.6	-45.7	175.7	-74.8	171.4	-174	-173.4	3	112.1	L485 K486 Q487 L491 T492 Q493	L485-R489 WeakPolarHBondContact O-CB 3.1Å; L485-R489 WeakPolarHBondContact O-CD 3.33Å; L485-R489 VanDerWaalsContact O-CG 3.23Å; L485-R489 WeakPolarHBondContact O-CG 3.48Å; L485-R489 PolarHBondContact O-N 3.03Å; K486-R489 PolarHBondContact O-N 3.25Å; Q487-R489 PolarHBondContact O-N 3.42Å; R489-L491 VanDerWaalsContact C-N 3.31Å; R489-L491 PolarHBondContact O-N 3.03Å; R489-T492 WeakPolarHBondContact CA-OG1 3.42Å; R489-T492 PolarHBondContact O-N 3.24Å; R489-T492 PolarHBondContact O-OG1 3.1Å; R489-Q493 WeakPolarHBondContact O-CG 3.46Å; R489-Q493 PolarHBondContact O-N 2.65Å
490	T	71.7	Confident	69.7	Low	82 Å²	82	114.5 Å²	114.5	50%	0.503	55%	0.553	S	S	.	*	H	α-helix	trans	-59.3	-42.6	177.4	-53.5	0	0	0	0	111.6	K486 Q487 Q493 T494	K486-T490 PolarHBondContact O-N 3.36Å; K486-T490 PolarHBondContact O-OG1 2.95Å; Q487-T490 PolarHBondContact O-N 3.02Å; T490-Q493 PolarHBondContact O-N 3.2Å; T490-T494 PolarHBondContact O-N 3.08Å; T490-T494 PolarHBondContact O-OG1 3.16Å
491	L	67.9	Low	69.4	Low	108 Å²	108	114 Å²	114	57%	0.565	55%	0.55	S	S	*	*	H	α-helix	trans	-57.9	-53	174.4	-74.9	165.3	0	0	0	111.4	Q487 Q488 R489 Q493 T494 E495	Q487-L491 PolarHBondContact O-N 2.91Å; Q488-L491 PolarHBondContact O-N 3.43Å; R489-L491 VanDerWaalsContact C-N 3.31Å; R489-L491 PolarHBondContact O-N 3.03Å; L491-Q493 PolarHBondContact O-N 2.64Å; L491-T494 PolarHBondContact O-N 3.14Å; L491-T494 VanDerWaalsContact O-N 3.08Å; L491-T494 PolarHBondContact O-OG1 3.27Å; L491-E495 PolarHBondContact O-N 3.5Å
492	T	70.2	Confident	69	Low	75 Å²	75	113.8 Å²	113.8	46%	0.46	55%	0.551	S	S	.	*	H	α-helix	trans	-61.1	-30	179.4	54.3	0	0	0	0	113.8	Q488 R489 A496	Q488-T492 PolarHBondContact O-N 3.49Å; Q488-T492 VanDerWaalsContact O-N 3.09Å; Q488-T492 PolarHBondContact O-OG1 3.24Å; R489-T492 WeakPolarHBondContact CA-OG1 3.42Å; R489-T492 PolarHBondContact O-N 3.24Å; R489-T492 PolarHBondContact O-OG1 3.1Å; T492-A496 WeakPolarHBondContact O-CB 3.46Å; T492-A496 PolarHBondContact O-N 3.36Å
493	Q	68.8	Low	68.6	Low	124 Å²	124	111.1 Å²	111.1	58%	0.579	55%	0.548	S	S	*	.	H	α-helix	trans	-70.1	-45.2	173.6	-71.8	179	-60	0	0	111.4	R489 T490 L491 E495 A496 E497	R489-Q493 WeakPolarHBondContact O-CG 3.46Å; R489-Q493 PolarHBondContact O-N 2.65Å; T490-Q493 PolarHBondContact O-N 3.2Å; L491-Q493 PolarHBondContact O-N 2.64Å; Q493-E495 VanDerWaalsContact C-N 3.26Å; Q493-E495 PolarHBondContact O-N 3.03Å; Q493-A496 PolarHBondContact O-N 3.11Å; Q493-E497 WeakPolarHBondContact O-CG 3.49Å; Q493-E497 PolarHBondContact O-N 3.28Å
494	T	66.3	Low	68.2	Low	71 Å²	71	111.8 Å²	111.8	44%	0.436	55%	0.55	S	S	.	.	H	α-helix	trans	-67.2	-24.5	176.4	56.5	0	0	0	0	113.8	T490 L491 K498	T490-T494 PolarHBondContact O-N 3.08Å; T490-T494 PolarHBondContact O-OG1 3.16Å; L491-T494 PolarHBondContact O-N 3.14Å; L491-T494 VanDerWaalsContact O-N 3.08Å; L491-T494 PolarHBondContact O-OG1 3.27Å; T494-K498 WeakPolarHBondContact O-CB 3.35Å; T494-K498 PolarHBondContact O-N 3.41Å
495	E	65.9	Low	67.8	Low	121 Å²	121	111 Å²	111	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-75.6	-43.1	171.5	-70.4	178.6	142.4	0	0	111.2	L491 Q493 K498 E499	L491-E495 PolarHBondContact O-N 3.5Å; Q493-E495 VanDerWaalsContact C-N 3.26Å; Q493-E495 PolarHBondContact O-N 3.03Å; E495-K498 WeakPolarHBondContact O-CB 3.31Å; E495-K498 PolarHBondContact O-N 3.47Å; E495-E499 PolarHBondContact O-N 3.14Å
496	A	68	Low	67.5	Low	51 Å²	51	111.1 Å²	111.1	42%	0.421	55%	0.552	S	S	.	*	H	α-helix	trans	-63.3	-45.5	176.8	0	0	0	0	0	113.1	T492 Q493 K498 E499 E500	T492-A496 WeakPolarHBondContact O-CB 3.46Å; T492-A496 PolarHBondContact O-N 3.36Å; Q493-A496 PolarHBondContact O-N 3.11Å; A496-K498 PolarHBondContact O-N 2.96Å; A496-E499 PolarHBondContact O-N 3.09Å; A496-E499 VanDerWaalsContact O-N 3.09Å; A496-E500 PolarHBondContact O-N 3.4Å
497	E	67.4	Low	67.2	Low	123 Å²	123	106.8 Å²	106.8	58%	0.575	54%	0.542	S	S	*	.	H	α-helix	trans	-57.3	-35.2	174.7	-72.7	177.7	164.6	0	0	111.8	Q493 L501	Q493-E497 WeakPolarHBondContact O-CG 3.49Å; Q493-E497 PolarHBondContact O-N 3.28Å; E497-L501 VanDerWaalsContact O-CG 3.31Å; E497-L501 WeakPolarHBondContact O-CG 3.49Å; E497-L501 PolarHBondContact O-N 3.49Å; E497-L501 VanDerWaalsContact O-N 3.13Å
498	K	64.3	Low	67.1	Low	147 Å²	147	106.3 Å²	106.3	64%	0.639	54%	0.539	S	S	*	.	H	α-helix	trans	-73.4	-35.2	177.8	-170.9	-178.4	179	-173.1	0	112.2	T494 E495 A496 M502	T494-K498 WeakPolarHBondContact O-CB 3.35Å; T494-K498 PolarHBondContact O-N 3.41Å; E495-K498 WeakPolarHBondContact O-CB 3.31Å; E495-K498 PolarHBondContact O-N 3.47Å; A496-K498 PolarHBondContact O-N 2.96Å; K498-M502 WeakPolarHBondContact O-CB 3.3Å; K498-M502 WeakPolarHBondContact O-CG 3.12Å; K498-M502 PolarHBondContact O-N 2.95Å
