A0A2K5LFT0_CERAT Loading...

Protein kinase C and casein kinase substrate in neurons protein 1

AlphaFold DB , UniProt , Accession A0A2K5LFT0, Species CERAT (Cercocebus atys, Sooty mangabey), Gene PACSIN1, Length 444 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	34.9	Very low	37.3	Very low	248 Å²	248	137.7 Å²	137.7	100%	1.222	81%	0.814	S	S	*	*				0	123.8	0	-64.6	-176.4	-173.8	0	0	107.6	G3	M1-G3 PolarHBondContact O-N 3.23Å
2	S	38.5	Very low	37.8	Very low	123 Å²	123	136.2 Å²	136.2	86%	0.86	81%	0.811	S	S	*	*			trans	-89	99	179.3	47.4	0	0	0	0	109.8	S4	S2-S4 PolarHBondContact O-N 3.06Å
3	G	31.7	Very low	39	Very low	69 Å²	69	135.5 Å²	135.5	71%	0.711	79%	0.794	S	S	*	*			trans	-75.5	114.9	166.7	0	0	0	0	0	109.3	M1 Y5	M1-G3 PolarHBondContact O-N 3.23Å; G3-Y5 PolarHBondContact O-N 3.03Å
4	S	33.9	Very low	39.7	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	80%	0.797	S	S	*	*			trans	-61.6	132.5	166.7	45	0	0	0	0	109	S2 D6	S2-S4 PolarHBondContact O-N 3.06Å; S4-D6 PolarHBondContact O-N 3.11Å
5	Y	34.4	Very low	40.9	Very low	196 Å²	196	138 Å²	138	77%	0.769	80%	0.797	S	S	*	*			trans	-65.7	117.2	163.7	-87.2	-100.6	0	0	0	107.5	G3 E7	G3-Y5 PolarHBondContact O-N 3.03Å; Y5-E7 PolarHBondContact O-N 2.9Å
6	D	36.6	Very low	43.3	Very low	152 Å²	152	133.6 Å²	133.6	81%	0.813	77%	0.773	S	S	*	*			trans	-60.3	110	163.8	-87	-40.3	0	0	0	108.1	S4 A8	S4-D6 PolarHBondContact O-N 3.11Å; D6-A8 PolarHBondContact O-N 3.03Å
7	E	38.4	Very low	46.1	Very low	184 Å²	184	135.3 Å²	135.3	86%	0.86	78%	0.779	S	S	*	*			trans	-66.3	84.9	163.5	-177	159.7	-149.6	0	0	106.9	Y5 S9	Y5-E7 PolarHBondContact O-N 2.9Å; E7-S9 PolarHBondContact O-N 3.11Å
8	A	40.4	Very low	48.9	Very low	88 Å²	88	130.1 Å²	130.1	73%	0.727	75%	0.751	S	S	*	*			trans	-50.8	110	-179.7	0	0	0	0	0	108.7	D6 L10	D6-A8 PolarHBondContact O-N 3.03Å; A8-L10 PolarHBondContact O-N 3.05Å
9	S	40.1	Very low	51.4	Low	109 Å²	109	125.8 Å²	125.8	76%	0.762	72%	0.723	S	S	*	*			trans	-51.1	109	-176.4	52.3	0	0	0	0	109.4	E7 A11	E7-S9 PolarHBondContact O-N 3.11Å; S9-A11 VanDerWaalsContact C-N 3.33Å; S9-A11 PolarHBondContact O-N 3.25Å
10	L	42.2	Very low	53.7	Low	163 Å²	163	123.8 Å²	123.8	85%	0.853	70%	0.703	S	S	*	*			trans	-55.9	109	153.3	-75	163.4	0	0	0	104.8	A8	A8-L10 PolarHBondContact O-N 3.05Å
11	A	39.5	Very low	55.7	Low	78 Å²	78	121.7 Å²	121.7	65%	0.645	69%	0.687	S	S	*	*			trans	-51.1	138.8	171.1	0	0	0	0	0	107.5	S9 E13	S9-A11 VanDerWaalsContact C-N 3.33Å; S9-A11 PolarHBondContact O-N 3.25Å; A11-E13 PolarHBondContact O-N 3.08Å; A11-E13 VanDerWaalsContact O-N 3.16Å
12	P	42.8	Very low	58.6	Low	119 Å²	119	113.8 Å²	113.8	77%	0.773	65%	0.653	S	S	*	*			trans	-51.3	128.8	173.1	-21.6	32	0	0	0	107.9	E14	P12-E14 PolarHBondContact O-N 2.91Å
13	E	53.5	Low	61.3	Low	127 Å²	127	108.5 Å²	108.5	59%	0.593	62%	0.618	S	S	*	*			trans	-59.9	110.4	168.8	-71.4	-176.2	141.1	0	0	105.8	A11 T15 K157	A11-E13 PolarHBondContact O-N 3.08Å; A11-E13 VanDerWaalsContact O-N 3.16Å; E13-T15 PolarHBondContact O-N 3.44Å; E13-K157 IonicContact OE1-NZ 3.26Å; E13-K157 PolarHBondContact OE1-NZ 3.44Å
14	E	49.1	Very low	64.5	Low	180 Å²	180	108 Å²	108	84%	0.841	60%	0.599	S	S	*	*			trans	-63.4	91.6	174.1	-76.3	-172.8	151.1	0	0	107.4	P12 T16	P12-E14 PolarHBondContact O-N 2.91Å; E14-T16 VanDerWaalsContact C-N 3.29Å; E14-T16 WeakPolarHBondContact O-CG2 3.34Å; E14-T16 PolarHBondContact O-N 3.02Å
15	T	57.7	Low	67.5	Low	129 Å²	129	103.6 Å²	103.6	79%	0.791	57%	0.566	S	S	*	*			trans	-67	93	173.1	50.6	0	0	0	0	107.5	E13	E13-T15 PolarHBondContact O-N 3.44Å
16	T	79.8	Confident	70.5	Confident	67 Å²	67	100.3 Å²	100.3	41%	0.411	56%	0.556	S	S	.	*			trans	-68.6	138.1	-178.8	78.2	0	0	0	0	109.8	E14 S18 E21 N24	E14-T16 VanDerWaalsContact C-N 3.29Å; E14-T16 WeakPolarHBondContact O-CG2 3.34Å; E14-T16 PolarHBondContact O-N 3.02Å; T16-S18 PolarHBondContact O-N 2.86Å; T16-S18 WeakPolarHBondContact OG1-CB 3.49Å; T16-E21 WeakPolarHBondContact O-CG 3.46Å; T16-N24 PolarHBondContact O-ND2 2.98Å
17	D	90.4	Very high	73.4	Confident	163 Å²	163	103.5 Å²	103.5	87%	0.872	56%	0.557	S	S	*	*			trans	-74.4	25.3	171.1	-75.6	-28.7	0	0	0	112.4
18	S	95.8	Very high	76.3	Confident	41 Å²	41	95.4 Å²	95.4	29%	0.287	52%	0.52	S	S	.	.			trans	-65.6	138.4	179.6	178.5	0	0	0	0	110.8	T16 W20 E21 N24	T16-S18 PolarHBondContact O-N 2.86Å; T16-S18 WeakPolarHBondContact OG1-CB 3.49Å; S18-W20 PolarHBondContact O-N 3.21Å; S18-W20 VanDerWaalsContact O-N 3.15Å; S18-W20 PolarHBondContact OG-N 2.97Å; S18-E21 PolarHBondContact O-N 3.25Å; S18-E21 VanDerWaalsContact O-N 3.16Å; S18-N24 WeakPolarHBondContact O-CB 3.33Å; S18-N24 PolarHBondContact O-ND2 3.32Å
19	F	97.5	Very high	79.1	Confident	50 Å²	50	91.7 Å²	91.7	22%	0.219	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-31	172.9	168	-100.7	0	0	0	112.8	E21 F139 M227 F231	F19-E21 VanDerWaalsContact C-N 3.27Å; F19-E21 PolarHBondContact O-N 3.49Å; F19-F139 HydrophobicContact CE2-CE1 4.1Å; F19-F139 HydrophobicContact CE2-CZ 4.37Å; F19-F139 AromaticContact CZ-CE1 3.86Å; F19-F139 HydrophobicContact CZ-CE1 3.86Å; F19-F139 HydrophobicContact CZ-CZ 4.49Å; F19-M227 HydrophobicContact CE1-CB 4.24Å; F19-M227 HydrophobicContact CE1-CE 4.1Å; F19-M227 HydrophobicContact CE2-CE 4.35Å; F19-M227 HydrophobicContact CZ-CB 4.41Å; F19-M227 HydrophobicContact CZ-CE 3.76Å; F19-F231 AromaticContact CE2-CD2 3.9Å; F19-F231 HydrophobicContact CE2-CD2 3.9Å; F19-F231 HydrophobicContact CZ-CB 4.23Å; F19-F231 HydrophobicContact CZ-CD2 4.06Å; F19-F231 HydrophobicContact CZ-CG 4.42Å
20	W	97.3	Very high	81.9	Confident	85 Å²	85	92 Å²	92	32%	0.322	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-14	-176.4	-60	116	0	0	0	114.3	S18 Y223 M224 M227 E228	S18-W20 PolarHBondContact O-N 3.21Å; S18-W20 VanDerWaalsContact O-N 3.15Å; S18-W20 PolarHBondContact OG-N 2.97Å; W20-Y223 HydrophobicContact CE3-CE1 4.03Å; W20-Y223 PolarHBondContact O-OH 3.43Å; W20-M224 HydrophobicContact CE3-CG 4.35Å; W20-M224 HydrophobicContact CH2-CB 4.03Å; W20-M224 HydrophobicContact CH2-CE 4.11Å; W20-M224 HydrophobicContact CH2-CG 3.95Å; W20-M224 HydrophobicContact CZ2-CE 3.97Å; W20-M224 HydrophobicContact CZ3-CB 4.1Å; W20-M224 HydrophobicContact CZ3-CG 3.85Å; W20-M227 HydrophobicContact CZ3-CB 3.89Å; W20-M227 HydrophobicContact CZ3-CG 4.42Å; W20-E228 HydrophobicContact CH2-CG 3.94Å; W20-E228 WeakPolarHBondContact CH2-OE1 3.39Å
21	E	95.8	Very high	84.5	Confident	79 Å²	79	87.6 Å²	87.6	37%	0.369	45%	0.448	S	S	.	.	S	Bend	trans	-70	157.9	176.4	-69.7	-58.4	158.1	0	0	112.7	T16 S18 F19 G23 N24 Q143	T16-E21 WeakPolarHBondContact O-CG 3.46Å; S18-E21 PolarHBondContact O-N 3.25Å; S18-E21 VanDerWaalsContact O-N 3.16Å; F19-E21 VanDerWaalsContact C-N 3.27Å; F19-E21 PolarHBondContact O-N 3.49Å; E21-G23 PolarHBondContact O-N 3.32Å; E21-N24 HydrophobicContact CB-CB 4.24Å; E21-N24 PolarHBondContact O-N 2.97Å; E21-Q143 PolarHBondContact O-NE2 2.92Å
22	V	95.6	Very high	87.4	Confident	83 Å²	83	84.3 Å²	84.3	50%	0.503	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	109.2	-174	-178.1	0	0	0	0	110.9	Q143 W146 A147	V22-Q143 VanDerWaalsContact CA-OE1 3.31Å; V22-W146 HydrophobicContact CG2-CE3 4.4Å; V22-W146 HydrophobicContact CG2-CZ3 3.89Å; V22-A147 HydrophobicContact CG1-CB 4Å; V22-A147 HydrophobicContact CG2-CB 3.98Å
23	G	95.5	Very high	90	Very high	12 Å²	12	81.4 Å²	81.4	12%	0.124	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-2.3	-178.7	0	0	0	0	0	116.5	E21 Y25 K26	E21-G23 PolarHBondContact O-N 3.32Å; G23-Y25 PolarHBondContact O-N 2.71Å; G23-K26 WeakPolarHBondContact O-CB 3.37Å; G23-K26 WeakPolarHBondContact O-CD 3.44Å; G23-K26 WeakPolarHBondContact O-CG 2.97Å; G23-K26 PolarHBondContact O-N 3.31Å
24	N	97.4	Very high	92.1	Very high	57 Å²	57	77.8 Å²	77.8	31%	0.305	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-13.1	-177.9	-81.8	7.4	0	0	0	114	T16 S18 E21 K26 R27	T16-N24 PolarHBondContact O-ND2 2.98Å; S18-N24 WeakPolarHBondContact O-CB 3.33Å; S18-N24 PolarHBondContact O-ND2 3.32Å; E21-N24 HydrophobicContact CB-CB 4.24Å; E21-N24 PolarHBondContact O-N 2.97Å; N24-K26 PolarHBondContact O-N 3.31Å; N24-R27 PolarHBondContact O-N 3.49Å
25	Y	98.2	Very high	94.5	Very high	14 Å²	14	69.3 Å²	69.3	6%	0.055	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-16.5	168	61.9	-103.5	0	0	0	114.2	G23 R27 T28 V29 E136 F139 Q143 M227	G23-Y25 PolarHBondContact O-N 2.71Å; Y25-R27 PolarHBondContact O-N 3.5Å; Y25-R27 VanDerWaalsContact O-N 3.09Å; Y25-T28 WeakPolarHBondContact O-CA 3.44Å; Y25-T28 VanDerWaalsContact O-CB 3.31Å; Y25-T28 WeakPolarHBondContact O-CB 3.47Å; Y25-T28 PolarHBondContact O-N 3.31Å; Y25-V29 HydrophobicContact CD2-CG2 4.03Å; Y25-V29 PolarHBondContact O-N 3.19Å; Y25-E136 WeakPolarHBondContact CE2-OE2 3.47Å; Y25-F139 HydrophobicContact CD1-CB 3.84Å; Y25-F139 HydrophobicContact CD1-CG 4.34Å; Y25-F139 HydrophobicContact CD2-CB 3.37Å; Y25-F139 AromaticContact CD2-CD2 3.65Å; Y25-F139 HydrophobicContact CD2-CD2 3.65Å; Y25-F139 AromaticContact CD2-CG 3.65Å; Y25-F139 HydrophobicContact CD2-CG 3.65Å; Y25-F139 HydrophobicContact CE1-CB 3.96Å; Y25-F139 HydrophobicContact CE2-CB 3.54Å; Y25-F139 HydrophobicContact CE2-CD2 4.44Å; Y25-F139 HydrophobicContact CE2-CG 4.31Å; Y25-F139 HydrophobicContact CG-CB 3.54Å; Y25-F139 HydrophobicContact CG-CD1 4.17Å; Y25-F139 HydrophobicContact CG-CD2 4.01Å; Y25-F139 AromaticContact CG-CG 3.67Å; Y25-F139 HydrophobicContact CG-CG 3.67Å; Y25-Q143 VanDerWaalsContact CE1-OE1 3.31Å; Y25-M227 HydrophobicContact CD1-CE 3.9Å; Y25-M227 HydrophobicContact CG-CE 4.35Å
26	K	97.9	Very high	96.5	Very high	126 Å²	126	64.3 Å²	64.3	55%	0.548	31%	0.31	S	S	.	.	H	α-helix	trans	-52.9	-29.7	176.3	-76.3	171	-175.8	176.3	0	113.7	G23 N24 T28 V29 K30	G23-K26 WeakPolarHBondContact O-CB 3.37Å; G23-K26 WeakPolarHBondContact O-CD 3.44Å; G23-K26 WeakPolarHBondContact O-CG 2.97Å; G23-K26 PolarHBondContact O-N 3.31Å; N24-K26 PolarHBondContact O-N 3.31Å; K26-T28 VanDerWaalsContact C-N 3.29Å; K26-T28 PolarHBondContact O-N 3.23Å; K26-V29 PolarHBondContact O-N 3.27Å; K26-K30 VanDerWaalsContact O-CB 3.31Å; K26-K30 WeakPolarHBondContact O-CB 3.49Å; K26-K30 PolarHBondContact O-N 3.43Å
27	R	97.6	Very high	97.4	Very high	220 Å²	220	68.5 Å²	68.5	83%	0.83	32%	0.318	S	S	*	.	H	α-helix	trans	-62.1	-38.3	174.5	-173.9	177.1	178.7	-178	0	111.8	N24 Y25 R31	N24-R27 PolarHBondContact O-N 3.49Å; Y25-R27 PolarHBondContact O-N 3.5Å; Y25-R27 VanDerWaalsContact O-N 3.09Å; R27-R31 PolarHBondContact O-N 2.95Å
28	T	98.5	Very high	97.7	Very high	14 Å²	14	64.4 Å²	64.4	9%	0.086	30%	0.296	C	S	.	.	H	α-helix	trans	-70.4	-44.2	175.8	-51.9	0	0	0	0	111.3	Y25 K26 R31 F139 F231 C234	Y25-T28 WeakPolarHBondContact O-CA 3.44Å; Y25-T28 VanDerWaalsContact O-CB 3.31Å; Y25-T28 WeakPolarHBondContact O-CB 3.47Å; Y25-T28 PolarHBondContact O-N 3.31Å; K26-T28 VanDerWaalsContact C-N 3.29Å; K26-T28 PolarHBondContact O-N 3.23Å; T28-R31 WeakPolarHBondContact O-CB 3.46Å; T28-R31 PolarHBondContact O-N 3.22Å; T28-F139 HydrophobicContact CG2-CE2 4.16Å; T28-F139 HydrophobicContact CG2-CZ 4.07Å; T28-F231 HydrophobicContact CG2-CD2 3.79Å; T28-F231 HydrophobicContact CG2-CE2 3.93Å; T28-C234 HydrophobicContact CG2-CB 3.62Å
29	V	98.6	Very high	97.9	Very high	9 Å²	9	62.4 Å²	62.4	6%	0.055	28%	0.282	C	S	.	.	H	α-helix	trans	-61.5	-47.4	177.4	176.5	0	0	0	0	111	Y25 K26 R31 I32 T132 A135 E136 F139	Y25-V29 HydrophobicContact CD2-CG2 4.03Å; Y25-V29 PolarHBondContact O-N 3.19Å; K26-V29 PolarHBondContact O-N 3.27Å; V29-R31 PolarHBondContact O-N 3.2Å; V29-I32 VanDerWaalsContact O-CB 3.31Å; V29-I32 WeakPolarHBondContact O-CB 3.3Å; V29-I32 PolarHBondContact O-N 3.4Å; V29-T132 HydrophobicContact CG1-CG2 3.55Å; V29-A135 HydrophobicContact CG2-CB 4.24Å; V29-E136 HydrophobicContact CG1-CB 4.16Å; V29-F139 HydrophobicContact CG2-CD2 3.63Å; V29-F139 HydrophobicContact CG2-CE2 3.9Å
30	K	98.4	Very high	98	Very high	116 Å²	116	62.7 Å²	62.7	50%	0.504	29%	0.286	S	S	.	.	H	α-helix	trans	-57.3	-33.9	177.6	-166.8	-156.8	170.4	-133.3	0	112.7	K26 I32 D33 D34	K26-K30 VanDerWaalsContact O-CB 3.31Å; K26-K30 WeakPolarHBondContact O-CB 3.49Å; K26-K30 PolarHBondContact O-N 3.43Å; K30-I32 PolarHBondContact O-N 3.13Å; K30-I32 VanDerWaalsContact O-N 3.12Å; K30-D33 PolarHBondContact O-N 2.99Å; K30-D33 VanDerWaalsContact O-N 3.1Å; K30-D34 WeakPolarHBondContact CD-OD2 3.49Å; K30-D34 WeakPolarHBondContact CE-OD1 3.46Å; K30-D34 WeakPolarHBondContact CE-OD2 3.36Å; K30-D34 IonicContact NZ-OD1 2.84Å; K30-D34 PolarHBondContact NZ-OD1 3.02Å; K30-D34 IonicContact NZ-OD2 3.82Å; K30-D34 PolarHBondContact NZ-OD2 2.82Å; K30-D34 PolarHBondContact O-N 3.01Å
31	R	98.6	Very high	98	Very high	71 Å²	71	61.7 Å²	61.7	27%	0.268	29%	0.287	S	S	.	.	H	α-helix	trans	-58.1	-26.2	177.8	-165.4	-179.9	67.5	-169.1	-0.6	112.6	R27 T28 V29 G35 C234 Q235	R27-R31 PolarHBondContact O-N 2.95Å; T28-R31 WeakPolarHBondContact O-CB 3.46Å; T28-R31 PolarHBondContact O-N 3.22Å; V29-R31 PolarHBondContact O-N 3.2Å; R31-G35 PolarHBondContact O-N 2.88Å; R31-C234 PolarHBondContact NH2-O 2.67Å; R31-Q235 VanDerWaalsContact CZ-OE1 3.29Å
32	I	98.6	Very high	98.2	Very high	9 Å²	9	59.3 Å²	59.3	5%	0.046	28%	0.277	C	S	.	.	H	α-helix	trans	-67	-50.8	175.6	-58	171.9	0	0	0	110	V29 K30 G35 H36 Y121 E131 T132 A135 F237	V29-I32 VanDerWaalsContact O-CB 3.31Å; V29-I32 WeakPolarHBondContact O-CB 3.3Å; V29-I32 PolarHBondContact O-N 3.4Å; K30-I32 PolarHBondContact O-N 3.13Å; K30-I32 VanDerWaalsContact O-N 3.12Å; I32-G35 PolarHBondContact O-N 2.77Å; I32-H36 PolarHBondContact O-N 3.47Å; I32-Y121 HydrophobicContact CG2-CD1 4.48Å; I32-Y121 HydrophobicContact CG2-CE1 3.94Å; I32-Y121 WeakPolarHBondContact O-CE1 3.48Å; I32-Y121 PolarHBondContact O-OH 3.34Å; I32-E131 HydrophobicContact CG2-CB 4.02Å; I32-T132 WeakPolarHBondContact CG2-OG1 3.06Å; I32-A135 HydrophobicContact CD1-CB 3.5Å; I32-F237 HydrophobicContact CG2-CD1 4.44Å; I32-F237 HydrophobicContact CG2-CE1 3.92Å
33	D	98.1	Very high	98.3	Very high	58 Å²	58	56.2 Å²	56.2	31%	0.31	26%	0.257	S	S	.	.	H	α-helix	trans	-63.7	-44.4	176.4	-62	-30.8	0	0	0	111.7	K30 G35 H36 R37 F129 T132	K30-D33 PolarHBondContact O-N 2.99Å; K30-D33 VanDerWaalsContact O-N 3.1Å; D33-G35 PolarHBondContact O-N 3.47Å; D33-H36 PolarHBondContact O-N 3.15Å; D33-R37 PolarHBondContact O-N 3.24Å; D33-R37 VanDerWaalsContact O-N 3.08Å; D33-F129 WeakPolarHBondContact OD1-CD2 3.36Å; D33-T132 WeakPolarHBondContact OD1-CB 3.07Å; D33-T132 WeakPolarHBondContact OD1-CG2 3.27Å; D33-T132 PolarHBondContact OD1-OG1 3.03Å; D33-T132 WeakPolarHBondContact OD2-CG2 3.41Å
34	D	98.6	Very high	98.5	Very high	51 Å²	51	59.3 Å²	59.3	27%	0.273	27%	0.27	S	S	.	.	H	α-helix	trans	-60.2	-34.6	175.7	-72.9	-25.8	0	0	0	110.4	K30 R37 L38	K30-D34 WeakPolarHBondContact CD-OD2 3.49Å; K30-D34 WeakPolarHBondContact CE-OD1 3.46Å; K30-D34 WeakPolarHBondContact CE-OD2 3.36Å; K30-D34 IonicContact NZ-OD1 2.84Å; K30-D34 PolarHBondContact NZ-OD1 3.02Å; K30-D34 IonicContact NZ-OD2 3.82Å; K30-D34 PolarHBondContact NZ-OD2 2.82Å; K30-D34 PolarHBondContact O-N 3.01Å; D34-R37 WeakPolarHBondContact O-CB 3.25Å; D34-R37 PolarHBondContact O-N 3.06Å; D34-L38 VanDerWaalsContact O-CG 3.29Å; D34-L38 WeakPolarHBondContact O-CG 3.47Å; D34-L38 PolarHBondContact O-N 3.01Å
35	G	98.7	Very high	98.6	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-62.8	-43.4	174.5	0	0	0	0	0	113.8	R31 I32 D33 R37 L38 C39 Y121	R31-G35 PolarHBondContact O-N 2.88Å; I32-G35 PolarHBondContact O-N 2.77Å; D33-G35 PolarHBondContact O-N 3.47Å; G35-R37 VanDerWaalsContact C-N 3.34Å; G35-L38 PolarHBondContact O-N 2.78Å; G35-C39 PolarHBondContact O-N 3.27Å; G35-Y121 WeakPolarHBondContact CA-OH 3.17Å
36	H	98.8	Very high	98.6	Very high	24 Å²	24	59.9 Å²	59.9	11%	0.111	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-42.5	173.4	171.8	-73.4	0	0	0	110.9	I32 D33 C39 N40 Q117 Y121 F129	I32-H36 PolarHBondContact O-N 3.47Å; D33-H36 PolarHBondContact O-N 3.15Å; H36-C39 WeakPolarHBondContact O-CB 3.42Å; H36-C39 PolarHBondContact O-N 3.04Å; H36-N40 PolarHBondContact O-N 2.85Å; H36-Q117 PolarHBondContact CE1-NE2 3.35Å; H36-Q117 PolarHBondContact O-NE2 3.32Å; H36-Y121 HydrophobicContact CB-CD1 3.87Å; H36-Y121 HydrophobicContact CB-CD2 3.9Å; H36-Y121 HydrophobicContact CB-CE1 3.86Å; H36-Y121 HydrophobicContact CB-CE2 3.9Å; H36-Y121 HydrophobicContact CB-CG 3.88Å; H36-Y121 AromaticContact CD2-CD2 3.91Å; H36-Y121 AromaticContact CD2-CG 3.8Å; H36-Y121 PolarHBondContact N-OH 2.84Å; H36-F129 HydrophobicContact CB-CE2 3.92Å; H36-F129 HydrophobicContact CB-CZ 3.97Å; H36-F129 AromaticContact CD2-CE1 3.44Å; H36-F129 VanDerWaalsContact CD2-CE1 3.44Å; H36-F129 WeakPolarHBondContact CD2-CE1 3.37Å; H36-F129 AromaticContact CD2-CZ 3.24Å; H36-F129 WeakPolarHBondContact CD2-CZ 3.47Å; H36-F129 AromaticContact CE1-CZ 3.69Å; H36-F129 AromaticContact CG-CE2 3.8Å; H36-F129 AromaticContact CG-CZ 3.34Å; H36-F129 AromaticContact ND1-CZ 3.61Å; H36-F129 AromaticContact NE2-CE1 3.67Å; H36-F129 AromaticContact NE2-CZ 3.46Å; H36-F129 WeakPolarHBondContact NE2-CZ 2.88Å
37	R	98.6	Very high	98.6	Very high	155 Å²	155	58 Å²	58	59%	0.585	27%	0.273	S	S	*	.	H	α-helix	trans	-59.1	-47	176.4	178	-171.5	165.4	166.1	3.1	111.2	D33 D34 G35 C39 N40 D41	D33-R37 PolarHBondContact O-N 3.24Å; D33-R37 VanDerWaalsContact O-N 3.08Å; D34-R37 WeakPolarHBondContact O-CB 3.25Å; D34-R37 PolarHBondContact O-N 3.06Å; G35-R37 VanDerWaalsContact C-N 3.34Å; R37-C39 PolarHBondContact O-N 2.97Å; R37-N40 WeakPolarHBondContact O-CA 3.47Å; R37-N40 VanDerWaalsContact O-CB 3.29Å; R37-N40 WeakPolarHBondContact O-CB 3.4Å; R37-N40 PolarHBondContact O-N 2.97Å; R37-D41 IonicContact NE-OD2 3.76Å; R37-D41 PolarHBondContact NE-OD2 3Å; R37-D41 PolarHBondContact O-N 3.34Å
38	L	98.8	Very high	98.7	Very high	77 Å²	77	52.9 Å²	52.9	40%	0.403	26%	0.259	S	S	.	.	H	α-helix	trans	-60.5	-29.2	179.5	-72.8	168.8	0	0	0	113.1	D34 G35 D41 L42	D34-L38 VanDerWaalsContact O-CG 3.29Å; D34-L38 WeakPolarHBondContact O-CG 3.47Å; D34-L38 PolarHBondContact O-N 3.01Å; G35-L38 PolarHBondContact O-N 2.78Å; L38-D41 PolarHBondContact O-N 3.04Å; L38-L42 PolarHBondContact O-N 2.95Å
39	C	98.8	Very high	98.7	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-38.6	170	-67.7	0	0	0	0	112.3	G35 H36 R37 M43 V113 Q117	G35-C39 PolarHBondContact O-N 3.27Å; H36-C39 WeakPolarHBondContact O-CB 3.42Å; H36-C39 PolarHBondContact O-N 3.04Å; R37-C39 PolarHBondContact O-N 2.97Å; C39-M43 VanDerWaalsContact O-CG 3.31Å; C39-M43 WeakPolarHBondContact O-CG 3.48Å; C39-M43 PolarHBondContact O-N 2.82Å; C39-V113 HydrophobicContact CB-CG1 3.93Å; C39-Q117 HydrophobicContact CB-CB 4.15Å; C39-Q117 HydrophobicContact CB-CG 4Å
40	N	98.8	Very high	98.7	Very high	56 Å²	56	56.7 Å²	56.7	30%	0.299	27%	0.271	S	S	.	.	H	α-helix	trans	-65	-44.8	171.8	-66.2	-27.6	0	0	0	111.5	H36 R37 L42 M43 N44 Q117	H36-N40 PolarHBondContact O-N 2.85Å; R37-N40 WeakPolarHBondContact O-CA 3.47Å; R37-N40 VanDerWaalsContact O-CB 3.29Å; R37-N40 WeakPolarHBondContact O-CB 3.4Å; R37-N40 PolarHBondContact O-N 2.97Å; N40-L42 VanDerWaalsContact C-N 3.27Å; N40-L42 PolarHBondContact O-N 3.09Å; N40-M43 PolarHBondContact O-N 2.96Å; N40-M43 VanDerWaalsContact O-N 3.14Å; N40-M43 VanDerWaalsContact OD1-CE 3.31Å; N40-M43 WeakPolarHBondContact OD1-CE 3.43Å; N40-N44 WeakPolarHBondContact O-CB 3.47Å; N40-N44 VanDerWaalsContact O-CG 3.25Å; N40-N44 PolarHBondContact O-N 3.17Å; N40-N44 PolarHBondContact O-ND2 2.89Å; N40-Q117 PolarHBondContact OD1-NE2 3.16Å
41	D	98.9	Very high	98.7	Very high	64 Å²	64	56.8 Å²	56.8	34%	0.342	27%	0.271	S	S	.	.	H	α-helix	trans	-60.9	-39.2	-178.7	-60.9	-20.4	0	0	0	110.5	R37 L38 C45	R37-D41 IonicContact NE-OD2 3.76Å; R37-D41 PolarHBondContact NE-OD2 3Å; R37-D41 PolarHBondContact O-N 3.34Å; L38-D41 PolarHBondContact O-N 3.04Å; D41-C45 WeakPolarHBondContact O-CB 3.47Å; D41-C45 PolarHBondContact O-N 2.85Å
42	L	98.8	Very high	98.8	Very high	29 Å²	29	58.7 Å²	58.7	15%	0.152	29%	0.286	C	S	.	.	H	α-helix	trans	-66.9	-45.3	171.6	-178.7	62.1	0	0	0	112.9	L38 N40 N44 C45 V46 V113 L245 V248 L249	L38-L42 PolarHBondContact O-N 2.95Å; N40-L42 VanDerWaalsContact C-N 3.27Å; N40-L42 PolarHBondContact O-N 3.09Å; L42-N44 VanDerWaalsContact C-N 3.29Å; L42-N44 PolarHBondContact O-N 3.45Å; L42-C45 WeakPolarHBondContact O-CB 3.43Å; L42-C45 PolarHBondContact O-N 3.01Å; L42-V46 HydrophobicContact CD1-CG2 4.16Å; L42-V46 HydrophobicContact CG-CG2 4.41Å; L42-V46 WeakPolarHBondContact O-CG2 3.46Å; L42-V46 PolarHBondContact O-N 3.1Å; L42-V113 HydrophobicContact CD2-CG2 4Å; L42-L245 HydrophobicContact CD2-CD2 3.68Å; L42-V248 HydrophobicContact CD2-CG1 4.28Å; L42-L249 HydrophobicContact CD1-CD2 4.34Å
43	M	98.9	Very high	98.8	Very high	18 Å²	18	59 Å²	59	9%	0.089	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-41	177.7	-73.8	-174.1	-68.7	0	0	111.8	C39 N40 V46 Q47 L110 V113 K114	C39-M43 VanDerWaalsContact O-CG 3.31Å; C39-M43 WeakPolarHBondContact O-CG 3.48Å; C39-M43 PolarHBondContact O-N 2.82Å; N40-M43 PolarHBondContact O-N 2.96Å; N40-M43 VanDerWaalsContact O-N 3.14Å; N40-M43 VanDerWaalsContact OD1-CE 3.31Å; N40-M43 WeakPolarHBondContact OD1-CE 3.43Å; M43-V46 PolarHBondContact O-N 3.19Å; M43-Q47 VanDerWaalsContact O-CB 3.31Å; M43-Q47 WeakPolarHBondContact O-CB 3.22Å; M43-Q47 PolarHBondContact O-N 2.98Å; M43-L110 HydrophobicContact CB-CD1 4.4Å; M43-L110 HydrophobicContact CB-CG 4.08Å; M43-L110 HydrophobicContact CG-CG 4.04Å; M43-L110 WeakPolarHBondContact O-CD1 3.5Å; M43-L110 HydrophobicContact SD-CD2 4.38Å; M43-V113 HydrophobicContact CG-CB 3.86Å; M43-V113 HydrophobicContact CG-CG1 3.61Å; M43-V113 HydrophobicContact SD-CB 4.33Å; M43-V113 HydrophobicContact SD-CG1 4.1Å; M43-K114 HydrophobicContact SD-CB 3.56Å; M43-K114 VanDerWaalsContact SD-CB 3.56Å; M43-K114 HydrophobicContact SD-CG 4.17Å
44	N	98.9	Very high	98.8	Very high	76 Å²	76	61.6 Å²	61.6	41%	0.406	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-46.8	175.6	-68.1	-21.9	0	0	0	111.4	N40 L42 V46 Q47 E48	N40-N44 WeakPolarHBondContact O-CB 3.47Å; N40-N44 VanDerWaalsContact O-CG 3.25Å; N40-N44 PolarHBondContact O-N 3.17Å; N40-N44 PolarHBondContact O-ND2 2.89Å; L42-N44 VanDerWaalsContact C-N 3.29Å; L42-N44 PolarHBondContact O-N 3.45Å; N44-V46 PolarHBondContact O-N 3.25Å; N44-Q47 WeakPolarHBondContact O-CB 3.07Å; N44-Q47 PolarHBondContact O-N 2.85Å; N44-Q47 VanDerWaalsContact O-N 3.13Å; N44-E48 WeakPolarHBondContact O-CG 3.37Å; N44-E48 PolarHBondContact O-N 3.15Å
45	C	98.9	Very high	98.8	Very high	76 Å²	76	61.3 Å²	61.3	51%	0.514	30%	0.3	S	S	.	.	H	α-helix	trans	-57	-46	175.8	177.6	0	0	0	0	112.3	D41 L42 E48 R49	D41-C45 WeakPolarHBondContact O-CB 3.47Å; D41-C45 PolarHBondContact O-N 2.85Å; L42-C45 WeakPolarHBondContact O-CB 3.43Å; L42-C45 PolarHBondContact O-N 3.01Å; C45-E48 PolarHBondContact O-N 3.09Å; C45-R49 PolarHBondContact O-N 2.98Å
46	V	98.8	Very high	98.8	Very high	7 Å²	7	66.5 Å²	66.5	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-63.5	-41.7	175	172.9	0	0	0	0	111.2	L42 M43 N44 R49 A50 L105 L110 I252	L42-V46 HydrophobicContact CD1-CG2 4.16Å; L42-V46 HydrophobicContact CG-CG2 4.41Å; L42-V46 WeakPolarHBondContact O-CG2 3.46Å; L42-V46 PolarHBondContact O-N 3.1Å; M43-V46 PolarHBondContact O-N 3.19Å; N44-V46 PolarHBondContact O-N 3.25Å; V46-R49 PolarHBondContact O-N 3.33Å; V46-A50 WeakPolarHBondContact O-CB 3.47Å; V46-A50 PolarHBondContact O-N 2.87Å; V46-L105 HydrophobicContact CG1-CB 3.96Å; V46-L105 HydrophobicContact CG1-CD2 4.26Å; V46-L105 VanDerWaalsContact CG1-O 3.23Å; V46-L105 WeakPolarHBondContact CG1-O 3.46Å; V46-L110 HydrophobicContact CG1-CB 4.16Å; V46-I252 HydrophobicContact CG2-CD1 3.58Å; V46-I252 HydrophobicContact CG2-CG1 4.43Å
47	Q	98.8	Very high	98.8	Very high	86 Å²	86	65.3 Å²	65.3	40%	0.402	32%	0.315	S	S	.	.	H	α-helix	trans	-65.4	-38.8	178.3	-168	-176.2	6.6	0	0	112.4	M43 N44 A50 K51 L106 L110	M43-Q47 VanDerWaalsContact O-CB 3.31Å; M43-Q47 WeakPolarHBondContact O-CB 3.22Å; M43-Q47 PolarHBondContact O-N 2.98Å; N44-Q47 WeakPolarHBondContact O-CB 3.07Å; N44-Q47 PolarHBondContact O-N 2.85Å; N44-Q47 VanDerWaalsContact O-N 3.13Å; Q47-A50 PolarHBondContact O-N 3.44Å; Q47-K51 WeakPolarHBondContact O-CG 3.37Å; Q47-K51 PolarHBondContact O-N 2.9Å; Q47-K51 VanDerWaalsContact O-N 3.13Å; Q47-L106 HydrophobicContact CB-CD2 4.34Å; Q47-L106 HydrophobicContact CG-CD2 4.17Å; Q47-L110 HydrophobicContact CB-CD1 3.95Å; Q47-L110 HydrophobicContact CG-CD1 4.5Å
48	E	98.8	Very high	98.8	Very high	114 Å²	114	62 Å²	62	53%	0.533	31%	0.306	S	S	.	.	H	α-helix	trans	-66.6	-45.8	174.8	-75.5	171.5	-164.5	0	0	111.5	N44 C45 A50 K51 I52	N44-E48 WeakPolarHBondContact O-CG 3.37Å; N44-E48 PolarHBondContact O-N 3.15Å; C45-E48 PolarHBondContact O-N 3.09Å; E48-A50 VanDerWaalsContact C-N 3.31Å; E48-A50 PolarHBondContact O-N 3.39Å; E48-K51 WeakPolarHBondContact O-CB 3.4Å; E48-K51 PolarHBondContact O-N 3.28Å; E48-K51 VanDerWaalsContact O-N 3.08Å; E48-I52 PolarHBondContact O-N 3.28Å
49	R	98.9	Very high	98.8	Very high	100 Å²	100	64.7 Å²	64.7	38%	0.377	32%	0.316	S	S	.	.	H	α-helix	trans	-56.5	-46	173	178.9	57.6	-173.1	-93.5	3.2	111.6	C45 V46 K51 I52 E53 L105 L256	C45-R49 PolarHBondContact O-N 2.98Å; V46-R49 PolarHBondContact O-N 3.33Å; R49-K51 VanDerWaalsContact C-N 3.27Å; R49-K51 PolarHBondContact O-N 2.96Å; R49-I52 WeakPolarHBondContact O-CB 3.43Å; R49-I52 PolarHBondContact O-N 2.95Å; R49-E53 IonicContact CZ-OE1 3.69Å; R49-E53 IonicContact NE-OE1 3.22Å; R49-E53 PolarHBondContact NE-OE1 3.13Å; R49-E53 IonicContact NH2-OE1 3.82Å; R49-E53 PolarHBondContact NH2-OE1 3.46Å; R49-E53 WeakPolarHBondContact O-CG 3.35Å; R49-E53 PolarHBondContact O-N 2.97Å; R49-E53 VanDerWaalsContact O-N 3.14Å; R49-L105 HydrophobicContact CG-CD1 4.01Å; R49-L256 HydrophobicContact CG-CD2 4.29Å
50	A	98.9	Very high	98.8	Very high	2 Å²	2	66 Å²	66	2%	0.017	32%	0.323	C	S	.	.	H	α-helix	trans	-62.3	-29	177.6	0	0	0	0	0	113.7	V46 Q47 E48 K54 K102 L105 L106	V46-A50 WeakPolarHBondContact O-CB 3.47Å; V46-A50 PolarHBondContact O-N 2.87Å; Q47-A50 PolarHBondContact O-N 3.44Å; E48-A50 VanDerWaalsContact C-N 3.31Å; E48-A50 PolarHBondContact O-N 3.39Å; A50-K54 PolarHBondContact O-N 3.2Å; A50-K54 VanDerWaalsContact O-N 3.12Å; A50-K102 HydrophobicContact CB-CG 4.17Å; A50-K102 VanDerWaalsContact O-CG 3.31Å; A50-K102 WeakPolarHBondContact O-CG 3.43Å; A50-L105 HydrophobicContact CB-CB 4.2Å; A50-L105 HydrophobicContact CB-CD1 4.15Å; A50-L106 HydrophobicContact CB-CD1 4.27Å; A50-L106 HydrophobicContact CB-CD2 3.64Å; A50-L106 HydrophobicContact CB-CG 3.74Å
51	K	98.8	Very high	98.8	Very high	119 Å²	119	65.5 Å²	65.5	52%	0.517	32%	0.322	S	S	.	.	H	α-helix	trans	-66.8	-39.3	171.8	-68.2	166	-167	164.8	0	111.6	Q47 E48 R49 K54 A55	Q47-K51 WeakPolarHBondContact O-CG 3.37Å; Q47-K51 PolarHBondContact O-N 2.9Å; Q47-K51 VanDerWaalsContact O-N 3.13Å; E48-K51 WeakPolarHBondContact O-CB 3.4Å; E48-K51 PolarHBondContact O-N 3.28Å; E48-K51 VanDerWaalsContact O-N 3.08Å; R49-K51 VanDerWaalsContact C-N 3.27Å; R49-K51 PolarHBondContact O-N 2.96Å; K51-K54 PolarHBondContact O-N 2.98Å; K51-A55 WeakPolarHBondContact O-CB 3.42Å; K51-A55 PolarHBondContact O-N 3.49Å
52	I	98.9	Very high	98.8	Very high	111 Å²	111	66.3 Å²	66.3	57%	0.569	33%	0.327	S	S	*	.	H	α-helix	trans	-63.4	-49.5	177.7	-60.9	169.1	0	0	0	110	E48 R49 K54 A55 Y56	E48-I52 PolarHBondContact O-N 3.28Å; R49-I52 WeakPolarHBondContact O-CB 3.43Å; R49-I52 PolarHBondContact O-N 2.95Å; I52-K54 VanDerWaalsContact C-N 3.33Å; I52-K54 PolarHBondContact O-N 3.06Å; I52-A55 PolarHBondContact O-N 2.86Å; I52-A55 VanDerWaalsContact O-N 3.08Å; I52-Y56 PolarHBondContact O-N 2.92Å
53	E	98.9	Very high	98.8	Very high	14 Å²	14	69.7 Å²	69.7	7%	0.065	34%	0.338	C	S	.	.	H	α-helix	trans	-56.3	-46	177.1	-61.3	-57.7	157.5	0	0	111.8	R49 A55 Y56 G57 H98 V101 K102 L105	R49-E53 IonicContact CZ-OE1 3.69Å; R49-E53 IonicContact NE-OE1 3.22Å; R49-E53 PolarHBondContact NE-OE1 3.13Å; R49-E53 IonicContact NH2-OE1 3.82Å; R49-E53 PolarHBondContact NH2-OE1 3.46Å; R49-E53 WeakPolarHBondContact O-CG 3.35Å; R49-E53 PolarHBondContact O-N 2.97Å; R49-E53 VanDerWaalsContact O-N 3.14Å; E53-A55 VanDerWaalsContact C-N 3.35Å; E53-A55 PolarHBondContact O-N 2.93Å; E53-Y56 PolarHBondContact O-N 3.33Å; E53-G57 PolarHBondContact O-N 3.38Å; E53-H98 IonicContact OE2-CE1 3.53Å; E53-H98 PolarHBondContact OE2-CE1 3.19Å; E53-H98 IonicContact OE2-CG 3.53Å; E53-H98 IonicContact OE2-ND1 3.59Å; E53-H98 PolarHBondContact OE2-ND1 2.84Å; E53-V101 HydrophobicContact CG-CG1 3.99Å; E53-K102 HydrophobicContact CB-CB 3.94Å; E53-L105 HydrophobicContact CG-CD1 4.29Å
54	K	98.8	Very high	98.8	Very high	113 Å²	113	68.9 Å²	68.9	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-58.2	-45.4	174.3	-176	-177.2	175.2	-171.4	0	112.3	A50 K51 I52 Q58 Q99 K102	A50-K54 PolarHBondContact O-N 3.2Å; A50-K54 VanDerWaalsContact O-N 3.12Å; K51-K54 PolarHBondContact O-N 2.98Å; I52-K54 VanDerWaalsContact C-N 3.33Å; I52-K54 PolarHBondContact O-N 3.06Å; K54-Q58 WeakPolarHBondContact O-CB 3.41Å; K54-Q58 PolarHBondContact O-N 3.43Å; K54-Q99 PolarHBondContact O-NE2 2.93Å; K54-K102 HydrophobicContact CB-CG 4.16Å
55	A	98.8	Very high	98.8	Very high	46 Å²	46	71 Å²	71	38%	0.38	34%	0.339	S	S	.	.	H	α-helix	trans	-69.4	-34	-174.6	0	0	0	0	0	112.5	K51 I52 E53 Q59	K51-A55 WeakPolarHBondContact O-CB 3.42Å; K51-A55 PolarHBondContact O-N 3.49Å; I52-A55 PolarHBondContact O-N 2.86Å; I52-A55 VanDerWaalsContact O-N 3.08Å; E53-A55 VanDerWaalsContact C-N 3.35Å; E53-A55 PolarHBondContact O-N 2.93Å; A55-Q59 WeakPolarHBondContact O-CG 3.02Å; A55-Q59 PolarHBondContact O-N 3.45Å; A55-Q59 PolarHBondContact O-NE2 3.16Å; A55-Q59 VanDerWaalsContact O-NE2 3.08Å
