A0A087YAV6_POEFO Loading...

Protein kinase C and casein kinase substrate in neurons 1b

AlphaFold DB , UniProt , Accession A0A087YAV6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 443 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	36	Very low	248 Å²	248	145.9 Å²	145.9	100%	1.222	82%	0.816	S	S	*	*				0	134.7	0	-73.4	-164.5	-177.7	0	0	108	G3	M1-G3 PolarHBondContact O-N 3.16Å
2	S	38.1	Very low	37.2	Very low	122 Å²	122	145.4 Å²	145.4	85%	0.853	80%	0.802	S	S	*	*			trans	-62	112.8	-168.6	46.7	0	0	0	0	113.3	G4	S2-G4 PolarHBondContact O-N 2.75Å
3	G	30.8	Very low	38	Very low	70 Å²	70	147.8 Å²	147.8	72%	0.722	80%	0.804	S	S	*	*			trans	-78.6	110.6	161.2	0	0	0	0	0	108.6	M1 Y5	M1-G3 PolarHBondContact O-N 3.16Å; G3-Y5 PolarHBondContact O-N 3.44Å
4	G	31.4	Very low	39.4	Very low	76 Å²	76	144.4 Å²	144.4	78%	0.784	81%	0.806	S	S	*	*			trans	-59.3	118.1	171.2	0	0	0	0	0	109.2	S2 D6	S2-G4 PolarHBondContact O-N 2.75Å; G4-D6 PolarHBondContact O-N 2.62Å
5	Y	35	Very low	42.1	Very low	211 Å²	211	139.5 Å²	139.5	83%	0.827	78%	0.781	S	S	*	*			trans	-68.4	112.1	162.7	-99.5	-94.3	0	0	0	106.5	G3 E7	G3-Y5 PolarHBondContact O-N 3.44Å; Y5-E7 PolarHBondContact O-N 2.71Å
6	D	36.3	Very low	45.2	Very low	133 Å²	133	137.9 Å²	137.9	71%	0.711	77%	0.77	S	S	*	*			trans	-54.5	104.6	170.2	-106.2	-23.6	0	0	0	109.3	G4 Y8	G4-D6 PolarHBondContact O-N 2.62Å; D6-Y8 HydrophobicContact CB-CD2 3.87Å; D6-Y8 HydrophobicContact CB-CE2 4.41Å; D6-Y8 PolarHBondContact O-N 3.33Å
7	E	35.9	Very low	48.2	Very low	184 Å²	184	132.4 Å²	132.4	86%	0.86	74%	0.743	S	S	*	*			trans	-78	53.5	169.9	-159.3	171.6	-154.1	0	0	108.6	Y5 A9	Y5-E7 PolarHBondContact O-N 2.71Å; E7-A9 PolarHBondContact O-N 2.59Å
8	Y	36	Very low	50.9	Low	194 Å²	194	127.7 Å²	127.7	76%	0.761	71%	0.713	S	S	*	*			trans	-77.3	65	159.6	-76.8	-79.5	0	0	0	107.8	D6 S10	D6-Y8 HydrophobicContact CB-CD2 3.87Å; D6-Y8 HydrophobicContact CB-CE2 4.41Å; D6-Y8 PolarHBondContact O-N 3.33Å; Y8-S10 VanDerWaalsContact C-N 3.31Å; Y8-S10 PolarHBondContact O-N 2.98Å; Y8-S10 VanDerWaalsContact O-N 3.09Å
9	A	39.3	Very low	53.4	Low	75 Å²	75	125.9 Å²	125.9	62%	0.62	70%	0.695	S	S	*	*			trans	-59.3	108.5	147.3	0	0	0	0	0	104.7	E7 Q11	E7-A9 PolarHBondContact O-N 2.59Å; A9-Q11 VanDerWaalsContact C-N 3.31Å; A9-Q11 PolarHBondContact O-N 3.03Å
10	S	41.3	Very low	55.5	Low	107 Å²	107	123.6 Å²	123.6	75%	0.748	68%	0.678	S	S	*	*			trans	-48.3	102	166.4	24.9	0	0	0	0	107.6	Y8 E12	Y8-S10 VanDerWaalsContact C-N 3.31Å; Y8-S10 PolarHBondContact O-N 2.98Å; Y8-S10 VanDerWaalsContact O-N 3.09Å; S10-E12 PolarHBondContact O-N 2.99Å
11	Q	38.3	Very low	57.5	Low	185 Å²	185	121.1 Å²	121.1	86%	0.864	67%	0.667	S	S	*	*			trans	-61	95	156.6	-74.4	180	-17.6	0	0	103.7	A9 E13	A9-Q11 VanDerWaalsContact C-N 3.31Å; A9-Q11 PolarHBondContact O-N 3.03Å; Q11-E13 VanDerWaalsContact C-N 3.28Å; Q11-E13 PolarHBondContact O-N 3.06Å
12	E	51	Low	60.4	Low	140 Å²	140	110 Å²	110	65%	0.654	62%	0.615	S	S	*	*			trans	-52.4	105.8	159.9	-81.3	171.5	169.8	0	0	104.7	S10 A14 K156	S10-E12 PolarHBondContact O-N 2.99Å; E12-A14 PolarHBondContact O-N 3.1Å; E12-K156 IonicContact OE1-NZ 2.79Å; E12-K156 PolarHBondContact OE1-NZ 3.47Å
13	E	46.8	Very low	63.3	Low	177 Å²	177	106.3 Å²	106.3	83%	0.827	59%	0.586	S	S	*	*			trans	-52.1	109.4	169.5	-86.7	-179.6	152.1	0	0	105.8	Q11 T15	Q11-E13 VanDerWaalsContact C-N 3.28Å; Q11-E13 PolarHBondContact O-N 3.06Å; E13-T15 VanDerWaalsContact C-N 3.33Å; E13-T15 WeakPolarHBondContact O-CG2 3.48Å; E13-T15 PolarHBondContact O-N 3.16Å
14	A	58.5	Low	66.5	Low	100 Å²	100	103.5 Å²	103.5	83%	0.826	55%	0.554	S	S	*	*			trans	-59.7	103.4	175.6	0	0	0	0	0	106.4	E12	E12-A14 PolarHBondContact O-N 3.1Å
15	T	80.1	Confident	69.7	Low	70 Å²	70	106.2 Å²	106.2	43%	0.429	54%	0.544	S	S	.	.			trans	-72.2	136.3	-177.6	78	0	0	0	0	108.1	E13 S17 E20 N23	E13-T15 VanDerWaalsContact C-N 3.33Å; E13-T15 WeakPolarHBondContact O-CG2 3.48Å; E13-T15 PolarHBondContact O-N 3.16Å; T15-S17 PolarHBondContact O-N 3.39Å; T15-S17 VanDerWaalsContact OG1-CB 3.28Å; T15-S17 WeakPolarHBondContact OG1-CB 3.42Å; T15-E20 PolarHBondContact OG1-OE1 3.21Å; T15-N23 PolarHBondContact O-ND2 3.4Å
16	D	90.5	Very high	72.7	Confident	115 Å²	115	103.5 Å²	103.5	62%	0.615	53%	0.532	S	S	*	.			trans	-75.6	20.9	173.6	-97	-12.8	0	0	0	112.2	R26	D16-R26 IonicContact OD1-NH2 2.83Å; D16-R26 PolarHBondContact OD1-NH2 3.21Å; D16-R26 IonicContact OD2-CZ 3.39Å; D16-R26 IonicContact OD2-NH1 3.8Å; D16-R26 IonicContact OD2-NH2 2.66Å; D16-R26 PolarHBondContact OD2-NH2 3.46Å
17	S	96.1	Very high	75.6	Confident	43 Å²	43	97.8 Å²	97.8	30%	0.301	50%	0.503	S	S	.	.			trans	-65.4	139.7	-175.5	175.7	0	0	0	0	111.3	T15 W19 E20 N23	T15-S17 PolarHBondContact O-N 3.39Å; T15-S17 VanDerWaalsContact OG1-CB 3.28Å; T15-S17 WeakPolarHBondContact OG1-CB 3.42Å; S17-W19 PolarHBondContact O-N 3.01Å; S17-W19 PolarHBondContact OG-N 3.29Å; S17-E20 WeakPolarHBondContact O-CB 3.24Å; S17-E20 PolarHBondContact O-N 3.27Å; S17-N23 WeakPolarHBondContact O-CB 3.48Å; S17-N23 PolarHBondContact O-ND2 3.47Å
18	F	97.6	Very high	78.6	Confident	49 Å²	49	89.6 Å²	89.6	22%	0.215	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.9	174.4	169.6	-99.3	0	0	0	112.8	E20 F138 M225 F229	F18-E20 VanDerWaalsContact C-N 3.25Å; F18-E20 PolarHBondContact O-N 3.47Å; F18-F138 HydrophobicContact CE2-CE1 4.11Å; F18-F138 HydrophobicContact CE2-CZ 4.36Å; F18-F138 AromaticContact CZ-CE1 3.8Å; F18-F138 HydrophobicContact CZ-CE1 3.8Å; F18-F138 HydrophobicContact CZ-CZ 4.41Å; F18-M225 HydrophobicContact CE1-CB 4.24Å; F18-M225 HydrophobicContact CE1-CE 3.92Å; F18-M225 HydrophobicContact CE2-CE 4.36Å; F18-M225 HydrophobicContact CZ-CB 4.47Å; F18-M225 HydrophobicContact CZ-CE 3.68Å; F18-F229 HydrophobicContact CE2-CD2 4.12Å; F18-F229 HydrophobicContact CZ-CB 4.39Å; F18-F229 HydrophobicContact CZ-CD2 4.28Å
19	W	97.6	Very high	81.6	Confident	94 Å²	94	86.3 Å²	86.3	36%	0.356	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-15.4	-175.3	-59.5	114.2	0	0	0	113.9	S17 Y221 I222 M225 E226	S17-W19 PolarHBondContact O-N 3.01Å; S17-W19 PolarHBondContact OG-N 3.29Å; W19-Y221 AromaticContact CE3-CE1 3.86Å; W19-Y221 HydrophobicContact CE3-CE1 3.86Å; W19-Y221 HydrophobicContact CZ3-CE1 4.49Å; W19-Y221 PolarHBondContact O-OH 3.4Å; W19-I222 HydrophobicContact CH2-CB 4.35Å; W19-I222 HydrophobicContact CH2-CG1 4.24Å; W19-I222 HydrophobicContact CH2-CG2 3.91Å; W19-I222 HydrophobicContact CZ3-CB 4.35Å; W19-I222 HydrophobicContact CZ3-CG1 4.06Å; W19-I222 HydrophobicContact CZ3-CG2 4.4Å; W19-M225 HydrophobicContact CZ3-CB 3.85Å; W19-M225 HydrophobicContact CZ3-CG 4.39Å; W19-E226 HydrophobicContact CH2-CG 4.08Å
20	E	96.3	Very high	84.4	Confident	78 Å²	78	86.2 Å²	86.2	36%	0.364	44%	0.438	S	S	.	.	S	Bend	trans	-68.1	152	175	-65.4	-66.8	170.6	0	0	111.5	T15 S17 F18 G22 N23 Q142	T15-E20 PolarHBondContact OG1-OE1 3.21Å; S17-E20 WeakPolarHBondContact O-CB 3.24Å; S17-E20 PolarHBondContact O-N 3.27Å; F18-E20 VanDerWaalsContact C-N 3.25Å; F18-E20 PolarHBondContact O-N 3.47Å; E20-G22 PolarHBondContact O-N 3.46Å; E20-N23 HydrophobicContact CB-CB 4.26Å; E20-N23 WeakPolarHBondContact CB-ND2 3.34Å; E20-N23 PolarHBondContact O-N 2.98Å; E20-N23 VanDerWaalsContact O-N 3.12Å; E20-Q142 PolarHBondContact O-NE2 2.87Å
21	V	96.4	Very high	87.1	Confident	73 Å²	73	81.6 Å²	81.6	44%	0.442	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	116.7	-175.8	-178.2	0	0	0	0	110.5	W145 A146 L149	V21-W145 HydrophobicContact CG2-CE3 4.35Å; V21-W145 HydrophobicContact CG2-CZ3 3.83Å; V21-A146 HydrophobicContact CG1-CB 4.15Å; V21-A146 HydrophobicContact CG2-CB 3.93Å; V21-L149 HydrophobicContact CG2-CD2 4Å
22	G	96.2	Very high	90	Very high	14 Å²	14	75.5 Å²	75.5	14%	0.144	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-4.6	179.4	0	0	0	0	0	116.5	E20 Y24 K25	E20-G22 PolarHBondContact O-N 3.46Å; G22-Y24 PolarHBondContact O-N 3.29Å; G22-K25 WeakPolarHBondContact O-CB 3.45Å; G22-K25 WeakPolarHBondContact O-CD 3.46Å; G22-K25 WeakPolarHBondContact O-CG 3.48Å; G22-K25 PolarHBondContact O-N 3.44Å
23	N	97.7	Very high	92.2	Very high	45 Å²	45	71.4 Å²	71.4	24%	0.241	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-13.4	-178.1	-81.8	2.4	0	0	0	114	T15 S17 E20 K25 R26	T15-N23 PolarHBondContact O-ND2 3.4Å; S17-N23 WeakPolarHBondContact O-CB 3.48Å; S17-N23 PolarHBondContact O-ND2 3.47Å; E20-N23 HydrophobicContact CB-CB 4.26Å; E20-N23 WeakPolarHBondContact CB-ND2 3.34Å; E20-N23 PolarHBondContact O-N 2.98Å; E20-N23 VanDerWaalsContact O-N 3.12Å; N23-K25 PolarHBondContact O-N 3.44Å; N23-R26 PolarHBondContact O-N 3.31Å
24	Y	98.2	Very high	94.7	Very high	11 Å²	11	63 Å²	63	4%	0.043	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-15.7	168.2	64.7	-103.7	0	0	0	113.8	G22 R26 T27 V28 F138 K139 Q142 M225	G22-Y24 PolarHBondContact O-N 3.29Å; Y24-R26 PolarHBondContact O-N 3.06Å; Y24-R26 VanDerWaalsContact O-N 3.12Å; Y24-T27 WeakPolarHBondContact O-CA 3.3Å; Y24-T27 WeakPolarHBondContact O-CB 3.46Å; Y24-T27 PolarHBondContact O-N 3.48Å; Y24-V28 HydrophobicContact CD2-CG2 3.96Å; Y24-V28 HydrophobicContact CE2-CG2 4.41Å; Y24-V28 PolarHBondContact O-N 2.99Å; Y24-F138 HydrophobicContact CD1-CB 3.77Å; Y24-F138 HydrophobicContact CD1-CG 4.25Å; Y24-F138 HydrophobicContact CD2-CB 3.37Å; Y24-F138 AromaticContact CD2-CD2 3.61Å; Y24-F138 HydrophobicContact CD2-CD2 3.61Å; Y24-F138 AromaticContact CD2-CG 3.6Å; Y24-F138 HydrophobicContact CD2-CG 3.6Å; Y24-F138 HydrophobicContact CE1-CB 3.91Å; Y24-F138 HydrophobicContact CE2-CB 3.56Å; Y24-F138 HydrophobicContact CE2-CD2 4.4Å; Y24-F138 HydrophobicContact CE2-CG 4.28Å; Y24-F138 HydrophobicContact CG-CB 3.51Å; Y24-F138 HydrophobicContact CG-CD1 4.09Å; Y24-F138 AromaticContact CG-CD2 3.98Å; Y24-F138 HydrophobicContact CG-CD2 3.98Å; Y24-F138 AromaticContact CG-CG 3.61Å; Y24-F138 HydrophobicContact CG-CG 3.61Å; Y24-K139 WeakPolarHBondContact OH-CG 3.46Å; Y24-Q142 VanDerWaalsContact CE1-OE1 3.27Å; Y24-M225 HydrophobicContact CD1-CE 4.06Å; Y24-M225 HydrophobicContact CG-CE 4.5Å
25	K	98.1	Very high	96.6	Very high	133 Å²	133	59.3 Å²	59.3	58%	0.578	29%	0.288	S	S	*	.	H	α-helix	trans	-55.6	-27.9	177.7	-76.5	175.5	-177.6	179.2	0	113.3	G22 N23 T27 V28 K29	G22-K25 WeakPolarHBondContact O-CB 3.45Å; G22-K25 WeakPolarHBondContact O-CD 3.46Å; G22-K25 WeakPolarHBondContact O-CG 3.48Å; G22-K25 PolarHBondContact O-N 3.44Å; N23-K25 PolarHBondContact O-N 3.44Å; K25-T27 VanDerWaalsContact C-N 3.32Å; K25-V28 PolarHBondContact O-N 3.39Å; K25-K29 VanDerWaalsContact O-CB 3.3Å; K25-K29 WeakPolarHBondContact O-CB 3.5Å; K25-K29 PolarHBondContact O-N 2.94Å
26	R	97.9	Very high	97.5	Very high	153 Å²	153	63.4 Å²	63.4	58%	0.577	30%	0.296	S	S	*	.	H	α-helix	trans	-61.2	-42.3	173.2	-64.8	-173.5	-176	-160.6	2.4	111.3	D16 N23 Y24 R30	D16-R26 IonicContact OD1-NH2 2.83Å; D16-R26 PolarHBondContact OD1-NH2 3.21Å; D16-R26 IonicContact OD2-CZ 3.39Å; D16-R26 IonicContact OD2-NH1 3.8Å; D16-R26 IonicContact OD2-NH2 2.66Å; D16-R26 PolarHBondContact OD2-NH2 3.46Å; N23-R26 PolarHBondContact O-N 3.31Å; Y24-R26 PolarHBondContact O-N 3.06Å; Y24-R26 VanDerWaalsContact O-N 3.12Å; R26-R30 PolarHBondContact O-N 2.84Å
27	T	98.5	Very high	97.8	Very high	14 Å²	14	61.6 Å²	61.6	9%	0.086	29%	0.286	C	S	.	.	H	α-helix	trans	-66.4	-44.7	176.3	-52.4	0	0	0	0	111.7	Y24 K25 R30 F138 F229 C232	Y24-T27 WeakPolarHBondContact O-CA 3.3Å; Y24-T27 WeakPolarHBondContact O-CB 3.46Å; Y24-T27 PolarHBondContact O-N 3.48Å; K25-T27 VanDerWaalsContact C-N 3.32Å; T27-R30 VanDerWaalsContact O-CB 3.3Å; T27-R30 WeakPolarHBondContact O-CB 3.4Å; T27-R30 PolarHBondContact O-N 3.31Å; T27-F138 HydrophobicContact CG2-CE2 4.21Å; T27-F138 HydrophobicContact CG2-CZ 4.19Å; T27-F229 HydrophobicContact CG2-CD2 3.82Å; T27-F229 HydrophobicContact CG2-CE2 3.97Å; T27-C232 HydrophobicContact CG2-CB 3.71Å
28	V	98.6	Very high	98	Very high	12 Å²	12	59.6 Å²	59.6	7%	0.073	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-45.9	177.9	173.9	0	0	0	0	111.1	Y24 K25 R30 I31 T131 A134 D135 F138	Y24-V28 HydrophobicContact CD2-CG2 3.96Å; Y24-V28 HydrophobicContact CE2-CG2 4.41Å; Y24-V28 PolarHBondContact O-N 2.99Å; K25-V28 PolarHBondContact O-N 3.39Å; V28-R30 PolarHBondContact O-N 3.03Å; V28-I31 WeakPolarHBondContact O-CB 2.95Å; V28-I31 PolarHBondContact O-N 2.75Å; V28-T131 HydrophobicContact CG1-CG2 3.54Å; V28-A134 HydrophobicContact CG2-CB 4.28Å; V28-D135 HydrophobicContact CG1-CB 4.06Å; V28-D135 HydrophobicContact CG2-CB 4.32Å; V28-F138 HydrophobicContact CG2-CD2 3.71Å; V28-F138 HydrophobicContact CG2-CE2 4.02Å
29	K	98.3	Very high	98	Very high	124 Å²	124	60 Å²	60	54%	0.539	28%	0.276	S	S	.	.	H	α-helix	trans	-57.4	-34.5	178.2	-172.8	-169.2	170.3	-166.1	0	112.1	K25 I31 D32 D33	K25-K29 VanDerWaalsContact O-CB 3.3Å; K25-K29 WeakPolarHBondContact O-CB 3.5Å; K25-K29 PolarHBondContact O-N 2.94Å; K29-I31 PolarHBondContact O-N 2.74Å; K29-I31 VanDerWaalsContact O-N 3.12Å; K29-D32 PolarHBondContact O-N 3.33Å; K29-D33 WeakPolarHBondContact CE-OD2 3.41Å; K29-D33 PolarHBondContact O-N 3.23Å
30	R	98.6	Very high	98.1	Very high	73 Å²	73	58.9 Å²	58.9	28%	0.275	28%	0.277	S	S	.	.	H	α-helix	trans	-57.5	-27.6	178.3	-164.2	176.9	66.6	-169.1	-1	112.7	R26 T27 V28 G34 C232 Q233	R26-R30 PolarHBondContact O-N 2.84Å; T27-R30 VanDerWaalsContact O-CB 3.3Å; T27-R30 WeakPolarHBondContact O-CB 3.4Å; T27-R30 PolarHBondContact O-N 3.31Å; V28-R30 PolarHBondContact O-N 3.03Å; R30-G34 PolarHBondContact O-N 3.2Å; R30-C232 PolarHBondContact NH2-O 3.1Å; R30-Q233 VanDerWaalsContact CZ-OE1 3.27Å
31	I	98.4	Very high	98.2	Very high	10 Å²	10	56.4 Å²	56.4	5%	0.051	27%	0.266	C	S	.	.	H	α-helix	trans	-65.9	-50	175.6	-59.3	172.4	0	0	0	110.2	V28 K29 G34 N35 Y120 E130 T131 A134 F235	V28-I31 WeakPolarHBondContact O-CB 2.95Å; V28-I31 PolarHBondContact O-N 2.75Å; K29-I31 PolarHBondContact O-N 2.74Å; K29-I31 VanDerWaalsContact O-N 3.12Å; I31-G34 PolarHBondContact O-N 2.94Å; I31-N35 PolarHBondContact O-N 2.78Å; I31-Y120 HydrophobicContact CG2-CE1 4.1Å; I31-Y120 VanDerWaalsContact O-CE1 3.23Å; I31-Y120 WeakPolarHBondContact O-CE1 3.15Å; I31-E130 HydrophobicContact CG2-CB 4.06Å; I31-T131 WeakPolarHBondContact CG2-OG1 3.48Å; I31-A134 HydrophobicContact CD1-CB 3.52Å; I31-F235 HydrophobicContact CG1-CD1 4.49Å; I31-F235 HydrophobicContact CG2-CD1 4.49Å; I31-F235 HydrophobicContact CG2-CE1 3.93Å
32	D	97.8	Very high	98.3	Very high	57 Å²	57	53.5 Å²	53.5	31%	0.305	25%	0.248	S	C	.	.	H	α-helix	trans	-63.2	-43.1	176.9	-63.2	-32.6	0	0	0	111.2	K29 G34 N35 R36 F128 T131	K29-D32 PolarHBondContact O-N 3.33Å; D32-G34 PolarHBondContact O-N 3.41Å; D32-N35 WeakPolarHBondContact O-CB 3.26Å; D32-N35 PolarHBondContact O-N 3.28Å; D32-N35 VanDerWaalsContact O-N 3.13Å; D32-R36 PolarHBondContact O-N 2.91Å; D32-R36 VanDerWaalsContact O-N 3.1Å; D32-F128 WeakPolarHBondContact OD1-CD2 3.3Å; D32-T131 WeakPolarHBondContact OD1-CB 3.47Å; D32-T131 WeakPolarHBondContact OD1-CG2 3.48Å; D32-T131 PolarHBondContact OD1-OG1 3.23Å; D32-T131 WeakPolarHBondContact OD2-CG2 3.41Å
33	D	98.4	Very high	98.4	Very high	55 Å²	55	56.4 Å²	56.4	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-35.7	176.4	-69.5	-26.5	0	0	0	110.9	K29 N35 R36 L37	K29-D33 WeakPolarHBondContact CE-OD2 3.41Å; K29-D33 PolarHBondContact O-N 3.23Å; D33-N35 PolarHBondContact O-N 2.87Å; D33-R36 WeakPolarHBondContact O-CB 3.49Å; D33-R36 PolarHBondContact O-N 3.27Å; D33-L37 WeakPolarHBondContact O-CB 3.36Å; D33-L37 VanDerWaalsContact O-CG 3.26Å; D33-L37 WeakPolarHBondContact O-CG 3.23Å; D33-L37 PolarHBondContact O-N 3.37Å
34	G	98.5	Very high	98.5	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-60	-42.8	173.8	0	0	0	0	0	113.1	R30 I31 D32 L37 C38 Y120	R30-G34 PolarHBondContact O-N 3.2Å; I31-G34 PolarHBondContact O-N 2.94Å; D32-G34 PolarHBondContact O-N 3.41Å; G34-L37 PolarHBondContact O-N 3.34Å; G34-C38 PolarHBondContact O-N 3.02Å; G34-C38 PolarHBondContact O-SG 3.42Å; G34-Y120 WeakPolarHBondContact CA-OH 3.34Å
35	N	98.4	Very high	98.5	Very high	21 Å²	21	57.7 Å²	57.7	11%	0.112	27%	0.273	C	S	.	.	H	α-helix	trans	-63.2	-44	174.7	179.7	-94.3	0	0	0	111.5	I31 D32 D33 C38 N39 Q116 Y120 F128	I31-N35 PolarHBondContact O-N 2.78Å; D32-N35 WeakPolarHBondContact O-CB 3.26Å; D32-N35 PolarHBondContact O-N 3.28Å; D32-N35 VanDerWaalsContact O-N 3.13Å; D33-N35 PolarHBondContact O-N 2.87Å; N35-C38 WeakPolarHBondContact O-CB 3.48Å; N35-C38 PolarHBondContact O-N 2.96Å; N35-N39 PolarHBondContact O-N 3.05Å; N35-N39 PolarHBondContact O-ND2 3.46Å; N35-Q116 VanDerWaalsContact ND2-CG 3.31Å; N35-Q116 WeakPolarHBondContact ND2-CG 3.43Å; N35-Q116 PolarHBondContact ND2-NE2 2.89Å; N35-Q116 PolarHBondContact O-NE2 2.99Å; N35-Y120 HydrophobicContact CB-CD1 3.81Å; N35-Y120 HydrophobicContact CB-CD2 4.01Å; N35-Y120 HydrophobicContact CB-CE1 3.87Å; N35-Y120 HydrophobicContact CB-CE2 4.06Å; N35-Y120 HydrophobicContact CB-CG 3.88Å; N35-Y120 PolarHBondContact N-OH 3.16Å; N35-Y120 WeakPolarHBondContact ND2-CB 3.42Å; N35-Y120 WeakPolarHBondContact ND2-CD2 3.41Å; N35-F128 HydrophobicContact CB-CE2 3.76Å; N35-F128 HydrophobicContact CB-CZ 3.82Å; N35-F128 VanDerWaalsContact OD1-CZ 3.27Å; N35-F128 WeakPolarHBondContact OD1-CZ 3.48Å
36	R	98.5	Very high	98.6	Very high	157 Å²	157	54.5 Å²	54.5	59%	0.592	26%	0.26	S	S	*	.	H	α-helix	trans	-59.5	-46.5	176.6	177.4	-173.3	165	176.1	1.1	111.3	D32 D33 C38 N39 D40	D32-R36 PolarHBondContact O-N 2.91Å; D32-R36 VanDerWaalsContact O-N 3.1Å; D33-R36 WeakPolarHBondContact O-CB 3.49Å; D33-R36 PolarHBondContact O-N 3.27Å; R36-C38 PolarHBondContact O-N 2.99Å; R36-N39 WeakPolarHBondContact O-CA 3.48Å; R36-N39 VanDerWaalsContact O-CB 3.31Å; R36-N39 WeakPolarHBondContact O-CB 3.48Å; R36-N39 PolarHBondContact O-N 3.31Å; R36-D40 IonicContact NE-OD2 3Å; R36-D40 PolarHBondContact O-N 3.01Å
37	L	98.8	Very high	98.6	Very high	77 Å²	77	53 Å²	53	40%	0.403	26%	0.26	S	S	.	.	H	α-helix	trans	-61.3	-30.4	179.7	-73.1	170	0	0	0	112.8	D33 G34 D40 L41	D33-L37 WeakPolarHBondContact O-CB 3.36Å; D33-L37 VanDerWaalsContact O-CG 3.26Å; D33-L37 WeakPolarHBondContact O-CG 3.23Å; D33-L37 PolarHBondContact O-N 3.37Å; G34-L37 PolarHBondContact O-N 3.34Å; L37-D40 PolarHBondContact O-N 2.89Å; L37-L41 PolarHBondContact O-N 3.3Å
38	C	98.8	Very high	98.6	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-39.6	170.2	-67.3	0	0	0	0	112.1	G34 N35 R36 M42 V112 Q116	G34-C38 PolarHBondContact O-N 3.02Å; G34-C38 PolarHBondContact O-SG 3.42Å; N35-C38 WeakPolarHBondContact O-CB 3.48Å; N35-C38 PolarHBondContact O-N 2.96Å; R36-C38 PolarHBondContact O-N 2.99Å; C38-M42 WeakPolarHBondContact O-CB 3.47Å; C38-M42 WeakPolarHBondContact O-CG 3.32Å; C38-M42 PolarHBondContact O-N 3.18Å; C38-V112 HydrophobicContact CB-CG1 3.96Å; C38-Q116 HydrophobicContact CB-CB 4.08Å; C38-Q116 HydrophobicContact CB-CG 3.85Å
39	N	98.7	Very high	98.6	Very high	59 Å²	59	56.5 Å²	56.5	32%	0.316	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-43.3	173.9	-61.7	-45.5	0	0	0	111.3	N35 R36 L41 M42 N43 Q116	N35-N39 PolarHBondContact O-N 3.05Å; N35-N39 PolarHBondContact O-ND2 3.46Å; R36-N39 WeakPolarHBondContact O-CA 3.48Å; R36-N39 VanDerWaalsContact O-CB 3.31Å; R36-N39 WeakPolarHBondContact O-CB 3.48Å; R36-N39 PolarHBondContact O-N 3.31Å; N39-L41 VanDerWaalsContact C-N 3.32Å; N39-L41 PolarHBondContact O-N 2.95Å; N39-M42 HydrophobicContact CB-CE 4.45Å; N39-M42 PolarHBondContact O-N 3.01Å; N39-M42 VanDerWaalsContact OD1-CE 3.27Å; N39-M42 WeakPolarHBondContact OD1-CE 3.01Å; N39-N43 WeakPolarHBondContact O-CB 3.35Å; N39-N43 VanDerWaalsContact O-CG 3.24Å; N39-N43 PolarHBondContact O-N 3.42Å; N39-N43 PolarHBondContact O-ND2 3.2Å; N39-Q116 VanDerWaalsContact CG-NE2 3.3Å; N39-Q116 PolarHBondContact ND2-NE2 2.98Å; N39-Q116 PolarHBondContact OD1-NE2 3.5Å
40	D	98.8	Very high	98.7	Very high	69 Å²	69	56.6 Å²	56.6	37%	0.369	27%	0.271	S	S	.	.	H	α-helix	trans	-61.4	-42.1	179.1	-63.3	-18.9	0	0	0	110.9	R36 L37 N43 C44	R36-D40 IonicContact NE-OD2 3Å; R36-D40 PolarHBondContact O-N 3.01Å; L37-D40 PolarHBondContact O-N 2.89Å; D40-N43 PolarHBondContact O-N 3.03Å; D40-C44 WeakPolarHBondContact O-CB 3.45Å; D40-C44 PolarHBondContact O-N 2.94Å
41	L	98.8	Very high	98.7	Very high	27 Å²	27	58.5 Å²	58.5	14%	0.141	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-44.8	174.2	179.1	60.4	0	0	0	112.4	L37 N39 N43 C44 I45 V112 L243 V246 L247	L37-L41 PolarHBondContact O-N 3.3Å; N39-L41 VanDerWaalsContact C-N 3.32Å; N39-L41 PolarHBondContact O-N 2.95Å; L41-N43 VanDerWaalsContact C-N 3.3Å; L41-N43 PolarHBondContact O-N 3.04Å; L41-C44 WeakPolarHBondContact O-CB 3.33Å; L41-C44 PolarHBondContact O-N 3.27Å; L41-I45 HydrophobicContact CD1-CD1 4.01Å; L41-I45 HydrophobicContact CD1-CG1 4.14Å; L41-I45 HydrophobicContact CG-CD1 3.9Å; L41-I45 HydrophobicContact CG-CG1 4.45Å; L41-I45 WeakPolarHBondContact O-CG1 3.34Å; L41-I45 PolarHBondContact O-N 3.4Å; L41-V112 HydrophobicContact CD2-CG2 3.94Å; L41-V112 HydrophobicContact CG-CG2 4.46Å; L41-L243 HydrophobicContact CD2-CD2 3.53Å; L41-V246 HydrophobicContact CD2-CG1 4.15Å; L41-L247 HydrophobicContact CD1-CD2 4.3Å
42	M	98.9	Very high	98.7	Very high	11 Å²	11	58.6 Å²	58.6	5%	0.054	29%	0.286	C	S	.	.	H	α-helix	trans	-58.2	-43.7	176.5	-80.2	-172.6	-64.2	0	0	111.7	C38 N39 I45 Q46 F109 V112 K113	C38-M42 WeakPolarHBondContact O-CB 3.47Å; C38-M42 WeakPolarHBondContact O-CG 3.32Å; C38-M42 PolarHBondContact O-N 3.18Å; N39-M42 HydrophobicContact CB-CE 4.45Å; N39-M42 PolarHBondContact O-N 3.01Å; N39-M42 VanDerWaalsContact OD1-CE 3.27Å; N39-M42 WeakPolarHBondContact OD1-CE 3.01Å; M42-I45 PolarHBondContact O-N 2.96Å; M42-Q46 VanDerWaalsContact O-CB 3.32Å; M42-Q46 WeakPolarHBondContact O-CB 3.29Å; M42-Q46 PolarHBondContact O-N 2.93Å; M42-F109 HydrophobicContact CB-CD2 3.79Å; M42-F109 HydrophobicContact CB-CE2 3.6Å; M42-F109 HydrophobicContact CB-CZ 4.39Å; M42-F109 HydrophobicContact CG-CD2 4.03Å; M42-F109 HydrophobicContact CG-CE2 4.07Å; M42-F109 WeakPolarHBondContact O-CD2 3.48Å; M42-F109 HydrophobicContact SD-CE2 4.33Å; M42-F109 HydrophobicContact SD-CZ 4.26Å; M42-V112 HydrophobicContact CG-CB 3.74Å; M42-V112 HydrophobicContact CG-CG1 3.55Å; M42-V112 HydrophobicContact SD-CB 4.34Å; M42-V112 HydrophobicContact SD-CG1 4.15Å; M42-K113 VanDerWaalsContact SD-CA 3.56Å; M42-K113 HydrophobicContact SD-CB 3.55Å; M42-K113 VanDerWaalsContact SD-CB 3.55Å; M42-K113 HydrophobicContact SD-CG 4.17Å
43	N	98.9	Very high	98.7	Very high	75 Å²	75	62 Å²	62	40%	0.401	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-44.3	176.8	-68.9	-23.7	0	0	0	111.4	N39 D40 L41 I45 Q46 E47	N39-N43 WeakPolarHBondContact O-CB 3.35Å; N39-N43 VanDerWaalsContact O-CG 3.24Å; N39-N43 PolarHBondContact O-N 3.42Å; N39-N43 PolarHBondContact O-ND2 3.2Å; D40-N43 PolarHBondContact O-N 3.03Å; L41-N43 VanDerWaalsContact C-N 3.3Å; L41-N43 PolarHBondContact O-N 3.04Å; N43-I45 PolarHBondContact O-N 3.05Å; N43-Q46 PolarHBondContact O-N 3.08Å; N43-E47 WeakPolarHBondContact O-CB 3.19Å; N43-E47 WeakPolarHBondContact O-CG 3.45Å; N43-E47 PolarHBondContact O-N 3.36Å
44	C	98.9	Very high	98.8	Very high	76 Å²	76	60.7 Å²	60.7	51%	0.514	30%	0.297	S	S	.	.	H	α-helix	trans	-57.7	-47.4	175.8	178.8	0	0	0	0	112.1	D40 L41 Q46 E47 R48	D40-C44 WeakPolarHBondContact O-CB 3.45Å; D40-C44 PolarHBondContact O-N 2.94Å; L41-C44 WeakPolarHBondContact O-CB 3.33Å; L41-C44 PolarHBondContact O-N 3.27Å; C44-Q46 VanDerWaalsContact C-N 3.34Å; C44-Q46 PolarHBondContact O-N 3.09Å; C44-E47 PolarHBondContact O-N 2.92Å; C44-R48 PolarHBondContact O-N 2.95Å
45	I	98.9	Very high	98.8	Very high	7 Å²	7	65.8 Å²	65.8	4%	0.036	32%	0.317	C	S	.	.	H	α-helix	trans	-61.3	-44.3	175.7	-67.7	168.1	0	0	0	110.6	L41 M42 N43 R48 A49 L104 D108 F109 V112 V246 V250	L41-I45 HydrophobicContact CD1-CD1 4.01Å; L41-I45 HydrophobicContact CD1-CG1 4.14Å; L41-I45 HydrophobicContact CG-CD1 3.9Å; L41-I45 HydrophobicContact CG-CG1 4.45Å; L41-I45 WeakPolarHBondContact O-CG1 3.34Å; L41-I45 PolarHBondContact O-N 3.4Å; M42-I45 PolarHBondContact O-N 2.96Å; N43-I45 PolarHBondContact O-N 3.05Å; I45-R48 PolarHBondContact O-N 3.49Å; I45-A49 WeakPolarHBondContact O-CB 3.35Å; I45-A49 PolarHBondContact O-N 3.44Å; I45-L104 HydrophobicContact CG2-CB 3.98Å; I45-L104 HydrophobicContact CG2-CD2 4.36Å; I45-L104 VanDerWaalsContact CG2-O 3.27Å; I45-L104 WeakPolarHBondContact CG2-O 3.39Å; I45-D108 HydrophobicContact CD1-CB 4.26Å; I45-D108 HydrophobicContact CG2-CB 4.5Å; I45-F109 HydrophobicContact CG2-CB 4.27Å; I45-V112 HydrophobicContact CD1-CG2 4.49Å; I45-V246 HydrophobicContact CD1-CG1 4.28Å; I45-V250 HydrophobicContact CD1-CG2 4.02Å; I45-V250 HydrophobicContact CG1-CG2 4.23Å
46	Q	98.8	Very high	98.8	Very high	67 Å²	67	64.9 Å²	64.9	31%	0.313	31%	0.312	S	S	.	.	H	α-helix	trans	-64.7	-41.3	-179.5	-175.4	-178.4	16.9	0	0	112.6	M42 N43 C44 A49 K50 M105 F109	M42-Q46 VanDerWaalsContact O-CB 3.32Å; M42-Q46 WeakPolarHBondContact O-CB 3.29Å; M42-Q46 PolarHBondContact O-N 2.93Å; N43-Q46 PolarHBondContact O-N 3.08Å; C44-Q46 VanDerWaalsContact C-N 3.34Å; C44-Q46 PolarHBondContact O-N 3.09Å; Q46-A49 PolarHBondContact O-N 3.41Å; Q46-K50 WeakPolarHBondContact O-CG 3.43Å; Q46-K50 PolarHBondContact O-N 3.04Å; Q46-M105 HydrophobicContact CB-CE 4.27Å; Q46-M105 HydrophobicContact CB-SD 4.05Å; Q46-M105 HydrophobicContact CG-CE 3.96Å; Q46-M105 HydrophobicContact CG-SD 4Å; Q46-F109 HydrophobicContact CB-CD2 4.35Å; Q46-F109 HydrophobicContact CB-CE2 4.33Å
47	E	98.8	Very high	98.8	Very high	121 Å²	121	61.8 Å²	61.8	57%	0.565	30%	0.304	S	S	*	.	H	α-helix	trans	-63.5	-45.3	175.6	-75.5	174.6	-168.8	0	0	111	N43 C44 A49 K50 I51	N43-E47 WeakPolarHBondContact O-CB 3.19Å; N43-E47 WeakPolarHBondContact O-CG 3.45Å; N43-E47 PolarHBondContact O-N 3.36Å; C44-E47 PolarHBondContact O-N 2.92Å; E47-A49 VanDerWaalsContact C-N 3.33Å; E47-A49 PolarHBondContact O-N 2.7Å; E47-K50 WeakPolarHBondContact O-CB 3.45Å; E47-K50 PolarHBondContact O-N 3.33Å; E47-K50 VanDerWaalsContact O-N 3.14Å; E47-I51 PolarHBondContact O-N 2.92Å
48	R	98.9	Very high	98.8	Very high	97 Å²	97	64.7 Å²	64.7	37%	0.366	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-46.1	173.3	177.6	57	-173.8	-84.7	1.5	111.8	C44 I45 K50 I51 E52 L104 L254	C44-R48 PolarHBondContact O-N 2.95Å; I45-R48 PolarHBondContact O-N 3.49Å; R48-K50 VanDerWaalsContact C-N 3.26Å; R48-K50 PolarHBondContact O-N 3.45Å; R48-I51 WeakPolarHBondContact O-CB 3.32Å; R48-I51 PolarHBondContact O-N 2.9Å; R48-I51 VanDerWaalsContact O-N 3.07Å; R48-E52 IonicContact CZ-OE1 2.68Å; R48-E52 IonicContact NE-OE1 3.63Å; R48-E52 PolarHBondContact NE-OE1 2.8Å; R48-E52 IonicContact NH2-OE1 2.83Å; R48-E52 PolarHBondContact NH2-OE1 3.4Å; R48-E52 PolarHBondContact O-N 3.29Å; R48-L104 HydrophobicContact CG-CD1 4.07Å; R48-L254 HydrophobicContact CG-CD2 4.27Å; R48-L254 VanDerWaalsContact CZ-CD2 3.46Å; R48-L254 VanDerWaalsContact NH1-CD1 3.35Å
49	A	98.9	Very high	98.8	Very high	2 Å²	2	65.9 Å²	65.9	2%	0.017	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-33.5	177.8	0	0	0	0	0	112.8	I45 Q46 E47 E52 K53 K101 L104 M105	I45-A49 WeakPolarHBondContact O-CB 3.35Å; I45-A49 PolarHBondContact O-N 3.44Å; Q46-A49 PolarHBondContact O-N 3.41Å; E47-A49 VanDerWaalsContact C-N 3.33Å; E47-A49 PolarHBondContact O-N 2.7Å; A49-E52 PolarHBondContact O-N 3.17Å; A49-K53 PolarHBondContact O-N 3.46Å; A49-K101 HydrophobicContact CB-CG 4.06Å; A49-K101 WeakPolarHBondContact O-CG 3.26Å; A49-L104 HydrophobicContact CB-CB 4.07Å; A49-L104 HydrophobicContact CB-CD1 4.03Å; A49-M105 HydrophobicContact CB-CG 3.7Å; A49-M105 HydrophobicContact CB-SD 3.63Å
50	K	98.8	Very high	98.8	Very high	127 Å²	127	65.5 Å²	65.5	55%	0.552	32%	0.322	S	S	*	.	H	α-helix	trans	-65.9	-38.3	173.7	-72.2	170.3	-175.7	169.6	0	112.1	Q46 E47 R48 K53 G54	Q46-K50 WeakPolarHBondContact O-CG 3.43Å; Q46-K50 PolarHBondContact O-N 3.04Å; E47-K50 WeakPolarHBondContact O-CB 3.45Å; E47-K50 PolarHBondContact O-N 3.33Å; E47-K50 VanDerWaalsContact O-N 3.14Å; R48-K50 VanDerWaalsContact C-N 3.26Å; R48-K50 PolarHBondContact O-N 3.45Å; K50-K53 PolarHBondContact O-N 3.3Å; K50-G54 PolarHBondContact O-N 2.96Å
51	I	98.9	Very high	98.8	Very high	113 Å²	113	66.2 Å²	66.2	58%	0.579	33%	0.326	S	S	*	.	H	α-helix	trans	-60.8	-48.7	175.7	-62.2	169.3	0	0	0	109.7	E47 R48 K53 G54 Y55	E47-I51 PolarHBondContact O-N 2.92Å; R48-I51 WeakPolarHBondContact O-CB 3.32Å; R48-I51 PolarHBondContact O-N 2.9Å; R48-I51 VanDerWaalsContact O-N 3.07Å; I51-K53 VanDerWaalsContact C-N 3.34Å; I51-K53 PolarHBondContact O-N 2.93Å; I51-G54 WeakPolarHBondContact O-CA 3.48Å; I51-G54 PolarHBondContact O-N 2.83Å; I51-Y55 PolarHBondContact O-N 2.99Å
52	E	98.8	Very high	98.8	Very high	12 Å²	12	69.4 Å²	69.4	6%	0.056	34%	0.336	C	S	.	.	H	α-helix	trans	-59.5	-43.5	179.2	-59.6	-53.8	156.6	0	0	112.1	R48 A49 G54 Y55 A56 H97 M100 K101 L104	R48-E52 IonicContact CZ-OE1 2.68Å; R48-E52 IonicContact NE-OE1 3.63Å; R48-E52 PolarHBondContact NE-OE1 2.8Å; R48-E52 IonicContact NH2-OE1 2.83Å; R48-E52 PolarHBondContact NH2-OE1 3.4Å; R48-E52 PolarHBondContact O-N 3.29Å; A49-E52 PolarHBondContact O-N 3.17Å; E52-G54 VanDerWaalsContact C-N 3.33Å; E52-G54 PolarHBondContact O-N 3.43Å; E52-Y55 PolarHBondContact O-N 3.46Å; E52-A56 WeakPolarHBondContact O-CB 3.44Å; E52-A56 PolarHBondContact O-N 3.5Å; E52-H97 IonicContact OE2-CE1 3.93Å; E52-H97 PolarHBondContact OE2-CE1 3.24Å; E52-H97 IonicContact OE2-CG 3.4Å; E52-H97 IonicContact OE2-ND1 3.87Å; E52-H97 PolarHBondContact OE2-ND1 2.9Å; E52-M100 HydrophobicContact CG-CG 4.33Å; E52-M100 HydrophobicContact CG-SD 3.76Å; E52-K101 HydrophobicContact CB-CB 3.99Å; E52-L104 HydrophobicContact CG-CD1 4.4Å
53	K	98.7	Very high	98.8	Very high	128 Å²	128	68.9 Å²	68.9	56%	0.557	33%	0.334	S	S	*	.	H	α-helix	trans	-60	-42.8	173	-179.1	-179.7	176.1	-173	0	112.1	A49 K50 I51 Q57 K101	A49-K53 PolarHBondContact O-N 3.46Å; K50-K53 PolarHBondContact O-N 3.3Å; I51-K53 VanDerWaalsContact C-N 3.34Å; I51-K53 PolarHBondContact O-N 2.93Å; K53-Q57 WeakPolarHBondContact O-CB 3.49Å; K53-Q57 PolarHBondContact O-N 2.79Å; K53-K101 HydrophobicContact CB-CG 4.14Å