499	E	65.3	Low	66.9	Low	149 Å²	149	107.2 Å²	107.2	70%	0.696	54%	0.543	S	S	*	.	H	α-helix	trans	-69.9	-38.9	173.3	-70.1	-163.1	150.9	0	0	112.4	E495 A496 M502 A503	E495-E499 PolarHBondContact O-N 3.14Å; A496-E499 PolarHBondContact O-N 3.09Å; A496-E499 VanDerWaalsContact O-N 3.09Å; E499-M502 PolarHBondContact O-N 3.46Å; E499-A503 WeakPolarHBondContact O-CB 3.4Å; E499-A503 PolarHBondContact O-N 3.19Å
500	E	68.5	Low	66.7	Low	150 Å²	150	107.3 Å²	107.3	70%	0.701	54%	0.543	S	S	*	.	H	α-helix	trans	-62.6	-44.5	173.5	-71.9	-164.8	133.7	0	0	112	A496 M502 A503 E504	A496-E500 PolarHBondContact O-N 3.4Å; E500-M502 VanDerWaalsContact C-N 3.32Å; E500-M502 PolarHBondContact O-N 3.01Å; E500-A503 PolarHBondContact O-N 3.03Å; E500-E504 PolarHBondContact O-N 3.08Å
501	L	66.1	Low	66.5	Low	108 Å²	108	110.2 Å²	110.2	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-63.7	-35.8	175.7	-72.9	169.4	0	0	0	112.7	E497 Q505	E497-L501 VanDerWaalsContact O-CG 3.31Å; E497-L501 WeakPolarHBondContact O-CG 3.49Å; E497-L501 PolarHBondContact O-N 3.49Å; E497-L501 VanDerWaalsContact O-N 3.13Å; L501-Q505 WeakPolarHBondContact O-CG 3.41Å; L501-Q505 PolarHBondContact O-N 3.4Å
502	M	63.2	Low	66.2	Low	123 Å²	123	111.2 Å²	111.2	61%	0.606	56%	0.556	S	S	*	*	H	α-helix	trans	-67.6	-39.8	172.7	-72.9	-86	-71.6	0	0	111.8	K498 E499 E500 Q505 L506	K498-M502 WeakPolarHBondContact O-CB 3.3Å; K498-M502 WeakPolarHBondContact O-CG 3.12Å; K498-M502 PolarHBondContact O-N 2.95Å; E499-M502 PolarHBondContact O-N 3.46Å; E500-M502 VanDerWaalsContact C-N 3.32Å; E500-M502 PolarHBondContact O-N 3.01Å; M502-Q505 PolarHBondContact O-N 3.35Å; M502-L506 WeakPolarHBondContact O-CB 3.49Å; M502-L506 PolarHBondContact O-N 2.97Å
503	A	66.6	Low	65.8	Low	60 Å²	60	113.2 Å²	113.2	50%	0.496	56%	0.561	S	S	.	*	H	α-helix	trans	-65.7	-40.3	177	0	0	0	0	0	112.2	E499 E500 L506 A507	E499-A503 WeakPolarHBondContact O-CB 3.4Å; E499-A503 PolarHBondContact O-N 3.19Å; E500-A503 PolarHBondContact O-N 3.03Å; A503-L506 PolarHBondContact O-N 3.04Å; A503-A507 WeakPolarHBondContact O-CB 3.44Å; A503-A507 PolarHBondContact O-N 3.22Å
504	E	66.7	Low	65.8	Low	104 Å²	104	109.7 Å²	109.7	49%	0.486	55%	0.553	S	S	.	*	H	α-helix	trans	-58	-45.5	171.1	-94.4	-131.8	127.6	0	0	112.4	E500 A507 K508	E500-E504 PolarHBondContact O-N 3.08Å; E504-A507 PolarHBondContact O-N 3.29Å; E504-K508 WeakPolarHBondContact O-CD 3.49Å; E504-K508 WeakPolarHBondContact O-CG 3.41Å; E504-K508 PolarHBondContact O-N 3.49Å; E504-K508 VanDerWaalsContact O-N 3.1Å; E504-K508 IonicContact OE1-NZ 3.45Å; E504-K508 PolarHBondContact OE1-NZ 3.21Å; E504-K508 IonicContact OE2-NZ 2.75Å; E504-K508 PolarHBondContact OE2-NZ 3.29Å
505	Q	62.6	Low	65.4	Low	134 Å²	134	108.5 Å²	108.5	63%	0.626	55%	0.55	S	S	*	.	H	α-helix	trans	-63.8	-46.1	178.2	-72.9	-175.9	14.8	0	0	111.1	L501 M502 A507 K508 E509	L501-Q505 WeakPolarHBondContact O-CG 3.41Å; L501-Q505 PolarHBondContact O-N 3.4Å; M502-Q505 PolarHBondContact O-N 3.35Å; Q505-A507 VanDerWaalsContact C-N 3.28Å; Q505-A507 PolarHBondContact O-N 3.24Å; Q505-K508 PolarHBondContact O-N 3.16Å; Q505-E509 WeakPolarHBondContact O-CB 3.34Å; Q505-E509 PolarHBondContact O-N 3.01Å
506	L	68.1	Low	64.8	Low	83 Å²	83	106 Å²	106	44%	0.435	55%	0.546	S	S	.	.	H	α-helix	trans	-64.7	-31.8	179.2	-156.8	80	0	0	0	112.5	M502 A503 R510	M502-L506 WeakPolarHBondContact O-CB 3.49Å; M502-L506 PolarHBondContact O-N 2.97Å; A503-L506 PolarHBondContact O-N 3.04Å; L506-R510 WeakPolarHBondContact O-CD 3.48Å; L506-R510 WeakPolarHBondContact O-CG 3.5Å; L506-R510 PolarHBondContact O-N 3.25Å; L506-R510 VanDerWaalsContact O-N 3.09Å
507	A	69	Low	64.4	Low	50 Å²	50	108.6 Å²	108.6	41%	0.413	55%	0.549	S	S	.	.	H	α-helix	trans	-66.3	-50.2	172.7	0	0	0	0	0	111.5	A503 E504 Q505 E509 R510 E511	A503-A507 WeakPolarHBondContact O-CB 3.44Å; A503-A507 PolarHBondContact O-N 3.22Å; E504-A507 PolarHBondContact O-N 3.29Å; Q505-A507 VanDerWaalsContact C-N 3.28Å; Q505-A507 PolarHBondContact O-N 3.24Å; A507-E509 VanDerWaalsContact C-N 3.29Å; A507-E509 PolarHBondContact O-N 2.89Å; A507-R510 WeakPolarHBondContact O-CB 3.46Å; A507-R510 PolarHBondContact O-N 3.17Å; A507-R510 VanDerWaalsContact O-N 3.17Å; A507-E511 PolarHBondContact O-N 3.28Å; A507-E511 VanDerWaalsContact O-N 3.08Å