56	Y	98.9	Very high	98.8	Very high	109 Å²	109	75.3 Å²	75.3	43%	0.427	35%	0.345	S	S	.	.	H	α-helix	trans	-67.1	-51.4	173.5	178.8	-115.7	0	0	0	111.4	I52 E53 Q58 Q59 L60 V94 H98	I52-Y56 PolarHBondContact O-N 2.92Å; E53-Y56 PolarHBondContact O-N 3.33Å; Y56-Q58 VanDerWaalsContact C-N 3.33Å; Y56-Q58 PolarHBondContact O-N 2.85Å; Y56-Q59 PolarHBondContact O-N 2.75Å; Y56-Q59 VanDerWaalsContact O-N 3.15Å; Y56-L60 HydrophobicContact CD1-CD1 4.13Å; Y56-L60 HydrophobicContact CE1-CD1 3.59Å; Y56-L60 HydrophobicContact CE1-CG 4.34Å; Y56-L60 HydrophobicContact CE2-CD1 4.36Å; Y56-L60 HydrophobicContact CE2-CD2 4.37Å; Y56-L60 HydrophobicContact CE2-CG 4.27Å; Y56-L60 PolarHBondContact O-N 3Å; Y56-L60 VanDerWaalsContact O-N 3.08Å; Y56-V94 HydrophobicContact CE1-CG1 4.25Å; Y56-H98 HydrophobicContact CD1-CB 4.49Å; Y56-H98 AromaticContact CD1-CD2 3.73Å; Y56-H98 AromaticContact CD1-CE1 3.69Å; Y56-H98 AromaticContact CD1-CG 3.75Å; Y56-H98 AromaticContact CD1-ND1 3.72Å; Y56-H98 AromaticContact CD1-NE2 3.7Å; Y56-H98 AromaticContact CE1-CD2 3.7Å; Y56-H98 AromaticContact CE1-CE1 3.85Å; Y56-H98 AromaticContact CE1-NE2 3.46Å; Y56-H98 WeakPolarHBondContact CE1-NE2 3.44Å
57	G	98.6	Very high	98.8	Very high	0 Å²	0	79.4 Å²	79.4	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-58	-43.7	176.8	0	0	0	0	0	112.8	E53 Q59 L60 T61 S95	E53-G57 PolarHBondContact O-N 3.38Å; G57-Q59 VanDerWaalsContact C-N 3.33Å; G57-Q59 PolarHBondContact O-N 3.39Å; G57-L60 WeakPolarHBondContact O-CB 3.39Å; G57-L60 PolarHBondContact O-N 3.34Å; G57-L60 VanDerWaalsContact O-N 3.16Å; G57-T61 PolarHBondContact O-N 2.91Å; G57-T61 PolarHBondContact O-OG1 3.43Å; G57-S95 WeakPolarHBondContact CA-OG 3.33Å; G57-S95 WeakPolarHBondContact O-CB 3.22Å; G57-S95 PolarHBondContact O-OG 3.25Å
58	Q	98.8	Very high	98.8	Very high	84 Å²	84	78.6 Å²	78.6	39%	0.393	35%	0.352	S	S	.	.	H	α-helix	trans	-57.9	-43.5	176.7	-174.8	60.2	59.3	0	0	112.5	K54 Y56 T61 D62	K54-Q58 WeakPolarHBondContact O-CB 3.41Å; K54-Q58 PolarHBondContact O-N 3.43Å; Y56-Q58 VanDerWaalsContact C-N 3.33Å; Y56-Q58 PolarHBondContact O-N 2.85Å; Q58-T61 PolarHBondContact O-N 2.99Å; Q58-D62 VanDerWaalsContact NE2-CG 3.3Å; Q58-D62 PolarHBondContact NE2-OD1 3.46Å; Q58-D62 PolarHBondContact NE2-OD2 3.34Å; Q58-D62 PolarHBondContact O-N 2.91Å
59	Q	98.9	Very high	98.7	Very high	134 Å²	134	77.4 Å²	77.4	63%	0.626	35%	0.347	S	S	*	.	H	α-helix	trans	-64.4	-38.8	177.3	-76.7	174.2	82.2	0	0	112.5	A55 Y56 G57 W63	A55-Q59 WeakPolarHBondContact O-CG 3.02Å; A55-Q59 PolarHBondContact O-N 3.45Å; A55-Q59 PolarHBondContact O-NE2 3.16Å; A55-Q59 VanDerWaalsContact O-NE2 3.08Å; Y56-Q59 PolarHBondContact O-N 2.75Å; Y56-Q59 VanDerWaalsContact O-N 3.15Å; G57-Q59 VanDerWaalsContact C-N 3.33Å; G57-Q59 PolarHBondContact O-N 3.39Å; Q59-W63 VanDerWaalsContact O-CB 3.23Å; Q59-W63 WeakPolarHBondContact O-CB 3.4Å; Q59-W63 PolarHBondContact O-N 3.23Å
60	L	98.9	Very high	98.7	Very high	28 Å²	28	76.9 Å²	76.9	15%	0.147	35%	0.351	C	S	.	.	H	α-helix	trans	-61.8	-47	173.7	-70.3	175.9	0	0	0	111.7	Y56 G57 D62 W63 A64 A91 V94	Y56-L60 HydrophobicContact CD1-CD1 4.13Å; Y56-L60 HydrophobicContact CE1-CD1 3.59Å; Y56-L60 HydrophobicContact CE1-CG 4.34Å; Y56-L60 HydrophobicContact CE2-CD1 4.36Å; Y56-L60 HydrophobicContact CE2-CD2 4.37Å; Y56-L60 HydrophobicContact CE2-CG 4.27Å; Y56-L60 PolarHBondContact O-N 3Å; Y56-L60 VanDerWaalsContact O-N 3.08Å; G57-L60 WeakPolarHBondContact O-CB 3.39Å; G57-L60 PolarHBondContact O-N 3.34Å; G57-L60 VanDerWaalsContact O-N 3.16Å; L60-D62 PolarHBondContact O-N 3.21Å; L60-W63 PolarHBondContact O-N 3.47Å; L60-A64 VanDerWaalsContact O-CB 3.23Å; L60-A64 WeakPolarHBondContact O-CB 3.47Å; L60-A64 PolarHBondContact O-N 3.33Å; L60-A91 HydrophobicContact CB-CB 4.3Å; L60-A91 HydrophobicContact CD2-CB 4.23Å; L60-V94 HydrophobicContact CD1-CB 3.96Å; L60-V94 HydrophobicContact CD1-CG1 3.58Å
61	T	98.8	Very high	98.6	Very high	45 Å²	45	77.3 Å²	77.3	28%	0.276	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-41.5	178.2	-64.1	0	0	0	0	112.4	G57 Q58 A64 K65 S95	G57-T61 PolarHBondContact O-N 2.91Å; G57-T61 PolarHBondContact O-OG1 3.43Å; Q58-T61 PolarHBondContact O-N 2.99Å; T61-A64 PolarHBondContact O-N 2.83Å; T61-K65 VanDerWaalsContact O-CB 3.23Å; T61-K65 WeakPolarHBondContact O-CB 3.41Å; T61-K65 PolarHBondContact O-N 2.78Å; T61-S95 VanDerWaalsContact OG1-CB 3.3Å; T61-S95 WeakPolarHBondContact OG1-CB 3.5Å; T61-S95 PolarHBondContact OG1-OG 2.83Å
62	D	98.8	Very high	98.5	Very high	81 Å²	81	77.4 Å²	77.4	43%	0.433	36%	0.355	S	S	.	.	H	α-helix	trans	-69.2	-38.3	178.1	-71.5	-36.9	0	0	0	112	Q58 L60 R66	Q58-D62 VanDerWaalsContact NE2-CG 3.3Å; Q58-D62 PolarHBondContact NE2-OD1 3.46Å; Q58-D62 PolarHBondContact NE2-OD2 3.34Å; Q58-D62 PolarHBondContact O-N 2.91Å; L60-D62 PolarHBondContact O-N 3.21Å; D62-R66 WeakPolarHBondContact O-CB 3.34Å; D62-R66 PolarHBondContact O-N 3.04Å
63	W	98.8	Very high	98.4	Very high	101 Å²	101	79.9 Å²	79.9	38%	0.383	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-48	171.6	175.1	94.9	0	0	0	111.6	Q59 L60 R66 W67 I87 M88 A91	Q59-W63 VanDerWaalsContact O-CB 3.23Å; Q59-W63 WeakPolarHBondContact O-CB 3.4Å; Q59-W63 PolarHBondContact O-N 3.23Å; L60-W63 PolarHBondContact O-N 3.47Å; W63-R66 PolarHBondContact O-N 3.06Å; W63-W67 AromaticContact CD1-CD1 3.62Å; W63-W67 AromaticContact CD1-NE1 3.74Å; W63-W67 AromaticContact CD2-CD1 3.9Å; W63-W67 AromaticContact CE2-CD1 3.43Å; W63-W67 VanDerWaalsContact CE2-CD1 3.43Å; W63-W67 AromaticContact CE2-NE1 3.84Å; W63-W67 AromaticContact CG-CD1 3.97Å; W63-W67 AromaticContact CZ2-CD1 3.93Å; W63-W67 HydrophobicContact CZ2-CG 4.44Å; W63-W67 AromaticContact NE1-CD1 3.29Å; W63-W67 VanDerWaalsContact NE1-CD1 3.29Å; W63-W67 AromaticContact NE1-NE1 3.28Å; W63-W67 PolarHBondContact O-N 2.91Å; W63-I87 HydrophobicContact CH2-CG2 3.84Å; W63-I87 HydrophobicContact CZ3-CG2 4.45Å; W63-M88 HydrophobicContact CE3-CG 4.32Å; W63-M88 HydrophobicContact CH2-CG 4.1Å; W63-M88 HydrophobicContact CH2-SD 3.87Å; W63-M88 HydrophobicContact CZ3-CB 4.45Å; W63-M88 HydrophobicContact CZ3-CG 3.74Å; W63-M88 HydrophobicContact CZ3-SD 4.13Å; W63-A91 HydrophobicContact CE3-CB 3.73Å; W63-A91 HydrophobicContact CZ3-CB 3.63Å
64	A	98.8	Very high	98.3	Very high	0 Å²	0	80.9 Å²	80.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-60.7	-49.2	-178.7	0	0	0	0	0	111.5	L60 T61 R66 W67 R68 M88 A91 D92	L60-A64 VanDerWaalsContact O-CB 3.23Å; L60-A64 WeakPolarHBondContact O-CB 3.47Å; L60-A64 PolarHBondContact O-N 3.33Å; T61-A64 PolarHBondContact O-N 2.83Å; A64-R66 VanDerWaalsContact C-N 3.34Å; A64-R66 PolarHBondContact O-N 3.04Å; A64-W67 PolarHBondContact O-N 2.78Å; A64-R68 WeakPolarHBondContact O-CB 3.39Å; A64-R68 PolarHBondContact O-N 2.97Å; A64-M88 HydrophobicContact CB-CB 3.89Å; A64-M88 HydrophobicContact CB-CG 4.21Å; A64-M88 WeakPolarHBondContact CB-O 3.44Å; A64-M88 WeakPolarHBondContact O-CG 3.25Å; A64-A91 HydrophobicContact CB-CB 4.17Å; A64-D92 WeakPolarHBondContact CB-OD1 3.4Å
65	K	98.8	Very high	98.3	Very high	120 Å²	120	81.5 Å²	81.5	52%	0.522	39%	0.391	S	S	.	.	H	α-helix	trans	-58.1	-42.5	174.9	-178.7	179.7	178.5	-178.3	0	112.6	T61 Q69	T61-K65 VanDerWaalsContact O-CB 3.23Å; T61-K65 WeakPolarHBondContact O-CB 3.41Å; T61-K65 PolarHBondContact O-N 2.78Å; K65-Q69 WeakPolarHBondContact O-CG 3.5Å; K65-Q69 PolarHBondContact O-N 2.78Å
66	R	98.7	Very high	98.2	Very high	168 Å²	168	82 Å²	82	63%	0.634	39%	0.386	S	S	*	.	H	α-helix	trans	-63.9	-51.2	178.1	175	179.5	173.3	172.9	-1.7	111.6	D62 W63 A64 Q69 L70	D62-R66 WeakPolarHBondContact O-CB 3.34Å; D62-R66 PolarHBondContact O-N 3.04Å; W63-R66 PolarHBondContact O-N 3.06Å; A64-R66 VanDerWaalsContact C-N 3.34Å; A64-R66 PolarHBondContact O-N 3.04Å; R66-Q69 PolarHBondContact O-N 3.16Å; R66-L70 HydrophobicContact CG-CD1 4.12Å; R66-L70 WeakPolarHBondContact O-CG 3.46Å; R66-L70 PolarHBondContact O-N 2.84Å
67	W	98.7	Very high	98.1	Very high	93 Å²	93	80.8 Å²	80.8	35%	0.352	38%	0.381	S	S	.	.	H	α-helix	trans	-70.6	-37.2	-175	-83.4	103.4	0	0	0	113.1	W63 A64 Q69 L70 I71 W84 M88	W63-W67 AromaticContact CD1-CD1 3.62Å; W63-W67 AromaticContact CD1-NE1 3.74Å; W63-W67 AromaticContact CD2-CD1 3.9Å; W63-W67 AromaticContact CE2-CD1 3.43Å; W63-W67 VanDerWaalsContact CE2-CD1 3.43Å; W63-W67 AromaticContact CE2-NE1 3.84Å; W63-W67 AromaticContact CG-CD1 3.97Å; W63-W67 AromaticContact CZ2-CD1 3.93Å; W63-W67 HydrophobicContact CZ2-CG 4.44Å; W63-W67 AromaticContact NE1-CD1 3.29Å; W63-W67 VanDerWaalsContact NE1-CD1 3.29Å; W63-W67 AromaticContact NE1-NE1 3.28Å; W63-W67 PolarHBondContact O-N 2.91Å; A64-W67 PolarHBondContact O-N 2.78Å; W67-Q69 VanDerWaalsContact C-N 3.33Å; W67-Q69 PolarHBondContact O-N 3.3Å; W67-L70 HydrophobicContact CD2-CD1 4.29Å; W67-L70 HydrophobicContact CE3-CB 4.37Å; W67-L70 HydrophobicContact CE3-CD1 4.1Å; W67-L70 HydrophobicContact CZ3-CD1 4.34Å; W67-L70 PolarHBondContact O-N 2.72Å; W67-I71 WeakPolarHBondContact O-CG1 3.33Å; W67-I71 PolarHBondContact O-N 2.93Å; W67-W84 HydrophobicContact CZ3-CZ2 4.4Å; W67-M88 HydrophobicContact CB-CE 4.33Å; W67-M88 HydrophobicContact CB-CG 3.85Å; W67-M88 HydrophobicContact CB-SD 3.83Å
68	R	98.2	Very high	98.1	Very high	68 Å²	68	82 Å²	82	26%	0.257	39%	0.393	S	S	.	.	H	α-helix	trans	-52.8	-50.1	171.5	-172.7	173.7	-66.5	122.6	-2.6	111.5	A64 L70 I71 E72 M88 D92	A64-R68 WeakPolarHBondContact O-CB 3.39Å; A64-R68 PolarHBondContact O-N 2.97Å; R68-L70 VanDerWaalsContact C-N 3.3Å; R68-L70 PolarHBondContact O-N 2.85Å; R68-I71 PolarHBondContact O-N 3.17Å; R68-E72 WeakPolarHBondContact CG-OE1 3.25Å; R68-E72 WeakPolarHBondContact O-CB 3.23Å; R68-E72 VanDerWaalsContact O-CG 3.26Å; R68-E72 WeakPolarHBondContact O-CG 3.43Å; R68-E72 PolarHBondContact O-N 3.5Å; R68-M88 VanDerWaalsContact NH2-C 3.29Å; R68-M88 PolarHBondContact NH2-O 3.42Å; R68-D92 IonicContact CZ-OD2 4Å; R68-D92 IonicContact NH1-OD2 3.58Å; R68-D92 PolarHBondContact NH1-OD2 3.25Å; R68-D92 IonicContact NH2-OD2 2.76Å; R68-D92 PolarHBondContact NH2-OD2 3.16Å
69	Q	98.1	Very high	98	Very high	89 Å²	89	78.1 Å²	78.1	42%	0.416	38%	0.376	S	S	.	.	H	α-helix	trans	-65.9	-24.8	176.6	-69.7	-176.6	14.9	0	0	115	K65 R66 W67 K73	K65-Q69 WeakPolarHBondContact O-CG 3.5Å; K65-Q69 PolarHBondContact O-N 2.78Å; R66-Q69 PolarHBondContact O-N 3.16Å; W67-Q69 VanDerWaalsContact C-N 3.33Å; W67-Q69 PolarHBondContact O-N 3.3Å; Q69-K73 VanDerWaalsContact O-CD 3.32Å; Q69-K73 WeakPolarHBondContact O-CD 3.33Å; Q69-K73 VanDerWaalsContact O-CG 3.3Å; Q69-K73 WeakPolarHBondContact O-CG 3.44Å
70	L	98.3	Very high	98	Very high	89 Å²	89	75.8 Å²	75.8	47%	0.466	37%	0.367	S	S	.	.	H	α-helix	trans	-79.6	-36.4	177.2	-72.5	171.7	0	0	0	111.5	R66 W67 R68 G74	R66-L70 HydrophobicContact CG-CD1 4.12Å; R66-L70 WeakPolarHBondContact O-CG 3.46Å; R66-L70 PolarHBondContact O-N 2.84Å; W67-L70 HydrophobicContact CD2-CD1 4.29Å; W67-L70 HydrophobicContact CE3-CB 4.37Å; W67-L70 HydrophobicContact CE3-CD1 4.1Å; W67-L70 HydrophobicContact CZ3-CD1 4.34Å; W67-L70 PolarHBondContact O-N 2.72Å; R68-L70 VanDerWaalsContact C-N 3.3Å; R68-L70 PolarHBondContact O-N 2.85Å; L70-G74 PolarHBondContact O-N 2.93Å; L70-G74 VanDerWaalsContact O-N 3.09Å
71	I	97.3	Very high	98	Very high	11 Å²	11	77.2 Å²	77.2	6%	0.056	37%	0.373	C	S	.	.	H	α-helix	trans	-72.6	-48.6	176.6	-65.7	174.4	0	0	0	110.7	W67 R68 K73 G74 E81 W84 M88	W67-I71 WeakPolarHBondContact O-CG1 3.33Å; W67-I71 PolarHBondContact O-N 2.93Å; R68-I71 PolarHBondContact O-N 3.17Å; I71-K73 PolarHBondContact O-N 3.07Å; I71-G74 WeakPolarHBondContact O-CA 3.48Å; I71-G74 PolarHBondContact O-N 2.94Å; I71-E81 HydrophobicContact CG2-CG 3.66Å; I71-W84 HydrophobicContact CD1-CB 4.15Å; I71-W84 HydrophobicContact CD1-CD2 3.49Å; I71-W84 VanDerWaalsContact CD1-CD2 3.49Å; I71-W84 HydrophobicContact CD1-CE3 4.12Å; I71-W84 HydrophobicContact CD1-CG 3.48Å; I71-W84 VanDerWaalsContact CD1-CG 3.48Å; I71-W84 HydrophobicContact CD1-CZ2 4.32Å; I71-W84 HydrophobicContact CG1-CD2 4.17Å; I71-W84 HydrophobicContact CG1-CE3 4.38Å; I71-W84 HydrophobicContact CG1-CZ2 4.47Å; I71-M88 HydrophobicContact CD1-CE 3.33Å
72	E	95.2	Very high	97.9	Very high	122 Å²	122	82.6 Å²	82.6	57%	0.57	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.1	178.2	-72.6	168.9	175.7	0	0	113.6	R68	R68-E72 WeakPolarHBondContact CG-OE1 3.25Å; R68-E72 WeakPolarHBondContact O-CB 3.23Å; R68-E72 VanDerWaalsContact O-CG 3.26Å; R68-E72 WeakPolarHBondContact O-CG 3.43Å; R68-E72 PolarHBondContact O-N 3.5Å
73	K	97.3	Very high	97.9	Very high	163 Å²	163	79 Å²	79	71%	0.709	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-4.5	176.3	-64.5	174.5	-170.1	163.3	0	113.1	Q69 I71	Q69-K73 VanDerWaalsContact O-CD 3.32Å; Q69-K73 WeakPolarHBondContact O-CD 3.33Å; Q69-K73 VanDerWaalsContact O-CG 3.3Å; Q69-K73 WeakPolarHBondContact O-CG 3.44Å; I71-K73 PolarHBondContact O-N 3.07Å
74	G	97.3	Very high	97.9	Very high	35 Å²	35	79.4 Å²	79.4	36%	0.361	37%	0.372	S	S	.	.	S	Bend	trans	-81.6	179.2	-178.1	0	0	0	0	0	112.5	L70 I71 Q76	L70-G74 PolarHBondContact O-N 2.93Å; L70-G74 VanDerWaalsContact O-N 3.09Å; I71-G74 WeakPolarHBondContact O-CA 3.48Å; I71-G74 PolarHBondContact O-N 2.94Å; G74-Q76 VanDerWaalsContact C-N 3.3Å
75	P	97.7	Very high	97.9	Very high	125 Å²	125	80.4 Å²	80.4	81%	0.812	38%	0.382	S	S	*	.	S	Bend	trans	-85.5	0.4	176.2	35.7	-36	0	0	0	113.4	Y77	P75-Y77 VanDerWaalsContact O-CD1 3.22Å; P75-Y77 WeakPolarHBondContact O-CD1 3.37Å; P75-Y77 WeakPolarHBondContact O-CE1 3.47Å
76	Q	98	Very high	97.9	Very high	56 Å²	56	75.4 Å²	75.4	26%	0.262	36%	0.363	S	S	.	.			trans	-84.3	137	178.3	-175.7	58.3	61.4	0	0	110	G74 E81 W84	G74-Q76 VanDerWaalsContact C-N 3.3Å; Q76-E81 HydrophobicContact CG-CB 4.11Å; Q76-W84 HydrophobicContact CG-CE3 4.34Å
77	Y	96.7	Very high	97.9	Very high	84 Å²	84	70.3 Å²	70.3	33%	0.329	35%	0.347	S	S	.	.			trans	-141.3	175.5	179.6	45.4	-100.3	0	0	0	111.1	P75 E81 W286 F287	P75-Y77 VanDerWaalsContact O-CD1 3.22Å; P75-Y77 WeakPolarHBondContact O-CD1 3.37Å; P75-Y77 WeakPolarHBondContact O-CE1 3.47Å; Y77-E81 WeakPolarHBondContact CA-OE2 3.31Å; Y77-E81 PolarHBondContact O-N 3.12Å; Y77-W286 HydrophobicContact CD1-CZ3 4.33Å; Y77-W286 AromaticContact CD2-CE3 3.79Å; Y77-W286 HydrophobicContact CD2-CE3 3.79Å; Y77-W286 HydrophobicContact CD2-CH2 4.21Å; Y77-W286 AromaticContact CD2-CZ3 3.39Å; Y77-W286 HydrophobicContact CD2-CZ3 3.39Å; Y77-W286 HydrophobicContact CE1-CZ3 4.37Å; Y77-W286 AromaticContact CE2-CE3 3.77Å; Y77-W286 HydrophobicContact CE2-CE3 3.77Å; Y77-W286 AromaticContact CE2-CZ3 3.45Å; Y77-W286 HydrophobicContact CE2-CZ3 3.45Å; Y77-W286 VanDerWaalsContact CE2-CZ3 3.45Å; Y77-W286 HydrophobicContact CG-CH2 4.3Å; Y77-W286 AromaticContact CG-CZ3 3.87Å; Y77-W286 HydrophobicContact CG-CZ3 3.87Å; Y77-W286 AromaticContact CZ-CZ3 3.97Å; Y77-F287 HydrophobicContact CE2-CD2 4.37Å; Y77-F287 AromaticContact CZ-CD2 3.82Å; Y77-F287 WeakPolarHBondContact OH-CD2 3.28Å
78	G	97.4	Very high	97.9	Very high	25 Å²	25	66 Å²	66	26%	0.258	33%	0.331	S	S	.	.	H	α-helix	trans	83.8	-149	163.6	0	0	0	0	0	115.1	E81 R82 D283	G78-E81 PolarHBondContact N-OE2 2.92Å; G78-R82 PolarHBondContact O-N 2.88Å; G78-D283 WeakPolarHBondContact CA-OD1 3.47Å
79	S	98.3	Very high	97.9	Very high	3 Å²	3	65.7 Å²	65.7	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-66	-38.6	179.5	75.2	0	0	0	0	112.2	R82 A83 D279 D283	S79-R82 PolarHBondContact O-N 2.95Å; S79-A83 PolarHBondContact O-N 2.82Å; S79-D279 PolarHBondContact OG-N 3.47Å; S79-D279 PolarHBondContact OG-O 3.02Å; S79-D283 WeakPolarHBondContact CB-OD1 3.22Å; S79-D283 VanDerWaalsContact N-CG 3.34Å; S79-D283 PolarHBondContact N-OD1 3.48Å; S79-D283 PolarHBondContact N-OD2 3.33Å; S79-D283 VanDerWaalsContact N-OD2 3.11Å; S79-D283 PolarHBondContact OG-OD1 3.21Å; S79-D283 PolarHBondContact OG-OD2 2.89Å
80	L	98.3	Very high	97.9	Very high	85 Å²	85	63 Å²	63	45%	0.445	33%	0.325	S	S	.	.	H	α-helix	trans	-69.5	-33.9	177.6	-177.1	60.7	0	0	0	112.8	A83 W84 D283	L80-A83 PolarHBondContact O-N 3.18Å; L80-W84 PolarHBondContact O-N 2.85Å; L80-D283 PolarHBondContact N-OD2 3.04Å; L80-D283 VanDerWaalsContact N-OD2 3.17Å
81	E	98.3	Very high	98	Very high	58 Å²	58	58.9 Å²	58.9	27%	0.271	30%	0.303	S	S	.	.	H	α-helix	trans	-60.5	-45.7	171.8	-172.7	-165.4	-176.9	0	0	111.2	I71 Q76 Y77 G78 A83 W84 G85	I71-E81 HydrophobicContact CG2-CG 3.66Å; Q76-E81 HydrophobicContact CG-CB 4.11Å; Y77-E81 WeakPolarHBondContact CA-OE2 3.31Å; Y77-E81 PolarHBondContact O-N 3.12Å; G78-E81 PolarHBondContact N-OE2 2.92Å; E81-A83 PolarHBondContact O-N 2.8Å; E81-W84 PolarHBondContact O-N 2.81Å; E81-G85 PolarHBondContact O-N 2.83Å
82	R	98.1	Very high	98	Very high	158 Å²	158	60 Å²	60	60%	0.596	31%	0.309	S	S	*	.	H	α-helix	trans	-62.3	-42	176.8	-68.7	-177.6	-70.9	148.7	-4.4	112.2	G78 S79 G85 A86 E282	G78-R82 PolarHBondContact O-N 2.88Å; S79-R82 PolarHBondContact O-N 2.95Å; R82-G85 PolarHBondContact O-N 3.23Å; R82-A86 PolarHBondContact O-N 2.87Å; R82-E282 IonicContact NH2-OE2 3.13Å
83	A	98.4	Very high	98.2	Very high	6 Å²	6	56.9 Å²	56.9	5%	0.05	29%	0.294	C	S	.	.	H	α-helix	trans	-62.8	-43.9	176.7	0	0	0	0	0	112.5	S79 L80 E81 A86 A278	S79-A83 PolarHBondContact O-N 2.82Å; L80-A83 PolarHBondContact O-N 3.18Å; E81-A83 PolarHBondContact O-N 2.8Å; A83-A86 WeakPolarHBondContact O-CB 3.15Å; A83-A86 PolarHBondContact O-N 3.13Å; A83-A278 HydrophobicContact CB-CB 4.04Å
84	W	98.4	Very high	98.3	Very high	110 Å²	110	49.2 Å²	49.2	42%	0.417	26%	0.261	S	S	.	.	H	α-helix	trans	-67.4	-41.4	174.7	-165.9	-6.1	0	0	0	111.1	W67 I71 Q76 L80 E81 A86 I87 M88	W67-W84 HydrophobicContact CZ3-CZ2 4.4Å; I71-W84 HydrophobicContact CD1-CB 4.15Å; I71-W84 HydrophobicContact CD1-CD2 3.49Å; I71-W84 VanDerWaalsContact CD1-CD2 3.49Å; I71-W84 HydrophobicContact CD1-CE3 4.12Å; I71-W84 HydrophobicContact CD1-CG 3.48Å; I71-W84 VanDerWaalsContact CD1-CG 3.48Å; I71-W84 HydrophobicContact CD1-CZ2 4.32Å; I71-W84 HydrophobicContact CG1-CD2 4.17Å; I71-W84 HydrophobicContact CG1-CE3 4.38Å; I71-W84 HydrophobicContact CG1-CZ2 4.47Å; Q76-W84 HydrophobicContact CG-CE3 4.34Å; L80-W84 PolarHBondContact O-N 2.85Å; E81-W84 PolarHBondContact O-N 2.81Å; W84-A86 PolarHBondContact O-N 2.59Å; W84-I87 WeakPolarHBondContact O-CG1 3.5Å; W84-I87 PolarHBondContact O-N 2.94Å; W84-I87 VanDerWaalsContact O-N 3.1Å; W84-M88 WeakPolarHBondContact O-CE 3.42Å
85	G	98.5	Very high	98.3	Very high	21 Å²	21	47.9 Å²	47.9	22%	0.216	25%	0.245	C	C	.	.	H	α-helix	trans	-52	-35.4	172.6	0	0	0	0	0	113.9	E81 R82 I87 M88 T89	E81-G85 PolarHBondContact O-N 2.83Å; R82-G85 PolarHBondContact O-N 3.23Å; G85-I87 VanDerWaalsContact C-N 3.28Å; G85-I87 PolarHBondContact O-N 3.44Å; G85-M88 PolarHBondContact O-N 3.24Å; G85-T89 PolarHBondContact O-N 3.1Å; G85-T89 PolarHBondContact O-OG1 2.86Å
86	A	98.6	Very high	98.4	Very high	14 Å²	14	48.5 Å²	48.5	12%	0.116	24%	0.237	C	C	.	.	H	α-helix	trans	-64.6	-26.2	179.9	0	0	0	0	0	113.9	R82 A83 W84 M88 T89 E90 L271 A274	R82-A86 PolarHBondContact O-N 2.87Å; A83-A86 WeakPolarHBondContact O-CB 3.15Å; A83-A86 PolarHBondContact O-N 3.13Å; W84-A86 PolarHBondContact O-N 2.59Å; A86-M88 VanDerWaalsContact C-N 3.32Å; A86-M88 PolarHBondContact O-N 3.15Å; A86-T89 CarbonylContact O-C 3.52Å; A86-T89 WeakPolarHBondContact O-CB 3.42Å; A86-T89 PolarHBondContact O-N 3.44Å; A86-T89 VanDerWaalsContact O-N 3.16Å; A86-E90 PolarHBondContact O-N 3.01Å; A86-L271 HydrophobicContact CB-CD1 3.89Å; A86-A274 HydrophobicContact CB-CB 3.45Å; A86-A274 VanDerWaalsContact CB-CB 3.45Å
87	I	98.6	Very high	98.4	Very high	62 Å²	62	46.3 Å²	46.3	32%	0.318	23%	0.228	S	C	.	.	H	α-helix	trans	-64.9	-39	175.7	-49.2	178.1	0	0	0	110.3	W63 W84 G85 T89 E90 A91 L271	W63-I87 HydrophobicContact CH2-CG2 3.84Å; W63-I87 HydrophobicContact CZ3-CG2 4.45Å; W84-I87 WeakPolarHBondContact O-CG1 3.5Å; W84-I87 PolarHBondContact O-N 2.94Å; W84-I87 VanDerWaalsContact O-N 3.1Å; G85-I87 VanDerWaalsContact C-N 3.28Å; G85-I87 PolarHBondContact O-N 3.44Å; I87-T89 VanDerWaalsContact C-N 3.31Å; I87-T89 PolarHBondContact O-N 2.92Å; I87-E90 WeakPolarHBondContact O-CB 3.08Å; I87-E90 PolarHBondContact O-N 2.9Å; I87-A91 PolarHBondContact O-N 2.89Å; I87-L271 HydrophobicContact CG1-CD1 4.11Å
88	M	98.8	Very high	98.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-72.7	-26.8	175.4	-70.4	71.9	69.4	0	0	112.1	W63 A64 W67 R68 I71 W84 G85 A86 D92	W63-M88 HydrophobicContact CE3-CG 4.32Å; W63-M88 HydrophobicContact CH2-CG 4.1Å; W63-M88 HydrophobicContact CH2-SD 3.87Å; W63-M88 HydrophobicContact CZ3-CB 4.45Å; W63-M88 HydrophobicContact CZ3-CG 3.74Å; W63-M88 HydrophobicContact CZ3-SD 4.13Å; A64-M88 HydrophobicContact CB-CB 3.89Å; A64-M88 HydrophobicContact CB-CG 4.21Å; A64-M88 WeakPolarHBondContact CB-O 3.44Å; A64-M88 WeakPolarHBondContact O-CG 3.25Å; W67-M88 HydrophobicContact CB-CE 4.33Å; W67-M88 HydrophobicContact CB-CG 3.85Å; W67-M88 HydrophobicContact CB-SD 3.83Å; R68-M88 VanDerWaalsContact NH2-C 3.29Å; R68-M88 PolarHBondContact NH2-O 3.42Å; I71-M88 HydrophobicContact CD1-CE 3.33Å; W84-M88 WeakPolarHBondContact O-CE 3.42Å; G85-M88 PolarHBondContact O-N 3.24Å; A86-M88 VanDerWaalsContact C-N 3.32Å; A86-M88 PolarHBondContact O-N 3.15Å; M88-D92 PolarHBondContact O-N 3.06Å; M88-D92 VanDerWaalsContact O-N 3.07Å
89	T	98.6	Very high	98.6	Very high	63 Å²	63	44.7 Å²	44.7	39%	0.387	22%	0.216	S	C	.	.	H	α-helix	trans	-70.7	-33.5	170.2	-56.5	0	0	0	0	112.1	G85 A86 I87 K93	G85-T89 PolarHBondContact O-N 3.1Å; G85-T89 PolarHBondContact O-OG1 2.86Å; A86-T89 CarbonylContact O-C 3.52Å; A86-T89 WeakPolarHBondContact O-CB 3.42Å; A86-T89 PolarHBondContact O-N 3.44Å; A86-T89 VanDerWaalsContact O-N 3.16Å; I87-T89 VanDerWaalsContact C-N 3.31Å; I87-T89 PolarHBondContact O-N 2.92Å; T89-K93 HydrophobicContact CG2-CD 4.47Å; T89-K93 WeakPolarHBondContact O-CG 3.46Å; T89-K93 PolarHBondContact O-N 2.91Å; T89-K93 VanDerWaalsContact O-N 3.14Å
90	E	98.7	Very high	98.6	Very high	33 Å²	33	49 Å²	49	15%	0.154	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-51.8	169.7	175.5	-92.2	178.4	0	0	110.7	A86 I87 D92 K93 V94 V267 Y268 L271	A86-E90 PolarHBondContact O-N 3.01Å; I87-E90 WeakPolarHBondContact O-CB 3.08Å; I87-E90 PolarHBondContact O-N 2.9Å; E90-D92 VanDerWaalsContact C-N 3.31Å; E90-D92 PolarHBondContact O-N 3.18Å; E90-K93 PolarHBondContact O-N 3.21Å; E90-V94 HydrophobicContact CG-CG2 4.24Å; E90-V94 WeakPolarHBondContact O-CG2 3.17Å; E90-V94 PolarHBondContact O-N 3.42Å; E90-V267 HydrophobicContact CB-CG1 4.06Å; E90-V267 HydrophobicContact CG-CG1 3.52Å; E90-Y268 HydrophobicContact CG-CD1 4.4Å; E90-Y268 HydrophobicContact CG-CE1 3.85Å; E90-Y268 WeakPolarHBondContact OE1-CE1 3.43Å; E90-Y268 PolarHBondContact OE1-OH 2.86Å; E90-L271 HydrophobicContact CB-CD2 4.03Å; E90-L271 HydrophobicContact CG-CD2 4.02Å
91	A	98.8	Very high	98.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-59.5	-39	-179.6	0	0	0	0	0	113	L60 W63 A64 I87 S95	L60-A91 HydrophobicContact CB-CB 4.3Å; L60-A91 HydrophobicContact CD2-CB 4.23Å; W63-A91 HydrophobicContact CE3-CB 3.73Å; W63-A91 HydrophobicContact CZ3-CB 3.63Å; A64-A91 HydrophobicContact CB-CB 4.17Å; I87-A91 PolarHBondContact O-N 2.89Å; A91-S95 WeakPolarHBondContact O-CB 3.27Å; A91-S95 PolarHBondContact O-N 3.29Å
92	D	98.8	Very high	98.6	Very high	36 Å²	36	44.3 Å²	44.3	19%	0.193	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-43.4	173.4	-76.9	-39.2	0	0	0	111.7	A64 R68 M88 E90 S95 E96	A64-D92 WeakPolarHBondContact CB-OD1 3.4Å; R68-D92 IonicContact CZ-OD2 4Å; R68-D92 IonicContact NH1-OD2 3.58Å; R68-D92 PolarHBondContact NH1-OD2 3.25Å; R68-D92 IonicContact NH2-OD2 2.76Å; R68-D92 PolarHBondContact NH2-OD2 3.16Å; M88-D92 PolarHBondContact O-N 3.06Å; M88-D92 VanDerWaalsContact O-N 3.07Å; E90-D92 VanDerWaalsContact C-N 3.31Å; E90-D92 PolarHBondContact O-N 3.18Å; D92-S95 WeakPolarHBondContact O-CB 3.41Å; D92-S95 PolarHBondContact O-N 2.82Å; D92-E96 WeakPolarHBondContact O-CG 3.26Å; D92-E96 PolarHBondContact O-N 2.8Å
93	K	98.7	Very high	98.7	Very high	56 Å²	56	39.6 Å²	39.6	24%	0.243	20%	0.198	C	C	.	.	H	α-helix	trans	-68.3	-36.5	176.8	-71.9	177	177.2	177.8	0	113.1	T89 E90 E96 L97 V267 E270	T89-K93 HydrophobicContact CG2-CD 4.47Å; T89-K93 WeakPolarHBondContact O-CG 3.46Å; T89-K93 PolarHBondContact O-N 2.91Å; T89-K93 VanDerWaalsContact O-N 3.14Å; E90-K93 PolarHBondContact O-N 3.21Å; K93-E96 PolarHBondContact O-N 3.49Å; K93-L97 WeakPolarHBondContact O-CG 3.43Å; K93-L97 PolarHBondContact O-N 2.82Å; K93-L97 VanDerWaalsContact O-N 3.14Å; K93-V267 HydrophobicContact CB-CG1 4.25Å; K93-V267 HydrophobicContact CB-CG2 3.68Å; K93-V267 HydrophobicContact CD-CG2 4.01Å; K93-V267 HydrophobicContact CG-CG2 4.46Å; K93-E270 IonicContact NZ-OE1 3.16Å; K93-E270 PolarHBondContact NZ-OE1 2.9Å; K93-E270 IonicContact NZ-OE2 3.82Å; K93-E270 PolarHBondContact NZ-OE2 3.42Å
94	V	98.8	Very high	98.7	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-67	-40.3	173.3	174.9	0	0	0	0	110.1	Y56 L60 E90 E96 L97 H98 Y264 V267	Y56-V94 HydrophobicContact CE1-CG1 4.25Å; L60-V94 HydrophobicContact CD1-CB 3.96Å; L60-V94 HydrophobicContact CD1-CG1 3.58Å; E90-V94 HydrophobicContact CG-CG2 4.24Å; E90-V94 WeakPolarHBondContact O-CG2 3.17Å; E90-V94 PolarHBondContact O-N 3.42Å; V94-E96 PolarHBondContact O-N 3.42Å; V94-L97 PolarHBondContact O-N 2.94Å; V94-H98 PolarHBondContact O-CD2 2.84Å; V94-H98 VanDerWaalsContact O-CD2 3.28Å; V94-H98 PolarHBondContact O-N 3.24Å; V94-Y264 HydrophobicContact CG2-CE2 4.43Å; V94-V267 HydrophobicContact CG2-CG1 4.22Å
95	S	98.8	Very high	98.7	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-55.7	-48.4	171.9	177.2	0	0	0	0	112	G57 T61 A91 D92 L97 H98 Q99	G57-S95 WeakPolarHBondContact CA-OG 3.33Å; G57-S95 WeakPolarHBondContact O-CB 3.22Å; G57-S95 PolarHBondContact O-OG 3.25Å; T61-S95 VanDerWaalsContact OG1-CB 3.3Å; T61-S95 WeakPolarHBondContact OG1-CB 3.5Å; T61-S95 PolarHBondContact OG1-OG 2.83Å; A91-S95 WeakPolarHBondContact O-CB 3.27Å; A91-S95 PolarHBondContact O-N 3.29Å; D92-S95 WeakPolarHBondContact O-CB 3.41Å; D92-S95 PolarHBondContact O-N 2.82Å; S95-L97 VanDerWaalsContact C-N 3.34Å; S95-L97 PolarHBondContact O-N 2.91Å; S95-H98 PolarHBondContact O-N 2.93Å; S95-H98 VanDerWaalsContact O-N 3.17Å; S95-Q99 WeakPolarHBondContact O-CG 3.42Å; S95-Q99 PolarHBondContact O-N 2.84Å
96	E	98.6	Very high	98.7	Very high	138 Å²	138	36.6 Å²	36.6	65%	0.645	19%	0.185	S	C	*	.	H	α-helix	trans	-56.2	-45.8	176.8	-72.6	174.4	175.5	0	0	112.1	D92 K93 V94 H98 Q99 E100	D92-E96 WeakPolarHBondContact O-CG 3.26Å; D92-E96 PolarHBondContact O-N 2.8Å; K93-E96 PolarHBondContact O-N 3.49Å; V94-E96 PolarHBondContact O-N 3.42Å; E96-H98 PolarHBondContact O-N 3.09Å; E96-Q99 PolarHBondContact O-N 2.88Å; E96-E100 PolarHBondContact O-N 3.3Å
97	L	98.6	Very high	98.7	Very high	11 Å²	11	41.2 Å²	41.2	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-42	176.4	-69	170	0	0	0	112.2	K93 V94 S95 Q99 E100 V101 L258 Y264 V267	K93-L97 WeakPolarHBondContact O-CG 3.43Å; K93-L97 PolarHBondContact O-N 2.82Å; K93-L97 VanDerWaalsContact O-N 3.14Å; V94-L97 PolarHBondContact O-N 2.94Å; S95-L97 VanDerWaalsContact C-N 3.34Å; S95-L97 PolarHBondContact O-N 2.91Å; L97-Q99 PolarHBondContact O-N 2.67Å; L97-E100 WeakPolarHBondContact O-CB 3.43Å; L97-E100 PolarHBondContact O-N 3.37Å; L97-E100 VanDerWaalsContact O-N 3.17Å; L97-V101 WeakPolarHBondContact O-CG2 3.46Å; L97-V101 PolarHBondContact O-N 3.29Å; L97-L258 HydrophobicContact CB-CD1 4.5Å; L97-L258 HydrophobicContact CB-CD2 4.21Å; L97-Y264 HydrophobicContact CD1-CD2 3.85Å; L97-Y264 HydrophobicContact CD1-CG 4.45Å; L97-V267 HydrophobicContact CD1-CG2 4.38Å
98	H	98.8	Very high	98.7	Very high	27 Å²	27	42.9 Å²	42.9	13%	0.125	21%	0.214	C	C	.	.	H	α-helix	trans	-69.1	-30.3	175.4	-80.1	-90.3	0	0	0	113.1	E53 Y56 V94 S95 E96 K102	E53-H98 IonicContact OE2-CE1 3.53Å; E53-H98 PolarHBondContact OE2-CE1 3.19Å; E53-H98 IonicContact OE2-CG 3.53Å; E53-H98 IonicContact OE2-ND1 3.59Å; E53-H98 PolarHBondContact OE2-ND1 2.84Å; Y56-H98 HydrophobicContact CD1-CB 4.49Å; Y56-H98 AromaticContact CD1-CD2 3.73Å; Y56-H98 AromaticContact CD1-CE1 3.69Å; Y56-H98 AromaticContact CD1-CG 3.75Å; Y56-H98 AromaticContact CD1-ND1 3.72Å; Y56-H98 AromaticContact CD1-NE2 3.7Å; Y56-H98 AromaticContact CE1-CD2 3.7Å; Y56-H98 AromaticContact CE1-CE1 3.85Å; Y56-H98 AromaticContact CE1-NE2 3.46Å; Y56-H98 WeakPolarHBondContact CE1-NE2 3.44Å; V94-H98 PolarHBondContact O-CD2 2.84Å; V94-H98 VanDerWaalsContact O-CD2 3.28Å; V94-H98 PolarHBondContact O-N 3.24Å; S95-H98 PolarHBondContact O-N 2.93Å; S95-H98 VanDerWaalsContact O-N 3.17Å; E96-H98 PolarHBondContact O-N 3.09Å; H98-K102 WeakPolarHBondContact O-CB 3.31Å; H98-K102 PolarHBondContact O-N 3.23Å
99	Q	98.6	Very high	98.7	Very high	47 Å²	47	42.9 Å²	42.9	22%	0.22	21%	0.214	C	C	.	.	H	α-helix	trans	-67.4	-35.6	168.6	-62.7	-55.4	-36.7	0	0	111.9	K54 S95 E96 L97 K102 N103	K54-Q99 PolarHBondContact O-NE2 2.93Å; S95-Q99 WeakPolarHBondContact O-CG 3.42Å; S95-Q99 PolarHBondContact O-N 2.84Å; E96-Q99 PolarHBondContact O-N 2.88Å; L97-Q99 PolarHBondContact O-N 2.67Å; Q99-K102 PolarHBondContact O-N 2.92Å; Q99-N103 WeakPolarHBondContact O-CB 3.29Å; Q99-N103 PolarHBondContact O-N 3.41Å; Q99-N103 PolarHBondContact O-ND2 3.44Å; Q99-N103 VanDerWaalsContact O-ND2 3.13Å
100	E	98.4	Very high	98.7	Very high	94 Å²	94	40.9 Å²	40.9	44%	0.439	20%	0.2	S	C	.	.	H	α-helix	trans	-63	-49.2	173.2	-167.7	-176.5	177.5	0	0	111.2	E96 L97 K102 N103 N104	E96-E100 PolarHBondContact O-N 3.3Å; L97-E100 WeakPolarHBondContact O-CB 3.43Å; L97-E100 PolarHBondContact O-N 3.37Å; L97-E100 VanDerWaalsContact O-N 3.17Å; E100-K102 VanDerWaalsContact C-N 3.31Å; E100-K102 PolarHBondContact O-N 3.35Å; E100-N103 WeakPolarHBondContact O-CA 3.44Å; E100-N103 WeakPolarHBondContact O-CB 3.33Å; E100-N103 PolarHBondContact O-N 3.04Å; E100-N104 VanDerWaalsContact O-CG 3.29Å; E100-N104 PolarHBondContact O-N 2.92Å; E100-N104 PolarHBondContact O-OD1 2.87Å