54	G	98.8	Very high	98.8	Very high	28 Å²	28	71.3 Å²	71.3	29%	0.289	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-44.7	-179.2	0	0	0	0	0	112.1	K50 I51 E52 Q57 Q58	K50-G54 PolarHBondContact O-N 2.96Å; I51-G54 WeakPolarHBondContact O-CA 3.48Å; I51-G54 PolarHBondContact O-N 2.83Å; E52-G54 VanDerWaalsContact C-N 3.33Å; E52-G54 PolarHBondContact O-N 3.43Å; G54-Q57 PolarHBondContact O-N 3.39Å; G54-Q58 WeakPolarHBondContact O-CG 3.3Å; G54-Q58 PolarHBondContact O-N 2.96Å; G54-Q58 VanDerWaalsContact O-N 3.13Å
55	Y	98.9	Very high	98.8	Very high	107 Å²	107	75.5 Å²	75.5	42%	0.42	35%	0.346	S	S	.	.	H	α-helix	trans	-64.5	-48.1	177	-179.9	-118.7	0	0	0	112.2	I51 E52 Q57 Q58 L59 V93 H97	I51-Y55 PolarHBondContact O-N 2.99Å; E52-Y55 PolarHBondContact O-N 3.46Å; Y55-Q57 VanDerWaalsContact C-N 3.31Å; Y55-Q57 PolarHBondContact O-N 2.79Å; Y55-Q58 PolarHBondContact O-N 2.8Å; Y55-L59 HydrophobicContact CD1-CD1 4.07Å; Y55-L59 HydrophobicContact CE1-CD1 3.54Å; Y55-L59 HydrophobicContact CE1-CG 4.32Å; Y55-L59 HydrophobicContact CE2-CD1 4.22Å; Y55-L59 HydrophobicContact CE2-CD2 4.29Å; Y55-L59 HydrophobicContact CE2-CG 4.13Å; Y55-L59 PolarHBondContact O-N 3.48Å; Y55-V93 HydrophobicContact CE1-CG1 4.22Å; Y55-H97 HydrophobicContact CD1-CB 4.47Å; Y55-H97 AromaticContact CD1-CD2 3.82Å; Y55-H97 AromaticContact CD1-CE1 3.69Å; Y55-H97 AromaticContact CD1-CG 3.76Å; Y55-H97 AromaticContact CD1-ND1 3.68Å; Y55-H97 AromaticContact CD1-NE2 3.79Å; Y55-H97 AromaticContact CE1-CD2 3.76Å; Y55-H97 AromaticContact CE1-CE1 3.84Å; Y55-H97 AromaticContact CE1-NE2 3.53Å
56	A	98.8	Very high	98.8	Very high	2 Å²	2	79.5 Å²	79.5	2%	0.017	36%	0.36	C	S	.	.	H	α-helix	trans	-56	-45	176.4	0	0	0	0	0	112.4	E52 Q58 L59 T60 S94 H97 T98	E52-A56 WeakPolarHBondContact O-CB 3.44Å; E52-A56 PolarHBondContact O-N 3.5Å; A56-Q58 PolarHBondContact O-N 3.2Å; A56-L59 PolarHBondContact O-N 3.48Å; A56-T60 PolarHBondContact O-N 2.92Å; A56-T60 PolarHBondContact O-OG1 2.82Å; A56-T60 VanDerWaalsContact O-OG1 3.04Å; A56-S94 WeakPolarHBondContact CB-O 3.5Å; A56-S94 WeakPolarHBondContact CB-OG 3.42Å; A56-S94 WeakPolarHBondContact O-CB 3.47Å; A56-S94 PolarHBondContact O-OG 2.93Å; A56-H97 HydrophobicContact CB-CB 4Å; A56-T98 WeakPolarHBondContact CB-OG1 3.14Å
57	Q	98.8	Very high	98.8	Very high	92 Å²	92	78.6 Å²	78.6	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-61.5	-44.6	178.3	-173.9	59.9	59	0	0	111.8	K53 G54 Y55 L59 T60 D61	K53-Q57 WeakPolarHBondContact O-CB 3.49Å; K53-Q57 PolarHBondContact O-N 2.79Å; G54-Q57 PolarHBondContact O-N 3.39Å; Y55-Q57 VanDerWaalsContact C-N 3.31Å; Y55-Q57 PolarHBondContact O-N 2.79Å; Q57-L59 PolarHBondContact O-N 2.79Å; Q57-T60 WeakPolarHBondContact O-CB 3.47Å; Q57-T60 PolarHBondContact O-N 3.24Å; Q57-D61 VanDerWaalsContact NE2-CG 3.29Å; Q57-D61 PolarHBondContact NE2-OD1 3.17Å; Q57-D61 PolarHBondContact NE2-OD2 3.05Å; Q57-D61 PolarHBondContact O-N 2.99Å
58	Q	98.9	Very high	98.8	Very high	139 Å²	139	77.4 Å²	77.4	65%	0.65	35%	0.349	S	S	*	.	H	α-helix	trans	-62.6	-41	178.3	-72.7	-179.9	51.4	0	0	112.3	G54 Y55 A56 D61 W62	G54-Q58 WeakPolarHBondContact O-CG 3.3Å; G54-Q58 PolarHBondContact O-N 2.96Å; G54-Q58 VanDerWaalsContact O-N 3.13Å; Y55-Q58 PolarHBondContact O-N 2.8Å; A56-Q58 PolarHBondContact O-N 3.2Å; Q58-D61 PolarHBondContact O-N 3.02Å; Q58-W62 VanDerWaalsContact O-CB 3.28Å; Q58-W62 WeakPolarHBondContact O-CB 3.19Å; Q58-W62 PolarHBondContact O-N 3.4Å
59	L	98.9	Very high	98.7	Very high	25 Å²	25	77 Å²	77	13%	0.131	35%	0.353	C	S	.	.	H	α-helix	trans	-62	-43.8	174.5	-73.2	177	0	0	0	112	Y55 A56 Q57 W62 S63 A90 V93	Y55-L59 HydrophobicContact CD1-CD1 4.07Å; Y55-L59 HydrophobicContact CE1-CD1 3.54Å; Y55-L59 HydrophobicContact CE1-CG 4.32Å; Y55-L59 HydrophobicContact CE2-CD1 4.22Å; Y55-L59 HydrophobicContact CE2-CD2 4.29Å; Y55-L59 HydrophobicContact CE2-CG 4.13Å; Y55-L59 PolarHBondContact O-N 3.48Å; A56-L59 PolarHBondContact O-N 3.48Å; Q57-L59 PolarHBondContact O-N 2.79Å; L59-W62 PolarHBondContact O-N 2.81Å; L59-S63 VanDerWaalsContact O-CB 3.23Å; L59-S63 WeakPolarHBondContact O-CB 3.32Å; L59-S63 PolarHBondContact O-N 3.19Å; L59-A90 HydrophobicContact CB-CB 4.42Å; L59-A90 HydrophobicContact CD2-CB 4.15Å; L59-V93 HydrophobicContact CD1-CB 4.05Å; L59-V93 HydrophobicContact CD1-CG1 3.64Å
60	T	98.8	Very high	98.7	Very high	51 Å²	51	77.1 Å²	77.1	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-61.2	-46.1	177.6	-61.7	0	0	0	0	111.4	A56 Q57 S63 K64 S94	A56-T60 PolarHBondContact O-N 2.92Å; A56-T60 PolarHBondContact O-OG1 2.82Å; A56-T60 VanDerWaalsContact O-OG1 3.04Å; Q57-T60 WeakPolarHBondContact O-CB 3.47Å; Q57-T60 PolarHBondContact O-N 3.24Å; T60-S63 PolarHBondContact O-N 3.02Å; T60-K64 WeakPolarHBondContact O-CB 3.15Å; T60-K64 PolarHBondContact O-N 2.89Å; T60-S94 PolarHBondContact OG1-OG 2.81Å
61	D	98.8	Very high	98.6	Very high	83 Å²	83	75.9 Å²	75.9	44%	0.444	35%	0.353	S	S	.	.	H	α-helix	trans	-68.8	-41.9	-178.9	-69	-29.9	0	0	0	112	Q57 Q58 S63 R65	Q57-D61 VanDerWaalsContact NE2-CG 3.29Å; Q57-D61 PolarHBondContact NE2-OD1 3.17Å; Q57-D61 PolarHBondContact NE2-OD2 3.05Å; Q57-D61 PolarHBondContact O-N 2.99Å; Q58-D61 PolarHBondContact O-N 3.02Å; D61-S63 VanDerWaalsContact C-N 3.34Å; D61-R65 WeakPolarHBondContact O-CB 3.23Å; D61-R65 PolarHBondContact O-N 2.59Å
62	W	98.8	Very high	98.5	Very high	94 Å²	94	78.9 Å²	78.9	36%	0.356	36%	0.362	S	S	.	.	H	α-helix	trans	-58.2	-47.8	172.4	173.9	89.6	0	0	0	111	Q58 L59 R65 W66 M86 M87 A90	Q58-W62 VanDerWaalsContact O-CB 3.28Å; Q58-W62 WeakPolarHBondContact O-CB 3.19Å; Q58-W62 PolarHBondContact O-N 3.4Å; L59-W62 PolarHBondContact O-N 2.81Å; W62-R65 PolarHBondContact O-N 2.98Å; W62-W66 AromaticContact CD1-CD1 3.51Å; W62-W66 AromaticContact CD1-NE1 3.65Å; W62-W66 AromaticContact CE2-CD1 3.52Å; W62-W66 AromaticContact CE2-NE1 3.96Å; W62-W66 AromaticContact CG-CD1 3.98Å; W62-W66 AromaticContact NE1-CD1 3.21Å; W62-W66 AromaticContact NE1-NE1 3.24Å; W62-W66 PolarHBondContact O-N 3.19Å; W62-M86 HydrophobicContact CH2-CB 4.24Å; W62-M87 HydrophobicContact CH2-CG 4.33Å; W62-M87 HydrophobicContact CH2-SD 3.75Å; W62-M87 HydrophobicContact CZ2-SD 4.37Å; W62-M87 HydrophobicContact CZ3-CG 4.03Å; W62-M87 HydrophobicContact CZ3-SD 4.07Å; W62-A90 HydrophobicContact CE3-CB 3.69Å; W62-A90 HydrophobicContact CZ3-CB 3.52Å
63	S	98.8	Very high	98.5	Very high	0 Å²	0	79.7 Å²	79.7	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-61.4	-51.4	-178	178	0	0	0	0	111.7	L59 T60 D61 R65 W66 R67 M87 E91	L59-S63 VanDerWaalsContact O-CB 3.23Å; L59-S63 WeakPolarHBondContact O-CB 3.32Å; L59-S63 PolarHBondContact O-N 3.19Å; T60-S63 PolarHBondContact O-N 3.02Å; D61-S63 VanDerWaalsContact C-N 3.34Å; S63-R65 VanDerWaalsContact C-N 3.29Å; S63-R65 PolarHBondContact O-N 2.98Å; S63-W66 PolarHBondContact O-N 3.27Å; S63-R67 WeakPolarHBondContact O-CG 3.42Å; S63-R67 PolarHBondContact O-N 2.87Å; S63-M87 WeakPolarHBondContact O-CG 3.19Å; S63-M87 WeakPolarHBondContact OG-CA 3.48Å; S63-M87 VanDerWaalsContact OG-CB 3.23Å; S63-M87 WeakPolarHBondContact OG-CB 3.33Å; S63-M87 PolarHBondContact OG-O 2.9Å; S63-E91 WeakPolarHBondContact OG-CG 3.47Å; S63-E91 PolarHBondContact OG-OE1 3.42Å; S63-E91 VanDerWaalsContact OG-OE1 3.09Å
64	K	98.7	Very high	98.5	Very high	126 Å²	126	79.6 Å²	79.6	55%	0.548	39%	0.386	S	S	.	.	H	α-helix	trans	-56.8	-42.4	177.3	-177.7	179.3	178.1	-178.2	0	112.4	T60 Q68	T60-K64 WeakPolarHBondContact O-CB 3.15Å; T60-K64 PolarHBondContact O-N 2.89Å; K64-Q68 WeakPolarHBondContact O-CG 3.36Å; K64-Q68 PolarHBondContact O-N 2.88Å
65	R	98.6	Very high	98.4	Very high	165 Å²	165	81.4 Å²	81.4	62%	0.623	39%	0.387	S	S	*	.	H	α-helix	trans	-62.8	-51.2	178.7	175.7	-179.7	174.5	173.6	-1.2	111.4	D61 W62 S63 Q68 L69	D61-R65 WeakPolarHBondContact O-CB 3.23Å; D61-R65 PolarHBondContact O-N 2.59Å; W62-R65 PolarHBondContact O-N 2.98Å; S63-R65 VanDerWaalsContact C-N 3.29Å; S63-R65 PolarHBondContact O-N 2.98Å; R65-Q68 PolarHBondContact O-N 3.48Å; R65-L69 HydrophobicContact CG-CD1 4.17Å; R65-L69 WeakPolarHBondContact O-CG 3.37Å; R65-L69 PolarHBondContact O-N 2.81Å
66	W	98.8	Very high	98.3	Very high	91 Å²	91	80.2 Å²	80.2	35%	0.345	38%	0.382	S	S	.	.	H	α-helix	trans	-71.5	-35.7	-174.7	-82.5	102.2	0	0	0	113	W62 S63 Q68 L69 I70 W83 M87	W62-W66 AromaticContact CD1-CD1 3.51Å; W62-W66 AromaticContact CD1-NE1 3.65Å; W62-W66 AromaticContact CE2-CD1 3.52Å; W62-W66 AromaticContact CE2-NE1 3.96Å; W62-W66 AromaticContact CG-CD1 3.98Å; W62-W66 AromaticContact NE1-CD1 3.21Å; W62-W66 AromaticContact NE1-NE1 3.24Å; W62-W66 PolarHBondContact O-N 3.19Å; S63-W66 PolarHBondContact O-N 3.27Å; W66-Q68 VanDerWaalsContact C-N 3.31Å; W66-Q68 PolarHBondContact O-N 2.95Å; W66-L69 HydrophobicContact CD2-CD1 4.35Å; W66-L69 HydrophobicContact CE3-CB 4.46Å; W66-L69 HydrophobicContact CE3-CD1 4.16Å; W66-L69 HydrophobicContact CZ3-CD1 4.4Å; W66-L69 PolarHBondContact O-N 3.43Å; W66-L69 VanDerWaalsContact O-N 3.15Å; W66-I70 WeakPolarHBondContact O-CD1 3.49Å; W66-I70 WeakPolarHBondContact O-CG1 3.45Å; W66-I70 PolarHBondContact O-N 3.34Å; W66-W83 HydrophobicContact CE3-CZ2 4.35Å; W66-W83 HydrophobicContact CZ3-CZ2 4.07Å; W66-M87 HydrophobicContact CB-CG 3.95Å; W66-M87 HydrophobicContact CB-SD 3.66Å
67	R	98.4	Very high	98.3	Very high	47 Å²	47	81.5 Å²	81.5	18%	0.177	40%	0.396	C	S	.	.	H	α-helix	trans	-53	-50.9	169.9	-72.8	-173.2	-172.3	-71.8	9.8	111.5	S63 L69 I70 D71 M84 M87 T88 E91	S63-R67 WeakPolarHBondContact O-CG 3.42Å; S63-R67 PolarHBondContact O-N 2.87Å; R67-L69 VanDerWaalsContact C-N 3.28Å; R67-L69 PolarHBondContact O-N 2.84Å; R67-I70 PolarHBondContact O-N 2.91Å; R67-D71 WeakPolarHBondContact O-CB 3.45Å; R67-D71 PolarHBondContact O-N 3.14Å; R67-M84 HydrophobicContact CB-CE 3.92Å; R67-M84 HydrophobicContact CB-SD 4.23Å; R67-M84 HydrophobicContact CG-CE 3.92Å; R67-M84 HydrophobicContact CG-SD 4Å; R67-M84 PolarHBondContact NH1-O 3.14Å; R67-M87 HydrophobicContact CG-CB 3.6Å; R67-M87 HydrophobicContact CG-CG 3.8Å; R67-T88 PolarHBondContact NH1-OG1 3.45Å; R67-T88 PolarHBondContact NH2-OG1 2.96Å; R67-E91 IonicContact CZ-OE1 3.59Å; R67-E91 IonicContact CZ-OE2 3.24Å; R67-E91 IonicContact NE-OE1 2.75Å; R67-E91 PolarHBondContact NE-OE1 3.36Å; R67-E91 IonicContact NE-OE2 3.77Å; R67-E91 VanDerWaalsContact NH2-CD 3.34Å; R67-E91 IonicContact NH2-OE1 3.38Å; R67-E91 IonicContact NH2-OE2 2.91Å; R67-E91 PolarHBondContact NH2-OE2 2.88Å
68	Q	98.4	Very high	98.3	Very high	97 Å²	97	78.1 Å²	78.1	45%	0.453	38%	0.382	S	S	.	.	H	α-helix	trans	-63.3	-32.1	179.9	-70.4	179	6.3	0	0	113.9	K64 R65 W66 K72	K64-Q68 WeakPolarHBondContact O-CG 3.36Å; K64-Q68 PolarHBondContact O-N 2.88Å; R65-Q68 PolarHBondContact O-N 3.48Å; W66-Q68 VanDerWaalsContact C-N 3.31Å; W66-Q68 PolarHBondContact O-N 2.95Å; Q68-K72 WeakPolarHBondContact O-CB 3.29Å; Q68-K72 VanDerWaalsContact O-CG 3.31Å; Q68-K72 WeakPolarHBondContact O-CG 3.4Å; Q68-K72 PolarHBondContact O-N 2.87Å
69	L	98.5	Very high	98.2	Very high	88 Å²	88	74 Å²	74	46%	0.461	37%	0.367	S	S	.	.	H	α-helix	trans	-73.7	-39.2	177.5	-71.9	173.4	0	0	0	111.6	R65 W66 R67 G73	R65-L69 HydrophobicContact CG-CD1 4.17Å; R65-L69 WeakPolarHBondContact O-CG 3.37Å; R65-L69 PolarHBondContact O-N 2.81Å; W66-L69 HydrophobicContact CD2-CD1 4.35Å; W66-L69 HydrophobicContact CE3-CB 4.46Å; W66-L69 HydrophobicContact CE3-CD1 4.16Å; W66-L69 HydrophobicContact CZ3-CD1 4.4Å; W66-L69 PolarHBondContact O-N 3.43Å; W66-L69 VanDerWaalsContact O-N 3.15Å; R67-L69 VanDerWaalsContact C-N 3.28Å; R67-L69 PolarHBondContact O-N 2.84Å; L69-G73 PolarHBondContact O-N 2.89Å
70	I	98.1	Very high	98.2	Very high	5 Å²	5	74.9 Å²	74.9	3%	0.026	37%	0.37	C	S	.	.	H	α-helix	trans	-71.6	-46.9	178.4	-66.2	160.8	0	0	0	110.2	W66 R67 K72 G73 E80 W83 M84 M87	W66-I70 WeakPolarHBondContact O-CD1 3.49Å; W66-I70 WeakPolarHBondContact O-CG1 3.45Å; W66-I70 PolarHBondContact O-N 3.34Å; R67-I70 PolarHBondContact O-N 2.91Å; I70-K72 PolarHBondContact O-N 2.79Å; I70-K72 VanDerWaalsContact O-N 3.11Å; I70-G73 WeakPolarHBondContact O-CA 3.16Å; I70-G73 PolarHBondContact O-N 2.92Å; I70-E80 HydrophobicContact CG2-CG 3.75Å; I70-W83 HydrophobicContact CD1-CB 4.45Å; I70-W83 HydrophobicContact CD1-CD2 3.65Å; I70-W83 HydrophobicContact CD1-CE3 4.35Å; I70-W83 HydrophobicContact CD1-CG 3.68Å; I70-W83 HydrophobicContact CD1-CZ2 4.29Å; I70-W83 HydrophobicContact CG1-CD2 3.99Å; I70-W83 HydrophobicContact CG1-CE3 4.21Å; I70-W83 HydrophobicContact CG1-CG 4.47Å; I70-W83 HydrophobicContact CG1-CH2 4.46Å; I70-W83 HydrophobicContact CG1-CZ2 4.25Å; I70-W83 HydrophobicContact CG1-CZ3 4.44Å; I70-M84 HydrophobicContact CB-SD 3.92Å; I70-M84 HydrophobicContact CD1-SD 3.99Å; I70-M84 HydrophobicContact CG2-CG 3.97Å; I70-M84 HydrophobicContact CG2-SD 3.87Å; I70-M87 HydrophobicContact CD1-CE 3.27Å; I70-M87 HydrophobicContact CD1-SD 4.27Å
71	D	96.7	Very high	98.2	Very high	100 Å²	100	78.5 Å²	78.5	54%	0.535	38%	0.383	S	S	.	.	H	α-helix	trans	-56.6	-30.9	178	-74.3	-23.2	0	0	0	113	R67 M84	R67-D71 WeakPolarHBondContact O-CB 3.45Å; R67-D71 PolarHBondContact O-N 3.14Å; D71-M84 WeakPolarHBondContact OD1-CE 3.43Å
72	K	97.8	Very high	98.2	Very high	176 Å²	176	75 Å²	75	77%	0.765	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-7.6	177.3	-66.6	177.8	-175.7	175.1	0	112.9	Q68 I70	Q68-K72 WeakPolarHBondContact O-CB 3.29Å; Q68-K72 VanDerWaalsContact O-CG 3.31Å; Q68-K72 WeakPolarHBondContact O-CG 3.4Å; Q68-K72 PolarHBondContact O-N 2.87Å; I70-K72 PolarHBondContact O-N 2.79Å; I70-K72 VanDerWaalsContact O-N 3.11Å
73	G	97.8	Very high	98.2	Very high	30 Å²	30	75.6 Å²	75.6	31%	0.309	37%	0.368	S	S	.	.	S	Bend	trans	-78.6	174.1	-177.4	0	0	0	0	0	111.9	L69 I70 Q75	L69-G73 PolarHBondContact O-N 2.89Å; I70-G73 WeakPolarHBondContact O-CA 3.16Å; I70-G73 PolarHBondContact O-N 2.92Å; G73-Q75 VanDerWaalsContact C-N 3.3Å
74	P	97.8	Very high	98.2	Very high	126 Å²	126	76.8 Å²	76.8	82%	0.818	37%	0.374	S	S	*	.	S	Bend	trans	-84.9	-2.4	177.9	35.2	-36.2	0	0	0	113.3	Y76	P74-Y76 VanDerWaalsContact O-CD1 3.24Å; P74-Y76 WeakPolarHBondContact O-CD1 3.3Å
75	Q	98	Very high	98.1	Very high	66 Å²	66	71.2 Å²	71.2	31%	0.308	35%	0.352	S	S	.	.			trans	-75.6	139.2	177.9	-176.6	57.5	56.9	0	0	109.5	G73 E80 W83	G73-Q75 VanDerWaalsContact C-N 3.3Å; Q75-E80 HydrophobicContact CG-CB 3.97Å; Q75-E80 HydrophobicContact CG-CG 4.45Å; Q75-W83 HydrophobicContact CG-CE3 4.26Å
76	Y	97.1	Very high	98.1	Very high	81 Å²	81	67.4 Å²	67.4	32%	0.318	34%	0.342	S	S	.	.			trans	-141.4	176.8	-179.8	51.5	-98.7	0	0	0	111.2	P74 E80 W284 F285	P74-Y76 VanDerWaalsContact O-CD1 3.24Å; P74-Y76 WeakPolarHBondContact O-CD1 3.3Å; Y76-E80 VanDerWaalsContact C-CB 3.41Å; Y76-E80 VanDerWaalsContact CA-OE2 3.31Å; Y76-E80 WeakPolarHBondContact CA-OE2 3.46Å; Y76-E80 PolarHBondContact O-N 3.42Å; Y76-W284 HydrophobicContact CD1-CZ3 4.27Å; Y76-W284 AromaticContact CD2-CE3 3.69Å; Y76-W284 HydrophobicContact CD2-CE3 3.69Å; Y76-W284 HydrophobicContact CD2-CH2 4.34Å; Y76-W284 AromaticContact CD2-CZ3 3.41Å; Y76-W284 HydrophobicContact CD2-CZ3 3.41Å; Y76-W284 VanDerWaalsContact CD2-CZ3 3.41Å; Y76-W284 HydrophobicContact CE1-CZ3 4.36Å; Y76-W284 AromaticContact CE2-CE3 3.66Å; Y76-W284 HydrophobicContact CE2-CE3 3.66Å; Y76-W284 AromaticContact CE2-CZ3 3.53Å; Y76-W284 HydrophobicContact CE2-CZ3 3.53Å; Y76-W284 HydrophobicContact CG-CH2 4.41Å; Y76-W284 AromaticContact CG-CZ3 3.82Å; Y76-W284 HydrophobicContact CG-CZ3 3.82Å; Y76-F285 HydrophobicContact CE1-CD2 4.21Å; Y76-F285 HydrophobicContact CE2-CB 4.43Å; Y76-F285 HydrophobicContact CE2-CD2 4.36Å; Y76-F285 AromaticContact CZ-CD2 3.63Å; Y76-F285 WeakPolarHBondContact OH-CD2 3.38Å; Y76-F285 WeakPolarHBondContact OH-CG 3.48Å
77	G	97.6	Very high	98.1	Very high	29 Å²	29	63.1 Å²	63.1	30%	0.299	33%	0.326	S	S	.	.	H	α-helix	trans	77.4	-154.6	165.6	0	0	0	0	0	114	V79 E80 Q81	G77-V79 VanDerWaalsContact C-N 3.33Å; G77-V79 PolarHBondContact O-N 3.1Å; G77-E80 WeakPolarHBondContact O-CB 3.31Å; G77-E80 PolarHBondContact O-N 3.38Å; G77-Q81 WeakPolarHBondContact O-CG 3.41Å; G77-Q81 PolarHBondContact O-N 3.12Å
78	S	98.3	Very high	98.1	Very high	21 Å²	21	63.3 Å²	63.3	15%	0.147	33%	0.332	C	S	.	.	H	α-helix	trans	-68.7	-30.9	-176.3	66.8	0	0	0	0	112.6	Q81 A82 S277 D281	S78-Q81 WeakPolarHBondContact O-CB 3.46Å; S78-Q81 PolarHBondContact O-N 3Å; S78-A82 PolarHBondContact O-N 2.89Å; S78-S277 PolarHBondContact OG-N 3.33Å; S78-S277 PolarHBondContact OG-O 3.48Å; S78-D281 WeakPolarHBondContact CB-OD1 3.44Å; S78-D281 VanDerWaalsContact N-CG 3.34Å; S78-D281 PolarHBondContact N-OD1 3.48Å; S78-D281 PolarHBondContact N-OD2 2.97Å; S78-D281 VanDerWaalsContact N-OD2 3.1Å; S78-D281 VanDerWaalsContact OG-CG 3.22Å; S78-D281 PolarHBondContact OG-OD1 3.38Å; S78-D281 PolarHBondContact OG-OD2 2.81Å
79	V	98.4	Very high	98.2	Very high	54 Å²	54	60.4 Å²	60.4	33%	0.327	32%	0.319	S	S	.	.	H	α-helix	trans	-70.9	-34.5	174.3	177.2	0	0	0	0	111.9	G77 A82 W83 A276 D281	G77-V79 VanDerWaalsContact C-N 3.33Å; G77-V79 PolarHBondContact O-N 3.1Å; V79-A82 PolarHBondContact O-N 2.95Å; V79-W83 PolarHBondContact O-N 3.18Å; V79-A276 HydrophobicContact CG2-CB 4.3Å; V79-D281 PolarHBondContact N-OD2 3.34Å; V79-D281 VanDerWaalsContact N-OD2 3.12Å
80	E	98.4	Very high	98.2	Very high	42 Å²	42	56.2 Å²	56.2	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-46	170.8	-173.3	-168.8	-170.6	0	0	110.9	I70 Q75 Y76 G77 A82 W83 M84	I70-E80 HydrophobicContact CG2-CG 3.75Å; Q75-E80 HydrophobicContact CG-CB 3.97Å; Q75-E80 HydrophobicContact CG-CG 4.45Å; Y76-E80 VanDerWaalsContact C-CB 3.41Å; Y76-E80 VanDerWaalsContact CA-OE2 3.31Å; Y76-E80 WeakPolarHBondContact CA-OE2 3.46Å; Y76-E80 PolarHBondContact O-N 3.42Å; G77-E80 WeakPolarHBondContact O-CB 3.31Å; G77-E80 PolarHBondContact O-N 3.38Å; E80-A82 VanDerWaalsContact C-N 3.34Å; E80-A82 PolarHBondContact O-N 3.37Å; E80-W83 PolarHBondContact O-N 3.01Å; E80-M84 HydrophobicContact CG-CG 4.4Å; E80-M84 WeakPolarHBondContact O-CB 3.3Å; E80-M84 VanDerWaalsContact O-CG 3.24Å; E80-M84 WeakPolarHBondContact O-CG 3.33Å; E80-M84 PolarHBondContact O-N 2.83Å
81	Q	98.3	Very high	98.2	Very high	127 Å²	127	59 Å²	59	59%	0.593	31%	0.31	S	S	*	.	H	α-helix	trans	-59.5	-42.9	176.9	-67.7	-83.3	-45.6	0	0	111.9	G77 S78 M84 A85	G77-Q81 WeakPolarHBondContact O-CG 3.41Å; G77-Q81 PolarHBondContact O-N 3.12Å; S78-Q81 WeakPolarHBondContact O-CB 3.46Å; S78-Q81 PolarHBondContact O-N 3Å; Q81-M84 PolarHBondContact O-N 3.01Å; Q81-A85 PolarHBondContact O-N 3.3Å
82	A	98.5	Very high	98.3	Very high	10 Å²	10	57.9 Å²	57.9	8%	0.083	30%	0.3	C	S	.	.	H	α-helix	trans	-62.7	-43.4	175.4	0	0	0	0	0	112.6	S78 V79 E80 A85 I273 A276	S78-A82 PolarHBondContact O-N 2.89Å; V79-A82 PolarHBondContact O-N 2.95Å; E80-A82 VanDerWaalsContact C-N 3.34Å; E80-A82 PolarHBondContact O-N 3.37Å; A82-A85 VanDerWaalsContact O-CB 3.29Å; A82-A85 WeakPolarHBondContact O-CB 2.97Å; A82-A85 PolarHBondContact O-N 2.88Å; A82-I273 HydrophobicContact CB-CG1 4.33Å; A82-A276 HydrophobicContact CB-CB 3.97Å
83	W	98.5	Very high	98.3	Very high	106 Å²	106	49.7 Å²	49.7	40%	0.402	27%	0.265	S	S	.	.	H	α-helix	trans	-63.8	-45.7	174.5	-166	-4.3	0	0	0	110.6	W66 I70 Q75 V79 E80 A85 M86 M87	W66-W83 HydrophobicContact CE3-CZ2 4.35Å; W66-W83 HydrophobicContact CZ3-CZ2 4.07Å; I70-W83 HydrophobicContact CD1-CB 4.45Å; I70-W83 HydrophobicContact CD1-CD2 3.65Å; I70-W83 HydrophobicContact CD1-CE3 4.35Å; I70-W83 HydrophobicContact CD1-CG 3.68Å; I70-W83 HydrophobicContact CD1-CZ2 4.29Å; I70-W83 HydrophobicContact CG1-CD2 3.99Å; I70-W83 HydrophobicContact CG1-CE3 4.21Å; I70-W83 HydrophobicContact CG1-CG 4.47Å; I70-W83 HydrophobicContact CG1-CH2 4.46Å; I70-W83 HydrophobicContact CG1-CZ2 4.25Å; I70-W83 HydrophobicContact CG1-CZ3 4.44Å; Q75-W83 HydrophobicContact CG-CE3 4.26Å; V79-W83 PolarHBondContact O-N 3.18Å; E80-W83 PolarHBondContact O-N 3.01Å; W83-A85 PolarHBondContact O-N 3.12Å; W83-A85 VanDerWaalsContact O-N 3.13Å; W83-M86 WeakPolarHBondContact O-CB 3.39Å; W83-M86 PolarHBondContact O-N 3.4Å; W83-M87 WeakPolarHBondContact O-CE 3.48Å
84	M	98.6	Very high	98.4	Very high	26 Å²	26	48.4 Å²	48.4	13%	0.128	25%	0.251	C	S	.	.	H	α-helix	trans	-58.4	-24.9	176.4	-73.3	-65.8	-99.5	0	0	113.8	R67 I70 D71 E80 Q81 M86 M87 T88	R67-M84 HydrophobicContact CB-CE 3.92Å; R67-M84 HydrophobicContact CB-SD 4.23Å; R67-M84 HydrophobicContact CG-CE 3.92Å; R67-M84 HydrophobicContact CG-SD 4Å; R67-M84 PolarHBondContact NH1-O 3.14Å; I70-M84 HydrophobicContact CB-SD 3.92Å; I70-M84 HydrophobicContact CD1-SD 3.99Å; I70-M84 HydrophobicContact CG2-CG 3.97Å; I70-M84 HydrophobicContact CG2-SD 3.87Å; D71-M84 WeakPolarHBondContact OD1-CE 3.43Å; E80-M84 HydrophobicContact CG-CG 4.4Å; E80-M84 WeakPolarHBondContact O-CB 3.3Å; E80-M84 VanDerWaalsContact O-CG 3.24Å; E80-M84 WeakPolarHBondContact O-CG 3.33Å; E80-M84 PolarHBondContact O-N 2.83Å; Q81-M84 PolarHBondContact O-N 3.01Å; M84-M86 VanDerWaalsContact C-N 3.32Å; M84-M86 PolarHBondContact O-N 2.72Å; M84-M87 HydrophobicContact CB-CE 4.49Å; M84-M87 PolarHBondContact O-N 3.36Å; M84-M87 HydrophobicContact SD-CE 3.79Å; M84-T88 PolarHBondContact O-N 3.35Å; M84-T88 PolarHBondContact O-OG1 3.47Å
85	A	98.6	Very high	98.4	Very high	9 Å²	9	47.4 Å²	47.4	7%	0.074	24%	0.239	C	C	.	.	H	α-helix	trans	-66.3	-30.2	176.3	0	0	0	0	0	113.2	Q81 A82 W83 M87 T88 E89 L269 V272	Q81-A85 PolarHBondContact O-N 3.3Å; A82-A85 VanDerWaalsContact O-CB 3.29Å; A82-A85 WeakPolarHBondContact O-CB 2.97Å; A82-A85 PolarHBondContact O-N 2.88Å; W83-A85 PolarHBondContact O-N 3.12Å; W83-A85 VanDerWaalsContact O-N 3.13Å; A85-M87 VanDerWaalsContact C-N 3.3Å; A85-M87 PolarHBondContact O-N 2.96Å; A85-T88 WeakPolarHBondContact O-CB 3.49Å; A85-T88 PolarHBondContact O-N 3.05Å; A85-T88 VanDerWaalsContact O-N 3.15Å; A85-E89 PolarHBondContact O-N 3.4Å; A85-L269 HydrophobicContact CB-CD1 3.67Å; A85-V272 HydrophobicContact CB-CB 3.89Å; A85-V272 HydrophobicContact CB-CG1 3.75Å
86	M	98.4	Very high	98.4	Very high	84 Å²	84	44.9 Å²	44.9	41%	0.414	23%	0.227	S	C	.	.	H	α-helix	trans	-62	-39.5	175.2	-64.6	-177.9	64.9	0	0	111.7	W62 W83 M84 T88 E89 A90 L269	W62-M86 HydrophobicContact CH2-CB 4.24Å; W83-M86 WeakPolarHBondContact O-CB 3.39Å; W83-M86 PolarHBondContact O-N 3.4Å; M84-M86 VanDerWaalsContact C-N 3.32Å; M84-M86 PolarHBondContact O-N 2.72Å; M86-T88 VanDerWaalsContact C-N 3.31Å; M86-T88 PolarHBondContact O-N 3.14Å; M86-E89 WeakPolarHBondContact O-CB 3.48Å; M86-E89 PolarHBondContact O-N 3.12Å; M86-A90 PolarHBondContact O-N 3.06Å; M86-L269 HydrophobicContact CG-CD1 4.39Å
87	M	98.7	Very high	98.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-68.6	-33.5	176.2	-80.2	70.1	58.5	0	0	112	W62 S63 W66 R67 I70 W83 M84 A85 E91	W62-M87 HydrophobicContact CH2-CG 4.33Å; W62-M87 HydrophobicContact CH2-SD 3.75Å; W62-M87 HydrophobicContact CZ2-SD 4.37Å; W62-M87 HydrophobicContact CZ3-CG 4.03Å; W62-M87 HydrophobicContact CZ3-SD 4.07Å; S63-M87 WeakPolarHBondContact O-CG 3.19Å; S63-M87 WeakPolarHBondContact OG-CA 3.48Å; S63-M87 VanDerWaalsContact OG-CB 3.23Å; S63-M87 WeakPolarHBondContact OG-CB 3.33Å; S63-M87 PolarHBondContact OG-O 2.9Å; W66-M87 HydrophobicContact CB-CG 3.95Å; W66-M87 HydrophobicContact CB-SD 3.66Å; R67-M87 HydrophobicContact CG-CB 3.6Å; R67-M87 HydrophobicContact CG-CG 3.8Å; I70-M87 HydrophobicContact CD1-CE 3.27Å; I70-M87 HydrophobicContact CD1-SD 4.27Å; W83-M87 WeakPolarHBondContact O-CE 3.48Å; M84-M87 HydrophobicContact CB-CE 4.49Å; M84-M87 PolarHBondContact O-N 3.36Å; M84-M87 HydrophobicContact SD-CE 3.79Å; A85-M87 VanDerWaalsContact C-N 3.3Å; A85-M87 PolarHBondContact O-N 2.96Å; M87-E91 WeakPolarHBondContact O-CG 3.43Å; M87-E91 PolarHBondContact O-N 2.89Å; M87-E91 VanDerWaalsContact O-N 3.1Å
88	T	98.6	Very high	98.6	Very high	52 Å²	52	43.4 Å²	43.4	32%	0.319	22%	0.22	S	C	.	.	H	α-helix	trans	-68.1	-37.5	173.7	-55.2	0	0	0	0	111.6	R67 M84 A85 M86 K92	R67-T88 PolarHBondContact NH1-OG1 3.45Å; R67-T88 PolarHBondContact NH2-OG1 2.96Å; M84-T88 PolarHBondContact O-N 3.35Å; M84-T88 PolarHBondContact O-OG1 3.47Å; A85-T88 WeakPolarHBondContact O-CB 3.49Å; A85-T88 PolarHBondContact O-N 3.05Å; A85-T88 VanDerWaalsContact O-N 3.15Å; M86-T88 VanDerWaalsContact C-N 3.31Å; M86-T88 PolarHBondContact O-N 3.14Å; T88-K92 WeakPolarHBondContact O-CG 3.49Å; T88-K92 PolarHBondContact O-N 2.83Å; T88-K92 VanDerWaalsContact O-N 3.16Å
89	E	98.6	Very high	98.5	Very high	35 Å²	35	46.7 Å²	46.7	16%	0.164	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-51.7	173.2	176.9	-84.7	164.2	0	0	110.9	A85 M86 E91 K92 V93 I265 Y266 L269	A85-E89 PolarHBondContact O-N 3.4Å; M86-E89 WeakPolarHBondContact O-CB 3.48Å; M86-E89 PolarHBondContact O-N 3.12Å; E89-E91 VanDerWaalsContact C-N 3.31Å; E89-E91 PolarHBondContact O-N 3.08Å; E89-K92 PolarHBondContact O-N 3.05Å; E89-V93 HydrophobicContact CG-CG2 4.48Å; E89-V93 WeakPolarHBondContact O-CG2 3.39Å; E89-V93 PolarHBondContact O-N 2.85Å; E89-V93 VanDerWaalsContact OE1-CG2 3.25Å; E89-V93 WeakPolarHBondContact OE1-CG2 3.47Å; E89-I265 HydrophobicContact CB-CG2 4.14Å; E89-I265 HydrophobicContact CG-CG2 3.51Å; E89-Y266 HydrophobicContact CG-CD1 4.41Å; E89-Y266 HydrophobicContact CG-CE1 4.17Å; E89-Y266 VanDerWaalsContact OE1-CE1 3.25Å; E89-Y266 WeakPolarHBondContact OE1-CE1 3.27Å; E89-Y266 PolarHBondContact OE1-OH 3.21Å; E89-L269 HydrophobicContact CB-CD1 4.44Å; E89-L269 HydrophobicContact CB-CD2 4.05Å; E89-L269 HydrophobicContact CG-CD2 3.96Å
90	A	98.8	Very high	98.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-38.4	-178.7	0	0	0	0	0	113	L59 W62 M86 V93 S94	L59-A90 HydrophobicContact CB-CB 4.42Å; L59-A90 HydrophobicContact CD2-CB 4.15Å; W62-A90 HydrophobicContact CE3-CB 3.69Å; W62-A90 HydrophobicContact CZ3-CB 3.52Å; M86-A90 PolarHBondContact O-N 3.06Å; A90-V93 PolarHBondContact O-N 2.89Å; A90-S94 VanDerWaalsContact O-CB 3.29Å; A90-S94 WeakPolarHBondContact O-CB 3.34Å; A90-S94 PolarHBondContact O-N 2.87Å
91	E	98.6	Very high	98.5	Very high	64 Å²	64	45 Å²	45	30%	0.299	22%	0.22	S	C	.	.	H	α-helix	trans	-62.4	-46	173.3	-77.7	166.4	-178.9	0	0	111.7	S63 R67 M87 E89 V93 S94 D95	S63-E91 WeakPolarHBondContact OG-CG 3.47Å; S63-E91 PolarHBondContact OG-OE1 3.42Å; S63-E91 VanDerWaalsContact OG-OE1 3.09Å; R67-E91 IonicContact CZ-OE1 3.59Å; R67-E91 IonicContact CZ-OE2 3.24Å; R67-E91 IonicContact NE-OE1 2.75Å; R67-E91 PolarHBondContact NE-OE1 3.36Å; R67-E91 IonicContact NE-OE2 3.77Å; R67-E91 VanDerWaalsContact NH2-CD 3.34Å; R67-E91 IonicContact NH2-OE1 3.38Å; R67-E91 IonicContact NH2-OE2 2.91Å; R67-E91 PolarHBondContact NH2-OE2 2.88Å; M87-E91 WeakPolarHBondContact O-CG 3.43Å; M87-E91 PolarHBondContact O-N 2.89Å; M87-E91 VanDerWaalsContact O-N 3.1Å; E89-E91 VanDerWaalsContact C-N 3.31Å; E89-E91 PolarHBondContact O-N 3.08Å; E91-V93 PolarHBondContact O-N 3.35Å; E91-S94 VanDerWaalsContact O-CB 3.31Å; E91-S94 WeakPolarHBondContact O-CB 3.28Å; E91-S94 PolarHBondContact O-N 2.79Å; E91-D95 PolarHBondContact O-N 2.78Å
92	K	98.5	Very high	98.6	Very high	76 Å²	76	42.2 Å²	42.2	33%	0.33	21%	0.209	S	C	.	.	H	α-helix	trans	-66.7	-37	178.4	-69.5	179.8	-179.5	-179.1	0	112.3	T88 E89 D95 L96 I265 D268	T88-K92 WeakPolarHBondContact O-CG 3.49Å; T88-K92 PolarHBondContact O-N 2.83Å; T88-K92 VanDerWaalsContact O-N 3.16Å; E89-K92 PolarHBondContact O-N 3.05Å; K92-D95 PolarHBondContact O-N 2.73Å; K92-L96 PolarHBondContact O-N 2.99Å; K92-I265 HydrophobicContact CB-CD1 3.62Å; K92-I265 HydrophobicContact CB-CG1 3.76Å; K92-I265 HydrophobicContact CB-CG2 4.38Å; K92-I265 HydrophobicContact CD-CG1 3.92Å; K92-D268 IonicContact NZ-OD2 3.7Å; K92-D268 PolarHBondContact NZ-OD2 3.28Å
93	V	98.7	Very high	98.6	Very high	3 Å²	3	44 Å²	44	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-66.4	-42.3	173.6	173.4	0	0	0	0	110.4	Y55 L59 E89 A90 E91 D95 L96 H97 Y262 I265	Y55-V93 HydrophobicContact CE1-CG1 4.22Å; L59-V93 HydrophobicContact CD1-CB 4.05Å; L59-V93 HydrophobicContact CD1-CG1 3.64Å; E89-V93 HydrophobicContact CG-CG2 4.48Å; E89-V93 WeakPolarHBondContact O-CG2 3.39Å; E89-V93 PolarHBondContact O-N 2.85Å; E89-V93 VanDerWaalsContact OE1-CG2 3.25Å; E89-V93 WeakPolarHBondContact OE1-CG2 3.47Å; A90-V93 PolarHBondContact O-N 2.89Å; E91-V93 PolarHBondContact O-N 3.35Å; V93-D95 VanDerWaalsContact C-N 3.29Å; V93-D95 PolarHBondContact O-N 3.17Å; V93-L96 PolarHBondContact O-N 3.2Å; V93-L96 VanDerWaalsContact O-N 3.17Å; V93-H97 PolarHBondContact O-CD2 3.24Å; V93-H97 VanDerWaalsContact O-CD2 3.3Å; V93-H97 PolarHBondContact O-N 2.99Å; V93-Y262 HydrophobicContact CG2-CE2 4.47Å; V93-I265 HydrophobicContact CG2-CD1 4.26Å; V93-I265 HydrophobicContact CG2-CG2 4.29Å
94	S	98.8	Very high	98.6	Very high	3 Å²	3	39 Å²	39	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-55.3	-43.9	172.8	171.2	0	0	0	0	112.3	A56 T60 A90 E91 L96 H97 T98	A56-S94 WeakPolarHBondContact CB-O 3.5Å; A56-S94 WeakPolarHBondContact CB-OG 3.42Å; A56-S94 WeakPolarHBondContact O-CB 3.47Å; A56-S94 PolarHBondContact O-OG 2.93Å; T60-S94 PolarHBondContact OG1-OG 2.81Å; A90-S94 VanDerWaalsContact O-CB 3.29Å; A90-S94 WeakPolarHBondContact O-CB 3.34Å; A90-S94 PolarHBondContact O-N 2.87Å; E91-S94 VanDerWaalsContact O-CB 3.31Å; E91-S94 WeakPolarHBondContact O-CB 3.28Å; E91-S94 PolarHBondContact O-N 2.79Å; S94-L96 PolarHBondContact O-N 3.01Å; S94-H97 PolarHBondContact O-N 3.5Å; S94-T98 WeakPolarHBondContact O-CB 3.45Å; S94-T98 PolarHBondContact O-N 3.35Å; S94-T98 PolarHBondContact O-OG1 3.25Å
95	D	98.5	Very high	98.6	Very high	105 Å²	105	39.7 Å²	39.7	56%	0.561	20%	0.2	S	C	*	.	H	α-helix	trans	-60.9	-43.7	177.3	-71	-22.6	0	0	0	111.6	E91 K92 V93 H97 T98 E99	E91-D95 PolarHBondContact O-N 2.78Å; K92-D95 PolarHBondContact O-N 2.73Å; V93-D95 VanDerWaalsContact C-N 3.29Å; V93-D95 PolarHBondContact O-N 3.17Å; D95-H97 PolarHBondContact O-N 3.03Å; D95-T98 WeakPolarHBondContact O-CB 3.48Å; D95-T98 PolarHBondContact O-N 2.97Å; D95-E99 WeakPolarHBondContact O-CB 3.41Å; D95-E99 PolarHBondContact O-N 3.39Å