508	K	64	Low	64	Low	109 Å²	109	104.8 Å²	104.8	47%	0.474	53%	0.531	S	S	.	.	H	α-helix	trans	-61.6	-36.3	177.9	-69.9	161.1	-171.5	166.6	0	111.7	E504 Q505 E511 L512	E504-K508 WeakPolarHBondContact O-CD 3.49Å; E504-K508 WeakPolarHBondContact O-CG 3.41Å; E504-K508 PolarHBondContact O-N 3.49Å; E504-K508 VanDerWaalsContact O-N 3.1Å; E504-K508 IonicContact OE1-NZ 3.45Å; E504-K508 PolarHBondContact OE1-NZ 3.21Å; E504-K508 IonicContact OE2-NZ 2.75Å; E504-K508 PolarHBondContact OE2-NZ 3.29Å; Q505-K508 PolarHBondContact O-N 3.16Å; K508-E511 PolarHBondContact O-N 3.16Å; K508-L512 WeakPolarHBondContact O-CB 3.37Å; K508-L512 PolarHBondContact O-N 3.33Å; K508-L512 VanDerWaalsContact O-N 3.14Å
509	E	63.4	Low	63.5	Low	115 Å²	115	102.6 Å²	102.6	54%	0.537	53%	0.526	S	S	.	.	H	α-helix	trans	-69.7	-36.7	175.7	-168.2	172.3	-130.2	0	0	112.8	Q505 A507 L512 Q513	Q505-E509 WeakPolarHBondContact O-CB 3.34Å; Q505-E509 PolarHBondContact O-N 3.01Å; A507-E509 VanDerWaalsContact C-N 3.29Å; A507-E509 PolarHBondContact O-N 2.89Å; E509-L512 PolarHBondContact O-N 3.35Å; E509-Q513 PolarHBondContact O-N 2.98Å
510	R	67.3	Low	63.3	Low	167 Å²	167	99.1 Å²	99.1	63%	0.63	51%	0.512	S	S	*	.	H	α-helix	trans	-65.2	-40.2	173.2	-75.1	166.1	-179.8	-178.6	0.9	112.5	L506 A507 L512 Q513 A514	L506-R510 WeakPolarHBondContact O-CD 3.48Å; L506-R510 WeakPolarHBondContact O-CG 3.5Å; L506-R510 PolarHBondContact O-N 3.25Å; L506-R510 VanDerWaalsContact O-N 3.09Å; A507-R510 WeakPolarHBondContact O-CB 3.46Å; A507-R510 PolarHBondContact O-N 3.17Å; A507-R510 VanDerWaalsContact O-N 3.17Å; R510-L512 VanDerWaalsContact C-N 3.29Å; R510-L512 PolarHBondContact O-N 2.88Å; R510-Q513 PolarHBondContact O-N 2.94Å; R510-A514 WeakPolarHBondContact O-CB 3.34Å; R510-A514 PolarHBondContact O-N 3.28Å
511	E	67.6	Low	63	Low	143 Å²	143	95.8 Å²	95.8	67%	0.668	49%	0.493	S	S	*	.	H	α-helix	trans	-61.8	-39.1	173	-68.6	-174	153.2	0	0	111.5	A507 K508 A514 A515	A507-E511 PolarHBondContact O-N 3.28Å; A507-E511 VanDerWaalsContact O-N 3.08Å; K508-E511 PolarHBondContact O-N 3.16Å; E511-A514 WeakPolarHBondContact O-CB 3.44Å; E511-A514 PolarHBondContact O-N 3.21Å; E511-A515 WeakPolarHBondContact O-CB 3.3Å; E511-A515 PolarHBondContact O-N 3.38Å
512	L	60.8	Low	62.5	Low	129 Å²	129	94.3 Å²	94.3	68%	0.675	49%	0.486	S	S	*	.	H	α-helix	trans	-72.8	-38.4	179.9	-156.3	149.2	0	0	0	112.4	K508 E509 R510 A515 S516	K508-L512 WeakPolarHBondContact O-CB 3.37Å; K508-L512 PolarHBondContact O-N 3.33Å; K508-L512 VanDerWaalsContact O-N 3.14Å; E509-L512 PolarHBondContact O-N 3.35Å; R510-L512 VanDerWaalsContact C-N 3.29Å; R510-L512 PolarHBondContact O-N 2.88Å; L512-A515 PolarHBondContact O-N 2.67Å; L512-S516 PolarHBondContact O-N 3.23Å
513	Q	62.6	Low	62.1	Low	117 Å²	117	93.8 Å²	93.8	55%	0.547	48%	0.482	S	S	.	.	H	α-helix	trans	-63	-43.5	168.4	-76.2	-167.4	1.9	0	0	111.9	E509 R510 A515 S516 Q517	E509-Q513 PolarHBondContact O-N 2.98Å; R510-Q513 PolarHBondContact O-N 2.94Å; Q513-A515 VanDerWaalsContact C-N 3.34Å; Q513-A515 PolarHBondContact O-N 3.28Å; Q513-S516 PolarHBondContact O-N 3.05Å; Q513-Q517 WeakPolarHBondContact O-CG 3.46Å; Q513-Q517 PolarHBondContact O-N 3.48Å
514	A	68.1	Low	61.7	Low	50 Å²	50	96.3 Å²	96.3	41%	0.413	48%	0.482	S	S	.	.	H	α-helix	trans	-57	-49.9	175.8	0	0	0	0	0	110.2	R510 E511 S516 Q517 Q518	R510-A514 WeakPolarHBondContact O-CB 3.34Å; R510-A514 PolarHBondContact O-N 3.28Å; E511-A514 WeakPolarHBondContact O-CB 3.44Å; E511-A514 PolarHBondContact O-N 3.21Å; A514-S516 VanDerWaalsContact C-N 3.31Å; A514-S516 PolarHBondContact O-N 3.01Å; A514-Q517 PolarHBondContact O-N 3.03Å; A514-Q518 WeakPolarHBondContact O-CG 3.23Å; A514-Q518 PolarHBondContact O-N 3.06Å
515	A	57.3	Low	61.4	Low	45 Å²	45	97.3 Å²	97.3	37%	0.372	49%	0.486	S	S	.	.	H	α-helix	trans	-57.4	-37.8	176.9	0	0	0	0	0	113.6	E511 L512 Q513 Q518	E511-A515 WeakPolarHBondContact O-CB 3.3Å; E511-A515 PolarHBondContact O-N 3.38Å; L512-A515 PolarHBondContact O-N 2.67Å; Q513-A515 VanDerWaalsContact C-N 3.34Å; Q513-A515 PolarHBondContact O-N 3.28Å; A515-Q518 WeakPolarHBondContact O-CB 3.37Å; A515-Q518 PolarHBondContact O-N 3.21Å
516	S	54	Low	60.9	Low	70 Å²	70	99.8 Å²	99.8	49%	0.49	49%	0.49	S	S	.	.	H	α-helix	trans	-68.5	-42.2	177.1	-170.1	0	0	0	0	112.5	L512 Q513 A514 Q518 L519 D520	L512-S516 PolarHBondContact O-N 3.23Å; Q513-S516 PolarHBondContact O-N 3.05Å; A514-S516 VanDerWaalsContact C-N 3.31Å; A514-S516 PolarHBondContact O-N 3.01Å; S516-Q518 PolarHBondContact O-N 3.01Å; S516-L519 PolarHBondContact O-N 3.34Å; S516-D520 PolarHBondContact O-N 3.09Å
517	Q	59.3	Low	60.3	Low	105 Å²	105	102 Å²	102	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-64.9	-8.3	173.3	-64.1	-177.9	11.8	0	0	114	Q513 A514 R521 H568	Q513-Q517 WeakPolarHBondContact O-CG 3.46Å; Q513-Q517 PolarHBondContact O-N 3.48Å; A514-Q517 PolarHBondContact O-N 3.03Å; Q517-R521 PolarHBondContact O-NE 3.42Å; Q517-H568 PolarHBondContact O-NE2 3.14Å