101	V	98.8	Very high	98.7	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.03	21%	0.207	C	C	.	.	H	α-helix	trans	-52.1	-51.1	172.9	177.4	0	0	0	0	110.5	E53 L97 N103 N104 L105 H255 L256 L258	E53-V101 HydrophobicContact CG-CG1 3.99Å; L97-V101 WeakPolarHBondContact O-CG2 3.46Å; L97-V101 PolarHBondContact O-N 3.29Å; V101-N103 VanDerWaalsContact C-N 3.28Å; V101-N103 PolarHBondContact O-N 2.68Å; V101-N104 PolarHBondContact O-N 2.98Å; V101-L105 HydrophobicContact CG1-CD1 4.07Å; V101-L105 HydrophobicContact CG1-CG 4.4Å; V101-L105 VanDerWaalsContact O-CG 3.28Å; V101-L105 WeakPolarHBondContact O-CG 3.25Å; V101-L105 PolarHBondContact O-N 3.49Å; V101-H255 WeakPolarHBondContact CG2-O 3.43Å; V101-L256 HydrophobicContact CG1-CD2 3.7Å; V101-L258 HydrophobicContact CG2-CD1 4.41Å; V101-L258 HydrophobicContact CG2-CD2 3.79Å; V101-L258 HydrophobicContact CG2-CG 4.13Å
102	K	98.8	Very high	98.7	Very high	39 Å²	39	45.9 Å²	45.9	17%	0.17	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-35.2	176.6	168.3	-94.8	147.2	-168.9	0	113.1	A50 E53 K54 H98 Q99 E100 L106	A50-K102 HydrophobicContact CB-CG 4.17Å; A50-K102 VanDerWaalsContact O-CG 3.31Å; A50-K102 WeakPolarHBondContact O-CG 3.43Å; E53-K102 HydrophobicContact CB-CB 3.94Å; K54-K102 HydrophobicContact CB-CG 4.16Å; H98-K102 WeakPolarHBondContact O-CB 3.31Å; H98-K102 PolarHBondContact O-N 3.23Å; Q99-K102 PolarHBondContact O-N 2.92Å; E100-K102 VanDerWaalsContact C-N 3.31Å; E100-K102 PolarHBondContact O-N 3.35Å; K102-L106 VanDerWaalsContact CE-CD1 3.49Å; K102-L106 WeakPolarHBondContact O-CG 3.25Å; K102-L106 PolarHBondContact O-N 2.99Å
103	N	98.7	Very high	98.7	Very high	59 Å²	59	44.2 Å²	44.2	32%	0.316	21%	0.214	S	C	.	.	H	α-helix	trans	-72.2	-42.8	178.4	-73.7	-29.3	0	0	0	111.1	Q99 E100 V101 L106 N107	Q99-N103 WeakPolarHBondContact O-CB 3.29Å; Q99-N103 PolarHBondContact O-N 3.41Å; Q99-N103 PolarHBondContact O-ND2 3.44Å; Q99-N103 VanDerWaalsContact O-ND2 3.13Å; E100-N103 WeakPolarHBondContact O-CA 3.44Å; E100-N103 WeakPolarHBondContact O-CB 3.33Å; E100-N103 PolarHBondContact O-N 3.04Å; V101-N103 VanDerWaalsContact C-N 3.28Å; V101-N103 PolarHBondContact O-N 2.68Å; N103-L106 PolarHBondContact O-N 3.39Å; N103-N107 WeakPolarHBondContact O-CB 3.42Å; N103-N107 VanDerWaalsContact O-CG 3.23Å; N103-N107 PolarHBondContact O-N 2.94Å; N103-N107 PolarHBondContact O-ND2 2.99Å
104	N	98.8	Very high	98.7	Very high	34 Å²	34	45.8 Å²	45.8	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-67.5	-43.3	-179.5	-60	-9.5	0	0	0	110.7	E100 V101 L106 E108 D109 H255	E100-N104 VanDerWaalsContact O-CG 3.29Å; E100-N104 PolarHBondContact O-N 2.92Å; E100-N104 PolarHBondContact O-OD1 2.87Å; V101-N104 PolarHBondContact O-N 2.98Å; N104-L106 VanDerWaalsContact C-N 3.32Å; N104-L106 PolarHBondContact O-N 3.1Å; N104-E108 WeakPolarHBondContact O-CA 3.44Å; N104-E108 VanDerWaalsContact O-CB 3.31Å; N104-E108 WeakPolarHBondContact O-CB 3.16Å; N104-E108 PolarHBondContact O-N 2.89Å; N104-D109 PolarHBondContact O-N 2.85Å; N104-D109 VanDerWaalsContact O-N 3.1Å; N104-H255 HydrophobicContact CB-CB 4.07Å
105	L	98.9	Very high	98.7	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.24	C	C	.	.	I	π-helix	trans	-55.2	-42.4	173.6	-71.9	174.6	0	0	0	113.1	V46 R49 A50 E53 V101 L110 I252 L256	V46-L105 HydrophobicContact CG1-CB 3.96Å; V46-L105 HydrophobicContact CG1-CD2 4.26Å; V46-L105 VanDerWaalsContact CG1-O 3.23Å; V46-L105 WeakPolarHBondContact CG1-O 3.46Å; R49-L105 HydrophobicContact CG-CD1 4.01Å; A50-L105 HydrophobicContact CB-CB 4.2Å; A50-L105 HydrophobicContact CB-CD1 4.15Å; E53-L105 HydrophobicContact CG-CD1 4.29Å; V101-L105 HydrophobicContact CG1-CD1 4.07Å; V101-L105 HydrophobicContact CG1-CG 4.4Å; V101-L105 VanDerWaalsContact O-CG 3.28Å; V101-L105 WeakPolarHBondContact O-CG 3.25Å; V101-L105 PolarHBondContact O-N 3.49Å; L105-L110 WeakPolarHBondContact O-CB 3.43Å; L105-L110 PolarHBondContact O-N 3.05Å; L105-I252 HydrophobicContact CD2-CG1 4.35Å; L105-I252 HydrophobicContact CD2-CG2 4.04Å; L105-L256 HydrophobicContact CD1-CD2 3.89Å; L105-L256 HydrophobicContact CD2-CD2 4.09Å; L105-L256 HydrophobicContact CD2-CG 4.36Å; L105-L256 HydrophobicContact CG-CD2 4.38Å
106	L	98.7	Very high	98.7	Very high	40 Å²	40	51.6 Å²	51.6	21%	0.209	25%	0.247	C	C	.	.	I	π-helix	trans	-86	-44.7	-177.3	-65.9	-172.2	0	0	0	113.5	Q47 A50 K102 N103 N104 L110	Q47-L106 HydrophobicContact CB-CD2 4.34Å; Q47-L106 HydrophobicContact CG-CD2 4.17Å; A50-L106 HydrophobicContact CB-CD1 4.27Å; A50-L106 HydrophobicContact CB-CD2 3.64Å; A50-L106 HydrophobicContact CB-CG 3.74Å; K102-L106 VanDerWaalsContact CE-CD1 3.49Å; K102-L106 WeakPolarHBondContact O-CG 3.25Å; K102-L106 PolarHBondContact O-N 2.99Å; N103-L106 PolarHBondContact O-N 3.39Å; N104-L106 VanDerWaalsContact C-N 3.32Å; N104-L106 PolarHBondContact O-N 3.1Å; L106-L110 HydrophobicContact CD2-CD1 3.87Å
107	N	98.6	Very high	98.7	Very high	110 Å²	110	46 Å²	46	59%	0.588	22%	0.221	S	C	*	.	I	π-helix	trans	-88.5	-23.7	-169.6	-56.5	-22.1	0	0	0	112.4	N103	N103-N107 WeakPolarHBondContact O-CB 3.42Å; N103-N107 VanDerWaalsContact O-CG 3.23Å; N103-N107 PolarHBondContact O-N 2.94Å; N103-N107 PolarHBondContact O-ND2 2.99Å
108	E	98.5	Very high	98.7	Very high	97 Å²	97	52.2 Å²	52.2	45%	0.453	25%	0.247	S	C	.	.	I	π-helix	trans	-105.9	-67.6	175	-56.4	-170.6	-157.3	0	0	110.7	N104 K112 H255	N104-E108 WeakPolarHBondContact O-CA 3.44Å; N104-E108 VanDerWaalsContact O-CB 3.31Å; N104-E108 WeakPolarHBondContact O-CB 3.16Å; N104-E108 PolarHBondContact O-N 2.89Å; E108-K112 WeakPolarHBondContact O-CB 3.39Å; E108-K112 PolarHBondContact O-N 3.24Å; E108-H255 IonicContact OE2-CE1 3.35Å; E108-H255 IonicContact OE2-NE2 3.98Å
109	D	98.8	Very high	98.7	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.011	27%	0.27	C	S	.	.	I	π-helix	trans	-66.4	-49.2	-167.5	-58.6	-39.4	0	0	0	112.7	N104 K112 V113 D251 I252 H255	N104-D109 PolarHBondContact O-N 2.85Å; N104-D109 VanDerWaalsContact O-N 3.1Å; D109-K112 PolarHBondContact O-N 3.06Å; D109-V113 WeakPolarHBondContact O-CG2 3.49Å; D109-V113 PolarHBondContact O-N 3.03Å; D109-V113 VanDerWaalsContact O-N 3.11Å; D109-D251 WeakPolarHBondContact OD1-CB 3.22Å; D109-I252 HydrophobicContact CB-CD1 4.41Å; D109-I252 HydrophobicContact CB-CG1 3.79Å; D109-H255 VanDerWaalsContact CG-ND1 3.29Å; D109-H255 IonicContact OD1-CE1 3.96Å; D109-H255 PolarHBondContact OD1-CE1 2.91Å; D109-H255 VanDerWaalsContact OD1-CE1 3.26Å; D109-H255 IonicContact OD1-ND1 2.63Å; D109-H255 PolarHBondContact OD1-ND1 3.18Å; D109-H255 VanDerWaalsContact OD1-ND1 3.09Å; D109-H255 IonicContact OD2-CE1 2.88Å; D109-H255 IonicContact OD2-CG 2.76Å; D109-H255 IonicContact OD2-ND1 2.73Å; D109-H255 PolarHBondContact OD2-ND1 3Å
110	L	98.8	Very high	98.7	Very high	20 Å²	20	54.8 Å²	54.8	11%	0.105	27%	0.266	C	S	.	.	I	π-helix	trans	-66.1	-48.1	178.7	-175.6	159.9	0	0	0	111.7	M43 V46 Q47 L105 L106 K112 V113 K114	M43-L110 HydrophobicContact CB-CD1 4.4Å; M43-L110 HydrophobicContact CB-CG 4.08Å; M43-L110 HydrophobicContact CG-CG 4.04Å; M43-L110 WeakPolarHBondContact O-CD1 3.5Å; M43-L110 HydrophobicContact SD-CD2 4.38Å; V46-L110 HydrophobicContact CG1-CB 4.16Å; Q47-L110 HydrophobicContact CB-CD1 3.95Å; Q47-L110 HydrophobicContact CG-CD1 4.5Å; L105-L110 WeakPolarHBondContact O-CB 3.43Å; L105-L110 PolarHBondContact O-N 3.05Å; L106-L110 HydrophobicContact CD2-CD1 3.87Å; L110-K112 VanDerWaalsContact C-N 3.27Å; L110-K112 PolarHBondContact O-N 2.86Å; L110-V113 PolarHBondContact O-N 2.85Å; L110-K114 HydrophobicContact CD2-CD 4.32Å; L110-K114 WeakPolarHBondContact O-CB 3.43Å; L110-K114 PolarHBondContact O-N 2.77Å
111	E	98.7	Very high	98.7	Very high	62 Å²	62	50.8 Å²	50.8	29%	0.29	25%	0.247	S	C	.	.	H	α-helix	trans	-64.7	-31.2	177.5	-69.6	-63.5	133.2	0	0	112	K114 N115	E111-K114 PolarHBondContact O-N 3.27Å; E111-K114 WeakPolarHBondContact OE1-CD 3.48Å; E111-K114 IonicContact OE1-NZ 2.8Å; E111-K114 PolarHBondContact OE1-NZ 3.3Å; E111-K114 IonicContact OE2-NZ 3.43Å; E111-K114 PolarHBondContact OE2-NZ 3.05Å; E111-N115 VanDerWaalsContact O-CB 3.31Å; E111-N115 WeakPolarHBondContact O-CB 3.39Å; E111-N115 PolarHBondContact O-N 2.91Å; E111-N115 PolarHBondContact O-ND2 3.02Å
112	K	98.8	Very high	98.7	Very high	78 Å²	78	54.8 Å²	54.8	34%	0.339	27%	0.265	S	S	.	.	H	α-helix	trans	-61.7	-46.7	171.5	-179.7	174.1	174.7	-179.7	0	111.2	E108 D109 L110 W116 F244 V248 D251	E108-K112 WeakPolarHBondContact O-CB 3.39Å; E108-K112 PolarHBondContact O-N 3.24Å; D109-K112 PolarHBondContact O-N 3.06Å; L110-K112 VanDerWaalsContact C-N 3.27Å; L110-K112 PolarHBondContact O-N 2.86Å; K112-W116 WeakPolarHBondContact O-CB 3.44Å; K112-W116 PolarHBondContact O-N 2.87Å; K112-F244 HydrophobicContact CG-CE2 3.93Å; K112-F244 HydrophobicContact CG-CZ 4.06Å; K112-V248 HydrophobicContact CD-CG2 4.1Å; K112-V248 HydrophobicContact CG-CG2 4.24Å; K112-D251 IonicContact NZ-OD2 3.52Å; K112-D251 PolarHBondContact NZ-OD2 3.13Å
113	V	98.9	Very high	98.5	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-44.9	174.2	178.1	0	0	0	0	111.7	C39 L42 M43 D109 L110 W116 Q117 F244 V248	C39-V113 HydrophobicContact CB-CG1 3.93Å; L42-V113 HydrophobicContact CD2-CG2 4Å; M43-V113 HydrophobicContact CG-CB 3.86Å; M43-V113 HydrophobicContact CG-CG1 3.61Å; M43-V113 HydrophobicContact SD-CB 4.33Å; M43-V113 HydrophobicContact SD-CG1 4.1Å; D109-V113 WeakPolarHBondContact O-CG2 3.49Å; D109-V113 PolarHBondContact O-N 3.03Å; D109-V113 VanDerWaalsContact O-N 3.11Å; L110-V113 PolarHBondContact O-N 2.85Å; V113-W116 PolarHBondContact O-N 3.39Å; V113-Q117 VanDerWaalsContact O-CB 3.3Å; V113-Q117 WeakPolarHBondContact O-CB 3.5Å; V113-Q117 PolarHBondContact O-N 3.17Å; V113-F244 HydrophobicContact CB-CE1 4.49Å; V113-F244 HydrophobicContact CG2-CE1 4.21Å; V113-F244 HydrophobicContact CG2-CZ 4.33Å; V113-V248 HydrophobicContact CG2-CB 4.38Å; V113-V248 HydrophobicContact CG2-CG1 3.7Å; V113-V248 HydrophobicContact CG2-CG2 4.05Å
114	K	98.8	Very high	98.3	Very high	88 Å²	88	61.2 Å²	61.2	38%	0.383	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-43.9	-179	-174.1	175.5	158.3	-145.5	0	112.8	M43 L110 E111 K118	M43-K114 HydrophobicContact SD-CB 3.56Å; M43-K114 VanDerWaalsContact SD-CB 3.56Å; M43-K114 HydrophobicContact SD-CG 4.17Å; L110-K114 HydrophobicContact CD2-CD 4.32Å; L110-K114 WeakPolarHBondContact O-CB 3.43Å; L110-K114 PolarHBondContact O-N 2.77Å; E111-K114 PolarHBondContact O-N 3.27Å; E111-K114 WeakPolarHBondContact OE1-CD 3.48Å; E111-K114 IonicContact OE1-NZ 2.8Å; E111-K114 PolarHBondContact OE1-NZ 3.3Å; E111-K114 IonicContact OE2-NZ 3.43Å; E111-K114 PolarHBondContact OE2-NZ 3.05Å; K114-K118 WeakPolarHBondContact O-CB 3.38Å; K114-K118 PolarHBondContact O-N 3.15Å
115	N	98.8	Very high	97.9	Very high	79 Å²	79	68.3 Å²	68.3	42%	0.422	33%	0.327	S	S	.	.	H	α-helix	trans	-67.5	-46.6	176.7	-71.8	-40.6	0	0	0	110.8	E111 Q117 K118 D119	E111-N115 VanDerWaalsContact O-CB 3.31Å; E111-N115 WeakPolarHBondContact O-CB 3.39Å; E111-N115 PolarHBondContact O-N 2.91Å; E111-N115 PolarHBondContact O-ND2 3.02Å; N115-Q117 PolarHBondContact O-N 2.9Å; N115-K118 WeakPolarHBondContact O-CB 3.48Å; N115-K118 PolarHBondContact O-N 3.38Å; N115-D119 PolarHBondContact O-N 3.36Å
116	W	98.8	Very high	97.4	Very high	52 Å²	52	77 Å²	77	20%	0.197	37%	0.37	C	S	.	.	H	α-helix	trans	-59.7	-44.1	175.8	-176.3	93.6	0	0	0	112.4	K112 V113 K118 D119 A120 Y121 K240 R241 F244	K112-W116 WeakPolarHBondContact O-CB 3.44Å; K112-W116 PolarHBondContact O-N 2.87Å; V113-W116 PolarHBondContact O-N 3.39Å; W116-K118 VanDerWaalsContact C-N 3.34Å; W116-K118 PolarHBondContact O-N 2.71Å; W116-D119 PolarHBondContact O-N 3.22Å; W116-A120 HydrophobicContact CD2-CB 4.3Å; W116-A120 HydrophobicContact CE3-CB 4.19Å; W116-A120 HydrophobicContact CH2-CB 3.84Å; W116-A120 HydrophobicContact CZ2-CB 4.02Å; W116-A120 HydrophobicContact CZ3-CB 3.97Å; W116-A120 WeakPolarHBondContact O-CB 3.37Å; W116-A120 PolarHBondContact O-N 3.16Å; W116-Y121 HydrophobicContact CH2-CE2 4.3Å; W116-Y121 AromaticContact CZ3-CE2 3.88Å; W116-Y121 HydrophobicContact CZ3-CE2 3.88Å; W116-K240 HydrophobicContact CZ2-CB 4.5Å; W116-R241 HydrophobicContact CH2-CB 3.61Å; W116-R241 HydrophobicContact CH2-CG 3.63Å; W116-R241 HydrophobicContact CZ2-CB 4.18Å; W116-R241 HydrophobicContact CZ3-CB 4.41Å; W116-R241 HydrophobicContact CZ3-CG 3.93Å; W116-F244 HydrophobicContact CB-CD1 4.19Å; W116-F244 HydrophobicContact CB-CD2 4.34Å; W116-F244 HydrophobicContact CB-CE1 3.58Å; W116-F244 HydrophobicContact CB-CE2 3.73Å; W116-F244 HydrophobicContact CB-CZ 3.32Å; W116-F244 AromaticContact CD1-CD1 3.98Å; W116-F244 AromaticContact CD1-CD2 3.55Å; W116-F244 AromaticContact CD1-CE2 3.78Å; W116-F244 AromaticContact CD1-CG 3.66Å; W116-F244 AromaticContact CD2-CD1 3.42Å; W116-F244 HydrophobicContact CD2-CD1 3.42Å; W116-F244 VanDerWaalsContact CD2-CD1 3.42Å; W116-F244 HydrophobicContact CD2-CD2 4.41Å; W116-F244 AromaticContact CD2-CE1 3.67Å; W116-F244 HydrophobicContact CD2-CE1 3.67Å; W116-F244 AromaticContact CD2-CG 3.85Å; W116-F244 HydrophobicContact CD2-CG 3.85Å; W116-F244 HydrophobicContact CD2-CZ 4.26Å; W116-F244 AromaticContact CE2-CD1 3.84Å; W116-F244 AromaticContact CE2-CG 3.87Å; W116-F244 AromaticContact CE3-CD1 3.73Å; W116-F244 HydrophobicContact CE3-CD1 3.73Å; W116-F244 AromaticContact CE3-CE1 3.86Å; W116-F244 HydrophobicContact CE3-CE1 3.86Å; W116-F244 AromaticContact CG-CD1 3.6Å; W116-F244 HydrophobicContact CG-CD1 3.6Å; W116-F244 AromaticContact CG-CD2 3.85Å; W116-F244 HydrophobicContact CG-CD2 3.85Å; W116-F244 AromaticContact CG-CE1 3.52Å; W116-F244 HydrophobicContact CG-CE1 3.52Å; W116-F244 AromaticContact CG-CE2 3.75Å; W116-F244 HydrophobicContact CG-CE2 3.75Å; W116-F244 AromaticContact CG-CG 3.77Å; W116-F244 HydrophobicContact CG-CG 3.77Å; W116-F244 AromaticContact CG-CZ 3.6Å; W116-F244 HydrophobicContact CG-CZ 3.6Å; W116-F244 HydrophobicContact CZ2-CB 4.47Å; W116-F244 HydrophobicContact CZ3-CD1 4.42Å; W116-F244 AromaticContact NE1-CD2 3.97Å; W116-F244 AromaticContact NE1-CG 3.68Å
117	Q	98.7	Very high	97	Very high	19 Å²	19	77.4 Å²	77.4	9%	0.089	38%	0.384	C	S	.	.	H	α-helix	trans	-60.6	-43.6	177	-176.8	-163.1	57.7	0	0	111.2	H36 C39 N40 V113 N115 D119 A120 Y121	H36-Q117 PolarHBondContact CE1-NE2 3.35Å; H36-Q117 PolarHBondContact O-NE2 3.32Å; C39-Q117 HydrophobicContact CB-CB 4.15Å; C39-Q117 HydrophobicContact CB-CG 4Å; N40-Q117 PolarHBondContact OD1-NE2 3.16Å; V113-Q117 VanDerWaalsContact O-CB 3.3Å; V113-Q117 WeakPolarHBondContact O-CB 3.5Å; V113-Q117 PolarHBondContact O-N 3.17Å; N115-Q117 PolarHBondContact O-N 2.9Å; Q117-D119 VanDerWaalsContact C-N 3.33Å; Q117-D119 PolarHBondContact O-N 3.1Å; Q117-A120 PolarHBondContact O-N 3.14Å; Q117-Y121 HydrophobicContact CG-CD2 3.98Å; Q117-Y121 WeakPolarHBondContact O-CB 3.35Å; Q117-Y121 WeakPolarHBondContact O-CD2 3.45Å; Q117-Y121 PolarHBondContact O-N 2.93Å
118	K	98.3	Very high	96.8	Very high	142 Å²	142	74.5 Å²	74.5	62%	0.617	38%	0.38	S	S	*	.	H	α-helix	trans	-63.1	-38.2	177.9	179.9	-170.9	169.1	-159.9	0	112.6	K114 N115 W116	K114-K118 WeakPolarHBondContact O-CB 3.38Å; K114-K118 PolarHBondContact O-N 3.15Å; N115-K118 WeakPolarHBondContact O-CB 3.48Å; N115-K118 PolarHBondContact O-N 3.38Å; W116-K118 VanDerWaalsContact C-N 3.34Å; W116-K118 PolarHBondContact O-N 2.71Å
119	D	98.4	Very high	96.8	Very high	113 Å²	113	71 Å²	71	60%	0.604	36%	0.363	S	S	*	.	H	α-helix	trans	-82.2	-22.4	-179.3	-65.1	-14.6	0	0	0	112.6	N115 W116 Q117 H122	N115-D119 PolarHBondContact O-N 3.36Å; W116-D119 PolarHBondContact O-N 3.22Å; Q117-D119 VanDerWaalsContact C-N 3.33Å; Q117-D119 PolarHBondContact O-N 3.1Å; D119-H122 PolarHBondContact O-CE1 2.83Å
120	A	98.3	Very high	96.8	Very high	16 Å²	16	74.9 Å²	74.9	13%	0.132	38%	0.38	C	S	.	.	H	α-helix	trans	-88.8	-27.3	178	0	0	0	0	0	114.2	W116 Q117 F237	W116-A120 HydrophobicContact CD2-CB 4.3Å; W116-A120 HydrophobicContact CE3-CB 4.19Å; W116-A120 HydrophobicContact CH2-CB 3.84Å; W116-A120 HydrophobicContact CZ2-CB 4.02Å; W116-A120 HydrophobicContact CZ3-CB 3.97Å; W116-A120 WeakPolarHBondContact O-CB 3.37Å; W116-A120 PolarHBondContact O-N 3.16Å; Q117-A120 PolarHBondContact O-N 3.14Å; A120-F237 HydrophobicContact CB-CZ 4.49Å
121	Y	98.5	Very high	96.8	Very high	9 Å²	9	75.1 Å²	75.1	4%	0.035	38%	0.381	C	S	.	.			trans	-128.8	109.7	-170.3	-65.6	-78.3	0	0	0	113.2	I32 G35 H36 W116 Q117 F129 F237	I32-Y121 HydrophobicContact CG2-CD1 4.48Å; I32-Y121 HydrophobicContact CG2-CE1 3.94Å; I32-Y121 WeakPolarHBondContact O-CE1 3.48Å; I32-Y121 PolarHBondContact O-OH 3.34Å; G35-Y121 WeakPolarHBondContact CA-OH 3.17Å; H36-Y121 HydrophobicContact CB-CD1 3.87Å; H36-Y121 HydrophobicContact CB-CD2 3.9Å; H36-Y121 HydrophobicContact CB-CE1 3.86Å; H36-Y121 HydrophobicContact CB-CE2 3.9Å; H36-Y121 HydrophobicContact CB-CG 3.88Å; H36-Y121 AromaticContact CD2-CD2 3.91Å; H36-Y121 AromaticContact CD2-CG 3.8Å; H36-Y121 PolarHBondContact N-OH 2.84Å; W116-Y121 HydrophobicContact CH2-CE2 4.3Å; W116-Y121 AromaticContact CZ3-CE2 3.88Å; W116-Y121 HydrophobicContact CZ3-CE2 3.88Å; Q117-Y121 HydrophobicContact CG-CD2 3.98Å; Q117-Y121 WeakPolarHBondContact O-CB 3.35Å; Q117-Y121 WeakPolarHBondContact O-CD2 3.45Å; Q117-Y121 PolarHBondContact O-N 2.93Å; Y121-F129 HydrophobicContact CD1-CG 4.38Å; Y121-F237 HydrophobicContact CD1-CE1 4.46Å; Y121-F237 HydrophobicContact CD1-CZ 4.09Å; Y121-F237 AromaticContact CE1-CE1 3.6Å; Y121-F237 HydrophobicContact CE1-CE1 3.6Å; Y121-F237 AromaticContact CE1-CZ 3.62Å; Y121-F237 HydrophobicContact CE1-CZ 3.62Å; Y121-F237 AromaticContact CZ-CE1 3.8Å; Y121-F237 AromaticContact CZ-CZ 3.86Å
122	H	98.5	Very high	96.8	Very high	90 Å²	90	72.9 Å²	72.9	42%	0.417	37%	0.371	S	S	.	.			trans	-102.4	106.5	-173.8	-59.1	87.8	0	0	0	111.6	D119 F129 K130 E131	D119-H122 PolarHBondContact O-CE1 2.83Å; H122-F129 CarbonylContact O-C 3.5Å; H122-F129 WeakPolarHBondContact O-CA 3.06Å; H122-K130 HydrophobicContact CB-CB 4.03Å; H122-K130 HydrophobicContact CB-CD 4.41Å; H122-K130 WeakPolarHBondContact O-CB 3.34Å; H122-K130 PolarHBondContact O-N 3.22Å; H122-E131 IonicContact CE1-OE1 2.91Å; H122-E131 IonicContact CG-OE1 3.65Å; H122-E131 PolarHBondContact N-OE2 3.43Å; H122-E131 IonicContact ND1-OE1 3.21Å; H122-E131 PolarHBondContact ND1-OE1 2.99Å; H122-E131 IonicContact ND1-OE2 2.74Å
123	K	96.3	Very high	96.7	Very high	165 Å²	165	74 Å²	74	72%	0.717	38%	0.376	S	S	*	.	B	Isolated β-bridge	trans	-61.7	135.8	177.7	-69.4	-176.1	178.8	178.8	0	112.1	F129	K123-F129 HydrophobicContact CG-CD1 3.98Å; K123-F129 HydrophobicContact CG-CE1 3.62Å
124	Q	94.8	Very high	96.7	Very high	68 Å²	68	79.2 Å²	79.2	32%	0.318	40%	0.4	S	S	.	.			trans	-95	155.6	175.5	-58.4	-158.2	-27.6	0	0	112.7	M126 G127 G128 K130	Q124-M126 PolarHBondContact O-N 3.42Å; Q124-G127 PolarHBondContact O-N 2.88Å; Q124-G127 VanDerWaalsContact O-N 3.07Å; Q124-G128 PolarHBondContact N-O 3.27Å; Q124-K130 HydrophobicContact CG-CB 4.24Å
125	I	90.3	Very high	96.7	Very high	182 Å²	182	75.4 Å²	75.4	93%	0.933	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-34.8	179.4	-61.6	173.9	0	0	0	112.2	G127	I125-G127 VanDerWaalsContact C-N 3.33Å
126	M	87.9	Confident	96.7	Very high	185 Å²	185	74.5 Å²	74.5	91%	0.911	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	20.3	180	-61	-140.5	-79	0	0	113.5	Q124	Q124-M126 PolarHBondContact O-N 3.42Å
127	G	90.3	Very high	96.7	Very high	48 Å²	48	75.6 Å²	75.6	50%	0.495	39%	0.388	S	S	.	.	S	Bend	trans	83.4	166.1	-176.2	0	0	0	0	0	113.6	Q124 I125	Q124-G127 PolarHBondContact O-N 2.88Å; Q124-G127 VanDerWaalsContact O-N 3.07Å; I125-G127 VanDerWaalsContact C-N 3.33Å
128	G	94.7	Very high	96.6	Very high	49 Å²	49	75.7 Å²	75.7	51%	0.505	39%	0.394	S	S	.	.	S	Bend	trans	73.4	178.9	-173.9	0	0	0	0	0	114.1	Q124	Q124-G128 PolarHBondContact N-O 3.27Å
129	F	98.1	Very high	96.7	Very high	24 Å²	24	68.9 Å²	68.9	11%	0.105	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-101.9	150.8	176.1	-57.5	-75	0	0	0	111.7	D33 H36 Y121 H122 K123 E131 K133	D33-F129 WeakPolarHBondContact OD1-CD2 3.36Å; H36-F129 HydrophobicContact CB-CE2 3.92Å; H36-F129 HydrophobicContact CB-CZ 3.97Å; H36-F129 AromaticContact CD2-CE1 3.44Å; H36-F129 VanDerWaalsContact CD2-CE1 3.44Å; H36-F129 WeakPolarHBondContact CD2-CE1 3.37Å; H36-F129 AromaticContact CD2-CZ 3.24Å; H36-F129 WeakPolarHBondContact CD2-CZ 3.47Å; H36-F129 AromaticContact CE1-CZ 3.69Å; H36-F129 AromaticContact CG-CE2 3.8Å; H36-F129 AromaticContact CG-CZ 3.34Å; H36-F129 AromaticContact ND1-CZ 3.61Å; H36-F129 AromaticContact NE2-CE1 3.67Å; H36-F129 AromaticContact NE2-CZ 3.46Å; H36-F129 WeakPolarHBondContact NE2-CZ 2.88Å; Y121-F129 HydrophobicContact CD1-CG 4.38Å; H122-F129 CarbonylContact O-C 3.5Å; H122-F129 WeakPolarHBondContact O-CA 3.06Å; K123-F129 HydrophobicContact CG-CD1 3.98Å; K123-F129 HydrophobicContact CG-CE1 3.62Å; F129-E131 VanDerWaalsContact C-N 3.3Å; F129-E131 PolarHBondContact O-N 3.44Å; F129-K133 PolarHBondContact O-N 3.45Å
130	K	98.2	Very high	96.7	Very high	83 Å²	83	71 Å²	71	36%	0.361	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-44	176.4	178.2	-165.3	161.2	-158.8	0	111	H122 Q124 K133 E134	H122-K130 HydrophobicContact CB-CB 4.03Å; H122-K130 HydrophobicContact CB-CD 4.41Å; H122-K130 WeakPolarHBondContact O-CB 3.34Å; H122-K130 PolarHBondContact O-N 3.22Å; Q124-K130 HydrophobicContact CG-CB 4.24Å; K130-K133 PolarHBondContact O-N 2.91Å; K130-E134 VanDerWaalsContact CE-CD 3.42Å; K130-E134 WeakPolarHBondContact CE-OE1 3.35Å; K130-E134 WeakPolarHBondContact CE-OE2 3.19Å; K130-E134 HydrophobicContact CG-CG 4.42Å; K130-E134 IonicContact NZ-OE1 3.56Å; K130-E134 WeakPolarHBondContact O-CG 3.39Å; K130-E134 PolarHBondContact O-N 2.96Å
131	E	98.4	Very high	96.7	Very high	25 Å²	25	78.4 Å²	78.4	12%	0.117	39%	0.393	C	S	.	.	H	α-helix	trans	-62.5	-45.3	-177.2	-64.2	65.4	-141.4	0	0	110.8	I32 H122 F129 K133 E134 A135 F237	I32-E131 HydrophobicContact CG2-CB 4.02Å; H122-E131 IonicContact CE1-OE1 2.91Å; H122-E131 IonicContact CG-OE1 3.65Å; H122-E131 PolarHBondContact N-OE2 3.43Å; H122-E131 IonicContact ND1-OE1 3.21Å; H122-E131 PolarHBondContact ND1-OE1 2.99Å; H122-E131 IonicContact ND1-OE2 2.74Å; F129-E131 VanDerWaalsContact C-N 3.3Å; F129-E131 PolarHBondContact O-N 3.44Å; E131-K133 VanDerWaalsContact C-N 3.34Å; E131-K133 PolarHBondContact O-N 3.44Å; E131-E134 PolarHBondContact O-N 3.22Å; E131-A135 PolarHBondContact O-N 3.17Å; E131-F237 HydrophobicContact CB-CZ 4.44Å; E131-F237 HydrophobicContact CG-CE2 4.1Å; E131-F237 HydrophobicContact CG-CZ 4.23Å
132	T	98.4	Very high	96.7	Very high	15 Å²	15	78.4 Å²	78.4	9%	0.092	40%	0.395	C	S	.	.	H	α-helix	trans	-59.5	-43.8	174.5	-48.8	0	0	0	0	111.5	V29 I32 D33 A135 E136	V29-T132 HydrophobicContact CG1-CG2 3.55Å; I32-T132 WeakPolarHBondContact CG2-OG1 3.06Å; D33-T132 WeakPolarHBondContact OD1-CB 3.07Å; D33-T132 WeakPolarHBondContact OD1-CG2 3.27Å; D33-T132 PolarHBondContact OD1-OG1 3.03Å; D33-T132 WeakPolarHBondContact OD2-CG2 3.41Å; T132-A135 PolarHBondContact O-N 2.66Å; T132-E136 PolarHBondContact O-N 2.95Å
133	K	98	Very high	96.7	Very high	100 Å²	100	74.4 Å²	74.4	44%	0.435	38%	0.376	S	S	.	.	H	α-helix	trans	-68.2	-41	178.7	-177.6	173.7	179.8	175.3	0	112.7	F129 K130 E131 A135 E136 D137	F129-K133 PolarHBondContact O-N 3.45Å; K130-K133 PolarHBondContact O-N 2.91Å; E131-K133 VanDerWaalsContact C-N 3.34Å; E131-K133 PolarHBondContact O-N 3.44Å; K133-A135 VanDerWaalsContact C-N 3.29Å; K133-A135 PolarHBondContact O-N 3.49Å; K133-E136 PolarHBondContact O-N 3.42Å; K133-D137 WeakPolarHBondContact CE-OD2 3.48Å; K133-D137 WeakPolarHBondContact O-CB 3.27Å; K133-D137 PolarHBondContact O-N 3.15Å
134	E	98.3	Very high	96.7	Very high	112 Å²	112	74 Å²	74	52%	0.523	38%	0.375	S	S	.	.	H	α-helix	trans	-62.6	-38.1	177.4	-75.2	177.5	164.2	0	0	111.3	K130 E131 G138	K130-E134 VanDerWaalsContact CE-CD 3.42Å; K130-E134 WeakPolarHBondContact CE-OE1 3.35Å; K130-E134 WeakPolarHBondContact CE-OE2 3.19Å; K130-E134 HydrophobicContact CG-CG 4.42Å; K130-E134 IonicContact NZ-OE1 3.56Å; K130-E134 WeakPolarHBondContact O-CG 3.39Å; K130-E134 PolarHBondContact O-N 2.96Å; E131-E134 PolarHBondContact O-N 3.22Å; E134-G138 PolarHBondContact O-N 3.21Å
135	A	98.5	Very high	96.9	Very high	8 Å²	8	74.7 Å²	74.7	7%	0.066	39%	0.385	C	S	.	.	H	α-helix	trans	-66.1	-47.8	172.1	0	0	0	0	0	113	V29 I32 E131 T132 K133 G138 F139	V29-A135 HydrophobicContact CG2-CB 4.24Å; I32-A135 HydrophobicContact CD1-CB 3.5Å; E131-A135 PolarHBondContact O-N 3.17Å; T132-A135 PolarHBondContact O-N 2.66Å; K133-A135 VanDerWaalsContact C-N 3.29Å; K133-A135 PolarHBondContact O-N 3.49Å; A135-G138 PolarHBondContact O-N 3.45Å; A135-F139 VanDerWaalsContact O-CD2 3.24Å; A135-F139 WeakPolarHBondContact O-CD2 3.44Å; A135-F139 PolarHBondContact O-N 2.89Å
136	E	98.4	Very high	97.2	Very high	59 Å²	59	67.2 Å²	67.2	28%	0.276	35%	0.345	S	S	.	.	H	α-helix	trans	-59.7	-49.6	177.6	-179.2	69.6	-166.9	0	0	111.8	Y25 V29 T132 K133 G138 F139 R140	Y25-E136 WeakPolarHBondContact CE2-OE2 3.47Å; V29-E136 HydrophobicContact CG1-CB 4.16Å; T132-E136 PolarHBondContact O-N 2.95Å; K133-E136 PolarHBondContact O-N 3.42Å; E136-G138 VanDerWaalsContact C-N 3.29Å; E136-G138 PolarHBondContact O-N 3.36Å; E136-F139 PolarHBondContact O-N 2.76Å; E136-R140 WeakPolarHBondContact O-CB 3.46Å; E136-R140 PolarHBondContact O-N 3.36Å
137	D	98.4	Very high	97.6	Very high	76 Å²	76	59.5 Å²	59.5	41%	0.406	31%	0.311	S	S	.	.	H	α-helix	trans	-65.3	-33.5	177.6	-81.8	-34.9	0	0	0	111.4	K133 K141	K133-D137 WeakPolarHBondContact CE-OD2 3.48Å; K133-D137 WeakPolarHBondContact O-CB 3.27Å; K133-D137 PolarHBondContact O-N 3.15Å; D137-K141 WeakPolarHBondContact O-CB 3.13Å; D137-K141 PolarHBondContact O-N 2.86Å
138	G	98.6	Very high	98	Very high	20 Å²	20	63.8 Å²	63.8	21%	0.206	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-58.2	172.5	0	0	0	0	0	112.9	E134 A135 E136 R140 K141 A142	E134-G138 PolarHBondContact O-N 3.21Å; A135-G138 PolarHBondContact O-N 3.45Å; E136-G138 VanDerWaalsContact C-N 3.29Å; E136-G138 PolarHBondContact O-N 3.36Å; G138-R140 VanDerWaalsContact C-N 3.34Å; G138-R140 PolarHBondContact O-N 3.09Å; G138-K141 WeakPolarHBondContact O-CB 3.48Å; G138-K141 PolarHBondContact O-N 3.36Å; G138-K141 VanDerWaalsContact O-N 3.17Å; G138-A142 PolarHBondContact O-N 2.86Å
139	F	98.8	Very high	98	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.7	-41.9	178.2	-76	-59.5	0	0	0	112	F19 Y25 T28 V29 A135 E136 K141 A142 Q143 M227 V230 F231	F19-F139 HydrophobicContact CE2-CE1 4.1Å; F19-F139 HydrophobicContact CE2-CZ 4.37Å; F19-F139 AromaticContact CZ-CE1 3.86Å; F19-F139 HydrophobicContact CZ-CE1 3.86Å; F19-F139 HydrophobicContact CZ-CZ 4.49Å; Y25-F139 HydrophobicContact CD1-CB 3.84Å; Y25-F139 HydrophobicContact CD1-CG 4.34Å; Y25-F139 HydrophobicContact CD2-CB 3.37Å; Y25-F139 AromaticContact CD2-CD2 3.65Å; Y25-F139 HydrophobicContact CD2-CD2 3.65Å; Y25-F139 AromaticContact CD2-CG 3.65Å; Y25-F139 HydrophobicContact CD2-CG 3.65Å; Y25-F139 HydrophobicContact CE1-CB 3.96Å; Y25-F139 HydrophobicContact CE2-CB 3.54Å; Y25-F139 HydrophobicContact CE2-CD2 4.44Å; Y25-F139 HydrophobicContact CE2-CG 4.31Å; Y25-F139 HydrophobicContact CG-CB 3.54Å; Y25-F139 HydrophobicContact CG-CD1 4.17Å; Y25-F139 HydrophobicContact CG-CD2 4.01Å; Y25-F139 AromaticContact CG-CG 3.67Å; Y25-F139 HydrophobicContact CG-CG 3.67Å; T28-F139 HydrophobicContact CG2-CE2 4.16Å; T28-F139 HydrophobicContact CG2-CZ 4.07Å; V29-F139 HydrophobicContact CG2-CD2 3.63Å; V29-F139 HydrophobicContact CG2-CE2 3.9Å; A135-F139 VanDerWaalsContact O-CD2 3.24Å; A135-F139 WeakPolarHBondContact O-CD2 3.44Å; A135-F139 PolarHBondContact O-N 2.89Å; E136-F139 PolarHBondContact O-N 2.76Å; F139-K141 VanDerWaalsContact C-N 3.29Å; F139-K141 PolarHBondContact O-N 3.2Å; F139-A142 PolarHBondContact O-N 3.11Å; F139-Q143 WeakPolarHBondContact O-CB 3.29Å; F139-Q143 PolarHBondContact O-N 3Å; F139-M227 HydrophobicContact CD1-CE 3.73Å; F139-M227 HydrophobicContact CD1-SD 3.86Å; F139-M227 HydrophobicContact CE1-CE 4.29Å; F139-V230 HydrophobicContact CD1-CB 3.9Å; F139-V230 HydrophobicContact CD1-CG1 3.76Å; F139-V230 HydrophobicContact CD2-CG1 3.83Å; F139-V230 HydrophobicContact CE1-CB 3.81Å; F139-V230 HydrophobicContact CE1-CG1 3.76Å; F139-V230 HydrophobicContact CE2-CG1 3.84Å; F139-V230 HydrophobicContact CG-CB 4.41Å; F139-V230 HydrophobicContact CG-CG1 3.8Å; F139-V230 HydrophobicContact CZ-CB 4.26Å; F139-V230 HydrophobicContact CZ-CG1 3.81Å; F139-F231 HydrophobicContact CE1-CB 4.12Å; F139-F231 HydrophobicContact CZ-CB 4.14Å; F139-F231 HydrophobicContact CZ-CD2 4.47Å
140	R	98.4	Very high	98	Very high	157 Å²	157	64.7 Å²	64.7	59%	0.592	31%	0.307	S	S	*	.	H	α-helix	trans	-60.4	-38.8	176	-174.2	-178.7	-178.6	-158.9	4.7	111.8	E136 G138 K144	E136-R140 WeakPolarHBondContact O-CB 3.46Å; E136-R140 PolarHBondContact O-N 3.36Å; G138-R140 VanDerWaalsContact C-N 3.34Å; G138-R140 PolarHBondContact O-N 3.09Å; R140-K144 WeakPolarHBondContact O-CB 3.48Å; R140-K144 PolarHBondContact O-N 3.19Å; R140-K144 VanDerWaalsContact O-N 3.15Å
141	K	98.6	Very high	97.9	Very high	172 Å²	172	68.7 Å²	68.7	75%	0.748	33%	0.325	S	S	*	.	H	α-helix	trans	-67.3	-44	175	-177.9	-174.6	174.9	-167.7	0	111.6	D137 G138 F139	D137-K141 WeakPolarHBondContact O-CB 3.13Å; D137-K141 PolarHBondContact O-N 2.86Å; G138-K141 WeakPolarHBondContact O-CB 3.48Å; G138-K141 PolarHBondContact O-N 3.36Å; G138-K141 VanDerWaalsContact O-N 3.17Å; F139-K141 VanDerWaalsContact C-N 3.29Å; F139-K141 PolarHBondContact O-N 3.2Å
142	A	98.4	Very high	97.9	Very high	8 Å²	8	70.7 Å²	70.7	7%	0.066	33%	0.334	C	S	.	.	H	α-helix	trans	-63.4	-46.2	178.3	0	0	0	0	0	112.9	G138 F139 P145 N226 M227	G138-A142 PolarHBondContact O-N 2.86Å; F139-A142 PolarHBondContact O-N 3.11Å; A142-P145 WeakPolarHBondContact O-CD 3.13Å; A142-N226 HydrophobicContact CB-CB 3.67Å; A142-M227 HydrophobicContact CB-CG 4.25Å; A142-M227 HydrophobicContact CB-SD 3.77Å