96	L	98.5	Very high	98.6	Very high	13 Å²	13	42.8 Å²	42.8	7%	0.068	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-41.7	177	-69.6	177.6	0	0	0	112.6	K92 V93 S94 T98 E99 M100 L256 Y262 I265	K92-L96 PolarHBondContact O-N 2.99Å; V93-L96 PolarHBondContact O-N 3.2Å; V93-L96 VanDerWaalsContact O-N 3.17Å; S94-L96 PolarHBondContact O-N 3.01Å; L96-T98 VanDerWaalsContact C-N 3.34Å; L96-E99 PolarHBondContact O-N 2.55Å; L96-M100 WeakPolarHBondContact O-CB 3.43Å; L96-M100 PolarHBondContact O-N 2.89Å; L96-L256 HydrophobicContact CB-CD2 4.28Å; L96-Y262 HydrophobicContact CD1-CD2 3.77Å; L96-Y262 HydrophobicContact CD1-CG 4.41Å; L96-I265 HydrophobicContact CD1-CD1 3.46Å; L96-I265 VanDerWaalsContact CD1-CD1 3.46Å; L96-I265 HydrophobicContact CG-CD1 4.27Å
97	H	98.7	Very high	98.6	Very high	26 Å²	26	43.3 Å²	43.3	12%	0.12	22%	0.223	C	C	.	.	H	α-helix	trans	-70	-32.6	176.1	-81	-92.6	0	0	0	112.1	E52 Y55 A56 V93 S94 D95 M100 K101	E52-H97 IonicContact OE2-CE1 3.93Å; E52-H97 PolarHBondContact OE2-CE1 3.24Å; E52-H97 IonicContact OE2-CG 3.4Å; E52-H97 IonicContact OE2-ND1 3.87Å; E52-H97 PolarHBondContact OE2-ND1 2.9Å; Y55-H97 HydrophobicContact CD1-CB 4.47Å; Y55-H97 AromaticContact CD1-CD2 3.82Å; Y55-H97 AromaticContact CD1-CE1 3.69Å; Y55-H97 AromaticContact CD1-CG 3.76Å; Y55-H97 AromaticContact CD1-ND1 3.68Å; Y55-H97 AromaticContact CD1-NE2 3.79Å; Y55-H97 AromaticContact CE1-CD2 3.76Å; Y55-H97 AromaticContact CE1-CE1 3.84Å; Y55-H97 AromaticContact CE1-NE2 3.53Å; A56-H97 HydrophobicContact CB-CB 4Å; V93-H97 PolarHBondContact O-CD2 3.24Å; V93-H97 VanDerWaalsContact O-CD2 3.3Å; V93-H97 PolarHBondContact O-N 2.99Å; S94-H97 PolarHBondContact O-N 3.5Å; D95-H97 PolarHBondContact O-N 3.03Å; H97-M100 PolarHBondContact O-N 3.45Å; H97-K101 WeakPolarHBondContact O-CB 3.28Å; H97-K101 PolarHBondContact O-N 2.88Å
98	T	98.6	Very high	98.6	Very high	54 Å²	54	43.3 Å²	43.3	33%	0.331	22%	0.223	S	C	.	.	H	α-helix	trans	-65.5	-42.1	172.1	-61.9	0	0	0	0	111.3	A56 S94 D95 L96 K101 N102	A56-T98 WeakPolarHBondContact CB-OG1 3.14Å; S94-T98 WeakPolarHBondContact O-CB 3.45Å; S94-T98 PolarHBondContact O-N 3.35Å; S94-T98 PolarHBondContact O-OG1 3.25Å; D95-T98 WeakPolarHBondContact O-CB 3.48Å; D95-T98 PolarHBondContact O-N 2.97Å; L96-T98 VanDerWaalsContact C-N 3.34Å; T98-K101 PolarHBondContact O-N 3.3Å; T98-N102 PolarHBondContact O-N 2.85Å; T98-N102 PolarHBondContact O-ND2 2.77Å
99	E	98.1	Very high	98.6	Very high	90 Å²	90	42.2 Å²	42.2	42%	0.421	21%	0.214	S	C	.	.	H	α-helix	trans	-63.6	-45.7	174.6	-174.4	178.7	-170.2	0	0	111.4	D95 L96 K101 N102 H103	D95-E99 WeakPolarHBondContact O-CB 3.41Å; D95-E99 PolarHBondContact O-N 3.39Å; L96-E99 PolarHBondContact O-N 2.55Å; E99-K101 PolarHBondContact O-N 2.69Å; E99-N102 CarbonylContact O-C 3.46Å; E99-N102 WeakPolarHBondContact O-CA 3.36Å; E99-N102 WeakPolarHBondContact O-CB 3.15Å; E99-N102 PolarHBondContact O-N 2.91Å; E99-H103 WeakPolarHBondContact CG-CE1 3.39Å; E99-H103 PolarHBondContact O-N 2.89Å; E99-H103 PolarHBondContact O-ND1 3.47Å; E99-H103 IonicContact OE1-CE1 2.69Å; E99-H103 PolarHBondContact OE1-CE1 3.12Å
100	M	98.3	Very high	98.6	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.03	22%	0.219	C	C	.	.	H	α-helix	trans	-54.9	-50.4	173.3	179.9	-174.4	-58.1	0	0	111.4	E52 L96 H97 N102 H103 L104 H253 L254 L256	E52-M100 HydrophobicContact CG-CG 4.33Å; E52-M100 HydrophobicContact CG-SD 3.76Å; L96-M100 WeakPolarHBondContact O-CB 3.43Å; L96-M100 PolarHBondContact O-N 2.89Å; H97-M100 PolarHBondContact O-N 3.45Å; M100-N102 PolarHBondContact O-N 2.89Å; M100-H103 PolarHBondContact O-N 2.85Å; M100-L104 HydrophobicContact CG-CD1 4.38Å; M100-L104 WeakPolarHBondContact O-CG 3.12Å; M100-L104 PolarHBondContact O-N 3.24Å; M100-H253 WeakPolarHBondContact CG-O 3.43Å; M100-L254 WeakPolarHBondContact CE-O 3.46Å; M100-L254 HydrophobicContact CG-CD2 3.98Å; M100-L254 HydrophobicContact SD-CD2 3.49Å; M100-L254 WeakPolarHBondContact SD-CD2 3.37Å; M100-L256 HydrophobicContact CE-CD1 3.83Å; M100-L256 HydrophobicContact CE-CD2 3.73Å; M100-L256 HydrophobicContact CE-CG 3.49Å; M100-L256 VanDerWaalsContact CE-CG 3.49Å
101	K	98.6	Very high	98.6	Very high	54 Å²	54	46.4 Å²	46.4	24%	0.235	23%	0.232	C	C	.	.	H	α-helix	trans	-56.9	-36.7	174.8	172.2	-95.3	150.9	-166.3	0	112	A49 E52 K53 H97 T98 E99 M105	A49-K101 HydrophobicContact CB-CG 4.06Å; A49-K101 WeakPolarHBondContact O-CG 3.26Å; E52-K101 HydrophobicContact CB-CB 3.99Å; K53-K101 HydrophobicContact CB-CG 4.14Å; H97-K101 WeakPolarHBondContact O-CB 3.28Å; H97-K101 PolarHBondContact O-N 2.88Å; T98-K101 PolarHBondContact O-N 3.3Å; E99-K101 PolarHBondContact O-N 2.69Å; K101-M105 VanDerWaalsContact O-CG 3.3Å; K101-M105 WeakPolarHBondContact O-CG 3.42Å; K101-M105 PolarHBondContact O-N 3.32Å
102	N	98.6	Very high	98.6	Very high	68 Å²	68	43.3 Å²	43.3	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-69.4	-49.5	178.7	-70.4	-26.7	0	0	0	110.6	T98 E99 M100 L104 M105 S106	T98-N102 PolarHBondContact O-N 2.85Å; T98-N102 PolarHBondContact O-ND2 2.77Å; E99-N102 CarbonylContact O-C 3.46Å; E99-N102 WeakPolarHBondContact O-CA 3.36Å; E99-N102 WeakPolarHBondContact O-CB 3.15Å; E99-N102 PolarHBondContact O-N 2.91Å; M100-N102 PolarHBondContact O-N 2.89Å; N102-L104 VanDerWaalsContact C-N 3.33Å; N102-L104 PolarHBondContact O-N 3.07Å; N102-M105 PolarHBondContact O-N 3.02Å; N102-S106 PolarHBondContact O-N 3.09Å; N102-S106 PolarHBondContact O-OG 3.42Å
103	H	98.6	Very high	98.6	Very high	49 Å²	49	43.8 Å²	43.8	23%	0.227	22%	0.22	C	C	.	.	H	α-helix	trans	-54.7	-46.8	175.5	-67	135.2	0	0	0	112.4	E99 M100 M105 E107 D108 H253	E99-H103 WeakPolarHBondContact CG-CE1 3.39Å; E99-H103 PolarHBondContact O-N 2.89Å; E99-H103 PolarHBondContact O-ND1 3.47Å; E99-H103 IonicContact OE1-CE1 2.69Å; E99-H103 PolarHBondContact OE1-CE1 3.12Å; M100-H103 PolarHBondContact O-N 2.85Å; H103-M105 PolarHBondContact O-N 3.26Å; H103-E107 IonicContact CD2-OE1 3.37Å; H103-E107 PolarHBondContact CD2-OE1 3.31Å; H103-E107 VanDerWaalsContact CD2-OE1 3.24Å; H103-E107 IonicContact NE2-OE1 2.71Å; H103-E107 WeakPolarHBondContact O-CA 3.11Å; H103-E107 VanDerWaalsContact O-CB 3.3Å; H103-E107 WeakPolarHBondContact O-CB 3.48Å; H103-E107 PolarHBondContact O-N 3.09Å; H103-D108 PolarHBondContact O-N 3.26Å; H103-H253 HydrophobicContact CB-CB 4.04Å
104	L	98.8	Very high	98.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-55.7	-39.1	176.1	-69.3	175.6	0	0	0	112.6	I45 R48 A49 E52 M100 N102 F109 V250 L254	I45-L104 HydrophobicContact CG2-CB 3.98Å; I45-L104 HydrophobicContact CG2-CD2 4.36Å; I45-L104 VanDerWaalsContact CG2-O 3.27Å; I45-L104 WeakPolarHBondContact CG2-O 3.39Å; R48-L104 HydrophobicContact CG-CD1 4.07Å; A49-L104 HydrophobicContact CB-CB 4.07Å; A49-L104 HydrophobicContact CB-CD1 4.03Å; E52-L104 HydrophobicContact CG-CD1 4.4Å; M100-L104 HydrophobicContact CG-CD1 4.38Å; M100-L104 WeakPolarHBondContact O-CG 3.12Å; M100-L104 PolarHBondContact O-N 3.24Å; N102-L104 VanDerWaalsContact C-N 3.33Å; N102-L104 PolarHBondContact O-N 3.07Å; L104-F109 VanDerWaalsContact O-CB 3.3Å; L104-F109 WeakPolarHBondContact O-CB 3.43Å; L104-F109 PolarHBondContact O-N 3.23Å; L104-V250 HydrophobicContact CD2-CG1 4.03Å; L104-V250 HydrophobicContact CD2-CG2 4.41Å; L104-L254 HydrophobicContact CD1-CD2 3.9Å; L104-L254 HydrophobicContact CD2-CD2 4.09Å; L104-L254 HydrophobicContact CD2-CG 4.34Å; L104-L254 HydrophobicContact CG-CD2 4.42Å
105	M	98.8	Very high	98.6	Very high	40 Å²	40	49.5 Å²	49.5	20%	0.197	25%	0.247	C	C	.	.	I	π-helix	trans	-91.3	-40.7	-174.1	-67.8	-55.5	-50.4	0	0	114.3	Q46 A49 K101 N102 H103 F109	Q46-M105 HydrophobicContact CB-CE 4.27Å; Q46-M105 HydrophobicContact CB-SD 4.05Å; Q46-M105 HydrophobicContact CG-CE 3.96Å; Q46-M105 HydrophobicContact CG-SD 4Å; A49-M105 HydrophobicContact CB-CG 3.7Å; A49-M105 HydrophobicContact CB-SD 3.63Å; K101-M105 VanDerWaalsContact O-CG 3.3Å; K101-M105 WeakPolarHBondContact O-CG 3.42Å; K101-M105 PolarHBondContact O-N 3.32Å; N102-M105 PolarHBondContact O-N 3.02Å; H103-M105 PolarHBondContact O-N 3.26Å; M105-F109 HydrophobicContact CE-CB 4.26Å; M105-F109 HydrophobicContact CE-CD1 4.15Å; M105-F109 HydrophobicContact CE-CD2 3.91Å; M105-F109 HydrophobicContact CE-CE2 4.27Å; M105-F109 HydrophobicContact CE-CG 3.86Å; M105-F109 WeakPolarHBondContact O-CB 3.47Å
106	S	98.4	Very high	98.6	Very high	74 Å²	74	45.7 Å²	45.7	52%	0.517	23%	0.225	S	C	.	.	I	π-helix	trans	-88.4	-22	-175.9	59.2	0	0	0	0	113	N102	N102-S106 PolarHBondContact O-N 3.09Å; N102-S106 PolarHBondContact O-OG 3.42Å
107	E	98.5	Very high	98.6	Very high	95 Å²	95	52.2 Å²	52.2	44%	0.444	25%	0.253	S	S	.	.	I	π-helix	trans	-109.6	-68.7	179	-55.2	-170.3	-158.2	0	0	110.3	H103 E110 K111 H253	H103-E107 IonicContact CD2-OE1 3.37Å; H103-E107 PolarHBondContact CD2-OE1 3.31Å; H103-E107 VanDerWaalsContact CD2-OE1 3.24Å; H103-E107 IonicContact NE2-OE1 2.71Å; H103-E107 WeakPolarHBondContact O-CA 3.11Å; H103-E107 VanDerWaalsContact O-CB 3.3Å; H103-E107 WeakPolarHBondContact O-CB 3.48Å; H103-E107 PolarHBondContact O-N 3.09Å; E107-E110 PolarHBondContact O-N 2.86Å; E107-K111 WeakPolarHBondContact O-CB 3.44Å; E107-K111 PolarHBondContact O-N 2.91Å; E107-H253 IonicContact OE2-CE1 3.85Å; E107-H253 IonicContact OE2-NE2 3.8Å
108	D	98.8	Very high	98.6	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.011	28%	0.277	C	S	.	.	I	π-helix	trans	-65.7	-49.3	-169.4	-56.8	-37.6	0	0	0	112.4	I45 H103 K111 V112 D249 V250 H253	I45-D108 HydrophobicContact CD1-CB 4.26Å; I45-D108 HydrophobicContact CG2-CB 4.5Å; H103-D108 PolarHBondContact O-N 3.26Å; D108-K111 PolarHBondContact O-N 2.99Å; D108-V112 WeakPolarHBondContact O-CG2 3.36Å; D108-V112 PolarHBondContact O-N 3.22Å; D108-V112 VanDerWaalsContact O-N 3.11Å; D108-D249 WeakPolarHBondContact OD1-CB 3.37Å; D108-V250 HydrophobicContact CB-CG2 3.78Å; D108-H253 VanDerWaalsContact CG-ND1 3.33Å; D108-H253 IonicContact OD1-CE1 3.63Å; D108-H253 PolarHBondContact OD1-CE1 3.25Å; D108-H253 IonicContact OD1-ND1 2.81Å; D108-H253 PolarHBondContact OD1-ND1 3.38Å; D108-H253 VanDerWaalsContact OD1-ND1 3.14Å; D108-H253 IonicContact OD2-CE1 3.76Å; D108-H253 IonicContact OD2-CG 3.64Å; D108-H253 IonicContact OD2-ND1 3.72Å; D108-H253 PolarHBondContact OD2-ND1 2.82Å
109	F	98.8	Very high	98.6	Very high	29 Å²	29	54.9 Å²	54.9	13%	0.127	27%	0.268	C	S	.	.	I	π-helix	trans	-61.7	-49.5	177.4	176.2	-81.8	0	0	0	112.1	M42 I45 Q46 L104 M105 K111 V112 K113	M42-F109 HydrophobicContact CB-CD2 3.79Å; M42-F109 HydrophobicContact CB-CE2 3.6Å; M42-F109 HydrophobicContact CB-CZ 4.39Å; M42-F109 HydrophobicContact CG-CD2 4.03Å; M42-F109 HydrophobicContact CG-CE2 4.07Å; M42-F109 WeakPolarHBondContact O-CD2 3.48Å; M42-F109 HydrophobicContact SD-CE2 4.33Å; M42-F109 HydrophobicContact SD-CZ 4.26Å; I45-F109 HydrophobicContact CG2-CB 4.27Å; Q46-F109 HydrophobicContact CB-CD2 4.35Å; Q46-F109 HydrophobicContact CB-CE2 4.33Å; L104-F109 VanDerWaalsContact O-CB 3.3Å; L104-F109 WeakPolarHBondContact O-CB 3.43Å; L104-F109 PolarHBondContact O-N 3.23Å; M105-F109 HydrophobicContact CE-CB 4.26Å; M105-F109 HydrophobicContact CE-CD1 4.15Å; M105-F109 HydrophobicContact CE-CD2 3.91Å; M105-F109 HydrophobicContact CE-CE2 4.27Å; M105-F109 HydrophobicContact CE-CG 3.86Å; M105-F109 WeakPolarHBondContact O-CB 3.47Å; F109-K111 VanDerWaalsContact C-N 3.29Å; F109-K111 PolarHBondContact O-N 2.77Å; F109-V112 PolarHBondContact O-N 2.91Å; F109-K113 HydrophobicContact CE1-CD 3.97Å; F109-K113 WeakPolarHBondContact O-CB 3.1Å; F109-K113 PolarHBondContact O-N 3.15Å
110	E	98.8	Very high	98.6	Very high	59 Å²	59	51.1 Å²	51.1	28%	0.276	25%	0.25	S	C	.	.	H	α-helix	trans	-67.6	-30.9	-180	-71.9	-64.2	134.5	0	0	111.6	E107 K113 N114	E107-E110 PolarHBondContact O-N 2.86Å; E110-K113 VanDerWaalsContact CD-NZ 3.29Å; E110-K113 PolarHBondContact O-N 3.47Å; E110-K113 WeakPolarHBondContact OE1-CD 3.35Å; E110-K113 IonicContact OE1-NZ 3.24Å; E110-K113 PolarHBondContact OE1-NZ 3.36Å; E110-K113 WeakPolarHBondContact OE2-CD 3.44Å; E110-K113 IonicContact OE2-NZ 2.61Å; E110-K113 PolarHBondContact OE2-NZ 3.36Å; E110-N114 VanDerWaalsContact O-CB 3.27Å; E110-N114 WeakPolarHBondContact O-CB 3.17Å; E110-N114 PolarHBondContact O-N 3.04Å; E110-N114 PolarHBondContact O-ND2 3.18Å
111	K	98.8	Very high	98.6	Very high	64 Å²	64	54.2 Å²	54.2	28%	0.278	26%	0.264	S	S	.	.	H	α-helix	trans	-61.5	-46.8	172.6	-176.5	173.2	-179.3	176.7	0	111.2	E107 D108 F109 W115 F242 E245 V246 D249	E107-K111 WeakPolarHBondContact O-CB 3.44Å; E107-K111 PolarHBondContact O-N 2.91Å; D108-K111 PolarHBondContact O-N 2.99Å; F109-K111 VanDerWaalsContact C-N 3.29Å; F109-K111 PolarHBondContact O-N 2.77Å; K111-W115 WeakPolarHBondContact O-CB 3.45Å; K111-W115 PolarHBondContact O-N 3.08Å; K111-F242 HydrophobicContact CG-CE2 3.98Å; K111-F242 HydrophobicContact CG-CZ 4.17Å; K111-E245 WeakPolarHBondContact CE-OE1 3.43Å; K111-E245 IonicContact NZ-OE1 2.87Å; K111-E245 PolarHBondContact NZ-OE1 2.61Å; K111-V246 HydrophobicContact CD-CG2 4.23Å; K111-V246 HydrophobicContact CG-CG2 4.37Å; K111-D249 IonicContact NZ-OD2 3.5Å; K111-D249 PolarHBondContact NZ-OD2 3.3Å
112	V	98.9	Very high	98.4	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.4	-46.4	174.5	-179.5	0	0	0	0	111.4	C38 L41 M42 I45 D108 F109 N114 W115 Q116 F242 V246	C38-V112 HydrophobicContact CB-CG1 3.96Å; L41-V112 HydrophobicContact CD2-CG2 3.94Å; L41-V112 HydrophobicContact CG-CG2 4.46Å; M42-V112 HydrophobicContact CG-CB 3.74Å; M42-V112 HydrophobicContact CG-CG1 3.55Å; M42-V112 HydrophobicContact SD-CB 4.34Å; M42-V112 HydrophobicContact SD-CG1 4.15Å; I45-V112 HydrophobicContact CD1-CG2 4.49Å; D108-V112 WeakPolarHBondContact O-CG2 3.36Å; D108-V112 PolarHBondContact O-N 3.22Å; D108-V112 VanDerWaalsContact O-N 3.11Å; F109-V112 PolarHBondContact O-N 2.91Å; V112-N114 PolarHBondContact O-N 3.17Å; V112-W115 PolarHBondContact O-N 3.36Å; V112-Q116 VanDerWaalsContact O-CB 3.26Å; V112-Q116 WeakPolarHBondContact O-CB 3.48Å; V112-Q116 PolarHBondContact O-N 2.72Å; V112-F242 HydrophobicContact CB-CE1 4.47Å; V112-F242 HydrophobicContact CG1-CE1 4.48Å; V112-F242 HydrophobicContact CG2-CE1 4.2Å; V112-F242 HydrophobicContact CG2-CZ 4.25Å; V112-V246 HydrophobicContact CG2-CB 4.41Å; V112-V246 HydrophobicContact CG2-CG1 3.72Å; V112-V246 HydrophobicContact CG2-CG2 4.03Å
113	K	98.8	Very high	98.2	Very high	86 Å²	86	60 Å²	60	37%	0.374	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-44.8	-179.6	-173.7	-175.8	172.4	-161	0	112.7	M42 F109 E110 K117	M42-K113 VanDerWaalsContact SD-CA 3.56Å; M42-K113 HydrophobicContact SD-CB 3.55Å; M42-K113 VanDerWaalsContact SD-CB 3.55Å; M42-K113 HydrophobicContact SD-CG 4.17Å; F109-K113 HydrophobicContact CE1-CD 3.97Å; F109-K113 WeakPolarHBondContact O-CB 3.1Å; F109-K113 PolarHBondContact O-N 3.15Å; E110-K113 VanDerWaalsContact CD-NZ 3.29Å; E110-K113 PolarHBondContact O-N 3.47Å; E110-K113 WeakPolarHBondContact OE1-CD 3.35Å; E110-K113 IonicContact OE1-NZ 3.24Å; E110-K113 PolarHBondContact OE1-NZ 3.36Å; E110-K113 WeakPolarHBondContact OE2-CD 3.44Å; E110-K113 IonicContact OE2-NZ 2.61Å; E110-K113 PolarHBondContact OE2-NZ 3.36Å; K113-K117 WeakPolarHBondContact O-CB 3.27Å; K113-K117 PolarHBondContact O-N 2.93Å
114	N	98.8	Very high	97.7	Very high	78 Å²	78	67 Å²	67	42%	0.417	32%	0.322	S	S	.	.	H	α-helix	trans	-67.5	-47	178.8	-70.5	-31.4	0	0	0	110.7	E110 V112 Q116 K117 D118	E110-N114 VanDerWaalsContact O-CB 3.27Å; E110-N114 WeakPolarHBondContact O-CB 3.17Å; E110-N114 PolarHBondContact O-N 3.04Å; E110-N114 PolarHBondContact O-ND2 3.18Å; V112-N114 PolarHBondContact O-N 3.17Å; N114-Q116 VanDerWaalsContact C-N 3.32Å; N114-Q116 PolarHBondContact O-N 2.95Å; N114-K117 WeakPolarHBondContact O-CB 3.15Å; N114-K117 PolarHBondContact O-N 2.9Å; N114-D118 VanDerWaalsContact O-CG 3.32Å; N114-D118 PolarHBondContact O-N 3.29Å
115	W	98.8	Very high	97.1	Very high	48 Å²	48	76.1 Å²	76.1	18%	0.182	37%	0.367	C	S	.	.	H	α-helix	trans	-59.5	-42.5	176.2	-175.7	91.7	0	0	0	112.2	K111 V112 D118 S119 Y120 R239 F242	K111-W115 WeakPolarHBondContact O-CB 3.45Å; K111-W115 PolarHBondContact O-N 3.08Å; V112-W115 PolarHBondContact O-N 3.36Å; W115-D118 PolarHBondContact O-N 3.42Å; W115-S119 VanDerWaalsContact CE2-OG 3.28Å; W115-S119 WeakPolarHBondContact CZ2-OG 3.49Å; W115-S119 WeakPolarHBondContact O-CB 3.19Å; W115-S119 PolarHBondContact O-N 3.02Å; W115-S119 PolarHBondContact O-OG 3.38Å; W115-Y120 HydrophobicContact CH2-CE2 4.32Å; W115-Y120 AromaticContact CZ3-CE2 3.82Å; W115-Y120 HydrophobicContact CZ3-CE2 3.82Å; W115-R239 HydrophobicContact CH2-CB 3.62Å; W115-R239 HydrophobicContact CH2-CG 3.64Å; W115-R239 HydrophobicContact CZ2-CB 4.21Å; W115-R239 HydrophobicContact CZ3-CB 4.47Å; W115-R239 HydrophobicContact CZ3-CG 3.99Å; W115-F242 HydrophobicContact CB-CD1 4.34Å; W115-F242 HydrophobicContact CB-CD2 4.29Å; W115-F242 HydrophobicContact CB-CE1 3.74Å; W115-F242 HydrophobicContact CB-CE2 3.67Å; W115-F242 HydrophobicContact CB-CZ 3.37Å; W115-F242 AromaticContact CD1-CD2 3.54Å; W115-F242 AromaticContact CD1-CE2 3.76Å; W115-F242 AromaticContact CD1-CG 3.76Å; W115-F242 HydrophobicContact CD2-CB 4.45Å; W115-F242 AromaticContact CD2-CD1 3.49Å; W115-F242 HydrophobicContact CD2-CD1 3.49Å; W115-F242 VanDerWaalsContact CD2-CD1 3.49Å; W115-F242 HydrophobicContact CD2-CD2 4.26Å; W115-F242 AromaticContact CD2-CE1 3.72Å; W115-F242 HydrophobicContact CD2-CE1 3.72Å; W115-F242 HydrophobicContact CD2-CE2 4.44Å; W115-F242 AromaticContact CD2-CG 3.79Å; W115-F242 HydrophobicContact CD2-CG 3.79Å; W115-F242 HydrophobicContact CD2-CZ 4.2Å; W115-F242 AromaticContact CE2-CD1 3.9Å; W115-F242 AromaticContact CE2-CG 3.8Å; W115-F242 AromaticContact CE3-CD1 3.71Å; W115-F242 HydrophobicContact CE3-CD1 3.71Å; W115-F242 AromaticContact CE3-CE1 3.83Å; W115-F242 HydrophobicContact CE3-CE1 3.83Å; W115-F242 HydrophobicContact CE3-CG 4.43Å; W115-F242 AromaticContact CG-CD1 3.76Å; W115-F242 HydrophobicContact CG-CD1 3.76Å; W115-F242 AromaticContact CG-CD2 3.77Å; W115-F242 HydrophobicContact CG-CD2 3.77Å; W115-F242 AromaticContact CG-CE1 3.67Å; W115-F242 HydrophobicContact CG-CE1 3.67Å; W115-F242 AromaticContact CG-CE2 3.67Å; W115-F242 HydrophobicContact CG-CE2 3.67Å; W115-F242 AromaticContact CG-CG 3.81Å; W115-F242 HydrophobicContact CG-CG 3.81Å; W115-F242 AromaticContact CG-CZ 3.62Å; W115-F242 HydrophobicContact CG-CZ 3.62Å; W115-F242 HydrophobicContact CZ2-CB 4.32Å; W115-F242 HydrophobicContact CZ2-CD1 4.5Å; W115-F242 HydrophobicContact CZ3-CD1 4.31Å; W115-F242 AromaticContact NE1-CD2 3.9Å; W115-F242 AromaticContact NE1-CG 3.73Å
116	Q	98.6	Very high	96.6	Very high	24 Å²	24	76.6 Å²	76.6	11%	0.112	38%	0.382	C	S	.	.	H	α-helix	trans	-62.2	-44.3	177	-174	-162.3	47.1	0	0	111.1	N35 C38 N39 V112 N114 D118 S119 Y120	N35-Q116 VanDerWaalsContact ND2-CG 3.31Å; N35-Q116 WeakPolarHBondContact ND2-CG 3.43Å; N35-Q116 PolarHBondContact ND2-NE2 2.89Å; N35-Q116 PolarHBondContact O-NE2 2.99Å; C38-Q116 HydrophobicContact CB-CB 4.08Å; C38-Q116 HydrophobicContact CB-CG 3.85Å; N39-Q116 VanDerWaalsContact CG-NE2 3.3Å; N39-Q116 PolarHBondContact ND2-NE2 2.98Å; N39-Q116 PolarHBondContact OD1-NE2 3.5Å; V112-Q116 VanDerWaalsContact O-CB 3.26Å; V112-Q116 WeakPolarHBondContact O-CB 3.48Å; V112-Q116 PolarHBondContact O-N 2.72Å; N114-Q116 VanDerWaalsContact C-N 3.32Å; N114-Q116 PolarHBondContact O-N 2.95Å; Q116-D118 VanDerWaalsContact C-N 3.32Å; Q116-D118 PolarHBondContact O-N 3.28Å; Q116-S119 PolarHBondContact O-N 3.14Å; Q116-Y120 HydrophobicContact CG-CD2 3.86Å; Q116-Y120 HydrophobicContact CG-CE2 4.42Å; Q116-Y120 WeakPolarHBondContact O-CB 3.15Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.26Å; Q116-Y120 PolarHBondContact O-N 3.01Å
117	K	98.1	Very high	96.4	Very high	150 Å²	150	75.3 Å²	75.3	65%	0.652	38%	0.381	S	S	*	.	H	α-helix	trans	-61.7	-40.2	177.4	-177.7	-173.2	174.3	-168.5	0	112.1	K113 N114	K113-K117 WeakPolarHBondContact O-CB 3.27Å; K113-K117 PolarHBondContact O-N 2.93Å; N114-K117 WeakPolarHBondContact O-CB 3.15Å; N114-K117 PolarHBondContact O-N 2.9Å
118	D	98.3	Very high	96.3	Very high	116 Å²	116	72 Å²	72	62%	0.62	37%	0.365	S	S	*	.	H	α-helix	trans	-79.1	-21.5	-178.5	-66	-15.4	0	0	0	112.6	N114 W115 Q116 H121	N114-D118 VanDerWaalsContact O-CG 3.32Å; N114-D118 PolarHBondContact O-N 3.29Å; W115-D118 PolarHBondContact O-N 3.42Å; Q116-D118 VanDerWaalsContact C-N 3.32Å; Q116-D118 PolarHBondContact O-N 3.28Å; D118-H121 PolarHBondContact O-CE1 2.61Å
119	S	98.1	Very high	96.3	Very high	20 Å²	20	76.7 Å²	76.7	14%	0.14	38%	0.382	C	S	.	.	H	α-helix	trans	-95.5	-26.9	-178.1	-57	0	0	0	0	113.7	W115 Q116	W115-S119 VanDerWaalsContact CE2-OG 3.28Å; W115-S119 WeakPolarHBondContact CZ2-OG 3.49Å; W115-S119 WeakPolarHBondContact O-CB 3.19Å; W115-S119 PolarHBondContact O-N 3.02Å; W115-S119 PolarHBondContact O-OG 3.38Å; Q116-S119 PolarHBondContact O-N 3.14Å
120	Y	98.2	Very high	96.3	Very high	11 Å²	11	76.4 Å²	76.4	4%	0.043	38%	0.382	C	S	.	.			trans	-124	112.6	-173.7	-63	-79.5	0	0	0	112.4	I31 G34 N35 W115 Q116 F128 F235	I31-Y120 HydrophobicContact CG2-CE1 4.1Å; I31-Y120 VanDerWaalsContact O-CE1 3.23Å; I31-Y120 WeakPolarHBondContact O-CE1 3.15Å; G34-Y120 WeakPolarHBondContact CA-OH 3.34Å; N35-Y120 HydrophobicContact CB-CD1 3.81Å; N35-Y120 HydrophobicContact CB-CD2 4.01Å; N35-Y120 HydrophobicContact CB-CE1 3.87Å; N35-Y120 HydrophobicContact CB-CE2 4.06Å; N35-Y120 HydrophobicContact CB-CG 3.88Å; N35-Y120 PolarHBondContact N-OH 3.16Å; N35-Y120 WeakPolarHBondContact ND2-CB 3.42Å; N35-Y120 WeakPolarHBondContact ND2-CD2 3.41Å; W115-Y120 HydrophobicContact CH2-CE2 4.32Å; W115-Y120 AromaticContact CZ3-CE2 3.82Å; W115-Y120 HydrophobicContact CZ3-CE2 3.82Å; Q116-Y120 HydrophobicContact CG-CD2 3.86Å; Q116-Y120 HydrophobicContact CG-CE2 4.42Å; Q116-Y120 WeakPolarHBondContact O-CB 3.15Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.26Å; Q116-Y120 PolarHBondContact O-N 3.01Å; Y120-F128 HydrophobicContact CD1-CG 4.43Å; Y120-F235 HydrophobicContact CD1-CZ 4.26Å; Y120-F235 AromaticContact CE1-CE1 3.74Å; Y120-F235 HydrophobicContact CE1-CE1 3.74Å; Y120-F235 AromaticContact CE1-CZ 3.76Å; Y120-F235 HydrophobicContact CE1-CZ 3.76Å
121	H	98.3	Very high	96.2	Very high	71 Å²	71	74.4 Å²	74.4	33%	0.329	37%	0.373	S	S	.	.			trans	-106.6	105.8	-172.6	-58.6	80.8	0	0	0	111.2	D118 F128 R129 E130	D118-H121 PolarHBondContact O-CE1 2.61Å; H121-F128 WeakPolarHBondContact O-CA 3.11Å; H121-R129 HydrophobicContact CB-CB 4.18Å; H121-R129 PolarHBondContact CE1-NH2 2.96Å; H121-R129 VanDerWaalsContact CG-NH2 3.35Å; H121-R129 PolarHBondContact ND1-NH2 2.86Å; H121-R129 PolarHBondContact O-N 2.92Å; H121-E130 IonicContact CE1-OE1 3.79Å; H121-E130 IonicContact CG-OE1 2.77Å; H121-E130 PolarHBondContact N-OE2 2.81Å; H121-E130 IonicContact ND1-OE1 3.33Å; H121-E130 PolarHBondContact ND1-OE1 3.24Å; H121-E130 IonicContact ND1-OE2 3.79Å
122	K	95.6	Very high	96.2	Very high	177 Å²	177	75.8 Å²	75.8	77%	0.77	38%	0.38	S	S	*	.	B	Isolated β-bridge	trans	-61.5	138	178.4	-72.3	-174.9	177.8	179.4	0	111.9	F128	K122-F128 HydrophobicContact CG-CD1 4.1Å; K122-F128 HydrophobicContact CG-CE1 3.74Å
123	Q	93.7	Very high	96.2	Very high	66 Å²	66	81.1 Å²	81.1	31%	0.308	40%	0.404	S	S	.	.			trans	-99	157.5	174.9	-59.2	-166	-37	0	0	112.2	M125 G126 G127 R129 K132	Q123-M125 PolarHBondContact O-N 3.37Å; Q123-G126 PolarHBondContact O-N 3.41Å; Q123-G127 PolarHBondContact N-O 3.12Å; Q123-R129 HydrophobicContact CG-CB 4.22Å; Q123-K132 VanDerWaalsContact OE1-CD 3.24Å
124	M	87.4	Confident	96.2	Very high	197 Å²	197	77.5 Å²	77.5	97%	0.97	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-30	179.7	-72.7	-148.7	-73.8	0	0	113.9	G126	M124-G126 VanDerWaalsContact C-N 3.33Å
125	M	86.5	Confident	96.1	Very high	192 Å²	192	75.3 Å²	75.3	95%	0.946	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	16	-178.5	-62.5	-68.8	-89.7	0	0	112.8	Q123	Q123-M125 PolarHBondContact O-N 3.37Å
126	G	88.6	Confident	96.1	Very high	49 Å²	49	78.2 Å²	78.2	51%	0.505	39%	0.394	S	S	.	.	S	Bend	trans	84.3	162.7	-173.1	0	0	0	0	0	113.2	Q123 M124	Q123-G126 PolarHBondContact O-N 3.41Å; M124-G126 VanDerWaalsContact C-N 3.33Å
127	G	93.8	Very high	96.1	Very high	48 Å²	48	78 Å²	78	50%	0.495	40%	0.399	S	S	.	.	S	Bend	trans	77.7	179.6	-175.2	0	0	0	0	0	114.3	Q123	Q123-G127 PolarHBondContact N-O 3.12Å
128	F	97.7	Very high	96.2	Very high	26 Å²	26	70.9 Å²	70.9	11%	0.114	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-105.5	147.4	178	-57.6	-72.5	0	0	0	111.4	D32 N35 Y120 H121 K122 E130 T131 K132	D32-F128 WeakPolarHBondContact OD1-CD2 3.3Å; N35-F128 HydrophobicContact CB-CE2 3.76Å; N35-F128 HydrophobicContact CB-CZ 3.82Å; N35-F128 VanDerWaalsContact OD1-CZ 3.27Å; N35-F128 WeakPolarHBondContact OD1-CZ 3.48Å; Y120-F128 HydrophobicContact CD1-CG 4.43Å; H121-F128 WeakPolarHBondContact O-CA 3.11Å; K122-F128 HydrophobicContact CG-CD1 4.1Å; K122-F128 HydrophobicContact CG-CE1 3.74Å; F128-E130 VanDerWaalsContact C-N 3.26Å; F128-E130 PolarHBondContact O-N 2.9Å; F128-T131 PolarHBondContact O-N 3.03Å; F128-K132 PolarHBondContact O-N 3.2Å; F128-K132 VanDerWaalsContact O-N 3.13Å
129	R	98	Very high	96.2	Very high	99 Å²	99	70.4 Å²	70.4	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-58.1	-43.5	176	178.6	-176.2	61.1	-175.3	-1.5	111.1	H121 Q123 T131 K132 E133	H121-R129 HydrophobicContact CB-CB 4.18Å; H121-R129 PolarHBondContact CE1-NH2 2.96Å; H121-R129 VanDerWaalsContact CG-NH2 3.35Å; H121-R129 PolarHBondContact ND1-NH2 2.86Å; H121-R129 PolarHBondContact O-N 2.92Å; Q123-R129 HydrophobicContact CG-CB 4.22Å; R129-T131 VanDerWaalsContact C-N 3.34Å; R129-T131 PolarHBondContact O-N 2.98Å; R129-K132 PolarHBondContact O-N 3.31Å; R129-E133 WeakPolarHBondContact CD-OE1 3.3Å; R129-E133 HydrophobicContact CG-CG 4.25Å; R129-E133 WeakPolarHBondContact CG-OE1 3.32Å; R129-E133 IonicContact NE-OE1 2.66Å; R129-E133 WeakPolarHBondContact O-CG 3.4Å; R129-E133 PolarHBondContact O-N 2.93Å
130	E	98.3	Very high	96.2	Very high	24 Å²	24	77.6 Å²	77.6	11%	0.112	39%	0.389	C	S	.	.	H	α-helix	trans	-61.8	-42.5	-177.9	-65.4	67	-143.8	0	0	111.2	I31 H121 F128 E133 A134 F235	I31-E130 HydrophobicContact CG2-CB 4.06Å; H121-E130 IonicContact CE1-OE1 3.79Å; H121-E130 IonicContact CG-OE1 2.77Å; H121-E130 PolarHBondContact N-OE2 2.81Å; H121-E130 IonicContact ND1-OE1 3.33Å; H121-E130 PolarHBondContact ND1-OE1 3.24Å; H121-E130 IonicContact ND1-OE2 3.79Å; F128-E130 VanDerWaalsContact C-N 3.26Å; F128-E130 PolarHBondContact O-N 2.9Å; E130-E133 PolarHBondContact O-N 3.42Å; E130-A134 PolarHBondContact O-N 3.45Å; E130-A134 VanDerWaalsContact O-N 3.08Å; E130-F235 HydrophobicContact CG-CE2 4.26Å; E130-F235 HydrophobicContact CG-CZ 4.33Å
131	T	98.2	Very high	96.2	Very high	16 Å²	16	77.4 Å²	77.4	10%	0.098	39%	0.39	C	S	.	.	H	α-helix	trans	-62.5	-44.5	175	-51.8	0	0	0	0	111.6	V28 I31 D32 F128 R129 A134 D135	V28-T131 HydrophobicContact CG1-CG2 3.54Å; I31-T131 WeakPolarHBondContact CG2-OG1 3.48Å; D32-T131 WeakPolarHBondContact OD1-CB 3.47Å; D32-T131 WeakPolarHBondContact OD1-CG2 3.48Å; D32-T131 PolarHBondContact OD1-OG1 3.23Å; D32-T131 WeakPolarHBondContact OD2-CG2 3.41Å; F128-T131 PolarHBondContact O-N 3.03Å; R129-T131 VanDerWaalsContact C-N 3.34Å; R129-T131 PolarHBondContact O-N 2.98Å; T131-A134 PolarHBondContact O-N 3.29Å; T131-D135 WeakPolarHBondContact O-CB 3.5Å; T131-D135 PolarHBondContact O-N 2.89Å
132	K	97.8	Very high	96.2	Very high	94 Å²	94	74.4 Å²	74.4	41%	0.409	38%	0.375	S	S	.	.	H	α-helix	trans	-65.2	-43.8	178.6	-178.3	178.6	173.3	-178.2	0	111.9	Q123 F128 R129 A134 D135 E136	Q123-K132 VanDerWaalsContact OE1-CD 3.24Å; F128-K132 PolarHBondContact O-N 3.2Å; F128-K132 VanDerWaalsContact O-N 3.13Å; R129-K132 PolarHBondContact O-N 3.31Å; K132-A134 VanDerWaalsContact C-N 3.34Å; K132-A134 PolarHBondContact O-N 2.99Å; K132-D135 PolarHBondContact O-N 2.94Å; K132-E136 WeakPolarHBondContact CE-OE1 3.36Å; K132-E136 HydrophobicContact CG-CG 4.32Å; K132-E136 IonicContact NZ-OE1 3.95Å; K132-E136 WeakPolarHBondContact O-CB 3.18Å; K132-E136 WeakPolarHBondContact O-CG 3.38Å; K132-E136 PolarHBondContact O-N 3.01Å
133	E	98.1	Very high	96.3	Very high	112 Å²	112	73.7 Å²	73.7	52%	0.523	37%	0.373	S	S	.	.	H	α-helix	trans	-60.8	-43.1	178.2	-75.4	174.5	-176.5	0	0	111.3	R129 E130 G137	R129-E133 WeakPolarHBondContact CD-OE1 3.3Å; R129-E133 HydrophobicContact CG-CG 4.25Å; R129-E133 WeakPolarHBondContact CG-OE1 3.32Å; R129-E133 IonicContact NE-OE1 2.66Å; R129-E133 WeakPolarHBondContact O-CG 3.4Å; R129-E133 PolarHBondContact O-N 2.93Å; E130-E133 PolarHBondContact O-N 3.42Å; E133-G137 PolarHBondContact O-N 3.43Å
134	A	98.5	Very high	96.5	Very high	9 Å²	9	73 Å²	73	7%	0.074	37%	0.374	C	S	.	.	H	α-helix	trans	-63.7	-46.8	175.1	0	0	0	0	0	112.6	V28 I31 E130 T131 K132 G137 F138	V28-A134 HydrophobicContact CG2-CB 4.28Å; I31-A134 HydrophobicContact CD1-CB 3.52Å; E130-A134 PolarHBondContact O-N 3.45Å; E130-A134 VanDerWaalsContact O-N 3.08Å; T131-A134 PolarHBondContact O-N 3.29Å; K132-A134 VanDerWaalsContact C-N 3.34Å; K132-A134 PolarHBondContact O-N 2.99Å; A134-G137 PolarHBondContact O-N 3.36Å; A134-F138 VanDerWaalsContact O-CD2 3.22Å; A134-F138 WeakPolarHBondContact O-CD2 3.45Å; A134-F138 PolarHBondContact O-N 3.37Å
135	D	98.5	Very high	97	Very high	33 Å²	33	65.1 Å²	65.1	18%	0.176	33%	0.333	C	S	.	.	H	α-helix	trans	-62.2	-44.4	178.6	-178.4	62.5	0	0	0	112.1	V28 T131 K132 G137 F138 K139	V28-D135 HydrophobicContact CG1-CB 4.06Å; V28-D135 HydrophobicContact CG2-CB 4.32Å; T131-D135 WeakPolarHBondContact O-CB 3.5Å; T131-D135 PolarHBondContact O-N 2.89Å; K132-D135 PolarHBondContact O-N 2.94Å; D135-G137 VanDerWaalsContact C-N 3.34Å; D135-F138 PolarHBondContact O-N 3.47Å; D135-K139 WeakPolarHBondContact O-CB 3.34Å; D135-K139 VanDerWaalsContact O-CG 3.26Å; D135-K139 WeakPolarHBondContact O-CG 3.3Å; D135-K139 PolarHBondContact O-N 3.35Å; D135-K139 WeakPolarHBondContact OD1-CE 3.33Å; D135-K139 IonicContact OD1-NZ 3.4Å; D135-K139 WeakPolarHBondContact OD2-CE 3.22Å; D135-K139 IonicContact OD2-NZ 3.34Å; D135-K139 PolarHBondContact OD2-NZ 3.48Å