518	Q	58.9	Low	59.6	Low	42 Å²	42	100.8 Å²	100.8	20%	0.196	49%	0.491	C	S	.	.	H	α-helix	trans	-90.5	-5.8	172.5	-38.3	-174.2	-53.7	0	0	113.2	A514 A515 S516 L522 H568 K569	A514-Q518 WeakPolarHBondContact O-CG 3.23Å; A514-Q518 PolarHBondContact O-N 3.06Å; A515-Q518 WeakPolarHBondContact O-CB 3.37Å; A515-Q518 PolarHBondContact O-N 3.21Å; S516-Q518 PolarHBondContact O-N 3.01Å; Q518-L522 VanDerWaalsContact O-CD1 3.3Å; Q518-L522 WeakPolarHBondContact O-CD1 3.48Å; Q518-H568 HydrophobicContact CB-CB 4.23Å; Q518-H568 HydrophobicContact CG-CB 4.44Å; Q518-K569 HydrophobicContact CB-CD 4.18Å; Q518-K569 HydrophobicContact CB-CG 4.1Å; Q518-K569 HydrophobicContact CG-CG 4.41Å; Q518-K569 PolarHBondContact O-NZ 2.95Å
519	L	55.3	Low	59.1	Low	101 Å²	101	98.7 Å²	98.7	53%	0.529	49%	0.493	S	S	.	.	H	α-helix	trans	-96.9	-51.4	171.4	-80.3	155.9	0	0	0	109.7	S516 R521 L522 E523	S516-L519 PolarHBondContact O-N 3.34Å; L519-R521 PolarHBondContact O-N 2.79Å; L519-R521 VanDerWaalsContact O-N 3.14Å; L519-L522 PolarHBondContact O-N 3.07Å; L519-E523 PolarHBondContact O-N 3.34Å
520	D	60.1	Low	58.3	Low	77 Å²	77	98.7 Å²	98.7	41%	0.412	50%	0.497	S	S	.	.	H	α-helix	trans	-56.2	-33.9	-177.7	-179.3	66.3	0	0	0	114	S516 K524	S516-D520 PolarHBondContact O-N 3.09Å; D520-K524 WeakPolarHBondContact O-CG 3.4Å; D520-K524 PolarHBondContact O-N 3.04Å; D520-K524 VanDerWaalsContact O-N 3.14Å; D520-K524 IonicContact OD1-NZ 3.73Å; D520-K524 PolarHBondContact OD1-NZ 3.46Å; D520-K524 IonicContact OD2-NZ 2.69Å; D520-K524 PolarHBondContact OD2-NZ 3.23Å
521	R	62.6	Low	57.7	Low	80 Å²	80	97.3 Å²	97.3	30%	0.302	50%	0.497	S	S	.	.	H	α-helix	trans	-69	-41.4	173.9	-83.4	-179.8	-93.9	-156.3	-13.8	112.9	Q517 L519 E523 K524 E525 P566 H568	Q517-R521 PolarHBondContact O-NE 3.42Å; L519-R521 PolarHBondContact O-N 2.79Å; L519-R521 VanDerWaalsContact O-N 3.14Å; R521-E523 VanDerWaalsContact C-N 3.33Å; R521-K524 PolarHBondContact O-N 3.08Å; R521-E525 WeakPolarHBondContact O-CG 3.5Å; R521-E525 PolarHBondContact O-N 3.41Å; R521-P566 WeakPolarHBondContact CD-O 3.29Å; R521-P566 PolarHBondContact NH1-O 3.14Å; R521-H568 WeakPolarHBondContact CB-CE1 3.5Å; R521-H568 WeakPolarHBondContact CB-NE2 3.45Å; R521-H568 WeakPolarHBondContact CD-NE2 3.45Å; R521-H568 WeakPolarHBondContact CG-NE2 3.43Å; R521-H568 PolarHBondContact NE-NE2 3.37Å
522	L	56.3	Low	56.9	Low	77 Å²	77	97.3 Å²	97.3	40%	0.403	50%	0.497	S	S	.	.	H	α-helix	trans	-69.2	-31.9	177.6	-66.4	171.6	0	0	0	111.8	Q518 L519 R526 H568	Q518-L522 VanDerWaalsContact O-CD1 3.3Å; Q518-L522 WeakPolarHBondContact O-CD1 3.48Å; L519-L522 PolarHBondContact O-N 3.07Å; L522-R526 WeakPolarHBondContact O-CB 3.36Å; L522-R526 PolarHBondContact O-N 3.07Å; L522-R526 VanDerWaalsContact O-N 3.1Å; L522-H568 VanDerWaalsContact CD2-CE1 3.49Å; L522-H568 WeakPolarHBondContact CD2-CE1 3.37Å; L522-H568 WeakPolarHBondContact CG-CE1 3.46Å; L522-H568 PolarHBondContact N-CE1 3.04Å
523	E	53.1	Low	56.5	Low	111 Å²	111	100.6 Å²	100.6	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-71.7	-35.8	174	-66.3	-162	111.8	0	0	112.6	L519 R521 R526 Q527	L519-E523 PolarHBondContact O-N 3.34Å; R521-E523 VanDerWaalsContact C-N 3.33Å; E523-R526 WeakPolarHBondContact O-CB 2.96Å; E523-R526 PolarHBondContact O-N 3.27Å; E523-Q527 PolarHBondContact O-N 3.12Å
524	K	59.4	Low	56	Low	114 Å²	114	101.1 Å²	101.1	50%	0.496	50%	0.504	S	S	.	.	H	α-helix	trans	-67.4	-38.8	172.6	-74.9	178.6	174	72.8	0	112.7	D520 R521 R526 Q527 G528	D520-K524 WeakPolarHBondContact O-CG 3.4Å; D520-K524 PolarHBondContact O-N 3.04Å; D520-K524 VanDerWaalsContact O-N 3.14Å; D520-K524 IonicContact OD1-NZ 3.73Å; D520-K524 PolarHBondContact OD1-NZ 3.46Å; D520-K524 IonicContact OD2-NZ 2.69Å; D520-K524 PolarHBondContact OD2-NZ 3.23Å; R521-K524 PolarHBondContact O-N 3.08Å; K524-R526 VanDerWaalsContact C-N 3.33Å; K524-R526 PolarHBondContact O-N 3.4Å; K524-Q527 PolarHBondContact O-N 3.28Å; K524-G528 PolarHBondContact O-N 2.92Å
525	E	59.5	Low	55	Low	124 Å²	124	101.8 Å²	101.8	58%	0.579	50%	0.499	S	S	*	.	H	α-helix	trans	-60.1	-42.7	171.4	-74.2	170.5	-172.6	0	0	111.5	R521 Q527 G528 A529	R521-E525 WeakPolarHBondContact O-CG 3.5Å; R521-E525 PolarHBondContact O-N 3.41Å; E525-Q527 PolarHBondContact O-N 3.05Å; E525-G528 PolarHBondContact O-N 3.16Å; E525-A529 PolarHBondContact O-N 3.26Å; E525-A529 VanDerWaalsContact O-N 3.14Å
526	R	51.8	Low	55	Low	187 Å²	187	104.3 Å²	104.3	71%	0.706	51%	0.51	S	S	*	.	H	α-helix	trans	-62.2	-37.5	174.1	178.7	-176.2	172.5	-159.2	-1.9	113.2	L522 E523 K524	L522-R526 WeakPolarHBondContact O-CB 3.36Å; L522-R526 PolarHBondContact O-N 3.07Å; L522-R526 VanDerWaalsContact O-N 3.1Å; E523-R526 WeakPolarHBondContact O-CB 2.96Å; E523-R526 PolarHBondContact O-N 3.27Å; K524-R526 VanDerWaalsContact C-N 3.33Å; K524-R526 PolarHBondContact O-N 3.4Å