143	Q	98.4	Very high	97.8	Very high	7 Å²	7	70.5 Å²	70.5	3%	0.033	33%	0.332	C	S	.	.	H	α-helix	trans	-81.2	-26.7	-174.5	-169.4	172.1	78.4	0	0	114	E21 V22 Y25 F139 P145 W146 A147 Y223 M227	E21-Q143 PolarHBondContact O-NE2 2.92Å; V22-Q143 VanDerWaalsContact CA-OE1 3.31Å; Y25-Q143 VanDerWaalsContact CE1-OE1 3.31Å; F139-Q143 WeakPolarHBondContact O-CB 3.29Å; F139-Q143 PolarHBondContact O-N 3Å; Q143-P145 VanDerWaalsContact C-CD 3.49Å; Q143-W146 HydrophobicContact CG-CE3 4.48Å; Q143-W146 PolarHBondContact O-N 3.39Å; Q143-W146 VanDerWaalsContact O-N 3.16Å; Q143-A147 HydrophobicContact CG-CB 4.3Å; Q143-A147 WeakPolarHBondContact O-CB 3.44Å; Q143-A147 PolarHBondContact O-N 3.26Å; Q143-Y223 HydrophobicContact CB-CE2 3.85Å; Q143-Y223 HydrophobicContact CG-CE2 3.62Å; Q143-Y223 PolarHBondContact NE2-OH 3.42Å; Q143-M227 HydrophobicContact CB-SD 3.91Å
144	K	97.8	Very high	97.7	Very high	157 Å²	157	68.1 Å²	68.1	68%	0.683	32%	0.323	S	S	*	.	H	α-helix	trans	-52.2	-42.6	-173.5	176.1	179.4	-177.4	-176	0	115.6	R140 K148	R140-K144 WeakPolarHBondContact O-CB 3.48Å; R140-K144 PolarHBondContact O-N 3.19Å; R140-K144 VanDerWaalsContact O-N 3.15Å; K144-K148 PolarHBondContact O-N 3.08Å
145	P	97.2	Very high	97.7	Very high	81 Å²	81	65.8 Å²	65.8	53%	0.526	32%	0.323	S	S	.	.	H	α-helix	trans	-64.6	-44.7	178.5	-20.9	33.9	0	0	0	112.3	A142 Q143 K148 K149	A142-P145 WeakPolarHBondContact O-CD 3.13Å; Q143-P145 VanDerWaalsContact C-CD 3.49Å; P145-K148 PolarHBondContact O-N 3.43Å; P145-K149 PolarHBondContact O-N 3.07Å
146	W	98	Very high	97.7	Very high	25 Å²	25	65.5 Å²	65.5	10%	0.095	32%	0.32	C	S	.	.	H	α-helix	trans	-70.8	-44.1	-179	-176.2	84.9	0	0	0	112	V22 Q143 K148 K149 M150 T220 Y223	V22-W146 HydrophobicContact CG2-CE3 4.4Å; V22-W146 HydrophobicContact CG2-CZ3 3.89Å; Q143-W146 HydrophobicContact CG-CE3 4.48Å; Q143-W146 PolarHBondContact O-N 3.39Å; Q143-W146 VanDerWaalsContact O-N 3.16Å; W146-K148 PolarHBondContact O-N 3.4Å; W146-K149 CarbonylContact O-C 3.53Å; W146-K149 WeakPolarHBondContact O-CA 3.22Å; W146-K149 WeakPolarHBondContact O-CB 3.15Å; W146-K149 PolarHBondContact O-N 3.19Å; W146-M150 HydrophobicContact CD2-CG 3.8Å; W146-M150 HydrophobicContact CE3-CG 3.87Å; W146-M150 HydrophobicContact CH2-CE 4.25Å; W146-M150 HydrophobicContact CH2-CG 3.67Å; W146-M150 HydrophobicContact CH2-SD 4.12Å; W146-M150 HydrophobicContact CZ2-CE 4.24Å; W146-M150 HydrophobicContact CZ2-CG 3.59Å; W146-M150 HydrophobicContact CZ2-SD 3.65Å; W146-M150 HydrophobicContact CZ3-CG 3.82Å; W146-M150 PolarHBondContact O-N 3.18Å; W146-T220 PolarHBondContact NE1-OG1 2.88Å; W146-Y223 HydrophobicContact CB-CD1 4.21Å; W146-Y223 HydrophobicContact CB-CD2 3.85Å; W146-Y223 HydrophobicContact CB-CE2 4.49Å; W146-Y223 HydrophobicContact CB-CG 3.68Å; W146-Y223 AromaticContact CD1-CD1 3.83Å; W146-Y223 AromaticContact CD2-CD1 3.62Å; W146-Y223 HydrophobicContact CD2-CD1 3.62Å; W146-Y223 HydrophobicContact CD2-CD2 4.43Å; W146-Y223 AromaticContact CD2-CE1 3.64Å; W146-Y223 HydrophobicContact CD2-CE1 3.64Å; W146-Y223 HydrophobicContact CD2-CE2 4.46Å; W146-Y223 HydrophobicContact CD2-CG 4.02Å; W146-Y223 AromaticContact CE2-CD1 3.84Å; W146-Y223 AromaticContact CE2-CE1 3.88Å; W146-Y223 HydrophobicContact CE3-CD1 4.12Å; W146-Y223 AromaticContact CE3-CE1 3.68Å; W146-Y223 HydrophobicContact CE3-CE1 3.68Å; W146-Y223 HydrophobicContact CE3-CE2 4.16Å; W146-Y223 AromaticContact CE3-CZ 3.7Å; W146-Y223 AromaticContact CG-CD1 3.64Å; W146-Y223 HydrophobicContact CG-CD1 3.64Å; W146-Y223 HydrophobicContact CG-CD2 4.15Å; W146-Y223 HydrophobicContact CG-CE1 4.15Å; W146-Y223 AromaticContact CG-CG 3.63Å; W146-Y223 HydrophobicContact CG-CG 3.63Å; W146-Y223 HydrophobicContact CH2-CE1 4.22Å; W146-Y223 HydrophobicContact CZ2-CE1 4.18Å; W146-Y223 AromaticContact CZ3-CE1 3.97Å; W146-Y223 HydrophobicContact CZ3-CE1 3.97Å; W146-Y223 AromaticContact NE1-CD1 3.92Å
147	A	96.7	Very high	97.7	Very high	24 Å²	24	64.8 Å²	64.8	20%	0.198	32%	0.316	C	S	.	.	H	α-helix	trans	-59.1	-33.8	174.5	0	0	0	0	0	112.7	V22 Q143 K151	V22-A147 HydrophobicContact CG1-CB 4Å; V22-A147 HydrophobicContact CG2-CB 3.98Å; Q143-A147 HydrophobicContact CG-CB 4.3Å; Q143-A147 WeakPolarHBondContact O-CB 3.44Å; Q143-A147 PolarHBondContact O-N 3.26Å; A147-K151 PolarHBondContact O-N 2.88Å; A147-K151 VanDerWaalsContact O-N 3.09Å
148	K	96.9	Very high	97.6	Very high	138 Å²	138	67 Å²	67	60%	0.6	32%	0.322	S	S	*	.	H	α-helix	trans	-64.4	-44.2	171.4	-174.1	-171.3	172.6	-162.8	0	111.3	K144 P145 W146 K151 E152	K144-K148 PolarHBondContact O-N 3.08Å; P145-K148 PolarHBondContact O-N 3.43Å; W146-K148 PolarHBondContact O-N 3.4Å; K148-K151 PolarHBondContact O-N 3.02Å; K148-E152 VanDerWaalsContact CE-OE1 3.25Å; K148-E152 WeakPolarHBondContact CE-OE1 3.31Å; K148-E152 IonicContact NZ-OE1 3.8Å; K148-E152 PolarHBondContact O-N 3.25Å
149	K	96.3	Very high	97.6	Very high	44 Å²	44	68 Å²	68	19%	0.191	33%	0.328	C	S	.	.	H	α-helix	trans	-67.3	-38.7	178.1	-80.5	-74.4	174.3	-168.2	0	112.9	P145 W146 K151 E152 L153 D215 V216	P145-K149 PolarHBondContact O-N 3.07Å; W146-K149 CarbonylContact O-C 3.53Å; W146-K149 WeakPolarHBondContact O-CA 3.22Å; W146-K149 WeakPolarHBondContact O-CB 3.15Å; W146-K149 PolarHBondContact O-N 3.19Å; K149-K151 VanDerWaalsContact C-N 3.31Å; K149-K151 PolarHBondContact O-N 3.46Å; K149-E152 WeakPolarHBondContact CD-OE2 3.31Å; K149-E152 WeakPolarHBondContact CE-OE2 3.47Å; K149-E152 IonicContact NZ-OE2 2.62Å; K149-E152 PolarHBondContact NZ-OE2 3.43Å; K149-E152 WeakPolarHBondContact O-CB 3.48Å; K149-E152 PolarHBondContact O-N 3.33Å; K149-E152 VanDerWaalsContact O-N 3.13Å; K149-L153 PolarHBondContact O-N 2.92Å; K149-D215 HydrophobicContact CD-CB 4.22Å; K149-D215 IonicContact NZ-OD2 3.16Å; K149-D215 PolarHBondContact NZ-OD2 3.44Å; K149-V216 HydrophobicContact CB-CG2 3.9Å
150	M	96.8	Very high	97.6	Very high	48 Å²	48	70.7 Å²	70.7	24%	0.236	34%	0.339	C	S	.	.	H	α-helix	trans	-61.1	-38.1	171	-70.4	-58.8	-70	0	0	112.4	W146 L153 E154 V216	W146-M150 HydrophobicContact CD2-CG 3.8Å; W146-M150 HydrophobicContact CE3-CG 3.87Å; W146-M150 HydrophobicContact CH2-CE 4.25Å; W146-M150 HydrophobicContact CH2-CG 3.67Å; W146-M150 HydrophobicContact CH2-SD 4.12Å; W146-M150 HydrophobicContact CZ2-CE 4.24Å; W146-M150 HydrophobicContact CZ2-CG 3.59Å; W146-M150 HydrophobicContact CZ2-SD 3.65Å; W146-M150 HydrophobicContact CZ3-CG 3.82Å; W146-M150 PolarHBondContact O-N 3.18Å; M150-L153 HydrophobicContact CE-CD2 4.33Å; M150-L153 WeakPolarHBondContact O-CB 3.38Å; M150-L153 PolarHBondContact O-N 3.21Å; M150-L153 HydrophobicContact SD-CD2 4.09Å; M150-E154 PolarHBondContact O-N 3.08Å; M150-V216 HydrophobicContact SD-CG1 3.8Å; M150-V216 HydrophobicContact SD-CG2 4.26Å
151	K	96.6	Very high	97.6	Very high	167 Å²	167	67.9 Å²	67.9	73%	0.726	33%	0.332	S	S	*	.	H	α-helix	trans	-66.6	-36.2	172.9	-171	176	-178	175.7	0	112.9	A147 K148 K149 L153 A155	A147-K151 PolarHBondContact O-N 2.88Å; A147-K151 VanDerWaalsContact O-N 3.09Å; K148-K151 PolarHBondContact O-N 3.02Å; K149-K151 VanDerWaalsContact C-N 3.31Å; K149-K151 PolarHBondContact O-N 3.46Å; K151-L153 VanDerWaalsContact C-N 3.35Å; K151-A155 WeakPolarHBondContact O-CB 3.23Å; K151-A155 PolarHBondContact O-N 3.1Å
152	E	97.4	Very high	97.5	Very high	66 Å²	66	64.3 Å²	64.3	31%	0.308	32%	0.321	S	S	.	.	H	α-helix	trans	-64.5	-39.9	171.4	-70.7	170.6	-161.8	0	0	111	K148 K149 A155 A156 V212	K148-E152 VanDerWaalsContact CE-OE1 3.25Å; K148-E152 WeakPolarHBondContact CE-OE1 3.31Å; K148-E152 IonicContact NZ-OE1 3.8Å; K148-E152 PolarHBondContact O-N 3.25Å; K149-E152 WeakPolarHBondContact CD-OE2 3.31Å; K149-E152 WeakPolarHBondContact CE-OE2 3.47Å; K149-E152 IonicContact NZ-OE2 2.62Å; K149-E152 PolarHBondContact NZ-OE2 3.43Å; K149-E152 WeakPolarHBondContact O-CB 3.48Å; K149-E152 PolarHBondContact O-N 3.33Å; K149-E152 VanDerWaalsContact O-N 3.13Å; E152-A155 PolarHBondContact O-N 3.03Å; E152-A156 PolarHBondContact O-N 3.01Å; E152-V212 HydrophobicContact CB-CG1 3.99Å
153	L	97.4	Very high	97.5	Very high	12 Å²	12	64.5 Å²	64.5	6%	0.063	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-50.9	178.6	-174.3	68.7	0	0	0	111.9	K149 M150 K151 A155 A156 K157 Y209 V212 L213 V216	K149-L153 PolarHBondContact O-N 2.92Å; M150-L153 HydrophobicContact CE-CD2 4.33Å; M150-L153 WeakPolarHBondContact O-CB 3.38Å; M150-L153 PolarHBondContact O-N 3.21Å; M150-L153 HydrophobicContact SD-CD2 4.09Å; K151-L153 VanDerWaalsContact C-N 3.35Å; L153-A155 VanDerWaalsContact C-N 3.28Å; L153-A155 PolarHBondContact O-N 3.2Å; L153-A156 PolarHBondContact O-N 3.47Å; L153-K157 WeakPolarHBondContact O-CB 3.39Å; L153-K157 PolarHBondContact O-N 3.33Å; L153-Y209 HydrophobicContact CD1-CD2 3.81Å; L153-Y209 HydrophobicContact CD1-CE2 3.47Å; L153-Y209 VanDerWaalsContact CD1-CE2 3.47Å; L153-Y209 HydrophobicContact CG-CE2 4.04Å; L153-V212 HydrophobicContact CB-CG1 3.94Å; L153-V212 HydrophobicContact CD1-CB 4.34Å; L153-V212 HydrophobicContact CD1-CG1 4.03Å; L153-L213 HydrophobicContact CD1-CB 3.84Å; L153-L213 HydrophobicContact CD1-CD1 3.97Å; L153-L213 HydrophobicContact CD2-CD1 4Å; L153-V216 HydrophobicContact CB-CG2 4.16Å; L153-V216 HydrophobicContact CD2-CG2 4.24Å
154	E	96.5	Very high	97.5	Very high	50 Å²	50	65.9 Å²	65.9	23%	0.234	33%	0.332	C	S	.	.	H	α-helix	trans	-61.6	-35.2	178.2	-81.3	-57.5	134.8	0	0	112.7	M150 K157 K158	M150-E154 PolarHBondContact O-N 3.08Å; E154-K157 VanDerWaalsContact CD-NZ 3.35Å; E154-K157 WeakPolarHBondContact OE1-CD 3.48Å; E154-K157 IonicContact OE1-NZ 2.84Å; E154-K157 PolarHBondContact OE1-NZ 2.96Å; E154-K157 IonicContact OE2-NZ 3.76Å; E154-K157 PolarHBondContact OE2-NZ 2.61Å; E154-K158 WeakPolarHBondContact O-CB 3.36Å; E154-K158 WeakPolarHBondContact O-CD 3.47Å; E154-K158 VanDerWaalsContact O-CG 3.23Å; E154-K158 WeakPolarHBondContact O-CG 3.4Å; E154-K158 PolarHBondContact O-N 2.89Å; E154-K158 WeakPolarHBondContact OE2-CE 3.47Å; E154-K158 IonicContact OE2-NZ 2.82Å
155	A	97.8	Very high	97.4	Very high	63 Å²	63	65.3 Å²	65.3	52%	0.521	33%	0.33	S	S	.	.	H	α-helix	trans	-67	-37.8	173	0	0	0	0	0	112.3	K151 E152 L153 A159	K151-A155 WeakPolarHBondContact O-CB 3.23Å; K151-A155 PolarHBondContact O-N 3.1Å; E152-A155 PolarHBondContact O-N 3.03Å; L153-A155 VanDerWaalsContact C-N 3.28Å; L153-A155 PolarHBondContact O-N 3.2Å; A155-A159 WeakPolarHBondContact O-CB 3.42Å; A155-A159 PolarHBondContact O-N 3.43Å; A155-A159 VanDerWaalsContact O-N 3.13Å
156	A	98.1	Very high	97.4	Very high	2 Å²	2	66.4 Å²	66.4	2%	0.017	33%	0.328	C	S	.	.	H	α-helix	trans	-71.9	-44.1	177.1	0	0	0	0	0	112.4	E152 L153 K158 A159 Y160 Y209 V212	E152-A156 PolarHBondContact O-N 3.01Å; L153-A156 PolarHBondContact O-N 3.47Å; A156-K158 PolarHBondContact O-N 3.12Å; A156-A159 PolarHBondContact O-N 2.93Å; A156-Y160 PolarHBondContact O-N 2.91Å; A156-Y209 HydrophobicContact CB-CD2 4.06Å; A156-V212 HydrophobicContact CB-CG2 4.5Å
157	K	97.9	Very high	97.3	Very high	44 Å²	44	67 Å²	67	19%	0.191	33%	0.332	C	S	.	.	H	α-helix	trans	-52.8	-50.7	172.1	178.7	179.6	155.5	-156.3	0	111.2	E13 L153 E154 A159 Y160 H161 Y209	E13-K157 IonicContact OE1-NZ 3.26Å; E13-K157 PolarHBondContact OE1-NZ 3.44Å; L153-K157 WeakPolarHBondContact O-CB 3.39Å; L153-K157 PolarHBondContact O-N 3.33Å; E154-K157 VanDerWaalsContact CD-NZ 3.35Å; E154-K157 WeakPolarHBondContact OE1-CD 3.48Å; E154-K157 IonicContact OE1-NZ 2.84Å; E154-K157 PolarHBondContact OE1-NZ 2.96Å; E154-K157 IonicContact OE2-NZ 3.76Å; E154-K157 PolarHBondContact OE2-NZ 2.61Å; K157-A159 PolarHBondContact O-N 2.88Å; K157-Y160 PolarHBondContact O-N 3.26Å; K157-H161 WeakPolarHBondContact O-CB 3.45Å; K157-H161 PolarHBondContact O-CD2 2.85Å; K157-H161 VanDerWaalsContact O-CG 3.31Å; K157-H161 PolarHBondContact O-N 3.47Å; K157-Y209 HydrophobicContact CB-CD2 4.04Å; K157-Y209 HydrophobicContact CB-CE2 3.59Å; K157-Y209 HydrophobicContact CG-CE2 4.27Å
158	K	98	Very high	97.3	Very high	123 Å²	123	73.2 Å²	73.2	54%	0.535	35%	0.354	S	S	.	.	H	α-helix	trans	-64.1	-38.1	178.5	-71.9	171	-172.5	-179.4	0	112.6	E154 A156 L162	E154-K158 WeakPolarHBondContact O-CB 3.36Å; E154-K158 WeakPolarHBondContact O-CD 3.47Å; E154-K158 VanDerWaalsContact O-CG 3.23Å; E154-K158 WeakPolarHBondContact O-CG 3.4Å; E154-K158 PolarHBondContact O-N 2.89Å; E154-K158 WeakPolarHBondContact OE2-CE 3.47Å; E154-K158 IonicContact OE2-NZ 2.82Å; A156-K158 PolarHBondContact O-N 3.12Å; K158-L162 WeakPolarHBondContact O-CB 3.48Å; K158-L162 PolarHBondContact O-N 3.25Å
159	A	98	Very high	97.2	Very high	40 Å²	40	70 Å²	70	33%	0.331	34%	0.343	S	S	.	.	H	α-helix	trans	-66.5	-42.9	175.3	0	0	0	0	0	112.6	A155 A156 K157 L162 A163 T205	A155-A159 WeakPolarHBondContact O-CB 3.42Å; A155-A159 PolarHBondContact O-N 3.43Å; A155-A159 VanDerWaalsContact O-N 3.13Å; A156-A159 PolarHBondContact O-N 2.93Å; K157-A159 PolarHBondContact O-N 2.88Å; A159-L162 PolarHBondContact O-N 3.26Å; A159-A163 PolarHBondContact O-N 2.72Å; A159-T205 HydrophobicContact CB-CG2 4.37Å
160	Y	98.4	Very high	97.1	Very high	57 Å²	57	68.1 Å²	68.1	22%	0.224	34%	0.336	C	S	.	.	H	α-helix	trans	-63.5	-49.5	175.6	170.5	-115.8	0	0	0	111.9	A156 K157 L162 A163 C164 V202 Q206 Y209	A156-Y160 PolarHBondContact O-N 2.91Å; K157-Y160 PolarHBondContact O-N 3.26Å; Y160-L162 VanDerWaalsContact C-N 3.27Å; Y160-L162 PolarHBondContact O-N 3.47Å; Y160-A163 PolarHBondContact O-N 3.26Å; Y160-A163 VanDerWaalsContact O-N 3.1Å; Y160-C164 WeakPolarHBondContact CE2-SG 3.46Å; Y160-C164 PolarHBondContact O-N 2.89Å; Y160-C164 PolarHBondContact O-SG 2.95Å; Y160-C164 VanDerWaalsContact O-SG 3.38Å; Y160-V202 HydrophobicContact CE2-CG1 4.06Å; Y160-Q206 HydrophobicContact CD2-CB 3.82Å; Y160-Q206 HydrophobicContact CE2-CB 3.65Å; Y160-Q206 HydrophobicContact CE2-CG 4.03Å; Y160-Y209 HydrophobicContact CD1-CD1 4.18Å
161	H	97.8	Very high	97	Very high	97 Å²	97	69.4 Å²	69.4	45%	0.449	34%	0.342	S	S	.	.	H	α-helix	trans	-59	-37.2	176.6	-69	-175.8	0	0	0	112.6	K157 K165	K157-H161 WeakPolarHBondContact O-CB 3.45Å; K157-H161 PolarHBondContact O-CD2 2.85Å; K157-H161 VanDerWaalsContact O-CG 3.31Å; K157-H161 PolarHBondContact O-N 3.47Å; H161-K165 WeakPolarHBondContact O-CB 3.21Å; H161-K165 PolarHBondContact O-N 2.94Å; H161-K165 VanDerWaalsContact O-N 3.09Å
162	L	97.7	Very high	96.8	Very high	98 Å²	98	64 Å²	64	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-66.2	-45.1	174.6	-178.9	60.7	0	0	0	111.6	K158 A159 Y160 C164 K165 E166	K158-L162 WeakPolarHBondContact O-CB 3.48Å; K158-L162 PolarHBondContact O-N 3.25Å; A159-L162 PolarHBondContact O-N 3.26Å; Y160-L162 VanDerWaalsContact C-N 3.27Å; Y160-L162 PolarHBondContact O-N 3.47Å; L162-C164 PolarHBondContact O-N 3.12Å; L162-K165 WeakPolarHBondContact O-CB 3.32Å; L162-K165 PolarHBondContact O-N 3.32Å; L162-K165 VanDerWaalsContact O-N 3.15Å; L162-E166 HydrophobicContact CD1-CG 4.41Å; L162-E166 PolarHBondContact O-N 3.16Å
163	A	97.7	Very high	96.5	Very high	11 Å²	11	68 Å²	68	9%	0.091	34%	0.336	C	S	.	.	H	α-helix	trans	-59.1	-44.9	176.9	0	0	0	0	0	111.6	A159 Y160 K165 E166 E167 V202 T205	A159-A163 PolarHBondContact O-N 2.72Å; Y160-A163 PolarHBondContact O-N 3.26Å; Y160-A163 VanDerWaalsContact O-N 3.1Å; A163-K165 VanDerWaalsContact C-N 3.31Å; A163-K165 PolarHBondContact O-N 3.49Å; A163-E166 PolarHBondContact O-N 2.83Å; A163-E167 WeakPolarHBondContact O-CB 3.34Å; A163-E167 PolarHBondContact O-N 3.48Å; A163-V202 HydrophobicContact CB-CB 4.47Å; A163-V202 HydrophobicContact CB-CG2 3.71Å; A163-V202 WeakPolarHBondContact O-CG2 3.31Å; A163-T205 HydrophobicContact CB-CG2 4.4Å; A163-T205 WeakPolarHBondContact CB-OG1 3.4Å
164	C	97.6	Very high	96.2	Very high	37 Å²	37	68.2 Å²	68.2	25%	0.25	34%	0.337	C	S	.	.	H	α-helix	trans	-62.2	-37.2	175.9	-64.4	0	0	0	0	112.5	Y160 L162 K168	Y160-C164 WeakPolarHBondContact CE2-SG 3.46Å; Y160-C164 PolarHBondContact O-N 2.89Å; Y160-C164 PolarHBondContact O-SG 2.95Å; Y160-C164 VanDerWaalsContact O-SG 3.38Å; L162-C164 PolarHBondContact O-N 3.12Å; C164-K168 WeakPolarHBondContact O-CB 3.24Å; C164-K168 PolarHBondContact O-N 2.86Å
165	K	97.5	Very high	95.8	Very high	145 Å²	145	72.3 Å²	72.3	63%	0.63	36%	0.357	S	S	*	.	H	α-helix	trans	-66.4	-41.9	174.8	-171.8	174.8	-177.7	173.5	0	111.4	H161 L162 A163 L169	H161-K165 WeakPolarHBondContact O-CB 3.21Å; H161-K165 PolarHBondContact O-N 2.94Å; H161-K165 VanDerWaalsContact O-N 3.09Å; L162-K165 WeakPolarHBondContact O-CB 3.32Å; L162-K165 PolarHBondContact O-N 3.32Å; L162-K165 VanDerWaalsContact O-N 3.15Å; A163-K165 VanDerWaalsContact C-N 3.31Å; A163-K165 PolarHBondContact O-N 3.49Å; K165-L169 HydrophobicContact CG-CD1 4.32Å; K165-L169 WeakPolarHBondContact O-CB 3.37Å; K165-L169 VanDerWaalsContact O-CG 3.25Å; K165-L169 WeakPolarHBondContact O-CG 3.31Å; K165-L169 PolarHBondContact O-N 3.45Å
166	E	96.6	Very high	95.4	Very high	103 Å²	103	73.3 Å²	73.3	48%	0.481	35%	0.354	S	S	.	.	H	α-helix	trans	-67.8	-40.2	176.8	-71.5	-167.8	170	0	0	112.8	L162 A163 L169 A170	L162-E166 HydrophobicContact CD1-CG 4.41Å; L162-E166 PolarHBondContact O-N 3.16Å; A163-E166 PolarHBondContact O-N 2.83Å; E166-L169 PolarHBondContact O-N 2.96Å; E166-A170 WeakPolarHBondContact O-CB 3.41Å; E166-A170 PolarHBondContact O-N 3.21Å
167	E	96.5	Very high	94.8	Very high	39 Å²	39	73.6 Å²	73.6	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-58.6	-52	172.8	-175.3	-165.8	-164.9	0	0	111	A163 L169 A170 M171 C198 K199 V202	A163-E167 WeakPolarHBondContact O-CB 3.34Å; A163-E167 PolarHBondContact O-N 3.48Å; E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 2.88Å; E167-A170 WeakPolarHBondContact O-CB 3.37Å; E167-A170 PolarHBondContact O-N 3.29Å; E167-M171 HydrophobicContact CG-CE 3.79Å; E167-M171 HydrophobicContact CG-CG 4.5Å; E167-M171 HydrophobicContact CG-SD 4.29Å; E167-M171 WeakPolarHBondContact O-CG 3.47Å; E167-M171 PolarHBondContact O-N 2.94Å; E167-M171 WeakPolarHBondContact OE1-CE 3.42Å; E167-C198 HydrophobicContact CB-CB 3.96Å; E167-C198 HydrophobicContact CG-CB 4.28Å; E167-K199 HydrophobicContact CG-CG 4.43Å; E167-K199 WeakPolarHBondContact OE1-CG 3.44Å; E167-V202 HydrophobicContact CB-CG2 3.9Å
168	K	96.1	Very high	94	Very high	154 Å²	154	77.8 Å²	77.8	67%	0.67	37%	0.374	S	S	*	.	H	α-helix	trans	-57.6	-42.4	177.9	-170.5	173.8	-177.9	177.9	0	111.6	C164 M171 T172	C164-K168 WeakPolarHBondContact O-CB 3.24Å; C164-K168 PolarHBondContact O-N 2.86Å; K168-M171 PolarHBondContact O-N 3.39Å; K168-T172 PolarHBondContact O-N 3.35Å; K168-T172 PolarHBondContact O-OG1 3.37Å
169	L	95.3	Very high	93.1	Very high	69 Å²	69	77.6 Å²	77.6	36%	0.361	38%	0.383	S	S	.	.	H	α-helix	trans	-66.6	-35	175.2	-72.6	169.7	0	0	0	113.3	K165 E166 E167 R173	K165-L169 HydrophobicContact CG-CD1 4.32Å; K165-L169 WeakPolarHBondContact O-CB 3.37Å; K165-L169 VanDerWaalsContact O-CG 3.25Å; K165-L169 WeakPolarHBondContact O-CG 3.31Å; K165-L169 PolarHBondContact O-N 3.45Å; E166-L169 PolarHBondContact O-N 2.96Å; E167-L169 VanDerWaalsContact C-N 3.29Å; E167-L169 PolarHBondContact O-N 2.88Å; L169-R173 WeakPolarHBondContact O-CB 3.46Å; L169-R173 VanDerWaalsContact O-CG 3.3Å; L169-R173 WeakPolarHBondContact O-CG 3.24Å; L169-R173 PolarHBondContact O-N 3.28Å
170	A	94.1	Very high	92	Very high	5 Å²	5	81.2 Å²	81.2	4%	0.041	39%	0.393	C	S	.	.	H	α-helix	trans	-68.7	-46.1	174.9	0	0	0	0	0	111.1	E166 E167 R173 E174 K194 V195 C198	E166-A170 WeakPolarHBondContact O-CB 3.41Å; E166-A170 PolarHBondContact O-N 3.21Å; E167-A170 WeakPolarHBondContact O-CB 3.37Å; E167-A170 PolarHBondContact O-N 3.29Å; A170-R173 PolarHBondContact O-N 3.26Å; A170-E174 WeakPolarHBondContact O-CB 3.44Å; A170-E174 PolarHBondContact O-N 3.47Å; A170-K194 HydrophobicContact CB-CG 4.47Å; A170-V195 HydrophobicContact CB-CG2 3.93Å; A170-C198 HydrophobicContact CB-CB 4.49Å
171	M	93.4	Very high	90.5	Very high	75 Å²	75	88.4 Å²	88.4	37%	0.369	43%	0.429	S	S	.	.	H	α-helix	trans	-59.7	-46.3	176.1	-72.1	-179.1	174	0	0	111.9	E167 K168 R173 E174 M175 V195 K199	E167-M171 HydrophobicContact CG-CE 3.79Å; E167-M171 HydrophobicContact CG-CG 4.5Å; E167-M171 HydrophobicContact CG-SD 4.29Å; E167-M171 WeakPolarHBondContact O-CG 3.47Å; E167-M171 PolarHBondContact O-N 2.94Å; E167-M171 WeakPolarHBondContact OE1-CE 3.42Å; K168-M171 PolarHBondContact O-N 3.39Å; M171-R173 VanDerWaalsContact C-N 3.31Å; M171-R173 PolarHBondContact O-N 3.2Å; M171-E174 PolarHBondContact O-N 3.2Å; M171-M175 WeakPolarHBondContact O-CB 3.42Å; M171-M175 PolarHBondContact O-N 3.06Å; M171-V195 HydrophobicContact CE-CG1 4.35Å; M171-V195 HydrophobicContact CG-CG1 3.93Å; M171-V195 HydrophobicContact CG-CG2 4.37Å; M171-K199 HydrophobicContact CE-CG 4.44Å
172	T	93.8	Very high	89.4	Confident	55 Å²	55	88.4 Å²	88.4	34%	0.337	44%	0.44	S	S	.	.	H	α-helix	trans	-61.8	-38.7	176.9	-56.9	0	0	0	0	111.9	K168 N176	K168-T172 PolarHBondContact O-N 3.35Å; K168-T172 PolarHBondContact O-OG1 3.37Å; T172-N176 WeakPolarHBondContact O-CB 3.41Å; T172-N176 PolarHBondContact O-N 3.29Å; T172-N176 PolarHBondContact O-OD1 2.9Å
173	R	90.6	Very high	88.3	Confident	149 Å²	149	85.5 Å²	85.5	56%	0.562	43%	0.426	S	S	*	.	H	α-helix	trans	-67.9	-40.5	176.6	-76.7	171	170.6	156.1	-4.7	112.8	L169 A170 M171 S177	L169-R173 WeakPolarHBondContact O-CB 3.46Å; L169-R173 VanDerWaalsContact O-CG 3.3Å; L169-R173 WeakPolarHBondContact O-CG 3.24Å; L169-R173 PolarHBondContact O-N 3.28Å; A170-R173 PolarHBondContact O-N 3.26Å; M171-R173 VanDerWaalsContact C-N 3.31Å; M171-R173 PolarHBondContact O-N 3.2Å; R173-S177 PolarHBondContact O-N 3.38Å; R173-S177 VanDerWaalsContact O-N 3.08Å
174	E	91.3	Very high	87.7	Confident	17 Å²	17	88 Å²	88	8%	0.079	44%	0.441	C	S	.	.	H	α-helix	trans	-66.6	-40.8	176.1	-164.4	-73.1	147	0	0	111.4	A170 M171 S177 K178 Q188 L191 V195	A170-E174 WeakPolarHBondContact O-CB 3.44Å; A170-E174 PolarHBondContact O-N 3.47Å; M171-E174 PolarHBondContact O-N 3.2Å; E174-S177 PolarHBondContact O-N 2.8Å; E174-S177 PolarHBondContact O-OG 3.14Å; E174-K178 PolarHBondContact O-N 3.07Å; E174-K178 WeakPolarHBondContact OE1-CE 3.48Å; E174-K178 IonicContact OE1-NZ 2.77Å; E174-K178 PolarHBondContact OE1-NZ 3.38Å; E174-K178 IonicContact OE2-NZ 2.67Å; E174-K178 PolarHBondContact OE2-NZ 3.4Å; E174-Q188 PolarHBondContact OE1-NE2 3.38Å; E174-L191 HydrophobicContact CB-CB 4.23Å; E174-L191 HydrophobicContact CG-CB 4Å; E174-V195 HydrophobicContact CB-CG2 3.82Å; E174-V195 HydrophobicContact CG-CG2 4.17Å
175	M	88.6	Confident	87	Confident	135 Å²	135	91.8 Å²	91.8	67%	0.665	46%	0.464	S	S	*	.	H	α-helix	trans	-64.8	-45	175.5	-174.1	174.5	-178	0	0	112.1	M171 S177 K178	M171-M175 WeakPolarHBondContact O-CB 3.42Å; M171-M175 PolarHBondContact O-N 3.06Å; M175-S177 VanDerWaalsContact C-N 3.32Å; M175-S177 PolarHBondContact O-N 3.19Å; M175-K178 WeakPolarHBondContact O-CB 3.44Å; M175-K178 PolarHBondContact O-N 3.05Å
176	N	88.7	Confident	86.5	Confident	84 Å²	84	92.8 Å²	92.8	45%	0.449	47%	0.471	S	S	.	.	H	α-helix	trans	-66.5	-33.7	179.1	-69	-3	0	0	0	112	T172 K178 T179	T172-N176 WeakPolarHBondContact O-CB 3.41Å; T172-N176 PolarHBondContact O-N 3.29Å; T172-N176 PolarHBondContact O-OD1 2.9Å; N176-K178 VanDerWaalsContact C-N 3.25Å; N176-K178 PolarHBondContact O-N 3Å; N176-T179 PolarHBondContact O-N 3.32Å; N176-T179 VanDerWaalsContact O-N 3.11Å; N176-T179 PolarHBondContact O-OG1 2.7Å
177	S	84.7	Confident	85.9	Confident	8 Å²	8	92.5 Å²	92.5	6%	0.056	47%	0.47	C	S	.	.	H	α-helix	trans	-64.7	-28.9	178.3	85.2	0	0	0	0	112.9	R173 E174 M175 T179 E180 Q188 L191	R173-S177 PolarHBondContact O-N 3.38Å; R173-S177 VanDerWaalsContact O-N 3.08Å; E174-S177 PolarHBondContact O-N 2.8Å; E174-S177 PolarHBondContact O-OG 3.14Å; M175-S177 VanDerWaalsContact C-N 3.32Å; M175-S177 PolarHBondContact O-N 3.19Å; S177-T179 PolarHBondContact O-N 3.04Å; S177-E180 PolarHBondContact O-N 3.42Å; S177-Q188 PolarHBondContact OG-NE2 2.87Å; S177-Q188 PolarHBondContact OG-OE1 2.76Å; S177-L191 VanDerWaalsContact CB-CD1 3.43Å; S177-L191 WeakPolarHBondContact OG-CD1 3.37Å
178	K	80.7	Confident	85.4	Confident	133 Å²	133	92.7 Å²	92.7	58%	0.578	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-19	175.2	-70.2	170.9	167.8	143.8	0	113.7	E174 M175 N176	E174-K178 PolarHBondContact O-N 3.07Å; E174-K178 WeakPolarHBondContact OE1-CE 3.48Å; E174-K178 IonicContact OE1-NZ 2.77Å; E174-K178 PolarHBondContact OE1-NZ 3.38Å; E174-K178 IonicContact OE2-NZ 2.67Å; E174-K178 PolarHBondContact OE2-NZ 3.4Å; M175-K178 WeakPolarHBondContact O-CB 3.44Å; M175-K178 PolarHBondContact O-N 3.05Å; N176-K178 VanDerWaalsContact C-N 3.25Å; N176-K178 PolarHBondContact O-N 3Å
179	T	79.1	Confident	85.1	Confident	118 Å²	118	91.9 Å²	91.9	72%	0.724	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-7.1	177.1	42.2	0	0	0	0	114	N176 S177	N176-T179 PolarHBondContact O-N 3.32Å; N176-T179 VanDerWaalsContact O-N 3.11Å; N176-T179 PolarHBondContact O-OG1 2.7Å; S177-T179 PolarHBondContact O-N 3.04Å
180	E	76.1	Confident	84.9	Confident	116 Å²	116	96.1 Å²	96.1	54%	0.542	48%	0.483	S	S	.	.			trans	-95.2	121.4	179.5	-72.6	-178.7	176.4	0	0	111.7	S177 S182 V183	S177-E180 PolarHBondContact O-N 3.42Å; E180-S182 PolarHBondContact O-N 3Å; E180-V183 HydrophobicContact CB-CG2 3.78Å
181	Q	67.3	Low	84.8	Confident	209 Å²	209	98.1 Å²	98.1	98%	0.977	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-3.1	-177.5	-65.4	-178.4	-3	0	0	114.7
182	S	74.3	Confident	84.7	Confident	97 Å²	97	97.7 Å²	97.7	68%	0.678	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-0.2	-174.7	52	0	0	0	0	115.2	E180	E180-S182 PolarHBondContact O-N 3Å
183	V	75.3	Confident	84.7	Confident	37 Å²	37	99.4 Å²	99.4	22%	0.224	50%	0.497	C	S	.	.			trans	-84.9	127.8	-174.6	-178.6	0	0	0	0	110.6	E180 Q187 Q188	E180-V183 HydrophobicContact CB-CG2 3.78Å; V183-Q187 HydrophobicContact CG1-CB 3.83Å; V183-Q188 HydrophobicContact CG1-CB 4.43Å
184	T	84.9	Confident	84.9	Confident	64 Å²	64	97.4 Å²	97.4	39%	0.393	49%	0.492	S	S	.	.			trans	-79.6	155.3	179.4	74.9	0	0	0	0	111.8	E186 Q187 Q188	T184-E186 PolarHBondContact O-N 2.87Å; T184-E186 VanDerWaalsContact O-N 3.11Å; T184-Q187 WeakPolarHBondContact O-CB 3.49Å; T184-Q187 PolarHBondContact O-N 3.15Å; T184-Q187 WeakPolarHBondContact OG1-CG 3.29Å; T184-Q187 PolarHBondContact OG1-N 3.46Å; T184-Q188 PolarHBondContact O-N 3.28Å
185	P	82.8	Confident	85.1	Confident	115 Å²	115	96.9 Å²	96.9	75%	0.747	49%	0.49	S	S	*	.	H	α-helix	trans	-55.5	-31.5	176.4	-27.2	35.6	0	0	0	113.8	K189	P185-K189 WeakPolarHBondContact O-CB 3.4Å; P185-K189 PolarHBondContact O-N 3.4Å
186	E	85.5	Confident	85.4	Confident	166 Å²	166	93 Å²	93	78%	0.776	47%	0.472	S	S	*	.	H	α-helix	trans	-76.6	-34	178.4	-166.1	163	-161.5	0	0	112.4	T184 K190	T184-E186 PolarHBondContact O-N 2.87Å; T184-E186 VanDerWaalsContact O-N 3.11Å; E186-K190 WeakPolarHBondContact O-CB 3.46Å; E186-K190 PolarHBondContact O-N 3.32Å
187	Q	85.1	Confident	85.8	Confident	98 Å²	98	95.1 Å²	95.1	46%	0.458	48%	0.477	S	S	.	.	H	α-helix	trans	-67.6	-42.5	169	-71.2	167.4	-13.3	0	0	111.5	V183 T184 K190 L191	V183-Q187 HydrophobicContact CG1-CB 3.83Å; T184-Q187 WeakPolarHBondContact O-CB 3.49Å; T184-Q187 PolarHBondContact O-N 3.15Å; T184-Q187 WeakPolarHBondContact OG1-CG 3.29Å; T184-Q187 PolarHBondContact OG1-N 3.46Å; Q187-K190 PolarHBondContact O-N 2.91Å; Q187-L191 WeakPolarHBondContact O-CG 3.22Å; Q187-L191 PolarHBondContact O-N 2.82Å
188	Q	85.6	Confident	86.4	Confident	43 Å²	43	95.2 Å²	95.2	20%	0.201	48%	0.478	C	S	.	.	H	α-helix	trans	-59.2	-47.6	175.3	-165.8	70.1	41	0	0	110.9	E174 S177 V183 T184 K190 L191 Q192	E174-Q188 PolarHBondContact OE1-NE2 3.38Å; S177-Q188 PolarHBondContact OG-NE2 2.87Å; S177-Q188 PolarHBondContact OG-OE1 2.76Å; V183-Q188 HydrophobicContact CG1-CB 4.43Å; T184-Q188 PolarHBondContact O-N 3.28Å; Q188-K190 PolarHBondContact O-N 3.13Å; Q188-L191 PolarHBondContact O-N 3.13Å; Q188-Q192 PolarHBondContact O-N 3.39Å
189	K	89.6	Confident	87.1	Confident	136 Å²	136	92.9 Å²	92.9	59%	0.591	47%	0.468	S	S	*	.	H	α-helix	trans	-58.5	-44.9	175.3	-174	179.4	177.1	-176.7	0	112	P185 L191 Q192 D193	P185-K189 WeakPolarHBondContact O-CB 3.4Å; P185-K189 PolarHBondContact O-N 3.4Å; K189-L191 VanDerWaalsContact C-N 3.27Å; K189-L191 PolarHBondContact O-N 3.43Å; K189-Q192 WeakPolarHBondContact O-CB 3.29Å; K189-Q192 PolarHBondContact O-N 2.88Å; K189-Q192 VanDerWaalsContact O-N 3.13Å; K189-D193 VanDerWaalsContact O-CG 3.24Å; K189-D193 PolarHBondContact O-N 2.84Å
190	K	92.1	Very high	88	Confident	158 Å²	158	93.7 Å²	93.7	69%	0.687	46%	0.463	S	S	*	.	H	α-helix	trans	-63.1	-30.4	178.2	-172.8	175.6	-177.3	175.7	0	113.5	E186 Q187 Q188 K194	E186-K190 WeakPolarHBondContact O-CB 3.46Å; E186-K190 PolarHBondContact O-N 3.32Å; Q187-K190 PolarHBondContact O-N 2.91Å; Q188-K190 PolarHBondContact O-N 3.13Å; K190-K194 WeakPolarHBondContact O-CB 3.34Å; K190-K194 PolarHBondContact O-N 3.48Å
191	L	91.1	Very high	89	Confident	48 Å²	48	91 Å²	91	25%	0.251	45%	0.453	S	S	.	.	H	α-helix	trans	-73.3	-41.5	172.6	-70.6	170.2	0	0	0	111.4	E174 S177 Q187 Q188 K189 K194 V195	E174-L191 HydrophobicContact CB-CB 4.23Å; E174-L191 HydrophobicContact CG-CB 4Å; S177-L191 VanDerWaalsContact CB-CD1 3.43Å; S177-L191 WeakPolarHBondContact OG-CD1 3.37Å; Q187-L191 WeakPolarHBondContact O-CG 3.22Å; Q187-L191 PolarHBondContact O-N 2.82Å; Q188-L191 PolarHBondContact O-N 3.13Å; K189-L191 VanDerWaalsContact C-N 3.27Å; K189-L191 PolarHBondContact O-N 3.43Å; L191-K194 WeakPolarHBondContact O-CB 3.32Å; L191-K194 PolarHBondContact O-N 3.47Å; L191-V195 PolarHBondContact O-N 3.39Å
192	Q	91.6	Very high	90.5	Very high	66 Å²	66	81.8 Å²	81.8	31%	0.308	41%	0.41	S	S	.	.	H	α-helix	trans	-61.6	-49.8	173.8	-175.9	59.5	53.7	0	0	111.9	Q188 K189 K194 V195 D196	Q188-Q192 PolarHBondContact O-N 3.39Å; K189-Q192 WeakPolarHBondContact O-CB 3.29Å; K189-Q192 PolarHBondContact O-N 2.88Å; K189-Q192 VanDerWaalsContact O-N 3.13Å; Q192-K194 PolarHBondContact O-N 3.14Å; Q192-K194 VanDerWaalsContact O-N 3.15Å; Q192-V195 WeakPolarHBondContact O-CB 3.42Å; Q192-V195 PolarHBondContact O-N 3Å; Q192-D196 VanDerWaalsContact NE2-CG 3.31Å; Q192-D196 PolarHBondContact NE2-OD1 3.27Å; Q192-D196 PolarHBondContact NE2-OD2 3.25Å; Q192-D196 PolarHBondContact O-N 2.97Å