136	E	98.4	Very high	97.5	Very high	108 Å²	108	57.1 Å²	57.1	51%	0.505	30%	0.298	S	S	.	.	H	α-helix	trans	-65.2	-38.2	175.4	-72.9	-176.7	174	0	0	111.9	K132 K139 K140	K132-E136 WeakPolarHBondContact CE-OE1 3.36Å; K132-E136 HydrophobicContact CG-CG 4.32Å; K132-E136 IonicContact NZ-OE1 3.95Å; K132-E136 WeakPolarHBondContact O-CB 3.18Å; K132-E136 WeakPolarHBondContact O-CG 3.38Å; K132-E136 PolarHBondContact O-N 3.01Å; E136-K139 PolarHBondContact O-N 2.92Å; E136-K140 VanDerWaalsContact O-CB 3.29Å; E136-K140 WeakPolarHBondContact O-CB 3.46Å; E136-K140 PolarHBondContact O-N 3.22Å
137	G	98.6	Very high	98	Very high	20 Å²	20	61.4 Å²	61.4	21%	0.206	30%	0.303	C	S	.	.	H	α-helix	trans	-57.4	-53.9	173.5	0	0	0	0	0	112.2	E133 A134 D135 K140 A141	E133-G137 PolarHBondContact O-N 3.43Å; A134-G137 PolarHBondContact O-N 3.36Å; D135-G137 VanDerWaalsContact C-N 3.34Å; G137-K140 PolarHBondContact O-N 3.28Å; G137-A141 WeakPolarHBondContact O-CB 3.49Å; G137-A141 PolarHBondContact O-N 3.12Å
138	F	98.8	Very high	98.2	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.1	-42.3	178.2	-76.7	-59.5	0	0	0	112.6	F18 Y24 T27 V28 A134 D135 K140 A141 Q142 M225 V228 F229	F18-F138 HydrophobicContact CE2-CE1 4.11Å; F18-F138 HydrophobicContact CE2-CZ 4.36Å; F18-F138 AromaticContact CZ-CE1 3.8Å; F18-F138 HydrophobicContact CZ-CE1 3.8Å; F18-F138 HydrophobicContact CZ-CZ 4.41Å; Y24-F138 HydrophobicContact CD1-CB 3.77Å; Y24-F138 HydrophobicContact CD1-CG 4.25Å; Y24-F138 HydrophobicContact CD2-CB 3.37Å; Y24-F138 AromaticContact CD2-CD2 3.61Å; Y24-F138 HydrophobicContact CD2-CD2 3.61Å; Y24-F138 AromaticContact CD2-CG 3.6Å; Y24-F138 HydrophobicContact CD2-CG 3.6Å; Y24-F138 HydrophobicContact CE1-CB 3.91Å; Y24-F138 HydrophobicContact CE2-CB 3.56Å; Y24-F138 HydrophobicContact CE2-CD2 4.4Å; Y24-F138 HydrophobicContact CE2-CG 4.28Å; Y24-F138 HydrophobicContact CG-CB 3.51Å; Y24-F138 HydrophobicContact CG-CD1 4.09Å; Y24-F138 AromaticContact CG-CD2 3.98Å; Y24-F138 HydrophobicContact CG-CD2 3.98Å; Y24-F138 AromaticContact CG-CG 3.61Å; Y24-F138 HydrophobicContact CG-CG 3.61Å; T27-F138 HydrophobicContact CG2-CE2 4.21Å; T27-F138 HydrophobicContact CG2-CZ 4.19Å; V28-F138 HydrophobicContact CG2-CD2 3.71Å; V28-F138 HydrophobicContact CG2-CE2 4.02Å; A134-F138 VanDerWaalsContact O-CD2 3.22Å; A134-F138 WeakPolarHBondContact O-CD2 3.45Å; A134-F138 PolarHBondContact O-N 3.37Å; D135-F138 PolarHBondContact O-N 3.47Å; F138-K140 VanDerWaalsContact C-N 3.28Å; F138-K140 PolarHBondContact O-N 3.25Å; F138-A141 PolarHBondContact O-N 3.05Å; F138-Q142 VanDerWaalsContact O-CB 3.3Å; F138-Q142 WeakPolarHBondContact O-CB 3.31Å; F138-Q142 PolarHBondContact O-N 2.96Å; F138-M225 HydrophobicContact CD1-CE 3.79Å; F138-M225 HydrophobicContact CD1-SD 3.78Å; F138-M225 HydrophobicContact CE1-CE 4.31Å; F138-V228 HydrophobicContact CD1-CB 3.99Å; F138-V228 HydrophobicContact CD1-CG1 3.87Å; F138-V228 HydrophobicContact CD2-CG1 3.82Å; F138-V228 HydrophobicContact CE1-CB 3.83Å; F138-V228 HydrophobicContact CE1-CG1 3.82Å; F138-V228 HydrophobicContact CE2-CG1 3.78Å; F138-V228 HydrophobicContact CG-CB 4.46Å; F138-V228 HydrophobicContact CG-CG1 3.87Å; F138-V228 HydrophobicContact CZ-CB 4.2Å; F138-V228 HydrophobicContact CZ-CG1 3.79Å; F138-F229 HydrophobicContact CE1-CB 4.21Å; F138-F229 HydrophobicContact CZ-CB 4.14Å
139	K	98.5	Very high	98.2	Very high	107 Å²	107	61.4 Å²	61.4	47%	0.465	29%	0.29	S	S	.	.	H	α-helix	trans	-57.2	-43.6	174.6	-77.3	172.9	178.1	166.7	0	111.5	Y24 D135 E136 K143	Y24-K139 WeakPolarHBondContact OH-CG 3.46Å; D135-K139 WeakPolarHBondContact O-CB 3.34Å; D135-K139 VanDerWaalsContact O-CG 3.26Å; D135-K139 WeakPolarHBondContact O-CG 3.3Å; D135-K139 PolarHBondContact O-N 3.35Å; D135-K139 WeakPolarHBondContact OD1-CE 3.33Å; D135-K139 IonicContact OD1-NZ 3.4Å; D135-K139 WeakPolarHBondContact OD2-CE 3.22Å; D135-K139 IonicContact OD2-NZ 3.34Å; D135-K139 PolarHBondContact OD2-NZ 3.48Å; E136-K139 PolarHBondContact O-N 2.92Å; K139-K143 WeakPolarHBondContact O-CB 3.29Å; K139-K143 PolarHBondContact O-N 3.25Å
140	K	98.5	Very high	98.1	Very high	171 Å²	171	63.5 Å²	63.5	74%	0.743	30%	0.302	S	S	*	.	H	α-helix	trans	-65.7	-43.4	178.6	-175.2	-177.9	175.6	-172.3	0	111.6	E136 G137 F138 P144	E136-K140 VanDerWaalsContact O-CB 3.29Å; E136-K140 WeakPolarHBondContact O-CB 3.46Å; E136-K140 PolarHBondContact O-N 3.22Å; G137-K140 PolarHBondContact O-N 3.28Å; F138-K140 VanDerWaalsContact C-N 3.28Å; F138-K140 PolarHBondContact O-N 3.25Å; K140-P144 WeakPolarHBondContact O-CD 3.32Å
141	A	98.4	Very high	98.1	Very high	7 Å²	7	65.6 Å²	65.6	6%	0.058	31%	0.312	C	S	.	.	H	α-helix	trans	-64.8	-42.6	178.1	0	0	0	0	0	112.7	G137 F138 N224 M225	G137-A141 WeakPolarHBondContact O-CB 3.49Å; G137-A141 PolarHBondContact O-N 3.12Å; F138-A141 PolarHBondContact O-N 3.05Å; A141-N224 HydrophobicContact CB-CB 3.68Å; A141-M225 HydrophobicContact CB-CG 4.26Å; A141-M225 HydrophobicContact CB-SD 3.81Å
142	Q	98.4	Very high	98.1	Very high	7 Å²	7	65.2 Å²	65.2	3%	0.033	31%	0.31	C	S	.	.	H	α-helix	trans	-83.9	-27.7	-173.9	-171	170.3	75.8	0	0	114	E20 Y24 F138 W145 A146 Y221 M225	E20-Q142 PolarHBondContact O-NE2 2.87Å; Y24-Q142 VanDerWaalsContact CE1-OE1 3.27Å; F138-Q142 VanDerWaalsContact O-CB 3.3Å; F138-Q142 WeakPolarHBondContact O-CB 3.31Å; F138-Q142 PolarHBondContact O-N 2.96Å; Q142-W145 PolarHBondContact O-N 2.95Å; Q142-A146 HydrophobicContact CG-CB 4.36Å; Q142-A146 WeakPolarHBondContact O-CB 3.36Å; Q142-A146 PolarHBondContact O-N 3.49Å; Q142-Y221 HydrophobicContact CB-CE2 3.94Å; Q142-Y221 HydrophobicContact CG-CE2 3.73Å; Q142-Y221 PolarHBondContact NE2-OH 3.25Å; Q142-M225 HydrophobicContact CB-SD 3.97Å
143	K	97.8	Very high	98.1	Very high	163 Å²	163	65 Å²	65	71%	0.709	31%	0.31	S	S	*	.	H	α-helix	trans	-53.6	-44.6	-172.5	179.3	179.3	-174.8	-179.5	0	115	K139 K147	K139-K143 WeakPolarHBondContact O-CB 3.29Å; K139-K143 PolarHBondContact O-N 3.25Å; K143-K147 WeakPolarHBondContact O-CB 3.44Å; K143-K147 PolarHBondContact O-N 3.49Å; K143-K147 VanDerWaalsContact O-N 3.09Å
144	P	97.6	Very high	98.1	Very high	51 Å²	51	63.4 Å²	63.4	33%	0.331	31%	0.308	S	S	.	.	H	α-helix	trans	-63.3	-44.8	179.7	-21.9	34.3	0	0	0	112.5	K140 K147 K148 W217	K140-P144 WeakPolarHBondContact O-CD 3.32Å; P144-K147 PolarHBondContact O-N 3.2Å; P144-K148 PolarHBondContact O-N 3.1Å; P144-W217 HydrophobicContact CB-CE3 3.99Å; P144-W217 HydrophobicContact CB-CZ3 3.89Å
145	W	98.4	Very high	98.1	Very high	31 Å²	31	63.1 Å²	63.1	12%	0.117	31%	0.305	C	S	.	.	H	α-helix	trans	-68.3	-45.3	179.8	-175	91.5	0	0	0	111.7	V21 Q142 K147 K148 L149 L214 T218 Y221	V21-W145 HydrophobicContact CG2-CE3 4.35Å; V21-W145 HydrophobicContact CG2-CZ3 3.83Å; Q142-W145 PolarHBondContact O-N 2.95Å; W145-K147 VanDerWaalsContact C-N 3.26Å; W145-K147 PolarHBondContact O-N 3.33Å; W145-K148 CarbonylContact O-C 3.6Å; W145-K148 WeakPolarHBondContact O-CA 2.83Å; W145-K148 PolarHBondContact O-N 2.91Å; W145-L149 HydrophobicContact CE3-CB 4.48Å; W145-L149 HydrophobicContact CE3-CD2 4.49Å; W145-L149 HydrophobicContact CH2-CD1 4.39Å; W145-L149 HydrophobicContact CH2-CD2 3.73Å; W145-L149 HydrophobicContact CH2-CG 4.44Å; W145-L149 HydrophobicContact CZ3-CB 4.32Å; W145-L149 HydrophobicContact CZ3-CD2 3.62Å; W145-L149 HydrophobicContact CZ3-CG 4.49Å; W145-L149 PolarHBondContact O-N 3.06Å; W145-L214 HydrophobicContact CD2-CD1 4.19Å; W145-L214 HydrophobicContact CG-CD1 4.1Å; W145-L214 HydrophobicContact CZ2-CD1 4.42Å; W145-L214 HydrophobicContact CZ2-CD2 4.48Å; W145-T218 PolarHBondContact NE1-OG1 3.39Å; W145-T218 VanDerWaalsContact NE1-OG1 3.15Å; W145-Y221 HydrophobicContact CB-CD1 4.36Å; W145-Y221 HydrophobicContact CB-CD2 3.8Å; W145-Y221 HydrophobicContact CB-CE2 4.47Å; W145-Y221 HydrophobicContact CB-CG 3.73Å; W145-Y221 AromaticContact CD1-CD1 3.84Å; W145-Y221 AromaticContact CD1-CG 3.88Å; W145-Y221 AromaticContact CD2-CD1 3.91Å; W145-Y221 HydrophobicContact CD2-CD1 3.91Å; W145-Y221 AromaticContact CD2-CE1 3.99Å; W145-Y221 HydrophobicContact CD2-CE1 3.99Å; W145-Y221 HydrophobicContact CD2-CG 4.18Å; W145-Y221 HydrophobicContact CE3-CE1 4.18Å; W145-Y221 AromaticContact CG-CD1 3.8Å; W145-Y221 HydrophobicContact CG-CD1 3.8Å; W145-Y221 HydrophobicContact CG-CD2 4.11Å; W145-Y221 HydrophobicContact CG-CE1 4.33Å; W145-Y221 AromaticContact CG-CG 3.65Å; W145-Y221 HydrophobicContact CG-CG 3.65Å; W145-Y221 AromaticContact NE1-CD1 3.98Å
146	A	97.5	Very high	98	Very high	25 Å²	25	64.1 Å²	64.1	21%	0.207	31%	0.308	C	S	.	.	H	α-helix	trans	-60.3	-34.7	176.5	0	0	0	0	0	112.7	V21 Q142 K150	V21-A146 HydrophobicContact CG1-CB 4.15Å; V21-A146 HydrophobicContact CG2-CB 3.93Å; Q142-A146 HydrophobicContact CG-CB 4.36Å; Q142-A146 WeakPolarHBondContact O-CB 3.36Å; Q142-A146 PolarHBondContact O-N 3.49Å; A146-K150 PolarHBondContact O-N 2.9Å; A146-K150 VanDerWaalsContact O-N 3.08Å
147	K	97.7	Very high	98	Very high	139 Å²	139	65.4 Å²	65.4	60%	0.604	31%	0.312	S	S	*	.	H	α-helix	trans	-63.5	-42.9	173.1	-176.2	-177.6	174.1	-174.2	0	111.3	K143 P144 W145 K150 E151	K143-K147 WeakPolarHBondContact O-CB 3.44Å; K143-K147 PolarHBondContact O-N 3.49Å; K143-K147 VanDerWaalsContact O-N 3.09Å; P144-K147 PolarHBondContact O-N 3.2Å; W145-K147 VanDerWaalsContact C-N 3.26Å; W145-K147 PolarHBondContact O-N 3.33Å; K147-K150 PolarHBondContact O-N 3.44Å; K147-E151 PolarHBondContact O-N 2.94Å
148	K	97.8	Very high	98	Very high	39 Å²	39	66.3 Å²	66.3	17%	0.17	32%	0.315	C	S	.	.	H	α-helix	trans	-69.4	-39.6	177.8	-73.8	-72.8	169.9	-168.3	0	112.4	P144 W145 K150 E151 V152 E213 L214 W217	P144-K148 PolarHBondContact O-N 3.1Å; W145-K148 CarbonylContact O-C 3.6Å; W145-K148 WeakPolarHBondContact O-CA 2.83Å; W145-K148 PolarHBondContact O-N 2.91Å; K148-K150 VanDerWaalsContact C-N 3.28Å; K148-K150 PolarHBondContact O-N 2.87Å; K148-E151 WeakPolarHBondContact CD-OE2 3.45Å; K148-E151 IonicContact NZ-OE1 2.75Å; K148-E151 IonicContact NZ-OE2 2.95Å; K148-E151 PolarHBondContact NZ-OE2 3.26Å; K148-E151 WeakPolarHBondContact O-CB 3.47Å; K148-E151 PolarHBondContact O-N 3.19Å; K148-V152 WeakPolarHBondContact O-CG2 3.39Å; K148-V152 PolarHBondContact O-N 3.41Å; K148-E213 IonicContact NZ-OE2 3.53Å; K148-E213 PolarHBondContact NZ-OE2 3.12Å; K148-L214 HydrophobicContact CB-CD1 3.64Å; K148-W217 HydrophobicContact CG-CG 4.43Å
149	L	97.6	Very high	97.9	Very high	35 Å²	35	69 Å²	69	18%	0.183	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-42.6	173	-178.4	65.6	0	0	0	111.3	V21 W145 E151 V152 E153 L214	V21-L149 HydrophobicContact CG2-CD2 4Å; W145-L149 HydrophobicContact CE3-CB 4.48Å; W145-L149 HydrophobicContact CE3-CD2 4.49Å; W145-L149 HydrophobicContact CH2-CD1 4.39Å; W145-L149 HydrophobicContact CH2-CD2 3.73Å; W145-L149 HydrophobicContact CH2-CG 4.44Å; W145-L149 HydrophobicContact CZ3-CB 4.32Å; W145-L149 HydrophobicContact CZ3-CD2 3.62Å; W145-L149 HydrophobicContact CZ3-CG 4.49Å; W145-L149 PolarHBondContact O-N 3.06Å; L149-E151 VanDerWaalsContact C-N 3.3Å; L149-E151 PolarHBondContact O-N 3.35Å; L149-V152 WeakPolarHBondContact O-CA 3.31Å; L149-V152 WeakPolarHBondContact O-CB 3.41Å; L149-V152 PolarHBondContact O-N 3.13Å; L149-V152 VanDerWaalsContact O-N 3.12Å; L149-E153 WeakPolarHBondContact O-CG 3.39Å; L149-E153 PolarHBondContact O-N 3.35Å; L149-L214 HydrophobicContact CB-CD1 4.34Å; L149-L214 HydrophobicContact CD1-CD2 4.01Å
150	K	97.6	Very high	97.9	Very high	143 Å²	143	68.8 Å²	68.8	62%	0.622	33%	0.326	S	S	*	.	H	α-helix	trans	-61.9	-36.1	175.3	-171.4	173.9	-176.5	172.5	0	113	A146 K147 K148 V154	A146-K150 PolarHBondContact O-N 2.9Å; A146-K150 VanDerWaalsContact O-N 3.08Å; K147-K150 PolarHBondContact O-N 3.44Å; K148-K150 VanDerWaalsContact C-N 3.28Å; K148-K150 PolarHBondContact O-N 2.87Å; K150-V154 WeakPolarHBondContact O-CG2 3.43Å; K150-V154 PolarHBondContact O-N 2.91Å
151	E	97.8	Very high	97.9	Very high	68 Å²	68	66.3 Å²	66.3	32%	0.318	32%	0.319	S	S	.	.	H	α-helix	trans	-65.1	-41.8	173.9	-68.3	171	-165	0	0	111	K147 K148 L149 V154 A155	K147-E151 PolarHBondContact O-N 2.94Å; K148-E151 WeakPolarHBondContact CD-OE2 3.45Å; K148-E151 IonicContact NZ-OE1 2.75Å; K148-E151 IonicContact NZ-OE2 2.95Å; K148-E151 PolarHBondContact NZ-OE2 3.26Å; K148-E151 WeakPolarHBondContact O-CB 3.47Å; K148-E151 PolarHBondContact O-N 3.19Å; L149-E151 VanDerWaalsContact C-N 3.3Å; L149-E151 PolarHBondContact O-N 3.35Å; E151-V154 PolarHBondContact O-N 3.26Å; E151-A155 PolarHBondContact O-N 3.1Å
152	V	98.1	Very high	97.8	Very high	8 Å²	8	66.7 Å²	66.7	5%	0.048	32%	0.322	C	S	.	.	H	α-helix	trans	-60.7	-46.7	174.4	172.4	0	0	0	0	111.4	K148 L149 V154 A155 K156 Y207 T210 L211 L214	K148-V152 WeakPolarHBondContact O-CG2 3.39Å; K148-V152 PolarHBondContact O-N 3.41Å; L149-V152 WeakPolarHBondContact O-CA 3.31Å; L149-V152 WeakPolarHBondContact O-CB 3.41Å; L149-V152 PolarHBondContact O-N 3.13Å; L149-V152 VanDerWaalsContact O-N 3.12Å; V152-V154 VanDerWaalsContact C-N 3.32Å; V152-V154 PolarHBondContact O-N 2.97Å; V152-A155 PolarHBondContact O-N 3.25Å; V152-K156 WeakPolarHBondContact O-CB 3.35Å; V152-K156 PolarHBondContact O-N 3.13Å; V152-Y207 HydrophobicContact CG1-CD2 4.36Å; V152-Y207 HydrophobicContact CG1-CE2 3.69Å; V152-T210 VanDerWaalsContact CG2-O 3.27Å; V152-T210 WeakPolarHBondContact CG2-O 3.34Å; V152-L211 HydrophobicContact CG1-CD2 3.57Å; V152-L211 HydrophobicContact CG1-CG 4.19Å; V152-L211 HydrophobicContact CG2-CD2 4.4Å; V152-L214 HydrophobicContact CG2-CB 4.03Å; V152-L214 HydrophobicContact CG2-CD2 4.06Å
153	E	97.2	Very high	97.7	Very high	88 Å²	88	67.7 Å²	67.7	41%	0.411	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-40.6	177.7	-72.6	174.8	-179.4	0	0	112.6	L149 K157	L149-E153 WeakPolarHBondContact O-CG 3.39Å; L149-E153 PolarHBondContact O-N 3.35Å; E153-K157 WeakPolarHBondContact O-CB 3.41Å; E153-K157 WeakPolarHBondContact O-CG 3.26Å; E153-K157 PolarHBondContact O-N 3.31Å
154	V	98.1	Very high	97.7	Very high	80 Å²	80	66.8 Å²	66.8	49%	0.485	33%	0.325	S	S	.	.	H	α-helix	trans	-67.2	-41.1	176.8	171.3	0	0	0	0	111	K150 E151 V152 S158	K150-V154 WeakPolarHBondContact O-CG2 3.43Å; K150-V154 PolarHBondContact O-N 2.91Å; E151-V154 PolarHBondContact O-N 3.26Å; V152-V154 VanDerWaalsContact C-N 3.32Å; V152-V154 PolarHBondContact O-N 2.97Å; V154-S158 WeakPolarHBondContact O-CB 3.47Å; V154-S158 PolarHBondContact O-N 2.61Å; V154-S158 PolarHBondContact O-OG 3.48Å
155	A	97.9	Very high	97.6	Very high	2 Å²	2	68.9 Å²	68.9	2%	0.017	33%	0.331	C	S	.	.	H	α-helix	trans	-67.3	-43.3	177.3	0	0	0	0	0	111.7	E151 V152 K157 S158 Y159 Y207 T210	E151-A155 PolarHBondContact O-N 3.1Å; V152-A155 PolarHBondContact O-N 3.25Å; A155-K157 PolarHBondContact O-N 3.29Å; A155-S158 WeakPolarHBondContact O-CB 3.4Å; A155-S158 PolarHBondContact O-N 3.06Å; A155-Y159 PolarHBondContact O-N 3.44Å; A155-Y207 HydrophobicContact CB-CD2 4.09Å; A155-T210 HydrophobicContact CB-CG2 4.22Å; A155-T210 WeakPolarHBondContact CB-OG1 3.37Å
156	K	98.1	Very high	97.4	Very high	54 Å²	54	69.8 Å²	69.8	24%	0.235	34%	0.336	C	S	.	.	H	α-helix	trans	-54.9	-51	173.1	-178.4	179.8	174.5	-179.3	0	111.6	E12 V152 S158 Y159 H160 Y207	E12-K156 IonicContact OE1-NZ 2.79Å; E12-K156 PolarHBondContact OE1-NZ 3.47Å; V152-K156 WeakPolarHBondContact O-CB 3.35Å; V152-K156 PolarHBondContact O-N 3.13Å; K156-S158 VanDerWaalsContact C-N 3.32Å; K156-S158 PolarHBondContact O-N 3.19Å; K156-Y159 PolarHBondContact O-N 3.08Å; K156-H160 PolarHBondContact O-CD2 2.91Å; K156-H160 PolarHBondContact O-N 3.45Å; K156-Y207 HydrophobicContact CB-CD2 4.06Å; K156-Y207 HydrophobicContact CB-CE2 3.63Å; K156-Y207 HydrophobicContact CG-CE2 4.29Å
157	K	97.9	Very high	97.3	Very high	136 Å²	136	75.9 Å²	75.9	59%	0.591	36%	0.358	S	S	*	.	H	α-helix	trans	-58.7	-43.4	176.8	-75.3	173.6	-178.5	172.9	0	111.8	E153 A155 H160 M161	E153-K157 WeakPolarHBondContact O-CB 3.41Å; E153-K157 WeakPolarHBondContact O-CG 3.26Å; E153-K157 PolarHBondContact O-N 3.31Å; A155-K157 PolarHBondContact O-N 3.29Å; K157-H160 PolarHBondContact O-N 2.95Å; K157-M161 WeakPolarHBondContact O-CG 3.47Å; K157-M161 PolarHBondContact O-N 3.35Å
158	S	97.8	Very high	97.1	Very high	38 Å²	38	72.2 Å²	72.2	27%	0.266	35%	0.345	S	S	.	.	H	α-helix	trans	-62.7	-44.8	178.6	-56.9	0	0	0	0	112.1	V154 A155 K156 M161 A162	V154-S158 WeakPolarHBondContact O-CB 3.47Å; V154-S158 PolarHBondContact O-N 2.61Å; V154-S158 PolarHBondContact O-OG 3.48Å; A155-S158 WeakPolarHBondContact O-CB 3.4Å; A155-S158 PolarHBondContact O-N 3.06Å; K156-S158 VanDerWaalsContact C-N 3.32Å; K156-S158 PolarHBondContact O-N 3.19Å; S158-M161 PolarHBondContact O-N 2.88Å; S158-A162 PolarHBondContact O-N 2.86Å
159	Y	98.3	Very high	96.9	Very high	56 Å²	56	70.8 Å²	70.8	22%	0.22	34%	0.34	C	S	.	.	H	α-helix	trans	-63	-48.3	176.2	171.2	-118.2	0	0	0	111.8	A155 K156 M161 A162 C163 R204 Y207	A155-Y159 PolarHBondContact O-N 3.44Å; K156-Y159 PolarHBondContact O-N 3.08Å; Y159-M161 VanDerWaalsContact C-N 3.29Å; Y159-M161 PolarHBondContact O-N 3.27Å; Y159-A162 PolarHBondContact O-N 3.19Å; Y159-A162 VanDerWaalsContact O-N 3.08Å; Y159-C163 WeakPolarHBondContact CE2-SG 3.33Å; Y159-C163 PolarHBondContact O-N 2.9Å; Y159-C163 PolarHBondContact O-SG 3.24Å; Y159-C163 VanDerWaalsContact O-SG 3.36Å; Y159-R204 HydrophobicContact CD2-CB 3.75Å; Y159-R204 HydrophobicContact CD2-CG 4.47Å; Y159-R204 HydrophobicContact CE2-CB 3.55Å; Y159-R204 HydrophobicContact CE2-CG 3.98Å; Y159-Y207 HydrophobicContact CD1-CD1 4.11Å
160	H	97.8	Very high	96.6	Very high	103 Å²	103	71.9 Å²	71.9	48%	0.477	35%	0.348	S	S	.	.	H	α-helix	trans	-59.2	-39.4	178.1	-71.3	-170.5	0	0	0	112.5	K156 K157 K164	K156-H160 PolarHBondContact O-CD2 2.91Å; K156-H160 PolarHBondContact O-N 3.45Å; K157-H160 PolarHBondContact O-N 2.95Å; H160-K164 WeakPolarHBondContact O-CB 3.45Å; H160-K164 PolarHBondContact O-N 3.48Å
161	M	97.5	Very high	96.3	Very high	120 Å²	120	67.8 Å²	67.8	59%	0.591	34%	0.337	S	S	*	.	H	α-helix	trans	-65.1	-43.4	174.2	-72.3	-173.5	-60.3	0	0	112.1	K157 S158 Y159 K164 E165	K157-M161 WeakPolarHBondContact O-CG 3.47Å; K157-M161 PolarHBondContact O-N 3.35Å; S158-M161 PolarHBondContact O-N 2.88Å; Y159-M161 VanDerWaalsContact C-N 3.29Å; Y159-M161 PolarHBondContact O-N 3.27Å; M161-K164 WeakPolarHBondContact O-CB 3.4Å; M161-K164 PolarHBondContact O-N 3.4Å; M161-E165 PolarHBondContact O-N 3.4Å
162	A	97.1	Very high	95.8	Very high	15 Å²	15	70.8 Å²	70.8	12%	0.124	35%	0.346	C	S	.	.	H	α-helix	trans	-62.5	-42.9	177.6	0	0	0	0	0	111.9	S158 Y159 K164 E165 E166 T203	S158-A162 PolarHBondContact O-N 2.86Å; Y159-A162 PolarHBondContact O-N 3.19Å; Y159-A162 VanDerWaalsContact O-N 3.08Å; A162-K164 VanDerWaalsContact C-N 3.31Å; A162-K164 PolarHBondContact O-N 2.69Å; A162-E165 PolarHBondContact O-N 3.5Å; A162-E166 WeakPolarHBondContact O-CB 3.43Å; A162-E166 PolarHBondContact O-N 2.88Å; A162-T203 HydrophobicContact CB-CG2 4.28Å; A162-T203 WeakPolarHBondContact CB-OG1 3.45Å
163	C	97	Very high	95.2	Very high	28 Å²	28	71.5 Å²	71.5	19%	0.189	35%	0.349	C	S	.	.	H	α-helix	trans	-62.7	-36.9	174.2	-64.2	0	0	0	0	112.7	Y159 E166 K167	Y159-C163 WeakPolarHBondContact CE2-SG 3.33Å; Y159-C163 PolarHBondContact O-N 2.9Å; Y159-C163 PolarHBondContact O-SG 3.24Å; Y159-C163 VanDerWaalsContact O-SG 3.36Å; C163-E166 PolarHBondContact O-N 3.15Å; C163-K167 WeakPolarHBondContact O-CG 3.45Å; C163-K167 PolarHBondContact O-N 3.4Å
164	K	97.1	Very high	94.6	Very high	144 Å²	144	69.9 Å²	69.9	63%	0.626	35%	0.351	S	S	*	.	H	α-helix	trans	-64.7	-46.1	176.2	-173.8	178.8	179.4	177.5	0	111	H160 M161 A162 K167 L168	H160-K164 WeakPolarHBondContact O-CB 3.45Å; H160-K164 PolarHBondContact O-N 3.48Å; M161-K164 WeakPolarHBondContact O-CB 3.4Å; M161-K164 PolarHBondContact O-N 3.4Å; A162-K164 VanDerWaalsContact C-N 3.31Å; A162-K164 PolarHBondContact O-N 2.69Å; K164-K167 PolarHBondContact O-N 3.24Å; K164-L168 HydrophobicContact CG-CD1 4.42Å; K164-L168 WeakPolarHBondContact O-CG 3.41Å; K164-L168 PolarHBondContact O-N 2.91Å
165	E	95.6	Very high	93.9	Very high	95 Å²	95	72.2 Å²	72.2	44%	0.444	36%	0.36	S	S	.	.	H	α-helix	trans	-64.4	-39.6	176.2	-72.3	-60.1	139.3	0	0	112.3	M161 A162 L168 A169	M161-E165 PolarHBondContact O-N 3.4Å; A162-E165 PolarHBondContact O-N 3.5Å; E165-L168 PolarHBondContact O-N 3.09Å; E165-A169 WeakPolarHBondContact O-CB 3.42Å; E165-A169 PolarHBondContact O-N 3.44Å
166	E	94.3	Very high	92.8	Very high	49 Å²	49	74.4 Å²	74.4	23%	0.229	37%	0.374	C	S	.	.	H	α-helix	trans	-60.4	-46.1	174.1	-172.5	-166.6	157	0	0	111.8	A162 C163 L168 A169 T170 C196 K197 S200	A162-E166 WeakPolarHBondContact O-CB 3.43Å; A162-E166 PolarHBondContact O-N 2.88Å; C163-E166 PolarHBondContact O-N 3.15Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 3.06Å; E166-A169 PolarHBondContact O-N 3.35Å; E166-T170 WeakPolarHBondContact O-CB 3.35Å; E166-T170 PolarHBondContact O-N 3.25Å; E166-T170 PolarHBondContact O-OG1 3.5Å; E166-C196 HydrophobicContact CB-CB 4.2Å; E166-C196 HydrophobicContact CG-CB 4.46Å; E166-K197 HydrophobicContact CG-CG 4Å; E166-S200 WeakPolarHBondContact OE2-CB 3.36Å; E166-S200 PolarHBondContact OE2-OG 3.41Å
167	K	95.5	Very high	91.2	Very high	154 Å²	154	77.7 Å²	77.7	67%	0.67	39%	0.388	S	S	*	.	H	α-helix	trans	-59.7	-44.6	174.4	-77.7	-178	179.1	-178.2	0	111.4	C163 K164 T170 S171	C163-K167 WeakPolarHBondContact O-CG 3.45Å; C163-K167 PolarHBondContact O-N 3.4Å; K164-K167 PolarHBondContact O-N 3.24Å; K167-T170 WeakPolarHBondContact O-CB 3.27Å; K167-T170 PolarHBondContact O-N 3.26Å; K167-S171 PolarHBondContact O-N 3.44Å; K167-S171 PolarHBondContact O-OG 3.5Å
168	L	93.9	Very high	89.3	Confident	62 Å²	62	74.6 Å²	74.6	33%	0.325	39%	0.394	S	S	.	.	H	α-helix	trans	-63.8	-41	177.7	-70.8	169	0	0	0	112.4	K164 E165 E166 R172	K164-L168 HydrophobicContact CG-CD1 4.42Å; K164-L168 WeakPolarHBondContact O-CG 3.41Å; K164-L168 PolarHBondContact O-N 2.91Å; E165-L168 PolarHBondContact O-N 3.09Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 3.06Å; L168-R172 WeakPolarHBondContact O-CB 3.21Å; L168-R172 VanDerWaalsContact O-CG 3.3Å; L168-R172 WeakPolarHBondContact O-CG 3.38Å; L168-R172 PolarHBondContact O-N 3.12Å
169	A	91.9	Very high	87.2	Confident	8 Å²	8	79.1 Å²	79.1	7%	0.066	42%	0.415	C	S	.	.	H	α-helix	trans	-65	-40	175.4	0	0	0	0	0	111.6	E165 E166 R172 E173 L193 C196	E165-A169 WeakPolarHBondContact O-CB 3.42Å; E165-A169 PolarHBondContact O-N 3.44Å; E166-A169 PolarHBondContact O-N 3.35Å; A169-R172 PolarHBondContact O-N 3.24Å; A169-E173 PolarHBondContact O-N 2.8Å; A169-L193 HydrophobicContact CB-CD1 4.13Å; A169-C196 HydrophobicContact CB-CB 4.3Å
170	T	92.2	Very high	85.5	Confident	59 Å²	59	80.9 Å²	80.9	36%	0.362	45%	0.45	S	S	.	.	H	α-helix	trans	-62.5	-49	176.3	-57.2	0	0	0	0	111.2	E166 K167 R172 E173 A174 L193	E166-T170 WeakPolarHBondContact O-CB 3.35Å; E166-T170 PolarHBondContact O-N 3.25Å; E166-T170 PolarHBondContact O-OG1 3.5Å; K167-T170 WeakPolarHBondContact O-CB 3.27Å; K167-T170 PolarHBondContact O-N 3.26Å; T170-R172 VanDerWaalsContact C-N 3.34Å; T170-R172 PolarHBondContact O-N 2.87Å; T170-E173 PolarHBondContact O-N 3Å; T170-A174 WeakPolarHBondContact O-CB 3.43Å; T170-A174 PolarHBondContact O-N 2.91Å; T170-L193 VanDerWaalsContact OG1-CD1 3.26Å; T170-L193 WeakPolarHBondContact OG1-CD1 3.34Å
171	S	91.3	Very high	84	Confident	56 Å²	56	78 Å²	78	39%	0.392	44%	0.44	S	S	.	.	H	α-helix	trans	-62.9	-38.8	177.3	-60.5	0	0	0	0	112.4	K167 A174 N175	K167-S171 PolarHBondContact O-N 3.44Å; K167-S171 PolarHBondContact O-OG 3.5Å; S171-A174 PolarHBondContact O-N 2.86Å; S171-N175 WeakPolarHBondContact O-CB 3.42Å; S171-N175 PolarHBondContact O-N 3.41Å; S171-N175 PolarHBondContact O-ND2 2.84Å
172	R	87.6	Confident	82.9	Confident	132 Å²	132	75.9 Å²	75.9	50%	0.498	43%	0.434	S	S	.	.	H	α-helix	trans	-64.2	-45.4	175.1	-75.8	173.7	178.1	161.3	-1.9	111.7	L168 A169 T170 A174 N175 T176	L168-R172 WeakPolarHBondContact O-CB 3.21Å; L168-R172 VanDerWaalsContact O-CG 3.3Å; L168-R172 WeakPolarHBondContact O-CG 3.38Å; L168-R172 PolarHBondContact O-N 3.12Å; A169-R172 PolarHBondContact O-N 3.24Å; T170-R172 VanDerWaalsContact C-N 3.34Å; T170-R172 PolarHBondContact O-N 2.87Å; R172-A174 VanDerWaalsContact C-N 3.34Å; R172-A174 PolarHBondContact O-N 3.14Å; R172-N175 PolarHBondContact O-N 3.22Å; R172-T176 PolarHBondContact O-N 3.42Å; R172-T176 PolarHBondContact O-OG1 3.31Å
173	E	85.6	Confident	82	Confident	22 Å²	22	83.4 Å²	83.4	10%	0.103	47%	0.467	C	S	.	.	H	α-helix	trans	-60.9	-43.5	177.1	-164.7	-85.3	171.9	0	0	111.7	A169 T170 T176 K177 L189 Q190 L193	A169-E173 PolarHBondContact O-N 2.8Å; T170-E173 PolarHBondContact O-N 3Å; E173-T176 PolarHBondContact O-N 3.18Å; E173-K177 WeakPolarHBondContact OE1-CE 3.48Å; E173-K177 IonicContact OE1-NZ 2.74Å; E173-K177 PolarHBondContact OE1-NZ 2.89Å; E173-K177 WeakPolarHBondContact OE2-CE 3.48Å; E173-K177 IonicContact OE2-NZ 2.75Å; E173-K177 PolarHBondContact OE2-NZ 3.42Å; E173-L189 HydrophobicContact CG-CB 4.45Å; E173-Q190 HydrophobicContact CG-CG 4.37Å; E173-L193 HydrophobicContact CB-CD2 4.37Å; E173-L193 HydrophobicContact CG-CD2 4.36Å
174	A	84.9	Confident	81.2	Confident	55 Å²	55	85.7 Å²	85.7	46%	0.455	49%	0.488	S	S	.	.	H	α-helix	trans	-64.5	-43.6	178.6	0	0	0	0	0	112.9	T170 S171 R172 T176	T170-A174 WeakPolarHBondContact O-CB 3.43Å; T170-A174 PolarHBondContact O-N 2.91Å; S171-A174 PolarHBondContact O-N 2.86Å; R172-A174 VanDerWaalsContact C-N 3.34Å; R172-A174 PolarHBondContact O-N 3.14Å; A174-T176 VanDerWaalsContact C-N 3.3Å; A174-T176 PolarHBondContact O-N 3.46Å
175	N	83.4	Confident	80.4	Confident	129 Å²	129	83.6 Å²	83.6	69%	0.69	48%	0.48	S	S	*	.	H	α-helix	trans	-71.7	-22.5	-177.7	-69.1	-14.1	0	0	0	113.3	S171 R172	S171-N175 WeakPolarHBondContact O-CB 3.42Å; S171-N175 PolarHBondContact O-N 3.41Å; S171-N175 PolarHBondContact O-ND2 2.84Å; R172-N175 PolarHBondContact O-N 3.22Å
176	T	73.8	Confident	79.7	Confident	48 Å²	48	82.6 Å²	82.6	29%	0.294	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-4.3	-176.4	-35.3	0	0	0	0	112.7	R172 E173 A174 G178 T181 L189	R172-T176 PolarHBondContact O-N 3.42Å; R172-T176 PolarHBondContact O-OG1 3.31Å; E173-T176 PolarHBondContact O-N 3.18Å; A174-T176 VanDerWaalsContact C-N 3.3Å; A174-T176 PolarHBondContact O-N 3.46Å; T176-G178 PolarHBondContact O-N 3.45Å; T176-T181 HydrophobicContact CG2-CG2 3.86Å; T176-T181 WeakPolarHBondContact CG2-OG1 3.35Å; T176-T181 PolarHBondContact O-OG1 3.23Å; T176-L189 HydrophobicContact CG2-CD1 3.82Å
177	K	64.3	Low	79.4	Confident	123 Å²	123	86.6 Å²	86.6	54%	0.535	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-8.9	176.2	-77.6	176.2	173.5	149.2	0	114.3	E173	E173-K177 WeakPolarHBondContact OE1-CE 3.48Å; E173-K177 IonicContact OE1-NZ 2.74Å; E173-K177 PolarHBondContact OE1-NZ 2.89Å; E173-K177 WeakPolarHBondContact OE2-CE 3.48Å; E173-K177 IonicContact OE2-NZ 2.75Å; E173-K177 PolarHBondContact OE2-NZ 3.42Å
178	G	58.2	Low	79	Confident	70 Å²	70	86.8 Å²	86.8	72%	0.722	49%	0.493	S	S	*	.	S	Bend	trans	-99.6	-21.6	-174.7	0	0	0	0	0	116.6	T176	T176-G178 PolarHBondContact O-N 3.45Å
179	D	54.6	Low	78.7	Confident	133 Å²	133	86.1 Å²	86.1	71%	0.711	49%	0.489	S	S	*	.	S	Bend	trans	-111.1	157.5	-176.3	-73.6	-34.2	0	0	0	111.1	T181	D179-T181 WeakPolarHBondContact O-CB 3.27Å; D179-T181 PolarHBondContact O-N 3.41Å; D179-T181 PolarHBondContact O-OG1 3.43Å
180	G	62.3	Low	78.5	Confident	93 Å²	93	90 Å²	90	96%	0.959	51%	0.506	S	S	*	.			trans	-57.8	56.1	-172.5	0	0	0	0	0	117.1
181	T	65.1	Low	78.5	Confident	42 Å²	42	91.9 Å²	91.9	26%	0.258	51%	0.514	S	S	.	.			trans	-83.5	136.9	-171.2	-50.4	0	0	0	0	109.6	T176 D179 E185	T176-T181 HydrophobicContact CG2-CG2 3.86Å; T176-T181 WeakPolarHBondContact CG2-OG1 3.35Å; T176-T181 PolarHBondContact O-OG1 3.23Å; D179-T181 WeakPolarHBondContact O-CB 3.27Å; D179-T181 PolarHBondContact O-N 3.41Å; D179-T181 PolarHBondContact O-OG1 3.43Å; T181-E185 HydrophobicContact CG2-CB 3.62Å
182	T	76.2	Confident	78.6	Confident	76 Å²	76	94.2 Å²	94.2	47%	0.466	52%	0.517	S	S	.	.			trans	-72.4	150.7	-179.5	61.9	0	0	0	0	111.4	A184 E185 Q186	T182-A184 PolarHBondContact O-N 2.86Å; T182-A184 VanDerWaalsContact O-N 3.1Å; T182-E185 PolarHBondContact N-OE2 3.34Å; T182-E185 PolarHBondContact O-N 2.99Å; T182-E185 VanDerWaalsContact OG1-CG 3.24Å; T182-E185 WeakPolarHBondContact OG1-CG 3.42Å; T182-E185 PolarHBondContact OG1-N 3.42Å; T182-E185 PolarHBondContact OG1-OE2 2.89Å; T182-Q186 PolarHBondContact O-N 3.28Å
183	Q	76.8	Confident	78.9	Confident	173 Å²	173	88.9 Å²	88.9	81%	0.808	50%	0.498	S	S	*	.	H	α-helix	trans	-56.9	-29.7	178.7	-152.2	175.1	20	0	0	112.5	K187	Q183-K187 WeakPolarHBondContact O-CB 3.47Å; Q183-K187 PolarHBondContact O-N 3.45Å; Q183-K187 VanDerWaalsContact O-N 3.16Å
184	A	80.9	Confident	79.3	Confident	76 Å²	76	92.4 Å²	92.4	63%	0.628	52%	0.515	S	S	*	.	H	α-helix	trans	-71	-40	175.1	0	0	0	0	0	112.9	T182 K188	T182-A184 PolarHBondContact O-N 2.86Å; T182-A184 VanDerWaalsContact O-N 3.1Å; A184-K188 WeakPolarHBondContact O-CB 3.31Å; A184-K188 PolarHBondContact O-N 3.4Å
185	E	80.6	Confident	79.8	Confident	101 Å²	101	96.1 Å²	96.1	47%	0.472	52%	0.521	S	S	.	.	H	α-helix	trans	-69.1	-39.4	176.5	-74.6	165.1	146.1	0	0	111.7	T181 T182 K188 L189	T181-E185 HydrophobicContact CG2-CB 3.62Å; T182-E185 PolarHBondContact N-OE2 3.34Å; T182-E185 PolarHBondContact O-N 2.99Å; T182-E185 VanDerWaalsContact OG1-CG 3.24Å; T182-E185 WeakPolarHBondContact OG1-CG 3.42Å; T182-E185 PolarHBondContact OG1-N 3.42Å; T182-E185 PolarHBondContact OG1-OE2 2.89Å; E185-K188 WeakPolarHBondContact O-CB 3.48Å; E185-K188 PolarHBondContact O-N 3.03Å; E185-L189 WeakPolarHBondContact O-CG 3.44Å; E185-L189 PolarHBondContact O-N 3.25Å
186	Q	81.1	Confident	80.4	Confident	74 Å²	74	90.8 Å²	90.8	35%	0.346	49%	0.493	S	S	.	.	H	α-helix	trans	-63	-44.3	176.1	-165.6	172.7	20.6	0	0	111.6	T182 K188 L189 Q190	T182-Q186 PolarHBondContact O-N 3.28Å; Q186-K188 VanDerWaalsContact C-N 3.35Å; Q186-K188 PolarHBondContact O-N 2.93Å; Q186-L189 PolarHBondContact O-N 2.96Å; Q186-Q190 WeakPolarHBondContact O-CG 3.23Å; Q186-Q190 PolarHBondContact O-N 3.23Å