527	Q	55.3	Low	54.6	Low	128 Å²	128	105.1 Å²	105.1	60%	0.598	52%	0.515	S	S	*	.	H	α-helix	trans	-71.8	-44.4	175.9	-76.8	-179.1	-35.6	0	0	112.2	E523 K524 E525 A529 L530 E531	E523-Q527 PolarHBondContact O-N 3.12Å; K524-Q527 PolarHBondContact O-N 3.28Å; E525-Q527 PolarHBondContact O-N 3.05Å; Q527-A529 VanDerWaalsContact C-N 3.29Å; Q527-A529 PolarHBondContact O-N 3.45Å; Q527-L530 WeakPolarHBondContact O-CA 3.48Å; Q527-L530 VanDerWaalsContact O-CB 3.29Å; Q527-L530 WeakPolarHBondContact O-CB 3.41Å; Q527-L530 PolarHBondContact O-N 3.16Å; Q527-E531 PolarHBondContact O-N 2.72Å; Q527-E531 VanDerWaalsContact O-N 3.09Å
528	G	54.2	Low	54.2	Low	26 Å²	26	106.4 Å²	106.4	27%	0.268	52%	0.516	S	S	.	.	H	α-helix	trans	-59.9	-37.4	178.5	0	0	0	0	0	113.3	K524 E525 L530 Q532	K524-G528 PolarHBondContact O-N 2.92Å; E525-G528 PolarHBondContact O-N 3.16Å; G528-L530 VanDerWaalsContact C-N 3.27Å; G528-L530 PolarHBondContact O-N 3.28Å; G528-Q532 WeakPolarHBondContact O-CG 3.35Å; G528-Q532 PolarHBondContact O-N 3.46Å; G528-Q532 VanDerWaalsContact O-N 3.16Å
529	A	54.5	Low	53.5	Low	64 Å²	64	110.6 Å²	110.6	53%	0.529	53%	0.533	S	S	.	.	H	α-helix	trans	-63.1	-31.7	172.7	0	0	0	0	0	113.2	E525 Q527	E525-A529 PolarHBondContact O-N 3.26Å; E525-A529 VanDerWaalsContact O-N 3.14Å; Q527-A529 VanDerWaalsContact C-N 3.29Å; Q527-A529 PolarHBondContact O-N 3.45Å
530	L	47.2	Very low	53.4	Low	116 Å²	116	112.5 Å²	112.5	61%	0.607	54%	0.543	S	S	*	.	H	α-helix	trans	-75.2	-43.3	179.3	-138.4	81.8	0	0	0	111.9	Q527 G528 Y533 Q534	Q527-L530 WeakPolarHBondContact O-CA 3.48Å; Q527-L530 VanDerWaalsContact O-CB 3.29Å; Q527-L530 WeakPolarHBondContact O-CB 3.41Å; Q527-L530 PolarHBondContact O-N 3.16Å; G528-L530 VanDerWaalsContact C-N 3.27Å; G528-L530 PolarHBondContact O-N 3.28Å; L530-Y533 PolarHBondContact O-N 3.05Å; L530-Q534 PolarHBondContact O-N 2.98Å
531	E	54.8	Low	52.7	Low	138 Å²	138	116 Å²	116	65%	0.645	56%	0.557	S	S	*	*	H	α-helix	trans	-67.9	-39.7	179.9	-67	-171.2	145.3	0	0	112.1	Q527 Y533 Q534 E535	Q527-E531 PolarHBondContact O-N 2.72Å; Q527-E531 VanDerWaalsContact O-N 3.09Å; E531-Y533 PolarHBondContact O-N 2.66Å; E531-Q534 PolarHBondContact O-N 3.22Å; E531-Q534 VanDerWaalsContact O-N 3.16Å; E531-E535 WeakPolarHBondContact O-CB 3.4Å; E531-E535 PolarHBondContact O-N 3.32Å
532	Q	49.1	Very low	51.7	Low	143 Å²	143	120.7 Å²	120.7	67%	0.668	58%	0.575	S	S	*	*	H	α-helix	trans	-58.7	-35.8	175.9	-73.8	179.3	19	0	0	112.4	G528 E535 V536	G528-Q532 WeakPolarHBondContact O-CG 3.35Å; G528-Q532 PolarHBondContact O-N 3.46Å; G528-Q532 VanDerWaalsContact O-N 3.16Å; Q532-E535 PolarHBondContact O-N 3.05Å; Q532-V536 WeakPolarHBondContact O-CG2 3.49Å; Q532-V536 PolarHBondContact O-N 3.5Å
533	Y	52.5	Low	51.2	Low	198 Å²	198	120.7 Å²	120.7	78%	0.776	59%	0.586	S	S	*	*	H	α-helix	trans	-67	-42	176.6	-166.8	-96.9	0	0	0	112.4	L530 E531	L530-Y533 PolarHBondContact O-N 3.05Å; E531-Y533 PolarHBondContact O-N 2.66Å
534	Q	52.6	Low	50.9	Low	127 Å²	127	119.6 Å²	119.6	59%	0.593	60%	0.596	S	S	*	*	H	α-helix	trans	-69.4	-34.2	176.5	-63.9	-174.7	0.5	0	0	112.4	L530 E531 S537 R538	L530-Q534 PolarHBondContact O-N 2.98Å; E531-Q534 PolarHBondContact O-N 3.22Å; E531-Q534 VanDerWaalsContact O-N 3.16Å; Q534-S537 WeakPolarHBondContact O-CB 3.48Å; Q534-S537 PolarHBondContact O-N 3.29Å; Q534-R538 PolarHBondContact O-N 3.4Å
535	E	48.3	Very low	50	Low	64 Å²	64	120.7 Å²	120.7	30%	0.299	61%	0.607	S	S	.	*	H	α-helix	trans	-67.8	-34.9	-178.7	-175.8	64.1	-179.1	0	0	113.1	E531 Q532 R538 K539	E531-E535 WeakPolarHBondContact O-CB 3.4Å; E531-E535 PolarHBondContact O-N 3.32Å; Q532-E535 PolarHBondContact O-N 3.05Å; E535-R538 IonicContact OE2-CZ 2.88Å; E535-R538 IonicContact OE2-NE 3.02Å; E535-R538 PolarHBondContact OE2-NE 3.37Å; E535-R538 IonicContact OE2-NH2 2.69Å; E535-R538 PolarHBondContact OE2-NH2 3.16Å; E535-K539 HydrophobicContact CG-CD 4.38Å; E535-K539 VanDerWaalsContact CG-NZ 3.26Å; E535-K539 WeakPolarHBondContact O-CG 3.43Å; E535-K539 WeakPolarHBondContact OE1-CE 3.11Å; E535-K539 IonicContact OE1-NZ 3.73Å; E535-K539 PolarHBondContact OE1-NZ 3.4Å
536	V	56.4	Low	48.9	Very low	98 Å²	98	124 Å²	124	59%	0.594	62%	0.619	S	S	*	*	H	α-helix	trans	-64.5	-42.3	172.9	171	0	0	0	0	111	Q532 R538 K539	Q532-V536 WeakPolarHBondContact O-CG2 3.49Å; Q532-V536 PolarHBondContact O-N 3.5Å; V536-R538 PolarHBondContact O-N 3.32Å; V536-K539 PolarHBondContact O-N 3.04Å; V536-K539 VanDerWaalsContact O-N 3.12Å
537	S	46.1	Very low	49	Very low	87 Å²	87	121.9 Å²	121.9	61%	0.608	63%	0.628	S	S	*	*	H	α-helix	trans	-58.3	-45.5	-178.9	-161.7	0	0	0	0	112.3	Q534 K539	Q534-S537 WeakPolarHBondContact O-CB 3.48Å; Q534-S537 PolarHBondContact O-N 3.29Å; S537-K539 VanDerWaalsContact C-N 3.28Å; S537-K539 PolarHBondContact O-N 3.09Å