193	D	94.2	Very high	91.6	Very high	90 Å²	90	82.5 Å²	82.5	48%	0.481	40%	0.403	S	S	.	.	H	α-helix	trans	-55.6	-34.3	175.7	-66.3	-23.4	0	0	0	111.4	K189 K197	K189-D193 VanDerWaalsContact O-CG 3.24Å; K189-D193 PolarHBondContact O-N 2.84Å; D193-K197 WeakPolarHBondContact O-CB 3.43Å; D193-K197 PolarHBondContact O-N 2.9Å
194	K	94.6	Very high	92.7	Very high	108 Å²	108	87.7 Å²	87.7	47%	0.47	42%	0.422	S	S	.	.	H	α-helix	trans	-72.5	-40.4	175.9	-176	170.3	-178.8	168.7	0	112.7	A170 K190 L191 Q192 K197 C198	A170-K194 HydrophobicContact CB-CG 4.47Å; K190-K194 WeakPolarHBondContact O-CB 3.34Å; K190-K194 PolarHBondContact O-N 3.48Å; L191-K194 WeakPolarHBondContact O-CB 3.32Å; L191-K194 PolarHBondContact O-N 3.47Å; Q192-K194 PolarHBondContact O-N 3.14Å; Q192-K194 VanDerWaalsContact O-N 3.15Å; K194-K197 PolarHBondContact O-N 3.36Å; K194-C198 PolarHBondContact O-N 3.03Å; K194-C198 PolarHBondContact O-SG 2.8Å; K194-C198 VanDerWaalsContact O-SG 3.34Å
195	V	95	Very high	93.3	Very high	5 Å²	5	86 Å²	86	3%	0.03	41%	0.412	C	S	.	.	H	α-helix	trans	-60.8	-46.6	173.5	168.6	0	0	0	0	110.4	A170 M171 E174 L191 Q192 K197 C198 K199	A170-V195 HydrophobicContact CB-CG2 3.93Å; M171-V195 HydrophobicContact CE-CG1 4.35Å; M171-V195 HydrophobicContact CG-CG1 3.93Å; M171-V195 HydrophobicContact CG-CG2 4.37Å; E174-V195 HydrophobicContact CB-CG2 3.82Å; E174-V195 HydrophobicContact CG-CG2 4.17Å; L191-V195 PolarHBondContact O-N 3.39Å; Q192-V195 WeakPolarHBondContact O-CB 3.42Å; Q192-V195 PolarHBondContact O-N 3Å; V195-K197 VanDerWaalsContact C-N 3.33Å; V195-K197 PolarHBondContact O-N 3.4Å; V195-C198 PolarHBondContact O-N 3.42Å; V195-C198 VanDerWaalsContact O-N 3.17Å; V195-K199 HydrophobicContact CG1-CD 4.49Å; V195-K199 PolarHBondContact O-N 2.9Å
196	D	95.6	Very high	94	Very high	55 Å²	55	83.8 Å²	83.8	29%	0.294	39%	0.392	S	S	.	.	H	α-helix	trans	-71	-29.8	-177.5	-64	-34.9	0	0	0	112.5	Q192 K199 Q200	Q192-D196 VanDerWaalsContact NE2-CG 3.31Å; Q192-D196 PolarHBondContact NE2-OD1 3.27Å; Q192-D196 PolarHBondContact NE2-OD2 3.25Å; Q192-D196 PolarHBondContact O-N 2.97Å; D196-K199 IonicContact OD1-NZ 2.71Å; D196-K199 PolarHBondContact OD1-NZ 2.92Å; D196-Q200 WeakPolarHBondContact O-CG 3.39Å; D196-Q200 PolarHBondContact O-N 3.37Å
197	K	96.6	Very high	94.6	Very high	127 Å²	127	80.9 Å²	80.9	55%	0.552	38%	0.378	S	S	*	.	H	α-helix	trans	-63.4	-48.8	166	-174.3	-178.9	175.4	-175.2	0	112.1	D193 K194 V195 K199 Q200 D201	D193-K197 WeakPolarHBondContact O-CB 3.43Å; D193-K197 PolarHBondContact O-N 2.9Å; K194-K197 PolarHBondContact O-N 3.36Å; V195-K197 VanDerWaalsContact C-N 3.33Å; V195-K197 PolarHBondContact O-N 3.4Å; K197-K199 VanDerWaalsContact C-N 3.28Å; K197-K199 PolarHBondContact O-N 3.5Å; K197-Q200 WeakPolarHBondContact O-CB 3.48Å; K197-Q200 PolarHBondContact O-N 3.15Å; K197-Q200 VanDerWaalsContact O-N 3.09Å; K197-D201 WeakPolarHBondContact CE-OD2 3.41Å; K197-D201 PolarHBondContact O-N 2.91Å
198	C	96.7	Very high	95.2	Very high	10 Å²	10	82.4 Å²	82.4	7%	0.068	38%	0.383	C	S	.	.	H	α-helix	trans	-60.4	-37	179.5	-70.8	0	0	0	0	112.2	E167 A170 K194 V195 D201 V202	E167-C198 HydrophobicContact CB-CB 3.96Å; E167-C198 HydrophobicContact CG-CB 4.28Å; A170-C198 HydrophobicContact CB-CB 4.49Å; K194-C198 PolarHBondContact O-N 3.03Å; K194-C198 PolarHBondContact O-SG 2.8Å; K194-C198 VanDerWaalsContact O-SG 3.34Å; V195-C198 PolarHBondContact O-N 3.42Å; V195-C198 VanDerWaalsContact O-N 3.17Å; C198-D201 PolarHBondContact O-N 3.43Å; C198-V202 WeakPolarHBondContact O-CG2 3.28Å; C198-V202 PolarHBondContact O-N 2.89Å
199	K	96.5	Very high	95.8	Very high	85 Å²	85	82.9 Å²	82.9	37%	0.37	38%	0.384	S	S	.	.	H	α-helix	trans	-58.2	-45.7	171.4	-73.8	171.6	-171.1	161.2	0	112.8	E167 M171 V195 D196 K197 D201 V202 Q203	E167-K199 HydrophobicContact CG-CG 4.43Å; E167-K199 WeakPolarHBondContact OE1-CG 3.44Å; M171-K199 HydrophobicContact CE-CG 4.44Å; V195-K199 HydrophobicContact CG1-CD 4.49Å; V195-K199 PolarHBondContact O-N 2.9Å; D196-K199 IonicContact OD1-NZ 2.71Å; D196-K199 PolarHBondContact OD1-NZ 2.92Å; K197-K199 VanDerWaalsContact C-N 3.28Å; K197-K199 PolarHBondContact O-N 3.5Å; K199-D201 VanDerWaalsContact C-N 3.34Å; K199-V202 PolarHBondContact O-N 2.81Å; K199-Q203 PolarHBondContact O-N 3.32Å
200	Q	97.1	Very high	96.3	Very high	135 Å²	135	81.1 Å²	81.1	63%	0.631	38%	0.378	S	S	*	.	H	α-helix	trans	-64.6	-39.6	177	-69.4	176.6	12.9	0	0	111.7	D196 K197 Q203 K204	D196-Q200 WeakPolarHBondContact O-CG 3.39Å; D196-Q200 PolarHBondContact O-N 3.37Å; K197-Q200 WeakPolarHBondContact O-CB 3.48Å; K197-Q200 PolarHBondContact O-N 3.15Å; K197-Q200 VanDerWaalsContact O-N 3.09Å; Q200-Q203 PolarHBondContact O-N 3.07Å; Q200-K204 VanDerWaalsContact O-CB 3.22Å; Q200-K204 WeakPolarHBondContact O-CB 3.38Å; Q200-K204 PolarHBondContact O-N 3.37Å
201	D	97.3	Very high	96.5	Very high	60 Å²	60	80 Å²	80	32%	0.321	37%	0.373	S	S	.	.	H	α-helix	trans	-67.2	-35.7	176.2	-73.3	-36.3	0	0	0	111.8	K197 C198 K199 T205	K197-D201 WeakPolarHBondContact CE-OD2 3.41Å; K197-D201 PolarHBondContact O-N 2.91Å; C198-D201 PolarHBondContact O-N 3.43Å; K199-D201 VanDerWaalsContact C-N 3.34Å; D201-T205 WeakPolarHBondContact O-CB 3.39Å; D201-T205 WeakPolarHBondContact O-CG2 3.44Å; D201-T205 PolarHBondContact O-N 2.71Å; D201-T205 PolarHBondContact O-OG1 3Å
202	V	98.3	Very high	96.8	Very high	14 Å²	14	78.5 Å²	78.5	9%	0.085	37%	0.366	C	S	.	.	H	α-helix	trans	-63	-53.9	170.9	167.8	0	0	0	0	111.2	Y160 A163 E167 C198 K199 K204 T205 Q206	Y160-V202 HydrophobicContact CE2-CG1 4.06Å; A163-V202 HydrophobicContact CB-CB 4.47Å; A163-V202 HydrophobicContact CB-CG2 3.71Å; A163-V202 WeakPolarHBondContact O-CG2 3.31Å; E167-V202 HydrophobicContact CB-CG2 3.9Å; C198-V202 WeakPolarHBondContact O-CG2 3.28Å; C198-V202 PolarHBondContact O-N 2.89Å; K199-V202 PolarHBondContact O-N 2.81Å; V202-K204 VanDerWaalsContact C-N 3.32Å; V202-K204 PolarHBondContact O-N 3.37Å; V202-T205 PolarHBondContact O-N 2.64Å; V202-T205 VanDerWaalsContact O-N 3.16Å; V202-T205 PolarHBondContact O-OG1 3.47Å; V202-Q206 WeakPolarHBondContact O-CB 3.36Å; V202-Q206 PolarHBondContact O-N 3.44Å
203	Q	97.9	Very high	97.1	Very high	113 Å²	113	79.4 Å²	79.4	53%	0.528	37%	0.372	S	S	.	.	H	α-helix	trans	-56.8	-46.8	179.4	-177.9	-176.8	-14	0	0	111.3	K199 Q200 T205 Q206 E207	K199-Q203 PolarHBondContact O-N 3.32Å; Q200-Q203 PolarHBondContact O-N 3.07Å; Q203-T205 VanDerWaalsContact C-N 3.33Å; Q203-T205 PolarHBondContact O-N 3.27Å; Q203-Q206 WeakPolarHBondContact O-CB 3.44Å; Q203-Q206 PolarHBondContact O-N 3.22Å; Q203-E207 HydrophobicContact CG-CG 4.48Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.31Å; Q203-E207 PolarHBondContact NE2-OE1 3.46Å; Q203-E207 WeakPolarHBondContact O-CG 2.86Å; Q203-E207 PolarHBondContact O-N 3.15Å
204	K	98.1	Very high	97.2	Very high	145 Å²	145	80.5 Å²	80.5	63%	0.63	37%	0.374	S	S	*	.	H	α-helix	trans	-64.5	-34.2	179.8	-178.6	179.3	177.2	-177.9	0	113.4	Q200 V202 K208	Q200-K204 VanDerWaalsContact O-CB 3.22Å; Q200-K204 WeakPolarHBondContact O-CB 3.38Å; Q200-K204 PolarHBondContact O-N 3.37Å; V202-K204 VanDerWaalsContact C-N 3.32Å; V202-K204 PolarHBondContact O-N 3.37Å; K204-K208 WeakPolarHBondContact O-CB 3.31Å; K204-K208 PolarHBondContact O-N 2.87Å
205	T	98.1	Very high	97.3	Very high	28 Å²	28	77.6 Å²	77.6	17%	0.172	36%	0.364	C	S	.	.	H	α-helix	trans	-78.4	-32.5	176	49.2	0	0	0	0	112	A159 A163 D201 V202 Q203 K208 Y209	A159-T205 HydrophobicContact CB-CG2 4.37Å; A163-T205 HydrophobicContact CB-CG2 4.4Å; A163-T205 WeakPolarHBondContact CB-OG1 3.4Å; D201-T205 WeakPolarHBondContact O-CB 3.39Å; D201-T205 WeakPolarHBondContact O-CG2 3.44Å; D201-T205 PolarHBondContact O-N 2.71Å; D201-T205 PolarHBondContact O-OG1 3Å; V202-T205 PolarHBondContact O-N 2.64Å; V202-T205 VanDerWaalsContact O-N 3.16Å; V202-T205 PolarHBondContact O-OG1 3.47Å; Q203-T205 VanDerWaalsContact C-N 3.33Å; Q203-T205 PolarHBondContact O-N 3.27Å; T205-K208 PolarHBondContact O-N 2.99Å; T205-Y209 WeakPolarHBondContact O-CB 3.42Å; T205-Y209 PolarHBondContact O-N 3.08Å
206	Q	98.3	Very high	97.3	Very high	69 Å²	69	77.9 Å²	77.9	32%	0.322	37%	0.365	S	S	.	.	H	α-helix	trans	-62	-56.1	171	-173.5	-177.3	-15.8	0	0	111.5	Y160 V202 Q203 K208 Y209 E210	Y160-Q206 HydrophobicContact CD2-CB 3.82Å; Y160-Q206 HydrophobicContact CE2-CB 3.65Å; Y160-Q206 HydrophobicContact CE2-CG 4.03Å; V202-Q206 WeakPolarHBondContact O-CB 3.36Å; V202-Q206 PolarHBondContact O-N 3.44Å; Q203-Q206 WeakPolarHBondContact O-CB 3.44Å; Q203-Q206 PolarHBondContact O-N 3.22Å; Q206-K208 PolarHBondContact O-N 3.29Å; Q206-K208 VanDerWaalsContact O-N 3.17Å; Q206-Y209 WeakPolarHBondContact O-CA 3.3Å; Q206-Y209 WeakPolarHBondContact O-CB 3.42Å; Q206-Y209 PolarHBondContact O-N 3.37Å; Q206-E210 HydrophobicContact CG-CG 4.35Å; Q206-E210 WeakPolarHBondContact CG-OE1 3.31Å; Q206-E210 PolarHBondContact NE2-OE1 3.05Å; Q206-E210 WeakPolarHBondContact O-CG 3.49Å; Q206-E210 PolarHBondContact O-N 2.88Å
207	E	98.2	Very high	97.4	Very high	106 Å²	106	77.3 Å²	77.3	50%	0.495	37%	0.373	S	S	.	.	H	α-helix	trans	-54.7	-38.1	178	-72	171.5	-170.1	0	0	111.7	Q203 K211	Q203-E207 HydrophobicContact CG-CG 4.48Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.31Å; Q203-E207 PolarHBondContact NE2-OE1 3.46Å; Q203-E207 WeakPolarHBondContact O-CG 2.86Å; Q203-E207 PolarHBondContact O-N 3.15Å; E207-K211 VanDerWaalsContact O-CB 3.28Å; E207-K211 WeakPolarHBondContact O-CB 3.48Å; E207-K211 PolarHBondContact O-N 3.21Å
208	K	97.7	Very high	97.4	Very high	130 Å²	130	77.1 Å²	77.1	57%	0.565	37%	0.372	S	S	*	.	H	α-helix	trans	-68.2	-42	174.7	-175.4	-176.8	175.6	-171.1	0	112.3	K204 T205 Q206 V212	K204-K208 WeakPolarHBondContact O-CB 3.31Å; K204-K208 PolarHBondContact O-N 2.87Å; T205-K208 PolarHBondContact O-N 2.99Å; Q206-K208 PolarHBondContact O-N 3.29Å; Q206-K208 VanDerWaalsContact O-N 3.17Å; K208-V212 VanDerWaalsContact O-CG2 3.31Å; K208-V212 WeakPolarHBondContact O-CG2 3.4Å; K208-V212 PolarHBondContact O-N 3.4Å; K208-V212 VanDerWaalsContact O-N 3.1Å
209	Y	98.4	Very high	97.3	Very high	53 Å²	53	78.9 Å²	78.9	21%	0.208	38%	0.382	C	S	.	.	H	α-helix	trans	-66.2	-47.7	178.9	174.2	-127.7	0	0	0	111.4	L153 A156 K157 Y160 T205 Q206 K211 V212 L213	L153-Y209 HydrophobicContact CD1-CD2 3.81Å; L153-Y209 HydrophobicContact CD1-CE2 3.47Å; L153-Y209 VanDerWaalsContact CD1-CE2 3.47Å; L153-Y209 HydrophobicContact CG-CE2 4.04Å; A156-Y209 HydrophobicContact CB-CD2 4.06Å; K157-Y209 HydrophobicContact CB-CD2 4.04Å; K157-Y209 HydrophobicContact CB-CE2 3.59Å; K157-Y209 HydrophobicContact CG-CE2 4.27Å; Y160-Y209 HydrophobicContact CD1-CD1 4.18Å; T205-Y209 WeakPolarHBondContact O-CB 3.42Å; T205-Y209 PolarHBondContact O-N 3.08Å; Q206-Y209 WeakPolarHBondContact O-CA 3.3Å; Q206-Y209 WeakPolarHBondContact O-CB 3.42Å; Q206-Y209 PolarHBondContact O-N 3.37Å; Y209-K211 VanDerWaalsContact C-N 3.34Å; Y209-K211 PolarHBondContact O-N 3.2Å; Y209-V212 PolarHBondContact O-N 2.91Å; Y209-V212 VanDerWaalsContact O-N 3.15Å; Y209-L213 WeakPolarHBondContact O-CB 3.2Å; Y209-L213 PolarHBondContact O-N 3.06Å
210	E	98.2	Very high	97.4	Very high	99 Å²	99	76.7 Å²	76.7	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-58	-44.5	175.5	-70.1	173.3	178.5	0	0	111.7	Q206 V212 L213 E214	Q206-E210 HydrophobicContact CG-CG 4.35Å; Q206-E210 WeakPolarHBondContact CG-OE1 3.31Å; Q206-E210 PolarHBondContact NE2-OE1 3.05Å; Q206-E210 WeakPolarHBondContact O-CG 3.49Å; Q206-E210 PolarHBondContact O-N 2.88Å; E210-V212 PolarHBondContact O-N 3.42Å; E210-L213 WeakPolarHBondContact O-CB 3.48Å; E210-L213 PolarHBondContact O-N 3.08Å; E210-E214 PolarHBondContact O-N 3.4Å
211	K	97.7	Very high	97.4	Very high	135 Å²	135	74.2 Å²	74.2	59%	0.587	37%	0.372	S	S	*	.	H	α-helix	trans	-61.1	-41.5	175	-179.4	173.4	-179.2	172.2	0	113.1	E207 Y209 L213 E214 D215	E207-K211 VanDerWaalsContact O-CB 3.28Å; E207-K211 WeakPolarHBondContact O-CB 3.48Å; E207-K211 PolarHBondContact O-N 3.21Å; Y209-K211 VanDerWaalsContact C-N 3.34Å; Y209-K211 PolarHBondContact O-N 3.2Å; K211-L213 VanDerWaalsContact C-N 3.34Å; K211-E214 PolarHBondContact O-N 2.84Å; K211-D215 PolarHBondContact O-N 2.98Å
212	V	97.2	Very high	97.4	Very high	16 Å²	16	76.1 Å²	76.1	10%	0.097	38%	0.379	C	S	.	.	H	α-helix	trans	-71.2	-32.8	178.1	177.6	0	0	0	0	111.1	E152 L153 A156 K208 Y209 E210 D215 V216	E152-V212 HydrophobicContact CB-CG1 3.99Å; L153-V212 HydrophobicContact CB-CG1 3.94Å; L153-V212 HydrophobicContact CD1-CB 4.34Å; L153-V212 HydrophobicContact CD1-CG1 4.03Å; A156-V212 HydrophobicContact CB-CG2 4.5Å; K208-V212 VanDerWaalsContact O-CG2 3.31Å; K208-V212 WeakPolarHBondContact O-CG2 3.4Å; K208-V212 PolarHBondContact O-N 3.4Å; K208-V212 VanDerWaalsContact O-N 3.1Å; Y209-V212 PolarHBondContact O-N 2.91Å; Y209-V212 VanDerWaalsContact O-N 3.15Å; E210-V212 PolarHBondContact O-N 3.42Å; V212-D215 PolarHBondContact O-N 2.88Å; V212-V216 WeakPolarHBondContact O-CG2 3.3Å; V212-V216 PolarHBondContact O-N 3.42Å
213	L	97.4	Very high	97.4	Very high	85 Å²	85	75.8 Å²	75.8	45%	0.445	38%	0.376	S	S	.	.	H	α-helix	trans	-64.7	-42	173	-173.2	66.2	0	0	0	111.6	L153 Y209 E210 K211 V216 G217	L153-L213 HydrophobicContact CD1-CB 3.84Å; L153-L213 HydrophobicContact CD1-CD1 3.97Å; L153-L213 HydrophobicContact CD2-CD1 4Å; Y209-L213 WeakPolarHBondContact O-CB 3.2Å; Y209-L213 PolarHBondContact O-N 3.06Å; E210-L213 WeakPolarHBondContact O-CB 3.48Å; E210-L213 PolarHBondContact O-N 3.08Å; K211-L213 VanDerWaalsContact C-N 3.34Å; L213-V216 PolarHBondContact O-N 3.08Å; L213-G217 PolarHBondContact O-N 3.14Å
214	E	97.3	Very high	97.5	Very high	112 Å²	112	73.8 Å²	73.8	52%	0.523	37%	0.368	S	S	.	.	H	α-helix	trans	-63.2	-44	173.5	-159.1	-153.6	167.6	0	0	111.9	E210 K211 V216 G217 K218	E210-E214 PolarHBondContact O-N 3.4Å; K211-E214 PolarHBondContact O-N 2.84Å; E214-V216 PolarHBondContact O-N 3.38Å; E214-G217 PolarHBondContact O-N 3.06Å; E214-K218 WeakPolarHBondContact O-CG 3.38Å; E214-K218 PolarHBondContact O-N 3.46Å; E214-K218 WeakPolarHBondContact OE1-CE 3.35Å; E214-K218 IonicContact OE1-NZ 3.44Å; E214-K218 PolarHBondContact OE1-NZ 2.91Å; E214-K218 IonicContact OE2-NZ 3.69Å; E214-K218 PolarHBondContact OE2-NZ 2.97Å
215	D	95.1	Very high	97.5	Very high	47 Å²	47	72.6 Å²	72.6	25%	0.251	37%	0.365	S	S	.	.	H	α-helix	trans	-59.2	-42.8	173.5	-89.9	7.5	0	0	0	112.2	K149 K211 V212 K218 T219	K149-D215 HydrophobicContact CD-CB 4.22Å; K149-D215 IonicContact NZ-OD2 3.16Å; K149-D215 PolarHBondContact NZ-OD2 3.44Å; K211-D215 PolarHBondContact O-N 2.98Å; V212-D215 PolarHBondContact O-N 2.88Å; D215-K218 PolarHBondContact O-N 3.22Å; D215-T219 WeakPolarHBondContact O-CG2 3.39Å; D215-T219 PolarHBondContact O-N 3.11Å; D215-T219 PolarHBondContact O-OG1 3.34Å
216	V	96.8	Very high	97.5	Very high	11 Å²	11	73.8 Å²	73.8	7%	0.067	37%	0.37	C	S	.	.	H	α-helix	trans	-59.5	-52.9	174.4	165.6	0	0	0	0	109.4	K149 M150 L153 V212 L213 E214 K218 T219 T220	K149-V216 HydrophobicContact CB-CG2 3.9Å; M150-V216 HydrophobicContact SD-CG1 3.8Å; M150-V216 HydrophobicContact SD-CG2 4.26Å; L153-V216 HydrophobicContact CB-CG2 4.16Å; L153-V216 HydrophobicContact CD2-CG2 4.24Å; V212-V216 WeakPolarHBondContact O-CG2 3.3Å; V212-V216 PolarHBondContact O-N 3.42Å; L213-V216 PolarHBondContact O-N 3.08Å; E214-V216 PolarHBondContact O-N 3.38Å; V216-K218 VanDerWaalsContact C-N 3.26Å; V216-K218 PolarHBondContact O-N 3.12Å; V216-T219 WeakPolarHBondContact O-CA 3.39Å; V216-T219 PolarHBondContact O-N 2.71Å; V216-T219 PolarHBondContact O-OG1 3.48Å; V216-T220 PolarHBondContact O-N 2.95Å; V216-T220 PolarHBondContact O-OG1 3.24Å; V216-T220 VanDerWaalsContact O-OG1 3.1Å
217	G	95.9	Very high	97.6	Very high	44 Å²	44	70.5 Å²	70.5	45%	0.454	35%	0.354	S	S	.	.	H	α-helix	trans	-53.5	-39.2	178.7	0	0	0	0	0	113.8	L213 E214 T219 P221	L213-G217 PolarHBondContact O-N 3.14Å; E214-G217 PolarHBondContact O-N 3.06Å; G217-T219 VanDerWaalsContact C-N 3.32Å; G217-T219 PolarHBondContact O-N 2.71Å; G217-P221 VanDerWaalsContact O-CD 3.29Å; G217-P221 WeakPolarHBondContact O-CD 3.44Å
218	K	96.6	Very high	97.6	Very high	123 Å²	123	70 Å²	70	54%	0.535	35%	0.352	S	S	.	.	H	α-helix	trans	-66.2	-29.5	174.9	-71.7	164.3	-175.5	162.7	0	113.6	E214 D215 V216	E214-K218 WeakPolarHBondContact O-CG 3.38Å; E214-K218 PolarHBondContact O-N 3.46Å; E214-K218 WeakPolarHBondContact OE1-CE 3.35Å; E214-K218 IonicContact OE1-NZ 3.44Å; E214-K218 PolarHBondContact OE1-NZ 2.91Å; E214-K218 IonicContact OE2-NZ 3.69Å; E214-K218 PolarHBondContact OE2-NZ 2.97Å; D215-K218 PolarHBondContact O-N 3.22Å; V216-K218 VanDerWaalsContact C-N 3.26Å; V216-K218 PolarHBondContact O-N 3.12Å
219	T	95.6	Very high	97.6	Very high	46 Å²	46	69.5 Å²	69.5	28%	0.282	35%	0.352	S	S	.	.	H	α-helix	trans	-91.2	-21.4	-179.5	60.5	0	0	0	0	114.3	D215 V216 G217 Q222 Y223	D215-T219 WeakPolarHBondContact O-CG2 3.39Å; D215-T219 PolarHBondContact O-N 3.11Å; D215-T219 PolarHBondContact O-OG1 3.34Å; V216-T219 WeakPolarHBondContact O-CA 3.39Å; V216-T219 PolarHBondContact O-N 2.71Å; V216-T219 PolarHBondContact O-OG1 3.48Å; G217-T219 VanDerWaalsContact C-N 3.32Å; G217-T219 PolarHBondContact O-N 2.71Å; T219-Q222 PolarHBondContact O-N 3.45Å; T219-Y223 PolarHBondContact O-N 3.41Å; T219-Y223 VanDerWaalsContact O-N 3.08Å
220	T	97.6	Very high	97.7	Very high	39 Å²	39	67.7 Å²	67.7	24%	0.239	35%	0.346	C	S	.	.	H	α-helix	trans	-57.7	-42.8	-177.1	-60.4	0	0	0	0	114.1	W146 V216 Q222 Y223 M224	W146-T220 PolarHBondContact NE1-OG1 2.88Å; V216-T220 PolarHBondContact O-N 2.95Å; V216-T220 PolarHBondContact O-OG1 3.24Å; V216-T220 VanDerWaalsContact O-OG1 3.1Å; T220-Q222 PolarHBondContact O-N 3.01Å; T220-Y223 WeakPolarHBondContact O-CB 3.48Å; T220-Y223 PolarHBondContact O-N 3.13Å; T220-M224 HydrophobicContact CG2-CG 4.27Å; T220-M224 HydrophobicContact CG2-SD 3.99Å; T220-M224 WeakPolarHBondContact O-CG 3.49Å; T220-M224 PolarHBondContact O-N 2.99Å
221	P	98.3	Very high	97.7	Very high	84 Å²	84	66 Å²	66	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-60.5	-45.7	179.6	-25.6	35.3	0	0	0	113.1	G217 Y223 M224 E225	G217-P221 VanDerWaalsContact O-CD 3.29Å; G217-P221 WeakPolarHBondContact O-CD 3.44Å; P221-Y223 VanDerWaalsContact C-N 3.3Å; P221-Y223 PolarHBondContact O-N 3.2Å; P221-M224 PolarHBondContact O-N 3.04Å; P221-E225 PolarHBondContact O-N 3.36Å
222	Q	97.8	Very high	97.7	Very high	99 Å²	99	64 Å²	64	46%	0.463	33%	0.33	S	S	.	.	H	α-helix	trans	-67.6	-31.9	177.8	-172.3	65.3	85.8	0	0	112.1	T219 T220 E225 N226	T219-Q222 PolarHBondContact O-N 3.45Å; T220-Q222 PolarHBondContact O-N 3.01Å; Q222-E225 PolarHBondContact NE2-OE2 3.06Å; Q222-N226 WeakPolarHBondContact O-CB 3.49Å; Q222-N226 PolarHBondContact O-N 3.06Å; Q222-N226 VanDerWaalsContact O-N 3.16Å; Q222-N226 PolarHBondContact O-ND2 3.29Å
223	Y	98.3	Very high	97.8	Very high	8 Å²	8	68.7 Å²	68.7	3%	0.031	35%	0.351	C	S	.	.	H	α-helix	trans	-63.4	-48.8	171.7	162.2	-120.2	0	0	0	111.4	W20 Q143 W146 T219 T220 P221 N226 M227	W20-Y223 HydrophobicContact CE3-CE1 4.03Å; W20-Y223 PolarHBondContact O-OH 3.43Å; Q143-Y223 HydrophobicContact CB-CE2 3.85Å; Q143-Y223 HydrophobicContact CG-CE2 3.62Å; Q143-Y223 PolarHBondContact NE2-OH 3.42Å; W146-Y223 HydrophobicContact CB-CD1 4.21Å; W146-Y223 HydrophobicContact CB-CD2 3.85Å; W146-Y223 HydrophobicContact CB-CE2 4.49Å; W146-Y223 HydrophobicContact CB-CG 3.68Å; W146-Y223 AromaticContact CD1-CD1 3.83Å; W146-Y223 AromaticContact CD2-CD1 3.62Å; W146-Y223 HydrophobicContact CD2-CD1 3.62Å; W146-Y223 HydrophobicContact CD2-CD2 4.43Å; W146-Y223 AromaticContact CD2-CE1 3.64Å; W146-Y223 HydrophobicContact CD2-CE1 3.64Å; W146-Y223 HydrophobicContact CD2-CE2 4.46Å; W146-Y223 HydrophobicContact CD2-CG 4.02Å; W146-Y223 AromaticContact CE2-CD1 3.84Å; W146-Y223 AromaticContact CE2-CE1 3.88Å; W146-Y223 HydrophobicContact CE3-CD1 4.12Å; W146-Y223 AromaticContact CE3-CE1 3.68Å; W146-Y223 HydrophobicContact CE3-CE1 3.68Å; W146-Y223 HydrophobicContact CE3-CE2 4.16Å; W146-Y223 AromaticContact CE3-CZ 3.7Å; W146-Y223 AromaticContact CG-CD1 3.64Å; W146-Y223 HydrophobicContact CG-CD1 3.64Å; W146-Y223 HydrophobicContact CG-CD2 4.15Å; W146-Y223 HydrophobicContact CG-CE1 4.15Å; W146-Y223 AromaticContact CG-CG 3.63Å; W146-Y223 HydrophobicContact CG-CG 3.63Å; W146-Y223 HydrophobicContact CH2-CE1 4.22Å; W146-Y223 HydrophobicContact CZ2-CE1 4.18Å; W146-Y223 AromaticContact CZ3-CE1 3.97Å; W146-Y223 HydrophobicContact CZ3-CE1 3.97Å; W146-Y223 AromaticContact NE1-CD1 3.92Å; T219-Y223 PolarHBondContact O-N 3.41Å; T219-Y223 VanDerWaalsContact O-N 3.08Å; T220-Y223 WeakPolarHBondContact O-CB 3.48Å; T220-Y223 PolarHBondContact O-N 3.13Å; P221-Y223 VanDerWaalsContact C-N 3.3Å; P221-Y223 PolarHBondContact O-N 3.2Å; Y223-N226 PolarHBondContact O-N 3.45Å; Y223-M227 HydrophobicContact CD2-CG 3.6Å; Y223-M227 HydrophobicContact CD2-SD 4.42Å; Y223-M227 HydrophobicContact CE2-CE 4.3Å; Y223-M227 HydrophobicContact CE2-CG 3.21Å; Y223-M227 HydrophobicContact CE2-SD 3.73Å; Y223-M227 WeakPolarHBondContact O-CB 3.35Å; Y223-M227 VanDerWaalsContact O-CG 3.23Å; Y223-M227 WeakPolarHBondContact O-CG 3.36Å; Y223-M227 PolarHBondContact O-N 3.17Å
224	M	98.6	Very high	97.9	Very high	71 Å²	71	65 Å²	65	35%	0.35	33%	0.332	S	S	.	.	H	α-helix	trans	-59.8	-51.5	178.8	-68.8	176.5	67.5	0	0	111.6	W20 T220 P221 N226 M227 E228	W20-M224 HydrophobicContact CE3-CG 4.35Å; W20-M224 HydrophobicContact CH2-CB 4.03Å; W20-M224 HydrophobicContact CH2-CE 4.11Å; W20-M224 HydrophobicContact CH2-CG 3.95Å; W20-M224 HydrophobicContact CZ2-CE 3.97Å; W20-M224 HydrophobicContact CZ3-CB 4.1Å; W20-M224 HydrophobicContact CZ3-CG 3.85Å; T220-M224 HydrophobicContact CG2-CG 4.27Å; T220-M224 HydrophobicContact CG2-SD 3.99Å; T220-M224 WeakPolarHBondContact O-CG 3.49Å; T220-M224 PolarHBondContact O-N 2.99Å; P221-M224 PolarHBondContact O-N 3.04Å; M224-N226 VanDerWaalsContact C-N 3.34Å; M224-N226 PolarHBondContact O-N 3.23Å; M224-M227 PolarHBondContact O-N 2.97Å; M224-M227 VanDerWaalsContact O-N 3.12Å; M224-E228 WeakPolarHBondContact O-CB 3.38Å; M224-E228 WeakPolarHBondContact O-CG 3.43Å; M224-E228 PolarHBondContact O-N 3.35Å
225	E	98.6	Very high	97.9	Very high	120 Å²	120	62.9 Å²	62.9	56%	0.561	32%	0.322	S	S	*	.	H	α-helix	trans	-53.9	-47.4	177.3	-177.3	-176.2	-155.6	0	0	112.4	P221 Q222 M227 E228 Q229	P221-E225 PolarHBondContact O-N 3.36Å; Q222-E225 PolarHBondContact NE2-OE2 3.06Å; E225-M227 PolarHBondContact O-N 3.49Å; E225-E228 PolarHBondContact O-N 3.29Å; E225-Q229 WeakPolarHBondContact O-CB 3.4Å; E225-Q229 PolarHBondContact O-N 2.98Å
226	N	98.6	Very high	98.1	Very high	52 Å²	52	65 Å²	65	28%	0.278	33%	0.331	S	S	.	.	H	α-helix	trans	-67.3	-35	-180	-72.4	-33.1	0	0	0	112.8	A142 Q222 Y223 M224 V230	A142-N226 HydrophobicContact CB-CB 3.67Å; Q222-N226 WeakPolarHBondContact O-CB 3.49Å; Q222-N226 PolarHBondContact O-N 3.06Å; Q222-N226 VanDerWaalsContact O-N 3.16Å; Q222-N226 PolarHBondContact O-ND2 3.29Å; Y223-N226 PolarHBondContact O-N 3.45Å; M224-N226 VanDerWaalsContact C-N 3.34Å; M224-N226 PolarHBondContact O-N 3.23Å; N226-V230 WeakPolarHBondContact O-CG2 3.34Å; N226-V230 PolarHBondContact O-N 2.86Å
227	M	98.8	Very high	98.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-72.9	-42.6	177.1	-71.4	-68.1	-72	0	0	111.5	F19 W20 Y25 F139 A142 Q143 Y223 M224 E225 Q229 V230 F231	F19-M227 HydrophobicContact CE1-CB 4.24Å; F19-M227 HydrophobicContact CE1-CE 4.1Å; F19-M227 HydrophobicContact CE2-CE 4.35Å; F19-M227 HydrophobicContact CZ-CB 4.41Å; F19-M227 HydrophobicContact CZ-CE 3.76Å; W20-M227 HydrophobicContact CZ3-CB 3.89Å; W20-M227 HydrophobicContact CZ3-CG 4.42Å; Y25-M227 HydrophobicContact CD1-CE 3.9Å; Y25-M227 HydrophobicContact CG-CE 4.35Å; F139-M227 HydrophobicContact CD1-CE 3.73Å; F139-M227 HydrophobicContact CD1-SD 3.86Å; F139-M227 HydrophobicContact CE1-CE 4.29Å; A142-M227 HydrophobicContact CB-CG 4.25Å; A142-M227 HydrophobicContact CB-SD 3.77Å; Q143-M227 HydrophobicContact CB-SD 3.91Å; Y223-M227 HydrophobicContact CD2-CG 3.6Å; Y223-M227 HydrophobicContact CD2-SD 4.42Å; Y223-M227 HydrophobicContact CE2-CE 4.3Å; Y223-M227 HydrophobicContact CE2-CG 3.21Å; Y223-M227 HydrophobicContact CE2-SD 3.73Å; Y223-M227 WeakPolarHBondContact O-CB 3.35Å; Y223-M227 VanDerWaalsContact O-CG 3.23Å; Y223-M227 WeakPolarHBondContact O-CG 3.36Å; Y223-M227 PolarHBondContact O-N 3.17Å; M224-M227 PolarHBondContact O-N 2.97Å; M224-M227 VanDerWaalsContact O-N 3.12Å; E225-M227 PolarHBondContact O-N 3.49Å; M227-Q229 VanDerWaalsContact C-N 3.33Å; M227-V230 PolarHBondContact O-N 3.35Å; M227-F231 VanDerWaalsContact O-CB 3.31Å; M227-F231 WeakPolarHBondContact O-CB 3.36Å; M227-F231 PolarHBondContact O-N 3.31Å
228	E	98.8	Very high	98.4	Very high	97 Å²	97	65.3 Å²	65.3	45%	0.453	32%	0.319	S	S	.	.	H	α-helix	trans	-61.7	-41.2	175.8	-74.4	170.2	-165.5	0	0	110.9	W20 M224 E225 V230 F231 E232	W20-E228 HydrophobicContact CH2-CG 3.94Å; W20-E228 WeakPolarHBondContact CH2-OE1 3.39Å; M224-E228 WeakPolarHBondContact O-CB 3.38Å; M224-E228 WeakPolarHBondContact O-CG 3.43Å; M224-E228 PolarHBondContact O-N 3.35Å; E225-E228 PolarHBondContact O-N 3.29Å; E228-V230 PolarHBondContact O-N 2.8Å; E228-F231 PolarHBondContact O-N 3.38Å; E228-E232 VanDerWaalsContact O-CB 3.28Å; E228-E232 WeakPolarHBondContact O-CB 3.4Å; E228-E232 PolarHBondContact O-N 3.41Å
229	Q	98.8	Very high	98.5	Very high	118 Å²	118	65.2 Å²	65.2	55%	0.551	32%	0.32	S	S	*	.	H	α-helix	trans	-58	-44.5	175.7	-172.5	-178	39.5	0	0	112.8	E225 M227 Q233	E225-Q229 WeakPolarHBondContact O-CB 3.4Å; E225-Q229 PolarHBondContact O-N 2.98Å; M227-Q229 VanDerWaalsContact C-N 3.33Å; Q229-Q233 WeakPolarHBondContact O-CG 3.5Å; Q229-Q233 PolarHBondContact O-N 2.93Å
230	V	98.8	Very high	98.6	Very high	15 Å²	15	69.5 Å²	69.5	9%	0.091	34%	0.335	C	S	.	.	H	α-helix	trans	-74	-37.4	178.4	-179.4	0	0	0	0	111	F139 N226 M227 E228 Q233 C234	F139-V230 HydrophobicContact CD1-CB 3.9Å; F139-V230 HydrophobicContact CD1-CG1 3.76Å; F139-V230 HydrophobicContact CD2-CG1 3.83Å; F139-V230 HydrophobicContact CE1-CB 3.81Å; F139-V230 HydrophobicContact CE1-CG1 3.76Å; F139-V230 HydrophobicContact CE2-CG1 3.84Å; F139-V230 HydrophobicContact CG-CB 4.41Å; F139-V230 HydrophobicContact CG-CG1 3.8Å; F139-V230 HydrophobicContact CZ-CB 4.26Å; F139-V230 HydrophobicContact CZ-CG1 3.81Å; N226-V230 WeakPolarHBondContact O-CG2 3.34Å; N226-V230 PolarHBondContact O-N 2.86Å; M227-V230 PolarHBondContact O-N 3.35Å; E228-V230 PolarHBondContact O-N 2.8Å; V230-Q233 PolarHBondContact O-N 3.34Å; V230-C234 PolarHBondContact O-N 3.36Å; V230-C234 VanDerWaalsContact O-N 3.14Å; V230-C234 PolarHBondContact O-SG 3.16Å
231	F	98.8	Very high	98.7	Very high	64 Å²	64	68.4 Å²	68.4	28%	0.281	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-43.3	175.5	-177.7	-94.8	0	0	0	112	F19 T28 F139 M227 E228 Q233 C234 Q235	F19-F231 AromaticContact CE2-CD2 3.9Å; F19-F231 HydrophobicContact CE2-CD2 3.9Å; F19-F231 HydrophobicContact CZ-CB 4.23Å; F19-F231 HydrophobicContact CZ-CD2 4.06Å; F19-F231 HydrophobicContact CZ-CG 4.42Å; T28-F231 HydrophobicContact CG2-CD2 3.79Å; T28-F231 HydrophobicContact CG2-CE2 3.93Å; F139-F231 HydrophobicContact CE1-CB 4.12Å; F139-F231 HydrophobicContact CZ-CB 4.14Å; F139-F231 HydrophobicContact CZ-CD2 4.47Å; M227-F231 VanDerWaalsContact O-CB 3.31Å; M227-F231 WeakPolarHBondContact O-CB 3.36Å; M227-F231 PolarHBondContact O-N 3.31Å; E228-F231 PolarHBondContact O-N 3.38Å; F231-Q233 VanDerWaalsContact C-N 3.35Å; F231-Q233 PolarHBondContact O-N 2.82Å; F231-C234 CarbonylContact O-C 3.58Å; F231-C234 WeakPolarHBondContact O-CA 3.36Å; F231-C234 WeakPolarHBondContact O-CB 3.23Å; F231-C234 PolarHBondContact O-N 2.94Å; F231-Q235 HydrophobicContact CD1-CG 3.81Å; F231-Q235 HydrophobicContact CE1-CG 3.44Å; F231-Q235 VanDerWaalsContact CE1-CG 3.44Å; F231-Q235 HydrophobicContact CZ-CG 3.98Å; F231-Q235 WeakPolarHBondContact O-CG 3.22Å; F231-Q235 PolarHBondContact O-N 3.08Å
232	E	98.8	Very high	98.7	Very high	92 Å²	92	69 Å²	69	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-66	-36.1	179.2	-178.3	50.3	-149.1	0	0	112	E228 C234 Q235 Q236	E228-E232 VanDerWaalsContact O-CB 3.28Å; E228-E232 WeakPolarHBondContact O-CB 3.4Å; E228-E232 PolarHBondContact O-N 3.41Å; E232-C234 VanDerWaalsContact C-N 3.31Å; E232-C234 PolarHBondContact O-N 2.99Å; E232-Q235 WeakPolarHBondContact O-CB 3.46Å; E232-Q235 PolarHBondContact O-N 3.34Å; E232-Q235 VanDerWaalsContact O-N 3.15Å; E232-Q236 WeakPolarHBondContact O-CG 3.38Å; E232-Q236 PolarHBondContact O-N 2.96Å; E232-Q236 WeakPolarHBondContact OE1-CG 3.22Å; E232-Q236 PolarHBondContact OE1-NE2 3.15Å
233	Q	98.8	Very high	98.7	Very high	115 Å²	115	67.6 Å²	67.6	54%	0.537	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-39.3	169.3	-69.4	170.7	5.5	0	0	112	Q229 V230 F231 Q235 F237	Q229-Q233 WeakPolarHBondContact O-CG 3.5Å; Q229-Q233 PolarHBondContact O-N 2.93Å; V230-Q233 PolarHBondContact O-N 3.34Å; F231-Q233 VanDerWaalsContact C-N 3.35Å; F231-Q233 PolarHBondContact O-N 2.82Å; Q233-Q235 VanDerWaalsContact C-N 3.33Å; Q233-F237 PolarHBondContact O-N 2.97Å; Q233-F237 VanDerWaalsContact O-N 3.07Å
234	C	98.8	Very high	98.8	Very high	7 Å²	7	68 Å²	68	5%	0.047	33%	0.325	C	S	.	.	H	α-helix	trans	-70.6	-27.2	174.9	-59.5	0	0	0	0	113	T28 R31 V230 F231 E232 E238	T28-C234 HydrophobicContact CG2-CB 3.62Å; R31-C234 PolarHBondContact NH2-O 2.67Å; V230-C234 PolarHBondContact O-N 3.36Å; V230-C234 VanDerWaalsContact O-N 3.14Å; V230-C234 PolarHBondContact O-SG 3.16Å; F231-C234 CarbonylContact O-C 3.58Å; F231-C234 WeakPolarHBondContact O-CA 3.36Å; F231-C234 WeakPolarHBondContact O-CB 3.23Å; F231-C234 PolarHBondContact O-N 2.94Å; E232-C234 VanDerWaalsContact C-N 3.31Å; E232-C234 PolarHBondContact O-N 2.99Å; C234-E238 WeakPolarHBondContact O-CB 3.45Å; C234-E238 PolarHBondContact O-N 2.81Å