187	K	86.4	Confident	81.4	Confident	133 Å²	133	92.8 Å²	92.8	58%	0.578	50%	0.498	S	S	*	.	H	α-helix	trans	-61.4	-42.3	174.5	-173.7	172.2	-179	175.1	0	111.9	Q183 L189 Q190 D191	Q183-K187 WeakPolarHBondContact O-CB 3.47Å; Q183-K187 PolarHBondContact O-N 3.45Å; Q183-K187 VanDerWaalsContact O-N 3.16Å; K187-L189 VanDerWaalsContact C-N 3.33Å; K187-L189 PolarHBondContact O-N 2.95Å; K187-Q190 PolarHBondContact O-N 2.73Å; K187-D191 VanDerWaalsContact O-CG 3.27Å; K187-D191 PolarHBondContact O-N 3.36Å
188	K	88.7	Confident	83	Confident	158 Å²	158	92.4 Å²	92.4	69%	0.687	50%	0.498	S	S	*	.	H	α-helix	trans	-61.9	-37.9	177.2	-174.8	180	179.7	-178.6	0	112.8	A184 E185 Q186 K192	A184-K188 WeakPolarHBondContact O-CB 3.31Å; A184-K188 PolarHBondContact O-N 3.4Å; E185-K188 WeakPolarHBondContact O-CB 3.48Å; E185-K188 PolarHBondContact O-N 3.03Å; Q186-K188 VanDerWaalsContact C-N 3.35Å; Q186-K188 PolarHBondContact O-N 2.93Å; K188-K192 WeakPolarHBondContact O-CB 3.37Å; K188-K192 PolarHBondContact O-N 2.88Å; K188-K192 VanDerWaalsContact O-N 3.1Å
189	L	87.4	Confident	84.8	Confident	47 Å²	47	92.5 Å²	92.5	25%	0.246	48%	0.482	C	S	.	.	H	α-helix	trans	-68.7	-39.6	175.3	-72.1	171.3	0	0	0	111.8	E173 T176 E185 Q186 K187 K192 L193	E173-L189 HydrophobicContact CG-CB 4.45Å; T176-L189 HydrophobicContact CG2-CD1 3.82Å; E185-L189 WeakPolarHBondContact O-CG 3.44Å; E185-L189 PolarHBondContact O-N 3.25Å; Q186-L189 PolarHBondContact O-N 2.96Å; K187-L189 VanDerWaalsContact C-N 3.33Å; K187-L189 PolarHBondContact O-N 2.95Å; L189-K192 PolarHBondContact O-N 3.31Å; L189-L193 PolarHBondContact O-N 3.1Å
190	Q	88	Confident	86.8	Confident	90 Å²	90	86.6 Å²	86.6	42%	0.421	45%	0.451	S	S	.	.	H	α-helix	trans	-64.5	-46.3	174.5	-73.5	177.4	-8.4	0	0	112.2	E173 Q186 K187 K192 L193 E194	E173-Q190 HydrophobicContact CG-CG 4.37Å; Q186-Q190 WeakPolarHBondContact O-CG 3.23Å; Q186-Q190 PolarHBondContact O-N 3.23Å; K187-Q190 PolarHBondContact O-N 2.73Å; Q190-K192 VanDerWaalsContact C-N 3.26Å; Q190-K192 PolarHBondContact O-N 3.47Å; Q190-L193 PolarHBondContact O-N 3.41Å; Q190-L193 VanDerWaalsContact O-N 3.16Å; Q190-E194 PolarHBondContact O-N 3.46Å
191	D	91.9	Very high	88.5	Confident	98 Å²	98	86.4 Å²	86.4	52%	0.524	43%	0.425	S	S	.	.	H	α-helix	trans	-60.3	-38.3	176.9	-67.7	-20.7	0	0	0	111.3	K187 K195	K187-D191 VanDerWaalsContact O-CG 3.27Å; K187-D191 PolarHBondContact O-N 3.36Å; D191-K195 WeakPolarHBondContact O-CB 3.47Å; D191-K195 PolarHBondContact O-N 3.38Å
192	K	92.6	Very high	90	Very high	106 Å²	106	91.4 Å²	91.4	46%	0.461	44%	0.444	S	S	.	.	H	α-helix	trans	-67.7	-42	175.8	-174.2	171.8	179.9	173	0	112.2	K188 L189 Q190 K195 C196	K188-K192 WeakPolarHBondContact O-CB 3.37Å; K188-K192 PolarHBondContact O-N 2.88Å; K188-K192 VanDerWaalsContact O-N 3.1Å; L189-K192 PolarHBondContact O-N 3.31Å; Q190-K192 VanDerWaalsContact C-N 3.26Å; Q190-K192 PolarHBondContact O-N 3.47Å; K192-K195 PolarHBondContact O-N 2.86Å; K192-C196 PolarHBondContact O-N 3.17Å; K192-C196 PolarHBondContact O-SG 3.48Å; K192-C196 VanDerWaalsContact O-SG 3.34Å
193	L	93.3	Very high	91	Very high	20 Å²	20	89.3 Å²	89.3	11%	0.105	43%	0.43	C	S	.	.	H	α-helix	trans	-62.2	-45.9	175.9	174.2	59	0	0	0	111.2	A169 T170 E173 L189 Q190 K195 C196 K197	A169-L193 HydrophobicContact CB-CD1 4.13Å; T170-L193 VanDerWaalsContact OG1-CD1 3.26Å; T170-L193 WeakPolarHBondContact OG1-CD1 3.34Å; E173-L193 HydrophobicContact CB-CD2 4.37Å; E173-L193 HydrophobicContact CG-CD2 4.36Å; L189-L193 PolarHBondContact O-N 3.1Å; Q190-L193 PolarHBondContact O-N 3.41Å; Q190-L193 VanDerWaalsContact O-N 3.16Å; L193-K195 VanDerWaalsContact C-N 3.31Å; L193-K195 PolarHBondContact O-N 3.36Å; L193-C196 PolarHBondContact O-N 3.09Å; L193-K197 HydrophobicContact CD1-CG 4.44Å; L193-K197 WeakPolarHBondContact O-CG 3.46Å; L193-K197 PolarHBondContact O-N 2.91Å
194	E	94.6	Very high	92	Very high	95 Å²	95	86.1 Å²	86.1	44%	0.444	41%	0.411	S	S	.	.	H	α-helix	trans	-60.6	-41.8	178.2	-175.2	55.7	-151.8	0	0	111.5	Q190 K197 Q198	Q190-E194 PolarHBondContact O-N 3.46Å; E194-K197 PolarHBondContact O-N 3.05Å; E194-Q198 WeakPolarHBondContact O-CG 3.37Å; E194-Q198 PolarHBondContact O-N 3.47Å; E194-Q198 PolarHBondContact OE1-NE2 3.48Å
195	K	95.7	Very high	92.9	Very high	134 Å²	134	87.5 Å²	87.5	58%	0.583	41%	0.405	S	S	*	.	H	α-helix	trans	-60.7	-46.2	173.1	-175.3	175.3	179.9	177.4	0	112.4	D191 K192 L193 K197 Q198 D199	D191-K195 WeakPolarHBondContact O-CB 3.47Å; D191-K195 PolarHBondContact O-N 3.38Å; K192-K195 PolarHBondContact O-N 2.86Å; L193-K195 VanDerWaalsContact C-N 3.31Å; L193-K195 PolarHBondContact O-N 3.36Å; K195-K197 VanDerWaalsContact C-N 3.3Å; K195-K197 PolarHBondContact O-N 3.45Å; K195-Q198 PolarHBondContact O-N 3.29Å; K195-D199 PolarHBondContact O-N 2.82Å
196	C	95.4	Very high	93.7	Very high	16 Å²	16	88.7 Å²	88.7	11%	0.108	41%	0.408	C	S	.	.	H	α-helix	trans	-62	-37	177.9	-70.2	0	0	0	0	112.3	E166 A169 K192 L193 D199 S200	E166-C196 HydrophobicContact CB-CB 4.2Å; E166-C196 HydrophobicContact CG-CB 4.46Å; A169-C196 HydrophobicContact CB-CB 4.3Å; K192-C196 PolarHBondContact O-N 3.17Å; K192-C196 PolarHBondContact O-SG 3.48Å; K192-C196 VanDerWaalsContact O-SG 3.34Å; L193-C196 PolarHBondContact O-N 3.09Å; C196-D199 PolarHBondContact O-N 3.42Å; C196-S200 VanDerWaalsContact O-CB 3.32Å; C196-S200 WeakPolarHBondContact O-CB 3.36Å; C196-S200 PolarHBondContact O-N 3.44Å
197	K	95.6	Very high	94.5	Very high	91 Å²	91	87.4 Å²	87.4	40%	0.396	40%	0.4	S	S	.	.	H	α-helix	trans	-63.7	-45.2	174	-74.6	178.2	175.2	-178.9	0	112.3	E166 L193 E194 K195 D199 S200 Q201	E166-K197 HydrophobicContact CG-CG 4Å; L193-K197 HydrophobicContact CD1-CG 4.44Å; L193-K197 WeakPolarHBondContact O-CG 3.46Å; L193-K197 PolarHBondContact O-N 2.91Å; E194-K197 PolarHBondContact O-N 3.05Å; K195-K197 VanDerWaalsContact C-N 3.3Å; K195-K197 PolarHBondContact O-N 3.45Å; K197-D199 VanDerWaalsContact C-N 3.34Å; K197-D199 PolarHBondContact O-N 2.9Å; K197-S200 WeakPolarHBondContact O-CB 3.22Å; K197-S200 PolarHBondContact O-N 3.04Å; K197-Q201 PolarHBondContact O-N 3.13Å
198	Q	96.4	Very high	95.1	Very high	114 Å²	114	84.7 Å²	84.7	53%	0.533	39%	0.39	S	S	.	.	H	α-helix	trans	-63	-41	176.4	-69.9	174.3	12.6	0	0	111.8	E194 K195 Q201 K202	E194-Q198 WeakPolarHBondContact O-CG 3.37Å; E194-Q198 PolarHBondContact O-N 3.47Å; E194-Q198 PolarHBondContact OE1-NE2 3.48Å; K195-Q198 PolarHBondContact O-N 3.29Å; Q198-Q201 PolarHBondContact O-N 3.01Å; Q198-K202 VanDerWaalsContact O-CB 3.29Å; Q198-K202 WeakPolarHBondContact O-CB 3.36Å; Q198-K202 PolarHBondContact O-N 3.07Å
199	D	96.4	Very high	95.5	Very high	72 Å²	72	83.4 Å²	83.4	39%	0.385	38%	0.384	S	S	.	.	H	α-helix	trans	-65.2	-40.6	176.4	-73.6	-21.8	0	0	0	111.8	K195 C196 K197 K202 T203	K195-D199 PolarHBondContact O-N 2.82Å; C196-D199 PolarHBondContact O-N 3.42Å; K197-D199 VanDerWaalsContact C-N 3.34Å; K197-D199 PolarHBondContact O-N 2.9Å; D199-K202 PolarHBondContact O-N 2.93Å; D199-T203 WeakPolarHBondContact O-CB 3.44Å; D199-T203 WeakPolarHBondContact O-CG2 3.32Å; D199-T203 PolarHBondContact O-N 3.46Å; D199-T203 PolarHBondContact O-OG1 2.93Å
200	S	96.8	Very high	96	Very high	10 Å²	10	82 Å²	82	7%	0.07	38%	0.377	C	S	.	.	H	α-helix	trans	-61	-48.4	174.3	-173.9	0	0	0	0	111.7	E166 C196 K197 K202 T203 R204	E166-S200 WeakPolarHBondContact OE2-CB 3.36Å; E166-S200 PolarHBondContact OE2-OG 3.41Å; C196-S200 VanDerWaalsContact O-CB 3.32Å; C196-S200 WeakPolarHBondContact O-CB 3.36Å; C196-S200 PolarHBondContact O-N 3.44Å; K197-S200 WeakPolarHBondContact O-CB 3.22Å; K197-S200 PolarHBondContact O-N 3.04Å; S200-K202 PolarHBondContact O-N 3.07Å; S200-T203 PolarHBondContact O-N 3.36Å; S200-T203 PolarHBondContact O-OG1 3.44Å; S200-R204 WeakPolarHBondContact O-CB 3.34Å; S200-R204 PolarHBondContact O-N 3.38Å
201	Q	97.3	Very high	96.5	Very high	88 Å²	88	80.2 Å²	80.2	41%	0.411	37%	0.37	S	S	.	.	H	α-helix	trans	-63.5	-44.3	176.9	-178.6	58.1	26.8	0	0	112.3	K197 Q198 T203 R204 E205	K197-Q201 PolarHBondContact O-N 3.13Å; Q198-Q201 PolarHBondContact O-N 3.01Å; Q201-T203 VanDerWaalsContact C-N 3.35Å; Q201-T203 PolarHBondContact O-N 3.47Å; Q201-R204 WeakPolarHBondContact O-CB 3.4Å; Q201-R204 PolarHBondContact O-N 2.96Å; Q201-E205 PolarHBondContact NE2-OE1 2.99Å; Q201-E205 PolarHBondContact O-N 3.3Å
202	K	97.9	Very high	96.8	Very high	148 Å²	148	80 Å²	80	64%	0.643	37%	0.369	S	S	*	.	H	α-helix	trans	-63.1	-40.5	178.5	-178.7	179.8	178.7	179.9	0	112.5	Q198 D199 S200 K206	Q198-K202 VanDerWaalsContact O-CB 3.29Å; Q198-K202 WeakPolarHBondContact O-CB 3.36Å; Q198-K202 PolarHBondContact O-N 3.07Å; D199-K202 PolarHBondContact O-N 2.93Å; S200-K202 PolarHBondContact O-N 3.07Å; K202-K206 PolarHBondContact O-N 3.19Å
203	T	97.8	Very high	96.9	Very high	31 Å²	31	77.5 Å²	77.5	19%	0.19	36%	0.359	C	S	.	.	H	α-helix	trans	-71.8	-32	177.3	50.6	0	0	0	0	112	A162 D199 S200 Q201 K206 Y207	A162-T203 HydrophobicContact CB-CG2 4.28Å; A162-T203 WeakPolarHBondContact CB-OG1 3.45Å; D199-T203 WeakPolarHBondContact O-CB 3.44Å; D199-T203 WeakPolarHBondContact O-CG2 3.32Å; D199-T203 PolarHBondContact O-N 3.46Å; D199-T203 PolarHBondContact O-OG1 2.93Å; S200-T203 PolarHBondContact O-N 3.36Å; S200-T203 PolarHBondContact O-OG1 3.44Å; Q201-T203 VanDerWaalsContact C-N 3.35Å; Q201-T203 PolarHBondContact O-N 3.47Å; T203-K206 PolarHBondContact O-N 3.46Å; T203-Y207 WeakPolarHBondContact O-CB 3.39Å; T203-Y207 PolarHBondContact O-N 3.35Å
204	R	97.9	Very high	97.1	Very high	107 Å²	107	77.2 Å²	77.2	40%	0.404	36%	0.358	S	S	.	.	H	α-helix	trans	-60.4	-53.7	170.4	-174.9	-178.2	170.5	166.7	2	112.2	Y159 S200 Q201 K206 Y207 E208	Y159-R204 HydrophobicContact CD2-CB 3.75Å; Y159-R204 HydrophobicContact CD2-CG 4.47Å; Y159-R204 HydrophobicContact CE2-CB 3.55Å; Y159-R204 HydrophobicContact CE2-CG 3.98Å; S200-R204 WeakPolarHBondContact O-CB 3.34Å; S200-R204 PolarHBondContact O-N 3.38Å; Q201-R204 WeakPolarHBondContact O-CB 3.4Å; Q201-R204 PolarHBondContact O-N 2.96Å; R204-K206 PolarHBondContact O-N 2.98Å; R204-Y207 WeakPolarHBondContact O-CA 3.39Å; R204-Y207 WeakPolarHBondContact O-CB 3.19Å; R204-Y207 PolarHBondContact O-N 3.37Å; R204-E208 HydrophobicContact CG-CG 4.46Å; R204-E208 IonicContact CZ-OE1 3.17Å; R204-E208 IonicContact NE-OE1 2.82Å; R204-E208 PolarHBondContact NE-OE1 3.41Å; R204-E208 IonicContact NH2-OE1 2.77Å; R204-E208 PolarHBondContact NH2-OE1 3.01Å; R204-E208 PolarHBondContact O-N 3.47Å
205	E	98.1	Very high	97.3	Very high	105 Å²	105	77.5 Å²	77.5	49%	0.491	36%	0.363	S	S	.	.	H	α-helix	trans	-58.8	-38	179.1	-72.3	168.8	-167	0	0	111.8	Q201 K209	Q201-E205 PolarHBondContact NE2-OE1 2.99Å; Q201-E205 PolarHBondContact O-N 3.3Å; E205-K209 VanDerWaalsContact O-CB 3.3Å; E205-K209 WeakPolarHBondContact O-CB 3.47Å; E205-K209 PolarHBondContact O-N 2.85Å
206	K	97.8	Very high	97.3	Very high	125 Å²	125	78.7 Å²	78.7	54%	0.543	37%	0.368	S	S	.	.	H	α-helix	trans	-64.4	-42.2	173.9	-174.3	179.6	178.3	-175.2	0	111.8	K202 T203 R204 T210	K202-K206 PolarHBondContact O-N 3.19Å; T203-K206 PolarHBondContact O-N 3.46Å; R204-K206 PolarHBondContact O-N 2.98Å; K206-T210 WeakPolarHBondContact O-CG2 3.32Å; K206-T210 PolarHBondContact O-N 3.17Å; K206-T210 PolarHBondContact O-OG1 2.77Å
207	Y	98.4	Very high	97.2	Very high	47 Å²	47	83.5 Å²	83.5	18%	0.184	38%	0.384	C	S	.	.	H	α-helix	trans	-65.1	-48.3	178	176.3	-136.6	0	0	0	111.7	V152 A155 K156 Y159 T203 R204 K209 T210 L211	V152-Y207 HydrophobicContact CG1-CD2 4.36Å; V152-Y207 HydrophobicContact CG1-CE2 3.69Å; A155-Y207 HydrophobicContact CB-CD2 4.09Å; K156-Y207 HydrophobicContact CB-CD2 4.06Å; K156-Y207 HydrophobicContact CB-CE2 3.63Å; K156-Y207 HydrophobicContact CG-CE2 4.29Å; Y159-Y207 HydrophobicContact CD1-CD1 4.11Å; T203-Y207 WeakPolarHBondContact O-CB 3.39Å; T203-Y207 PolarHBondContact O-N 3.35Å; R204-Y207 WeakPolarHBondContact O-CA 3.39Å; R204-Y207 WeakPolarHBondContact O-CB 3.19Å; R204-Y207 PolarHBondContact O-N 3.37Å; Y207-K209 VanDerWaalsContact C-N 3.33Å; Y207-K209 PolarHBondContact O-N 2.92Å; Y207-T210 WeakPolarHBondContact CA-OG1 3.49Å; Y207-T210 PolarHBondContact O-N 3.06Å; Y207-T210 VanDerWaalsContact O-N 3.12Å; Y207-T210 PolarHBondContact O-OG1 2.69Å; Y207-L211 HydrophobicContact CD1-CD1 4.41Å; Y207-L211 HydrophobicContact CD2-CD1 4.24Å; Y207-L211 HydrophobicContact CD2-CG 4.26Å; Y207-L211 HydrophobicContact CE1-CD1 4Å; Y207-L211 HydrophobicContact CE2-CD1 3.81Å; Y207-L211 HydrophobicContact CE2-CD2 4.18Å; Y207-L211 HydrophobicContact CE2-CG 3.87Å; Y207-L211 PolarHBondContact O-N 3.32Å
208	E	98.3	Very high	97.3	Very high	77 Å²	77	81 Å²	81	36%	0.36	38%	0.376	S	S	.	.	H	α-helix	trans	-56.7	-45.6	174.7	-71	171.7	174.9	0	0	110.9	R204 T210 L211 D212	R204-E208 HydrophobicContact CG-CG 4.46Å; R204-E208 IonicContact CZ-OE1 3.17Å; R204-E208 IonicContact NE-OE1 2.82Å; R204-E208 PolarHBondContact NE-OE1 3.41Å; R204-E208 IonicContact NH2-OE1 2.77Å; R204-E208 PolarHBondContact NH2-OE1 3.01Å; R204-E208 PolarHBondContact O-N 3.47Å; E208-T210 VanDerWaalsContact C-N 3.35Å; E208-T210 PolarHBondContact O-N 2.88Å; E208-L211 WeakPolarHBondContact O-CB 3.4Å; E208-L211 PolarHBondContact O-N 2.95Å; E208-L211 VanDerWaalsContact O-N 3.14Å; E208-D212 PolarHBondContact O-N 3.22Å
209	K	98	Very high	97.4	Very high	131 Å²	131	79.6 Å²	79.6	57%	0.57	38%	0.377	S	S	*	.	H	α-helix	trans	-59.6	-42	175.5	-177.3	-179.1	177	-177.9	0	113.1	E205 Y207 L211 D212 E213	E205-K209 VanDerWaalsContact O-CB 3.3Å; E205-K209 WeakPolarHBondContact O-CB 3.47Å; E205-K209 PolarHBondContact O-N 2.85Å; Y207-K209 VanDerWaalsContact C-N 3.33Å; Y207-K209 PolarHBondContact O-N 2.92Å; K209-L211 VanDerWaalsContact C-N 3.31Å; K209-D212 PolarHBondContact O-N 3.44Å; K209-E213 WeakPolarHBondContact CE-OE1 3.27Å; K209-E213 WeakPolarHBondContact O-CG 3.37Å; K209-E213 PolarHBondContact O-N 2.98Å
210	T	97.9	Very high	97.5	Very high	16 Å²	16	80.2 Å²	80.2	10%	0.098	38%	0.378	C	S	.	.	H	α-helix	trans	-67.8	-32.3	178.1	51.5	0	0	0	0	112.3	V152 A155 K206 Y207 E208 E213 L214	V152-T210 VanDerWaalsContact CG2-O 3.27Å; V152-T210 WeakPolarHBondContact CG2-O 3.34Å; A155-T210 HydrophobicContact CB-CG2 4.22Å; A155-T210 WeakPolarHBondContact CB-OG1 3.37Å; K206-T210 WeakPolarHBondContact O-CG2 3.32Å; K206-T210 PolarHBondContact O-N 3.17Å; K206-T210 PolarHBondContact O-OG1 2.77Å; Y207-T210 WeakPolarHBondContact CA-OG1 3.49Å; Y207-T210 PolarHBondContact O-N 3.06Å; Y207-T210 VanDerWaalsContact O-N 3.12Å; Y207-T210 PolarHBondContact O-OG1 2.69Å; E208-T210 VanDerWaalsContact C-N 3.35Å; E208-T210 PolarHBondContact O-N 2.88Å; T210-E213 PolarHBondContact O-N 2.76Å; T210-L214 PolarHBondContact O-N 3.43Å
211	L	98.1	Very high	97.6	Very high	53 Å²	53	80.2 Å²	80.2	28%	0.277	38%	0.376	S	S	.	.	H	α-helix	trans	-66.2	-48.6	173.1	-73.9	168.4	0	0	0	110.9	V152 Y207 E208 K209 E213 L214 D215	V152-L211 HydrophobicContact CG1-CD2 3.57Å; V152-L211 HydrophobicContact CG1-CG 4.19Å; V152-L211 HydrophobicContact CG2-CD2 4.4Å; Y207-L211 HydrophobicContact CD1-CD1 4.41Å; Y207-L211 HydrophobicContact CD2-CD1 4.24Å; Y207-L211 HydrophobicContact CD2-CG 4.26Å; Y207-L211 HydrophobicContact CE1-CD1 4Å; Y207-L211 HydrophobicContact CE2-CD1 3.81Å; Y207-L211 HydrophobicContact CE2-CD2 4.18Å; Y207-L211 HydrophobicContact CE2-CG 3.87Å; Y207-L211 PolarHBondContact O-N 3.32Å; E208-L211 WeakPolarHBondContact O-CB 3.4Å; E208-L211 PolarHBondContact O-N 2.95Å; E208-L211 VanDerWaalsContact O-N 3.14Å; K209-L211 VanDerWaalsContact C-N 3.31Å; L211-E213 PolarHBondContact O-N 2.87Å; L211-L214 WeakPolarHBondContact O-CA 3.44Å; L211-L214 WeakPolarHBondContact O-CB 3.21Å; L211-L214 PolarHBondContact O-N 3.46Å; L211-D215 PolarHBondContact O-N 3.19Å
212	D	97.6	Very high	97.6	Very high	93 Å²	93	78.9 Å²	78.9	50%	0.497	37%	0.371	S	S	.	.	H	α-helix	trans	-58.5	-36	176.1	-74.4	-9.8	0	0	0	112.5	E208 K209 K216	E208-D212 PolarHBondContact O-N 3.22Å; K209-D212 PolarHBondContact O-N 3.44Å; D212-K216 WeakPolarHBondContact O-CD 3.38Å; D212-K216 VanDerWaalsContact O-CG 3.28Å; D212-K216 WeakPolarHBondContact O-CG 3.26Å; D212-K216 PolarHBondContact O-N 3.35Å
213	E	96	Very high	97.7	Very high	55 Å²	55	77.3 Å²	77.3	26%	0.257	37%	0.366	S	S	.	.	H	α-helix	trans	-66.9	-44.5	173.1	-75.4	-177.7	-159.6	0	0	111.5	K148 K209 T210 L211 K216 W217	K148-E213 IonicContact NZ-OE2 3.53Å; K148-E213 PolarHBondContact NZ-OE2 3.12Å; K209-E213 WeakPolarHBondContact CE-OE1 3.27Å; K209-E213 WeakPolarHBondContact O-CG 3.37Å; K209-E213 PolarHBondContact O-N 2.98Å; T210-E213 PolarHBondContact O-N 2.76Å; L211-E213 PolarHBondContact O-N 2.87Å; E213-K216 PolarHBondContact O-N 3.4Å; E213-W217 VanDerWaalsContact O-CD1 3.23Å; E213-W217 PolarHBondContact O-N 2.98Å
214	L	97.5	Very high	97.7	Very high	13 Å²	13	78 Å²	78	7%	0.068	37%	0.369	C	S	.	.	H	α-helix	trans	-60.4	-45.1	176.9	-176.8	67	0	0	0	111.6	W145 K148 L149 V152 T210 L211 K216 W217 T218	W145-L214 HydrophobicContact CD2-CD1 4.19Å; W145-L214 HydrophobicContact CG-CD1 4.1Å; W145-L214 HydrophobicContact CZ2-CD1 4.42Å; W145-L214 HydrophobicContact CZ2-CD2 4.48Å; K148-L214 HydrophobicContact CB-CD1 3.64Å; L149-L214 HydrophobicContact CB-CD1 4.34Å; L149-L214 HydrophobicContact CD1-CD2 4.01Å; V152-L214 HydrophobicContact CG2-CB 4.03Å; V152-L214 HydrophobicContact CG2-CD2 4.06Å; T210-L214 PolarHBondContact O-N 3.43Å; L211-L214 WeakPolarHBondContact O-CA 3.44Å; L211-L214 WeakPolarHBondContact O-CB 3.21Å; L211-L214 PolarHBondContact O-N 3.46Å; L214-K216 VanDerWaalsContact C-N 3.25Å; L214-K216 PolarHBondContact O-N 3.14Å; L214-W217 PolarHBondContact O-N 3.39Å; L214-T218 PolarHBondContact O-N 3.01Å; L214-T218 VanDerWaalsContact O-N 3.08Å; L214-T218 PolarHBondContact O-OG1 3.23Å
215	D	97.4	Very high	97.7	Very high	102 Å²	102	73 Å²	73	55%	0.545	35%	0.35	S	S	.	.	H	α-helix	trans	-59.8	-35.9	-179.8	-74.7	-11.5	0	0	0	112.1	L211 W217 T218 P219	L211-D215 PolarHBondContact O-N 3.19Å; D215-W217 VanDerWaalsContact C-N 3.28Å; D215-W217 PolarHBondContact O-N 2.96Å; D215-T218 PolarHBondContact O-N 3.06Å; D215-P219 WeakPolarHBondContact O-CD 3.34Å
216	K	96.4	Very high	97.8	Very high	159 Å²	159	72.3 Å²	72.3	69%	0.691	35%	0.347	S	S	*	.	H	α-helix	trans	-66.5	-27.8	174.5	-70.4	166.2	-170.2	169.6	0	113.5	D212 E213 L214	D212-K216 WeakPolarHBondContact O-CD 3.38Å; D212-K216 VanDerWaalsContact O-CG 3.28Å; D212-K216 WeakPolarHBondContact O-CG 3.26Å; D212-K216 PolarHBondContact O-N 3.35Å; E213-K216 PolarHBondContact O-N 3.4Å; L214-K216 VanDerWaalsContact C-N 3.25Å; L214-K216 PolarHBondContact O-N 3.14Å
217	W	94.5	Very high	97.8	Very high	116 Å²	116	71.7 Å²	71.7	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-85.4	-21.9	176.7	-78.5	94.8	0	0	0	112.9	P144 K148 E213 L214 D215 Q220 Y221	P144-W217 HydrophobicContact CB-CE3 3.99Å; P144-W217 HydrophobicContact CB-CZ3 3.89Å; K148-W217 HydrophobicContact CG-CG 4.43Å; E213-W217 VanDerWaalsContact O-CD1 3.23Å; E213-W217 PolarHBondContact O-N 2.98Å; L214-W217 PolarHBondContact O-N 3.39Å; D215-W217 VanDerWaalsContact C-N 3.28Å; D215-W217 PolarHBondContact O-N 2.96Å; W217-Q220 PolarHBondContact O-N 3.37Å; W217-Y221 WeakPolarHBondContact O-CB 3.42Å; W217-Y221 PolarHBondContact O-N 3.06Å
218	T	97.6	Very high	97.8	Very high	38 Å²	38	70.1 Å²	70.1	23%	0.233	34%	0.341	C	S	.	.	H	α-helix	trans	-59.2	-42.8	-173.5	-62	0	0	0	0	113.8	W145 L214 D215 Q220 Y221 I222	W145-T218 PolarHBondContact NE1-OG1 3.39Å; W145-T218 VanDerWaalsContact NE1-OG1 3.15Å; L214-T218 PolarHBondContact O-N 3.01Å; L214-T218 VanDerWaalsContact O-N 3.08Å; L214-T218 PolarHBondContact O-OG1 3.23Å; D215-T218 PolarHBondContact O-N 3.06Å; T218-Q220 PolarHBondContact O-N 3.33Å; T218-Y221 WeakPolarHBondContact O-CB 3.49Å; T218-Y221 PolarHBondContact O-N 2.75Å; T218-I222 HydrophobicContact CG2-CD1 3.8Å; T218-I222 HydrophobicContact CG2-CG1 4.33Å; T218-I222 WeakPolarHBondContact O-CG1 3.33Å; T218-I222 PolarHBondContact O-N 3.43Å
219	P	98.4	Very high	97.9	Very high	86 Å²	86	69.3 Å²	69.3	56%	0.558	34%	0.336	S	S	*	.	H	α-helix	trans	-58.9	-46.3	176.1	-27	35.2	0	0	0	113.4	D215 Y221 I222 E223	D215-P219 WeakPolarHBondContact O-CD 3.34Å; P219-Y221 VanDerWaalsContact C-N 3.31Å; P219-Y221 PolarHBondContact O-N 2.95Å; P219-I222 PolarHBondContact O-N 2.94Å; P219-E223 PolarHBondContact O-N 3.05Å
220	Q	97.8	Very high	97.9	Very high	85 Å²	85	67 Å²	67	40%	0.397	33%	0.33	S	S	.	.	H	α-helix	trans	-67.8	-34	178.8	-171.4	65.7	73.6	0	0	111.9	W217 T218 E223 N224	W217-Q220 PolarHBondContact O-N 3.37Å; T218-Q220 PolarHBondContact O-N 3.33Å; Q220-E223 PolarHBondContact NE2-OE2 3.02Å; Q220-N224 PolarHBondContact NE2-OD1 2.99Å; Q220-N224 VanDerWaalsContact NE2-OD1 3.1Å; Q220-N224 WeakPolarHBondContact O-CB 3.43Å; Q220-N224 PolarHBondContact O-N 3.46Å; Q220-N224 PolarHBondContact O-ND2 3.35Å; Q220-N224 VanDerWaalsContact O-ND2 3.12Å
221	Y	98.4	Very high	97.9	Very high	10 Å²	10	71.5 Å²	71.5	4%	0.039	35%	0.35	C	S	.	.	H	α-helix	trans	-61.4	-50.4	172.8	166.6	-119.5	0	0	0	111.3	W19 Q142 W145 W217 T218 P219 N224 M225	W19-Y221 AromaticContact CE3-CE1 3.86Å; W19-Y221 HydrophobicContact CE3-CE1 3.86Å; W19-Y221 HydrophobicContact CZ3-CE1 4.49Å; W19-Y221 PolarHBondContact O-OH 3.4Å; Q142-Y221 HydrophobicContact CB-CE2 3.94Å; Q142-Y221 HydrophobicContact CG-CE2 3.73Å; Q142-Y221 PolarHBondContact NE2-OH 3.25Å; W145-Y221 HydrophobicContact CB-CD1 4.36Å; W145-Y221 HydrophobicContact CB-CD2 3.8Å; W145-Y221 HydrophobicContact CB-CE2 4.47Å; W145-Y221 HydrophobicContact CB-CG 3.73Å; W145-Y221 AromaticContact CD1-CD1 3.84Å; W145-Y221 AromaticContact CD1-CG 3.88Å; W145-Y221 AromaticContact CD2-CD1 3.91Å; W145-Y221 HydrophobicContact CD2-CD1 3.91Å; W145-Y221 AromaticContact CD2-CE1 3.99Å; W145-Y221 HydrophobicContact CD2-CE1 3.99Å; W145-Y221 HydrophobicContact CD2-CG 4.18Å; W145-Y221 HydrophobicContact CE3-CE1 4.18Å; W145-Y221 AromaticContact CG-CD1 3.8Å; W145-Y221 HydrophobicContact CG-CD1 3.8Å; W145-Y221 HydrophobicContact CG-CD2 4.11Å; W145-Y221 HydrophobicContact CG-CE1 4.33Å; W145-Y221 AromaticContact CG-CG 3.65Å; W145-Y221 HydrophobicContact CG-CG 3.65Å; W145-Y221 AromaticContact NE1-CD1 3.98Å; W217-Y221 WeakPolarHBondContact O-CB 3.42Å; W217-Y221 PolarHBondContact O-N 3.06Å; T218-Y221 WeakPolarHBondContact O-CB 3.49Å; T218-Y221 PolarHBondContact O-N 2.75Å; P219-Y221 VanDerWaalsContact C-N 3.31Å; P219-Y221 PolarHBondContact O-N 2.95Å; Y221-N224 PolarHBondContact O-N 3.5Å; Y221-M225 HydrophobicContact CD2-CG 3.58Å; Y221-M225 HydrophobicContact CD2-SD 4.42Å; Y221-M225 HydrophobicContact CE2-CE 4.2Å; Y221-M225 HydrophobicContact CE2-CG 3.21Å; Y221-M225 HydrophobicContact CE2-SD 3.73Å; Y221-M225 HydrophobicContact CG-CG 4.43Å; Y221-M225 WeakPolarHBondContact O-CB 3.2Å; Y221-M225 WeakPolarHBondContact O-CG 3.4Å; Y221-M225 PolarHBondContact O-N 2.91Å
222	I	98.6	Very high	98	Very high	60 Å²	60	69.3 Å²	69.3	31%	0.308	34%	0.339	S	S	.	.	H	α-helix	trans	-58	-53.1	178.4	-69.6	168.2	0	0	0	110.1	W19 T218 P219 N224 M225 E226	W19-I222 HydrophobicContact CH2-CB 4.35Å; W19-I222 HydrophobicContact CH2-CG1 4.24Å; W19-I222 HydrophobicContact CH2-CG2 3.91Å; W19-I222 HydrophobicContact CZ3-CB 4.35Å; W19-I222 HydrophobicContact CZ3-CG1 4.06Å; W19-I222 HydrophobicContact CZ3-CG2 4.4Å; T218-I222 HydrophobicContact CG2-CD1 3.8Å; T218-I222 HydrophobicContact CG2-CG1 4.33Å; T218-I222 WeakPolarHBondContact O-CG1 3.33Å; T218-I222 PolarHBondContact O-N 3.43Å; P219-I222 PolarHBondContact O-N 2.94Å; I222-N224 PolarHBondContact O-N 3.45Å; I222-M225 PolarHBondContact O-N 3.04Å; I222-E226 HydrophobicContact CG2-CG 4.29Å; I222-E226 WeakPolarHBondContact O-CB 3.19Å; I222-E226 WeakPolarHBondContact O-CG 3.36Å; I222-E226 PolarHBondContact O-N 3.46Å
223	E	98.6	Very high	98	Very high	114 Å²	114	68.3 Å²	68.3	53%	0.533	33%	0.332	S	S	.	.	H	α-helix	trans	-55.6	-48.2	-179.7	-177	-175.2	-162.4	0	0	112.2	P219 Q220 M225 E226 Q227	P219-E223 PolarHBondContact O-N 3.05Å; Q220-E223 PolarHBondContact NE2-OE2 3.02Å; E223-M225 PolarHBondContact O-N 2.87Å; E223-E226 PolarHBondContact O-N 3.27Å; E223-Q227 WeakPolarHBondContact O-CB 3.49Å; E223-Q227 PolarHBondContact O-N 3.24Å
224	N	98.6	Very high	98.2	Very high	47 Å²	47	71.1 Å²	71.1	25%	0.251	35%	0.345	S	S	.	.	H	α-helix	trans	-67.7	-37.8	-178.9	-70.4	-22.6	0	0	0	112.5	A141 Q220 Y221 I222 V228	A141-N224 HydrophobicContact CB-CB 3.68Å; Q220-N224 PolarHBondContact NE2-OD1 2.99Å; Q220-N224 VanDerWaalsContact NE2-OD1 3.1Å; Q220-N224 WeakPolarHBondContact O-CB 3.43Å; Q220-N224 PolarHBondContact O-N 3.46Å; Q220-N224 PolarHBondContact O-ND2 3.35Å; Q220-N224 VanDerWaalsContact O-ND2 3.12Å; Y221-N224 PolarHBondContact O-N 3.5Å; I222-N224 PolarHBondContact O-N 3.45Å; N224-V228 WeakPolarHBondContact O-CG2 3.43Å; N224-V228 PolarHBondContact O-N 3.18Å
225	M	98.8	Very high	98.2	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-68.1	-43.4	177	-72.7	-67.6	-76	0	0	111.2	F18 W19 Y24 F138 A141 Q142 Y221 I222 E223 Q227 V228 F229	F18-M225 HydrophobicContact CE1-CB 4.24Å; F18-M225 HydrophobicContact CE1-CE 3.92Å; F18-M225 HydrophobicContact CE2-CE 4.36Å; F18-M225 HydrophobicContact CZ-CB 4.47Å; F18-M225 HydrophobicContact CZ-CE 3.68Å; W19-M225 HydrophobicContact CZ3-CB 3.85Å; W19-M225 HydrophobicContact CZ3-CG 4.39Å; Y24-M225 HydrophobicContact CD1-CE 4.06Å; Y24-M225 HydrophobicContact CG-CE 4.5Å; F138-M225 HydrophobicContact CD1-CE 3.79Å; F138-M225 HydrophobicContact CD1-SD 3.78Å; F138-M225 HydrophobicContact CE1-CE 4.31Å; A141-M225 HydrophobicContact CB-CG 4.26Å; A141-M225 HydrophobicContact CB-SD 3.81Å; Q142-M225 HydrophobicContact CB-SD 3.97Å; Y221-M225 HydrophobicContact CD2-CG 3.58Å; Y221-M225 HydrophobicContact CD2-SD 4.42Å; Y221-M225 HydrophobicContact CE2-CE 4.2Å; Y221-M225 HydrophobicContact CE2-CG 3.21Å; Y221-M225 HydrophobicContact CE2-SD 3.73Å; Y221-M225 HydrophobicContact CG-CG 4.43Å; Y221-M225 WeakPolarHBondContact O-CB 3.2Å; Y221-M225 WeakPolarHBondContact O-CG 3.4Å; Y221-M225 PolarHBondContact O-N 2.91Å; I222-M225 PolarHBondContact O-N 3.04Å; E223-M225 PolarHBondContact O-N 2.87Å; M225-Q227 VanDerWaalsContact C-N 3.32Å; M225-Q227 PolarHBondContact O-N 2.98Å; M225-V228 PolarHBondContact O-N 3.32Å; M225-F229 VanDerWaalsContact O-CB 3.31Å; M225-F229 WeakPolarHBondContact O-CB 3.28Å; M225-F229 PolarHBondContact O-N 3.39Å
226	E	98.8	Very high	98.3	Very high	92 Å²	92	68.5 Å²	68.5	43%	0.43	33%	0.328	S	S	.	.	H	α-helix	trans	-62.1	-40.1	175.6	-74.4	-178.8	173.2	0	0	111.5	W19 I222 E223 V228 F229 N230	W19-E226 HydrophobicContact CH2-CG 4.08Å; I222-E226 HydrophobicContact CG2-CG 4.29Å; I222-E226 WeakPolarHBondContact O-CB 3.19Å; I222-E226 WeakPolarHBondContact O-CG 3.36Å; I222-E226 PolarHBondContact O-N 3.46Å; E223-E226 PolarHBondContact O-N 3.27Å; E226-V228 PolarHBondContact O-N 2.85Å; E226-F229 PolarHBondContact O-N 3.02Å; E226-N230 WeakPolarHBondContact O-CB 3.38Å; E226-N230 PolarHBondContact O-N 2.96Å; E226-N230 PolarHBondContact O-ND2 3.04Å
227	Q	98.8	Very high	98.4	Very high	111 Å²	111	66.9 Å²	66.9	52%	0.519	32%	0.323	S	S	.	.	H	α-helix	trans	-57.8	-49	176.8	-173.9	-177.1	13.5	0	0	112	E223 M225 N230 Q231	E223-Q227 WeakPolarHBondContact O-CB 3.49Å; E223-Q227 PolarHBondContact O-N 3.24Å; M225-Q227 VanDerWaalsContact C-N 3.32Å; M225-Q227 PolarHBondContact O-N 2.98Å; Q227-N230 PolarHBondContact O-N 3.41Å; Q227-Q231 WeakPolarHBondContact O-CG 3.45Å; Q227-Q231 PolarHBondContact O-N 3.07Å
228	V	98.8	Very high	98.6	Very high	14 Å²	14	67.7 Å²	67.7	9%	0.085	33%	0.33	C	S	.	.	H	α-helix	trans	-68.6	-38.8	178.5	-178.1	0	0	0	0	110.8	F138 N224 M225 E226 N230 Q231 C232	F138-V228 HydrophobicContact CD1-CB 3.99Å; F138-V228 HydrophobicContact CD1-CG1 3.87Å; F138-V228 HydrophobicContact CD2-CG1 3.82Å; F138-V228 HydrophobicContact CE1-CB 3.83Å; F138-V228 HydrophobicContact CE1-CG1 3.82Å; F138-V228 HydrophobicContact CE2-CG1 3.78Å; F138-V228 HydrophobicContact CG-CB 4.46Å; F138-V228 HydrophobicContact CG-CG1 3.87Å; F138-V228 HydrophobicContact CZ-CB 4.2Å; F138-V228 HydrophobicContact CZ-CG1 3.79Å; N224-V228 WeakPolarHBondContact O-CG2 3.43Å; N224-V228 PolarHBondContact O-N 3.18Å; M225-V228 PolarHBondContact O-N 3.32Å; E226-V228 PolarHBondContact O-N 2.85Å; V228-N230 PolarHBondContact O-N 3.04Å; V228-Q231 PolarHBondContact O-N 3.47Å; V228-C232 PolarHBondContact O-N 2.66Å; V228-C232 VanDerWaalsContact O-N 3.12Å; V228-C232 PolarHBondContact O-SG 3.26Å
229	F	98.8	Very high	98.7	Very high	61 Å²	61	66.7 Å²	66.7	27%	0.268	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-44	176.6	-178.8	-98.2	0	0	0	112.2	F18 T27 F138 M225 E226 Q231 C232 Q233	F18-F229 HydrophobicContact CE2-CD2 4.12Å; F18-F229 HydrophobicContact CZ-CB 4.39Å; F18-F229 HydrophobicContact CZ-CD2 4.28Å; T27-F229 HydrophobicContact CG2-CD2 3.82Å; T27-F229 HydrophobicContact CG2-CE2 3.97Å; F138-F229 HydrophobicContact CE1-CB 4.21Å; F138-F229 HydrophobicContact CZ-CB 4.14Å; M225-F229 VanDerWaalsContact O-CB 3.31Å; M225-F229 WeakPolarHBondContact O-CB 3.28Å; M225-F229 PolarHBondContact O-N 3.39Å; E226-F229 PolarHBondContact O-N 3.02Å; F229-Q231 VanDerWaalsContact C-N 3.33Å; F229-Q231 PolarHBondContact O-N 2.95Å; F229-C232 CarbonylContact O-C 3.59Å; F229-C232 WeakPolarHBondContact O-CA 3.3Å; F229-C232 WeakPolarHBondContact O-CB 3.41Å; F229-C232 PolarHBondContact O-N 3.24Å; F229-Q233 HydrophobicContact CD1-CG 3.86Å; F229-Q233 HydrophobicContact CE1-CG 3.46Å; F229-Q233 VanDerWaalsContact CE1-CG 3.46Å; F229-Q233 HydrophobicContact CZ-CG 3.85Å; F229-Q233 WeakPolarHBondContact O-CG 3.5Å; F229-Q233 PolarHBondContact O-N 3.27Å