538	R	49.7	Very low	48.4	Very low	133 Å²	133	125.2 Å²	125.2	50%	0.502	64%	0.64	S	S	.	*	H	α-helix	trans	-67.2	-21.8	177.8	-63.5	-166.2	-60.1	-179.8	-1.4	114.7	Q534 E535 V536	Q534-R538 PolarHBondContact O-N 3.4Å; E535-R538 IonicContact OE2-CZ 2.88Å; E535-R538 IonicContact OE2-NE 3.02Å; E535-R538 PolarHBondContact OE2-NE 3.37Å; E535-R538 IonicContact OE2-NH2 2.69Å; E535-R538 PolarHBondContact OE2-NH2 3.16Å; V536-R538 PolarHBondContact O-N 3.32Å
539	K	45.2	Very low	47.7	Very low	129 Å²	129	129.9 Å²	129.9	56%	0.561	66%	0.664	S	S	*	*	H	α-helix	trans	-83.4	-26.4	-172.8	-78.9	172.4	180	163.9	0	113.3	E535 V536 S537	E535-K539 HydrophobicContact CG-CD 4.38Å; E535-K539 VanDerWaalsContact CG-NZ 3.26Å; E535-K539 WeakPolarHBondContact O-CG 3.43Å; E535-K539 WeakPolarHBondContact OE1-CE 3.11Å; E535-K539 IonicContact OE1-NZ 3.73Å; E535-K539 PolarHBondContact OE1-NZ 3.4Å; V536-K539 PolarHBondContact O-N 3.04Å; V536-K539 VanDerWaalsContact O-N 3.12Å; S537-K539 VanDerWaalsContact C-N 3.28Å; S537-K539 PolarHBondContact O-N 3.09Å
540	L	53.7	Low	47	Very low	142 Å²	142	136.8 Å²	136.8	74%	0.743	68%	0.676	S	S	*	*	H	α-helix	trans	-65.7	-46.8	169.1	-95.7	151.5	0	0	0	111.9	R542 A543	L540-R542 VanDerWaalsContact C-N 3.3Å; L540-R542 PolarHBondContact O-N 2.94Å; L540-A543 PolarHBondContact O-N 3.32Å
541	E	45	Very low	46.9	Very low	150 Å²	150	141.6 Å²	141.6	70%	0.701	69%	0.692	S	S	*	*	H	α-helix	trans	-63.3	-31.3	-173.1	-168.6	178.9	-128	0	0	113.9
542	R	41.9	Very low	46.2	Very low	179 Å²	179	139.3 Å²	139.3	68%	0.675	69%	0.685	S	S	*	*	H	α-helix	trans	-89.3	-16.8	-175.6	-66.8	179.5	177.2	-174	-2.7	114.5	L540 A544	L540-R542 VanDerWaalsContact C-N 3.3Å; L540-R542 PolarHBondContact O-N 2.94Å; R542-A544 VanDerWaalsContact C-N 3.32Å; R542-A544 PolarHBondContact O-N 3.24Å
543	A	45.2	Very low	45.7	Very low	76 Å²	76	139.5 Å²	139.5	63%	0.628	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-25.7	-172.7	0	0	0	0	0	113.8	L540 N545	L540-A543 PolarHBondContact O-N 3.32Å; A543-N545 PolarHBondContact O-N 2.92Å
544	A	47.3	Very low	45.7	Very low	89 Å²	89	136.9 Å²	136.9	74%	0.736	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-20.2	-173	0	0	0	0	0	115.4	R542	R542-A544 VanDerWaalsContact C-N 3.32Å; R542-A544 PolarHBondContact O-N 3.24Å
545	N	40.8	Very low	45.7	Very low	137 Å²	137	135 Å²	135	73%	0.733	69%	0.693	S	S	*	*	S	Bend	trans	-108.6	-2.5	-152.1	-89.8	-30.1	0	0	0	118.1	A543	A543-N545 PolarHBondContact O-N 2.92Å
546	K	36.4	Very low	45.6	Very low	192 Å²	192	141.7 Å²	141.7	84%	0.835	72%	0.722	S	S	*	*			trans	-133.7	4.4	-166.8	-78.3	-163.7	172.5	-174.6	0	120	K548	K546-K548 VanDerWaalsContact C-N 3.26Å; K546-K548 PolarHBondContact O-N 2.98Å
547	T	51.9	Low	45.2	Very low	144 Å²	144	145.6 Å²	145.6	88%	0.883	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	57.8	-177.6	-38.6	0	0	0	0	113.9
548	K	42.8	Very low	45.1	Very low	197 Å²	197	151 Å²	151	86%	0.857	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.5	-15.1	-177.7	-144.8	177.1	-176.4	179.6	0	118.6	K546	K546-K548 VanDerWaalsContact C-N 3.26Å; K546-K548 PolarHBondContact O-N 2.98Å
549	T	40.8	Very low	45	Very low	125 Å²	125	148.1 Å²	148.1	77%	0.767	76%	0.76	S	S	*	*	S	Bend	trans	-145.3	160.2	-174.6	14.4	0	0	0	0	113.7
550	W	39.4	Very low	45.1	Very low	208 Å²	208	150.6 Å²	150.6	79%	0.788	78%	0.778	S	S	*	*			trans	70.4	48.2	-174.1	-65	85.4	0	0	0	116	D552	W550-D552 VanDerWaalsContact CZ3-O 3.31Å; W550-D552 WeakPolarHBondContact CZ3-O 3.42Å
551	K	44.2	Very low	45	Very low	218 Å²	218	149.9 Å²	149.9	95%	0.948	78%	0.779	S	S	*	*			trans	-81	15.1	150.8	-160.4	-166.8	177.2	-178	0	111.8
552	D	40.8	Very low	45.4	Very low	90 Å²	90	153.8 Å²	153.8	48%	0.481	79%	0.788	S	S	.	*	S	Bend	trans	-142.7	113.7	-152.6	-171.9	27.2	0	0	0	111.9	W550	W550-D552 VanDerWaalsContact CZ3-O 3.31Å; W550-D552 WeakPolarHBondContact CZ3-O 3.42Å
553	K	39.5	Very low	45.8	Very low	146 Å²	146	152.4 Å²	152.4	64%	0.635	79%	0.793	S	S	*	*			trans	59	114.1	-169.9	-56.6	101.1	-167.8	166.8	0	114.4
554	V	52.6	Low	45.8	Very low	144 Å²	144	155.7 Å²	155.7	87%	0.873	80%	0.799	S	S	*	*			cis	73.3	137.1	45.4	-174.7	0	0	0	0	113.2
555	A	52.1	Low	45.7	Very low	86 Å²	86	159.3 Å²	159.3	71%	0.711	80%	0.8	S	S	*	*			trans	106.5	128.5	164.2	0	0	0	0	0	118.3
556	K	45.8	Very low	46.4	Very low	206 Å²	206	157.3 Å²	157.3	90%	0.896	80%	0.795	S	S	*	*			trans	80.7	143.1	158.9	-60.8	179.2	178.4	-176.4	0	119.8
557	H	48.1	Very low	46.4	Very low	179 Å²	179	151 Å²	151	83%	0.829	78%	0.784	S	S	*	*			trans	-92.7	169.3	-155.2	-60.3	-107.4	0	0	0	117.1