235	Q	98.8	Very high	98.8	Very high	69 Å²	69	65.8 Å²	65.8	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-72	-47.5	172.8	-71.7	-74.3	100.8	0	0	110.9	R31 F231 E232 Q233 F237 E238 E239	R31-Q235 VanDerWaalsContact CZ-OE1 3.29Å; F231-Q235 HydrophobicContact CD1-CG 3.81Å; F231-Q235 HydrophobicContact CE1-CG 3.44Å; F231-Q235 VanDerWaalsContact CE1-CG 3.44Å; F231-Q235 HydrophobicContact CZ-CG 3.98Å; F231-Q235 WeakPolarHBondContact O-CG 3.22Å; F231-Q235 PolarHBondContact O-N 3.08Å; E232-Q235 WeakPolarHBondContact O-CB 3.46Å; E232-Q235 PolarHBondContact O-N 3.34Å; E232-Q235 VanDerWaalsContact O-N 3.15Å; Q233-Q235 VanDerWaalsContact C-N 3.33Å; Q235-F237 VanDerWaalsContact C-N 3.3Å; Q235-F237 PolarHBondContact O-N 3.35Å; Q235-E238 PolarHBondContact O-N 3.18Å; Q235-E238 VanDerWaalsContact O-N 3.15Å; Q235-E239 WeakPolarHBondContact O-CB 3.47Å; Q235-E239 PolarHBondContact O-N 3.04Å
236	Q	98.8	Very high	98.8	Very high	91 Å²	91	66.8 Å²	66.8	43%	0.425	32%	0.317	S	S	.	.	H	α-helix	trans	-64.6	-31.4	177.7	-69	169.5	16.6	0	0	113.1	E232 K240	E232-Q236 WeakPolarHBondContact O-CG 3.38Å; E232-Q236 PolarHBondContact O-N 2.96Å; E232-Q236 WeakPolarHBondContact OE1-CG 3.22Å; E232-Q236 PolarHBondContact OE1-NE2 3.15Å; Q236-K240 WeakPolarHBondContact O-CG 3.29Å; Q236-K240 PolarHBondContact O-N 2.98Å
237	F	98.8	Very high	98.8	Very high	41 Å²	41	69 Å²	69	18%	0.18	33%	0.325	C	S	.	.	H	α-helix	trans	-68.3	-44	171.8	-175.5	-98.2	0	0	0	111.9	I32 A120 Y121 E131 Q233 Q235 K240	I32-F237 HydrophobicContact CG2-CD1 4.44Å; I32-F237 HydrophobicContact CG2-CE1 3.92Å; A120-F237 HydrophobicContact CB-CZ 4.49Å; Y121-F237 HydrophobicContact CD1-CE1 4.46Å; Y121-F237 HydrophobicContact CD1-CZ 4.09Å; Y121-F237 AromaticContact CE1-CE1 3.6Å; Y121-F237 HydrophobicContact CE1-CE1 3.6Å; Y121-F237 AromaticContact CE1-CZ 3.62Å; Y121-F237 HydrophobicContact CE1-CZ 3.62Å; Y121-F237 AromaticContact CZ-CE1 3.8Å; Y121-F237 AromaticContact CZ-CZ 3.86Å; E131-F237 HydrophobicContact CB-CZ 4.44Å; E131-F237 HydrophobicContact CG-CE2 4.1Å; E131-F237 HydrophobicContact CG-CZ 4.23Å; Q233-F237 PolarHBondContact O-N 2.97Å; Q233-F237 VanDerWaalsContact O-N 3.07Å; Q235-F237 VanDerWaalsContact C-N 3.3Å; Q235-F237 PolarHBondContact O-N 3.35Å; F237-K240 PolarHBondContact O-N 2.81Å
238	E	98.8	Very high	98.8	Very high	20 Å²	20	69 Å²	69	9%	0.093	33%	0.325	C	S	.	.	H	α-helix	trans	-67.7	-38	176.8	174.9	64.3	176.5	0	0	112.4	C234 Q235 K240 R241 L242	C234-E238 WeakPolarHBondContact O-CB 3.45Å; C234-E238 PolarHBondContact O-N 2.81Å; Q235-E238 PolarHBondContact O-N 3.18Å; Q235-E238 VanDerWaalsContact O-N 3.15Å; E238-K240 VanDerWaalsContact C-N 3.32Å; E238-K240 PolarHBondContact O-N 2.87Å; E238-R241 WeakPolarHBondContact O-CB 3.42Å; E238-R241 PolarHBondContact O-N 3.34Å; E238-R241 IonicContact OE1-CZ 2.68Å; E238-R241 IonicContact OE1-NE 3.67Å; E238-R241 IonicContact OE1-NH2 2.76Å; E238-R241 PolarHBondContact OE1-NH2 3.1Å; E238-R241 IonicContact OE2-CZ 3.04Å; E238-R241 IonicContact OE2-NE 2.67Å; E238-R241 PolarHBondContact OE2-NE 2.8Å; E238-R241 IonicContact OE2-NH2 2.66Å; E238-L242 HydrophobicContact CG-CD1 3.95Å; E238-L242 HydrophobicContact CG-CG 4.19Å; E238-L242 WeakPolarHBondContact O-CG 3.34Å; E238-L242 PolarHBondContact O-N 3.26Å
239	E	98.8	Very high	98.8	Very high	121 Å²	121	69 Å²	69	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-56.6	-45.1	176.5	-177.7	180	-148.9	0	0	111.4	Q235 R241 L242 V243	Q235-E239 WeakPolarHBondContact O-CB 3.47Å; Q235-E239 PolarHBondContact O-N 3.04Å; E239-R241 VanDerWaalsContact C-N 3.27Å; E239-R241 PolarHBondContact O-N 3.43Å; E239-L242 PolarHBondContact O-N 3.09Å; E239-L242 VanDerWaalsContact O-N 3.15Å; E239-V243 HydrophobicContact CG-CG2 4.29Å; E239-V243 WeakPolarHBondContact O-CG2 3.13Å; E239-V243 PolarHBondContact O-N 3.32Å
240	K	98.8	Very high	98.8	Very high	136 Å²	136	68.5 Å²	68.5	59%	0.591	33%	0.329	S	S	*	.	H	α-helix	trans	-56.1	-42.6	175.4	-69.3	167.9	-172.9	175.7	0	111.8	W116 Q236 F237 E238 F244	W116-K240 HydrophobicContact CZ2-CB 4.5Å; Q236-K240 WeakPolarHBondContact O-CG 3.29Å; Q236-K240 PolarHBondContact O-N 2.98Å; F237-K240 PolarHBondContact O-N 2.81Å; E238-K240 VanDerWaalsContact C-N 3.32Å; E238-K240 PolarHBondContact O-N 2.87Å; K240-F244 WeakPolarHBondContact O-CB 3.42Å; K240-F244 PolarHBondContact O-N 3.47Å
241	R	98.8	Very high	98.8	Very high	17 Å²	17	69.4 Å²	69.4	6%	0.064	33%	0.333	C	S	.	.	H	α-helix	trans	-65.1	-46.7	176.6	-166.9	-173.6	71.9	80.5	7.7	111.3	W116 E238 E239 F244 L245	W116-R241 HydrophobicContact CH2-CB 3.61Å; W116-R241 HydrophobicContact CH2-CG 3.63Å; W116-R241 HydrophobicContact CZ2-CB 4.18Å; W116-R241 HydrophobicContact CZ3-CB 4.41Å; W116-R241 HydrophobicContact CZ3-CG 3.93Å; E238-R241 WeakPolarHBondContact O-CB 3.42Å; E238-R241 PolarHBondContact O-N 3.34Å; E238-R241 IonicContact OE1-CZ 2.68Å; E238-R241 IonicContact OE1-NE 3.67Å; E238-R241 IonicContact OE1-NH2 2.76Å; E238-R241 PolarHBondContact OE1-NH2 3.1Å; E238-R241 IonicContact OE2-CZ 3.04Å; E238-R241 IonicContact OE2-NE 2.67Å; E238-R241 PolarHBondContact OE2-NE 2.8Å; E238-R241 IonicContact OE2-NH2 2.66Å; E239-R241 VanDerWaalsContact C-N 3.27Å; E239-R241 PolarHBondContact O-N 3.43Å; R241-F244 PolarHBondContact O-N 3.28Å; R241-L245 HydrophobicContact CG-CD1 4.24Å; R241-L245 HydrophobicContact CG-CG 4.4Å; R241-L245 VanDerWaalsContact NH1-CD1 3.26Å; R241-L245 WeakPolarHBondContact O-CB 3.19Å; R241-L245 VanDerWaalsContact O-CG 3.3Å; R241-L245 WeakPolarHBondContact O-CG 3.23Å; R241-L245 PolarHBondContact O-N 3Å
242	L	98.8	Very high	98.8	Very high	96 Å²	96	67.3 Å²	67.3	50%	0.503	32%	0.324	S	S	.	.	H	α-helix	trans	-63.8	-43.5	-178.7	-67.7	174	0	0	0	112.3	E238 E239 K246	E238-L242 HydrophobicContact CG-CD1 3.95Å; E238-L242 HydrophobicContact CG-CG 4.19Å; E238-L242 WeakPolarHBondContact O-CG 3.34Å; E238-L242 PolarHBondContact O-N 3.26Å; E239-L242 PolarHBondContact O-N 3.09Å; E239-L242 VanDerWaalsContact O-N 3.15Å; L242-K246 WeakPolarHBondContact O-CB 3.4Å; L242-K246 PolarHBondContact O-N 2.97Å; L242-K246 VanDerWaalsContact O-N 3.13Å
243	V	98.8	Very high	98.8	Very high	70 Å²	70	67.7 Å²	67.7	42%	0.424	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-48.4	175.5	174.8	0	0	0	0	110.6	E239 L245 K246 E247	E239-V243 HydrophobicContact CG-CG2 4.29Å; E239-V243 WeakPolarHBondContact O-CG2 3.13Å; E239-V243 PolarHBondContact O-N 3.32Å; V243-L245 PolarHBondContact O-N 3.43Å; V243-K246 WeakPolarHBondContact O-CB 3.38Å; V243-K246 PolarHBondContact O-N 3.38Å; V243-E247 PolarHBondContact O-N 3.28Å
244	F	98.9	Very high	98.8	Very high	17 Å²	17	68.9 Å²	68.9	8%	0.075	32%	0.324	C	S	.	.	H	α-helix	trans	-58.3	-47.6	178.7	171.5	-105.7	0	0	0	112.9	K112 V113 W116 K240 R241 K246 E247 V248	K112-F244 HydrophobicContact CG-CE2 3.93Å; K112-F244 HydrophobicContact CG-CZ 4.06Å; V113-F244 HydrophobicContact CB-CE1 4.49Å; V113-F244 HydrophobicContact CG2-CE1 4.21Å; V113-F244 HydrophobicContact CG2-CZ 4.33Å; W116-F244 HydrophobicContact CB-CD1 4.19Å; W116-F244 HydrophobicContact CB-CD2 4.34Å; W116-F244 HydrophobicContact CB-CE1 3.58Å; W116-F244 HydrophobicContact CB-CE2 3.73Å; W116-F244 HydrophobicContact CB-CZ 3.32Å; W116-F244 AromaticContact CD1-CD1 3.98Å; W116-F244 AromaticContact CD1-CD2 3.55Å; W116-F244 AromaticContact CD1-CE2 3.78Å; W116-F244 AromaticContact CD1-CG 3.66Å; W116-F244 AromaticContact CD2-CD1 3.42Å; W116-F244 HydrophobicContact CD2-CD1 3.42Å; W116-F244 VanDerWaalsContact CD2-CD1 3.42Å; W116-F244 HydrophobicContact CD2-CD2 4.41Å; W116-F244 AromaticContact CD2-CE1 3.67Å; W116-F244 HydrophobicContact CD2-CE1 3.67Å; W116-F244 AromaticContact CD2-CG 3.85Å; W116-F244 HydrophobicContact CD2-CG 3.85Å; W116-F244 HydrophobicContact CD2-CZ 4.26Å; W116-F244 AromaticContact CE2-CD1 3.84Å; W116-F244 AromaticContact CE2-CG 3.87Å; W116-F244 AromaticContact CE3-CD1 3.73Å; W116-F244 HydrophobicContact CE3-CD1 3.73Å; W116-F244 AromaticContact CE3-CE1 3.86Å; W116-F244 HydrophobicContact CE3-CE1 3.86Å; W116-F244 AromaticContact CG-CD1 3.6Å; W116-F244 HydrophobicContact CG-CD1 3.6Å; W116-F244 AromaticContact CG-CD2 3.85Å; W116-F244 HydrophobicContact CG-CD2 3.85Å; W116-F244 AromaticContact CG-CE1 3.52Å; W116-F244 HydrophobicContact CG-CE1 3.52Å; W116-F244 AromaticContact CG-CE2 3.75Å; W116-F244 HydrophobicContact CG-CE2 3.75Å; W116-F244 AromaticContact CG-CG 3.77Å; W116-F244 HydrophobicContact CG-CG 3.77Å; W116-F244 AromaticContact CG-CZ 3.6Å; W116-F244 HydrophobicContact CG-CZ 3.6Å; W116-F244 HydrophobicContact CZ2-CB 4.47Å; W116-F244 HydrophobicContact CZ3-CD1 4.42Å; W116-F244 AromaticContact NE1-CD2 3.97Å; W116-F244 AromaticContact NE1-CG 3.68Å; K240-F244 WeakPolarHBondContact O-CB 3.42Å; K240-F244 PolarHBondContact O-N 3.47Å; R241-F244 PolarHBondContact O-N 3.28Å; F244-K246 VanDerWaalsContact C-N 3.3Å; F244-K246 PolarHBondContact O-N 3.28Å; F244-E247 WeakPolarHBondContact O-CB 3.31Å; F244-E247 PolarHBondContact O-N 2.69Å; F244-V248 HydrophobicContact CD2-CG2 4.35Å; F244-V248 HydrophobicContact CE1-CG2 3.97Å; F244-V248 HydrophobicContact CE2-CG2 3.76Å; F244-V248 HydrophobicContact CZ-CG2 3.53Å; F244-V248 PolarHBondContact O-N 3.26Å
245	L	98.7	Very high	98.8	Very high	23 Å²	23	69.5 Å²	69.5	12%	0.12	33%	0.326	C	S	.	.	H	α-helix	trans	-66.3	-33.6	179.1	-67.2	-172.8	0	0	0	112.1	L42 R241 V243 V248 L249	L42-L245 HydrophobicContact CD2-CD2 3.68Å; R241-L245 HydrophobicContact CG-CD1 4.24Å; R241-L245 HydrophobicContact CG-CG 4.4Å; R241-L245 VanDerWaalsContact NH1-CD1 3.26Å; R241-L245 WeakPolarHBondContact O-CB 3.19Å; R241-L245 VanDerWaalsContact O-CG 3.3Å; R241-L245 WeakPolarHBondContact O-CG 3.23Å; R241-L245 PolarHBondContact O-N 3Å; V243-L245 PolarHBondContact O-N 3.43Å; L245-V248 PolarHBondContact O-N 3.01Å; L245-L249 WeakPolarHBondContact O-CB 3.31Å; L245-L249 VanDerWaalsContact O-CG 3.22Å; L245-L249 WeakPolarHBondContact O-CG 3.36Å; L245-L249 PolarHBondContact O-N 3.04Å
246	K	98.8	Very high	98.7	Very high	142 Å²	142	68.4 Å²	68.4	62%	0.617	32%	0.322	S	S	*	.	H	α-helix	trans	-62.4	-41.6	172.1	178.8	-173	172.5	-171.4	0	111.8	L242 V243 F244 L249 L250	L242-K246 WeakPolarHBondContact O-CB 3.4Å; L242-K246 PolarHBondContact O-N 2.97Å; L242-K246 VanDerWaalsContact O-N 3.13Å; V243-K246 WeakPolarHBondContact O-CB 3.38Å; V243-K246 PolarHBondContact O-N 3.38Å; F244-K246 VanDerWaalsContact C-N 3.3Å; F244-K246 PolarHBondContact O-N 3.28Å; K246-L249 PolarHBondContact O-N 3.23Å; K246-L250 WeakPolarHBondContact O-CG 3.23Å; K246-L250 PolarHBondContact O-N 3.04Å
247	E	98.8	Very high	98.7	Very high	98 Å²	98	66.2 Å²	66.2	46%	0.458	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-48.9	175.5	-69.6	175.2	-176.1	0	0	111.4	V243 F244 L249 L250 D251	V243-E247 PolarHBondContact O-N 3.28Å; F244-E247 WeakPolarHBondContact O-CB 3.31Å; F244-E247 PolarHBondContact O-N 2.69Å; E247-L249 VanDerWaalsContact C-N 3.31Å; E247-L249 PolarHBondContact O-N 3.36Å; E247-L250 WeakPolarHBondContact O-CB 3.48Å; E247-L250 PolarHBondContact O-N 2.9Å; E247-D251 PolarHBondContact O-N 3.35Å
248	V	98.8	Very high	98.6	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.5	-39.6	177.3	172.9	0	0	0	0	112	L42 K112 V113 F244 L245 L250 D251 I252	L42-V248 HydrophobicContact CD2-CG1 4.28Å; K112-V248 HydrophobicContact CD-CG2 4.1Å; K112-V248 HydrophobicContact CG-CG2 4.24Å; V113-V248 HydrophobicContact CG2-CB 4.38Å; V113-V248 HydrophobicContact CG2-CG1 3.7Å; V113-V248 HydrophobicContact CG2-CG2 4.05Å; F244-V248 HydrophobicContact CD2-CG2 4.35Å; F244-V248 HydrophobicContact CE1-CG2 3.97Å; F244-V248 HydrophobicContact CE2-CG2 3.76Å; F244-V248 HydrophobicContact CZ-CG2 3.53Å; F244-V248 PolarHBondContact O-N 3.26Å; L245-V248 PolarHBondContact O-N 3.01Å; V248-L250 VanDerWaalsContact C-N 3.26Å; V248-L250 PolarHBondContact O-N 3.41Å; V248-D251 PolarHBondContact O-N 3Å; V248-I252 HydrophobicContact CG1-CD1 3.74Å; V248-I252 HydrophobicContact CG1-CG1 4.31Å; V248-I252 VanDerWaalsContact O-CG1 3.29Å; V248-I252 WeakPolarHBondContact O-CG1 3.31Å; V248-I252 PolarHBondContact O-N 2.62Å
249	L	98.9	Very high	98.4	Very high	98 Å²	98	67.9 Å²	67.9	51%	0.513	34%	0.336	S	S	.	.	H	α-helix	trans	-64.7	-29.5	176.3	-72.6	168.6	0	0	0	112.9	L42 L245 K246 E247 K253	L42-L249 HydrophobicContact CD1-CD2 4.34Å; L245-L249 WeakPolarHBondContact O-CB 3.31Å; L245-L249 VanDerWaalsContact O-CG 3.22Å; L245-L249 WeakPolarHBondContact O-CG 3.36Å; L245-L249 PolarHBondContact O-N 3.04Å; K246-L249 PolarHBondContact O-N 3.23Å; E247-L249 VanDerWaalsContact C-N 3.31Å; E247-L249 PolarHBondContact O-N 3.36Å; L249-K253 PolarHBondContact O-N 3.18Å
250	L	98.8	Very high	98.2	Very high	107 Å²	107	68.3 Å²	68.3	56%	0.56	34%	0.338	S	S	*	.	H	α-helix	trans	-75.9	-37.3	173.4	-68.5	169.1	0	0	0	112	K246 E247 V248 K253 R254	K246-L250 WeakPolarHBondContact O-CG 3.23Å; K246-L250 PolarHBondContact O-N 3.04Å; E247-L250 WeakPolarHBondContact O-CB 3.48Å; E247-L250 PolarHBondContact O-N 2.9Å; V248-L250 VanDerWaalsContact C-N 3.26Å; V248-L250 PolarHBondContact O-N 3.41Å; L250-K253 PolarHBondContact O-N 2.74Å; L250-R254 PolarHBondContact O-N 3.37Å
251	D	98.7	Very high	97.9	Very high	33 Å²	33	63.7 Å²	63.7	18%	0.176	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-46.3	172.4	-66.1	-36.6	0	0	0	110.8	D109 K112 E247 V248 K253 R254 H255	D109-D251 WeakPolarHBondContact OD1-CB 3.22Å; K112-D251 IonicContact NZ-OD2 3.52Å; K112-D251 PolarHBondContact NZ-OD2 3.13Å; E247-D251 PolarHBondContact O-N 3.35Å; V248-D251 PolarHBondContact O-N 3Å; D251-K253 PolarHBondContact O-N 3.41Å; D251-R254 WeakPolarHBondContact O-CA 3.38Å; D251-R254 VanDerWaalsContact O-CB 3.31Å; D251-R254 WeakPolarHBondContact O-CB 3.39Å; D251-R254 PolarHBondContact O-N 2.81Å; D251-H255 PolarHBondContact O-N 3.39Å; D251-H255 PolarHBondContact O-ND1 3.42Å
252	I	98.8	Very high	97.7	Very high	21 Å²	21	67.3 Å²	67.3	11%	0.108	35%	0.347	C	S	.	.	H	α-helix	trans	-57	-46.7	172.9	-68.6	163.3	0	0	0	110.9	V46 L105 D109 V248 R254 H255 L256	V46-I252 HydrophobicContact CG2-CD1 3.58Å; V46-I252 HydrophobicContact CG2-CG1 4.43Å; L105-I252 HydrophobicContact CD2-CG1 4.35Å; L105-I252 HydrophobicContact CD2-CG2 4.04Å; D109-I252 HydrophobicContact CB-CD1 4.41Å; D109-I252 HydrophobicContact CB-CG1 3.79Å; V248-I252 HydrophobicContact CG1-CD1 3.74Å; V248-I252 HydrophobicContact CG1-CG1 4.31Å; V248-I252 VanDerWaalsContact O-CG1 3.29Å; V248-I252 WeakPolarHBondContact O-CG1 3.31Å; V248-I252 PolarHBondContact O-N 2.62Å; I252-R254 PolarHBondContact O-N 3.33Å; I252-H255 PolarHBondContact O-N 3.21Å; I252-L256 HydrophobicContact CG2-CD1 3.68Å; I252-L256 HydrophobicContact CG2-CG 4.15Å; I252-L256 WeakPolarHBondContact O-CB 3.28Å; I252-L256 WeakPolarHBondContact O-CG 3.41Å; I252-L256 PolarHBondContact O-N 3.22Å
253	K	98.5	Very high	97.6	Very high	99 Å²	99	65.8 Å²	65.8	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-53.9	-43.3	174.3	175.4	-90.2	164.6	-176.8	0	111.2	L249 L250 D251 N257 E260	L249-K253 PolarHBondContact O-N 3.18Å; L250-K253 PolarHBondContact O-N 2.74Å; D251-K253 PolarHBondContact O-N 3.41Å; K253-N257 PolarHBondContact NZ-ND2 2.97Å; K253-N257 WeakPolarHBondContact O-CB 3.08Å; K253-N257 PolarHBondContact O-N 2.81Å; K253-E260 VanDerWaalsContact NZ-CD 3.26Å; K253-E260 IonicContact NZ-OE1 2.7Å; K253-E260 PolarHBondContact NZ-OE1 2.91Å; K253-E260 IonicContact NZ-OE2 3.53Å; K253-E260 PolarHBondContact NZ-OE2 3.4Å
254	R	98.4	Very high	97.4	Very high	141 Å²	141	65.9 Å²	65.9	53%	0.532	34%	0.338	S	S	.	.	H	α-helix	trans	-66.5	-47.6	-177.9	-175.9	-172.9	69	-179.3	3.7	110.7	L250 D251 I252 L256 N257	L250-R254 PolarHBondContact O-N 3.37Å; D251-R254 WeakPolarHBondContact O-CA 3.38Å; D251-R254 VanDerWaalsContact O-CB 3.31Å; D251-R254 WeakPolarHBondContact O-CB 3.39Å; D251-R254 PolarHBondContact O-N 2.81Å; I252-R254 PolarHBondContact O-N 3.33Å; R254-L256 VanDerWaalsContact C-N 3.32Å; R254-L256 PolarHBondContact O-N 2.96Å; R254-N257 PolarHBondContact O-N 3.39Å
255	H	98.6	Very high	97.3	Very high	20 Å²	20	68.7 Å²	68.7	9%	0.093	35%	0.353	C	S	.	.	H	α-helix	trans	-67	-31.3	-179.3	-61.3	149.4	0	0	0	113.3	V101 N104 E108 D109 D251 I252 N257	V101-H255 WeakPolarHBondContact CG2-O 3.43Å; N104-H255 HydrophobicContact CB-CB 4.07Å; E108-H255 IonicContact OE2-CE1 3.35Å; E108-H255 IonicContact OE2-NE2 3.98Å; D109-H255 VanDerWaalsContact CG-ND1 3.29Å; D109-H255 IonicContact OD1-CE1 3.96Å; D109-H255 PolarHBondContact OD1-CE1 2.91Å; D109-H255 VanDerWaalsContact OD1-CE1 3.26Å; D109-H255 IonicContact OD1-ND1 2.63Å; D109-H255 PolarHBondContact OD1-ND1 3.18Å; D109-H255 VanDerWaalsContact OD1-ND1 3.09Å; D109-H255 IonicContact OD2-CE1 2.88Å; D109-H255 IonicContact OD2-CG 2.76Å; D109-H255 IonicContact OD2-ND1 2.73Å; D109-H255 PolarHBondContact OD2-ND1 3Å; D251-H255 PolarHBondContact O-N 3.39Å; D251-H255 PolarHBondContact O-ND1 3.42Å; I252-H255 PolarHBondContact O-N 3.21Å; H255-N257 VanDerWaalsContact C-N 3.35Å
256	L	98.6	Very high	97.2	Very high	45 Å²	45	72.5 Å²	72.5	24%	0.236	37%	0.37	C	S	.	.	H	α-helix	trans	-75.6	-17.1	175.6	-67.8	177.7	0	0	0	114.3	R49 V101 L105 I252 R254 L258	R49-L256 HydrophobicContact CG-CD2 4.29Å; V101-L256 HydrophobicContact CG1-CD2 3.7Å; L105-L256 HydrophobicContact CD1-CD2 3.89Å; L105-L256 HydrophobicContact CD2-CD2 4.09Å; L105-L256 HydrophobicContact CD2-CG 4.36Å; L105-L256 HydrophobicContact CG-CD2 4.38Å; I252-L256 HydrophobicContact CG2-CD1 3.68Å; I252-L256 HydrophobicContact CG2-CG 4.15Å; I252-L256 WeakPolarHBondContact O-CB 3.28Å; I252-L256 WeakPolarHBondContact O-CG 3.41Å; I252-L256 PolarHBondContact O-N 3.22Å; R254-L256 VanDerWaalsContact C-N 3.32Å; R254-L256 PolarHBondContact O-N 2.96Å; L256-L258 PolarHBondContact O-N 3.44Å
257	N	98	Very high	97.2	Very high	46 Å²	46	66.2 Å²	66.2	25%	0.246	34%	0.343	C	S	.	.			trans	-93	76.9	-165.6	-166.9	15.7	0	0	0	114.5	K253 R254 H255 A259 E260	K253-N257 PolarHBondContact NZ-ND2 2.97Å; K253-N257 WeakPolarHBondContact O-CB 3.08Å; K253-N257 PolarHBondContact O-N 2.81Å; R254-N257 PolarHBondContact O-N 3.39Å; H255-N257 VanDerWaalsContact C-N 3.35Å; N257-A259 PolarHBondContact O-N 3.13Å; N257-A259 VanDerWaalsContact O-N 3.14Å; N257-A259 WeakPolarHBondContact OD1-CB 3.45Å; N257-A259 PolarHBondContact OD1-N 3.05Å; N257-E260 VanDerWaalsContact ND2-CG 3.33Å; N257-E260 WeakPolarHBondContact ND2-CG 3.46Å; N257-E260 PolarHBondContact ND2-OE1 3.09Å; N257-E260 VanDerWaalsContact ND2-OE1 3.13Å; N257-E260 PolarHBondContact ND2-OE2 3.3Å; N257-E260 PolarHBondContact O-N 3.31Å; N257-E260 VanDerWaalsContact O-N 3.15Å
258	L	97.1	Very high	97.2	Very high	19 Å²	19	65.6 Å²	65.6	10%	0.099	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-60.8	-19.6	175.6	-65.4	-179.4	0	0	0	114.2	L97 V101 L256 E260 N261 Y264	L97-L258 HydrophobicContact CB-CD1 4.5Å; L97-L258 HydrophobicContact CB-CD2 4.21Å; V101-L258 HydrophobicContact CG2-CD1 4.41Å; V101-L258 HydrophobicContact CG2-CD2 3.79Å; V101-L258 HydrophobicContact CG2-CG 4.13Å; L256-L258 PolarHBondContact O-N 3.44Å; L258-E260 VanDerWaalsContact C-N 3.26Å; L258-E260 PolarHBondContact O-N 2.99Å; L258-N261 HydrophobicContact CD2-CB 4.44Å; L258-N261 WeakPolarHBondContact O-CB 3.41Å; L258-N261 PolarHBondContact O-N 3.41Å; L258-Y264 HydrophobicContact CB-CD2 4.24Å; L258-Y264 HydrophobicContact CB-CG 4.24Å; L258-Y264 HydrophobicContact CD1-CD2 4.35Å; L258-Y264 HydrophobicContact CD1-CE2 4.43Å; L258-Y264 WeakPolarHBondContact O-CB 3.43Å
259	A	94.9	Very high	97.2	Very high	77 Å²	77	73.4 Å²	73.4	64%	0.636	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-68.9	-23	176.6	0	0	0	0	0	113.4	N257	N257-A259 PolarHBondContact O-N 3.13Å; N257-A259 VanDerWaalsContact O-N 3.14Å; N257-A259 WeakPolarHBondContact OD1-CB 3.45Å; N257-A259 PolarHBondContact OD1-N 3.05Å
260	E	93.3	Very high	97.1	Very high	130 Å²	130	71.9 Å²	71.9	61%	0.607	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-89.7	-3.5	171.7	-76.9	164.1	-174.6	0	0	112.2	K253 N257 L258	K253-E260 VanDerWaalsContact NZ-CD 3.26Å; K253-E260 IonicContact NZ-OE1 2.7Å; K253-E260 PolarHBondContact NZ-OE1 2.91Å; K253-E260 IonicContact NZ-OE2 3.53Å; K253-E260 PolarHBondContact NZ-OE2 3.4Å; N257-E260 VanDerWaalsContact ND2-CG 3.33Å; N257-E260 WeakPolarHBondContact ND2-CG 3.46Å; N257-E260 PolarHBondContact ND2-OE1 3.09Å; N257-E260 VanDerWaalsContact ND2-OE1 3.13Å; N257-E260 PolarHBondContact ND2-OE2 3.3Å; N257-E260 PolarHBondContact O-N 3.31Å; N257-E260 VanDerWaalsContact O-N 3.15Å; L258-E260 VanDerWaalsContact C-N 3.26Å; L258-E260 PolarHBondContact O-N 2.99Å
261	N	92.8	Very high	97.1	Very high	39 Å²	39	68.1 Å²	68.1	21%	0.209	34%	0.337	C	S	.	.			trans	-87.5	120.4	-177.7	-171.6	-35.2	0	0	0	111.5	L258 S263 Y264 I265	L258-N261 HydrophobicContact CD2-CB 4.44Å; L258-N261 WeakPolarHBondContact O-CB 3.41Å; L258-N261 PolarHBondContact O-N 3.41Å; N261-S263 VanDerWaalsContact C-N 3.32Å; N261-S263 PolarHBondContact O-N 3.31Å; N261-S263 VanDerWaalsContact OD1-CB 3.26Å; N261-S263 WeakPolarHBondContact OD1-CB 3.41Å; N261-S263 PolarHBondContact OD1-N 3.07Å; N261-Y264 WeakPolarHBondContact O-CB 3.36Å; N261-Y264 PolarHBondContact O-N 2.91Å; N261-I265 PolarHBondContact O-N 3.02Å
262	S	94.3	Very high	97.1	Very high	93 Å²	93	71 Å²	71	65%	0.65	35%	0.35	S	S	*	.	H	α-helix	trans	-66.3	-29.8	-179.3	53.2	0	0	0	0	113.8	I265 H266	S262-I265 PolarHBondContact O-N 3.41Å; S262-H266 PolarHBondContact O-N 3.17Å
263	S	96.1	Very high	97.1	Very high	63 Å²	63	77 Å²	77	44%	0.441	38%	0.377	S	S	.	.	H	α-helix	trans	-65.6	-40.7	175.1	-58.6	0	0	0	0	111.1	N261 I265 H266 V267	N261-S263 VanDerWaalsContact C-N 3.32Å; N261-S263 PolarHBondContact O-N 3.31Å; N261-S263 VanDerWaalsContact OD1-CB 3.26Å; N261-S263 WeakPolarHBondContact OD1-CB 3.41Å; N261-S263 PolarHBondContact OD1-N 3.07Å; S263-I265 VanDerWaalsContact C-N 3.31Å; S263-I265 PolarHBondContact O-N 3.44Å; S263-H266 WeakPolarHBondContact O-CA 3.31Å; S263-H266 WeakPolarHBondContact O-CB 3.46Å; S263-H266 PolarHBondContact O-N 2.9Å; S263-V267 WeakPolarHBondContact O-CG2 3.32Å; S263-V267 PolarHBondContact O-N 2.93Å
264	Y	96.4	Very high	97.1	Very high	72 Å²	72	74 Å²	74	28%	0.282	37%	0.371	S	S	.	.	H	α-helix	trans	-59.5	-41.8	175.9	-170.8	-104.3	0	0	0	111.5	V94 L97 L258 N261 H266 V267 Y268	V94-Y264 HydrophobicContact CG2-CE2 4.43Å; L97-Y264 HydrophobicContact CD1-CD2 3.85Å; L97-Y264 HydrophobicContact CD1-CG 4.45Å; L258-Y264 HydrophobicContact CB-CD2 4.24Å; L258-Y264 HydrophobicContact CB-CG 4.24Å; L258-Y264 HydrophobicContact CD1-CD2 4.35Å; L258-Y264 HydrophobicContact CD1-CE2 4.43Å; L258-Y264 WeakPolarHBondContact O-CB 3.43Å; N261-Y264 WeakPolarHBondContact O-CB 3.36Å; N261-Y264 PolarHBondContact O-N 2.91Å; Y264-H266 VanDerWaalsContact C-N 3.33Å; Y264-H266 PolarHBondContact O-N 3.4Å; Y264-V267 PolarHBondContact O-N 3.17Å; Y264-Y268 HydrophobicContact CD1-CE2 4.24Å; Y264-Y268 HydrophobicContact CD2-CE2 4.27Å; Y264-Y268 HydrophobicContact CE1-CD2 4.44Å; Y264-Y268 AromaticContact CE1-CE2 3.79Å; Y264-Y268 HydrophobicContact CE1-CE2 3.79Å; Y264-Y268 AromaticContact CE2-CE2 3.84Å; Y264-Y268 HydrophobicContact CE2-CE2 3.84Å; Y264-Y268 HydrophobicContact CG-CE2 4.46Å; Y264-Y268 AromaticContact CZ-CE2 3.58Å; Y264-Y268 VanDerWaalsContact O-CD2 3.28Å; Y264-Y268 WeakPolarHBondContact O-CD2 3.39Å
265	I	96	Very high	97.1	Very high	77 Å²	77	71.5 Å²	71.5	40%	0.395	37%	0.367	S	S	.	.	H	α-helix	trans	-65.4	-35.7	173.9	-60.3	172.3	0	0	0	111.6	N261 S262 S263 R269	N261-I265 PolarHBondContact O-N 3.02Å; S262-I265 PolarHBondContact O-N 3.41Å; S263-I265 VanDerWaalsContact C-N 3.31Å; S263-I265 PolarHBondContact O-N 3.44Å; I265-R269 WeakPolarHBondContact O-CG 3.49Å; I265-R269 PolarHBondContact O-N 3.47Å
266	H	97.3	Very high	97.1	Very high	103 Å²	103	79.5 Å²	79.5	48%	0.477	40%	0.397	S	S	.	.	H	α-helix	trans	-66.5	-41.6	179.8	-171.2	47.9	0	0	0	112.3	S262 S263 Y264 Y268 R269 E270	S262-H266 PolarHBondContact O-N 3.17Å; S263-H266 WeakPolarHBondContact O-CA 3.31Å; S263-H266 WeakPolarHBondContact O-CB 3.46Å; S263-H266 PolarHBondContact O-N 2.9Å; Y264-H266 VanDerWaalsContact C-N 3.33Å; Y264-H266 PolarHBondContact O-N 3.4Å; H266-Y268 VanDerWaalsContact C-N 3.34Å; H266-Y268 PolarHBondContact O-N 3.25Å; H266-R269 WeakPolarHBondContact O-CB 3.33Å; H266-R269 PolarHBondContact O-N 3.31Å; H266-E270 IonicContact CD2-OE2 3.8Å; H266-E270 PolarHBondContact CD2-OE2 3.48Å; H266-E270 IonicContact CG-OE2 3.68Å; H266-E270 IonicContact NE2-OE1 2.69Å; H266-E270 IonicContact NE2-OE2 2.77Å; H266-E270 PolarHBondContact O-N 2.97Å
267	V	98.4	Very high	97.1	Very high	9 Å²	9	79.6 Å²	79.6	6%	0.055	41%	0.409	C	S	.	.	H	α-helix	trans	-50.5	-51.4	178.3	171.9	0	0	0	0	111.8	E90 K93 V94 L97 S263 Y264 R269 E270 L271	E90-V267 HydrophobicContact CB-CG1 4.06Å; E90-V267 HydrophobicContact CG-CG1 3.52Å; K93-V267 HydrophobicContact CB-CG1 4.25Å; K93-V267 HydrophobicContact CB-CG2 3.68Å; K93-V267 HydrophobicContact CD-CG2 4.01Å; K93-V267 HydrophobicContact CG-CG2 4.46Å; V94-V267 HydrophobicContact CG2-CG1 4.22Å; L97-V267 HydrophobicContact CD1-CG2 4.38Å; S263-V267 WeakPolarHBondContact O-CG2 3.32Å; S263-V267 PolarHBondContact O-N 2.93Å; Y264-V267 PolarHBondContact O-N 3.17Å; V267-R269 PolarHBondContact O-N 3.19Å; V267-E270 PolarHBondContact O-N 3.5Å; V267-L271 PolarHBondContact O-N 3.14Å
268	Y	98.1	Very high	97.1	Very high	86 Å²	86	79.3 Å²	79.3	34%	0.337	41%	0.412	S	S	.	.	H	α-helix	trans	-70.8	-28.7	-178.9	-66.4	-70.7	0	0	0	113.6	E90 Y264 H266 L271 E272	E90-Y268 HydrophobicContact CG-CD1 4.4Å; E90-Y268 HydrophobicContact CG-CE1 3.85Å; E90-Y268 WeakPolarHBondContact OE1-CE1 3.43Å; E90-Y268 PolarHBondContact OE1-OH 2.86Å; Y264-Y268 HydrophobicContact CD1-CE2 4.24Å; Y264-Y268 HydrophobicContact CD2-CE2 4.27Å; Y264-Y268 HydrophobicContact CE1-CD2 4.44Å; Y264-Y268 AromaticContact CE1-CE2 3.79Å; Y264-Y268 HydrophobicContact CE1-CE2 3.79Å; Y264-Y268 AromaticContact CE2-CE2 3.84Å; Y264-Y268 HydrophobicContact CE2-CE2 3.84Å; Y264-Y268 HydrophobicContact CG-CE2 4.46Å; Y264-Y268 AromaticContact CZ-CE2 3.58Å; Y264-Y268 VanDerWaalsContact O-CD2 3.28Å; Y264-Y268 WeakPolarHBondContact O-CD2 3.39Å; H266-Y268 VanDerWaalsContact C-N 3.34Å; H266-Y268 PolarHBondContact O-N 3.25Å; Y268-L271 HydrophobicContact CD1-CD2 4.42Å; Y268-E272 WeakPolarHBondContact O-CB 3.3Å; Y268-E272 PolarHBondContact O-N 3.05Å
269	R	98.2	Very high	97.2	Very high	164 Å²	164	81.4 Å²	81.4	62%	0.619	42%	0.423	S	S	*	.	H	α-helix	trans	-69.3	-41.5	173.4	-70.6	176.1	179.7	173.8	2.7	112	I265 H266 V267 E272 Q273	I265-R269 WeakPolarHBondContact O-CG 3.49Å; I265-R269 PolarHBondContact O-N 3.47Å; H266-R269 WeakPolarHBondContact O-CB 3.33Å; H266-R269 PolarHBondContact O-N 3.31Å; V267-R269 PolarHBondContact O-N 3.19Å; R269-E272 PolarHBondContact O-N 2.82Å; R269-Q273 WeakPolarHBondContact O-CB 3.42Å; R269-Q273 PolarHBondContact O-N 3Å
270	E	98.4	Very high	97.3	Very high	66 Å²	66	80.8 Å²	80.8	31%	0.308	42%	0.419	S	S	.	.	H	α-helix	trans	-65.3	-40.5	174.7	-70	179.3	92.3	0	0	111.4	K93 H266 V267 Q273 A274	K93-E270 IonicContact NZ-OE1 3.16Å; K93-E270 PolarHBondContact NZ-OE1 2.9Å; K93-E270 IonicContact NZ-OE2 3.82Å; K93-E270 PolarHBondContact NZ-OE2 3.42Å; H266-E270 IonicContact CD2-OE2 3.8Å; H266-E270 PolarHBondContact CD2-OE2 3.48Å; H266-E270 IonicContact CG-OE2 3.68Å; H266-E270 IonicContact NE2-OE1 2.69Å; H266-E270 IonicContact NE2-OE2 2.77Å; H266-E270 PolarHBondContact O-N 2.97Å; V267-E270 PolarHBondContact O-N 3.5Å; E270-Q273 PolarHBondContact O-N 3.39Å; E270-A274 WeakPolarHBondContact O-CB 3.45Å; E270-A274 PolarHBondContact O-N 3.36Å
271	L	98.7	Very high	97.6	Very high	27 Å²	27	80.5 Å²	80.5	14%	0.141	42%	0.417	C	S	.	.	H	α-helix	trans	-60.2	-49.3	174.1	178.1	60.9	0	0	0	111.5	A86 I87 E90 V267 Y268 Q273 A274 I275	A86-L271 HydrophobicContact CB-CD1 3.89Å; I87-L271 HydrophobicContact CG1-CD1 4.11Å; E90-L271 HydrophobicContact CB-CD2 4.03Å; E90-L271 HydrophobicContact CG-CD2 4.02Å; V267-L271 PolarHBondContact O-N 3.14Å; Y268-L271 HydrophobicContact CD1-CD2 4.42Å; L271-Q273 VanDerWaalsContact C-N 3.32Å; L271-Q273 PolarHBondContact O-N 3.25Å; L271-A274 PolarHBondContact O-N 3.04Å; L271-I275 HydrophobicContact CD1-CD1 3.83Å; L271-I275 HydrophobicContact CD1-CG1 4.26Å; L271-I275 HydrophobicContact CG-CD1 3.9Å; L271-I275 WeakPolarHBondContact O-CG1 3.23Å; L271-I275 PolarHBondContact O-N 3.06Å
272	E	98.7	Very high	97.8	Very high	94 Å²	94	83 Å²	83	44%	0.439	43%	0.428	S	S	.	.	H	α-helix	trans	-58.8	-43.8	176.5	-174.5	-175.8	178.5	0	0	111.5	Y268 R269 A274 I275 R276	Y268-E272 WeakPolarHBondContact O-CB 3.3Å; Y268-E272 PolarHBondContact O-N 3.05Å; R269-E272 PolarHBondContact O-N 2.82Å; E272-A274 PolarHBondContact O-N 3.15Å; E272-I275 PolarHBondContact O-N 3.05Å; E272-R276 HydrophobicContact CG-CG 4.38Å; E272-R276 WeakPolarHBondContact O-CB 3.4Å; E272-R276 WeakPolarHBondContact O-CG 3.3Å; E272-R276 PolarHBondContact O-N 3Å; E272-R276 IonicContact OE1-CZ 3.78Å; E272-R276 IonicContact OE1-NE 2.64Å; E272-R276 PolarHBondContact OE1-NE 3.22Å; E272-R276 IonicContact OE1-NH2 2.71Å; E272-R276 PolarHBondContact OE1-NH2 2.73Å
273	Q	98.5	Very high	98	Very high	147 Å²	147	79.5 Å²	79.5	69%	0.687	40%	0.402	S	S	*	.	H	α-helix	trans	-62.4	-41.7	177.8	-176.8	177.6	-8.1	0	0	112.1	R269 E270 L271 G277	R269-Q273 WeakPolarHBondContact O-CB 3.42Å; R269-Q273 PolarHBondContact O-N 3Å; E270-Q273 PolarHBondContact O-N 3.39Å; L271-Q273 VanDerWaalsContact C-N 3.32Å; L271-Q273 PolarHBondContact O-N 3.25Å; Q273-G277 PolarHBondContact O-N 2.65Å; Q273-G277 VanDerWaalsContact O-N 3.07Å
274	A	98.3	Very high	98.2	Very high	37 Å²	37	81.6 Å²	81.6	31%	0.306	41%	0.407	S	S	.	.	H	α-helix	trans	-65.5	-41.6	177.6	0	0	0	0	0	112.1	A86 E270 L271 E272 G277	A86-A274 HydrophobicContact CB-CB 3.45Å; A86-A274 VanDerWaalsContact CB-CB 3.45Å; E270-A274 WeakPolarHBondContact O-CB 3.45Å; E270-A274 PolarHBondContact O-N 3.36Å; L271-A274 PolarHBondContact O-N 3.04Å; E272-A274 PolarHBondContact O-N 3.15Å; A274-G277 PolarHBondContact O-N 3.14Å