230	N	98.8	Very high	98.7	Very high	83 Å²	83	66.9 Å²	66.9	44%	0.444	32%	0.318	S	S	.	.	H	α-helix	trans	-64	-37.9	178.5	-70.8	-23.5	0	0	0	111.8	E226 Q227 V228 C232 Q233 E234	E226-N230 WeakPolarHBondContact O-CB 3.38Å; E226-N230 PolarHBondContact O-N 2.96Å; E226-N230 PolarHBondContact O-ND2 3.04Å; Q227-N230 PolarHBondContact O-N 3.41Å; V228-N230 PolarHBondContact O-N 3.04Å; N230-C232 VanDerWaalsContact C-N 3.3Å; N230-C232 PolarHBondContact O-N 3.42Å; N230-Q233 WeakPolarHBondContact O-CB 3.49Å; N230-Q233 PolarHBondContact O-N 2.99Å; N230-Q233 VanDerWaalsContact O-N 3.09Å; N230-E234 WeakPolarHBondContact O-CG 3.45Å; N230-E234 PolarHBondContact O-N 3.32Å
231	Q	98.7	Very high	98.7	Very high	109 Å²	109	66 Å²	66	51%	0.509	32%	0.321	S	S	.	.	H	α-helix	trans	-60.9	-39.7	171.3	-68.8	171.9	-4.5	0	0	112.1	Q227 V228 F229 Q233 E234 F235	Q227-Q231 WeakPolarHBondContact O-CG 3.45Å; Q227-Q231 PolarHBondContact O-N 3.07Å; V228-Q231 PolarHBondContact O-N 3.47Å; F229-Q231 VanDerWaalsContact C-N 3.33Å; F229-Q231 PolarHBondContact O-N 2.95Å; Q231-Q233 VanDerWaalsContact C-N 3.31Å; Q231-Q233 PolarHBondContact O-N 3.22Å; Q231-E234 PolarHBondContact O-N 3.39Å; Q231-F235 PolarHBondContact O-N 3.01Å; Q231-F235 VanDerWaalsContact O-N 3.09Å
232	C	98.7	Very high	98.8	Very high	8 Å²	8	66.3 Å²	66.3	5%	0.054	32%	0.322	C	S	.	.	H	α-helix	trans	-67.8	-31.6	174.4	-60.8	0	0	0	0	112.4	T27 R30 V228 F229 N230 E236	T27-C232 HydrophobicContact CG2-CB 3.71Å; R30-C232 PolarHBondContact NH2-O 3.1Å; V228-C232 PolarHBondContact O-N 2.66Å; V228-C232 VanDerWaalsContact O-N 3.12Å; V228-C232 PolarHBondContact O-SG 3.26Å; F229-C232 CarbonylContact O-C 3.59Å; F229-C232 WeakPolarHBondContact O-CA 3.3Å; F229-C232 WeakPolarHBondContact O-CB 3.41Å; F229-C232 PolarHBondContact O-N 3.24Å; N230-C232 VanDerWaalsContact C-N 3.3Å; N230-C232 PolarHBondContact O-N 3.42Å; C232-E236 WeakPolarHBondContact O-CB 3.27Å; C232-E236 PolarHBondContact O-N 3.42Å; C232-E236 VanDerWaalsContact O-N 3.15Å
233	Q	98.8	Very high	98.8	Very high	72 Å²	72	64.8 Å²	64.8	34%	0.336	32%	0.315	S	S	.	.	H	α-helix	trans	-70.6	-44.4	174.9	-70.4	-70.3	111.4	0	0	111.4	R30 F229 N230 Q231 F235 E236 E237	R30-Q233 VanDerWaalsContact CZ-OE1 3.27Å; F229-Q233 HydrophobicContact CD1-CG 3.86Å; F229-Q233 HydrophobicContact CE1-CG 3.46Å; F229-Q233 VanDerWaalsContact CE1-CG 3.46Å; F229-Q233 HydrophobicContact CZ-CG 3.85Å; F229-Q233 WeakPolarHBondContact O-CG 3.5Å; F229-Q233 PolarHBondContact O-N 3.27Å; N230-Q233 WeakPolarHBondContact O-CB 3.49Å; N230-Q233 PolarHBondContact O-N 2.99Å; N230-Q233 VanDerWaalsContact O-N 3.09Å; Q231-Q233 VanDerWaalsContact C-N 3.31Å; Q231-Q233 PolarHBondContact O-N 3.22Å; Q233-F235 VanDerWaalsContact C-N 3.31Å; Q233-F235 PolarHBondContact O-N 2.9Å; Q233-E236 PolarHBondContact O-N 3.34Å; Q233-E237 WeakPolarHBondContact O-CB 3.5Å; Q233-E237 PolarHBondContact O-N 2.99Å
234	E	98.8	Very high	98.8	Very high	114 Å²	114	67.5 Å²	67.5	53%	0.533	32%	0.32	S	S	.	.	H	α-helix	trans	-61.2	-39.2	175.8	-71.8	173.7	-167.8	0	0	111.9	N230 Q231 K238	N230-E234 WeakPolarHBondContact O-CG 3.45Å; N230-E234 PolarHBondContact O-N 3.32Å; Q231-E234 PolarHBondContact O-N 3.39Å; E234-K238 WeakPolarHBondContact O-CG 3.3Å; E234-K238 PolarHBondContact O-N 3.11Å
235	F	98.7	Very high	98.8	Very high	42 Å²	42	69.8 Å²	69.8	18%	0.184	33%	0.329	C	S	.	.	H	α-helix	trans	-64	-43.3	174.4	-174.8	-102.5	0	0	0	111.7	I31 Y120 E130 Q231 Q233 K238 R239	I31-F235 HydrophobicContact CG1-CD1 4.49Å; I31-F235 HydrophobicContact CG2-CD1 4.49Å; I31-F235 HydrophobicContact CG2-CE1 3.93Å; Y120-F235 HydrophobicContact CD1-CZ 4.26Å; Y120-F235 AromaticContact CE1-CE1 3.74Å; Y120-F235 HydrophobicContact CE1-CE1 3.74Å; Y120-F235 AromaticContact CE1-CZ 3.76Å; Y120-F235 HydrophobicContact CE1-CZ 3.76Å; E130-F235 HydrophobicContact CG-CE2 4.26Å; E130-F235 HydrophobicContact CG-CZ 4.33Å; Q231-F235 PolarHBondContact O-N 3.01Å; Q231-F235 VanDerWaalsContact O-N 3.09Å; Q233-F235 VanDerWaalsContact C-N 3.31Å; Q233-F235 PolarHBondContact O-N 2.9Å; F235-K238 PolarHBondContact O-N 3.38Å; F235-R239 PolarHBondContact O-N 3.3Å
236	E	98.8	Very high	98.8	Very high	18 Å²	18	69.8 Å²	69.8	8%	0.084	33%	0.329	C	S	.	.	H	α-helix	trans	-67.8	-37.7	177.5	178.5	60.4	-174	0	0	112.5	C232 Q233 K238 R239 L240	C232-E236 WeakPolarHBondContact O-CB 3.27Å; C232-E236 PolarHBondContact O-N 3.42Å; C232-E236 VanDerWaalsContact O-N 3.15Å; Q233-E236 PolarHBondContact O-N 3.34Å; E236-K238 VanDerWaalsContact C-N 3.29Å; E236-K238 PolarHBondContact O-N 2.8Å; E236-R239 WeakPolarHBondContact O-CB 3.46Å; E236-R239 PolarHBondContact O-N 3.41Å; E236-R239 VanDerWaalsContact O-N 3.1Å; E236-R239 IonicContact OE1-CZ 2.79Å; E236-R239 IonicContact OE1-NE 3.17Å; E236-R239 PolarHBondContact OE1-NE 3.26Å; E236-R239 IonicContact OE1-NH2 2.73Å; E236-R239 PolarHBondContact OE1-NH2 2.9Å; E236-R239 IonicContact OE2-CZ 3.72Å; E236-R239 IonicContact OE2-NE 2.69Å; E236-R239 PolarHBondContact OE2-NE 3.27Å; E236-R239 IonicContact OE2-NH2 3.91Å; E236-L240 HydrophobicContact CG-CD1 3.99Å; E236-L240 HydrophobicContact CG-CG 4.18Å; E236-L240 WeakPolarHBondContact O-CG 3.48Å; E236-L240 PolarHBondContact O-N 3Å
237	E	98.8	Very high	98.8	Very high	124 Å²	124	70.2 Å²	70.2	58%	0.579	33%	0.334	S	S	*	.	H	α-helix	trans	-59.3	-40.3	176.7	-177.5	179.4	-169.7	0	0	112	Q233 R239 L240 S241	Q233-E237 WeakPolarHBondContact O-CB 3.5Å; Q233-E237 PolarHBondContact O-N 2.99Å; E237-R239 VanDerWaalsContact C-N 3.33Å; E237-R239 PolarHBondContact O-N 2.97Å; E237-L240 PolarHBondContact O-N 3.38Å; E237-S241 VanDerWaalsContact O-CB 3.32Å; E237-S241 WeakPolarHBondContact O-CB 3.37Å; E237-S241 PolarHBondContact O-N 2.66Å; E237-S241 PolarHBondContact O-OG 3.18Å
238	K	98.8	Very high	98.8	Very high	133 Å²	133	69.1 Å²	69.1	58%	0.578	33%	0.331	S	S	*	.	H	α-helix	trans	-59.4	-45.2	174	-69.2	172.1	-173.3	173.9	0	111.2	E234 F235 E236 F242	E234-K238 WeakPolarHBondContact O-CG 3.3Å; E234-K238 PolarHBondContact O-N 3.11Å; F235-K238 PolarHBondContact O-N 3.38Å; E236-K238 VanDerWaalsContact C-N 3.29Å; E236-K238 PolarHBondContact O-N 2.8Å; K238-F242 WeakPolarHBondContact O-CB 3.42Å; K238-F242 PolarHBondContact O-N 2.68Å
239	R	98.8	Very high	98.8	Very high	17 Å²	17	70.3 Å²	70.3	6%	0.064	34%	0.337	C	S	.	.	H	α-helix	trans	-63.1	-48.6	177.4	-168.9	-170	73.6	83.3	7.6	111.3	W115 F235 E236 E237 S241 F242 L243	W115-R239 HydrophobicContact CH2-CB 3.62Å; W115-R239 HydrophobicContact CH2-CG 3.64Å; W115-R239 HydrophobicContact CZ2-CB 4.21Å; W115-R239 HydrophobicContact CZ3-CB 4.47Å; W115-R239 HydrophobicContact CZ3-CG 3.99Å; F235-R239 PolarHBondContact O-N 3.3Å; E236-R239 WeakPolarHBondContact O-CB 3.46Å; E236-R239 PolarHBondContact O-N 3.41Å; E236-R239 VanDerWaalsContact O-N 3.1Å; E236-R239 IonicContact OE1-CZ 2.79Å; E236-R239 IonicContact OE1-NE 3.17Å; E236-R239 PolarHBondContact OE1-NE 3.26Å; E236-R239 IonicContact OE1-NH2 2.73Å; E236-R239 PolarHBondContact OE1-NH2 2.9Å; E236-R239 IonicContact OE2-CZ 3.72Å; E236-R239 IonicContact OE2-NE 2.69Å; E236-R239 PolarHBondContact OE2-NE 3.27Å; E236-R239 IonicContact OE2-NH2 3.91Å; E237-R239 VanDerWaalsContact C-N 3.33Å; E237-R239 PolarHBondContact O-N 2.97Å; R239-S241 PolarHBondContact O-N 3.45Å; R239-F242 PolarHBondContact O-N 2.83Å; R239-L243 WeakPolarHBondContact O-CG 3.46Å; R239-L243 PolarHBondContact O-N 3.14Å
240	L	98.8	Very high	98.8	Very high	91 Å²	91	68.4 Å²	68.4	48%	0.476	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-43.9	-178.8	-68.1	175.3	0	0	0	111.9	E236 E237 L243 R244	E236-L240 HydrophobicContact CG-CD1 3.99Å; E236-L240 HydrophobicContact CG-CG 4.18Å; E236-L240 WeakPolarHBondContact O-CG 3.48Å; E236-L240 PolarHBondContact O-N 3Å; E237-L240 PolarHBondContact O-N 3.38Å; L240-L243 PolarHBondContact O-N 3.24Å; L240-R244 PolarHBondContact O-N 3.33Å
241	S	98.8	Very high	98.7	Very high	66 Å²	66	69.3 Å²	69.3	46%	0.462	33%	0.33	S	S	.	.	H	α-helix	trans	-64.2	-43.7	176.7	-59.9	0	0	0	0	111.5	E237 R239 R244 E245	E237-S241 VanDerWaalsContact O-CB 3.32Å; E237-S241 WeakPolarHBondContact O-CB 3.37Å; E237-S241 PolarHBondContact O-N 2.66Å; E237-S241 PolarHBondContact O-OG 3.18Å; R239-S241 PolarHBondContact O-N 3.45Å; S241-R244 WeakPolarHBondContact O-CB 3.09Å; S241-R244 PolarHBondContact O-N 3.01Å; S241-E245 PolarHBondContact O-N 3.02Å
242	F	98.9	Very high	98.7	Very high	16 Å²	16	72.2 Å²	72.2	7%	0.07	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-46.9	176	172.7	-105.2	0	0	0	112.3	K111 V112 W115 K238 R239 R244 E245 V246	K111-F242 HydrophobicContact CG-CE2 3.98Å; K111-F242 HydrophobicContact CG-CZ 4.17Å; V112-F242 HydrophobicContact CB-CE1 4.47Å; V112-F242 HydrophobicContact CG1-CE1 4.48Å; V112-F242 HydrophobicContact CG2-CE1 4.2Å; V112-F242 HydrophobicContact CG2-CZ 4.25Å; W115-F242 HydrophobicContact CB-CD1 4.34Å; W115-F242 HydrophobicContact CB-CD2 4.29Å; W115-F242 HydrophobicContact CB-CE1 3.74Å; W115-F242 HydrophobicContact CB-CE2 3.67Å; W115-F242 HydrophobicContact CB-CZ 3.37Å; W115-F242 AromaticContact CD1-CD2 3.54Å; W115-F242 AromaticContact CD1-CE2 3.76Å; W115-F242 AromaticContact CD1-CG 3.76Å; W115-F242 HydrophobicContact CD2-CB 4.45Å; W115-F242 AromaticContact CD2-CD1 3.49Å; W115-F242 HydrophobicContact CD2-CD1 3.49Å; W115-F242 VanDerWaalsContact CD2-CD1 3.49Å; W115-F242 HydrophobicContact CD2-CD2 4.26Å; W115-F242 AromaticContact CD2-CE1 3.72Å; W115-F242 HydrophobicContact CD2-CE1 3.72Å; W115-F242 HydrophobicContact CD2-CE2 4.44Å; W115-F242 AromaticContact CD2-CG 3.79Å; W115-F242 HydrophobicContact CD2-CG 3.79Å; W115-F242 HydrophobicContact CD2-CZ 4.2Å; W115-F242 AromaticContact CE2-CD1 3.9Å; W115-F242 AromaticContact CE2-CG 3.8Å; W115-F242 AromaticContact CE3-CD1 3.71Å; W115-F242 HydrophobicContact CE3-CD1 3.71Å; W115-F242 AromaticContact CE3-CE1 3.83Å; W115-F242 HydrophobicContact CE3-CE1 3.83Å; W115-F242 HydrophobicContact CE3-CG 4.43Å; W115-F242 AromaticContact CG-CD1 3.76Å; W115-F242 HydrophobicContact CG-CD1 3.76Å; W115-F242 AromaticContact CG-CD2 3.77Å; W115-F242 HydrophobicContact CG-CD2 3.77Å; W115-F242 AromaticContact CG-CE1 3.67Å; W115-F242 HydrophobicContact CG-CE1 3.67Å; W115-F242 AromaticContact CG-CE2 3.67Å; W115-F242 HydrophobicContact CG-CE2 3.67Å; W115-F242 AromaticContact CG-CG 3.81Å; W115-F242 HydrophobicContact CG-CG 3.81Å; W115-F242 AromaticContact CG-CZ 3.62Å; W115-F242 HydrophobicContact CG-CZ 3.62Å; W115-F242 HydrophobicContact CZ2-CB 4.32Å; W115-F242 HydrophobicContact CZ2-CD1 4.5Å; W115-F242 HydrophobicContact CZ3-CD1 4.31Å; W115-F242 AromaticContact NE1-CD2 3.9Å; W115-F242 AromaticContact NE1-CG 3.73Å; K238-F242 WeakPolarHBondContact O-CB 3.42Å; K238-F242 PolarHBondContact O-N 2.68Å; R239-F242 PolarHBondContact O-N 2.83Å; F242-R244 VanDerWaalsContact C-N 3.3Å; F242-R244 PolarHBondContact O-N 3.01Å; F242-E245 WeakPolarHBondContact O-CB 3.33Å; F242-E245 PolarHBondContact O-N 3.16Å; F242-E245 VanDerWaalsContact O-N 3.14Å; F242-V246 HydrophobicContact CD1-CG2 4.44Å; F242-V246 HydrophobicContact CD2-CG2 4.27Å; F242-V246 HydrophobicContact CE1-CG2 3.87Å; F242-V246 HydrophobicContact CE2-CG2 3.68Å; F242-V246 HydrophobicContact CZ-CG2 3.44Å; F242-V246 VanDerWaalsContact CZ-CG2 3.44Å; F242-V246 PolarHBondContact O-N 3.36Å
243	L	98.6	Very high	98.7	Very high	29 Å²	29	73.2 Å²	73.2	15%	0.152	34%	0.34	C	S	.	.	H	α-helix	trans	-61.1	-41	177.5	-71.5	-172.5	0	0	0	111.7	L41 R239 L240 E245 V246 L247	L41-L243 HydrophobicContact CD2-CD2 3.53Å; R239-L243 WeakPolarHBondContact O-CG 3.46Å; R239-L243 PolarHBondContact O-N 3.14Å; L240-L243 PolarHBondContact O-N 3.24Å; L243-E245 VanDerWaalsContact C-N 3.3Å; L243-E245 PolarHBondContact O-N 3.25Å; L243-V246 PolarHBondContact O-N 3.08Å; L243-L247 WeakPolarHBondContact O-CB 3.3Å; L243-L247 VanDerWaalsContact O-CG 3.22Å; L243-L247 WeakPolarHBondContact O-CG 3.48Å; L243-L247 PolarHBondContact O-N 3.17Å
244	R	98.8	Very high	98.6	Very high	171 Å²	171	71.6 Å²	71.6	65%	0.645	33%	0.334	S	S	*	.	H	α-helix	trans	-59.6	-42.2	175.1	-179.6	-179.3	174.5	-80.3	-2	111.7	L240 S241 F242 L248	L240-R244 PolarHBondContact O-N 3.33Å; S241-R244 WeakPolarHBondContact O-CB 3.09Å; S241-R244 PolarHBondContact O-N 3.01Å; F242-R244 VanDerWaalsContact C-N 3.3Å; F242-R244 PolarHBondContact O-N 3.01Å; R244-L248 HydrophobicContact CG-CD1 4.47Å; R244-L248 WeakPolarHBondContact O-CG 3.49Å; R244-L248 PolarHBondContact O-N 2.96Å
245	E	98.8	Very high	98.6	Very high	94 Å²	94	68 Å²	68	44%	0.439	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-51.8	176.9	-173.1	-174.1	144.9	0	0	111.4	K111 S241 F242 L243 L247 L248 D249	K111-E245 WeakPolarHBondContact CE-OE1 3.43Å; K111-E245 IonicContact NZ-OE1 2.87Å; K111-E245 PolarHBondContact NZ-OE1 2.61Å; S241-E245 PolarHBondContact O-N 3.02Å; F242-E245 WeakPolarHBondContact O-CB 3.33Å; F242-E245 PolarHBondContact O-N 3.16Å; F242-E245 VanDerWaalsContact O-N 3.14Å; L243-E245 VanDerWaalsContact C-N 3.3Å; L243-E245 PolarHBondContact O-N 3.25Å; E245-L247 VanDerWaalsContact C-N 3.3Å; E245-L247 PolarHBondContact O-N 3.3Å; E245-L248 WeakPolarHBondContact O-CB 3.32Å; E245-L248 PolarHBondContact O-N 3.39Å; E245-D249 PolarHBondContact O-N 2.94Å
246	V	98.8	Very high	98.4	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-40.7	179	173.5	0	0	0	0	111.7	L41 I45 K111 V112 F242 L243 L248 D249 V250	L41-V246 HydrophobicContact CD2-CG1 4.15Å; I45-V246 HydrophobicContact CD1-CG1 4.28Å; K111-V246 HydrophobicContact CD-CG2 4.23Å; K111-V246 HydrophobicContact CG-CG2 4.37Å; V112-V246 HydrophobicContact CG2-CB 4.41Å; V112-V246 HydrophobicContact CG2-CG1 3.72Å; V112-V246 HydrophobicContact CG2-CG2 4.03Å; F242-V246 HydrophobicContact CD1-CG2 4.44Å; F242-V246 HydrophobicContact CD2-CG2 4.27Å; F242-V246 HydrophobicContact CE1-CG2 3.87Å; F242-V246 HydrophobicContact CE2-CG2 3.68Å; F242-V246 HydrophobicContact CZ-CG2 3.44Å; F242-V246 VanDerWaalsContact CZ-CG2 3.44Å; F242-V246 PolarHBondContact O-N 3.36Å; L243-V246 PolarHBondContact O-N 3.08Å; V246-L248 VanDerWaalsContact C-N 3.26Å; V246-L248 PolarHBondContact O-N 2.8Å; V246-D249 PolarHBondContact O-N 2.83Å; V246-V250 HydrophobicContact CG1-CG2 4.24Å; V246-V250 WeakPolarHBondContact O-CG2 3.34Å; V246-V250 PolarHBondContact O-N 3.15Å
247	L	98.8	Very high	98.2	Very high	101 Å²	101	71.9 Å²	71.9	53%	0.529	35%	0.346	S	S	.	.	H	α-helix	trans	-64	-32.4	178.1	-71.8	171.4	0	0	0	112.5	L41 L243 E245 K251	L41-L247 HydrophobicContact CD1-CD2 4.3Å; L243-L247 WeakPolarHBondContact O-CB 3.3Å; L243-L247 VanDerWaalsContact O-CG 3.22Å; L243-L247 WeakPolarHBondContact O-CG 3.48Å; L243-L247 PolarHBondContact O-N 3.17Å; E245-L247 VanDerWaalsContact C-N 3.3Å; E245-L247 PolarHBondContact O-N 3.3Å; L247-K251 PolarHBondContact O-N 3.34Å
248	L	98.7	Very high	97.8	Very high	89 Å²	89	71.9 Å²	71.9	47%	0.466	35%	0.346	S	S	.	.	H	α-helix	trans	-71.9	-38.6	173.8	-70.5	169	0	0	0	111.8	R244 E245 V246 K251 R252	R244-L248 HydrophobicContact CG-CD1 4.47Å; R244-L248 WeakPolarHBondContact O-CG 3.49Å; R244-L248 PolarHBondContact O-N 2.96Å; E245-L248 WeakPolarHBondContact O-CB 3.32Å; E245-L248 PolarHBondContact O-N 3.39Å; V246-L248 VanDerWaalsContact C-N 3.26Å; V246-L248 PolarHBondContact O-N 2.8Å; L248-K251 PolarHBondContact O-N 2.97Å; L248-R252 PolarHBondContact O-N 2.87Å
249	D	98.6	Very high	97.4	Very high	39 Å²	39	68 Å²	68	21%	0.209	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-47.8	174.6	-65.3	-25.9	0	0	0	110.8	D108 K111 E245 V246 K251 R252 H253	D108-D249 WeakPolarHBondContact OD1-CB 3.37Å; K111-D249 IonicContact NZ-OD2 3.5Å; K111-D249 PolarHBondContact NZ-OD2 3.3Å; E245-D249 PolarHBondContact O-N 2.94Å; V246-D249 PolarHBondContact O-N 2.83Å; D249-K251 PolarHBondContact O-N 3.27Å; D249-R252 WeakPolarHBondContact O-CA 3.47Å; D249-R252 WeakPolarHBondContact O-CB 3.46Å; D249-R252 PolarHBondContact O-N 3.03Å; D249-H253 PolarHBondContact O-N 3.35Å; D249-H253 PolarHBondContact O-ND1 2.9Å
250	V	98.8	Very high	97	Very high	21 Å²	21	75.1 Å²	75.1	13%	0.127	37%	0.365	C	S	.	.	H	α-helix	trans	-56.8	-47.1	174	170.8	0	0	0	0	110.8	I45 L104 D108 V246 R252 H253 L254	I45-V250 HydrophobicContact CD1-CG2 4.02Å; I45-V250 HydrophobicContact CG1-CG2 4.23Å; L104-V250 HydrophobicContact CD2-CG1 4.03Å; L104-V250 HydrophobicContact CD2-CG2 4.41Å; D108-V250 HydrophobicContact CB-CG2 3.78Å; V246-V250 HydrophobicContact CG1-CG2 4.24Å; V246-V250 WeakPolarHBondContact O-CG2 3.34Å; V246-V250 PolarHBondContact O-N 3.15Å; V250-R252 PolarHBondContact O-N 3.3Å; V250-H253 PolarHBondContact O-N 3.04Å; V250-L254 HydrophobicContact CG1-CD1 3.69Å; V250-L254 HydrophobicContact CG1-CG 4.2Å; V250-L254 WeakPolarHBondContact O-CB 3.43Å; V250-L254 WeakPolarHBondContact O-CG 3.45Å; V250-L254 PolarHBondContact O-N 3.22Å
251	K	98.2	Very high	96.7	Very high	101 Å²	101	74 Å²	74	44%	0.439	37%	0.365	S	S	.	.	H	α-helix	trans	-54.5	-43.3	174.8	173.1	-93	164.4	-173.8	0	111.5	L247 L248 D249 N255 E258	L247-K251 PolarHBondContact O-N 3.34Å; L248-K251 PolarHBondContact O-N 2.97Å; D249-K251 PolarHBondContact O-N 3.27Å; K251-N255 WeakPolarHBondContact O-CB 3.45Å; K251-N255 PolarHBondContact O-N 2.76Å; K251-E258 IonicContact NZ-OE1 3.56Å; K251-E258 PolarHBondContact NZ-OE1 3.37Å; K251-E258 IonicContact NZ-OE2 3.79Å
252	R	97.9	Very high	96.6	Very high	170 Å²	170	74.2 Å²	74.2	64%	0.642	36%	0.356	S	S	*	.	H	α-helix	trans	-66.9	-46	-178.6	176.2	-177.4	150.4	-174.9	-9.1	110.8	L248 D249 V250 L254 N255	L248-R252 PolarHBondContact O-N 2.87Å; D249-R252 WeakPolarHBondContact O-CA 3.47Å; D249-R252 WeakPolarHBondContact O-CB 3.46Å; D249-R252 PolarHBondContact O-N 3.03Å; V250-R252 PolarHBondContact O-N 3.3Å; R252-L254 VanDerWaalsContact C-N 3.3Å; R252-L254 PolarHBondContact O-N 2.85Å; R252-N255 PolarHBondContact O-N 3.33Å
253	H	98.1	Very high	96.4	Very high	29 Å²	29	75.9 Å²	75.9	13%	0.134	37%	0.374	C	S	.	.	H	α-helix	trans	-65.8	-31.9	179.6	-64.7	149.4	0	0	0	113.1	M100 H103 E107 D108 D249 V250	M100-H253 WeakPolarHBondContact CG-O 3.43Å; H103-H253 HydrophobicContact CB-CB 4.04Å; E107-H253 IonicContact OE2-CE1 3.85Å; E107-H253 IonicContact OE2-NE2 3.8Å; D108-H253 VanDerWaalsContact CG-ND1 3.33Å; D108-H253 IonicContact OD1-CE1 3.63Å; D108-H253 PolarHBondContact OD1-CE1 3.25Å; D108-H253 IonicContact OD1-ND1 2.81Å; D108-H253 PolarHBondContact OD1-ND1 3.38Å; D108-H253 VanDerWaalsContact OD1-ND1 3.14Å; D108-H253 IonicContact OD2-CE1 3.76Å; D108-H253 IonicContact OD2-CG 3.64Å; D108-H253 IonicContact OD2-ND1 3.72Å; D108-H253 PolarHBondContact OD2-ND1 2.82Å; D249-H253 PolarHBondContact O-N 3.35Å; D249-H253 PolarHBondContact O-ND1 2.9Å; V250-H253 PolarHBondContact O-N 3.04Å
254	L	98.1	Very high	96.3	Very high	39 Å²	39	75.9 Å²	75.9	20%	0.204	38%	0.377	C	S	.	.	H	α-helix	trans	-75.9	-21.1	176.4	-67.4	176.2	0	0	0	113.8	R48 M100 L104 V250 R252 L256	R48-L254 HydrophobicContact CG-CD2 4.27Å; R48-L254 VanDerWaalsContact CZ-CD2 3.46Å; R48-L254 VanDerWaalsContact NH1-CD1 3.35Å; M100-L254 WeakPolarHBondContact CE-O 3.46Å; M100-L254 HydrophobicContact CG-CD2 3.98Å; M100-L254 HydrophobicContact SD-CD2 3.49Å; M100-L254 WeakPolarHBondContact SD-CD2 3.37Å; L104-L254 HydrophobicContact CD1-CD2 3.9Å; L104-L254 HydrophobicContact CD2-CD2 4.09Å; L104-L254 HydrophobicContact CD2-CG 4.34Å; L104-L254 HydrophobicContact CG-CD2 4.42Å; V250-L254 HydrophobicContact CG1-CD1 3.69Å; V250-L254 HydrophobicContact CG1-CG 4.2Å; V250-L254 WeakPolarHBondContact O-CB 3.43Å; V250-L254 WeakPolarHBondContact O-CG 3.45Å; V250-L254 PolarHBondContact O-N 3.22Å; R252-L254 VanDerWaalsContact C-N 3.3Å; R252-L254 PolarHBondContact O-N 2.85Å; L254-L256 PolarHBondContact O-N 3.1Å; L254-L256 VanDerWaalsContact O-N 3.16Å
255	N	97.4	Very high	96.3	Very high	38 Å²	38	68.2 Å²	68.2	20%	0.203	35%	0.349	C	S	.	.			trans	-87.3	89.3	-169.8	-169	8.2	0	0	0	113.4	K251 R252 T257 E258	K251-N255 WeakPolarHBondContact O-CB 3.45Å; K251-N255 PolarHBondContact O-N 2.76Å; R252-N255 PolarHBondContact O-N 3.33Å; N255-T257 PolarHBondContact ND2-OG1 2.94Å; N255-T257 PolarHBondContact O-N 3.42Å; N255-T257 WeakPolarHBondContact OD1-CB 3.36Å; N255-T257 PolarHBondContact OD1-N 2.87Å; N255-T257 VanDerWaalsContact OD1-N 3.08Å; N255-T257 PolarHBondContact OD1-OG1 3.4Å; N255-E258 WeakPolarHBondContact ND2-CG 3.48Å; N255-E258 PolarHBondContact ND2-OE1 2.81Å
256	L	95.7	Very high	96.3	Very high	23 Å²	23	68 Å²	68	12%	0.12	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-68.3	-18.8	174.5	-64.2	-179.9	0	0	0	114.2	L96 M100 L254 E258 N259 Y262	L96-L256 HydrophobicContact CB-CD2 4.28Å; M100-L256 HydrophobicContact CE-CD1 3.83Å; M100-L256 HydrophobicContact CE-CD2 3.73Å; M100-L256 HydrophobicContact CE-CG 3.49Å; M100-L256 VanDerWaalsContact CE-CG 3.49Å; L254-L256 PolarHBondContact O-N 3.1Å; L254-L256 VanDerWaalsContact O-N 3.16Å; L256-E258 PolarHBondContact O-N 3.3Å; L256-N259 VanDerWaalsContact O-CB 3.32Å; L256-N259 WeakPolarHBondContact O-CB 3.33Å; L256-N259 PolarHBondContact O-N 3.48Å; L256-Y262 HydrophobicContact CB-CD1 4.48Å; L256-Y262 HydrophobicContact CB-CD2 4.31Å; L256-Y262 HydrophobicContact CB-CG 4.19Å; L256-Y262 HydrophobicContact CD1-CD2 4.25Å; L256-Y262 HydrophobicContact CD1-CE2 4.28Å
257	T	93.8	Very high	96.2	Very high	118 Å²	118	75.7 Å²	75.7	72%	0.724	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-68.5	-25.4	-178.6	68.4	0	0	0	0	112.8	N255 N259	N255-T257 PolarHBondContact ND2-OG1 2.94Å; N255-T257 PolarHBondContact O-N 3.42Å; N255-T257 WeakPolarHBondContact OD1-CB 3.36Å; N255-T257 PolarHBondContact OD1-N 2.87Å; N255-T257 VanDerWaalsContact OD1-N 3.08Å; N255-T257 PolarHBondContact OD1-OG1 3.4Å; T257-N259 VanDerWaalsContact C-N 3.32Å
258	E	91	Very high	96.2	Very high	124 Å²	124	73.4 Å²	73.4	58%	0.579	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-85.9	-6.6	174.2	-71.1	170	-152.4	0	0	111.8	K251 N255 L256	K251-E258 IonicContact NZ-OE1 3.56Å; K251-E258 PolarHBondContact NZ-OE1 3.37Å; K251-E258 IonicContact NZ-OE2 3.79Å; N255-E258 WeakPolarHBondContact ND2-CG 3.48Å; N255-E258 PolarHBondContact ND2-OE1 2.81Å; L256-E258 PolarHBondContact O-N 3.3Å
259	N	89.8	Confident	96.2	Very high	51 Å²	51	70.6 Å²	70.6	27%	0.273	35%	0.348	S	S	.	.			trans	-87.6	114.2	180	-170.1	-32.4	0	0	0	111.1	L256 T257 S261 Y262	L256-N259 VanDerWaalsContact O-CB 3.32Å; L256-N259 WeakPolarHBondContact O-CB 3.33Å; L256-N259 PolarHBondContact O-N 3.48Å; T257-N259 VanDerWaalsContact C-N 3.32Å; N259-S261 PolarHBondContact O-N 3.26Å; N259-S261 VanDerWaalsContact OD1-CB 3.22Å; N259-S261 WeakPolarHBondContact OD1-CB 3.38Å; N259-S261 PolarHBondContact OD1-N 3.22Å; N259-S261 PolarHBondContact OD1-OG 3.48Å; N259-Y262 WeakPolarHBondContact O-CB 3.41Å; N259-Y262 PolarHBondContact O-N 3.31Å; N259-Y262 VanDerWaalsContact O-N 3.09Å
260	Q	90.1	Very high	96.2	Very high	167 Å²	167	74.9 Å²	74.9	78%	0.78	37%	0.367	S	S	*	.	H	α-helix	trans	-61.8	-29.7	-179.3	-64.5	-174.6	4.2	0	0	113.4	Y262 A263 A264	Q260-Y262 VanDerWaalsContact C-N 3.29Å; Q260-Y262 PolarHBondContact O-N 3.03Å; Q260-A263 PolarHBondContact O-N 2.85Å; Q260-A264 PolarHBondContact O-N 2.99Å; Q260-A264 VanDerWaalsContact O-N 3.09Å
261	S	93.6	Very high	96.2	Very high	68 Å²	68	81.1 Å²	81.1	48%	0.476	39%	0.388	S	S	.	.	H	α-helix	trans	-64.8	-35.8	176.8	-58	0	0	0	0	111.3	N259 A264 I265	N259-S261 PolarHBondContact O-N 3.26Å; N259-S261 VanDerWaalsContact OD1-CB 3.22Å; N259-S261 WeakPolarHBondContact OD1-CB 3.38Å; N259-S261 PolarHBondContact OD1-N 3.22Å; N259-S261 PolarHBondContact OD1-OG 3.48Å; S261-A264 WeakPolarHBondContact O-CB 3.35Å; S261-A264 PolarHBondContact O-N 2.86Å; S261-I265 WeakPolarHBondContact O-CG1 3.41Å; S261-I265 PolarHBondContact O-N 2.89Å; S261-I265 VanDerWaalsContact O-N 3.08Å
262	Y	95.9	Very high	96.2	Very high	70 Å²	70	78.8 Å²	78.8	28%	0.275	38%	0.382	S	S	.	.	H	α-helix	trans	-61.4	-48.7	178.4	-172.4	-109.7	0	0	0	111.4	V93 L96 L256 N259 Q260 A264 I265 Y266	V93-Y262 HydrophobicContact CG2-CE2 4.47Å; L96-Y262 HydrophobicContact CD1-CD2 3.77Å; L96-Y262 HydrophobicContact CD1-CG 4.41Å; L256-Y262 HydrophobicContact CB-CD1 4.48Å; L256-Y262 HydrophobicContact CB-CD2 4.31Å; L256-Y262 HydrophobicContact CB-CG 4.19Å; L256-Y262 HydrophobicContact CD1-CD2 4.25Å; L256-Y262 HydrophobicContact CD1-CE2 4.28Å; N259-Y262 WeakPolarHBondContact O-CB 3.41Å; N259-Y262 PolarHBondContact O-N 3.31Å; N259-Y262 VanDerWaalsContact O-N 3.09Å; Q260-Y262 VanDerWaalsContact C-N 3.29Å; Q260-Y262 PolarHBondContact O-N 3.03Å; Y262-A264 VanDerWaalsContact C-N 3.3Å; Y262-A264 PolarHBondContact O-N 3.46Å; Y262-I265 WeakPolarHBondContact O-CB 3.47Å; Y262-I265 PolarHBondContact O-N 3.19Å; Y262-Y266 HydrophobicContact CD1-CE2 4.27Å; Y262-Y266 HydrophobicContact CD2-CE2 4.13Å; Y262-Y266 AromaticContact CE1-CE2 3.8Å; Y262-Y266 HydrophobicContact CE1-CE2 3.8Å; Y262-Y266 AromaticContact CE2-CE2 3.66Å; Y262-Y266 HydrophobicContact CE2-CE2 3.66Å; Y262-Y266 HydrophobicContact CG-CE2 4.41Å; Y262-Y266 AromaticContact CZ-CE2 3.47Å; Y262-Y266 VanDerWaalsContact CZ-CE2 3.47Å; Y262-Y266 AromaticContact CZ-CZ 3.97Å; Y262-Y266 VanDerWaalsContact O-CD2 3.29Å; Y262-Y266 WeakPolarHBondContact O-CD2 3.23Å; Y262-Y266 PolarHBondContact OH-OH 3.17Å
263	A	95.4	Very high	96.2	Very high	52 Å²	52	74.5 Å²	74.5	43%	0.43	37%	0.371	S	S	.	.	H	α-helix	trans	-66	-31.3	175.6	0	0	0	0	0	113	Q260 R267	Q260-A263 PolarHBondContact O-N 2.85Å; A263-R267 WeakPolarHBondContact O-CG 3.44Å; A263-R267 PolarHBondContact O-N 2.89Å
264	A	97.2	Very high	96.3	Very high	28 Å²	28	78 Å²	78	23%	0.231	39%	0.394	C	S	.	.	H	α-helix	trans	-66.3	-36.2	177.1	0	0	0	0	0	112.7	Q260 S261 Y262 Y266 R267 D268	Q260-A264 PolarHBondContact O-N 2.99Å; Q260-A264 VanDerWaalsContact O-N 3.09Å; S261-A264 WeakPolarHBondContact O-CB 3.35Å; S261-A264 PolarHBondContact O-N 2.86Å; Y262-A264 VanDerWaalsContact C-N 3.3Å; Y262-A264 PolarHBondContact O-N 3.46Å; A264-Y266 PolarHBondContact O-N 3.34Å; A264-R267 PolarHBondContact O-N 2.97Å; A264-D268 PolarHBondContact O-N 3.37Å
265	I	98.3	Very high	96.3	Very high	10 Å²	10	79.5 Å²	79.5	5%	0.051	41%	0.413	C	S	.	.	H	α-helix	trans	-55.6	-51.6	178.5	-70.8	165.9	0	0	0	111.2	E89 K92 V93 L96 S261 Y262 D268 L269	E89-I265 HydrophobicContact CB-CG2 4.14Å; E89-I265 HydrophobicContact CG-CG2 3.51Å; K92-I265 HydrophobicContact CB-CD1 3.62Å; K92-I265 HydrophobicContact CB-CG1 3.76Å; K92-I265 HydrophobicContact CB-CG2 4.38Å; K92-I265 HydrophobicContact CD-CG1 3.92Å; V93-I265 HydrophobicContact CG2-CD1 4.26Å; V93-I265 HydrophobicContact CG2-CG2 4.29Å; L96-I265 HydrophobicContact CD1-CD1 3.46Å; L96-I265 VanDerWaalsContact CD1-CD1 3.46Å; L96-I265 HydrophobicContact CG-CD1 4.27Å; S261-I265 WeakPolarHBondContact O-CG1 3.41Å; S261-I265 PolarHBondContact O-N 2.89Å; S261-I265 VanDerWaalsContact O-N 3.08Å; Y262-I265 WeakPolarHBondContact O-CB 3.47Å; Y262-I265 PolarHBondContact O-N 3.19Å; I265-D268 PolarHBondContact O-N 3.24Å; I265-L269 PolarHBondContact O-N 3.06Å
266	Y	97.9	Very high	96.3	Very high	89 Å²	89	79 Å²	79	35%	0.349	41%	0.414	S	S	.	.	H	α-helix	trans	-72.5	-31.9	-176.9	-62.4	-79	0	0	0	113	E89 Y262 A264 L269 E270	E89-Y266 HydrophobicContact CG-CD1 4.41Å; E89-Y266 HydrophobicContact CG-CE1 4.17Å; E89-Y266 VanDerWaalsContact OE1-CE1 3.25Å; E89-Y266 WeakPolarHBondContact OE1-CE1 3.27Å; E89-Y266 PolarHBondContact OE1-OH 3.21Å; Y262-Y266 HydrophobicContact CD1-CE2 4.27Å; Y262-Y266 HydrophobicContact CD2-CE2 4.13Å; Y262-Y266 AromaticContact CE1-CE2 3.8Å; Y262-Y266 HydrophobicContact CE1-CE2 3.8Å; Y262-Y266 AromaticContact CE2-CE2 3.66Å; Y262-Y266 HydrophobicContact CE2-CE2 3.66Å; Y262-Y266 HydrophobicContact CG-CE2 4.41Å; Y262-Y266 AromaticContact CZ-CE2 3.47Å; Y262-Y266 VanDerWaalsContact CZ-CE2 3.47Å; Y262-Y266 AromaticContact CZ-CZ 3.97Å; Y262-Y266 VanDerWaalsContact O-CD2 3.29Å; Y262-Y266 WeakPolarHBondContact O-CD2 3.23Å; Y262-Y266 PolarHBondContact OH-OH 3.17Å; A264-Y266 PolarHBondContact O-N 3.34Å; Y266-L269 PolarHBondContact O-N 3.39Å; Y266-E270 WeakPolarHBondContact O-CB 3.38Å; Y266-E270 PolarHBondContact O-N 3.32Å
267	R	97.8	Very high	96.4	Very high	162 Å²	162	79.1 Å²	79.1	61%	0.611	42%	0.416	S	S	*	.	H	α-helix	trans	-64.5	-40.9	171.6	-72	-174	-61.7	174.1	2.4	112	A263 A264 R271	A263-R267 WeakPolarHBondContact O-CG 3.44Å; A263-R267 PolarHBondContact O-N 2.89Å; A264-R267 PolarHBondContact O-N 2.97Å; R267-R271 WeakPolarHBondContact O-CB 3.23Å; R267-R271 PolarHBondContact O-N 3Å
268	D	98.3	Very high	96.7	Very high	53 Å²	53	76.8 Å²	76.8	28%	0.283	40%	0.403	S	S	.	.	H	α-helix	trans	-64.8	-42.5	175.1	-82.9	-21.8	0	0	0	111.2	K92 A264 I265 R271 V272	K92-D268 IonicContact NZ-OD2 3.7Å; K92-D268 PolarHBondContact NZ-OD2 3.28Å; A264-D268 PolarHBondContact O-N 3.37Å; I265-D268 PolarHBondContact O-N 3.24Å; D268-R271 PolarHBondContact O-N 3.3Å; D268-R271 IonicContact OD1-CZ 3.41Å; D268-R271 IonicContact OD1-NH1 3.84Å; D268-R271 IonicContact OD1-NH2 2.73Å; D268-R271 PolarHBondContact OD1-NH2 3.32Å; D268-V272 WeakPolarHBondContact O-CG2 3.31Å; D268-V272 PolarHBondContact O-N 3.33Å
269	L	98.6	Very high	97	Very high	31 Å²	31	77.3 Å²	77.3	16%	0.162	41%	0.406	C	S	.	.	H	α-helix	trans	-58.5	-51.8	176.3	177.3	61.3	0	0	0	111.3	A85 M86 E89 I265 Y266 R271 V272 I273	A85-L269 HydrophobicContact CB-CD1 3.67Å; M86-L269 HydrophobicContact CG-CD1 4.39Å; E89-L269 HydrophobicContact CB-CD1 4.44Å; E89-L269 HydrophobicContact CB-CD2 4.05Å; E89-L269 HydrophobicContact CG-CD2 3.96Å; I265-L269 PolarHBondContact O-N 3.06Å; Y266-L269 PolarHBondContact O-N 3.39Å; L269-R271 VanDerWaalsContact C-N 3.3Å; L269-R271 PolarHBondContact O-N 2.87Å; L269-V272 PolarHBondContact O-N 3.4Å; L269-I273 HydrophobicContact CD1-CD1 3.72Å; L269-I273 HydrophobicContact CD1-CG1 4.2Å; L269-I273 HydrophobicContact CG-CD1 3.82Å; L269-I273 WeakPolarHBondContact O-CG1 3.41Å; L269-I273 PolarHBondContact O-N 2.84Å
270	E	98.6	Very high	97.4	Very high	129 Å²	129	81.2 Å²	81.2	60%	0.603	42%	0.422	S	S	*	.	H	α-helix	trans	-56.6	-44.3	177.3	-178	-178.7	-172.2	0	0	111.5	Y266 V272 I273 T274	Y266-E270 WeakPolarHBondContact O-CB 3.38Å; Y266-E270 PolarHBondContact O-N 3.32Å; E270-V272 PolarHBondContact O-N 3.42Å; E270-I273 PolarHBondContact O-N 3.02Å; E270-T274 HydrophobicContact CG-CG2 4.28Å; E270-T274 WeakPolarHBondContact O-CB 3.29Å; E270-T274 WeakPolarHBondContact O-CG2 3.45Å; E270-T274 PolarHBondContact O-N 3.24Å; E270-T274 PolarHBondContact O-OG1 3.39Å