558	E	43.8	Very low	45.7	Very low	202 Å²	202	147.7 Å²	147.7	94%	0.944	76%	0.758	S	S	*	*			trans	152	178.4	139.3	-76.4	168.7	-156.7	0	0	114.8
559	G	48.2	Very low	45.8	Very low	71 Å²	71	144.1 Å²	144.1	73%	0.732	74%	0.743	S	S	*	*			trans	-163.5	0	-167.9	0	0	0	0	0	122.2
560	L	47.7	Very low	45.6	Very low	181 Å²	181	142.1 Å²	142.1	95%	0.948	75%	0.746	S	S	*	*				0	0	0	-78.2	161.9	0	0	0	123.6
561	V	49.9	Very low	45.8	Very low	127 Å²	127	137.7 Å²	137.7	77%	0.77	75%	0.754	S	S	*	*				0	0	0	-154.7	0	0	0	0	131.5
562	R	53.4	Low	45.8	Very low	232 Å²	232	136.7 Å²	136.7	88%	0.875	75%	0.753	S	S	*	*				0	0	0	-67.9	171.4	-178.5	179.3	0.2	121.9
563	L	51.2	Low	46.4	Very low	151 Å²	151	143.1 Å²	143.1	79%	0.791	77%	0.77	S	S	*	*				0	0	0	-126.3	171.4	0	0	0	115.3
564	I	44.7	Very low	46.5	Very low	145 Å²	145	142.2 Å²	142.2	74%	0.744	77%	0.771	S	S	*	*				0	0	0	-23.1	165	0	0	0	116.1
565	Q	45.1	Very low	45.8	Very low	165 Å²	165	141.4 Å²	141.4	77%	0.771	77%	0.767	S	S	*	*				0	0	0	-111.3	-138.2	41.7	0	0	119.9
566	P	55.4	Low	45.1	Very low	95 Å²	95	143.3 Å²	143.3	62%	0.617	77%	0.765	S	S	*	*				0	0	0	43.8	-24.9	0	0	0	126.9	R521	R521-P566 WeakPolarHBondContact CD-O 3.29Å; R521-P566 PolarHBondContact NH1-O 3.14Å
567	G	37.4	Very low	44.5	Very low	58 Å²	58	142.3 Å²	142.3	60%	0.598	76%	0.756	S	S	*	*				0	0	0	0	0	0	0	0	121.5
568	H	37.3	Very low	44.6	Very low	75 Å²	75	136.7 Å²	136.7	35%	0.347	75%	0.746	S	S	.	*				0	0	0	-54.6	141.9	0	0	0	115.3	Q517 Q518 R521 L522	Q517-H568 PolarHBondContact O-NE2 3.14Å; Q518-H568 HydrophobicContact CB-CB 4.23Å; Q518-H568 HydrophobicContact CG-CB 4.44Å; R521-H568 WeakPolarHBondContact CB-CE1 3.5Å; R521-H568 WeakPolarHBondContact CB-NE2 3.45Å; R521-H568 WeakPolarHBondContact CD-NE2 3.45Å; R521-H568 WeakPolarHBondContact CG-NE2 3.43Å; R521-H568 PolarHBondContact NE-NE2 3.37Å; L522-H568 VanDerWaalsContact CD2-CE1 3.49Å; L522-H568 WeakPolarHBondContact CD2-CE1 3.37Å; L522-H568 WeakPolarHBondContact CG-CE1 3.46Å; L522-H568 PolarHBondContact N-CE1 3.04Å
569	K	43.5	Very low	44.9	Very low	123 Å²	123	132.4 Å²	132.4	54%	0.535	74%	0.736	S	S	.	*				0	0	0	-123.6	177.3	179.3	145.5	0	119.1	Q518	Q518-K569 HydrophobicContact CB-CD 4.18Å; Q518-K569 HydrophobicContact CB-CG 4.1Å; Q518-K569 HydrophobicContact CG-CG 4.41Å; Q518-K569 PolarHBondContact O-NZ 2.95Å
570	G	37.8	Very low	45.3	Very low	82 Å²	82	134 Å²	134	85%	0.845	74%	0.743	S	S	*	*				0	0	0	0	0	0	0	0	121
571	A	44.1	Very low	45.4	Very low	115 Å²	115	129.8 Å²	129.8	95%	0.95	73%	0.728	S	S	*	*				0	0	0	0	0	0	0	0	119.3
572	Q	43	Very low	45.2	Very low	198 Å²	198	133.3 Å²	133.3	93%	0.925	73%	0.733	S	S	*	*				0	0	0	-137.6	-160.3	-5.5	0	0	126.7
573	R	53.6	Low	45.6	Very low	224 Å²	224	127.3 Å²	127.3	85%	0.845	72%	0.723	S	S	*	*				0	0	0	-58.5	179.4	162.4	-164.1	-2	125.2
574	I	41.3	Very low	45.8	Very low	127 Å²	127	126.4 Å²	126.4	65%	0.651	72%	0.719	S	S	*	*				0	140.1	0	-62.9	153	0	0	0	125.5	W577	I574-W577 HydrophobicContact CG2-CH2 4.45Å; I574-W577 HydrophobicContact CG2-CZ2 4.43Å
575	T	39.4	Very low	46	Very low	127 Å²	127	126.2 Å²	126.2	78%	0.779	72%	0.718	S	S	*	*				156.6	108.7	127.1	52.4	0	0	0	0	115.7	W577	T575-W577 HydrophobicContact CG2-CZ2 4.33Å
576	N	37.3	Very low	46.7	Very low	127 Å²	127	125.8 Å²	125.8	68%	0.679	72%	0.716	S	S	*	*			cis	-143.6	-162.3	-38.1	74.3	-74.9	0	0	0	105.5
577	W	32.4	Very low	46.9	Very low	185 Å²	185	126.2 Å²	126.2	70%	0.701	71%	0.712	S	S	*	*			cis	-148.3	-51.3	-1.8	-60.6	74.4	0	0	0	111	I574 T575	I574-W577 HydrophobicContact CG2-CH2 4.45Å; I574-W577 HydrophobicContact CG2-CZ2 4.43Å; T575-W577 HydrophobicContact CG2-CZ2 4.33Å
578	G	49.2	Very low	47.9	Very low	61 Å²	61	128.3 Å²	128.3	63%	0.629	71%	0.707	S	S	*	*				84.2	179.1	-54	0	0	0	0	0	120.2
579	P	52	Low	48.9	Very low	111 Å²	111	132.1 Å²	132.1	72%	0.721	73%	0.729	S	S	*	*			cis	-139.1	114.9	-36.1	26.4	-4.6	0	0	0	115.3
580	A	56	Low	50.1	Low	106 Å²	106	137 Å²	137	88%	0.876	74%	0.744	S	S	*	*			trans	67.7	179.4	149.6	0	0	0	0	0	117.7
581	S	50.3	Low	51.1	Low	92 Å²	92	139.9 Å²	139.9	64%	0.643	73%	0.733	S	S	*	*			cis	-158.2	146.2	5.8	55.8	0	0	0	0	114
582	F	45.5	Very low	51.8	Low	200 Å²	200	142.9 Å²	142.9	88%	0.877	73%	0.725	S	S	*	*			trans	-145.6	154.9	146.9	-71.9	-71.7	0	0	0	108.2
583	T	60.3	Low	52.6	Low	107 Å²	107	137.5 Å²	137.5	66%	0.656	71%	0.709	S	S	*	*			trans	-141.1	155	-170.7	49.3	0	0	0	0	114.8	I585	T583-I585 VanDerWaalsContact C-N 3.26Å; T583-I585 PolarHBondContact O-N 2.87Å
584	D	55.5	Low	53.2	Low	131 Å²	131	137.7 Å²	137.7	70%	0.701	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	49.9	-166.4	-50.3	-83.3	0	0	0	115.5	L587	D584-L587 HydrophobicContact CB-CD1 4.43Å; D584-L587 HydrophobicContact CB-CD2 4.41Å; D584-L587 VanDerWaalsContact O-CD2 3.28Å; D584-L587 WeakPolarHBondContact O-CD2 3.31Å