275	I	98.6	Very high	98.3	Very high	87 Å²	87	85.5 Å²	85.5	45%	0.446	42%	0.422	S	S	.	.	H	α-helix	trans	-66.1	-45.6	177.1	-66.9	167.7	0	0	0	111.1	L271 E272 G277 A278	L271-I275 HydrophobicContact CD1-CD1 3.83Å; L271-I275 HydrophobicContact CD1-CG1 4.26Å; L271-I275 HydrophobicContact CG-CD1 3.9Å; L271-I275 WeakPolarHBondContact O-CG1 3.23Å; L271-I275 PolarHBondContact O-N 3.06Å; E272-I275 PolarHBondContact O-N 3.05Å; I275-G277 PolarHBondContact O-N 2.83Å; I275-A278 PolarHBondContact O-N 2.76Å
276	R	98.4	Very high	98.4	Very high	189 Å²	189	87.7 Å²	87.7	71%	0.713	43%	0.425	S	S	*	.	H	α-helix	trans	-64.4	-17.5	174.8	-71.6	179.3	-178.8	-84.7	3.4	113.5	E272 A278	E272-R276 HydrophobicContact CG-CG 4.38Å; E272-R276 WeakPolarHBondContact O-CB 3.4Å; E272-R276 WeakPolarHBondContact O-CG 3.3Å; E272-R276 PolarHBondContact O-N 3Å; E272-R276 IonicContact OE1-CZ 3.78Å; E272-R276 IonicContact OE1-NE 2.64Å; E272-R276 PolarHBondContact OE1-NE 3.22Å; E272-R276 IonicContact OE1-NH2 2.71Å; E272-R276 PolarHBondContact OE1-NH2 2.73Å; R276-A278 VanDerWaalsContact C-N 3.32Å
277	G	98.1	Very high	98.4	Very high	47 Å²	47	87 Å²	87	49%	0.485	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-1.4	176.1	0	0	0	0	0	115.1	Q273 A274 I275	Q273-G277 PolarHBondContact O-N 2.65Å; Q273-G277 VanDerWaalsContact O-N 3.07Å; A274-G277 PolarHBondContact O-N 3.14Å; I275-G277 PolarHBondContact O-N 2.83Å
278	A	98.4	Very high	98.4	Very high	39 Å²	39	94.3 Å²	94.3	32%	0.322	45%	0.447	S	S	.	.			trans	-74	123.5	172.9	0	0	0	0	0	111.3	A83 I275 R276	A83-A278 HydrophobicContact CB-CB 4.04Å; I275-A278 PolarHBondContact O-N 2.76Å; R276-A278 VanDerWaalsContact C-N 3.32Å
279	D	98.5	Very high	98.4	Very high	63 Å²	63	93.1 Å²	93.1	34%	0.337	45%	0.452	S	S	.	.			trans	-120.6	102.7	177.8	179.8	1.2	0	0	0	110.5	S79 Q281 E282 D283 R285	S79-D279 PolarHBondContact OG-N 3.47Å; S79-D279 PolarHBondContact OG-O 3.02Å; D279-Q281 PolarHBondContact O-N 3.35Å; D279-Q281 WeakPolarHBondContact OD1-CA 3.48Å; D279-Q281 WeakPolarHBondContact OD1-CB 3.46Å; D279-Q281 PolarHBondContact OD1-N 2.81Å; D279-E282 HydrophobicContact CB-CB 3.82Å; D279-E282 VanDerWaalsContact CG-N 3.32Å; D279-E282 WeakPolarHBondContact O-CB 3.42Å; D279-E282 PolarHBondContact O-N 3.1Å; D279-E282 VanDerWaalsContact O-N 3.14Å; D279-E282 PolarHBondContact OD1-N 3.19Å; D279-E282 PolarHBondContact OD2-N 3.49Å; D279-D283 PolarHBondContact O-N 3.16Å; D279-R285 IonicContact OD2-NH2 2.71Å
280	A	98.5	Very high	98.3	Very high	65 Å²	65	88 Å²	88	54%	0.537	44%	0.438	S	S	.	.	H	α-helix	trans	-60.7	-28.2	176	0	0	0	0	0	113.2	L284	A280-L284 VanDerWaalsContact O-CB 3.26Å; A280-L284 WeakPolarHBondContact O-CB 3.47Å; A280-L284 WeakPolarHBondContact O-CD1 3.34Å; A280-L284 WeakPolarHBondContact O-CG 3.36Å; A280-L284 PolarHBondContact O-N 3.34Å
281	Q	98.6	Very high	98.2	Very high	123 Å²	123	88 Å²	88	58%	0.575	45%	0.446	S	S	*	.	H	α-helix	trans	-77.9	-31.6	176.6	-62.9	-62.4	-35.6	0	0	111.8	D279 R285	D279-Q281 PolarHBondContact O-N 3.35Å; D279-Q281 WeakPolarHBondContact OD1-CA 3.48Å; D279-Q281 WeakPolarHBondContact OD1-CB 3.46Å; D279-Q281 PolarHBondContact OD1-N 2.81Å; Q281-R285 VanDerWaalsContact O-CB 3.28Å; Q281-R285 WeakPolarHBondContact O-CB 3.46Å; Q281-R285 WeakPolarHBondContact O-CG 3.36Å; Q281-R285 PolarHBondContact O-N 2.97Å; Q281-R285 VanDerWaalsContact O-N 3.16Å; Q281-R285 PolarHBondContact O-NE 3.37Å
282	E	98.2	Very high	98.1	Very high	91 Å²	91	87.6 Å²	87.6	43%	0.425	45%	0.449	S	S	.	.	H	α-helix	trans	-60.6	-54.3	166.5	-173.4	176.3	-152.8	0	0	110.5	R82 D279 L284 R285 W286	R82-E282 IonicContact NH2-OE2 3.13Å; D279-E282 HydrophobicContact CB-CB 3.82Å; D279-E282 VanDerWaalsContact CG-N 3.32Å; D279-E282 WeakPolarHBondContact O-CB 3.42Å; D279-E282 PolarHBondContact O-N 3.1Å; D279-E282 VanDerWaalsContact O-N 3.14Å; D279-E282 PolarHBondContact OD1-N 3.19Å; D279-E282 PolarHBondContact OD2-N 3.49Å; E282-L284 PolarHBondContact O-N 3.14Å; E282-R285 PolarHBondContact O-N 3.02Å; E282-W286 PolarHBondContact O-N 3.46Å
283	D	98.5	Very high	98	Very high	20 Å²	20	89 Å²	89	11%	0.107	47%	0.466	C	S	.	.	H	α-helix	trans	-63.4	-41.7	-175.4	-69.6	-9.8	0	0	0	112.5	G78 S79 L80 D279 W286 F287	G78-D283 WeakPolarHBondContact CA-OD1 3.47Å; S79-D283 WeakPolarHBondContact CB-OD1 3.22Å; S79-D283 VanDerWaalsContact N-CG 3.34Å; S79-D283 PolarHBondContact N-OD1 3.48Å; S79-D283 PolarHBondContact N-OD2 3.33Å; S79-D283 VanDerWaalsContact N-OD2 3.11Å; S79-D283 PolarHBondContact OG-OD1 3.21Å; S79-D283 PolarHBondContact OG-OD2 2.89Å; L80-D283 PolarHBondContact N-OD2 3.04Å; L80-D283 VanDerWaalsContact N-OD2 3.17Å; D279-D283 PolarHBondContact O-N 3.16Å; D283-W286 PolarHBondContact O-N 3.32Å; D283-F287 PolarHBondContact O-N 3.04Å
284	L	98.5	Very high	98	Very high	107 Å²	107	84.1 Å²	84.1	56%	0.56	46%	0.455	S	S	*	.	H	α-helix	trans	-67.6	-36.2	175.4	-72.3	171.8	0	0	0	112.9	A280 E282 R288	A280-L284 VanDerWaalsContact O-CB 3.26Å; A280-L284 WeakPolarHBondContact O-CB 3.47Å; A280-L284 WeakPolarHBondContact O-CD1 3.34Å; A280-L284 WeakPolarHBondContact O-CG 3.36Å; A280-L284 PolarHBondContact O-N 3.34Å; E282-L284 PolarHBondContact O-N 3.14Å; L284-R288 WeakPolarHBondContact O-CB 3.49Å; L284-R288 PolarHBondContact O-N 3.02Å
285	R	98.4	Very high	97.9	Very high	154 Å²	154	87.1 Å²	87.1	58%	0.581	46%	0.464	S	S	*	.	H	α-helix	trans	-65.7	-43.1	174.4	-80.3	177.9	-67.1	158.7	-1.6	111.1	D279 Q281 E282 R288 S289	D279-R285 IonicContact OD2-NH2 2.71Å; Q281-R285 VanDerWaalsContact O-CB 3.28Å; Q281-R285 WeakPolarHBondContact O-CB 3.46Å; Q281-R285 WeakPolarHBondContact O-CG 3.36Å; Q281-R285 PolarHBondContact O-N 2.97Å; Q281-R285 VanDerWaalsContact O-N 3.16Å; Q281-R285 PolarHBondContact O-NE 3.37Å; E282-R285 PolarHBondContact O-N 3.02Å; R285-R288 PolarHBondContact O-N 3.04Å; R285-S289 PolarHBondContact O-N 3.38Å; R285-S289 VanDerWaalsContact O-N 3.16Å; R285-S289 PolarHBondContact O-OG 3.38Å
286	W	98.3	Very high	97.8	Very high	123 Å²	123	88.9 Å²	88.9	47%	0.466	48%	0.481	S	S	.	.	H	α-helix	trans	-60.5	-47.6	175.2	176.4	89.8	0	0	0	111.4	Y77 E282 D283 R288 S289 T290	Y77-W286 HydrophobicContact CD1-CZ3 4.33Å; Y77-W286 AromaticContact CD2-CE3 3.79Å; Y77-W286 HydrophobicContact CD2-CE3 3.79Å; Y77-W286 HydrophobicContact CD2-CH2 4.21Å; Y77-W286 AromaticContact CD2-CZ3 3.39Å; Y77-W286 HydrophobicContact CD2-CZ3 3.39Å; Y77-W286 HydrophobicContact CE1-CZ3 4.37Å; Y77-W286 AromaticContact CE2-CE3 3.77Å; Y77-W286 HydrophobicContact CE2-CE3 3.77Å; Y77-W286 AromaticContact CE2-CZ3 3.45Å; Y77-W286 HydrophobicContact CE2-CZ3 3.45Å; Y77-W286 VanDerWaalsContact CE2-CZ3 3.45Å; Y77-W286 HydrophobicContact CG-CH2 4.3Å; Y77-W286 AromaticContact CG-CZ3 3.87Å; Y77-W286 HydrophobicContact CG-CZ3 3.87Å; Y77-W286 AromaticContact CZ-CZ3 3.97Å; E282-W286 PolarHBondContact O-N 3.46Å; D283-W286 PolarHBondContact O-N 3.32Å; W286-R288 PolarHBondContact O-N 3.32Å; W286-S289 PolarHBondContact O-N 3.49Å; W286-S289 PolarHBondContact O-OG 3.45Å; W286-T290 HydrophobicContact CD2-CG2 4.27Å; W286-T290 HydrophobicContact CG-CG2 4.43Å; W286-T290 HydrophobicContact CZ2-CG2 4.24Å; W286-T290 WeakPolarHBondContact O-CG2 3.47Å; W286-T290 PolarHBondContact O-N 3.28Å; W286-T290 PolarHBondContact O-OG1 3.4Å
287	F	98.3	Very high	97.6	Very high	88 Å²	88	84.7 Å²	84.7	39%	0.386	47%	0.471	S	S	.	.	H	α-helix	trans	-64.8	-39.7	179.4	-171.4	-103.9	0	0	0	112.2	Y77 D283 S289 S291 G292	Y77-F287 HydrophobicContact CE2-CD2 4.37Å; Y77-F287 AromaticContact CZ-CD2 3.82Å; Y77-F287 WeakPolarHBondContact OH-CD2 3.28Å; D283-F287 PolarHBondContact O-N 3.04Å; F287-S289 VanDerWaalsContact C-N 3.31Å; F287-S289 PolarHBondContact O-N 3.46Å; F287-S291 CarbonylContact O-C 3.57Å; F287-S291 WeakPolarHBondContact O-CA 3.42Å; F287-S291 WeakPolarHBondContact O-CB 3.44Å; F287-S291 PolarHBondContact O-N 2.88Å; F287-G292 PolarHBondContact O-N 2.96Å
288	R	98	Very high	97.5	Very high	164 Å²	164	89.9 Å²	89.9	62%	0.619	49%	0.488	S	S	*	.	H	α-helix	trans	-60.7	-37.4	176.8	-178.3	178.8	176.2	-176.2	-0	112.7	L284 R285 W286 G292 G294	L284-R288 WeakPolarHBondContact O-CB 3.49Å; L284-R288 PolarHBondContact O-N 3.02Å; R285-R288 PolarHBondContact O-N 3.04Å; W286-R288 PolarHBondContact O-N 3.32Å; R288-G292 CarbonylContact O-C 3.17Å; R288-G292 WeakPolarHBondContact O-CA 3.1Å; R288-G292 PolarHBondContact O-N 3.48Å; R288-G294 WeakPolarHBondContact O-CA 3.48Å; R288-G294 PolarHBondContact O-N 3.48Å
289	S	97.7	Very high	97.3	Very high	61 Å²	61	96.9 Å²	96.9	43%	0.427	51%	0.506	S	S	.	.	H	α-helix	trans	-82.8	-33.3	-178.5	62	0	0	0	0	113.6	R285 W286 F287 M295	R285-S289 PolarHBondContact O-N 3.38Å; R285-S289 VanDerWaalsContact O-N 3.16Å; R285-S289 PolarHBondContact O-OG 3.38Å; W286-S289 PolarHBondContact O-N 3.49Å; W286-S289 PolarHBondContact O-OG 3.45Å; F287-S289 VanDerWaalsContact C-N 3.31Å; F287-S289 PolarHBondContact O-N 3.46Å; S289-M295 WeakPolarHBondContact O-CG 3.33Å
290	T	97	Very high	97	Very high	55 Å²	55	99.4 Å²	99.4	34%	0.337	53%	0.526	S	S	.	.	H	α-helix	trans	-91	-26.9	-177	61.5	0	0	0	0	114.4	W286 M295	W286-T290 HydrophobicContact CD2-CG2 4.27Å; W286-T290 HydrophobicContact CG-CG2 4.43Å; W286-T290 HydrophobicContact CZ2-CG2 4.24Å; W286-T290 WeakPolarHBondContact O-CG2 3.47Å; W286-T290 PolarHBondContact O-N 3.28Å; W286-T290 PolarHBondContact O-OG1 3.4Å; T290-M295 WeakPolarHBondContact O-CE 3.45Å
291	S	96.6	Very high	96.7	Very high	66 Å²	66	104.4 Å²	104.4	46%	0.462	54%	0.538	S	S	.	.	H	α-helix	trans	-139.6	4.7	-167.4	-53.9	0	0	0	0	113.7	F287	F287-S291 CarbonylContact O-C 3.57Å; F287-S291 WeakPolarHBondContact O-CA 3.42Å; F287-S291 WeakPolarHBondContact O-CB 3.44Å; F287-S291 PolarHBondContact O-N 2.88Å
292	G	95.9	Very high	96.3	Very high	20 Å²	20	107 Å²	107	21%	0.206	55%	0.548	C	S	.	.	S	Bend	trans	-135.9	-160.4	-173.5	0	0	0	0	0	113.9	F287 R288 G294 M295	F287-G292 PolarHBondContact O-N 2.96Å; R288-G292 CarbonylContact O-C 3.17Å; R288-G292 WeakPolarHBondContact O-CA 3.1Å; R288-G292 PolarHBondContact O-N 3.48Å; G292-G294 PolarHBondContact O-N 3.44Å; G292-M295 WeakPolarHBondContact O-CB 3.28Å; G292-M295 WeakPolarHBondContact O-CG 3.49Å; G292-M295 PolarHBondContact O-N 3.1Å
293	P	97.7	Very high	95.8	Very high	123 Å²	123	110.9 Å²	110.9	80%	0.799	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-1.6	-175.6	-25.2	35.1	0	0	0	116.6
294	G	96.6	Very high	95.2	Very high	45 Å²	45	117.7 Å²	117.7	46%	0.464	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.1	-6.7	171.4	0	0	0	0	0	114.2	R288 G292	R288-G294 WeakPolarHBondContact O-CA 3.48Å; R288-G294 PolarHBondContact O-N 3.48Å; G292-G294 PolarHBondContact O-N 3.44Å
295	M	97.4	Very high	94.2	Very high	100 Å²	100	121.5 Å²	121.5	49%	0.493	60%	0.604	S	S	.	*	S	Bend	trans	-66.1	144.6	173.8	-67	-177.5	81.1	0	0	111.2	S289 T290 G292 M297	S289-M295 WeakPolarHBondContact O-CG 3.33Å; T290-M295 WeakPolarHBondContact O-CE 3.45Å; G292-M295 WeakPolarHBondContact O-CB 3.28Å; G292-M295 WeakPolarHBondContact O-CG 3.49Å; G292-M295 PolarHBondContact O-N 3.1Å; M295-M297 PolarHBondContact O-N 3.5Å
296	P	95.4	Very high	93.2	Very high	124 Å²	124	117.6 Å²	117.6	81%	0.805	59%	0.594	S	S	*	*			trans	-65.3	135.3	172.4	28.5	-34.1	0	0	0	110.4
297	M	95.6	Very high	91.9	Very high	101 Å²	101	115.6 Å²	115.6	50%	0.498	60%	0.597	S	S	.	*			trans	-123.5	122.1	175.6	178.3	56.7	-172.4	0	0	110.3	M295 W299	M295-M297 PolarHBondContact O-N 3.5Å; M297-W299 VanDerWaalsContact C-N 3.27Å; M297-W299 HydrophobicContact CB-CD2 4.31Å; M297-W299 HydrophobicContact CB-CZ2 4.03Å; M297-W299 HydrophobicContact CE-CE3 4.15Å; M297-W299 HydrophobicContact CE-CZ3 4.4Å; M297-W299 HydrophobicContact CG-CD2 3.53Å; M297-W299 VanDerWaalsContact CG-CE2 3.47Å; M297-W299 HydrophobicContact CG-CE3 3.82Å; M297-W299 HydrophobicContact CG-CG 4.03Å; M297-W299 HydrophobicContact CG-CH2 4.01Å; M297-W299 HydrophobicContact CG-CZ2 3.73Å; M297-W299 HydrophobicContact CG-CZ3 4.05Å; M297-W299 PolarHBondContact O-N 3.32Å
298	N	94.8	Very high	90.4	Very high	156 Å²	156	118.3 Å²	118.3	83%	0.834	62%	0.616	S	S	*	*			trans	-79.7	81.4	169.4	-65.4	-19.4	0	0	0	107.9
299	W	94.1	Very high	88.7	Confident	186 Å²	186	115.7 Å²	115.7	71%	0.705	61%	0.614	S	S	*	*			trans	-57.7	141.4	177.5	-65.1	107.1	0	0	0	110.7	M297 Q301	M297-W299 VanDerWaalsContact C-N 3.27Å; M297-W299 HydrophobicContact CB-CD2 4.31Å; M297-W299 HydrophobicContact CB-CZ2 4.03Å; M297-W299 HydrophobicContact CE-CE3 4.15Å; M297-W299 HydrophobicContact CE-CZ3 4.4Å; M297-W299 HydrophobicContact CG-CD2 3.53Å; M297-W299 VanDerWaalsContact CG-CE2 3.47Å; M297-W299 HydrophobicContact CG-CE3 3.82Å; M297-W299 HydrophobicContact CG-CG 4.03Å; M297-W299 HydrophobicContact CG-CH2 4.01Å; M297-W299 HydrophobicContact CG-CZ2 3.73Å; M297-W299 HydrophobicContact CG-CZ3 4.05Å; M297-W299 PolarHBondContact O-N 3.32Å; W299-Q301 PolarHBondContact O-N 3.31Å
300	P	93.9	Very high	86.8	Confident	116 Å²	116	117.9 Å²	117.9	75%	0.753	63%	0.627	S	S	*	*			trans	-54.1	124.1	178.7	-26.9	35	0	0	0	111.6
301	Q	91.9	Very high	85	Confident	169 Å²	169	121.1 Å²	121.1	79%	0.79	64%	0.637	S	S	*	*			trans	-112.7	172.2	171.4	-64.5	-168.8	-11.2	0	0	109.1	W299 E303	W299-Q301 PolarHBondContact O-N 3.31Å; Q301-E303 PolarHBondContact O-N 3.49Å
302	F	89.1	Confident	82.5	Confident	179 Å²	179	123.3 Å²	123.3	79%	0.785	65%	0.648	S	S	*	*			trans	-68.6	115.8	173.9	177.7	-103.5	0	0	0	109.6	E304	F302-E304 HydrophobicContact CD1-CG 4.24Å; F302-E304 HydrophobicContact CE1-CG 3.65Å
303	E	88.4	Confident	80.2	Confident	171 Å²	171	128.6 Å²	128.6	80%	0.799	68%	0.677	S	S	*	*			trans	-93.6	118.4	174	-68.5	176.1	-160	0	0	109	Q301 W305	Q301-E303 PolarHBondContact O-N 3.49Å; E303-W305 PolarHBondContact O-N 3.37Å
304	E	85.2	Confident	77.6	Confident	164 Å²	164	128.9 Å²	128.9	77%	0.766	68%	0.676	S	S	*	*			trans	-67.3	131.1	174.2	-81	-174	169.7	0	0	110.7	F302 N306	F302-E304 HydrophobicContact CD1-CG 4.24Å; F302-E304 HydrophobicContact CE1-CG 3.65Å; E304-N306 PolarHBondContact O-N 2.88Å
305	W	78.1	Confident	75	Confident	187 Å²	187	135.9 Å²	135.9	71%	0.708	69%	0.694	S	S	*	*			trans	-68.9	103.3	175.9	-179.3	79	0	0	0	110.1	E303 P307 H311	E303-W305 PolarHBondContact O-N 3.37Å; W305-P307 HydrophobicContact CH2-CB 3.74Å; W305-P307 HydrophobicContact CH2-CG 4.49Å; W305-P307 HydrophobicContact CZ2-CB 4.31Å; W305-P307 HydrophobicContact CZ3-CB 3.94Å; W305-P307 HydrophobicContact CZ3-CG 4.21Å; W305-H311 AromaticContact CD1-CE1 3.87Å; W305-H311 AromaticContact CD1-NE2 3.84Å; W305-H311 AromaticContact CE2-NE2 3.51Å; W305-H311 AromaticContact CZ2-NE2 3.72Å; W305-H311 AromaticContact NE1-CE1 3.25Å; W305-H311 PolarHBondContact NE1-CE1 3.22Å; W305-H311 AromaticContact NE1-NE2 2.84Å; W305-H311 PolarHBondContact NE1-NE2 3.25Å
306	N	77.9	Confident	72.6	Confident	71 Å²	71	141.3 Å²	141.3	38%	0.38	72%	0.715	S	S	.	*			trans	-96.9	116.4	176.3	-175.4	-9.2	0	0	0	110.4	E304 D308 L309	E304-N306 PolarHBondContact O-N 2.88Å; N306-D308 PolarHBondContact O-N 2.63Å; N306-D308 PolarHBondContact OD1-N 3.17Å; N306-L309 HydrophobicContact CB-CB 4.46Å; N306-L309 HydrophobicContact CB-CD1 4.01Å; N306-L309 HydrophobicContact CB-CG 4.14Å; N306-L309 PolarHBondContact O-N 2.76Å
307	P	69.5	Low	69.9	Low	82 Å²	82	144.1 Å²	144.1	53%	0.532	72%	0.717	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.6	-20	179	26.6	-34.5	0	0	0	114.2	W305	W305-P307 HydrophobicContact CH2-CB 3.74Å; W305-P307 HydrophobicContact CH2-CG 4.49Å; W305-P307 HydrophobicContact CZ2-CB 4.31Å; W305-P307 HydrophobicContact CZ3-CB 3.94Å; W305-P307 HydrophobicContact CZ3-CG 4.21Å
308	D	68.6	Low	67.4	Low	144 Å²	144	149.3 Å²	149.3	77%	0.77	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-6.3	179.4	-63.6	-40	0	0	0	113.1	N306	N306-D308 PolarHBondContact O-N 2.63Å; N306-D308 PolarHBondContact OD1-N 3.17Å
309	L	62.2	Low	64.6	Low	110 Å²	110	150.9 Å²	150.9	58%	0.576	74%	0.739	S	S	*	*	S	Bend	trans	-86.5	117.3	169.5	-75.3	176	0	0	0	109.9	N306 H311	N306-L309 HydrophobicContact CB-CB 4.46Å; N306-L309 HydrophobicContact CB-CD1 4.01Å; N306-L309 HydrophobicContact CB-CG 4.14Å; N306-L309 PolarHBondContact O-N 2.76Å; L309-H311 PolarHBondContact O-N 3.11Å; L309-H311 VanDerWaalsContact O-N 3.09Å; L309-H311 PolarHBondContact O-ND1 3.04Å; L309-H311 VanDerWaalsContact O-ND1 3.16Å
310	P	57.1	Low	61.6	Low	107 Å²	107	147.2 Å²	147.2	70%	0.695	74%	0.742	S	S	*	*			trans	-61	119.4	-178.1	24.4	-33.3	0	0	0	110.4	T312	P310-T312 PolarHBondContact O-N 3.48Å
311	H	58.6	Low	59.2	Low	122 Å²	122	151.6 Å²	151.6	57%	0.565	75%	0.749	S	S	*	*			trans	-72	67	178.5	-63.5	-13.8	0	0	0	112.3	W305 L309 T313	W305-H311 AromaticContact CD1-CE1 3.87Å; W305-H311 AromaticContact CD1-NE2 3.84Å; W305-H311 AromaticContact CE2-NE2 3.51Å; W305-H311 AromaticContact CZ2-NE2 3.72Å; W305-H311 AromaticContact NE1-CE1 3.25Å; W305-H311 PolarHBondContact NE1-CE1 3.22Å; W305-H311 AromaticContact NE1-NE2 2.84Å; W305-H311 PolarHBondContact NE1-NE2 3.25Å; L309-H311 PolarHBondContact O-N 3.11Å; L309-H311 VanDerWaalsContact O-N 3.09Å; L309-H311 PolarHBondContact O-ND1 3.04Å; L309-H311 VanDerWaalsContact O-ND1 3.16Å; H311-T313 VanDerWaalsContact C-N 3.29Å; H311-T313 PolarHBondContact O-N 3.38Å
312	T	43.8	Very low	56.4	Low	112 Å²	112	153.6 Å²	153.6	69%	0.687	76%	0.755	S	S	*	*			trans	-71.1	91.1	160.2	52.2	0	0	0	0	108.2	P310 T314	P310-T312 PolarHBondContact O-N 3.48Å; T312-T314 PolarHBondContact O-N 2.92Å
313	T	47.9	Very low	54.2	Low	131 Å²	131	149.6 Å²	149.6	80%	0.804	76%	0.756	S	S	*	*			trans	-54.3	105.8	157.9	47.6	0	0	0	0	107.4	H311 K315	H311-T313 VanDerWaalsContact C-N 3.29Å; H311-T313 PolarHBondContact O-N 3.38Å; T313-K315 PolarHBondContact O-N 3.41Å
314	T	43	Very low	51.5	Low	130 Å²	130	150.7 Å²	150.7	80%	0.798	76%	0.761	S	S	*	*			trans	-71.3	80.1	-179.7	38	0	0	0	0	110	T312 K316	T312-T314 PolarHBondContact O-N 2.92Å; T314-K316 PolarHBondContact O-N 3Å
315	K	41.6	Very low	49	Very low	191 Å²	191	146.3 Å²	146.3	83%	0.83	76%	0.759	S	S	*	*			trans	-43.2	126.1	147.8	-121.3	-179.1	-177.3	176.4	0	106.6	T313 E317	T313-K315 PolarHBondContact O-N 3.41Å; K315-E317 PolarHBondContact O-N 3.35Å
316	K	48.3	Very low	46.8	Very low	214 Å²	214	144.6 Å²	144.6	93%	0.93	77%	0.769	S	S	*	*			trans	-43.3	90.5	-176.5	-132	178.4	-173.8	177.2	0	112.1	T314	T314-K316 PolarHBondContact O-N 3Å
317	E	37.7	Very low	44.6	Very low	183 Å²	183	145 Å²	145	86%	0.855	78%	0.783	S	S	*	*			trans	-79.9	129.5	168.6	-91.1	-163.7	146.4	0	0	108.9	K315 Q319	K315-E317 PolarHBondContact O-N 3.35Å; E317-Q319 VanDerWaalsContact C-N 3.31Å; E317-Q319 PolarHBondContact O-N 3.35Å
318	K	44.7	Very low	42.8	Very low	210 Å²	210	149.4 Å²	149.4	91%	0.913	80%	0.8	S	S	*	*			trans	-82	78	-171	-166.8	-179.5	-175.8	-176.5	0	108.6	S320	K318-S320 PolarHBondContact O-N 2.96Å; K318-S320 VanDerWaalsContact O-N 3.1Å
319	Q	35	Very low	40.9	Very low	189 Å²	189	148.2 Å²	148.2	88%	0.883	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-55.4	117.9	177	-93.4	-174.6	-7.2	0	0	110.6	E317	E317-Q319 VanDerWaalsContact C-N 3.31Å; E317-Q319 PolarHBondContact O-N 3.35Å
320	S	31.6	Very low	39.3	Very low	109 Å²	109	150.1 Å²	150.1	76%	0.762	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-70.8	132.1	173.9	53.6	0	0	0	0	110.4	K318 K322	K318-S320 PolarHBondContact O-N 2.96Å; K318-S320 VanDerWaalsContact O-N 3.1Å; S320-K322 PolarHBondContact O-N 3.07Å
321	K	43.7	Very low	38	Very low	208 Å²	208	149 Å²	149	90%	0.904	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-58.8	126.3	165.3	-73.2	-174.9	173.7	-173.7	0	110
322	K	32.3	Very low	36.6	Very low	212 Å²	212	150.1 Å²	150.1	92%	0.922	83%	0.825	S	S	*	*			trans	-142.4	152	147.2	-116	-176.3	-179.7	-174.3	0	109.9	S320	S320-K322 PolarHBondContact O-N 3.07Å
323	A	42.9	Very low	35.8	Very low	95 Å²	95	148.3 Å²	148.3	79%	0.785	83%	0.828	S	S	*	*			trans	-95.5	150.2	-164.6	0	0	0	0	0	112.6
324	E	32.4	Very low	34.8	Very low	194 Å²	194	146.6 Å²	146.6	91%	0.907	83%	0.828	S	S	*	*			trans	-128.3	130.5	150.1	-67.5	-175.2	156	0	0	105.9
325	G	31.1	Very low	34.1	Very low	71 Å²	71	146 Å²	146	73%	0.732	82%	0.824	S	S	*	*			cis	92.3	75.9	13.5	0	0	0	0	0	110.1	A327	G325-A327 PolarHBondContact O-N 3.2Å
326	V	32.3	Very low	33.5	Very low	151 Å²	151	145.2 Å²	145.2	92%	0.915	82%	0.823	S	S	*	*			trans	-67.1	120.5	177.7	175.3	0	0	0	0	110.2
327	A	31.5	Very low	32.5	Very low	81 Å²	81	139.6 Å²	139.6	67%	0.669	81%	0.81	S	S	*	*			trans	173.5	125.9	131.9	0	0	0	0	0	115.1	G325	G325-A327 PolarHBondContact O-N 3.2Å
328	L	31.6	Very low	32	Very low	173 Å²	173	137 Å²	137	91%	0.906	81%	0.807	S	S	*	*			trans	44.8	122.8	132.1	-65.6	159.8	0	0	0	122.3
329	T	29.1	Very low	31.2	Very low	120 Å²	120	132.1 Å²	132.1	74%	0.736	80%	0.799	S	S	*	*			trans	-85	156.6	150.4	51.2	0	0	0	0	110.1
330	N	29.7	Very low	30.9	Very low	150 Å²	150	132 Å²	132	80%	0.802	80%	0.799	S	S	*	*			cis	-162.3	157.5	5.5	-124.9	-6.7	0	0	0	113.1
331	A	29.2	Very low	30.7	Very low	84 Å²	84	131.9 Å²	131.9	69%	0.694	81%	0.805	S	S	*	*			trans	59.2	123.6	151.7	0	0	0	0	0	119.7
332	T	29.8	Very low	30	Very low	144 Å²	144	125.5 Å²	125.5	88%	0.883	80%	0.798	S	S	*	*			cis	-165.6	151.1	46.3	44.2	0	0	0	0	112.3
333	G	26	Very low	29.9	Very low	74 Å²	74	123 Å²	123	76%	0.763	80%	0.795	S	S	*	*			trans	120.1	92.2	150.3	0	0	0	0	0	120.2
334	A	27.5	Very low	29.3	Very low	96 Å²	96	130.4 Å²	130.4	79%	0.793	80%	0.803	S	S	*	*			trans	83.6	128.6	132.6	0	0	0	0	0	123.6
335	V	28.9	Very low	29.1	Very low	117 Å²	117	124.8 Å²	124.8	71%	0.709	80%	0.796	S	S	*	*			trans	75.8	116.8	148.3	-139.6	0	0	0	0	121.9
336	E	27.4	Very low	29.1	Very low	175 Å²	175	126.8 Å²	126.8	82%	0.818	80%	0.799	S	S	*	*			trans	41.1	152.7	141	-60.1	173.9	170.1	0	0	122.5
337	S	27.6	Very low	29.3	Very low	95 Å²	95	125.3 Å²	125.3	66%	0.664	79%	0.79	S	S	*	*			cis	-169.6	159	-14.5	-94.9	0	0	0	0	111
338	T	26.8	Very low	29.4	Very low	129 Å²	129	126.3 Å²	126.3	79%	0.791	79%	0.792	S	S	*	*			trans	66	116.4	152.8	36.3	0	0	0	0	124.1
339	S	28.8	Very low	29.4	Very low	107 Å²	107	123.7 Å²	123.7	75%	0.748	79%	0.788	S	S	*	*			trans	63.8	151.3	132.9	67.4	0	0	0	0	121.7
340	Q	28	Very low	29.6	Very low	186 Å²	186	127.5 Å²	127.5	87%	0.869	79%	0.791	S	S	*	*			cis	-167.8	161.8	-11.6	-115.9	-174.9	-2.3	0	0	109.6
341	A	28.5	Very low	29.5	Very low	108 Å²	108	127.8 Å²	127.8	89%	0.893	79%	0.792	S	S	*	*			trans	62	161.9	164	0	0	0	0	0	118.2
342	G	29.1	Very low	29.8	Very low	74 Å²	74	135.2 Å²	135.2	76%	0.763	80%	0.802	S	S	*	*			cis	179.6	112.2	-6.6	0	0	0	0	0	113.1
343	D	29.3	Very low	29.7	Very low	159 Å²	159	131.7 Å²	131.7	85%	0.85	79%	0.794	S	S	*	*			trans	30.6	140.9	147.3	-159.9	30.5	0	0	0	125.1
344	R	30.1	Very low	29.9	Very low	251 Å²	251	137 Å²	137	95%	0.947	80%	0.799	S	S	*	*			trans	-164.9	131	151.3	-115.6	176.4	177.7	154.5	1.3	111.4
345	G	29.3	Very low	30.6	Very low	75 Å²	75	137.1 Å²	137.1	77%	0.773	79%	0.792	S	S	*	*			trans	-121.4	-171.3	-173.1	0	0	0	0	0	117
346	S	30.9	Very low	30.5	Very low	113 Å²	113	142 Å²	142	79%	0.79	80%	0.799	S	S	*	*			trans	-147.7	-173.7	-176.7	-151	0	0	0	0	108.9
347	V	35.3	Very low	30.6	Very low	121 Å²	121	137.3 Å²	137.3	73%	0.733	79%	0.791	S	S	*	*			cis	-163.7	153.3	29	-130.9	0	0	0	0	111
348	S	34.6	Very low	30.6	Very low	102 Å²	102	138.6 Å²	138.6	71%	0.713	79%	0.794	S	S	*	*			trans	55.3	146.4	137.6	-169.9	0	0	0	0	123
349	S	32.5	Very low	30.9	Very low	117 Å²	117	139.7 Å²	139.7	82%	0.818	79%	0.791	S	S	*	*			trans	-153.6	168.2	139	69.7	0	0	0	0	112
350	Y	32.5	Very low	30.8	Very low	201 Å²	201	145.4 Å²	145.4	79%	0.788	80%	0.796	S	S	*	*			trans	-140.1	164.2	-167.3	47.4	-98.9	0	0	0	111.2
351	D	27.6	Very low	30.8	Very low	156 Å²	156	142.6 Å²	142.6	83%	0.834	80%	0.796	S	S	*	*			trans	-156.1	172.5	150.6	-135.4	-36.1	0	0	0	114.5
352	R	34.3	Very low	30.9	Very low	240 Å²	240	144.4 Å²	144.4	91%	0.906	79%	0.791	S	S	*	*			trans	-106.9	162.6	-156.6	-74.3	171.8	161.5	176.3	-4.1	117.3
353	G	28.6	Very low	31.1	Very low	69 Å²	69	147.3 Å²	147.3	71%	0.711	79%	0.789	S	S	*	*				152.4	98.9	129.5	0	0	0	0	0	121
354	Q	30.4	Very low	31.3	Very low	186 Å²	186	148 Å²	148	87%	0.869	79%	0.787	S	S	*	*			trans	42.6	162.8	136.7	-69.8	-110.1	-39.2	0	0	123.1
355	P	41.4	Very low	31.4	Very low	99 Å²	99	142 Å²	142	64%	0.643	78%	0.784	S	S	*	*			cis	-140.7	163.7	-40.9	39.6	-22.2	0	0	0	116.4
356	Y	28.2	Very low	31.4	Very low	219 Å²	219	142 Å²	142	86%	0.859	78%	0.783	S	S	*	*			trans	36.3	125.8	147.3	-160.3	-102.7	0	0	0	122.9
357	A	28.6	Very low	31.6	Very low	77 Å²	77	144.2 Å²	144.2	64%	0.636	79%	0.787	S	S	*	*				168	131.4	114.4	0	0	0	0	0	116.3
358	T	28.7	Very low	31.9	Very low	121 Å²	121	143 Å²	143	74%	0.742	78%	0.781	S	S	*	*			trans	74.2	142.2	144.7	-41.8	0	0	0	0	122
359	E	31.2	Very low	31.8	Very low	153 Å²	153	148.4 Å²	148.4	72%	0.715	79%	0.792	S	S	*	*			trans	-95.6	-170.9	-174.1	-50.3	158.2	131.8	0	0	113.7
360	W	27.3	Very low	31.6	Very low	227 Å²	227	146.8 Å²	146.8	86%	0.86	79%	0.794	S	S	*	*			trans	86.1	111	162.4	-54.3	90.6	0	0	0	119.2
361	S	28.3	Very low	31.6	Very low	126 Å²	126	140.9 Å²	140.9	88%	0.881	79%	0.794	S	S	*	*				-159.7	141.8	128.6	-161.2	0	0	0	0	110
362	D	29.9	Very low	32	Very low	146 Å²	146	139.3 Å²	139.3	78%	0.781	80%	0.796	S	S	*	*			trans	-133.4	172.1	171.9	-156.1	-3	0	0	0	109.4
363	D	33.7	Very low	32	Very low	135 Å²	135	137.4 Å²	137.4	72%	0.722	80%	0.797	S	S	*	*			trans	75.4	96.5	173.9	-74.3	-38	0	0	0	120.9
364	E	33.8	Very low	32.2	Very low	174 Å²	174	138.2 Å²	138.2	81%	0.813	80%	0.797	S	S	*	*			trans	35.6	128.8	131.2	-63.1	-150.5	105.5	0	0	123.9
365	S	32.2	Very low	32.4	Very low	126 Å²	126	137.5 Å²	137.5	88%	0.881	80%	0.799	S	S	*	*				-152.3	109	127.5	-40.5	0	0	0	0	111.3
366	G	28.7	Very low	32.2	Very low	73 Å²	73	136.8 Å²	136.8	75%	0.753	81%	0.809	S	S	*	*			trans	-78.7	174.3	-164.8	0	0	0	0	0	119.8
367	N	35.2	Very low	32.4	Very low	161 Å²	161	129.7 Å²	129.7	86%	0.861	80%	0.803	S	S	*	*			trans	-161.6	152.4	131	-153.1	42.7	0	0	0	109.2
368	P	42.4	Very low	32.8	Very low	94 Å²	94	130.9 Å²	130.9	61%	0.61	81%	0.813	S	S	*	*			trans	-97.8	172.2	-165.5	37.7	-34.3	0	0	0	115.1
369	F	32.4	Very low	33.3	Very low	216 Å²	216	130.2 Å²	130.2	95%	0.947	81%	0.805	S	S	*	*			trans	84.7	114.8	-177.5	-69.2	-87.7	0	0	0	116.4
370	G	28.8	Very low	33.9	Very low	83 Å²	83	128.7 Å²	128.7	86%	0.856	81%	0.808	S	S	*	*			trans	145.8	91.3	175.1	0	0	0	0	0	110.8
371	G	32.8	Very low	34.5	Very low	77 Å²	77	126.8 Å²	126.8	79%	0.794	81%	0.806	S	S	*	*			trans	-96.4	147.3	-179.7	0	0	0	0	0	113.1
372	S	35.5	Very low	35.2	Very low	124 Å²	124	128.4 Å²	128.4	87%	0.867	80%	0.8	S	S	*	*			trans	73.4	103.1	157.3	-162.4	0	0	0	0	118.6
373	E	33.8	Very low	35.9	Very low	199 Å²	199	125.4 Å²	125.4	93%	0.93	78%	0.784	S	S	*	*			trans	-108.9	123.9	149.3	-72.2	-163.7	142.1	0	0	110
374	A	33	Very low	36.3	Very low	86 Å²	86	125.3 Å²	125.3	71%	0.711	78%	0.783	S	S	*	*				159	113.9	126.5	0	0	0	0	0	112.1
375	N	33.9	Very low	36.9	Very low	172 Å²	172	122.3 Å²	122.3	92%	0.92	78%	0.782	S	S	*	*			trans	48	124	153.5	-62	-23.5	0	0	0	119.9
376	G	37.3	Very low	38.5	Very low	83 Å²	83	124.6 Å²	124.6	86%	0.856	78%	0.776	S	S	*	*			cis	176.3	112.2	-0.4	0	0	0	0	0	111.6
377	G	32.1	Very low	40.7	Very low	71 Å²	71	122.5 Å²	122.5	73%	0.732	75%	0.754	S	S	*	*			trans	-142.9	132.2	167.5	0	0	0	0	0	107	N379	G377-N379 PolarHBondContact O-N 2.91Å
378	A	38.2	Very low	43.3	Very low	101 Å²	101	118.7 Å²	118.7	84%	0.835	74%	0.736	S	S	*	*			trans	-61.7	131.2	-173	0	0	0	0	0	111.1
379	N	37.8	Very low	45.8	Very low	108 Å²	108	117.9 Å²	117.9	58%	0.578	72%	0.721	S	S	*	*			trans	-64.9	134	172.4	-87.6	-39.3	0	0	0	109.4	G377 F381 E382	G377-N379 PolarHBondContact O-N 2.91Å; N379-F381 PolarHBondContact O-N 3.2Å; N379-E382 PolarHBondContact O-N 3.37Å
380	P	44.2	Very low	48.8	Very low	120 Å²	120	107.9 Å²	107.9	78%	0.779	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	15.8	177.4	29	-33.2	0	0	0	114.1
381	F	40.4	Very low	52	Low	187 Å²	187	107.8 Å²	107.8	82%	0.82	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.1	6.8	177.9	-69.7	-79.6	0	0	0	113.3	N379	N379-F381 PolarHBondContact O-N 3.2Å
382	E	43	Very low	55	Low	161 Å²	161	104.2 Å²	104.2	75%	0.752	61%	0.614	S	S	*	*			trans	-110.9	65.2	174.7	-68.5	-169.4	140.3	0	0	112.1	N379	N379-E382 PolarHBondContact O-N 3.37Å
383	D	44.2	Very low	57.7	Low	83 Å²	83	101.5 Å²	101.5	44%	0.444	59%	0.59	S	S	.	*			trans	-141.9	67.8	161	-165.8	29.3	0	0	0	111.4	R427	D383-R427 PolarHBondContact O-NH2 3.16Å; D383-R427 VanDerWaalsContact O-NH2 3.11Å
384	D	42.9	Very low	60.6	Low	133 Å²	133	98.5 Å²	98.5	71%	0.711	57%	0.571	S	S	*	*	S	Bend	trans	-111.5	15	174.8	-92.3	11.1	0	0	0	112.4	R427	D384-R427 IonicContact OD1-CZ 3.5Å; D384-R427 IonicContact OD1-NH1 2.92Å; D384-R427 PolarHBondContact OD1-NH1 2.9Å; D384-R427 IonicContact OD1-NH2 2.84Å
385	S	46.9	Very low	63.5	Low	111 Å²	111	98.3 Å²	98.3	78%	0.776	56%	0.558	S	S	*	*	S	Bend	trans	-131	8.1	-173.1	58.5	0	0	0	0	116.5
386	K	64.2	Low	66.5	Low	174 Å²	174	91.4 Å²	91.4	76%	0.757	52%	0.519	S	S	*	.	S	Bend	trans	-119.1	3.4	177.1	-74.9	-176	178.2	175.3	0	115.9
387	G	76.2	Confident	69.3	Low	28 Å²	28	92 Å²	92	29%	0.289	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-88.6	145	177	0	0	0	0	0	113.4	K414	G387-K414 CarbonylContact C-O 3.51Å; G387-K414 WeakPolarHBondContact CA-O 3.34Å
388	V	90	Very high	72.1	Confident	82 Å²	82	89.8 Å²	89.8	50%	0.497	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	131.9	172.9	179.6	0	0	0	0	108.8	V390 K414	V388-V390 HydrophobicContact CG1-CG1 4.36Å; V388-K414 HydrophobicContact CB-CB 4.46Å; V388-K414 PolarHBondContact N-O 3.07Å; V388-K414 PolarHBondContact O-N 2.97Å
389	R	94.3	Very high	74.6	Confident	77 Å²	77	92.5 Å²	92.5	29%	0.291	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	130.6	173	-71.2	-65.2	-71.5	-174.6	-12.3	110.1	E411 T413 D429 I444	R389-E411 IonicContact CZ-OE2 3.47Å; R389-E411 IonicContact NE-OE2 2.69Å; R389-E411 IonicContact NH2-OE2 3.09Å; R389-E411 PolarHBondContact NH2-OE2 2.85Å; R389-T413 PolarHBondContact NH1-OG1 3.14Å; R389-D429 IonicContact CZ-OD1 3.3Å; R389-D429 IonicContact CZ-OD2 2.72Å; R389-D429 IonicContact NH1-OD1 3.01Å; R389-D429 PolarHBondContact NH1-OD1 2.69Å; R389-D429 IonicContact NH1-OD2 3.75Å; R389-D429 IonicContact NH2-OD1 3.76Å; R389-D429 PolarHBondContact NH2-OD1 2.77Å; R389-D429 IonicContact NH2-OD2 3.79Å; R389-D429 PolarHBondContact NH2-OD2 2.76Å; R389-I444 HydrophobicContact CB-CB 4.47Å; R389-I444 HydrophobicContact CB-CD1 4.28Å; R389-I444 PolarHBondContact O-N 3.03Å