271	R	98.6	Very high	97.8	Very high	152 Å²	152	74.1 Å²	74.1	57%	0.574	39%	0.39	S	S	*	.	H	α-helix	trans	-60.6	-43	178.3	-176.7	-172.5	61.7	-165.5	-15.1	112.4	R267 D268 L269 T274 A275	R267-R271 WeakPolarHBondContact O-CB 3.23Å; R267-R271 PolarHBondContact O-N 3Å; D268-R271 PolarHBondContact O-N 3.3Å; D268-R271 IonicContact OD1-CZ 3.41Å; D268-R271 IonicContact OD1-NH1 3.84Å; D268-R271 IonicContact OD1-NH2 2.73Å; D268-R271 PolarHBondContact OD1-NH2 3.32Å; L269-R271 VanDerWaalsContact C-N 3.3Å; L269-R271 PolarHBondContact O-N 2.87Å; R271-T274 WeakPolarHBondContact CA-OG1 3.44Å; R271-T274 PolarHBondContact O-OG1 2.87Å; R271-A275 VanDerWaalsContact O-CB 3.32Å; R271-A275 WeakPolarHBondContact O-CB 3.49Å; R271-A275 PolarHBondContact O-N 3.09Å; R271-A275 VanDerWaalsContact O-N 3.14Å
272	V	98.4	Very high	98	Very high	51 Å²	51	76.9 Å²	76.9	31%	0.309	40%	0.398	S	S	.	.	H	α-helix	trans	-70	-40	-179.7	-178.7	0	0	0	0	110.9	A85 D268 L269 E270 A275	A85-V272 HydrophobicContact CB-CB 3.89Å; A85-V272 HydrophobicContact CB-CG1 3.75Å; D268-V272 WeakPolarHBondContact O-CG2 3.31Å; D268-V272 PolarHBondContact O-N 3.33Å; L269-V272 PolarHBondContact O-N 3.4Å; E270-V272 PolarHBondContact O-N 3.42Å; V272-A275 PolarHBondContact O-N 3.42Å
273	I	98.6	Very high	98.1	Very high	80 Å²	80	81.5 Å²	81.5	41%	0.41	42%	0.42	S	S	.	.	H	α-helix	trans	-63.7	-46.7	177.7	-67.1	170.4	0	0	0	111	A82 L269 E270 A275 A276	A82-I273 HydrophobicContact CB-CG1 4.33Å; L269-I273 HydrophobicContact CD1-CD1 3.72Å; L269-I273 HydrophobicContact CD1-CG1 4.2Å; L269-I273 HydrophobicContact CG-CD1 3.82Å; L269-I273 WeakPolarHBondContact O-CG1 3.41Å; L269-I273 PolarHBondContact O-N 2.84Å; E270-I273 PolarHBondContact O-N 3.02Å; I273-A275 PolarHBondContact O-N 3.11Å; I273-A276 WeakPolarHBondContact O-CB 3.44Å; I273-A276 PolarHBondContact O-N 2.86Å
274	T	98.4	Very high	98.3	Very high	102 Å²	102	84.5 Å²	84.5	63%	0.626	42%	0.42	S	S	*	.	H	α-helix	trans	-70.1	-19.3	-179.5	51.3	0	0	0	0	113.7	E270 R271 A276	E270-T274 HydrophobicContact CG-CG2 4.28Å; E270-T274 WeakPolarHBondContact O-CB 3.29Å; E270-T274 WeakPolarHBondContact O-CG2 3.45Å; E270-T274 PolarHBondContact O-N 3.24Å; E270-T274 PolarHBondContact O-OG1 3.39Å; R271-T274 WeakPolarHBondContact CA-OG1 3.44Å; R271-T274 PolarHBondContact O-OG1 2.87Å; T274-A276 VanDerWaalsContact C-N 3.31Å
275	A	98.3	Very high	98.3	Very high	72 Å²	72	87.1 Å²	87.1	60%	0.595	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-8.9	174	0	0	0	0	0	113.7	R271 V272 I273 S277	R271-A275 VanDerWaalsContact O-CB 3.32Å; R271-A275 WeakPolarHBondContact O-CB 3.49Å; R271-A275 PolarHBondContact O-N 3.09Å; R271-A275 VanDerWaalsContact O-N 3.14Å; V272-A275 PolarHBondContact O-N 3.42Å; I273-A275 PolarHBondContact O-N 3.11Å; A275-S277 PolarHBondContact O-N 2.84Å
276	A	98.5	Very high	98.3	Very high	28 Å²	28	87.7 Å²	87.7	23%	0.231	44%	0.435	C	S	.	.			trans	-65.5	129.9	176.3	0	0	0	0	0	111.1	V79 A82 I273 T274	V79-A276 HydrophobicContact CG2-CB 4.3Å; A82-A276 HydrophobicContact CB-CB 3.97Å; I273-A276 WeakPolarHBondContact O-CB 3.44Å; I273-A276 PolarHBondContact O-N 2.86Å; T274-A276 VanDerWaalsContact C-N 3.31Å
277	S	98.4	Very high	98.3	Very high	24 Å²	24	86.2 Å²	86.2	17%	0.168	44%	0.438	C	S	.	.			trans	-120.9	105.1	178.3	176.8	0	0	0	0	110.6	S78 A275 E279 E280 D281	S78-S277 PolarHBondContact OG-N 3.33Å; S78-S277 PolarHBondContact OG-O 3.48Å; A275-S277 PolarHBondContact O-N 2.84Å; S277-E279 PolarHBondContact O-N 3.33Å; S277-E279 PolarHBondContact OG-N 2.71Å; S277-E279 PolarHBondContact OG-OE2 3.16Å; S277-E280 PolarHBondContact O-N 3.15Å; S277-E280 PolarHBondContact OG-N 3.06Å; S277-D281 PolarHBondContact O-N 3.49Å; S277-D281 VanDerWaalsContact O-N 3.13Å
278	P	98.3	Very high	98.2	Very high	69 Å²	69	82.2 Å²	82.2	45%	0.448	43%	0.428	S	S	.	.	H	α-helix	trans	-56	-32.8	170.1	-25.7	35.7	0	0	0	112.5	D281 L282	P278-D281 PolarHBondContact O-N 3.21Å; P278-L282 VanDerWaalsContact O-CB 3.31Å; P278-L282 WeakPolarHBondContact O-CB 3.25Å; P278-L282 WeakPolarHBondContact O-CG 3.25Å; P278-L282 PolarHBondContact O-N 3.46Å
279	E	98.4	Very high	98.1	Very high	135 Å²	135	85 Å²	85	63%	0.631	44%	0.439	S	S	*	.	H	α-helix	trans	-66.1	-43.7	179.3	-59.8	73.1	-158	0	0	111.9	S277 K283	S277-E279 PolarHBondContact O-N 3.33Å; S277-E279 PolarHBondContact OG-N 2.71Å; S277-E279 PolarHBondContact OG-OE2 3.16Å; E279-K283 VanDerWaalsContact O-CB 3.23Å; E279-K283 WeakPolarHBondContact O-CB 3.5Å; E279-K283 PolarHBondContact O-N 3.06Å
280	E	97.9	Very high	98	Very high	133 Å²	133	84.5 Å²	84.5	62%	0.621	44%	0.441	S	S	*	.	H	α-helix	trans	-64.8	-43.1	175.5	-70.1	-171.1	160.4	0	0	111.4	S277 K283 W284	S277-E280 PolarHBondContact O-N 3.15Å; S277-E280 PolarHBondContact OG-N 3.06Å; E280-K283 PolarHBondContact O-N 3.13Å; E280-W284 WeakPolarHBondContact O-CB 3.29Å; E280-W284 PolarHBondContact O-N 3.23Å
281	D	98.5	Very high	97.9	Very high	19 Å²	19	85 Å²	85	10%	0.102	46%	0.456	C	S	.	.	H	α-helix	trans	-64.7	-43.6	179.5	-71.1	7.9	0	0	0	111.8	S78 V79 S277 P278 W284 F285	S78-D281 WeakPolarHBondContact CB-OD1 3.44Å; S78-D281 VanDerWaalsContact N-CG 3.34Å; S78-D281 PolarHBondContact N-OD1 3.48Å; S78-D281 PolarHBondContact N-OD2 2.97Å; S78-D281 VanDerWaalsContact N-OD2 3.1Å; S78-D281 VanDerWaalsContact OG-CG 3.22Å; S78-D281 PolarHBondContact OG-OD1 3.38Å; S78-D281 PolarHBondContact OG-OD2 2.81Å; V79-D281 PolarHBondContact N-OD2 3.34Å; V79-D281 VanDerWaalsContact N-OD2 3.12Å; S277-D281 PolarHBondContact O-N 3.49Å; S277-D281 VanDerWaalsContact O-N 3.13Å; P278-D281 PolarHBondContact O-N 3.21Å; D281-W284 PolarHBondContact O-N 3.27Å; D281-F285 PolarHBondContact O-N 2.98Å
282	L	98.4	Very high	97.8	Very high	125 Å²	125	80.6 Å²	80.6	65%	0.654	46%	0.457	S	S	*	.	H	α-helix	trans	-65.5	-40.6	175.8	-73.4	172.9	0	0	0	111.9	P278 F285 G286	P278-L282 VanDerWaalsContact O-CB 3.31Å; P278-L282 WeakPolarHBondContact O-CB 3.25Å; P278-L282 WeakPolarHBondContact O-CG 3.25Å; P278-L282 PolarHBondContact O-N 3.46Å; L282-F285 PolarHBondContact O-N 3.33Å; L282-G286 PolarHBondContact O-N 3.36Å
283	K	98.1	Very high	97.7	Very high	167 Å²	167	83 Å²	83	73%	0.726	47%	0.466	S	S	*	.	H	α-helix	trans	-63.5	-44.8	176.4	-178	-178.2	178	-174.8	0	111.1	E279 E280 G286 S287	E279-K283 VanDerWaalsContact O-CB 3.23Å; E279-K283 WeakPolarHBondContact O-CB 3.5Å; E279-K283 PolarHBondContact O-N 3.06Å; E280-K283 PolarHBondContact O-N 3.13Å; K283-G286 PolarHBondContact O-N 3.02Å; K283-S287 PolarHBondContact O-N 3.19Å; K283-S287 VanDerWaalsContact O-N 3.12Å
284	W	98.1	Very high	97.6	Very high	115 Å²	115	86.9 Å²	86.9	44%	0.436	48%	0.482	S	S	.	.	H	α-helix	trans	-57.5	-51.2	174.4	175.6	87.7	0	0	0	110.6	Y76 E280 D281 G286 S287 I288	Y76-W284 HydrophobicContact CD1-CZ3 4.27Å; Y76-W284 AromaticContact CD2-CE3 3.69Å; Y76-W284 HydrophobicContact CD2-CE3 3.69Å; Y76-W284 HydrophobicContact CD2-CH2 4.34Å; Y76-W284 AromaticContact CD2-CZ3 3.41Å; Y76-W284 HydrophobicContact CD2-CZ3 3.41Å; Y76-W284 VanDerWaalsContact CD2-CZ3 3.41Å; Y76-W284 HydrophobicContact CE1-CZ3 4.36Å; Y76-W284 AromaticContact CE2-CE3 3.66Å; Y76-W284 HydrophobicContact CE2-CE3 3.66Å; Y76-W284 AromaticContact CE2-CZ3 3.53Å; Y76-W284 HydrophobicContact CE2-CZ3 3.53Å; Y76-W284 HydrophobicContact CG-CH2 4.41Å; Y76-W284 AromaticContact CG-CZ3 3.82Å; Y76-W284 HydrophobicContact CG-CZ3 3.82Å; E280-W284 WeakPolarHBondContact O-CB 3.29Å; E280-W284 PolarHBondContact O-N 3.23Å; D281-W284 PolarHBondContact O-N 3.27Å; W284-G286 PolarHBondContact O-N 2.95Å; W284-S287 PolarHBondContact O-N 3.43Å; W284-S287 PolarHBondContact O-OG 2.91Å; W284-I288 HydrophobicContact CD2-CG1 4.33Å; W284-I288 HydrophobicContact CZ2-CG1 4.2Å; W284-I288 WeakPolarHBondContact O-CG1 3.32Å; W284-I288 PolarHBondContact O-N 3.36Å; W284-I288 VanDerWaalsContact O-N 3.1Å
285	F	98.1	Very high	97.4	Very high	83 Å²	83	86.7 Å²	86.7	36%	0.364	48%	0.475	S	S	.	.	H	α-helix	trans	-60.4	-44.5	-179.6	-173.2	-93.6	0	0	0	112.2	Y76 D281 L282 S287 I288 H289 G290	Y76-F285 HydrophobicContact CE1-CD2 4.21Å; Y76-F285 HydrophobicContact CE2-CB 4.43Å; Y76-F285 HydrophobicContact CE2-CD2 4.36Å; Y76-F285 AromaticContact CZ-CD2 3.63Å; Y76-F285 WeakPolarHBondContact OH-CD2 3.38Å; Y76-F285 WeakPolarHBondContact OH-CG 3.48Å; D281-F285 PolarHBondContact O-N 2.98Å; L282-F285 PolarHBondContact O-N 3.33Å; F285-S287 PolarHBondContact O-N 3.18Å; F285-I288 PolarHBondContact O-N 2.99Å; F285-H289 HydrophobicContact CD1-CB 4.36Å; F285-H289 HydrophobicContact CD2-CB 4.17Å; F285-H289 AromaticContact CD2-CD2 3.69Å; F285-H289 HydrophobicContact CE1-CB 4Å; F285-H289 HydrophobicContact CE2-CB 3.82Å; F285-H289 AromaticContact CE2-CD2 3.63Å; F285-H289 AromaticContact CE2-CG 3.95Å; F285-H289 HydrophobicContact CG-CB 4.45Å; F285-H289 HydrophobicContact CZ-CB 3.72Å; F285-H289 PolarHBondContact O-N 3.36Å; F285-G290 PolarHBondContact O-N 3.31Å
286	G	97.8	Very high	97.2	Very high	23 Å²	23	89.4 Å²	89.4	24%	0.237	48%	0.48	C	S	.	.	H	α-helix	trans	-59	-31.6	176.2	0	0	0	0	0	113.6	L282 K283 W284 G290 G292	L282-G286 PolarHBondContact O-N 3.36Å; K283-G286 PolarHBondContact O-N 3.02Å; W284-G286 PolarHBondContact O-N 2.95Å; G286-G290 CarbonylContact O-C 3.17Å; G286-G290 WeakPolarHBondContact O-CA 3.31Å; G286-G290 PolarHBondContact O-N 2.94Å; G286-G292 WeakPolarHBondContact O-CA 3.47Å; G286-G292 PolarHBondContact O-N 3.08Å
287	S	97.1	Very high	97	Very high	57 Å²	57	96.9 Å²	96.9	40%	0.399	50%	0.502	S	S	.	.	H	α-helix	trans	-78.9	-33.5	177.6	75	0	0	0	0	114	K283 W284 F285 M293	K283-S287 PolarHBondContact O-N 3.19Å; K283-S287 VanDerWaalsContact O-N 3.12Å; W284-S287 PolarHBondContact O-N 3.43Å; W284-S287 PolarHBondContact O-OG 2.91Å; F285-S287 PolarHBondContact O-N 3.18Å; S287-M293 WeakPolarHBondContact O-CG 3.41Å
288	I	96.9	Very high	96.7	Very high	78 Å²	78	101.4 Å²	101.4	40%	0.4	53%	0.531	S	S	.	.	H	α-helix	trans	-97.2	-30.5	-173.4	-57.6	-58.5	0	0	0	112.8	W284 F285 M293	W284-I288 HydrophobicContact CD2-CG1 4.33Å; W284-I288 HydrophobicContact CZ2-CG1 4.2Å; W284-I288 WeakPolarHBondContact O-CG1 3.32Å; W284-I288 PolarHBondContact O-N 3.36Å; W284-I288 VanDerWaalsContact O-N 3.1Å; F285-I288 PolarHBondContact O-N 2.99Å; I288-M293 VanDerWaalsContact O-CE 3.32Å; I288-M293 WeakPolarHBondContact O-CE 2.99Å; I288-M293 WeakPolarHBondContact O-CG 3.35Å
289	H	96.4	Very high	96.4	Very high	112 Å²	112	106.5 Å²	106.5	52%	0.519	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-5.9	-173.9	-64.2	-60.9	0	0	0	113.7	F285 M293	F285-H289 HydrophobicContact CD1-CB 4.36Å; F285-H289 HydrophobicContact CD2-CB 4.17Å; F285-H289 AromaticContact CD2-CD2 3.69Å; F285-H289 HydrophobicContact CE1-CB 4Å; F285-H289 HydrophobicContact CE2-CB 3.82Å; F285-H289 AromaticContact CE2-CD2 3.63Å; F285-H289 AromaticContact CE2-CG 3.95Å; F285-H289 HydrophobicContact CG-CB 4.45Å; F285-H289 HydrophobicContact CZ-CB 3.72Å; F285-H289 PolarHBondContact O-N 3.36Å; H289-M293 VanDerWaalsContact CA-SD 3.6Å
290	G	95.7	Very high	95.9	Very high	20 Å²	20	108.9 Å²	108.9	21%	0.206	56%	0.555	C	S	.	*	S	Bend	trans	-115.9	-161.1	-173.1	0	0	0	0	0	114.7	F285 G286 G292 M293	F285-G290 PolarHBondContact O-N 3.31Å; G286-G290 CarbonylContact O-C 3.17Å; G286-G290 WeakPolarHBondContact O-CA 3.31Å; G286-G290 PolarHBondContact O-N 2.94Å; G290-G292 PolarHBondContact O-N 3.34Å; G290-M293 WeakPolarHBondContact O-CB 3.33Å; G290-M293 WeakPolarHBondContact O-CG 3.24Å; G290-M293 PolarHBondContact O-N 3.45Å
291	P	97.3	Very high	95.4	Very high	141 Å²	141	109.9 Å²	109.9	92%	0.916	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-14	-178.7	-25.6	35.4	0	0	0	115.5	M293	P291-M293 VanDerWaalsContact C-N 3.28Å
292	G	95.8	Very high	94.8	Very high	58 Å²	58	116.8 Å²	116.8	60%	0.598	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-10.1	175.9	0	0	0	0	0	114.1	G286 G290	G286-G292 WeakPolarHBondContact O-CA 3.47Å; G286-G292 PolarHBondContact O-N 3.08Å; G290-G292 PolarHBondContact O-N 3.34Å
293	M	97.1	Very high	93.8	Very high	103 Å²	103	120 Å²	120	51%	0.507	60%	0.596	S	S	.	*	S	Bend	trans	-65	142.2	175.4	-66.4	179.2	79.7	0	0	111.2	S287 I288 H289 G290 P291 M295	S287-M293 WeakPolarHBondContact O-CG 3.41Å; I288-M293 VanDerWaalsContact O-CE 3.32Å; I288-M293 WeakPolarHBondContact O-CE 2.99Å; I288-M293 WeakPolarHBondContact O-CG 3.35Å; H289-M293 VanDerWaalsContact CA-SD 3.6Å; G290-M293 WeakPolarHBondContact O-CB 3.33Å; G290-M293 WeakPolarHBondContact O-CG 3.24Å; G290-M293 PolarHBondContact O-N 3.45Å; P291-M293 VanDerWaalsContact C-N 3.28Å; M293-M295 PolarHBondContact O-N 3.18Å
294	H	95.4	Very high	92.9	Very high	161 Å²	161	115 Å²	115	75%	0.745	58%	0.577	S	S	*	*			trans	-64.4	130.3	175.2	176.8	-97.8	0	0	0	111.3	N296	H294-N296 PolarHBondContact CE1-OD1 3.09Å
295	M	95.6	Very high	91.6	Very high	97 Å²	97	113.9 Å²	113.9	48%	0.478	59%	0.585	S	S	.	*			trans	-120.5	123.6	175.7	-179.2	57.2	-178.5	0	0	110.9	M293 W297	M293-M295 PolarHBondContact O-N 3.18Å; M295-W297 VanDerWaalsContact C-N 3.32Å; M295-W297 HydrophobicContact CB-CD2 4.32Å; M295-W297 HydrophobicContact CB-CZ2 4.02Å; M295-W297 HydrophobicContact CE-CE3 4.01Å; M295-W297 HydrophobicContact CE-CZ3 4.15Å; M295-W297 HydrophobicContact CG-CD2 3.51Å; M295-W297 VanDerWaalsContact CG-CE2 3.45Å; M295-W297 HydrophobicContact CG-CE3 3.78Å; M295-W297 HydrophobicContact CG-CG 4.05Å; M295-W297 HydrophobicContact CG-CH2 3.94Å; M295-W297 HydrophobicContact CG-CZ2 3.69Å; M295-W297 HydrophobicContact CG-CZ3 3.98Å; M295-W297 PolarHBondContact O-N 3.47Å; M295-W297 VanDerWaalsContact O-N 3.09Å
296	N	93.6	Very high	90.2	Very high	129 Å²	129	116.8 Å²	116.8	69%	0.69	60%	0.604	S	S	*	*			trans	-80.9	82.1	167.2	-74.1	-44.6	0	0	0	108.9	H294	H294-N296 PolarHBondContact CE1-OD1 3.09Å
297	W	93.8	Very high	88.6	Confident	186 Å²	186	120.7 Å²	120.7	71%	0.705	62%	0.619	S	S	*	*			trans	-58.2	137.9	176	-63.3	108.1	0	0	0	110.5	M295 K299	M295-W297 VanDerWaalsContact C-N 3.32Å; M295-W297 HydrophobicContact CB-CD2 4.32Å; M295-W297 HydrophobicContact CB-CZ2 4.02Å; M295-W297 HydrophobicContact CE-CE3 4.01Å; M295-W297 HydrophobicContact CE-CZ3 4.15Å; M295-W297 HydrophobicContact CG-CD2 3.51Å; M295-W297 VanDerWaalsContact CG-CE2 3.45Å; M295-W297 HydrophobicContact CG-CE3 3.78Å; M295-W297 HydrophobicContact CG-CG 4.05Å; M295-W297 HydrophobicContact CG-CH2 3.94Å; M295-W297 HydrophobicContact CG-CZ2 3.69Å; M295-W297 HydrophobicContact CG-CZ3 3.98Å; M295-W297 PolarHBondContact O-N 3.47Å; M295-W297 VanDerWaalsContact O-N 3.09Å; W297-K299 PolarHBondContact O-N 3.46Å
298	P	92.8	Very high	86.9	Confident	119 Å²	119	125.3 Å²	125.3	77%	0.773	64%	0.638	S	S	*	*			trans	-53.9	126.3	178.3	-26.4	34.6	0	0	0	111.1
299	K	91.3	Very high	84.9	Confident	175 Å²	175	126.4 Å²	126.4	76%	0.761	64%	0.641	S	S	*	*			trans	-118.8	163.6	172.4	-68.4	178.3	-174.7	177	0	108.2	W297 E301	W297-K299 PolarHBondContact O-N 3.46Å; K299-E301 PolarHBondContact O-N 2.91Å
300	F	88.1	Confident	82.6	Confident	186 Å²	186	126.3 Å²	126.3	82%	0.816	65%	0.648	S	S	*	*			trans	-59.9	123.4	171.7	179.9	-98	0	0	0	109.3	E302	F300-E302 HydrophobicContact CD1-CG 4.38Å; F300-E302 HydrophobicContact CE1-CG 3.73Å
301	E	87.7	Confident	80.6	Confident	154 Å²	154	132.9 Å²	132.9	72%	0.72	68%	0.677	S	S	*	*			trans	-104.1	121.8	174.8	-69.1	176.4	-159.2	0	0	107.9	K299	K299-E301 PolarHBondContact O-N 2.91Å
302	E	85.3	Confident	78.1	Confident	164 Å²	164	130.3 Å²	130.3	77%	0.766	66%	0.662	S	S	*	*			trans	-66.8	136.9	175.1	-82.5	-177	178.8	0	0	110.3	F300 N304	F300-E302 HydrophobicContact CD1-CG 4.38Å; F300-E302 HydrophobicContact CE1-CG 3.73Å; E302-N304 PolarHBondContact O-N 3.24Å
303	Y	79	Confident	75.4	Confident	191 Å²	191	137.1 Å²	137.1	75%	0.749	68%	0.675	S	S	*	*			trans	-60.4	112.5	174.7	174.9	-101.9	0	0	0	109.5	P305	Y303-P305 HydrophobicContact CE1-CB 4.11Å
304	N	78.6	Confident	73	Confident	62 Å²	62	144.1 Å²	144.1	33%	0.332	70%	0.696	S	S	.	*			trans	-108.1	110.6	177.1	-177.5	-10.5	0	0	0	109.2	E302 D306 L307	E302-N304 PolarHBondContact O-N 3.24Å; N304-D306 PolarHBondContact O-N 2.9Å; N304-D306 WeakPolarHBondContact OD1-CB 3.24Å; N304-D306 PolarHBondContact OD1-N 2.74Å; N304-L307 HydrophobicContact CB-CB 4.09Å; N304-L307 HydrophobicContact CB-CD1 3.83Å; N304-L307 HydrophobicContact CB-CG 4.22Å; N304-L307 PolarHBondContact O-N 3.35Å; N304-L307 VanDerWaalsContact O-N 3.1Å
305	P	70	Confident	70.3	Confident	92 Å²	92	145.3 Å²	145.3	60%	0.597	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-16.4	-178.7	26.2	-32.6	0	0	0	113.9	Y303	Y303-P305 HydrophobicContact CE1-CB 4.11Å
306	D	69.9	Low	67.7	Low	144 Å²	144	150.2 Å²	150.2	77%	0.77	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-16.6	175.7	-60.9	-37.1	0	0	0	112.7	N304 I308	N304-D306 PolarHBondContact O-N 2.9Å; N304-D306 WeakPolarHBondContact OD1-CB 3.24Å; N304-D306 PolarHBondContact OD1-N 2.74Å; D306-I308 PolarHBondContact O-N 3.09Å
307	L	64.4	Low	65	Low	105 Å²	105	149.3 Å²	149.3	55%	0.55	73%	0.725	S	S	.	*	S	Bend	trans	-80.8	97.3	166.2	-83.8	164.7	0	0	0	107.3	N304 H309	N304-L307 HydrophobicContact CB-CB 4.09Å; N304-L307 HydrophobicContact CB-CD1 3.83Å; N304-L307 HydrophobicContact CB-CG 4.22Å; N304-L307 PolarHBondContact O-N 3.35Å; N304-L307 VanDerWaalsContact O-N 3.1Å; L307-H309 PolarHBondContact O-N 3.48Å
308	I	60.1	Low	62.3	Low	155 Å²	155	150.5 Å²	150.5	80%	0.795	74%	0.735	S	S	*	*			trans	-61.5	91.6	168	-57	174.4	0	0	0	106.6	D306 T310	D306-I308 PolarHBondContact O-N 3.09Å; I308-T310 VanDerWaalsContact C-N 3.31Å; I308-T310 PolarHBondContact O-N 2.82Å
309	H	55.7	Low	59.7	Low	101 Å²	101	154.3 Å²	154.3	47%	0.468	74%	0.739	S	S	.	*			trans	-64.2	100.3	168.5	-73.1	-77.7	0	0	0	106.5	L307 I311	L307-H309 PolarHBondContact O-N 3.48Å; H309-I311 HydrophobicContact CB-CD1 4.32Å; H309-I311 HydrophobicContact CB-CG1 3.8Å; H309-I311 PolarHBondContact O-N 3.19Å
310	T	47.9	Very low	57	Low	109 Å²	109	154.3 Å²	154.3	67%	0.669	74%	0.741	S	S	*	*			trans	-64.9	76.8	158.2	-50.1	0	0	0	0	106.8	I308 S312	I308-T310 VanDerWaalsContact C-N 3.31Å; I308-T310 PolarHBondContact O-N 2.82Å; T310-S312 PolarHBondContact O-N 3.12Å
311	I	53.1	Low	54.6	Low	159 Å²	159	151.6 Å²	151.6	82%	0.815	74%	0.735	S	S	*	*			trans	-72.9	63.2	161.5	-51.3	-179.6	0	0	0	105.8	H309	H309-I311 HydrophobicContact CB-CD1 4.32Å; H309-I311 HydrophobicContact CB-CG1 3.8Å; H309-I311 PolarHBondContact O-N 3.19Å
312	S	44.2	Very low	52	Low	87 Å²	87	151.5 Å²	151.5	61%	0.608	74%	0.74	S	S	*	*			trans	-122.6	112.1	169.4	-64.4	0	0	0	0	106.4	T310	T310-S312 PolarHBondContact O-N 3.12Å
313	K	41.1	Very low	49.6	Very low	200 Å²	200	152.5 Å²	152.5	87%	0.87	75%	0.745	S	S	*	*			trans	26	104.3	153.8	-69.6	175.1	176.2	174.3	0	114.9	E315	K313-E315 PolarHBondContact O-N 2.79Å
314	R	44.9	Very low	47.4	Very low	250 Å²	250	149.8 Å²	149.8	94%	0.943	75%	0.748	S	S	*	*			trans	-6	94.1	151.4	-161.9	179.2	-165.9	177.4	4.3	112	K316	R314-K316 PolarHBondContact O-N 3.1Å; R314-K316 VanDerWaalsContact O-N 3.13Å
315	E	39.4	Very low	45.1	Very low	187 Å²	187	155.3 Å²	155.3	87%	0.874	77%	0.774	S	S	*	*			trans	-61.7	117.8	167.9	-96.7	-174.3	145.6	0	0	106.7	K313 S317	K313-E315 PolarHBondContact O-N 2.79Å; E315-S317 PolarHBondContact O-N 3.43Å
316	K	41.4	Very low	43.3	Very low	199 Å²	199	159.2 Å²	159.2	87%	0.865	79%	0.788	S	S	*	*			trans	-59.8	107.3	161.1	-80.6	179.8	172.9	-178.1	0	106	R314 K318	R314-K316 PolarHBondContact O-N 3.1Å; R314-K316 VanDerWaalsContact O-N 3.13Å; K316-K318 PolarHBondContact O-N 2.81Å; K316-K318 VanDerWaalsContact O-N 3.15Å
317	S	37.3	Very low	41.5	Very low	111 Å²	111	157.7 Å²	157.7	78%	0.776	79%	0.785	S	S	*	*			trans	-51.4	121.9	154.5	33	0	0	0	0	107.1	E315 K319	E315-S317 PolarHBondContact O-N 3.43Å; S317-K319 VanDerWaalsContact C-N 3.34Å; S317-K319 PolarHBondContact O-N 3.32Å
318	K	36.6	Very low	40	Very low	211 Å²	211	160.8 Å²	160.8	92%	0.917	80%	0.802	S	S	*	*			trans	-55.1	98	173.2	-84.4	175.6	172	174.2	0	108.3	K316	K316-K318 PolarHBondContact O-N 2.81Å; K316-K318 VanDerWaalsContact O-N 3.15Å
319	K	37.3	Very low	38.7	Very low	199 Å²	199	160.2 Å²	160.2	87%	0.865	80%	0.799	S	S	*	*			trans	-72.7	122.6	146.3	-94.7	-174.7	172	-174.6	0	106.3	S317 N321	S317-K319 VanDerWaalsContact C-N 3.34Å; S317-K319 PolarHBondContact O-N 3.32Å; K319-N321 PolarHBondContact O-N 3.47Å
320	H	35.6	Very low	37.6	Very low	174 Å²	174	165.4 Å²	165.4	81%	0.806	82%	0.82	S	S	*	*			trans	-56.5	128.2	162.2	-160.7	-34.4	0	0	0	107.7
321	N	38.2	Very low	36.7	Very low	129 Å²	129	166 Å²	166	69%	0.69	82%	0.824	S	S	*	*	S	Bend	trans	26.4	110.3	173	-86.6	8	0	0	0	118.1	K319	K319-N321 PolarHBondContact O-N 3.47Å
322	D	33	Very low	36	Very low	153 Å²	153	164.5 Å²	164.5	82%	0.818	82%	0.824	S	S	*	*				-166.9	147.6	101.8	-91.3	-21.1	0	0	0	110.2
323	E	34	Very low	35.3	Very low	185 Å²	185	163.7 Å²	163.7	86%	0.864	83%	0.83	S	S	*	*			trans	-52	149.5	-179.5	-74.4	173.6	127	0	0	113.1
324	V	32.8	Very low	34.8	Very low	133 Å²	133	159.7 Å²	159.7	81%	0.806	83%	0.827	S	S	*	*				176	122.9	116.6	169	0	0	0	0	108.3
325	M	30.6	Very low	34	Very low	179 Å²	179	155.4 Å²	155.4	88%	0.882	82%	0.823	S	S	*	*			trans	-76	139.4	169.5	-77.1	-156.5	178.7	0	0	110.9
326	L	31.2	Very low	33.5	Very low	173 Å²	173	151.5 Å²	151.5	91%	0.906	81%	0.812	S	S	*	*			trans	-112.7	113.9	163.8	-92.7	155	0	0	0	109
327	T	32.7	Very low	32.9	Very low	113 Å²	113	151 Å²	151	69%	0.693	81%	0.812	S	S	*	*			trans	-83.4	134.7	175.8	43.2	0	0	0	0	111.7
328	N	32.7	Very low	32.4	Very low	170 Å²	170	149.7 Å²	149.7	91%	0.909	81%	0.808	S	S	*	*			trans	-69	137.9	163	-79.9	-16.6	0	0	0	110.4
329	I	33.4	Very low	32.2	Very low	142 Å²	142	149 Å²	149	73%	0.728	81%	0.808	S	S	*	*			trans	-119.1	127.1	166.8	-66.5	174.8	0	0	0	109.9
330	K	31.5	Very low	31.6	Very low	210 Å²	210	147 Å²	147	91%	0.913	81%	0.807	S	S	*	*			trans	-103.6	133.5	145.9	-77.3	-177.2	176.2	-179.4	0	107.1
331	T	29.8	Very low	31.5	Very low	122 Å²	122	149.9 Å²	149.9	75%	0.748	81%	0.811	S	S	*	*			trans	-82.1	176.6	-179.9	12.7	0	0	0	0	113.1
332	P	39.5	Very low	31	Very low	127 Å²	127	147.5 Å²	147.5	83%	0.825	82%	0.817	S	S	*	*			cis	-132.1	162.3	-20.8	32.5	-13.7	0	0	0	114.2
333	G	29.5	Very low	31.1	Very low	70 Å²	70	146 Å²	146	72%	0.722	82%	0.818	S	S	*	*			trans	176.1	95.8	167.6	0	0	0	0	0	115.4
334	S	28.7	Very low	30.8	Very low	117 Å²	117	143.7 Å²	143.7	82%	0.818	82%	0.816	S	S	*	*			trans	51.3	117.4	152.8	59.8	0	0	0	0	122.3
335	N	28.3	Very low	30.9	Very low	159 Å²	159	142.2 Å²	142.2	85%	0.85	81%	0.812	S	S	*	*			trans	86.9	115	134.1	-99.8	10.9	0	0	0	122.2
336	V	29.3	Very low	31	Very low	106 Å²	106	137.4 Å²	137.4	64%	0.642	80%	0.796	S	S	*	*			trans	102.4	114.7	139.3	-175.4	0	0	0	0	119
337	Q	28.2	Very low	30.9	Very low	188 Å²	188	139 Å²	139	88%	0.879	79%	0.791	S	S	*	*			trans	58.4	141	151.6	-72.4	166.8	-6.6	0	0	119.1
338	A	28.8	Very low	30.7	Very low	84 Å²	84	141.9 Å²	141.9	69%	0.694	80%	0.797	S	S	*	*			cis	-161.7	155.4	-5	0	0	0	0	0	108
339	E	30.6	Very low	30.6	Very low	196 Å²	196	141.7 Å²	141.7	92%	0.916	79%	0.788	S	S	*	*			trans	57.7	102.8	156.5	-65	179.4	176.5	0	0	120.1
340	D	26.1	Very low	30.3	Very low	158 Å²	158	140.9 Å²	140.9	85%	0.845	79%	0.785	S	S	*	*			trans	-126.6	146.6	152.2	-169.4	20.8	0	0	0	110.2
341	R	32	Very low	30.3	Very low	234 Å²	234	138.8 Å²	138.8	88%	0.883	78%	0.779	S	S	*	*			trans	-66	127.9	-179.5	-71.7	168.2	157.9	165.9	-6.3	110.9
342	G	27.8	Very low	30.1	Very low	79 Å²	79	137.5 Å²	137.5	81%	0.814	78%	0.781	S	S	*	*			trans	-84	111	161.4	0	0	0	0	0	110.4
343	S	34.7	Very low	29.6	Very low	121 Å²	121	142.9 Å²	142.9	85%	0.846	79%	0.786	S	S	*	*			trans	-78.2	115.8	168	-174.3	0	0	0	0	109.6
344	V	28.6	Very low	29.5	Very low	136 Å²	136	145.4 Å²	145.4	82%	0.824	79%	0.793	S	S	*	*			trans	-150	131.5	155.8	-150.2	0	0	0	0	111.2
345	S	35.9	Very low	29.4	Very low	102 Å²	102	144.1 Å²	144.1	71%	0.713	78%	0.784	S	S	*	*			trans	-60.4	136.5	166.6	170	0	0	0	0	112.4
346	S	31.3	Very low	29.3	Very low	79 Å²	79	142.6 Å²	142.6	55%	0.552	78%	0.776	S	S	*	*			trans	-174.4	114.3	153.1	44.5	0	0	0	0	112.1
347	Y	30.2	Very low	29.2	Very low	205 Å²	205	144.8 Å²	144.8	80%	0.804	78%	0.779	S	S	*	*			trans	33.5	143.8	143	3.9	-77.5	0	0	0	122.7
348	E	28.3	Very low	29.2	Very low	174 Å²	174	147.3 Å²	147.3	81%	0.813	78%	0.781	S	S	*	*			trans	95.9	102.5	151.9	-74.7	-170.2	134.1	0	0	121
349	K	29.9	Very low	29.2	Very low	167 Å²	167	148.3 Å²	148.3	73%	0.726	78%	0.783	S	S	*	*				93.2	140	109	-154.8	-179.3	-176.3	171.6	0	119.5
350	N	28	Very low	29.1	Very low	124 Å²	124	145.7 Å²	145.7	66%	0.663	78%	0.775	S	S	*	*			trans	83.3	133	168.4	-66.9	-20.6	0	0	0	115.2
351	Q	30.6	Very low	29.4	Very low	166 Å²	166	144.8 Å²	144.8	78%	0.776	77%	0.77	S	S	*	*			cis	-158.5	128.7	12.6	-111.6	158.3	16.7	0	0	106.7
352	A	27	Very low	29.3	Very low	96 Å²	96	140.7 Å²	140.7	79%	0.793	76%	0.761	S	S	*	*				67.4	80.1	107	0	0	0	0	0	114.8
353	Y	27.7	Very low	29.3	Very low	239 Å²	239	140 Å²	140	94%	0.937	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-78.7	121	145.6	-107.9	-99.2	0	0	0	106.8
354	S	27.1	Very low	29.1	Very low	123 Å²	123	143.9 Å²	143.9	86%	0.86	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-97.9	116.8	166.6	-144.4	0	0	0	0	108.6
355	S	27.7	Very low	29.1	Very low	90 Å²	90	140.6 Å²	140.6	63%	0.629	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-80.4	160.4	173.9	47.9	0	0	0	0	112.7
356	N	26.6	Very low	28.7	Very low	127 Å²	127	143.5 Å²	143.5	68%	0.679	76%	0.756	S	S	*	*			trans	69.8	152.4	147.6	-73.7	25.3	0	0	0	117.1
357	E	27.1	Very low	28.7	Very low	152 Å²	152	146.8 Å²	146.8	71%	0.71	77%	0.767	S	S	*	*			cis	-171.3	133.3	2.9	-107.9	160.3	148.1	0	0	102.9
358	W	28.1	Very low	28.7	Very low	242 Å²	242	142.8 Å²	142.8	92%	0.917	77%	0.769	S	S	*	*				55.2	144.9	95.8	-75.3	55	0	0	0	117.5
359	S	27.5	Very low	28.6	Very low	105 Å²	105	137.8 Å²	137.8	73%	0.734	76%	0.764	S	S	*	*			trans	90.7	142.3	167.2	-149.9	0	0	0	0	116
360	D	29.7	Very low	28.8	Very low	140 Å²	140	135 Å²	135	75%	0.749	77%	0.766	S	S	*	*			cis	-174.7	161.5	-25.8	-98	-42.9	0	0	0	105.1
361	D	30.8	Very low	29.1	Very low	140 Å²	140	135.6 Å²	135.6	75%	0.749	77%	0.769	S	S	*	*			trans	105.2	138.4	130.7	-132	20.7	0	0	0	123.5
362	E	30.9	Very low	29.2	Very low	148 Å²	148	134.3 Å²	134.3	69%	0.692	77%	0.773	S	S	*	*			trans	77.4	94.9	152.4	-67.9	-94.5	141.9	0	0	121.5
363	G	28.2	Very low	29.5	Very low	65 Å²	65	137.9 Å²	137.9	67%	0.67	78%	0.779	S	S	*	*				73.8	113.6	86.9	0	0	0	0	0	119.7
364	K	30.3	Very low	29.6	Very low	201 Å²	201	130 Å²	130	87%	0.874	77%	0.77	S	S	*	*				163.7	132.9	115.9	-90.9	175.3	-176.6	171.2	0	112.4
365	G	27.4	Very low	29.8	Very low	67 Å²	67	127.8 Å²	127.8	69%	0.691	77%	0.767	S	S	*	*			trans	-96.8	171.9	172.4	0	0	0	0	0	114.3
366	L	28.9	Very low	30.1	Very low	164 Å²	164	129.6 Å²	129.6	86%	0.859	78%	0.779	S	S	*	*				162.2	114.3	126.2	-92.9	146.9	0	0	0	112.7
367	N	30.8	Very low	30.5	Very low	148 Å²	148	130.7 Å²	130.7	79%	0.791	79%	0.785	S	S	*	*				67.4	125.4	129.4	-104.7	9.5	0	0	0	125.7
368	S	29.5	Very low	30.9	Very low	121 Å²	121	129 Å²	129	85%	0.846	79%	0.787	S	S	*	*			trans	80.7	127.8	131.8	-145.4	0	0	0	0	119.2
369	G	27	Very low	31	Very low	68 Å²	68	126.4 Å²	126.4	70%	0.701	78%	0.783	S	S	*	*			cis	177	163.4	-0	0	0	0	0	0	112.8
370	S	33.3	Very low	31.5	Very low	109 Å²	109	131 Å²	131	76%	0.762	79%	0.786	S	S	*	*			trans	59.1	136.7	153.9	-174.9	0	0	0	0	120.1
371	D	35.3	Very low	31.7	Very low	136 Å²	136	132.7 Å²	132.7	73%	0.727	79%	0.789	S	S	*	*			cis	-166.3	143	-14.2	-93.5	-45.5	0	0	0	106.8
372	T	31.4	Very low	31.8	Very low	140 Å²	140	135.4 Å²	135.4	86%	0.859	80%	0.797	S	S	*	*				161.4	125.2	125.6	43	0	0	0	0	113.4
373	N	33.5	Very low	32.4	Very low	171 Å²	171	133.4 Å²	133.4	91%	0.914	80%	0.799	S	S	*	*			trans	78.7	123.6	149.3	-124.4	20.3	0	0	0	122.4
374	G	29.6	Very low	33.2	Very low	73 Å²	73	132.7 Å²	132.7	75%	0.753	79%	0.792	S	S	*	*			trans	98.2	101.8	137.8	0	0	0	0	0	116
375	G	32.5	Very low	34.7	Very low	77 Å²	77	132.8 Å²	132.8	79%	0.794	80%	0.796	S	S	*	*			trans	-76	151.5	-174.6	0	0	0	0	0	115.4
376	S	34.2	Very low	36.7	Very low	128 Å²	128	130.8 Å²	130.8	90%	0.895	78%	0.775	S	S	*	*			trans	-154.9	136.7	145.5	-80.6	0	0	0	0	109.2
377	N	34.9	Very low	39.5	Very low	150 Å²	150	127.1 Å²	127.1	80%	0.802	76%	0.759	S	S	*	*			trans	-53	148.2	-171.5	-120.7	-4.5	0	0	0	115.4	F379	N377-F379 PolarHBondContact O-N 3.03Å
378	P	35.3	Very low	42.5	Very low	116 Å²	116	125.2 Å²	125.2	75%	0.753	74%	0.741	S	S	*	*			trans	-90	91.6	171.6	35	-25.8	0	0	0	109.7
379	F	31.1	Very low	45.6	Very low	188 Å²	188	119.7 Å²	119.7	83%	0.825	70%	0.702	S	S	*	*			trans	-150.1	69.5	161.9	-147.6	-88.3	0	0	0	110.6	N377	N377-F379 PolarHBondContact O-N 3.03Å
380	Y	36.7	Very low	48.8	Very low	202 Å²	202	120.5 Å²	120.5	79%	0.792	69%	0.686	S	S	*	*			trans	-142.8	133.1	155.9	-64.8	-82.8	0	0	0	103.1
381	E	34.9	Very low	51.8	Low	174 Å²	174	115.4 Å²	115.4	81%	0.813	65%	0.65	S	S	*	*			cis	-153.5	128.4	42.6	-67.7	170.9	151.8	0	0	108.6
382	E	33.2	Very low	54.5	Low	198 Å²	198	112.1 Å²	112.1	93%	0.925	63%	0.632	S	S	*	*			trans	-110.3	103.5	150.9	-156.9	170.4	-152.9	0	0	106.6	G384	E382-G384 PolarHBondContact O-N 3.36Å
383	S	42.8	Very low	57.5	Low	105 Å²	105	112 Å²	112	73%	0.734	62%	0.617	S	S	*	*			trans	-70.3	75.5	177.4	-46.4	0	0	0	0	109.4
384	G	44.1	Very low	60.4	Low	50 Å²	50	107.9 Å²	107.9	52%	0.515	60%	0.595	S	S	.	*			trans	-72.2	122.8	163	0	0	0	0	0	109.3	E382 G386	E382-G384 PolarHBondContact O-N 3.36Å; G384-G386 PolarHBondContact O-N 3.2Å
385	E	61.9	Low	63.5	Low	204 Å²	204	105.7 Å²	105.7	95%	0.953	57%	0.565	S	S	*	*			trans	-60.8	81.4	166.7	-75.9	-177.1	148.3	0	0	109.4
386	G	70	Confident	66.5	Low	25 Å²	25	109.9 Å²	109.9	26%	0.258	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-71.4	140.7	175.6	0	0	0	0	0	111.2	G384 R388 K413	G384-G386 PolarHBondContact O-N 3.2Å; G386-R388 PolarHBondContact O-N 2.9Å; G386-K413 CarbonylContact C-O 3.59Å; G386-K413 WeakPolarHBondContact CA-O 3.33Å