585	I	50.7	Low	54.1	Low	142 Å²	142	139.4 Å²	139.4	73%	0.728	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	-35	175.4	-63.8	-178.8	0	0	0	112.8	T583 L587	T583-I585 VanDerWaalsContact C-N 3.26Å; T583-I585 PolarHBondContact O-N 2.87Å; I585-L587 PolarHBondContact O-N 2.89Å
586	E	58.1	Low	55	Low	155 Å²	155	141.5 Å²	141.5	72%	0.724	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-25.6	171.1	-64.3	-175.1	96.6	0	0	111.9	E588	E586-E588 PolarHBondContact O-N 2.65Å
587	L	59.4	Low	56.1	Low	104 Å²	104	144.2 Å²	144.2	55%	0.545	72%	0.722	S	S	.	*	T	Hydrogen-bonded Turn	trans	-3.7	-80.4	151.8	-167.5	78.5	0	0	0	117.9	D584 I585	D584-L587 HydrophobicContact CB-CD1 4.43Å; D584-L587 HydrophobicContact CB-CD2 4.41Å; D584-L587 VanDerWaalsContact O-CD2 3.28Å; D584-L587 WeakPolarHBondContact O-CD2 3.31Å; I585-L587 PolarHBondContact O-N 2.89Å
588	E	59	Low	57	Low	103 Å²	103	144.8 Å²	144.8	48%	0.481	73%	0.729	S	S	.	*	S	Bend	trans	-89.8	-34	-153.8	-88.2	-73.4	105.7	0	0	115.2	E586 R590 K591	E586-E588 PolarHBondContact O-N 2.65Å; E588-R590 PolarHBondContact O-N 2.85Å; E588-K591 PolarHBondContact O-N 3.38Å; E588-K591 WeakPolarHBondContact OE1-CD 3.44Å; E588-K591 WeakPolarHBondContact OE1-CE 3.43Å; E588-K591 IonicContact OE1-NZ 3.4Å; E588-K591 PolarHBondContact OE1-NZ 3.29Å
589	L	57.7	Low	57.3	Low	155 Å²	155	148.8 Å²	148.8	81%	0.812	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-59	-29.2	-166.3	-95.2	160.2	0	0	0	114.1	K591	L589-K591 VanDerWaalsContact C-N 3.26Å; L589-K591 PolarHBondContact O-N 3.39Å
590	R	69.6	Low	57.4	Low	224 Å²	224	153.3 Å²	153.3	85%	0.845	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-67.4	-17.7	179.5	-82.5	-179.3	163.9	128.8	-4	114.4	E588	E588-R590 PolarHBondContact O-N 2.85Å
591	K	59.4	Low	56.9	Low	144 Å²	144	152.2 Å²	152.2	63%	0.626	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-72.3	-32.9	-178	-71.6	177.3	-179.6	168.5	0	114.2	E588 L589	E588-K591 PolarHBondContact O-N 3.38Å; E588-K591 WeakPolarHBondContact OE1-CD 3.44Å; E588-K591 WeakPolarHBondContact OE1-CE 3.43Å; E588-K591 IonicContact OE1-NZ 3.4Å; E588-K591 PolarHBondContact OE1-NZ 3.29Å; L589-K591 VanDerWaalsContact C-N 3.26Å; L589-K591 PolarHBondContact O-N 3.39Å
592	K	58	Low	56.5	Low	178 Å²	178	152.6 Å²	152.6	77%	0.774	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-75.6	-37.8	-169.5	-99.7	-176.7	173.8	-179.9	0	115	W594	K592-W594 PolarHBondContact O-N 3.43Å; K592-W594 VanDerWaalsContact O-N 3.07Å
593	S	59.9	Low	57	Low	85 Å²	85	149.3 Å²	149.3	59%	0.594	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-70.2	-7.9	-165	-175.2	0	0	0	0	116.1
594	W	66.6	Low	56	Low	228 Å²	228	148.9 Å²	148.9	86%	0.864	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-98.1	-25.3	-168.4	-162.2	75.2	0	0	0	114.4	K592 E596	K592-W594 PolarHBondContact O-N 3.43Å; K592-W594 VanDerWaalsContact O-N 3.07Å; W594-E596 PolarHBondContact O-N 3.39Å
595	Q	59.5	Low	55.1	Low	163 Å²	163	155.8 Å²	155.8	76%	0.762	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-22.1	-174.2	-68.7	-178.5	-64.7	0	0	114.1	K597	Q595-K597 PolarHBondContact O-N 2.66Å
596	E	58.6	Low	55.4	Low	171 Å²	171	156.5 Å²	156.5	80%	0.799	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-14.1	-173.8	-63.3	178.1	141.2	0	0	114.3	W594	W594-E596 PolarHBondContact O-N 3.39Å
597	K	60.1	Low	55.2	Low	183 Å²	183	156.5 Å²	156.5	80%	0.796	80%	0.796	S	S	*	*	S	Bend	trans	-105.7	15.3	-157.1	-104	-178.6	179.3	177.8	0	117.8	Q595	Q595-K597 PolarHBondContact O-N 2.66Å
598	K	52.8	Low	55	Low	197 Å²	197	159.4 Å²	159.4	86%	0.857	81%	0.81	S	S	*	*	S	Bend	trans	-141.1	6.1	-178.3	-139	-177.7	177.8	-176.8	0	118.4
599	N	54.2	Low	54.7	Low	146 Å²	146	162.8 Å²	162.8	78%	0.781	83%	0.829	S	S	*	*			trans	-103.1	102.9	173.4	-75.9	-12	0	0	0	110.9
600	Q	54.3	Low	54.6	Low	205 Å²	205	163.3 Å²	163.3	96%	0.958	83%	0.83	S	S	*	*			trans	161.2	158.3	150	-88.2	161.1	23.7	0	0	110.7
601	G	45.6	Very low	53.6	Low	83 Å²	83	159.2 Å²	159.2	86%	0.856	83%	0.829	S	S	*	*			trans	-107.9	-173.5	-158.2	0	0	0	0	0	117.5
602	A	42.8	Very low	53.1	Low	101 Å²	101	160.3 Å²	160.3	84%	0.835	84%	0.844	S	S	*	*			trans	-103.4	161.3	-177.9	0	0	0	0	0	112.6
603	P	55	Low	52.8	Low	131 Å²	131	158.9 Å²	158.9	85%	0.851	85%	0.849	S	S	*	*			trans	-105.3	165.2	-156	39.7	-36.3	0	0	0	116.2
604	A	38.8	Very low	52.2	Low	97 Å²	97	165.1 Å²	165.1	80%	0.802	87%	0.871	S	S	*	*			trans	-148.9	134.9	153.2	0	0	0	0	0	108.8
605	E	37.9	Very low	50.9	Low	276 Å²	276	159.4 Å²	159.4	100%	1.29	87%	0.871	S	S	*	*			trans	48.9	0	-178.3	-60	-167.5	154.7	0	0	117.6

Retrieved 605 of 605 residues in 1214.9 ms (Link to these results)

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