390	V	95.1	Very high	77	Confident	5 Å²	5	93.9 Å²	93.9	3%	0.03	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.9	178.3	-55.1	0	0	0	0	109.9	V388 E411 L412 K414 V441 E442	V388-V390 HydrophobicContact CG1-CG1 4.36Å; V390-E411 WeakPolarHBondContact O-CA 3.26Å; V390-L412 HydrophobicContact CG2-CD1 3.79Å; V390-L412 HydrophobicContact CG2-CD2 4.24Å; V390-L412 HydrophobicContact CG2-CG 3.6Å; V390-L412 PolarHBondContact N-O 3.22Å; V390-L412 PolarHBondContact O-N 2.75Å; V390-K414 HydrophobicContact CG1-CB 4.05Å; V390-K414 HydrophobicContact CG2-CB 4.43Å; V390-V441 HydrophobicContact CB-CB 3.98Å; V390-V441 HydrophobicContact CB-CG2 3.84Å; V390-V441 HydrophobicContact CG1-CG2 4.29Å; V390-V441 HydrophobicContact CG2-CB 3.87Å; V390-V441 HydrophobicContact CG2-CG1 4.11Å; V390-V441 HydrophobicContact CG2-CG2 3.74Å; V390-E442 CarbonylContact C-O 3.48Å; V390-E442 WeakPolarHBondContact CA-O 3.28Å; V390-E442 VanDerWaalsContact CB-O 3.25Å; V390-E442 WeakPolarHBondContact CB-O 3.45Å
391	R	95.8	Very high	79	Confident	81 Å²	81	98.1 Å²	98.1	31%	0.306	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135	178	-177.3	175.2	-65.4	125.9	6.9	110.2	L393 D410 E411 V441 E442 I444	R391-L393 PolarHBondContact O-N 3.36Å; R391-D410 CarbonylContact C-O 3.6Å; R391-D410 WeakPolarHBondContact CA-O 3.44Å; R391-E411 IonicContact CZ-OE1 2.86Å; R391-E411 IonicContact NE-OE1 3.91Å; R391-E411 IonicContact NH2-OE1 3.93Å; R391-E411 PolarHBondContact NH2-OE1 2.96Å; R391-V441 CarbonylContact O-C 3.6Å; R391-V441 WeakPolarHBondContact O-CA 3.39Å; R391-V441 WeakPolarHBondContact O-CB 3.37Å; R391-E442 HydrophobicContact CB-CG 4.19Å; R391-E442 PolarHBondContact N-O 3.47Å; R391-E442 IonicContact NH1-OE1 3.76Å; R391-E442 PolarHBondContact O-N 3.3Å; R391-I444 HydrophobicContact CB-CD1 3.85Å; R391-I444 HydrophobicContact CB-CG1 3.95Å
392	A	95.6	Very high	81.4	Confident	3 Å²	3	93.3 Å²	93.3	3%	0.025	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	124.6	172.9	0	0	0	0	0	111.5	F406 K407 G409 D410	A392-F406 HydrophobicContact CB-CD2 3.43Å; A392-F406 VanDerWaalsContact CB-CD2 3.43Å; A392-F406 HydrophobicContact CB-CE2 3.66Å; A392-F406 HydrophobicContact CB-CG 4.5Å; A392-K407 WeakPolarHBondContact CB-O 3.22Å; A392-G409 PolarHBondContact O-N 3.3Å; A392-D410 HydrophobicContact CB-CB 4.46Å; A392-D410 PolarHBondContact N-O 3.3Å
393	L	94.1	Very high	83.9	Confident	67 Å²	67	86.7 Å²	86.7	35%	0.351	44%	0.44	S	S	.	.	S	Bend	trans	-83.2	-27	175.1	-66.9	174.5	0	0	0	112.2	R391 Y440 E442	R391-L393 PolarHBondContact O-N 3.36Å; L393-Y440 PolarHBondContact N-O 2.97Å; L393-E442 HydrophobicContact CD1-CB 4.32Å; L393-E442 HydrophobicContact CD2-CB 4.1Å; L393-E442 HydrophobicContact CD2-CG 3.76Å; L393-E442 HydrophobicContact CG-CB 4.29Å; L393-E442 HydrophobicContact CG-CG 4.29Å
394	Y	93.3	Very high	86.3	Confident	135 Å²	135	82.8 Å²	82.8	53%	0.529	42%	0.419	S	S	.	.	S	Bend	trans	-140.1	158.4	-175.2	-50.1	-73.1	0	0	0	110.8	Y440	Y394-Y440 HydrophobicContact CD2-CD1 4.25Å; Y394-Y440 HydrophobicContact CD2-CG 4.33Å
395	D	95.3	Very high	88.8	Confident	83 Å²	83	79.2 Å²	79.2	44%	0.444	40%	0.404	S	S	.	.			trans	-62	138.9	165.4	-83.8	24.9	0	0	0	110.7	K407 A408	D395-K407 HydrophobicContact CB-CD 4.24Å; D395-K407 WeakPolarHBondContact OD1-CA 3.33Å; D395-K407 WeakPolarHBondContact OD1-CD 3.33Å; D395-K407 WeakPolarHBondContact OD2-CD 3.49Å; D395-K407 WeakPolarHBondContact OD2-CE 3.41Å; D395-K407 IonicContact OD2-NZ 2.8Å; D395-K407 PolarHBondContact OD2-NZ 3.37Å; D395-A408 PolarHBondContact OD1-N 2.93Å
396	Y	95.6	Very high	91.1	Very high	27 Å²	27	74.3 Å²	74.3	11%	0.106	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-138.7	121.8	174.7	-172	-104.6	0	0	0	110.2	E403 L404 S405 F406 W423 P437 Y440	Y396-E403 PolarHBondContact OH-OE2 3Å; Y396-L404 WeakPolarHBondContact CD1-O 3.35Å; Y396-L404 VanDerWaalsContact CE1-O 3.26Å; Y396-L404 WeakPolarHBondContact CE1-O 3.26Å; Y396-S405 CarbonylContact O-C 3.54Å; Y396-S405 VanDerWaalsContact O-CA 3.25Å; Y396-S405 WeakPolarHBondContact O-CA 3.38Å; Y396-F406 HydrophobicContact CD1-CD1 4.47Å; Y396-F406 AromaticContact CD1-CE1 3.81Å; Y396-F406 HydrophobicContact CD1-CE1 3.81Å; Y396-F406 HydrophobicContact CD1-CZ 4.07Å; Y396-F406 HydrophobicContact CG-CE1 4.18Å; Y396-F406 AromaticContact CG-CZ 3.98Å; Y396-F406 HydrophobicContact CG-CZ 3.98Å; Y396-F406 PolarHBondContact N-O 2.95Å; Y396-F406 PolarHBondContact O-N 3.2Å; Y396-F406 VanDerWaalsContact O-O 3.11Å; Y396-W423 WeakPolarHBondContact OH-CH2 3.32Å; Y396-W423 WeakPolarHBondContact OH-CZ3 3.4Å; Y396-P437 HydrophobicContact CD2-CG 4.06Å; Y396-P437 HydrophobicContact CE2-CG 3.54Å; Y396-Y440 AromaticContact CD2-CD1 3.94Å; Y396-Y440 HydrophobicContact CD2-CD1 3.94Å; Y396-Y440 AromaticContact CD2-CE1 3.84Å; Y396-Y440 HydrophobicContact CD2-CE1 3.84Å; Y396-Y440 HydrophobicContact CG-CD1 4.34Å
397	D	95.5	Very high	92.5	Very high	96 Å²	96	70.2 Å²	70.2	51%	0.513	35%	0.351	S	S	.	.			trans	-111.8	111.1	175.3	-60.3	-48.3	0	0	0	107.7	Q399 K407	D397-Q399 PolarHBondContact O-NE2 3.43Å; D397-K407 IonicContact OD1-NZ 3.73Å; D397-K407 PolarHBondContact OD1-NZ 2.78Å; D397-K407 VanDerWaalsContact OD1-NZ 3.16Å; D397-K407 IonicContact OD2-NZ 3.21Å
398	G	92.6	Very high	93.4	Very high	24 Å²	24	71.5 Å²	71.5	25%	0.247	36%	0.359	C	S	.	.			trans	-64.6	138.8	-174	0	0	0	0	0	112.9	E403 S405	G398-E403 VanDerWaalsContact CA-OE2 3.27Å; G398-E403 WeakPolarHBondContact CA-OE2 3.4Å; G398-S405 PolarHBondContact N-OG 2.96Å
399	Q	89.6	Confident	93.5	Very high	158 Å²	158	69.6 Å²	69.6	74%	0.738	36%	0.356	S	S	*	.	S	Bend	trans	-95.4	-34.3	-176.5	-57.3	-58.9	-64.8	0	0	112.5	D397 E403	D397-Q399 PolarHBondContact O-NE2 3.43Å; Q399-E403 PolarHBondContact N-OE2 2.98Å
400	E	88.7	Confident	93.5	Very high	137 Å²	137	69.4 Å²	69.4	64%	0.64	36%	0.361	S	S	*	.	S	Bend	trans	-107.4	164.6	177.4	-58.6	-159.3	-164.7	0	0	112.6	D402 E403	E400-D402 VanDerWaalsContact C-N 3.26Å; E400-D402 PolarHBondContact O-N 3.17Å; E400-E403 HydrophobicContact CB-CG 4.28Å; E400-E403 PolarHBondContact N-OE1 3.42Å; E400-E403 PolarHBondContact O-N 3.16Å
401	Q	85.9	Confident	93.5	Very high	208 Å²	208	72.4 Å²	72.4	97%	0.972	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.9	-169.8	-69.9	-173.8	3.5	0	0	114.5
402	D	91.3	Very high	93.4	Very high	87 Å²	87	68.5 Å²	68.5	47%	0.465	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-1.2	177	60.4	-36.5	0	0	0	113.1	E400 G434 L435	E400-D402 VanDerWaalsContact C-N 3.26Å; E400-D402 PolarHBondContact O-N 3.17Å; D402-G434 CarbonylContact O-C 3.59Å; D402-G434 WeakPolarHBondContact O-CA 3.4Å; D402-L435 PolarHBondContact O-N 3.03Å
403	E	94.6	Very high	93.4	Very high	22 Å²	22	70 Å²	70	10%	0.103	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-84.8	147	174	-64.1	-179.8	-156.5	0	0	112.5	Y396 G398 Q399 E400 W423 L435	Y396-E403 PolarHBondContact OH-OE2 3Å; G398-E403 VanDerWaalsContact CA-OE2 3.27Å; G398-E403 WeakPolarHBondContact CA-OE2 3.4Å; Q399-E403 PolarHBondContact N-OE2 2.98Å; E400-E403 HydrophobicContact CB-CG 4.28Å; E400-E403 PolarHBondContact N-OE1 3.42Å; E400-E403 PolarHBondContact O-N 3.16Å; E403-W423 HydrophobicContact CG-CH2 4.1Å; E403-W423 HydrophobicContact CG-CZ3 3.9Å; E403-L435 CarbonylContact C-O 3.4Å; E403-L435 WeakPolarHBondContact CA-O 3.26Å
404	L	94.3	Very high	93.4	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.364	C	S	.	.			trans	-81.6	158	170.9	-66.7	178.5	0	0	0	111.3	Y396 F406 L428 Q432 L435 Y436	Y396-L404 WeakPolarHBondContact CD1-O 3.35Å; Y396-L404 VanDerWaalsContact CE1-O 3.26Å; Y396-L404 WeakPolarHBondContact CE1-O 3.26Å; L404-F406 HydrophobicContact CB-CD1 4.09Å; L404-F406 HydrophobicContact CB-CE1 4.3Å; L404-L428 HydrophobicContact CD1-CD2 4.26Å; L404-L428 HydrophobicContact CD1-CG 4.2Å; L404-L428 HydrophobicContact CD2-CD1 4.2Å; L404-L428 HydrophobicContact CD2-CG 4.07Å; L404-Q432 HydrophobicContact CD2-CB 4.38Å; L404-Q432 HydrophobicContact CD2-CG 3.86Å; L404-L435 PolarHBondContact N-O 3.49Å; L404-Y436 HydrophobicContact CD1-CD1 4.28Å
405	S	95.4	Very high	93.3	Very high	59 Å²	59	65.7 Å²	65.7	41%	0.413	35%	0.352	S	S	.	.			trans	-127.1	133.2	167	-56.8	0	0	0	0	109.5	Y396 G398	Y396-S405 CarbonylContact O-C 3.54Å; Y396-S405 VanDerWaalsContact O-CA 3.25Å; Y396-S405 WeakPolarHBondContact O-CA 3.38Å; G398-S405 PolarHBondContact N-OG 2.96Å
406	F	95.1	Very high	92.9	Very high	7 Å²	7	63.3 Å²	63.3	3%	0.031	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-156.8	166.5	-174.4	52.7	-96.4	0	0	0	111.7	A392 Y396 L404 D410 L428 Y436	A392-F406 HydrophobicContact CB-CD2 3.43Å; A392-F406 VanDerWaalsContact CB-CD2 3.43Å; A392-F406 HydrophobicContact CB-CE2 3.66Å; A392-F406 HydrophobicContact CB-CG 4.5Å; Y396-F406 HydrophobicContact CD1-CD1 4.47Å; Y396-F406 AromaticContact CD1-CE1 3.81Å; Y396-F406 HydrophobicContact CD1-CE1 3.81Å; Y396-F406 HydrophobicContact CD1-CZ 4.07Å; Y396-F406 HydrophobicContact CG-CE1 4.18Å; Y396-F406 AromaticContact CG-CZ 3.98Å; Y396-F406 HydrophobicContact CG-CZ 3.98Å; Y396-F406 PolarHBondContact N-O 2.95Å; Y396-F406 PolarHBondContact O-N 3.2Å; Y396-F406 VanDerWaalsContact O-O 3.11Å; L404-F406 HydrophobicContact CB-CD1 4.09Å; L404-F406 HydrophobicContact CB-CE1 4.3Å; F406-D410 HydrophobicContact CB-CB 4.34Å; F406-L428 HydrophobicContact CB-CD2 4.15Å; F406-L428 HydrophobicContact CD1-CD2 4.44Å; F406-Y436 HydrophobicContact CE1-CG 4.36Å
407	K	95.4	Very high	92.4	Very high	88 Å²	88	70.6 Å²	70.6	38%	0.383	38%	0.382	S	S	.	.			trans	-112.7	154.2	-178.1	-62.8	-61.3	174	-158.6	0	112.3	A392 D395 D397 G409 D410	A392-K407 WeakPolarHBondContact CB-O 3.22Å; D395-K407 HydrophobicContact CB-CD 4.24Å; D395-K407 WeakPolarHBondContact OD1-CA 3.33Å; D395-K407 WeakPolarHBondContact OD1-CD 3.33Å; D395-K407 WeakPolarHBondContact OD2-CD 3.49Å; D395-K407 WeakPolarHBondContact OD2-CE 3.41Å; D395-K407 IonicContact OD2-NZ 2.8Å; D395-K407 PolarHBondContact OD2-NZ 3.37Å; D397-K407 IonicContact OD1-NZ 3.73Å; D397-K407 PolarHBondContact OD1-NZ 2.78Å; D397-K407 VanDerWaalsContact OD1-NZ 3.16Å; D397-K407 IonicContact OD2-NZ 3.21Å; K407-G409 PolarHBondContact O-N 3.42Å; K407-D410 PolarHBondContact N-OD2 3.32Å; K407-D410 VanDerWaalsContact O-CB 3.25Å; K407-D410 WeakPolarHBondContact O-CB 3.5Å; K407-D410 PolarHBondContact O-N 3.06Å
408	A	94.8	Very high	92.2	Very high	55 Å²	55	71.7 Å²	71.7	46%	0.455	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	125.6	178.4	0	0	0	0	0	110.7	D395	D395-A408 PolarHBondContact OD1-N 2.93Å
409	G	92.3	Very high	92	Very high	43 Å²	43	73.8 Å²	73.8	44%	0.443	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.4	-14	-173.7	0	0	0	0	0	115.1	A392 K407	A392-G409 PolarHBondContact O-N 3.3Å; K407-G409 PolarHBondContact O-N 3.42Å
410	D	94.3	Very high	91.8	Very high	73 Å²	73	76 Å²	76	39%	0.39	40%	0.4	S	S	.	.			trans	-63	146.9	173.5	-71.5	-14.5	0	0	0	110.9	R391 A392 F406 K407	R391-D410 CarbonylContact C-O 3.6Å; R391-D410 WeakPolarHBondContact CA-O 3.44Å; A392-D410 HydrophobicContact CB-CB 4.46Å; A392-D410 PolarHBondContact N-O 3.3Å; F406-D410 HydrophobicContact CB-CB 4.34Å; K407-D410 PolarHBondContact N-OD2 3.32Å; K407-D410 VanDerWaalsContact O-CB 3.25Å; K407-D410 WeakPolarHBondContact O-CB 3.5Å; K407-D410 PolarHBondContact O-N 3.06Å
411	E	94.5	Very high	91.7	Very high	67 Å²	67	76.9 Å²	76.9	31%	0.313	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.3	175.2	-60.7	-168.7	173.1	0	0	111.1	R389 V390 R391 I444	R389-E411 IonicContact CZ-OE2 3.47Å; R389-E411 IonicContact NE-OE2 2.69Å; R389-E411 IonicContact NH2-OE2 3.09Å; R389-E411 PolarHBondContact NH2-OE2 2.85Å; V390-E411 WeakPolarHBondContact O-CA 3.26Å; R391-E411 IonicContact CZ-OE1 2.86Å; R391-E411 IonicContact NE-OE1 3.91Å; R391-E411 IonicContact NH2-OE1 3.93Å; R391-E411 PolarHBondContact NH2-OE1 2.96Å; E411-I444 HydrophobicContact CB-CD1 4.34Å; E411-I444 VanDerWaalsContact CD-CD1 3.41Å; E411-I444 HydrophobicContact CG-CD1 3.73Å; E411-I444 WeakPolarHBondContact OE1-CD1 3.16Å
412	L	94.5	Very high	91.9	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	168.5	179.1	61.1	130.6	0	0	0	111	V390 R427 L428 Y436 V441	V390-L412 HydrophobicContact CG2-CD1 3.79Å; V390-L412 HydrophobicContact CG2-CD2 4.24Å; V390-L412 HydrophobicContact CG2-CG 3.6Å; V390-L412 PolarHBondContact N-O 3.22Å; V390-L412 PolarHBondContact O-N 2.75Å; L412-R427 WeakPolarHBondContact CA-O 3.45Å; L412-R427 WeakPolarHBondContact CB-O 3.35Å; L412-L428 HydrophobicContact CB-CD2 4.06Å; L412-Y436 HydrophobicContact CD1-CD1 3.92Å; L412-Y436 HydrophobicContact CD1-CE1 3.61Å; L412-Y436 HydrophobicContact CD1-CE2 4.35Å; L412-Y436 HydrophobicContact CD1-CG 4.4Å; L412-V441 HydrophobicContact CD2-CG1 4.13Å
413	T	95.5	Very high	92.1	Very high	34 Å²	34	66.9 Å²	66.9	21%	0.209	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	113.5	-177.3	-61	0	0	0	0	109.5	R389 L415 G426 R427	R389-T413 PolarHBondContact NH1-OG1 3.14Å; T413-L415 HydrophobicContact CG2-CD2 3.93Å; T413-G426 CarbonylContact O-C 3.57Å; T413-G426 VanDerWaalsContact O-CA 3.27Å; T413-G426 WeakPolarHBondContact O-CA 3.46Å; T413-R427 PolarHBondContact N-O 3.43Å; T413-R427 PolarHBondContact O-N 3.17Å
414	K	93.3	Very high	92.1	Very high	58 Å²	58	65.9 Å²	65.9	25%	0.252	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	123.9	174.3	178.5	169.5	178.2	163.6	0	109.8	G387 V388 V390 G416 C424 Y436	G387-K414 CarbonylContact C-O 3.51Å; G387-K414 WeakPolarHBondContact CA-O 3.34Å; V388-K414 HydrophobicContact CB-CB 4.46Å; V388-K414 PolarHBondContact N-O 3.07Å; V388-K414 PolarHBondContact O-N 2.97Å; V390-K414 HydrophobicContact CG1-CB 4.05Å; V390-K414 HydrophobicContact CG2-CB 4.43Å; K414-G416 WeakPolarHBondContact CE-O 3.45Å; K414-G416 WeakPolarHBondContact CG-O 3.11Å; K414-C424 WeakPolarHBondContact CE-SG 3.49Å; K414-C424 PolarHBondContact NZ-SG 2.77Å; K414-Y436 WeakPolarHBondContact CB-OH 3.44Å; K414-Y436 WeakPolarHBondContact CG-OH 3.34Å
415	L	90.8	Very high	92.1	Very high	54 Å²	54	72.7 Å²	72.7	28%	0.283	38%	0.378	S	S	.	.			trans	-112.3	-1.6	-172.4	-65.7	179.3	0	0	0	114.6	T413 R425 R427 L433	T413-L415 HydrophobicContact CG2-CD2 3.93Å; L415-R425 PolarHBondContact N-O 3.24Å; L415-R427 HydrophobicContact CD1-CB 4Å; L415-L433 HydrophobicContact CD1-CD2 3.4Å
416	G	86.1	Confident	92	Very high	33 Å²	33	69.9 Å²	69.9	34%	0.34	36%	0.359	S	S	.	.	S	Bend	trans	-156.5	169.5	177.7	0	0	0	0	0	111.2	K414	K414-G416 WeakPolarHBondContact CE-O 3.45Å; K414-G416 WeakPolarHBondContact CG-O 3.11Å
417	E	86.6	Confident	92	Very high	180 Å²	180	72.5 Å²	72.5	84%	0.841	37%	0.368	S	S	*	.			trans	-74	173.6	171.4	-63.4	-163.8	160	0	0	111.6
418	E	91	Very high	91.8	Very high	118 Å²	118	69.4 Å²	69.4	55%	0.551	36%	0.356	S	S	*	.			trans	-74.5	135.9	175.7	-174	177	150.9	0	0	110	W423 A438	E418-W423 WeakPolarHBondContact CA-O 3.36Å; E418-A438 HydrophobicContact CB-CB 4.28Å; E418-A438 HydrophobicContact CG-CB 3.72Å; E418-A438 VanDerWaalsContact OE2-CB 3.29Å; E418-A438 WeakPolarHBondContact OE2-CB 3.37Å
419	D	89.1	Confident	91.4	Very high	68 Å²	68	72.1 Å²	72.1	36%	0.364	36%	0.363	S	S	.	.			trans	-84.8	178.2	176.4	79	-1.6	0	0	0	113	Q421 G422 W423	D419-Q421 PolarHBondContact O-N 3.4Å; D419-Q421 WeakPolarHBondContact OD1-CA 3.4Å; D419-Q421 WeakPolarHBondContact OD1-CB 3.48Å; D419-Q421 PolarHBondContact OD1-N 2.9Å; D419-G422 PolarHBondContact O-N 2.99Å; D419-G422 PolarHBondContact OD1-N 3.03Å; D419-W423 PolarHBondContact N-O 2.94Å; D419-W423 PolarHBondContact OD1-N 3.3Å
420	E	84.7	Confident	91	Very high	205 Å²	205	74.6 Å²	74.6	96%	0.958	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-8.3	-179.9	-60.2	-175.8	171.3	0	0	114.2
421	Q	86.3	Confident	90.6	Very high	156 Å²	156	73.4 Å²	73.4	73%	0.729	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	0.4	-176.8	-67.7	162.4	96.1	0	0	112.6	D419	D419-Q421 PolarHBondContact O-N 3.4Å; D419-Q421 WeakPolarHBondContact OD1-CA 3.4Å; D419-Q421 WeakPolarHBondContact OD1-CB 3.48Å; D419-Q421 PolarHBondContact OD1-N 2.9Å
422	G	90.3	Very high	90.4	Very high	19 Å²	19	75 Å²	75	20%	0.196	39%	0.385	C	S	.	.	S	Bend	trans	90.1	15	177.8	0	0	0	0	0	114.9	D419 A438	D419-G422 PolarHBondContact O-N 2.99Å; D419-G422 PolarHBondContact OD1-N 3.03Å; G422-A438 WeakPolarHBondContact O-CB 3.37Å; G422-A438 PolarHBondContact O-N 3.01Å
423	W	95.1	Very high	90.3	Very high	66 Å²	66	79 Å²	79	25%	0.25	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	145	-177.6	-64.7	83.3	0	0	0	112.4	Y396 E403 E418 D419 L435 Y436 P437	Y396-W423 WeakPolarHBondContact OH-CH2 3.32Å; Y396-W423 WeakPolarHBondContact OH-CZ3 3.4Å; E403-W423 HydrophobicContact CG-CH2 4.1Å; E403-W423 HydrophobicContact CG-CZ3 3.9Å; E418-W423 WeakPolarHBondContact CA-O 3.36Å; D419-W423 PolarHBondContact N-O 2.94Å; D419-W423 PolarHBondContact OD1-N 3.3Å; W423-L435 HydrophobicContact CE3-CB 3.89Å; W423-L435 HydrophobicContact CZ3-CB 4.4Å; W423-Y436 VanDerWaalsContact CE3-C 3.44Å; W423-P437 HydrophobicContact CE3-CG 4.4Å; W423-P437 HydrophobicContact CH2-CG 4.36Å; W423-P437 HydrophobicContact CZ3-CG 4.1Å
424	C	93.9	Very high	90.2	Very high	1 Å²	1	77.8 Å²	77.8	1%	0.007	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.8	172.9	-78.6	0	0	0	0	110.2	K414 L435 Y436 A438	K414-C424 WeakPolarHBondContact CE-SG 3.49Å; K414-C424 PolarHBondContact NZ-SG 2.77Å; C424-L435 CarbonylContact O-C 3.57Å; C424-L435 WeakPolarHBondContact O-CA 3.35Å; C424-Y436 HydrophobicContact CB-CD1 4.35Å; C424-Y436 HydrophobicContact CB-CD2 4.45Å; C424-Y436 HydrophobicContact CB-CE1 3.71Å; C424-Y436 HydrophobicContact CB-CE2 3.81Å; C424-Y436 VanDerWaalsContact CB-CZ 3.41Å; C424-Y436 PolarHBondContact N-O 3.25Å; C424-Y436 VanDerWaalsContact O-CD1 3.22Å; C424-Y436 WeakPolarHBondContact O-CD1 3.33Å; C424-Y436 WeakPolarHBondContact O-CE1 3.37Å; C424-Y436 PolarHBondContact O-N 2.84Å; C424-A438 HydrophobicContact CB-CB 4.5Å; C424-A438 VanDerWaalsContact SG-CB 3.55Å
425	R	94.2	Very high	90.3	Very high	143 Å²	143	77.4 Å²	77.4	54%	0.54	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	132.8	169.6	-166	176.9	-176.5	-167.9	0.7	110.4	L415 L435	L415-R425 PolarHBondContact N-O 3.24Å; R425-L435 HydrophobicContact CB-CD2 4.26Å
426	G	93.4	Very high	90.5	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	169.6	-177.8	0	0	0	0	0	114.2	T413 L433 G434	T413-G426 CarbonylContact O-C 3.57Å; T413-G426 VanDerWaalsContact O-CA 3.27Å; T413-G426 WeakPolarHBondContact O-CA 3.46Å; G426-L433 WeakPolarHBondContact O-CA 3.48Å; G426-G434 PolarHBondContact N-O 3.28Å; G426-G434 PolarHBondContact O-N 3.43Å; G426-G434 VanDerWaalsContact O-N 3.14Å
427	R	95.3	Very high	91	Very high	62 Å²	62	74 Å²	74	23%	0.234	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.1	168.4	-159.2	-172.7	-54.5	168.7	10.3	110	D383 D384 L412 T413 L415 Q432 L433	D383-R427 PolarHBondContact O-NH2 3.16Å; D383-R427 VanDerWaalsContact O-NH2 3.11Å; D384-R427 IonicContact OD1-CZ 3.5Å; D384-R427 IonicContact OD1-NH1 2.92Å; D384-R427 PolarHBondContact OD1-NH1 2.9Å; D384-R427 IonicContact OD1-NH2 2.84Å; L412-R427 WeakPolarHBondContact CA-O 3.45Å; L412-R427 WeakPolarHBondContact CB-O 3.35Å; T413-R427 PolarHBondContact N-O 3.43Å; T413-R427 PolarHBondContact O-N 3.17Å; L415-R427 HydrophobicContact CD1-CB 4Å; R427-Q432 CarbonylContact C-O 3.39Å; R427-Q432 VanDerWaalsContact CA-O 3.27Å; R427-Q432 WeakPolarHBondContact CA-O 3.15Å; R427-L433 HydrophobicContact CB-CD2 3.76Å; R427-L433 HydrophobicContact CG-CD2 3.73Å; R427-L433 HydrophobicContact CG-CG 4.07Å
428	L	92.2	Very high	91.3	Very high	22 Å²	22	66.1 Å²	66.1	12%	0.115	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	159.2	169.4	-60.9	179.4	0	0	0	110.5	L404 F406 L412 S430 G431 Q432	L404-L428 HydrophobicContact CD1-CD2 4.26Å; L404-L428 HydrophobicContact CD1-CG 4.2Å; L404-L428 HydrophobicContact CD2-CD1 4.2Å; L404-L428 HydrophobicContact CD2-CG 4.07Å; F406-L428 HydrophobicContact CB-CD2 4.15Å; F406-L428 HydrophobicContact CD1-CD2 4.44Å; L412-L428 HydrophobicContact CB-CD2 4.06Å; L428-S430 WeakPolarHBondContact CB-OG 3.46Å; L428-S430 PolarHBondContact O-N 2.8Å; L428-S430 VanDerWaalsContact O-N 3.1Å; L428-G431 WeakPolarHBondContact O-CA 3.46Å; L428-G431 PolarHBondContact O-N 2.77Å; L428-Q432 HydrophobicContact CD1-CB 4.39Å; L428-Q432 PolarHBondContact N-O 2.94Å
429	D	86	Confident	91.4	Very high	112 Å²	112	65.9 Å²	65.9	60%	0.599	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-14.4	175.3	-71.8	-10.1	0	0	0	113.3	R389 G431	R389-D429 IonicContact CZ-OD1 3.3Å; R389-D429 IonicContact CZ-OD2 2.72Å; R389-D429 IonicContact NH1-OD1 3.01Å; R389-D429 PolarHBondContact NH1-OD1 2.69Å; R389-D429 IonicContact NH1-OD2 3.75Å; R389-D429 IonicContact NH2-OD1 3.76Å; R389-D429 PolarHBondContact NH2-OD1 2.77Å; R389-D429 IonicContact NH2-OD2 3.79Å; R389-D429 PolarHBondContact NH2-OD2 2.76Å; D429-G431 PolarHBondContact O-N 2.99Å
430	S	84.9	Confident	91.7	Very high	96 Å²	96	66.2 Å²	66.2	67%	0.671	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-7.6	167.6	63.2	0	0	0	0	114.4	L428	L428-S430 WeakPolarHBondContact CB-OG 3.46Å; L428-S430 PolarHBondContact O-N 2.8Å; L428-S430 VanDerWaalsContact O-N 3.1Å
431	G	85.1	Confident	92.1	Very high	47 Å²	47	57.4 Å²	57.4	49%	0.485	30%	0.301	S	S	.	.	S	Bend	trans	87.3	-6.4	-174	0	0	0	0	0	114.9	L428 D429 L433	L428-G431 WeakPolarHBondContact O-CA 3.46Å; L428-G431 PolarHBondContact O-N 2.77Å; D429-G431 PolarHBondContact O-N 2.99Å; G431-L433 PolarHBondContact O-N 3.09Å
432	Q	89.7	Confident	92.5	Very high	101 Å²	101	54.2 Å²	54.2	47%	0.472	29%	0.287	S	S	.	.			trans	-66.7	130.4	178.8	-172.7	176.3	-6.8	0	0	111.4	L404 R427 L428	L404-Q432 HydrophobicContact CD2-CB 4.38Å; L404-Q432 HydrophobicContact CD2-CG 3.86Å; R427-Q432 CarbonylContact C-O 3.39Å; R427-Q432 VanDerWaalsContact CA-O 3.27Å; R427-Q432 WeakPolarHBondContact CA-O 3.15Å; L428-Q432 HydrophobicContact CD1-CB 4.39Å; L428-Q432 PolarHBondContact N-O 2.94Å
433	L	93.3	Very high	92.5	Very high	83 Å²	83	56.9 Å²	56.9	44%	0.435	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	141.9	176.3	-74.4	165.7	0	0	0	110.4	L415 G426 R427 G431	L415-L433 HydrophobicContact CD1-CD2 3.4Å; G426-L433 WeakPolarHBondContact O-CA 3.48Å; R427-L433 HydrophobicContact CB-CD2 3.76Å; R427-L433 HydrophobicContact CG-CD2 3.73Å; R427-L433 HydrophobicContact CG-CG 4.07Å; G431-L433 PolarHBondContact O-N 3.09Å
434	G	93.9	Very high	92	Very high	9 Å²	9	59.4 Å²	59.4	9%	0.093	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	-173.3	175.4	0	0	0	0	0	113.5	D402 G426	D402-G434 CarbonylContact O-C 3.59Å; D402-G434 WeakPolarHBondContact O-CA 3.4Å; G426-G434 PolarHBondContact N-O 3.28Å; G426-G434 PolarHBondContact O-N 3.43Å; G426-G434 VanDerWaalsContact O-N 3.14Å
435	L	95.3	Very high	92	Very high	51 Å²	51	62.4 Å²	62.4	27%	0.267	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	150.6	175.7	-61.5	179.1	0	0	0	111.3	D402 E403 L404 W423 C424 R425	D402-L435 PolarHBondContact O-N 3.03Å; E403-L435 CarbonylContact C-O 3.4Å; E403-L435 WeakPolarHBondContact CA-O 3.26Å; L404-L435 PolarHBondContact N-O 3.49Å; W423-L435 HydrophobicContact CE3-CB 3.89Å; W423-L435 HydrophobicContact CZ3-CB 4.4Å; C424-L435 CarbonylContact O-C 3.57Å; C424-L435 WeakPolarHBondContact O-CA 3.35Å; R425-L435 HydrophobicContact CB-CD2 4.26Å
436	Y	94.8	Very high	91.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	155.2	171.1	67.8	-85.9	0	0	0	111	L404 F406 L412 K414 W423 C424 A438 V441	L404-Y436 HydrophobicContact CD1-CD1 4.28Å; F406-Y436 HydrophobicContact CE1-CG 4.36Å; L412-Y436 HydrophobicContact CD1-CD1 3.92Å; L412-Y436 HydrophobicContact CD1-CE1 3.61Å; L412-Y436 HydrophobicContact CD1-CE2 4.35Å; L412-Y436 HydrophobicContact CD1-CG 4.4Å; K414-Y436 WeakPolarHBondContact CB-OH 3.44Å; K414-Y436 WeakPolarHBondContact CG-OH 3.34Å; W423-Y436 VanDerWaalsContact CE3-C 3.44Å; C424-Y436 HydrophobicContact CB-CD1 4.35Å; C424-Y436 HydrophobicContact CB-CD2 4.45Å; C424-Y436 HydrophobicContact CB-CE1 3.71Å; C424-Y436 HydrophobicContact CB-CE2 3.81Å; C424-Y436 VanDerWaalsContact CB-CZ 3.41Å; C424-Y436 PolarHBondContact N-O 3.25Å; C424-Y436 VanDerWaalsContact O-CD1 3.22Å; C424-Y436 WeakPolarHBondContact O-CD1 3.33Å; C424-Y436 WeakPolarHBondContact O-CE1 3.37Å; C424-Y436 PolarHBondContact O-N 2.84Å; Y436-A438 PolarHBondContact O-N 3.16Å; Y436-V441 HydrophobicContact CD2-CG1 3.86Å; Y436-V441 HydrophobicContact CE2-CB 4.3Å; Y436-V441 HydrophobicContact CE2-CG1 3.64Å; Y436-V441 HydrophobicContact CE2-CG2 3.6Å
437	P	95.4	Very high	91.7	Very high	14 Å²	14	61.3 Å²	61.3	9%	0.091	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	127.1	177.5	-19.1	32.2	0	0	0	111.5	Y396 W423 N439 Y440	Y396-P437 HydrophobicContact CD2-CG 4.06Å; Y396-P437 HydrophobicContact CE2-CG 3.54Å; W423-P437 HydrophobicContact CE3-CG 4.4Å; W423-P437 HydrophobicContact CH2-CG 4.36Å; W423-P437 HydrophobicContact CZ3-CG 4.1Å; P437-N439 VanDerWaalsContact CB-OD1 3.31Å; P437-N439 WeakPolarHBondContact CB-OD1 3.48Å; P437-N439 PolarHBondContact O-N 3.22Å; P437-N439 VanDerWaalsContact O-N 3.12Å; P437-Y440 HydrophobicContact CB-CD2 3.74Å; P437-Y440 HydrophobicContact CB-CE2 4.33Å; P437-Y440 HydrophobicContact CB-CG 4.28Å; P437-Y440 HydrophobicContact CG-CD2 4.15Å; P437-Y440 HydrophobicContact CG-CG 4.44Å; P437-Y440 WeakPolarHBondContact O-CB 3.37Å; P437-Y440 PolarHBondContact O-N 3.18Å
438	A	93	Very high	91.5	Very high	15 Å²	15	61.3 Å²	61.3	12%	0.124	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-59.9	-29.2	-174.3	0	0	0	0	0	113.5	E418 G422 C424 Y436 Y440	E418-A438 HydrophobicContact CB-CB 4.28Å; E418-A438 HydrophobicContact CG-CB 3.72Å; E418-A438 VanDerWaalsContact OE2-CB 3.29Å; E418-A438 WeakPolarHBondContact OE2-CB 3.37Å; G422-A438 WeakPolarHBondContact O-CB 3.37Å; G422-A438 PolarHBondContact O-N 3.01Å; C424-A438 HydrophobicContact CB-CB 4.5Å; C424-A438 VanDerWaalsContact SG-CB 3.55Å; Y436-A438 PolarHBondContact O-N 3.16Å; A438-Y440 VanDerWaalsContact C-N 3.31Å; A438-Y440 PolarHBondContact O-N 3.28Å
439	N	94.4	Very high	91.5	Very high	114 Å²	114	63.8 Å²	63.8	61%	0.61	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-80.9	-1.5	179	65.9	-36.6	0	0	0	114.7	P437	P437-N439 VanDerWaalsContact CB-OD1 3.31Å; P437-N439 WeakPolarHBondContact CB-OD1 3.48Å; P437-N439 PolarHBondContact O-N 3.22Å; P437-N439 VanDerWaalsContact O-N 3.12Å
440	Y	94.1	Very high	91.9	Very high	75 Å²	75	60.5 Å²	60.5	29%	0.294	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-91.6	-0.5	177.4	-87.4	-121.7	0	0	0	113.4	L393 Y394 Y396 P437 A438	L393-Y440 PolarHBondContact N-O 2.97Å; Y394-Y440 HydrophobicContact CD2-CD1 4.25Å; Y394-Y440 HydrophobicContact CD2-CG 4.33Å; Y396-Y440 AromaticContact CD2-CD1 3.94Å; Y396-Y440 HydrophobicContact CD2-CD1 3.94Å; Y396-Y440 AromaticContact CD2-CE1 3.84Å; Y396-Y440 HydrophobicContact CD2-CE1 3.84Å; Y396-Y440 HydrophobicContact CG-CD1 4.34Å; P437-Y440 HydrophobicContact CB-CD2 3.74Å; P437-Y440 HydrophobicContact CB-CE2 4.33Å; P437-Y440 HydrophobicContact CB-CG 4.28Å; P437-Y440 HydrophobicContact CG-CD2 4.15Å; P437-Y440 HydrophobicContact CG-CG 4.44Å; P437-Y440 WeakPolarHBondContact O-CB 3.37Å; P437-Y440 PolarHBondContact O-N 3.18Å; A438-Y440 VanDerWaalsContact C-N 3.31Å; A438-Y440 PolarHBondContact O-N 3.28Å
441	V	94.1	Very high	92.4	Very high	19 Å²	19	58 Å²	58	12%	0.115	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	156.7	-177.8	-51	0	0	0	0	112.5	V390 R391 L412 Y436	V390-V441 HydrophobicContact CB-CB 3.98Å; V390-V441 HydrophobicContact CB-CG2 3.84Å; V390-V441 HydrophobicContact CG1-CG2 4.29Å; V390-V441 HydrophobicContact CG2-CB 3.87Å; V390-V441 HydrophobicContact CG2-CG1 4.11Å; V390-V441 HydrophobicContact CG2-CG2 3.74Å; R391-V441 CarbonylContact O-C 3.6Å; R391-V441 WeakPolarHBondContact O-CA 3.39Å; R391-V441 WeakPolarHBondContact O-CB 3.37Å; L412-V441 HydrophobicContact CD2-CG1 4.13Å; Y436-V441 HydrophobicContact CD2-CG1 3.86Å; Y436-V441 HydrophobicContact CE2-CB 4.3Å; Y436-V441 HydrophobicContact CE2-CG1 3.64Å; Y436-V441 HydrophobicContact CE2-CG2 3.6Å
442	E	94.2	Very high	92.9	Very high	90 Å²	90	58.8 Å²	58.8	42%	0.421	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	151.2	167.2	63.4	178.2	-176.2	0	0	111	V390 R391 L393	V390-E442 CarbonylContact C-O 3.48Å; V390-E442 WeakPolarHBondContact CA-O 3.28Å; V390-E442 VanDerWaalsContact CB-O 3.25Å; V390-E442 WeakPolarHBondContact CB-O 3.45Å; R391-E442 HydrophobicContact CB-CG 4.19Å; R391-E442 PolarHBondContact N-O 3.47Å; R391-E442 IonicContact NH1-OE1 3.76Å; R391-E442 PolarHBondContact O-N 3.3Å; L393-E442 HydrophobicContact CD1-CB 4.32Å; L393-E442 HydrophobicContact CD2-CB 4.1Å; L393-E442 HydrophobicContact CD2-CG 3.76Å; L393-E442 HydrophobicContact CG-CB 4.29Å; L393-E442 HydrophobicContact CG-CG 4.29Å
443	A	90.6	Very high	93.2	Very high	74 Å²	74	55.3 Å²	55.3	61%	0.612	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	144	171.2	0	0	0	0	0	111.1
444	I	85.1	Confident	93.2	Very high	120 Å²	120	52.8 Å²	52.8	62%	0.615	30%	0.295	S	S	*	.			trans	-98.4	0	-177.9	-49.5	179.6	0	0	0	111.1	R389 R391 E411	R389-I444 HydrophobicContact CB-CB 4.47Å; R389-I444 HydrophobicContact CB-CD1 4.28Å; R389-I444 PolarHBondContact O-N 3.03Å; R391-I444 HydrophobicContact CB-CD1 3.85Å; R391-I444 HydrophobicContact CB-CG1 3.95Å; E411-I444 HydrophobicContact CB-CD1 4.34Å; E411-I444 VanDerWaalsContact CD-CD1 3.41Å; E411-I444 HydrophobicContact CG-CD1 3.73Å; E411-I444 WeakPolarHBondContact OE1-CD1 3.16Å

Retrieved 444 of 444 residues in 77.6 ms (Link to these results)

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