387	V	87.8	Confident	69.3	Low	87 Å²	87	104.8 Å²	104.8	53%	0.527	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	127.8	179.2	-179.9	0	0	0	0	109	V389 K413	V387-V389 HydrophobicContact CG1-CG1 4.49Å; V387-V389 PolarHBondContact O-N 3.23Å; V387-K413 HydrophobicContact CB-CB 4.45Å; V387-K413 PolarHBondContact N-O 3.38Å; V387-K413 WeakPolarHBondContact O-CB 3.43Å; V387-K413 PolarHBondContact O-N 3.45Å
388	R	93.5	Very high	71.8	Confident	108 Å²	108	105.8 Å²	105.8	41%	0.408	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	126.8	173.8	-85.2	-82.9	-173.3	169.5	-10.3	109.3	G386 D428 I443	G386-R388 PolarHBondContact O-N 2.9Å; R388-D428 IonicContact CZ-OD1 3.2Å; R388-D428 IonicContact NH1-OD1 2.59Å; R388-D428 PolarHBondContact NH1-OD1 3.13Å; R388-D428 VanDerWaalsContact NH1-OD1 3.12Å; R388-D428 IonicContact NH1-OD2 3.53Å; R388-D428 PolarHBondContact NH1-OD2 3.07Å; R388-D428 IonicContact NH2-OD1 2.69Å; R388-D428 PolarHBondContact NH2-OD1 2.98Å; R388-I443 HydrophobicContact CB-CD1 4.06Å; R388-I443 PolarHBondContact O-N 3.04Å; R388-I443 VanDerWaalsContact O-N 3.14Å
389	V	94.4	Very high	74.4	Confident	4 Å²	4	106.7 Å²	106.7	2%	0.024	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	153.8	176.9	-59.1	0	0	0	0	109.8	V387 L410 L411 K413 V440 E441	V387-V389 HydrophobicContact CG1-CG1 4.49Å; V387-V389 PolarHBondContact O-N 3.23Å; V389-L410 WeakPolarHBondContact O-CA 3.4Å; V389-L411 HydrophobicContact CG2-CB 3.83Å; V389-L411 HydrophobicContact CG2-CD1 4.44Å; V389-L411 PolarHBondContact N-O 3.23Å; V389-L411 PolarHBondContact O-N 3.31Å; V389-K413 HydrophobicContact CG1-CB 4.15Å; V389-V440 HydrophobicContact CB-CB 4.03Å; V389-V440 HydrophobicContact CB-CG2 3.95Å; V389-V440 HydrophobicContact CG1-CG2 4.3Å; V389-V440 HydrophobicContact CG2-CB 4.01Å; V389-V440 HydrophobicContact CG2-CG1 4.24Å; V389-V440 HydrophobicContact CG2-CG2 3.95Å; V389-E441 CarbonylContact C-O 3.49Å; V389-E441 WeakPolarHBondContact CA-O 3.43Å; V389-E441 WeakPolarHBondContact CB-O 3.45Å
390	K	94.9	Very high	76.9	Confident	85 Å²	85	107.5 Å²	107.5	37%	0.37	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.8	178	-178.6	-178.7	177.5	-169.3	0	110	L392 D409 L410 V440 E441 I443	K390-L392 PolarHBondContact O-N 2.89Å; K390-D409 CarbonylContact C-O 3.51Å; K390-D409 WeakPolarHBondContact CA-O 3.32Å; K390-L410 HydrophobicContact CB-CD2 3.96Å; K390-L410 HydrophobicContact CG-CD2 3.98Å; K390-V440 CarbonylContact O-C 3.47Å; K390-V440 WeakPolarHBondContact O-CA 3.47Å; K390-E441 HydrophobicContact CB-CG 4.28Å; K390-E441 PolarHBondContact N-O 3.2Å; K390-E441 PolarHBondContact O-N 2.97Å; K390-I443 HydrophobicContact CB-CD1 4.16Å; K390-I443 HydrophobicContact CB-CG1 4Å
391	A	95.1	Very high	79.6	Confident	2 Å²	2	101.7 Å²	101.7	2%	0.017	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	127	174.8	0	0	0	0	0	111.5	F405 K406 G408 D409 L411	A391-F405 HydrophobicContact CB-CD2 3.45Å; A391-F405 VanDerWaalsContact CB-CD2 3.45Å; A391-F405 HydrophobicContact CB-CE2 3.66Å; A391-K406 WeakPolarHBondContact CB-O 3.47Å; A391-G408 PolarHBondContact O-N 3.42Å; A391-D409 HydrophobicContact CB-CB 4.43Å; A391-D409 PolarHBondContact N-O 3.18Å; A391-L411 HydrophobicContact CB-CD1 4.15Å
392	L	93.6	Very high	82.4	Confident	67 Å²	67	94.4 Å²	94.4	35%	0.351	48%	0.48	S	S	.	.	S	Bend	trans	-85.5	-30.4	175.6	-67.9	176.5	0	0	0	112.1	K390 Y439 E441	K390-L392 PolarHBondContact O-N 2.89Å; L392-Y439 PolarHBondContact N-O 3.1Å; L392-E441 HydrophobicContact CD1-CB 4.25Å; L392-E441 HydrophobicContact CD2-CB 4.17Å; L392-E441 VanDerWaalsContact CD2-CD 3.42Å; L392-E441 HydrophobicContact CD2-CG 3.74Å; L392-E441 HydrophobicContact CG-CB 4.26Å; L392-E441 HydrophobicContact CG-CG 4.22Å
393	Y	92.4	Very high	85.3	Confident	137 Å²	137	85 Å²	85	54%	0.537	44%	0.436	S	S	.	.	S	Bend	trans	-136.8	158.8	-175.3	-50.3	-73.5	0	0	0	111	Y439	Y393-Y439 HydrophobicContact CD2-CD1 4.29Å; Y393-Y439 HydrophobicContact CD2-CG 4.35Å
394	D	94.8	Very high	87.8	Confident	85 Å²	85	82.8 Å²	82.8	46%	0.455	42%	0.421	S	S	.	.			trans	-66.3	136.4	168.3	-75.4	12.1	0	0	0	109.9	K406 A407	D394-K406 HydrophobicContact CB-CD 4.25Å; D394-K406 WeakPolarHBondContact OD1-CA 3.42Å; D394-K406 WeakPolarHBondContact OD1-CD 3.39Å; D394-K406 WeakPolarHBondContact OD2-CD 3.29Å; D394-K406 IonicContact OD2-NZ 3.92Å; D394-K406 PolarHBondContact OD2-NZ 3.05Å; D394-A407 PolarHBondContact OD1-N 3.35Å
395	Y	95.1	Very high	90.2	Very high	28 Å²	28	80.8 Å²	80.8	11%	0.11	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-133.4	130	175.4	-170.1	-105	0	0	0	110.5	E402 L403 S404 F405 W422 P436 Y439	Y395-E402 PolarHBondContact OH-OE2 3.34Å; Y395-L403 WeakPolarHBondContact CD1-O 3.37Å; Y395-L403 WeakPolarHBondContact CE1-O 3.33Å; Y395-S404 CarbonylContact O-C 3.57Å; Y395-S404 WeakPolarHBondContact O-CA 3.4Å; Y395-F405 VanDerWaalsContact CB-CZ 3.48Å; Y395-F405 AromaticContact CD1-CE1 3.87Å; Y395-F405 HydrophobicContact CD1-CE1 3.87Å; Y395-F405 HydrophobicContact CD1-CZ 4.17Å; Y395-F405 HydrophobicContact CG-CE1 4.18Å; Y395-F405 HydrophobicContact CG-CZ 4.02Å; Y395-F405 PolarHBondContact N-O 3.44Å; Y395-F405 PolarHBondContact O-N 3.13Å; Y395-F405 VanDerWaalsContact O-O 3.08Å; Y395-W422 HydrophobicContact CE1-CZ3 4.47Å; Y395-W422 WeakPolarHBondContact OH-CH2 3.19Å; Y395-P436 HydrophobicContact CD2-CG 3.99Å; Y395-P436 HydrophobicContact CE1-CG 4.44Å; Y395-P436 HydrophobicContact CE2-CG 3.51Å; Y395-Y439 AromaticContact CD2-CD1 3.89Å; Y395-Y439 HydrophobicContact CD2-CD1 3.89Å; Y395-Y439 AromaticContact CD2-CE1 3.8Å; Y395-Y439 HydrophobicContact CD2-CE1 3.8Å; Y395-Y439 HydrophobicContact CG-CD1 4.32Å
396	E	95.4	Very high	91.7	Very high	164 Å²	164	76.9 Å²	76.9	77%	0.766	38%	0.378	S	S	*	.			trans	-116.2	112.7	175.1	-172.4	172.5	-167.5	0	0	107.5
397	G	92.4	Very high	92.9	Very high	21 Å²	21	78.2 Å²	78.2	22%	0.216	39%	0.386	C	S	.	.			trans	-63.3	133.3	-177.1	0	0	0	0	0	111.2	E402 L403 S404	G397-E402 VanDerWaalsContact CA-OE2 3.3Å; G397-E402 WeakPolarHBondContact CA-OE2 3.34Å; G397-L403 PolarHBondContact N-O 3.16Å; G397-S404 PolarHBondContact N-OG 3.04Å
398	Q	88.6	Confident	93.1	Very high	172 Å²	172	75.8 Å²	75.8	80%	0.804	38%	0.379	S	S	*	.	S	Bend	trans	-91.5	-33.8	-177.5	-61.1	-173.5	16.7	0	0	111.9	E402	Q398-E402 PolarHBondContact N-OE2 2.75Å
399	E	88.6	Confident	93.1	Very high	134 Å²	134	73.8 Å²	73.8	63%	0.626	38%	0.376	S	S	*	.	S	Bend	trans	-105.6	165	176.8	-59	-165	-174.1	0	0	112.5	D401 E402	E399-D401 VanDerWaalsContact CB-OD1 3.27Å; E399-D401 WeakPolarHBondContact CB-OD1 3.37Å; E399-D401 PolarHBondContact O-N 2.92Å; E399-E402 HydrophobicContact CB-CG 4.26Å; E399-E402 PolarHBondContact N-OE1 3.14Å; E399-E402 PolarHBondContact O-N 3.43Å
400	Q	85.1	Confident	93	Very high	205 Å²	205	76.7 Å²	76.7	96%	0.958	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-18.6	-173.2	-72	-176.8	8.4	0	0	113.8
401	D	91.9	Very high	93	Very high	80 Å²	80	72.6 Å²	72.6	43%	0.428	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-1.2	178.1	60.9	-27.9	0	0	0	113	E399 G433 L434	E399-D401 VanDerWaalsContact CB-OD1 3.27Å; E399-D401 WeakPolarHBondContact CB-OD1 3.37Å; E399-D401 PolarHBondContact O-N 2.92Å; D401-G433 CarbonylContact O-C 3.55Å; D401-G433 WeakPolarHBondContact O-CA 3.41Å; D401-L434 PolarHBondContact O-N 2.74Å
402	E	94.1	Very high	93	Very high	21 Å²	21	73.3 Å²	73.3	10%	0.098	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-91.3	145.9	176.8	-65	179	-142.5	0	0	112.9	Y395 G397 Q398 E399 W422 L434	Y395-E402 PolarHBondContact OH-OE2 3.34Å; G397-E402 VanDerWaalsContact CA-OE2 3.3Å; G397-E402 WeakPolarHBondContact CA-OE2 3.34Å; Q398-E402 PolarHBondContact N-OE2 2.75Å; E399-E402 HydrophobicContact CB-CG 4.26Å; E399-E402 PolarHBondContact N-OE1 3.14Å; E399-E402 PolarHBondContact O-N 3.43Å; E402-W422 HydrophobicContact CG-CH2 4.07Å; E402-W422 HydrophobicContact CG-CZ3 3.91Å; E402-L434 CarbonylContact C-O 3.55Å; E402-L434 WeakPolarHBondContact CA-O 3.32Å
403	L	93.9	Very high	93	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	37%	0.371	C	S	.	.			trans	-80.9	153.4	172.7	-68.1	175.7	0	0	0	111.4	Y395 G397 F405 L411 L427 Q431 L434 Y435	Y395-L403 WeakPolarHBondContact CD1-O 3.37Å; Y395-L403 WeakPolarHBondContact CE1-O 3.33Å; G397-L403 PolarHBondContact N-O 3.16Å; L403-F405 HydrophobicContact CB-CD1 4.03Å; L403-F405 HydrophobicContact CB-CE1 4.28Å; L403-L411 HydrophobicContact CD1-CD2 3.94Å; L403-L427 HydrophobicContact CD1-CG 4.35Å; L403-L427 HydrophobicContact CD2-CD1 4.06Å; L403-L427 HydrophobicContact CD2-CG 4.22Å; L403-Q431 HydrophobicContact CD2-CB 4.25Å; L403-Q431 HydrophobicContact CD2-CG 3.79Å; L403-L434 PolarHBondContact N-O 2.87Å; L403-Y435 HydrophobicContact CD1-CD1 4.22Å
404	S	95.1	Very high	92.9	Very high	60 Å²	60	68.8 Å²	68.8	42%	0.42	36%	0.36	S	S	.	.			trans	-121.4	128.8	167.4	-62	0	0	0	0	109.4	Y395 G397	Y395-S404 CarbonylContact O-C 3.57Å; Y395-S404 WeakPolarHBondContact O-CA 3.4Å; G397-S404 PolarHBondContact N-OG 3.04Å
405	F	94.8	Very high	92.8	Very high	7 Å²	7	69.6 Å²	69.6	3%	0.031	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-152.4	163.4	-175.5	53.4	-94.6	0	0	0	112.1	A391 Y395 L403 D409 L411 L427 Y435	A391-F405 HydrophobicContact CB-CD2 3.45Å; A391-F405 VanDerWaalsContact CB-CD2 3.45Å; A391-F405 HydrophobicContact CB-CE2 3.66Å; Y395-F405 VanDerWaalsContact CB-CZ 3.48Å; Y395-F405 AromaticContact CD1-CE1 3.87Å; Y395-F405 HydrophobicContact CD1-CE1 3.87Å; Y395-F405 HydrophobicContact CD1-CZ 4.17Å; Y395-F405 HydrophobicContact CG-CE1 4.18Å; Y395-F405 HydrophobicContact CG-CZ 4.02Å; Y395-F405 PolarHBondContact N-O 3.44Å; Y395-F405 PolarHBondContact O-N 3.13Å; Y395-F405 VanDerWaalsContact O-O 3.08Å; L403-F405 HydrophobicContact CB-CD1 4.03Å; L403-F405 HydrophobicContact CB-CE1 4.28Å; F405-D409 HydrophobicContact CB-CB 4.29Å; F405-L411 HydrophobicContact CD1-CD2 3.92Å; F405-L411 HydrophobicContact CE1-CD2 4.22Å; F405-L411 HydrophobicContact CG-CD2 4.32Å; F405-L427 HydrophobicContact CB-CD2 4Å; F405-Y435 HydrophobicContact CE1-CG 4.36Å
406	K	94.9	Very high	92.5	Very high	123 Å²	123	74.3 Å²	74.3	54%	0.535	39%	0.389	S	S	.	.			trans	-105.4	152.8	179	-66.6	-60.3	-171.8	-174.6	0	111.5	A391 D394 G408 D409	A391-K406 WeakPolarHBondContact CB-O 3.47Å; D394-K406 HydrophobicContact CB-CD 4.25Å; D394-K406 WeakPolarHBondContact OD1-CA 3.42Å; D394-K406 WeakPolarHBondContact OD1-CD 3.39Å; D394-K406 WeakPolarHBondContact OD2-CD 3.29Å; D394-K406 IonicContact OD2-NZ 3.92Å; D394-K406 PolarHBondContact OD2-NZ 3.05Å; K406-G408 PolarHBondContact O-N 3.24Å; K406-D409 PolarHBondContact N-OD2 3.02Å; K406-D409 VanDerWaalsContact O-CB 3.26Å; K406-D409 WeakPolarHBondContact O-CB 3.22Å; K406-D409 VanDerWaalsContact O-CG 3.28Å; K406-D409 PolarHBondContact O-N 3.15Å
407	A	94.4	Very high	92.3	Very high	52 Å²	52	72.3 Å²	72.3	43%	0.43	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	126.4	173.8	0	0	0	0	0	109.9	D394	D394-A407 PolarHBondContact OD1-N 3.35Å
408	G	92.1	Very high	92.2	Very high	36 Å²	36	74.6 Å²	74.6	37%	0.371	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	99	-12.4	-175.1	0	0	0	0	0	115.2	A391 K406	A391-G408 PolarHBondContact O-N 3.42Å; K406-G408 PolarHBondContact O-N 3.24Å
409	D	93.6	Very high	92.2	Very high	67 Å²	67	75 Å²	75	36%	0.358	39%	0.394	S	S	.	.			trans	-65.8	148.9	176.2	-72.2	-13.3	0	0	0	111.4	K390 A391 F405 K406	K390-D409 CarbonylContact C-O 3.51Å; K390-D409 WeakPolarHBondContact CA-O 3.32Å; A391-D409 HydrophobicContact CB-CB 4.43Å; A391-D409 PolarHBondContact N-O 3.18Å; F405-D409 HydrophobicContact CB-CB 4.29Å; K406-D409 PolarHBondContact N-OD2 3.02Å; K406-D409 VanDerWaalsContact O-CB 3.26Å; K406-D409 WeakPolarHBondContact O-CB 3.22Å; K406-D409 VanDerWaalsContact O-CG 3.28Å; K406-D409 PolarHBondContact O-N 3.15Å
410	L	93	Very high	92	Very high	64 Å²	64	76.2 Å²	76.2	34%	0.335	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.6	178.4	-56.4	-173	0	0	0	110.3	V389 K390 I443	V389-L410 WeakPolarHBondContact O-CA 3.4Å; K390-L410 HydrophobicContact CB-CD2 3.96Å; K390-L410 HydrophobicContact CG-CD2 3.98Å; L410-I443 HydrophobicContact CD2-CD1 3.53Å
411	L	93.8	Very high	92.3	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	158.6	177	-50.3	94.1	0	0	0	110.2	V389 A391 L403 F405 R426 L427 V440	V389-L411 HydrophobicContact CG2-CB 3.83Å; V389-L411 HydrophobicContact CG2-CD1 4.44Å; V389-L411 PolarHBondContact N-O 3.23Å; V389-L411 PolarHBondContact O-N 3.31Å; A391-L411 HydrophobicContact CB-CD1 4.15Å; L403-L411 HydrophobicContact CD1-CD2 3.94Å; F405-L411 HydrophobicContact CD1-CD2 3.92Å; F405-L411 HydrophobicContact CE1-CD2 4.22Å; F405-L411 HydrophobicContact CG-CD2 4.32Å; L411-R426 WeakPolarHBondContact CA-O 3.48Å; L411-L427 HydrophobicContact CD2-CD2 3.52Å; L411-L427 HydrophobicContact CD2-CG 4.23Å; L411-L427 HydrophobicContact CG-CD2 3.76Å; L411-V440 HydrophobicContact CD1-CG1 4.2Å
412	T	95.2	Very high	92.5	Very high	17 Å²	17	66.5 Å²	66.5	10%	0.104	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	114.4	169	-55.6	0	0	0	0	108.3	L414 G425 R426	T412-L414 HydrophobicContact CG2-CD2 4.03Å; T412-G425 CarbonylContact O-C 3.6Å; T412-G425 WeakPolarHBondContact O-CA 3.32Å; T412-R426 PolarHBondContact N-O 2.83Å; T412-R426 PolarHBondContact O-N 3.44Å
413	K	93.5	Very high	92.5	Very high	47 Å²	47	65.7 Å²	65.7	20%	0.204	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.8	172.7	-176.6	-178	-172.6	-166.5	0	109.3	G386 V387 V389 E415 D416 C423 Y435	G386-K413 CarbonylContact C-O 3.59Å; G386-K413 WeakPolarHBondContact CA-O 3.33Å; V387-K413 HydrophobicContact CB-CB 4.45Å; V387-K413 PolarHBondContact N-O 3.38Å; V387-K413 WeakPolarHBondContact O-CB 3.43Å; V387-K413 PolarHBondContact O-N 3.45Å; V389-K413 HydrophobicContact CG1-CB 4.15Å; K413-E415 WeakPolarHBondContact CE-O 3.01Å; K413-E415 WeakPolarHBondContact CG-O 3.01Å; K413-D416 WeakPolarHBondContact CE-OD1 3.31Å; K413-D416 IonicContact NZ-OD1 3.14Å; K413-D416 PolarHBondContact NZ-OD1 2.91Å; K413-C423 VanDerWaalsContact CE-SG 3.57Å; K413-Y435 WeakPolarHBondContact CB-OH 3.48Å; K413-Y435 WeakPolarHBondContact CG-OH 3.33Å
414	L	91.7	Very high	92.5	Very high	61 Å²	61	69.4 Å²	69.4	32%	0.319	37%	0.367	S	S	.	.			trans	-108.3	-33.7	-176.9	-63.2	178.3	0	0	0	112.9	T412 K424 R426 L432	T412-L414 HydrophobicContact CG2-CD2 4.03Å; L414-K424 PolarHBondContact N-O 3.34Å; L414-R426 HydrophobicContact CD1-CB 4.13Å; L414-L432 HydrophobicContact CD1-CD2 3.29Å
415	E	90.8	Very high	92.4	Very high	103 Å²	103	66.5 Å²	66.5	48%	0.481	35%	0.347	S	S	.	.	S	Bend	trans	-131.5	150.6	177.3	-62.9	172	-158.1	0	0	109.5	K413 K424	K413-E415 WeakPolarHBondContact CE-O 3.01Å; K413-E415 WeakPolarHBondContact CG-O 3.01Å; E415-K424 HydrophobicContact CB-CB 3.91Å; E415-K424 HydrophobicContact CG-CB 4.17Å; E415-K424 HydrophobicContact CG-CD 4.13Å; E415-K424 PolarHBondContact N-O 3.18Å; E415-K424 WeakPolarHBondContact OE1-CD 3.31Å; E415-K424 IonicContact OE1-NZ 3.12Å; E415-K424 PolarHBondContact OE1-NZ 2.91Å
416	D	88.8	Confident	92.4	Very high	127 Å²	127	70.7 Å²	70.7	68%	0.679	36%	0.362	S	S	*	.			trans	-69.6	171.1	177	-79.7	-42.6	0	0	0	112.9	K413 D418	K413-D416 WeakPolarHBondContact CE-OD1 3.31Å; K413-D416 IonicContact NZ-OD1 3.14Å; K413-D416 PolarHBondContact NZ-OD1 2.91Å; D416-D418 PolarHBondContact O-N 3.38Å
417	E	92.4	Very high	92.3	Very high	122 Å²	122	65.5 Å²	65.5	57%	0.57	34%	0.341	S	S	*	.			trans	-61.9	128.6	177.9	-172.5	-179.9	155	0	0	110.3	G421 W422 C423 A437	E417-G421 WeakPolarHBondContact OE1-CA 3.41Å; E417-W422 WeakPolarHBondContact CA-O 3.48Å; E417-C423 VanDerWaalsContact CA-SG 3.59Å; E417-A437 HydrophobicContact CB-CB 4.25Å; E417-A437 HydrophobicContact CG-CB 3.87Å
418	D	89.6	Confident	91.9	Very high	68 Å²	68	68 Å²	68	36%	0.364	35%	0.346	S	S	.	.			trans	-81.9	179.6	173.6	76.2	-0.4	0	0	0	112.4	D416 Q420 G421 W422	D416-D418 PolarHBondContact O-N 3.38Å; D418-Q420 PolarHBondContact O-N 3.24Å; D418-Q420 WeakPolarHBondContact OD1-CA 3.49Å; D418-Q420 WeakPolarHBondContact OD1-CB 3.37Å; D418-Q420 PolarHBondContact OD1-N 2.96Å; D418-G421 PolarHBondContact O-N 3.39Å; D418-G421 VanDerWaalsContact O-N 3.14Å; D418-G421 PolarHBondContact OD1-N 2.7Å; D418-W422 PolarHBondContact N-O 2.87Å; D418-W422 PolarHBondContact OD1-N 3.43Å
419	D	88	Confident	91.4	Very high	180 Å²	180	72 Å²	72	96%	0.963	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-9.7	179.8	-66.5	-34	0	0	0	114.1
420	Q	86.2	Confident	91	Very high	161 Å²	161	71 Å²	71	75%	0.752	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	0.9	-178.1	-65.8	178.1	74.3	0	0	112.9	D418	D418-Q420 PolarHBondContact O-N 3.24Å; D418-Q420 WeakPolarHBondContact OD1-CA 3.49Å; D418-Q420 WeakPolarHBondContact OD1-CB 3.37Å; D418-Q420 PolarHBondContact OD1-N 2.96Å
421	G	90.5	Very high	90.8	Very high	19 Å²	19	72.4 Å²	72.4	20%	0.196	37%	0.37	C	S	.	.	S	Bend	trans	88.4	16.3	177.8	0	0	0	0	0	114.9	E417 D418 A437	E417-G421 WeakPolarHBondContact OE1-CA 3.41Å; D418-G421 PolarHBondContact O-N 3.39Å; D418-G421 VanDerWaalsContact O-N 3.14Å; D418-G421 PolarHBondContact OD1-N 2.7Å; G421-A437 WeakPolarHBondContact O-CB 3.47Å; G421-A437 PolarHBondContact O-N 3.05Å
422	W	95.2	Very high	90.8	Very high	62 Å²	62	76.4 Å²	76.4	24%	0.235	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	142.2	-177.9	-66.9	85.1	0	0	0	112	Y395 E402 E417 D418 L434 P436	Y395-W422 HydrophobicContact CE1-CZ3 4.47Å; Y395-W422 WeakPolarHBondContact OH-CH2 3.19Å; E402-W422 HydrophobicContact CG-CH2 4.07Å; E402-W422 HydrophobicContact CG-CZ3 3.91Å; E417-W422 WeakPolarHBondContact CA-O 3.48Å; D418-W422 PolarHBondContact N-O 2.87Å; D418-W422 PolarHBondContact OD1-N 3.43Å; W422-L434 HydrophobicContact CE3-CB 3.86Å; W422-L434 HydrophobicContact CZ3-CB 4.34Å; W422-P436 HydrophobicContact CE3-CG 4.42Å; W422-P436 HydrophobicContact CH2-CG 4.3Å; W422-P436 HydrophobicContact CZ3-CG 4.07Å
423	C	94.1	Very high	90.8	Very high	3 Å²	3	76 Å²	76	2%	0.02	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	152.1	170.3	-67.8	0	0	0	0	110	K413 E417 L434 Y435	K413-C423 VanDerWaalsContact CE-SG 3.57Å; E417-C423 VanDerWaalsContact CA-SG 3.59Å; C423-L434 CarbonylContact O-C 3.43Å; C423-L434 WeakPolarHBondContact O-CA 3.23Å; C423-Y435 HydrophobicContact CB-CD1 4.43Å; C423-Y435 HydrophobicContact CB-CD2 4.48Å; C423-Y435 HydrophobicContact CB-CE1 3.79Å; C423-Y435 HydrophobicContact CB-CE2 3.84Å; C423-Y435 VanDerWaalsContact CB-CZ 3.48Å; C423-Y435 PolarHBondContact N-O 2.98Å; C423-Y435 VanDerWaalsContact O-CD1 3.31Å; C423-Y435 WeakPolarHBondContact O-CD1 3.41Å; C423-Y435 PolarHBondContact O-N 3.21Å
424	K	94.3	Very high	90.9	Very high	78 Å²	78	76 Å²	76	34%	0.339	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	135.2	170.1	-164.2	-178.4	-177.2	175.9	0	110.3	L414 E415 L434	L414-K424 PolarHBondContact N-O 3.34Å; E415-K424 HydrophobicContact CB-CB 3.91Å; E415-K424 HydrophobicContact CG-CB 4.17Å; E415-K424 HydrophobicContact CG-CD 4.13Å; E415-K424 PolarHBondContact N-O 3.18Å; E415-K424 WeakPolarHBondContact OE1-CD 3.31Å; E415-K424 IonicContact OE1-NZ 3.12Å; E415-K424 PolarHBondContact OE1-NZ 2.91Å; K424-L434 HydrophobicContact CB-CD2 4.11Å; K424-L434 HydrophobicContact CG-CD2 4.34Å
425	G	93.4	Very high	91	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	175	-178.8	0	0	0	0	0	114.3	T412 L432 G433	T412-G425 CarbonylContact O-C 3.6Å; T412-G425 WeakPolarHBondContact O-CA 3.32Å; G425-L432 WeakPolarHBondContact O-CA 3.39Å; G425-G433 PolarHBondContact N-O 3.39Å; G425-G433 PolarHBondContact O-N 3.09Å; G425-G433 VanDerWaalsContact O-N 3.09Å
426	R	95.6	Very high	91.2	Very high	94 Å²	94	68.9 Å²	68.9	36%	0.355	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.7	177	-170.9	169.7	53.5	-149.3	-6.1	110.5	L411 T412 L414 Q431 L432	L411-R426 WeakPolarHBondContact CA-O 3.48Å; T412-R426 PolarHBondContact N-O 2.83Å; T412-R426 PolarHBondContact O-N 3.44Å; L414-R426 HydrophobicContact CD1-CB 4.13Å; R426-Q431 CarbonylContact C-O 3.57Å; R426-Q431 VanDerWaalsContact CA-O 3.3Å; R426-Q431 WeakPolarHBondContact CA-O 3.45Å; R426-L432 HydrophobicContact CB-CD2 3.62Å; R426-L432 HydrophobicContact CB-CG 4.47Å; R426-L432 HydrophobicContact CG-CD2 3.84Å; R426-L432 HydrophobicContact CG-CG 4.23Å
427	L	91.6	Very high	91.4	Very high	15 Å²	15	63.9 Å²	63.9	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	156.1	168.9	-72.5	172.5	0	0	0	110.8	L403 F405 L411 N429 G430 Q431	L403-L427 HydrophobicContact CD1-CG 4.35Å; L403-L427 HydrophobicContact CD2-CD1 4.06Å; L403-L427 HydrophobicContact CD2-CG 4.22Å; F405-L427 HydrophobicContact CB-CD2 4Å; L411-L427 HydrophobicContact CD2-CD2 3.52Å; L411-L427 HydrophobicContact CD2-CG 4.23Å; L411-L427 HydrophobicContact CG-CD2 3.76Å; L427-N429 WeakPolarHBondContact CB-OD1 3.41Å; L427-N429 PolarHBondContact O-N 3.23Å; L427-N429 VanDerWaalsContact O-N 3.1Å; L427-G430 PolarHBondContact O-N 3.02Å; L427-Q431 HydrophobicContact CB-CB 4.49Å; L427-Q431 HydrophobicContact CD1-CB 4.34Å; L427-Q431 PolarHBondContact N-O 3.1Å
428	D	86.1	Confident	91.5	Very high	103 Å²	103	63.5 Å²	63.5	55%	0.551	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19	177.2	-79.6	-26.5	0	0	0	112.8	R388 G430	R388-D428 IonicContact CZ-OD1 3.2Å; R388-D428 IonicContact NH1-OD1 2.59Å; R388-D428 PolarHBondContact NH1-OD1 3.13Å; R388-D428 VanDerWaalsContact NH1-OD1 3.12Å; R388-D428 IonicContact NH1-OD2 3.53Å; R388-D428 PolarHBondContact NH1-OD2 3.07Å; R388-D428 IonicContact NH2-OD1 2.69Å; R388-D428 PolarHBondContact NH2-OD1 2.98Å; D428-G430 PolarHBondContact O-N 2.83Å
429	N	82.7	Confident	91.7	Very high	121 Å²	121	63.9 Å²	63.9	65%	0.647	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-0.3	172.2	71.4	2.1	0	0	0	113.9	L427 Q431	L427-N429 WeakPolarHBondContact CB-OD1 3.41Å; L427-N429 PolarHBondContact O-N 3.23Å; L427-N429 VanDerWaalsContact O-N 3.1Å; N429-Q431 VanDerWaalsContact OD1-CB 3.23Å; N429-Q431 WeakPolarHBondContact OD1-CB 3.21Å; N429-Q431 PolarHBondContact OD1-N 3.12Å
430	G	84.9	Confident	92	Very high	46 Å²	46	56.2 Å²	56.2	47%	0.474	29%	0.293	S	S	.	.	S	Bend	trans	90.5	-5.3	179.5	0	0	0	0	0	115.3	L427 D428	L427-G430 PolarHBondContact O-N 3.02Å; D428-G430 PolarHBondContact O-N 2.83Å
431	Q	89	Confident	92.3	Very high	94 Å²	94	52.7 Å²	52.7	44%	0.439	28%	0.276	S	S	.	.			trans	-70	132.1	179.2	-169.5	177	-0.2	0	0	111.1	L403 R426 L427 N429	L403-Q431 HydrophobicContact CD2-CB 4.25Å; L403-Q431 HydrophobicContact CD2-CG 3.79Å; R426-Q431 CarbonylContact C-O 3.57Å; R426-Q431 VanDerWaalsContact CA-O 3.3Å; R426-Q431 WeakPolarHBondContact CA-O 3.45Å; L427-Q431 HydrophobicContact CB-CB 4.49Å; L427-Q431 HydrophobicContact CD1-CB 4.34Å; L427-Q431 PolarHBondContact N-O 3.1Å; N429-Q431 VanDerWaalsContact OD1-CB 3.23Å; N429-Q431 WeakPolarHBondContact OD1-CB 3.21Å; N429-Q431 PolarHBondContact OD1-N 3.12Å
432	L	93.4	Very high	92.3	Very high	83 Å²	83	56.4 Å²	56.4	44%	0.435	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.2	178.5	-73	161.8	0	0	0	109.8	L414 G425 R426	L414-L432 HydrophobicContact CD1-CD2 3.29Å; G425-L432 WeakPolarHBondContact O-CA 3.39Å; R426-L432 HydrophobicContact CB-CD2 3.62Å; R426-L432 HydrophobicContact CB-CG 4.47Å; R426-L432 HydrophobicContact CG-CD2 3.84Å; R426-L432 HydrophobicContact CG-CG 4.23Å
433	G	94.1	Very high	91.7	Very high	8 Å²	8	60.6 Å²	60.6	8%	0.082	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-178	175.6	0	0	0	0	0	113.2	D401 G425	D401-G433 CarbonylContact O-C 3.55Å; D401-G433 WeakPolarHBondContact O-CA 3.41Å; G425-G433 PolarHBondContact N-O 3.39Å; G425-G433 PolarHBondContact O-N 3.09Å; G425-G433 VanDerWaalsContact O-N 3.09Å
434	L	95.6	Very high	91.6	Very high	49 Å²	49	63.5 Å²	63.5	26%	0.257	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	147.6	178.7	-61.9	177.7	0	0	0	111.3	D401 E402 L403 W422 C423 K424	D401-L434 PolarHBondContact O-N 2.74Å; E402-L434 CarbonylContact C-O 3.55Å; E402-L434 WeakPolarHBondContact CA-O 3.32Å; L403-L434 PolarHBondContact N-O 2.87Å; W422-L434 HydrophobicContact CE3-CB 3.86Å; W422-L434 HydrophobicContact CZ3-CB 4.34Å; C423-L434 CarbonylContact O-C 3.43Å; C423-L434 WeakPolarHBondContact O-CA 3.23Å; K424-L434 HydrophobicContact CB-CD2 4.11Å; K424-L434 HydrophobicContact CG-CD2 4.34Å
435	Y	94.8	Very high	91.5	Very high	1 Å²	1	62.7 Å²	62.7	0%	0.004	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	154.3	172.2	66.5	-85.3	0	0	0	111.2	L403 F405 K413 C423 A437 V440	L403-Y435 HydrophobicContact CD1-CD1 4.22Å; F405-Y435 HydrophobicContact CE1-CG 4.36Å; K413-Y435 WeakPolarHBondContact CB-OH 3.48Å; K413-Y435 WeakPolarHBondContact CG-OH 3.33Å; C423-Y435 HydrophobicContact CB-CD1 4.43Å; C423-Y435 HydrophobicContact CB-CD2 4.48Å; C423-Y435 HydrophobicContact CB-CE1 3.79Å; C423-Y435 HydrophobicContact CB-CE2 3.84Å; C423-Y435 VanDerWaalsContact CB-CZ 3.48Å; C423-Y435 PolarHBondContact N-O 2.98Å; C423-Y435 VanDerWaalsContact O-CD1 3.31Å; C423-Y435 WeakPolarHBondContact O-CD1 3.41Å; C423-Y435 PolarHBondContact O-N 3.21Å; Y435-A437 PolarHBondContact O-N 3.21Å; Y435-V440 HydrophobicContact CD2-CG1 3.83Å; Y435-V440 HydrophobicContact CD2-CG2 4.37Å; Y435-V440 HydrophobicContact CE2-CB 4.28Å; Y435-V440 HydrophobicContact CE2-CG1 3.68Å; Y435-V440 HydrophobicContact CE2-CG2 3.53Å
436	P	95.4	Very high	91.4	Very high	13 Å²	13	66.2 Å²	66.2	8%	0.084	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	129.7	178.8	-17.2	30.5	0	0	0	111.6	Y395 W422 N438 Y439	Y395-P436 HydrophobicContact CD2-CG 3.99Å; Y395-P436 HydrophobicContact CE1-CG 4.44Å; Y395-P436 HydrophobicContact CE2-CG 3.51Å; W422-P436 HydrophobicContact CE3-CG 4.42Å; W422-P436 HydrophobicContact CH2-CG 4.3Å; W422-P436 HydrophobicContact CZ3-CG 4.07Å; P436-N438 VanDerWaalsContact CB-OD1 3.29Å; P436-N438 WeakPolarHBondContact CB-OD1 3.47Å; P436-N438 PolarHBondContact O-N 3.06Å; P436-N438 VanDerWaalsContact O-N 3.14Å; P436-Y439 HydrophobicContact CB-CD2 3.78Å; P436-Y439 HydrophobicContact CB-CE2 4.37Å; P436-Y439 HydrophobicContact CB-CG 4.3Å; P436-Y439 HydrophobicContact CG-CD2 4.15Å; P436-Y439 HydrophobicContact CG-CG 4.4Å; P436-Y439 PolarHBondContact O-N 2.73Å
437	A	93	Very high	91.1	Very high	21 Å²	21	64.5 Å²	64.5	17%	0.174	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-58.9	-31.6	-175.8	0	0	0	0	0	113.2	E417 G421 Y435 Y439	E417-A437 HydrophobicContact CB-CB 4.25Å; E417-A437 HydrophobicContact CG-CB 3.87Å; G421-A437 WeakPolarHBondContact O-CB 3.47Å; G421-A437 PolarHBondContact O-N 3.05Å; Y435-A437 PolarHBondContact O-N 3.21Å; A437-Y439 VanDerWaalsContact C-N 3.27Å; A437-Y439 PolarHBondContact O-N 3.24Å
438	N	94.4	Very high	91.1	Very high	114 Å²	114	67.6 Å²	67.6	61%	0.61	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-78.8	-1.3	-179.6	64.7	-30	0	0	0	114.8	P436	P436-N438 VanDerWaalsContact CB-OD1 3.29Å; P436-N438 WeakPolarHBondContact CB-OD1 3.47Å; P436-N438 PolarHBondContact O-N 3.06Å; P436-N438 VanDerWaalsContact O-N 3.14Å
439	Y	93.6	Very high	91.4	Very high	76 Å²	76	65.3 Å²	65.3	30%	0.298	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-95	-1.1	179.2	-86.7	-121.4	0	0	0	113.3	L392 Y393 Y395 P436 A437	L392-Y439 PolarHBondContact N-O 3.1Å; Y393-Y439 HydrophobicContact CD2-CD1 4.29Å; Y393-Y439 HydrophobicContact CD2-CG 4.35Å; Y395-Y439 AromaticContact CD2-CD1 3.89Å; Y395-Y439 HydrophobicContact CD2-CD1 3.89Å; Y395-Y439 AromaticContact CD2-CE1 3.8Å; Y395-Y439 HydrophobicContact CD2-CE1 3.8Å; Y395-Y439 HydrophobicContact CG-CD1 4.32Å; P436-Y439 HydrophobicContact CB-CD2 3.78Å; P436-Y439 HydrophobicContact CB-CE2 4.37Å; P436-Y439 HydrophobicContact CB-CG 4.3Å; P436-Y439 HydrophobicContact CG-CD2 4.15Å; P436-Y439 HydrophobicContact CG-CG 4.4Å; P436-Y439 PolarHBondContact O-N 2.73Å; A437-Y439 VanDerWaalsContact C-N 3.27Å; A437-Y439 PolarHBondContact O-N 3.24Å
440	V	93.6	Very high	92.1	Very high	19 Å²	19	61.3 Å²	61.3	12%	0.115	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	158.6	-178.8	-52.7	0	0	0	0	111.6	V389 K390 L411 Y435	V389-V440 HydrophobicContact CB-CB 4.03Å; V389-V440 HydrophobicContact CB-CG2 3.95Å; V389-V440 HydrophobicContact CG1-CG2 4.3Å; V389-V440 HydrophobicContact CG2-CB 4.01Å; V389-V440 HydrophobicContact CG2-CG1 4.24Å; V389-V440 HydrophobicContact CG2-CG2 3.95Å; K390-V440 CarbonylContact O-C 3.47Å; K390-V440 WeakPolarHBondContact O-CA 3.47Å; L411-V440 HydrophobicContact CD1-CG1 4.2Å; Y435-V440 HydrophobicContact CD2-CG1 3.83Å; Y435-V440 HydrophobicContact CD2-CG2 4.37Å; Y435-V440 HydrophobicContact CE2-CB 4.28Å; Y435-V440 HydrophobicContact CE2-CG1 3.68Å; Y435-V440 HydrophobicContact CE2-CG2 3.53Å
441	E	93.3	Very high	92.6	Very high	87 Å²	87	62.5 Å²	62.5	41%	0.407	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.4	169	64.8	-177.6	168.2	0	0	110.9	V389 K390 L392	V389-E441 CarbonylContact C-O 3.49Å; V389-E441 WeakPolarHBondContact CA-O 3.43Å; V389-E441 WeakPolarHBondContact CB-O 3.45Å; K390-E441 HydrophobicContact CB-CG 4.28Å; K390-E441 PolarHBondContact N-O 3.2Å; K390-E441 PolarHBondContact O-N 2.97Å; L392-E441 HydrophobicContact CD1-CB 4.25Å; L392-E441 HydrophobicContact CD2-CB 4.17Å; L392-E441 VanDerWaalsContact CD2-CD 3.42Å; L392-E441 HydrophobicContact CD2-CG 3.74Å; L392-E441 HydrophobicContact CG-CB 4.26Å; L392-E441 HydrophobicContact CG-CG 4.22Å
442	P	90.7	Very high	92.9	Very high	97 Å²	97	59.8 Å²	59.8	63%	0.63	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	145.6	168.1	-19.1	31.7	0	0	0	111.5
443	I	83.1	Confident	92.9	Very high	150 Å²	150	57.7 Å²	57.7	77%	0.769	31%	0.312	S	S	*	.			trans	-91.5	0	177.1	-55.9	177.5	0	0	0	111.3	R388 K390 L410	R388-I443 HydrophobicContact CB-CD1 4.06Å; R388-I443 PolarHBondContact O-N 3.04Å; R388-I443 VanDerWaalsContact O-N 3.14Å; K390-I443 HydrophobicContact CB-CD1 4.16Å; K390-I443 HydrophobicContact CB-CG1 4Å; L410-I443 HydrophobicContact CD2-CD1 3.53Å

Retrieved 443 of 443 residues in 127.5 ms (Link to these results)

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